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Toll-like receptor 3

Key component of innate and adaptive immunity. TLRs (Toll-like receptors) control host immune response against pathogens through recognition of molecular patterns specific to microorganisms. TLR3 is a nucleotide-sensing TLR which is activated by double-stranded RNA, a sign of viral infection. Acts via the adapter TRIF/TICAM1, leading to NF-kappa-B activation, IRF3 nuclear translocation, cytokine secretion and the inflammatory response.

AlphaFold DB , UniProt , Accession A0A096MRL8, Species PAPAN (Papio anubis, Olive baboon), Gene TLR3, Length 904 aa.

						>A0A096MRL8_PAPAN|A0A096MRL8|TLR3
MRQTLPYIYFWWGLLPFGMLCASSTNKCTVSQEVADCSHLKLTQVPDDLPTNITVLNLTHNQLRRLPAANFTRYSQLTILDVGFNSISKLEPELCQKLPMLKVLNLQHNELSQLSDKTFAFCTNLTELHLMSNSIQKIKSNPFVKQKNLITLDLSHNGLSSTKLGTQVQLENLQELLLSNNKIQALKSEELDILANSSLKKLELSSNQIKEFSPGCFHAIGRLLGLFLNNVQLGPSLTEKLCLELANTSIRNLSLSNSQLSTTSNTTFLGLKWTNLTMLDLSHNNLNVIGNDSFVWLPHLEYFFLEYNNIQHLLSHSLHGLFNVRYLNLKRSFTKQSISLASLPKIDDFSFQWLTCLEHLNMEDNDISGIKSNMFTGLINLKYLSLSNSFTSLQTLTNETFVSLAHSPLHILNLTKNKISKIESGAFSWLGHLEVLDLGLNEIGQELTGQEWSGLENIFEIYLSYNKYLQLTKNSFALVRSLQRLMLRRVALKNVDCSPSPFQPLGNLTILDLSNNNIANINDDMLEGLEKLEILDLQHNNLARLWKHANPGGPVYFLKGLSHLHILNLESNGFDEIPVEVFKDLSELKIIDLGLNNLNTLPESVFDNQVSLKSLNLQKNLITSVEKKVFGPAFRNLSNLDMRFNPFDCTCESIAWFVNWINKTHANIPELSSHYLCNTPPHYHGFPVRLFDTSSCKDSAPFELLFMINTSILLIFIFVVLLIHFEGWRISFYWNVSVHRVLGFREIDRQTEQFEYAAYIIHAHKDKDWVWEHFSSMEKEDQSLKFCLEERDFEAGVFELEAIVNSIKRSRKIIFIITHHLLKDPLCKRFKVHHAVQQAIEQNLDSIILIFLEEIPDYKLNHALCLRRGMFKSHCILNWPVQKERIGAFHHKLQVALGSKNSVH
					

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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	35	Very low	31.8	Very low	233 Å²	233	174.9 Å²	174.9	100%	1.148	81%	0.807	S	S	*	*				0	129.6	0	-55.2	172.5	-171.2	0	0	105.3
2	R	31	Very low	31.4	Very low	226 Å²	226	181.6 Å²	181.6	85%	0.853	82%	0.82	S	S	*	*				48.1	128.2	70.6	-69.1	-171.1	179.4	-170.6	1.1	110.9
3	Q	32.5	Very low	31.1	Very low	153 Å²	153	173.1 Å²	173.1	72%	0.715	81%	0.813	S	S	*	*			cis	-173.9	160.6	2.5	-121.2	175.5	-98	0	0	107.7
4	T	32	Very low	31.1	Very low	116 Å²	116	173.4 Å²	173.4	71%	0.712	82%	0.822	S	S	*	*			cis	-154.9	169.4	-1.1	-28.6	0	0	0	0	109.7
5	L	32.6	Very low	30.9	Very low	140 Å²	140	172.9 Å²	172.9	73%	0.733	83%	0.825	S	S	*	*			trans	-72.4	157.7	161.9	-107.8	159.7	0	0	0	111.1
6	P	43.3	Very low	31.2	Very low	121 Å²	121	169.3 Å²	169.3	79%	0.786	82%	0.82	S	S	*	*				-149.3	-179.7	78.2	41	-21.7	0	0	0	117.5
7	Y	30.2	Very low	31.2	Very low	183 Å²	183	171 Å²	171	72%	0.718	82%	0.823	S	S	*	*			trans	-65.6	156.4	176	-75.4	-108.5	0	0	0	114.8	Y9	Y7-Y9 HydrophobicContact CD1-CD2 4.23Å; Y7-Y9 HydrophobicContact CD1-CE2 4.05Å; Y7-Y9 HydrophobicContact CE1-CE2 4.13Å
8	I	29.6	Very low	31.1	Very low	163 Å²	163	165.9 Å²	165.9	84%	0.836	82%	0.823	S	S	*	*			trans	-142.6	137.7	133.3	-97.6	155.6	0	0	0	108.1
9	Y	29.7	Very low	31.1	Very low	177 Å²	177	166.1 Å²	166.1	69%	0.694	82%	0.823	S	S	*	*			trans	-89	139.8	168.6	-92.7	-104.2	0	0	0	109.8	Y7	Y7-Y9 HydrophobicContact CD1-CD2 4.23Å; Y7-Y9 HydrophobicContact CD1-CE2 4.05Å; Y7-Y9 HydrophobicContact CE1-CE2 4.13Å
10	F	27.9	Very low	31.1	Very low	201 Å²	201	166.6 Å²	166.6	88%	0.882	83%	0.828	S	S	*	*			trans	-149.8	135.6	145.3	-121	-82.7	0	0	0	110.8
11	W	25.6	Very low	31	Very low	211 Å²	211	164.8 Å²	164.8	80%	0.799	83%	0.83	S	S	*	*			trans	-86.4	150.4	170.5	-75.7	14	0	0	0	110.4
12	W	27.4	Very low	31	Very low	255 Å²	255	158 Å²	158	97%	0.966	81%	0.812	S	S	*	*				166.7	160.9	125.5	-95.7	36.9	0	0	0	109.9
13	G	27.9	Very low	31.2	Very low	71 Å²	71	152.3 Å²	152.3	73%	0.732	81%	0.806	S	S	*	*			trans	108	21.1	152.1	0	0	0	0	0	120.5	L15	G13-L15 PolarHBondContact O-N 2.84Å; G13-L15 VanDerWaalsContact O-N 3.11Å
14	L	30.4	Very low	31.5	Very low	178 Å²	178	149.8 Å²	149.8	93%	0.932	81%	0.805	S	S	*	*			trans	-71.6	101.3	159.4	-86.8	172	0	0	0	109.2
15	L	29	Very low	32.3	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-67.1	127.7	172.5	-79.7	164.4	0	0	0	109.7	G13	G13-L15 PolarHBondContact O-N 2.84Å; G13-L15 VanDerWaalsContact O-N 3.11Å
16	P	34.4	Very low	33.7	Very low	115 Å²	115	148.6 Å²	148.6	75%	0.747	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.6	154.3	-178.7	30.7	-35	0	0	0	111.6	G18	P16-G18 PolarHBondContact O-N 3.41Å
17	F	32.3	Very low	35.6	Very low	199 Å²	199	149.7 Å²	149.7	87%	0.873	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-52.4	131.7	163.2	-97.5	-117.2	0	0	0	109.9	M19	F17-M19 PolarHBondContact O-N 3.24Å
18	G	28.3	Very low	38.4	Very low	80 Å²	80	142.1 Å²	142.1	83%	0.825	77%	0.765	S	S	*	*			trans	-69.7	80.5	170.9	0	0	0	0	0	110.9	P16 L20	P16-G18 PolarHBondContact O-N 3.41Å; G18-L20 PolarHBondContact O-N 3.18Å
19	M	31.3	Very low	41.4	Very low	168 Å²	168	138 Å²	138	83%	0.828	75%	0.747	S	S	*	*			trans	-56.5	136.1	161.6	-69.1	-172.1	-175.9	0	0	108.4	F17 C21	F17-M19 PolarHBondContact O-N 3.24Å; M19-C21 PolarHBondContact O-N 3.09Å
20	L	31.6	Very low	44.4	Very low	177 Å²	177	132.8 Å²	132.8	93%	0.927	73%	0.734	S	S	*	*			trans	-56.7	112.4	172.9	-74.7	157.9	0	0	0	109	G18 A22	G18-L20 PolarHBondContact O-N 3.18Å; L20-A22 PolarHBondContact O-N 3.29Å
21	C	29.2	Very low	47.4	Very low	129 Å²	129	126.9 Å²	126.9	87%	0.872	72%	0.717	S	S	*	*			trans	-68.3	85.7	169.1	-74.2	0	0	0	0	109.1	M19 S23	M19-C21 PolarHBondContact O-N 3.09Å; C21-S23 PolarHBondContact O-N 3.44Å
22	A	34.5	Very low	50.4	Low	91 Å²	91	126 Å²	126	75%	0.752	72%	0.722	S	S	*	*			trans	-51.5	123.2	152.9	0	0	0	0	0	107.1	L20 S24	L20-A22 PolarHBondContact O-N 3.29Å; A22-S24 PolarHBondContact O-N 2.88Å
23	S	34.9	Very low	53.5	Low	106 Å²	106	118 Å²	118	74%	0.741	70%	0.695	S	S	*	*			trans	-64	108.2	-176	48.8	0	0	0	0	109.4	C21 T25	C21-S23 PolarHBondContact O-N 3.44Å; S23-T25 PolarHBondContact O-N 3.28Å
24	S	39.7	Very low	56.8	Low	100 Å²	100	117.2 Å²	117.2	70%	0.699	68%	0.676	S	S	*	*			trans	-66.3	94.4	-179.2	61.2	0	0	0	0	110	A22 N26	A22-S24 PolarHBondContact O-N 2.88Å; S24-N26 PolarHBondContact O-N 3.01Å; S24-N26 VanDerWaalsContact O-N 3.11Å
25	T	48	Very low	59.9	Low	85 Å²	85	108.7 Å²	108.7	52%	0.521	63%	0.632	S	S	.	*			trans	-64.3	109.2	167	46.6	0	0	0	0	107.6	S23 K27 L40	S23-T25 PolarHBondContact O-N 3.28Å; T25-K27 PolarHBondContact O-N 3.42Å; T25-L40 WeakPolarHBondContact O-CD2 3.44Å
26	N	62.9	Low	63.1	Low	146 Å²	146	103.7 Å²	103.7	78%	0.781	61%	0.606	S	S	*	*	S	Bend	trans	-72.3	43.5	174.1	-68.7	-14.6	0	0	0	111.6	S24	S24-N26 PolarHBondContact O-N 3.01Å; S24-N26 VanDerWaalsContact O-N 3.11Å
27	K	82.6	Confident	66.1	Low	143 Å²	143	98.2 Å²	98.2	62%	0.622	57%	0.57	S	S	*	*	S	Bend	trans	-151.6	146	-174.4	-67.8	-161.6	171.5	-147.2	0	108.5	T25	T25-K27 PolarHBondContact O-N 3.42Å
28	C	89.6	Confident	69.1	Low	25 Å²	25	90 Å²	90	17%	0.169	54%	0.537	C	S	.	.			trans	-62.4	145.6	173.6	-47.5	0	0	0	0	110.9	D36 C37 L49	C28-D36 CarbonylContact C-O 3.25Å; C28-D36 WeakPolarHBondContact CA-O 3.18Å; C28-D36 VanDerWaalsContact CB-O 3.24Å; C28-D36 WeakPolarHBondContact CB-O 3.35Å; C28-C37 HydrophobicContact CB-CB 4Å; C28-C37 WeakPolarHBondContact CB-SG 3.46Å; C28-C37 WeakPolarHBondContact SG-CB 3.5Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.97Å; C28-L49 HydrophobicContact CB-CD2 3.85Å
29	T	92.3	Very high	72.3	Confident	77 Å²	77	92 Å²	92	47%	0.472	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.1	165.6	52.5	0	0	0	0	108.8	D36	T29-D36 PolarHBondContact N-O 3.48Å; T29-D36 PolarHBondContact O-N 2.97Å
30	V	92.6	Very high	75.3	Confident	67 Å²	67	86.4 Å²	86.4	41%	0.406	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.2	177.2	-175.1	0	0	0	0	108.9	V34 A35 L49 P50 I53	V30-V34 VanDerWaalsContact CA-O 3.31Å; V30-V34 WeakPolarHBondContact CA-O 3.34Å; V30-A35 HydrophobicContact CG2-CB 4.16Å; V30-L49 HydrophobicContact CG2-CD2 4.13Å; V30-P50 HydrophobicContact CG1-CG 4.34Å; V30-I53 HydrophobicContact CG1-CG2 4.31Å
31	S	90.8	Very high	78.3	Confident	76 Å²	76	85.2 Å²	85.2	53%	0.531	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	132.1	179	53	0	0	0	0	109.5	E33 V34	S31-E33 VanDerWaalsContact C-N 3.28Å; S31-E33 PolarHBondContact O-N 3.19Å; S31-E33 VanDerWaalsContact O-N 3.16Å; S31-V34 PolarHBondContact N-O 3.12Å; S31-V34 WeakPolarHBondContact O-CB 3.37Å; S31-V34 PolarHBondContact O-N 2.87Å
32	Q	88.8	Confident	81.4	Confident	192 Å²	192	81.1 Å²	81.1	90%	0.897	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	45.7	175.9	-59.1	-179.6	-9.6	0	0	113.9	V34	Q32-V34 PolarHBondContact O-N 3.18Å; Q32-V34 VanDerWaalsContact O-N 3.13Å
33	E	92.8	Very high	84.2	Confident	87 Å²	87	81.3 Å²	81.3	41%	0.407	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	5.3	-178.4	-48.3	-168.5	139.7	0	0	116.1	S31 N52 I53 T54	S31-E33 VanDerWaalsContact C-N 3.28Å; S31-E33 PolarHBondContact O-N 3.19Å; S31-E33 VanDerWaalsContact O-N 3.16Å; E33-N52 PolarHBondContact OE1-ND2 3.43Å; E33-I53 CarbonylContact O-C 3.15Å; E33-I53 VanDerWaalsContact O-CA 3.28Å; E33-I53 WeakPolarHBondContact O-CA 3.29Å; E33-I53 WeakPolarHBondContact O-CB 3.15Å; E33-T54 HydrophobicContact CB-CG2 4.45Å; E33-T54 PolarHBondContact O-N 3.42Å
34	V	96.4	Very high	87	Confident	55 Å²	55	83.2 Å²	83.2	33%	0.333	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.4	167.1	-176.2	0	0	0	0	109.2	V30 S31 Q32 V55	V30-V34 VanDerWaalsContact CA-O 3.31Å; V30-V34 WeakPolarHBondContact CA-O 3.34Å; S31-V34 PolarHBondContact N-O 3.12Å; S31-V34 WeakPolarHBondContact O-CB 3.37Å; S31-V34 PolarHBondContact O-N 2.87Å; Q32-V34 PolarHBondContact O-N 3.18Å; Q32-V34 VanDerWaalsContact O-N 3.13Å; V34-V55 HydrophobicContact CB-CB 4.32Å; V34-V55 HydrophobicContact CG1-CB 4.08Å; V34-V55 HydrophobicContact CG1-CG1 3.97Å; V34-V55 HydrophobicContact CG2-CB 4.08Å; V34-V55 HydrophobicContact CG2-CG2 4.22Å
35	A	96.4	Very high	89.6	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	168.2	0	0	0	0	0	110.4	V30 L49 I53 V55 L56 N57	V30-A35 HydrophobicContact CG2-CB 4.16Å; A35-L49 HydrophobicContact CB-CD1 4Å; A35-L49 HydrophobicContact CB-CD2 4.45Å; A35-I53 HydrophobicContact CB-CD1 4.02Å; A35-I53 HydrophobicContact CB-CG2 4.2Å; A35-V55 PolarHBondContact N-O 3.12Å; A35-L56 HydrophobicContact CB-CD1 3.92Å; A35-N57 PolarHBondContact O-N 3.08Å
36	D	96.4	Very high	91.8	Very high	59 Å²	59	75.5 Å²	75.5	32%	0.316	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.1	173.6	-172.9	3.5	0	0	0	110.5	C28 T29 S38 N57	C28-D36 CarbonylContact C-O 3.25Å; C28-D36 WeakPolarHBondContact CA-O 3.18Å; C28-D36 VanDerWaalsContact CB-O 3.24Å; C28-D36 WeakPolarHBondContact CB-O 3.35Å; T29-D36 PolarHBondContact N-O 3.48Å; T29-D36 PolarHBondContact O-N 2.97Å; D36-S38 WeakPolarHBondContact OD1-CB 3.31Å; D36-S38 PolarHBondContact OD1-N 3.47Å; D36-S38 PolarHBondContact OD1-OG 2.6Å; D36-N57 PolarHBondContact OD1-ND2 3.06Å; D36-N57 VanDerWaalsContact OD1-ND2 3.1Å
37	C	95.8	Very high	93.2	Very high	0 Å²	0	74 Å²	74	0%	0	39%	0.385	C	S	.	.			trans	-114.9	18.8	177.1	-59.2	0	0	0	0	111.6	C28 L40 L42 N57 L58 N61	C28-C37 HydrophobicContact CB-CB 4Å; C28-C37 WeakPolarHBondContact CB-SG 3.46Å; C28-C37 WeakPolarHBondContact SG-CB 3.5Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 2.97Å; C37-L40 HydrophobicContact CB-CD1 4.32Å; C37-L42 HydrophobicContact CB-CD1 3.84Å; C37-N57 CarbonylContact C-O 3.58Å; C37-N57 WeakPolarHBondContact CA-O 3.47Å; C37-N57 VanDerWaalsContact CB-O 3.29Å; C37-N57 WeakPolarHBondContact CB-O 3.4Å; C37-N57 PolarHBondContact N-O 3.11Å; C37-L58 HydrophobicContact CB-CD2 3.64Å; C37-L58 HydrophobicContact CB-CG 4.41Å; C37-N61 PolarHBondContact O-ND2 2.78Å
38	S	95.4	Very high	93.7	Very high	27 Å²	27	72 Å²	72	19%	0.189	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	150.6	-173.4	63.1	0	0	0	0	113.5	D36 L40 T59	D36-S38 WeakPolarHBondContact OD1-CB 3.31Å; D36-S38 PolarHBondContact OD1-N 3.47Å; D36-S38 PolarHBondContact OD1-OG 2.6Å; S38-L40 PolarHBondContact O-N 3.02Å; S38-T59 VanDerWaalsContact CA-O 3.25Å; S38-T59 WeakPolarHBondContact CA-O 3.38Å; S38-T59 VanDerWaalsContact CB-OG1 3.3Å; S38-T59 WeakPolarHBondContact CB-OG1 3.38Å
39	H	95.6	Very high	93.8	Very high	121 Å²	121	71.3 Å²	71.3	56%	0.56	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	5.4	178.4	-59.5	-88.2	0	0	0	116.8	K41 T59 H60	H39-K41 PolarHBondContact O-N 2.77Å; H39-T59 PolarHBondContact N-O 3Å; H39-H60 WeakPolarHBondContact CA-O 3.39Å; H39-H60 VanDerWaalsContact CE1-CB 3.45Å; H39-H60 WeakPolarHBondContact CE1-CB 3.49Å; H39-H60 AromaticContact CE1-CD2 3.83Å; H39-H60 AromaticContact CE1-CE1 3.85Å; H39-H60 AromaticContact CE1-CG 3.25Å; H39-H60 AromaticContact CE1-ND1 3.27Å; H39-H60 PolarHBondContact CE1-ND1 3.07Å; H39-H60 VanDerWaalsContact CE1-ND1 3.27Å; H39-H60 WeakPolarHBondContact ND1-CB 3.07Å; H39-H60 AromaticContact ND1-CG 3.73Å; H39-H60 AromaticContact NE2-CE1 3.99Å; H39-H60 AromaticContact NE2-CG 3.72Å; H39-H60 AromaticContact NE2-ND1 3.31Å; H39-H60 PolarHBondContact NE2-ND1 2.66Å
40	L	94.3	Very high	93.9	Very high	51 Å²	51	70.3 Å²	70.3	27%	0.267	37%	0.371	S	S	.	.	S	Bend	trans	-75.7	1.5	-176.8	-67.3	-176.2	0	0	0	115	T25 C37 S38 L42 N61	T25-L40 WeakPolarHBondContact O-CD2 3.44Å; C37-L40 HydrophobicContact CB-CD1 4.32Å; S38-L40 PolarHBondContact O-N 3.02Å; L40-L42 HydrophobicContact CB-CD1 4.12Å; L40-L42 HydrophobicContact CB-CD2 4.23Å; L40-L42 HydrophobicContact CB-CG 3.78Å; L40-L42 HydrophobicContact CD1-CD1 4.37Å; L40-L42 PolarHBondContact O-N 2.94Å; L40-N61 PolarHBondContact N-OD1 2.99Å
41	K	94.9	Very high	94	Very high	153 Å²	153	71.1 Å²	71.1	67%	0.665	38%	0.376	S	S	*	.			trans	58.9	27.9	-177.9	-54.1	172.7	-175.5	169.3	0	113.9	H39 N61	H39-K41 PolarHBondContact O-N 2.77Å; K41-N61 PolarHBondContact N-OD1 3.02Å
42	L	94	Very high	94.2	Very high	43 Å²	43	71.1 Å²	71.1	23%	0.225	37%	0.369	C	S	.	.			trans	-63.6	132.5	-177.7	-61.5	171.3	0	0	0	111.5	C37 L40 P46 L58 N61 Q62 L63	C37-L42 HydrophobicContact CB-CD1 3.84Å; L40-L42 HydrophobicContact CB-CD1 4.12Å; L40-L42 HydrophobicContact CB-CD2 4.23Å; L40-L42 HydrophobicContact CB-CG 3.78Å; L40-L42 HydrophobicContact CD1-CD1 4.37Å; L40-L42 PolarHBondContact O-N 2.94Å; L42-P46 HydrophobicContact CD1-CG 3.88Å; L42-L58 HydrophobicContact CD1-CD2 3.93Å; L42-N61 HydrophobicContact CB-CB 4.26Å; L42-N61 PolarHBondContact N-OD1 3.32Å; L42-Q62 CarbonylContact O-C 3.36Å; L42-Q62 WeakPolarHBondContact O-CA 3.48Å; L42-Q62 PolarHBondContact O-N 3.47Å; L42-L63 PolarHBondContact O-N 3.18Å
43	T	94.8	Very high	94.5	Very high	94 Å²	94	62 Å²	62	58%	0.577	33%	0.327	S	S	*	.	S	Bend	trans	-100.5	-7.7	173.8	53.9	0	0	0	0	112.9	Q62	T43-Q62 HydrophobicContact CG2-CB 3.97Å
44	Q	93.4	Very high	94.8	Very high	146 Å²	146	59.7 Å²	59.7	68%	0.682	32%	0.319	S	S	*	.	S	Bend	trans	-139.5	158.1	178.1	-59.3	-173.7	9.9	0	0	109.9	L63	Q44-L63 VanDerWaalsContact C-CD2 3.49Å
45	V	94.8	Very high	94.9	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.042	31%	0.312	C	S	.	.			trans	-77	127.6	175.1	178.3	0	0	0	0	109	L58 L63 L66 N70 F71	V45-L58 HydrophobicContact CG1-CD1 4.29Å; V45-L58 HydrophobicContact CG2-CD1 4.28Å; V45-L63 HydrophobicContact CG2-CD1 4.38Å; V45-L66 HydrophobicContact CG2-CD2 4.01Å; V45-N70 HydrophobicContact CB-CB 4.32Å; V45-F71 HydrophobicContact CB-CE2 4.47Å; V45-F71 HydrophobicContact CB-CZ 4.41Å; V45-F71 HydrophobicContact CG1-CE1 4.21Å; V45-F71 HydrophobicContact CG1-CE2 4.27Å; V45-F71 HydrophobicContact CG1-CZ 3.89Å; V45-F71 HydrophobicContact CG2-CE2 3.81Å; V45-F71 HydrophobicContact CG2-CZ 3.73Å
46	P	93.6	Very high	94.9	Very high	17 Å²	17	58.5 Å²	58.5	11%	0.11	31%	0.312	C	S	.	.			trans	-57.3	142.8	178.8	-25.9	35.5	0	0	0	112.9	L42 L49 Y74	L42-P46 HydrophobicContact CD1-CG 3.88Å; P46-L49 HydrophobicContact CB-CD1 4.21Å; P46-L49 HydrophobicContact CB-CG 4.14Å; P46-Y74 WeakPolarHBondContact O-CE2 3.47Å; P46-Y74 PolarHBondContact O-OH 2.81Å
47	D	92.8	Very high	95	Very high	114 Å²	114	57.5 Å²	57.5	61%	0.61	31%	0.306	S	S	*	.	S	Bend	trans	-111.6	-2.2	-180	68.3	-33.3	0	0	0	113.5	R73 Y74	D47-R73 VanDerWaalsContact O-CD 3.29Å; D47-R73 WeakPolarHBondContact O-CD 3.27Å; D47-R73 VanDerWaalsContact O-CZ 3.31Å; D47-R73 PolarHBondContact O-NE 2.99Å; D47-R73 PolarHBondContact O-NH1 3.43Å; D47-Y74 VanDerWaalsContact CA-OH 3.32Å; D47-Y74 WeakPolarHBondContact CA-OH 3.03Å
48	D	91.3	Very high	95.1	Very high	102 Å²	102	57.5 Å²	57.5	55%	0.545	31%	0.306	S	S	.	.	S	Bend	trans	-97.3	-0.6	-175.9	68.9	-28.3	0	0	0	114.8
49	L	93.5	Very high	95.2	Very high	9 Å²	9	57 Å²	57	5%	0.047	30%	0.302	C	S	.	.	S	Bend	trans	-73.1	156.6	-177.7	-57.1	173.6	0	0	0	112.9	C28 V30 A35 P46 I53 L56 R73 Y74	C28-L49 HydrophobicContact CB-CD2 3.85Å; V30-L49 HydrophobicContact CG2-CD2 4.13Å; A35-L49 HydrophobicContact CB-CD1 4Å; A35-L49 HydrophobicContact CB-CD2 4.45Å; P46-L49 HydrophobicContact CB-CD1 4.21Å; P46-L49 HydrophobicContact CB-CG 4.14Å; L49-I53 HydrophobicContact CB-CD1 4.14Å; L49-I53 HydrophobicContact CD1-CD1 3.95Å; L49-L56 HydrophobicContact CD1-CD1 3.8Å; L49-R73 PolarHBondContact O-NE 2.87Å; L49-Y74 HydrophobicContact CB-CE1 3.74Å; L49-Y74 PolarHBondContact N-OH 3.03Å
50	P	93.8	Very high	95.3	Very high	57 Å²	57	55.1 Å²	55.1	37%	0.37	29%	0.293	S	S	.	.			trans	-59	144.5	173.7	-23.8	35.3	0	0	0	112.8	V30 N52 I53	V30-P50 HydrophobicContact CG1-CG 4.34Å; P50-N52 VanDerWaalsContact C-N 3.28Å; P50-N52 WeakPolarHBondContact CB-OD1 3.39Å; P50-N52 PolarHBondContact O-N 3.06Å; P50-I53 HydrophobicContact CB-CG2 4.28Å; P50-I53 WeakPolarHBondContact O-CG1 3.49Å
51	T	94.3	Very high	95.4	Very high	84 Å²	84	53.3 Å²	53.3	52%	0.515	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.3	-176.7	47.9	0	0	0	0	114.4	R73	T51-R73 HydrophobicContact CG2-CG 3.79Å
52	N	94.5	Very high	95.5	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.5	-179.6	67.4	-56.5	0	0	0	113.7	E33 P50 T54	E33-N52 PolarHBondContact OE1-ND2 3.43Å; P50-N52 VanDerWaalsContact C-N 3.28Å; P50-N52 WeakPolarHBondContact CB-OD1 3.39Å; P50-N52 PolarHBondContact O-N 3.06Å; N52-T54 PolarHBondContact O-N 2.72Å
53	I	96.8	Very high	95.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.266	C	S	.	.			trans	-63.2	134.7	176.6	61.8	175.1	0	0	0	111	V30 E33 A35 L49 P50 L56 Y74 L77	V30-I53 HydrophobicContact CG1-CG2 4.31Å; E33-I53 CarbonylContact O-C 3.15Å; E33-I53 VanDerWaalsContact O-CA 3.28Å; E33-I53 WeakPolarHBondContact O-CA 3.29Å; E33-I53 WeakPolarHBondContact O-CB 3.15Å; A35-I53 HydrophobicContact CB-CD1 4.02Å; A35-I53 HydrophobicContact CB-CG2 4.2Å; L49-I53 HydrophobicContact CB-CD1 4.14Å; L49-I53 HydrophobicContact CD1-CD1 3.95Å; P50-I53 HydrophobicContact CB-CG2 4.28Å; P50-I53 WeakPolarHBondContact O-CG1 3.49Å; I53-L56 HydrophobicContact CD1-CB 4.46Å; I53-Y74 HydrophobicContact CD1-CD1 3.81Å; I53-Y74 HydrophobicContact CD1-CE1 4.15Å; I53-Y74 HydrophobicContact CD1-CG 4.19Å; I53-Y74 HydrophobicContact CG1-CD1 4.02Å; I53-L77 HydrophobicContact CD1-CD2 4.22Å; I53-L77 HydrophobicContact CG1-CD2 3.96Å
54	T	97.3	Very high	95.7	Very high	39 Å²	39	53.5 Å²	53.5	24%	0.239	27%	0.272	C	S	.	.	S	Bend	trans	-107.4	-16.7	-178.7	55.2	0	0	0	0	112.3	E33 N52 T78 I79	E33-T54 HydrophobicContact CB-CG2 4.45Å; E33-T54 PolarHBondContact O-N 3.42Å; N52-T54 PolarHBondContact O-N 2.72Å; T54-T78 PolarHBondContact O-N 2.6Å; T54-T78 PolarHBondContact O-OG1 3.17Å; T54-I79 PolarHBondContact O-N 3.01Å
55	V	98.3	Very high	95.8	Very high	30 Å²	30	54.5 Å²	54.5	18%	0.182	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.6	176	-178.8	0	0	0	0	109.6	V34 A35 I79	V34-V55 HydrophobicContact CB-CB 4.32Å; V34-V55 HydrophobicContact CG1-CB 4.08Å; V34-V55 HydrophobicContact CG1-CG1 3.97Å; V34-V55 HydrophobicContact CG2-CB 4.08Å; V34-V55 HydrophobicContact CG2-CG2 4.22Å; A35-V55 PolarHBondContact N-O 3.12Å; V55-I79 WeakPolarHBondContact CA-O 3.04Å; V55-I79 HydrophobicContact CB-CB 4.35Å; V55-I79 HydrophobicContact CG1-CB 4.03Å; V55-I79 HydrophobicContact CG1-CG2 4.1Å; V55-I79 HydrophobicContact CG2-CB 4.07Å; V55-I79 HydrophobicContact CG2-CD1 4.05Å; V55-I79 HydrophobicContact CG2-CG1 4.21Å
56	L	98	Very high	95.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.8	174.1	176.3	56.9	0	0	0	110.6	A35 L49 I53 L58 F71 L77 I79 L80 D81	A35-L56 HydrophobicContact CB-CD1 3.92Å; L49-L56 HydrophobicContact CD1-CD1 3.8Å; I53-L56 HydrophobicContact CD1-CB 4.46Å; L56-L58 HydrophobicContact CD1-CD1 4.35Å; L56-L58 HydrophobicContact CD1-CG 4.08Å; L56-L58 HydrophobicContact CD2-CD1 3.85Å; L56-L58 HydrophobicContact CD2-CG 4.47Å; L56-L58 HydrophobicContact CG-CD1 3.89Å; L56-L58 HydrophobicContact CG-CG 4.04Å; L56-F71 HydrophobicContact CD2-CE1 4.15Å; L56-L77 HydrophobicContact CB-CD1 4.02Å; L56-L77 HydrophobicContact CB-CD2 3.67Å; L56-L77 HydrophobicContact CD2-CD1 4.01Å; L56-I79 PolarHBondContact N-O 3.25Å; L56-I79 VanDerWaalsContact N-O 3.07Å; L56-L80 HydrophobicContact CB-CD1 4.15Å; L56-L80 HydrophobicContact CD2-CD1 4.05Å; L56-L80 HydrophobicContact CG-CD1 4.1Å; L56-D81 PolarHBondContact O-N 2.83Å
57	N	98	Very high	95.9	Very high	37 Å²	37	55.6 Å²	55.6	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.3	174.9	174.4	12.1	0	0	0	110	A35 D36 C37 T59	A35-N57 PolarHBondContact O-N 3.08Å; D36-N57 PolarHBondContact OD1-ND2 3.06Å; D36-N57 VanDerWaalsContact OD1-ND2 3.1Å; C37-N57 CarbonylContact C-O 3.58Å; C37-N57 WeakPolarHBondContact CA-O 3.47Å; C37-N57 VanDerWaalsContact CB-O 3.29Å; C37-N57 WeakPolarHBondContact CB-O 3.4Å; C37-N57 PolarHBondContact N-O 3.11Å; N57-T59 WeakPolarHBondContact OD1-CB 3.32Å; N57-T59 VanDerWaalsContact OD1-CG2 3.29Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.33Å; N57-T59 PolarHBondContact OD1-N 3.2Å; N57-T59 PolarHBondContact OD1-OG1 3.34Å
58	L	97.6	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	C	.	.			trans	-117.7	25.1	177.1	-73.9	161.1	0	0	0	111.6	C37 L42 V45 L56 N61 L63 L80 D81 V82 N85	C37-L58 HydrophobicContact CB-CD2 3.64Å; C37-L58 HydrophobicContact CB-CG 4.41Å; L42-L58 HydrophobicContact CD1-CD2 3.93Å; V45-L58 HydrophobicContact CG1-CD1 4.29Å; V45-L58 HydrophobicContact CG2-CD1 4.28Å; L56-L58 HydrophobicContact CD1-CD1 4.35Å; L56-L58 HydrophobicContact CD1-CG 4.08Å; L56-L58 HydrophobicContact CD2-CD1 3.85Å; L56-L58 HydrophobicContact CD2-CG 4.47Å; L56-L58 HydrophobicContact CG-CD1 3.89Å; L56-L58 HydrophobicContact CG-CG 4.04Å; L58-N61 VanDerWaalsContact C-ND2 3.27Å; L58-N61 PolarHBondContact O-ND2 2.86Å; L58-L63 HydrophobicContact CB-CD1 4.03Å; L58-L63 HydrophobicContact CD1-CD1 4.09Å; L58-L63 HydrophobicContact CD2-CD1 4.44Å; L58-L63 HydrophobicContact CG-CD1 4.43Å; L58-L80 HydrophobicContact CD1-CD1 4.37Å; L58-D81 PolarHBondContact N-O 3.34Å; L58-V82 HydrophobicContact CB-CG1 4.11Å; L58-V82 HydrophobicContact CD1-CG1 4.09Å; L58-N85 PolarHBondContact O-ND2 3.04Å
59	T	97.8	Very high	96	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.104	25%	0.253	C	S	.	.			trans	-65	152.6	-176.2	54.3	0	0	0	0	114.1	S38 H39 N57 N61 D81 G83	S38-T59 VanDerWaalsContact CA-O 3.25Å; S38-T59 WeakPolarHBondContact CA-O 3.38Å; S38-T59 VanDerWaalsContact CB-OG1 3.3Å; S38-T59 WeakPolarHBondContact CB-OG1 3.38Å; H39-T59 PolarHBondContact N-O 3Å; N57-T59 WeakPolarHBondContact OD1-CB 3.32Å; N57-T59 VanDerWaalsContact OD1-CG2 3.29Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.33Å; N57-T59 PolarHBondContact OD1-N 3.2Å; N57-T59 PolarHBondContact OD1-OG1 3.34Å; T59-N61 VanDerWaalsContact C-N 3.34Å; T59-N61 PolarHBondContact O-N 2.03Å; T59-N61 PolarHBondContact O-ND2 2.94Å; T59-D81 HydrophobicContact CG2-CB 4.27Å; T59-D81 VanDerWaalsContact CG2-CG 3.49Å; T59-D81 WeakPolarHBondContact CG2-OD1 3.01Å; T59-G83 VanDerWaalsContact CA-O 3.24Å; T59-G83 WeakPolarHBondContact CA-O 3.44Å
60	H	97.3	Very high	95.9	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.375	27%	0.266	S	S	.	.	S	Bend	trans	56.8	43.9	176.8	-61.3	99.3	0	0	0	113.7	H39 G83 F84	H39-H60 WeakPolarHBondContact CA-O 3.39Å; H39-H60 VanDerWaalsContact CE1-CB 3.45Å; H39-H60 WeakPolarHBondContact CE1-CB 3.49Å; H39-H60 AromaticContact CE1-CD2 3.83Å; H39-H60 AromaticContact CE1-CE1 3.85Å; H39-H60 AromaticContact CE1-CG 3.25Å; H39-H60 AromaticContact CE1-ND1 3.27Å; H39-H60 PolarHBondContact CE1-ND1 3.07Å; H39-H60 VanDerWaalsContact CE1-ND1 3.27Å; H39-H60 WeakPolarHBondContact ND1-CB 3.07Å; H39-H60 AromaticContact ND1-CG 3.73Å; H39-H60 AromaticContact NE2-CE1 3.99Å; H39-H60 AromaticContact NE2-CG 3.72Å; H39-H60 AromaticContact NE2-ND1 3.31Å; H39-H60 PolarHBondContact NE2-ND1 2.66Å; H60-G83 PolarHBondContact N-O 3.03Å; H60-F84 VanDerWaalsContact CA-O 3.28Å; H60-F84 WeakPolarHBondContact CA-O 3.09Å; H60-F84 AromaticContact CD2-CG 3.76Å; H60-F84 AromaticContact CE1-CD2 3.76Å; H60-F84 AromaticContact CE1-CG 3.9Å; H60-F84 PolarHBondContact N-O 3.17Å; H60-F84 AromaticContact NE2-CD1 3.69Å; H60-F84 AromaticContact NE2-CD2 3.78Å; H60-F84 AromaticContact NE2-CG 3.48Å; H60-F84 WeakPolarHBondContact NE2-CG 3.4Å
61	N	97	Very high	96	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.07	25%	0.249	C	C	.	.	S	Bend	trans	-114.5	-165.8	177.9	-79.8	-60.1	0	0	0	110.7	C37 L40 K41 L42 L58 T59 L63 F84 N85	C37-N61 PolarHBondContact O-ND2 2.78Å; L40-N61 PolarHBondContact N-OD1 2.99Å; K41-N61 PolarHBondContact N-OD1 3.02Å; L42-N61 HydrophobicContact CB-CB 4.26Å; L42-N61 PolarHBondContact N-OD1 3.32Å; L58-N61 VanDerWaalsContact C-ND2 3.27Å; L58-N61 PolarHBondContact O-ND2 2.86Å; T59-N61 VanDerWaalsContact C-N 3.34Å; T59-N61 PolarHBondContact O-N 2.03Å; T59-N61 PolarHBondContact O-ND2 2.94Å; N61-L63 HydrophobicContact CB-CG 4.33Å; N61-F84 PolarHBondContact N-O 3.39Å; N61-N85 WeakPolarHBondContact CA-OD1 3.24Å; N61-N85 VanDerWaalsContact CB-OD1 3.26Å; N61-N85 WeakPolarHBondContact CB-OD1 3.3Å; N61-N85 PolarHBondContact O-OD1 3.43Å
62	Q	97	Very high	95.9	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.5	25%	0.245	S	C	.	.			trans	-122.3	28.1	-175.6	-58.9	-174.3	6.8	0	0	111.6	L42 T43 R64 N85	L42-Q62 CarbonylContact O-C 3.36Å; L42-Q62 WeakPolarHBondContact O-CA 3.48Å; L42-Q62 PolarHBondContact O-N 3.47Å; T43-Q62 HydrophobicContact CG2-CB 3.97Å; Q62-R64 PolarHBondContact O-N 3.17Å; Q62-N85 PolarHBondContact N-OD1 3.08Å
63	L	96.7	Very high	95.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.249	C	C	.	.			trans	-67.3	130.3	179.1	-55	179	0	0	0	109.8	L42 Q44 V45 L58 N61 L66 N85 S86 I87	L42-L63 PolarHBondContact O-N 3.18Å; Q44-L63 VanDerWaalsContact C-CD2 3.49Å; V45-L63 HydrophobicContact CG2-CD1 4.38Å; L58-L63 HydrophobicContact CB-CD1 4.03Å; L58-L63 HydrophobicContact CD1-CD1 4.09Å; L58-L63 HydrophobicContact CD2-CD1 4.44Å; L58-L63 HydrophobicContact CG-CD1 4.43Å; N61-L63 HydrophobicContact CB-CG 4.33Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-N85 HydrophobicContact CB-CB 4.32Å; L63-N85 VanDerWaalsContact CB-OD1 3.27Å; L63-N85 WeakPolarHBondContact CB-OD1 3.34Å; L63-N85 WeakPolarHBondContact CG-OD1 3.43Å; L63-N85 PolarHBondContact N-OD1 2.8Å; L63-S86 CarbonylContact O-C 3.58Å; L63-S86 VanDerWaalsContact O-C 3.27Å; L63-S86 WeakPolarHBondContact O-CA 3.46Å; L63-S86 PolarHBondContact O-N 2.6Å; L63-I87 HydrophobicContact CB-CG1 4.33Å; L63-I87 PolarHBondContact O-N 3.43Å
64	R	95.8	Very high	95.8	Very high	187 Å²	187	50.7 Å²	50.7	71%	0.706	25%	0.249	S	C	*	.			trans	-105.2	-16.7	179.4	-63.5	-175.7	-179.1	-174.7	-1	114.3	Q62 S86	Q62-R64 PolarHBondContact O-N 3.17Å; R64-S86 WeakPolarHBondContact CA-O 3.33Å
65	R	94.9	Very high	95.7	Very high	167 Å²	167	51 Å²	51	63%	0.63	25%	0.253	S	S	*	.			trans	-156.8	161.9	-179.6	-62.8	-171.4	-173.4	173.7	4.7	108.8
66	L	95.6	Very high	95.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-120.6	89.1	169.5	-60.7	179.9	0	0	0	109	V45 L63 A68 F71 L80 V82 I87 L90 L94	V45-L66 HydrophobicContact CG2-CD2 4.01Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L66-A68 PolarHBondContact O-N 2.83Å; L66-F71 HydrophobicContact CB-CE2 3.94Å; L66-F71 HydrophobicContact CD2-CE2 4.12Å; L66-F71 HydrophobicContact CD2-CZ 4.07Å; L66-F71 HydrophobicContact CG-CE2 4.49Å; L66-L80 HydrophobicContact CD1-CD2 4.48Å; L66-V82 HydrophobicContact CD1-CB 4.4Å; L66-V82 HydrophobicContact CD1-CG1 3.98Å; L66-V82 HydrophobicContact CD1-CG2 4.02Å; L66-V82 HydrophobicContact CD2-CG1 4.08Å; L66-I87 HydrophobicContact CD1-CD1 3.97Å; L66-I87 HydrophobicContact CD2-CD1 4Å; L66-I87 HydrophobicContact CG-CD1 3.83Å; L66-I87 HydrophobicContact CG-CG1 4.48Å; L66-L90 HydrophobicContact CB-CD1 4.47Å; L66-L90 HydrophobicContact CD1-CD1 3.95Å; L66-L94 HydrophobicContact CB-CD2 4.03Å; L66-L94 HydrophobicContact CD1-CD2 4.03Å
67	P	94.7	Very high	95.6	Very high	46 Å²	46	53.7 Å²	53.7	30%	0.299	26%	0.263	S	S	.	.			trans	-67.7	130.1	-179.3	-16.6	30.8	0	0	0	110.3	A69 N70 E91	P67-A69 PolarHBondContact O-N 2.7Å; P67-A69 VanDerWaalsContact O-N 3.09Å; P67-N70 PolarHBondContact O-N 3.49Å; P67-E91 VanDerWaalsContact CA-OE2 3.31Å; P67-E91 WeakPolarHBondContact CA-OE2 3.37Å
68	A	93.4	Very high	95.6	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59	-29.7	-174.7	0	0	0	0	0	112.8	L66 N70 F71 E91 E93 K97	L66-A68 PolarHBondContact O-N 2.83Å; A68-N70 PolarHBondContact O-N 3.3Å; A68-F71 PolarHBondContact O-N 3.22Å; A68-E91 PolarHBondContact N-OE2 3.15Å; A68-E93 HydrophobicContact CB-CB 3.69Å; A68-K97 HydrophobicContact CB-CG 4.4Å; A68-K97 WeakPolarHBondContact O-CG 3.32Å
69	A	93.3	Very high	95.6	Very high	75 Å²	75	56.3 Å²	56.3	62%	0.62	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-55	-48.7	178.6	0	0	0	0	0	113	P67 F71 T72	P67-A69 PolarHBondContact O-N 2.7Å; P67-A69 VanDerWaalsContact O-N 3.09Å; A69-F71 PolarHBondContact O-N 2.92Å; A69-T72 WeakPolarHBondContact O-CB 3.35Å; A69-T72 PolarHBondContact O-N 2.91Å; A69-T72 VanDerWaalsContact O-N 3.11Å; A69-T72 PolarHBondContact O-OG1 3.2Å
70	N	92.3	Very high	95.7	Very high	59 Å²	59	55.5 Å²	55.5	32%	0.316	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.2	-30.4	-177	-68.1	74.7	0	0	0	113	V45 P67 A68 T72	V45-N70 HydrophobicContact CB-CB 4.32Å; P67-N70 PolarHBondContact O-N 3.49Å; A68-N70 PolarHBondContact O-N 3.3Å; N70-T72 VanDerWaalsContact C-N 3.35Å
71	F	94.9	Very high	95.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-84.9	-4.6	-177.7	-72.2	-86.5	0	0	0	114.2	V45 L56 L66 A68 A69 R73 Y74 L77 L80 L94 K97 L98	V45-F71 HydrophobicContact CB-CE2 4.47Å; V45-F71 HydrophobicContact CB-CZ 4.41Å; V45-F71 HydrophobicContact CG1-CE1 4.21Å; V45-F71 HydrophobicContact CG1-CE2 4.27Å; V45-F71 HydrophobicContact CG1-CZ 3.89Å; V45-F71 HydrophobicContact CG2-CE2 3.81Å; V45-F71 HydrophobicContact CG2-CZ 3.73Å; L56-F71 HydrophobicContact CD2-CE1 4.15Å; L66-F71 HydrophobicContact CB-CE2 3.94Å; L66-F71 HydrophobicContact CD2-CE2 4.12Å; L66-F71 HydrophobicContact CD2-CZ 4.07Å; L66-F71 HydrophobicContact CG-CE2 4.49Å; A68-F71 PolarHBondContact O-N 3.22Å; A69-F71 PolarHBondContact O-N 2.92Å; F71-R73 PolarHBondContact O-N 3.4Å; F71-R73 VanDerWaalsContact O-N 3.12Å; F71-Y74 HydrophobicContact CD1-CD2 4.48Å; F71-Y74 PolarHBondContact O-N 3.22Å; F71-L77 HydrophobicContact CD1-CD1 4.32Å; F71-L80 HydrophobicContact CE1-CD1 3.88Å; F71-L80 HydrophobicContact CE1-CD2 3.84Å; F71-L80 HydrophobicContact CZ-CD1 4.38Å; F71-L80 HydrophobicContact CZ-CD2 4.14Å; F71-L94 HydrophobicContact CB-CD1 3.79Å; F71-L94 HydrophobicContact CD1-CD1 4.19Å; F71-L94 HydrophobicContact CD2-CD1 3.23Å; F71-L94 HydrophobicContact CE2-CD1 3.8Å; F71-L94 HydrophobicContact CG-CD1 3.45Å; F71-L94 VanDerWaalsContact CG-CD1 3.45Å; F71-L94 HydrophobicContact CZ-CD1 4.46Å; F71-K97 HydrophobicContact CB-CB 4.45Å; F71-L98 HydrophobicContact CB-CD1 4.39Å; F71-L98 HydrophobicContact CB-CD2 3.99Å; F71-L98 HydrophobicContact CB-CG 4.2Å; F71-L98 HydrophobicContact CD1-CD1 3.83Å; F71-L98 HydrophobicContact CD1-CD2 4.25Å; F71-L98 HydrophobicContact CD1-CG 4.45Å; F71-L98 HydrophobicContact CE1-CD1 4.46Å; F71-L98 HydrophobicContact CG-CD1 4.27Å
72	T	93	Very high	95.8	Very high	73 Å²	73	52.6 Å²	52.6	45%	0.448	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-60	-24.5	178	-50	0	0	0	0	112.7	A69 N70 K97	A69-T72 WeakPolarHBondContact O-CB 3.35Å; A69-T72 PolarHBondContact O-N 2.91Å; A69-T72 VanDerWaalsContact O-N 3.11Å; A69-T72 PolarHBondContact O-OG1 3.2Å; N70-T72 VanDerWaalsContact C-N 3.35Å; T72-K97 HydrophobicContact CG2-CD 4.33Å; T72-K97 WeakPolarHBondContact OG1-CE 3.48Å
73	R	93.1	Very high	95.8	Very high	126 Å²	126	47.5 Å²	47.5	48%	0.475	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-74.4	-22.9	176.5	-168.6	173.7	-167.4	130	15.3	113.7	D47 L49 T51 F71	D47-R73 VanDerWaalsContact O-CD 3.29Å; D47-R73 WeakPolarHBondContact O-CD 3.27Å; D47-R73 VanDerWaalsContact O-CZ 3.31Å; D47-R73 PolarHBondContact O-NE 2.99Å; D47-R73 PolarHBondContact O-NH1 3.43Å; L49-R73 PolarHBondContact O-NE 2.87Å; T51-R73 HydrophobicContact CG2-CG 3.79Å; F71-R73 PolarHBondContact O-N 3.4Å; F71-R73 VanDerWaalsContact O-N 3.12Å
74	Y	95.8	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	S	.	.			trans	-118.2	40.2	-164.7	-49.1	-51.9	0	0	0	112.3	P46 D47 L49 I53 F71 Q76 L77 L98	P46-Y74 WeakPolarHBondContact O-CE2 3.47Å; P46-Y74 PolarHBondContact O-OH 2.81Å; D47-Y74 VanDerWaalsContact CA-OH 3.32Å; D47-Y74 WeakPolarHBondContact CA-OH 3.03Å; L49-Y74 HydrophobicContact CB-CE1 3.74Å; L49-Y74 PolarHBondContact N-OH 3.03Å; I53-Y74 HydrophobicContact CD1-CD1 3.81Å; I53-Y74 HydrophobicContact CD1-CE1 4.15Å; I53-Y74 HydrophobicContact CD1-CG 4.19Å; I53-Y74 HydrophobicContact CG1-CD1 4.02Å; F71-Y74 HydrophobicContact CD1-CD2 4.48Å; F71-Y74 PolarHBondContact O-N 3.22Å; Y74-Q76 PolarHBondContact O-N 3.34Å; Y74-L77 HydrophobicContact CG-CD1 4.48Å; Y74-L77 WeakPolarHBondContact O-CG 3.19Å; Y74-L77 PolarHBondContact O-N 3.12Å; Y74-L98 WeakPolarHBondContact O-CD2 3.35Å
75	S	95.1	Very high	96	Very high	46 Å²	46	42.5 Å²	42.5	32%	0.322	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.5	-174	58.6	0	0	0	0	115.3
76	Q	96.3	Very high	96.1	Very high	85 Å²	85	36.6 Å²	36.6	40%	0.397	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.7	176.1	-53.4	-54.8	-54.5	0	0	113.9	Y74 T78	Y74-Q76 PolarHBondContact O-N 3.34Å; Q76-T78 PolarHBondContact O-N 3.23Å
77	L	97.9	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.			trans	-60.9	126.4	-178.2	-73.8	173.7	0	0	0	111.9	I53 L56 F71 Y74 L98 M100 L101	I53-L77 HydrophobicContact CD1-CD2 4.22Å; I53-L77 HydrophobicContact CG1-CD2 3.96Å; L56-L77 HydrophobicContact CB-CD1 4.02Å; L56-L77 HydrophobicContact CB-CD2 3.67Å; L56-L77 HydrophobicContact CD2-CD1 4.01Å; F71-L77 HydrophobicContact CD1-CD1 4.32Å; Y74-L77 HydrophobicContact CG-CD1 4.48Å; Y74-L77 WeakPolarHBondContact O-CG 3.19Å; Y74-L77 PolarHBondContact O-N 3.12Å; L77-L98 HydrophobicContact CB-CD2 4.21Å; L77-L98 HydrophobicContact CD1-CD1 4.46Å; L77-L98 HydrophobicContact CD1-CD2 4.14Å; L77-M100 CarbonylContact O-C 3.42Å; L77-M100 VanDerWaalsContact O-C 3.31Å; L77-L101 WeakPolarHBondContact O-CA 3.43Å; L77-L101 PolarHBondContact O-N 2.89Å
78	T	98.1	Very high	96.2	Very high	31 Å²	31	36.8 Å²	36.8	19%	0.19	21%	0.207	C	C	.	.	S	Bend	trans	-104.4	-26.5	173.9	65.2	0	0	0	0	112	T54 Q76 M100 K102 V103	T54-T78 PolarHBondContact O-N 2.6Å; T54-T78 PolarHBondContact O-OG1 3.17Å; Q76-T78 PolarHBondContact O-N 3.23Å; T78-M100 WeakPolarHBondContact CA-O 3.26Å; T78-M100 HydrophobicContact CG2-CB 4.35Å; T78-K102 PolarHBondContact O-N 2.66Å; T78-V103 PolarHBondContact O-N 2.66Å
79	I	98.5	Very high	96.2	Very high	61 Å²	61	43.6 Å²	43.6	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.1	176.6	-54.7	-175.3	0	0	0	108.8	T54 V55 L56 V103	T54-I79 PolarHBondContact O-N 3.01Å; V55-I79 WeakPolarHBondContact CA-O 3.04Å; V55-I79 HydrophobicContact CB-CB 4.35Å; V55-I79 HydrophobicContact CG1-CB 4.03Å; V55-I79 HydrophobicContact CG1-CG2 4.1Å; V55-I79 HydrophobicContact CG2-CB 4.07Å; V55-I79 HydrophobicContact CG2-CD1 4.05Å; V55-I79 HydrophobicContact CG2-CG1 4.21Å; L56-I79 PolarHBondContact N-O 3.25Å; L56-I79 VanDerWaalsContact N-O 3.07Å; I79-V103 WeakPolarHBondContact CA-O 3.4Å; I79-V103 HydrophobicContact CB-CB 4.33Å; I79-V103 HydrophobicContact CD1-CG2 4.47Å; I79-V103 HydrophobicContact CG1-CB 4.03Å; I79-V103 HydrophobicContact CG1-CG2 4.13Å; I79-V103 HydrophobicContact CG2-CB 4.08Å; I79-V103 HydrophobicContact CG2-CG1 4.22Å
80	L	98.4	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	112.2	170.1	178.2	60.4	0	0	0	108.8	L56 L58 L66 F71 V82 L98 L101 V103 L104 N105	L56-L80 HydrophobicContact CB-CD1 4.15Å; L56-L80 HydrophobicContact CD2-CD1 4.05Å; L56-L80 HydrophobicContact CG-CD1 4.1Å; L58-L80 HydrophobicContact CD1-CD1 4.37Å; L66-L80 HydrophobicContact CD1-CD2 4.48Å; F71-L80 HydrophobicContact CE1-CD1 3.88Å; F71-L80 HydrophobicContact CE1-CD2 3.84Å; F71-L80 HydrophobicContact CZ-CD1 4.38Å; F71-L80 HydrophobicContact CZ-CD2 4.14Å; L80-V82 HydrophobicContact CD1-CG1 3.9Å; L80-V82 HydrophobicContact CG-CG1 4.04Å; L80-L98 HydrophobicContact CD2-CD1 3.94Å; L80-L101 HydrophobicContact CB-CD1 3.74Å; L80-V103 PolarHBondContact N-O 2.96Å; L80-L104 HydrophobicContact CB-CD1 4.35Å; L80-L104 HydrophobicContact CD2-CD1 4.21Å; L80-L104 HydrophobicContact CG-CD1 4.36Å; L80-N105 PolarHBondContact O-N 3.4Å
81	D	98.6	Very high	96.4	Very high	33 Å²	33	41.4 Å²	41.4	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.7	171.2	-159.4	-33.7	0	0	0	110.2	L56 L58 T59 G83 N105	L56-D81 PolarHBondContact O-N 2.83Å; L58-D81 PolarHBondContact N-O 3.34Å; T59-D81 HydrophobicContact CG2-CB 4.27Å; T59-D81 VanDerWaalsContact CG2-CG 3.49Å; T59-D81 WeakPolarHBondContact CG2-OD1 3.01Å; D81-G83 PolarHBondContact OD1-N 3.07Å; D81-N105 HydrophobicContact CB-CB 4.18Å; D81-N105 PolarHBondContact OD1-ND2 2.86Å; D81-N105 PolarHBondContact OD2-ND2 2.85Å
82	V	97.9	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.			trans	-127.6	24.4	177.7	-69.5	0	0	0	0	110.6	L58 L66 L80 N85 I87 N105 L106 N109	L58-V82 HydrophobicContact CB-CG1 4.11Å; L58-V82 HydrophobicContact CD1-CG1 4.09Å; L66-V82 HydrophobicContact CD1-CB 4.4Å; L66-V82 HydrophobicContact CD1-CG1 3.98Å; L66-V82 HydrophobicContact CD1-CG2 4.02Å; L66-V82 HydrophobicContact CD2-CG1 4.08Å; L80-V82 HydrophobicContact CD1-CG1 3.9Å; L80-V82 HydrophobicContact CG-CG1 4.04Å; V82-N85 PolarHBondContact O-ND2 2.84Å; V82-I87 HydrophobicContact CB-CD1 3.77Å; V82-I87 HydrophobicContact CG2-CD1 3.83Å; V82-N105 WeakPolarHBondContact CG2-O 3.35Å; V82-N105 PolarHBondContact N-O 3.42Å; V82-L106 HydrophobicContact CG2-CD2 3.53Å; V82-L106 HydrophobicContact CG2-CG 4.01Å; V82-N109 PolarHBondContact O-ND2 2.79Å
83	G	97.9	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-60.8	157.2	179.5	0	0	0	0	0	113.4	T59 H60 D81 N85 Q107	T59-G83 VanDerWaalsContact CA-O 3.24Å; T59-G83 WeakPolarHBondContact CA-O 3.44Å; H60-G83 PolarHBondContact N-O 3.03Å; D81-G83 PolarHBondContact OD1-N 3.07Å; G83-N85 PolarHBondContact O-ND2 3Å; G83-Q107 CarbonylContact C-O 3.5Å; G83-Q107 WeakPolarHBondContact CA-O 3.2Å
84	F	98.1	Very high	96.4	Very high	71 Å²	71	37.3 Å²	37.3	31%	0.311	19%	0.194	S	C	.	.	S	Bend	trans	55.1	59	179.7	-59.2	-91.3	0	0	0	112.4	H60 N61 Q107 H108	H60-F84 VanDerWaalsContact CA-O 3.28Å; H60-F84 WeakPolarHBondContact CA-O 3.09Å; H60-F84 AromaticContact CD2-CG 3.76Å; H60-F84 AromaticContact CE1-CD2 3.76Å; H60-F84 AromaticContact CE1-CG 3.9Å; H60-F84 PolarHBondContact N-O 3.17Å; H60-F84 AromaticContact NE2-CD1 3.69Å; H60-F84 AromaticContact NE2-CD2 3.78Å; H60-F84 AromaticContact NE2-CG 3.48Å; H60-F84 WeakPolarHBondContact NE2-CG 3.4Å; N61-F84 PolarHBondContact N-O 3.39Å; F84-Q107 HydrophobicContact CD2-CG 4.28Å; F84-Q107 HydrophobicContact CE2-CG 4.05Å; F84-Q107 PolarHBondContact N-O 3.18Å; F84-H108 VanDerWaalsContact CA-O 3.24Å; F84-H108 WeakPolarHBondContact CA-O 3.35Å; F84-H108 HydrophobicContact CB-CB 4.49Å; F84-H108 HydrophobicContact CD1-CB 3.57Å; F84-H108 AromaticContact CD1-CG 3.79Å; F84-H108 HydrophobicContact CD2-CB 4.3Å; F84-H108 HydrophobicContact CE1-CB 3.72Å; F84-H108 AromaticContact CE1-CD2 3.65Å; F84-H108 AromaticContact CE1-CG 3.39Å; F84-H108 AromaticContact CE1-ND1 3.68Å; F84-H108 HydrophobicContact CE2-CB 4.42Å; F84-H108 HydrophobicContact CG-CB 3.87Å; F84-H108 HydrophobicContact CZ-CB 4.14Å; F84-H108 AromaticContact CZ-CD2 3.48Å; F84-H108 VanDerWaalsContact CZ-CD2 3.48Å; F84-H108 WeakPolarHBondContact CZ-CD2 3.46Å; F84-H108 AromaticContact CZ-CG 3.72Å; F84-H108 PolarHBondContact N-O 3.24Å
85	N	97.9	Very high	96.3	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.064	20%	0.196	C	C	.	.	S	Bend	trans	-138.9	-173.9	178.1	-84.3	-85.8	0	0	0	109.5	L58 N61 Q62 L63 V82 G83 I87 H108 N109	L58-N85 PolarHBondContact O-ND2 3.04Å; N61-N85 WeakPolarHBondContact CA-OD1 3.24Å; N61-N85 VanDerWaalsContact CB-OD1 3.26Å; N61-N85 WeakPolarHBondContact CB-OD1 3.3Å; N61-N85 PolarHBondContact O-OD1 3.43Å; Q62-N85 PolarHBondContact N-OD1 3.08Å; L63-N85 HydrophobicContact CB-CB 4.32Å; L63-N85 VanDerWaalsContact CB-OD1 3.27Å; L63-N85 WeakPolarHBondContact CB-OD1 3.34Å; L63-N85 WeakPolarHBondContact CG-OD1 3.43Å; L63-N85 PolarHBondContact N-OD1 2.8Å; V82-N85 PolarHBondContact O-ND2 2.84Å; G83-N85 PolarHBondContact O-ND2 3Å; N85-I87 HydrophobicContact CB-CD1 4.22Å; N85-I87 HydrophobicContact CB-CG1 4.2Å; N85-H108 PolarHBondContact N-O 3.41Å; N85-H108 VanDerWaalsContact N-O 3.17Å; N85-N109 WeakPolarHBondContact CA-OD1 3.26Å; N85-N109 WeakPolarHBondContact CB-OD1 3.41Å; N85-N109 WeakPolarHBondContact O-CA 3.49Å; N85-N109 PolarHBondContact O-OD1 3.36Å
86	S	97.6	Very high	96.3	Very high	43 Å²	43	40.2 Å²	40.2	30%	0.301	20%	0.203	S	C	.	.			trans	-111.8	35.5	178.6	-83.5	0	0	0	0	112.4	L63 R64 S88 E110	L63-S86 CarbonylContact O-C 3.58Å; L63-S86 VanDerWaalsContact O-C 3.27Å; L63-S86 WeakPolarHBondContact O-CA 3.46Å; L63-S86 PolarHBondContact O-N 2.6Å; R64-S86 WeakPolarHBondContact CA-O 3.33Å; S86-S88 PolarHBondContact O-N 3.02Å; S86-E110 WeakPolarHBondContact CA-OE1 3.21Å; S86-E110 WeakPolarHBondContact CB-OE1 3.49Å; S86-E110 PolarHBondContact OG-OE1 3.4Å
87	I	97.5	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.			trans	-74.2	111	-177.1	-58.5	162.8	0	0	0	109.2	L63 L66 V82 N85 L106 N109 E110 L111	L63-I87 HydrophobicContact CB-CG1 4.33Å; L63-I87 PolarHBondContact O-N 3.43Å; L66-I87 HydrophobicContact CD1-CD1 3.97Å; L66-I87 HydrophobicContact CD2-CD1 4Å; L66-I87 HydrophobicContact CG-CD1 3.83Å; L66-I87 HydrophobicContact CG-CG1 4.48Å; V82-I87 HydrophobicContact CB-CD1 3.77Å; V82-I87 HydrophobicContact CG2-CD1 3.83Å; N85-I87 HydrophobicContact CB-CD1 4.22Å; N85-I87 HydrophobicContact CB-CG1 4.2Å; I87-L106 HydrophobicContact CD1-CD2 4.26Å; I87-N109 HydrophobicContact CB-CB 4.45Å; I87-N109 WeakPolarHBondContact CB-OD1 3.47Å; I87-N109 WeakPolarHBondContact CG1-OD1 3.18Å; I87-N109 PolarHBondContact N-OD1 3.17Å; I87-E110 CarbonylContact O-C 3.27Å; I87-E110 WeakPolarHBondContact O-CA 3.49Å; I87-E110 PolarHBondContact O-N 3.31Å; I87-L111 PolarHBondContact O-N 3.12Å
88	S	95.1	Very high	96.2	Very high	51 Å²	51	40.3 Å²	40.3	36%	0.357	20%	0.202	S	C	.	.			trans	-98.3	-17.6	-177	49.1	0	0	0	0	114.2	S86	S86-S88 PolarHBondContact O-N 3.02Å
89	K	93.6	Very high	96.1	Very high	150 Å²	150	42 Å²	42	65%	0.652	21%	0.214	S	C	*	.			trans	-149.6	147.3	175.9	-65.1	-168.8	180	-174.6	0	111.1
90	L	95.1	Very high	96	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.084	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-107.7	139.6	172.2	-154.9	71	0	0	0	110.1	L66 L94 L104 L106 T118 F119	L66-L90 HydrophobicContact CB-CD1 4.47Å; L66-L90 HydrophobicContact CD1-CD1 3.95Å; L90-L94 HydrophobicContact CD1-CD2 3.65Å; L90-L94 HydrophobicContact CG-CD2 4.11Å; L90-L104 HydrophobicContact CD2-CD2 4.32Å; L90-L106 HydrophobicContact CD1-CD2 4.44Å; L90-L106 HydrophobicContact CD2-CD1 4.3Å; L90-T118 HydrophobicContact CB-CG2 4.01Å; L90-T118 HydrophobicContact CD2-CG2 4.47Å; L90-F119 HydrophobicContact CD2-CD1 4.07Å; L90-F119 HydrophobicContact CD2-CE1 3.69Å
91	E	93.7	Very high	96	Very high	71 Å²	71	43.5 Å²	43.5	33%	0.332	22%	0.221	S	C	.	.			trans	-86.7	124.3	174.3	-71.5	175.1	-167.6	0	0	109.7	P67 A68 E93 L94	P67-E91 VanDerWaalsContact CA-OE2 3.31Å; P67-E91 WeakPolarHBondContact CA-OE2 3.37Å; A68-E91 PolarHBondContact N-OE2 3.15Å; E91-E93 PolarHBondContact O-N 3.34Å; E91-E93 VanDerWaalsContact O-N 3.12Å; E91-L94 WeakPolarHBondContact O-CB 3.2Å; E91-L94 PolarHBondContact O-N 3.46Å
92	P	91.6	Very high	96	Very high	25 Å²	25	47.4 Å²	47.4	16%	0.162	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.7	-179.6	-28.3	35.5	0	0	0	114.2	L94 K117 F121	P92-L94 PolarHBondContact O-N 3.09Å; P92-K117 WeakPolarHBondContact CB-O 3.35Å; P92-K117 HydrophobicContact CG-CB 3.81Å; P92-K117 WeakPolarHBondContact CG-O 3.4Å; P92-F121 HydrophobicContact CB-CD2 3.91Å; P92-F121 HydrophobicContact CB-CE2 3.87Å; P92-F121 WeakPolarHBondContact O-CD2 3.15Å
93	E	94.3	Very high	96	Very high	89 Å²	89	48.4 Å²	48.4	42%	0.416	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.4	-179.2	-65.5	67.7	-148.7	0	0	112.6	A68 E91 C95 Q96 K97	A68-E93 HydrophobicContact CB-CB 3.69Å; E91-E93 PolarHBondContact O-N 3.34Å; E91-E93 VanDerWaalsContact O-N 3.12Å; E93-C95 PolarHBondContact O-N 3.04Å; E93-Q96 WeakPolarHBondContact O-CB 3.48Å; E93-Q96 PolarHBondContact O-N 2.88Å; E93-K97 PolarHBondContact O-N 3.16Å
94	L	94.9	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-48.1	177.2	178.3	63.8	0	0	0	111.6	L66 F71 L90 E91 P92 Q96 K97 L98	L66-L94 HydrophobicContact CB-CD2 4.03Å; L66-L94 HydrophobicContact CD1-CD2 4.03Å; F71-L94 HydrophobicContact CB-CD1 3.79Å; F71-L94 HydrophobicContact CD1-CD1 4.19Å; F71-L94 HydrophobicContact CD2-CD1 3.23Å; F71-L94 HydrophobicContact CE2-CD1 3.8Å; F71-L94 HydrophobicContact CG-CD1 3.45Å; F71-L94 VanDerWaalsContact CG-CD1 3.45Å; F71-L94 HydrophobicContact CZ-CD1 4.46Å; L90-L94 HydrophobicContact CD1-CD2 3.65Å; L90-L94 HydrophobicContact CG-CD2 4.11Å; E91-L94 WeakPolarHBondContact O-CB 3.2Å; E91-L94 PolarHBondContact O-N 3.46Å; P92-L94 PolarHBondContact O-N 3.09Å; L94-Q96 PolarHBondContact O-N 3.05Å; L94-K97 WeakPolarHBondContact O-CB 3.08Å; L94-K97 PolarHBondContact O-N 3.31Å; L94-L98 HydrophobicContact CD1-CD1 4.08Å; L94-L98 HydrophobicContact CG-CD1 4.42Å; L94-L98 PolarHBondContact O-N 2.83Å
95	C	94.6	Very high	96.1	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-72.1	-16.6	178.5	-70.7	0	0	0	0	113.5	E93 K97 L98 F121 C122	E93-C95 PolarHBondContact O-N 3.04Å; C95-K97 VanDerWaalsContact C-N 3.34Å; C95-L98 CarbonylContact O-C 3.51Å; C95-F121 HydrophobicContact CB-CB 4.09Å; C95-C122 HydrophobicContact CB-CB 3.77Å; C95-C122 WeakPolarHBondContact CB-SG 3.44Å; C95-C122 WeakPolarHBondContact SG-CB 3.47Å; C95-C122 CovalentContact SG-SG 2.03Å; C95-C122 PolarHBondContact SG-SG 3.05Å
96	Q	94.4	Very high	96.1	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	23%	0.228	S	C	.	.	H	α-helix	trans	-75.1	-26.9	168.7	-56.5	177.9	17.3	0	0	111.7	E93 L94 F121	E93-Q96 WeakPolarHBondContact O-CB 3.48Å; E93-Q96 PolarHBondContact O-N 2.88Å; L94-Q96 PolarHBondContact O-N 3.05Å; Q96-F121 HydrophobicContact CG-CB 3.74Å; Q96-F121 HydrophobicContact CG-CD1 3.88Å; Q96-F121 HydrophobicContact CG-CD2 4.04Å; Q96-F121 HydrophobicContact CG-CG 3.6Å
97	K	96.3	Very high	96.1	Very high	84 Å²	84	45.2 Å²	45.2	37%	0.365	22%	0.224	S	C	.	.	H	α-helix	trans	-82.9	-25.2	173.9	-61.5	-58.1	-170.3	175.7	0	113.2	A68 F71 T72 E93 L94 C95 P99	A68-K97 HydrophobicContact CB-CG 4.4Å; A68-K97 WeakPolarHBondContact O-CG 3.32Å; F71-K97 HydrophobicContact CB-CB 4.45Å; T72-K97 HydrophobicContact CG2-CD 4.33Å; T72-K97 WeakPolarHBondContact OG1-CE 3.48Å; E93-K97 PolarHBondContact O-N 3.16Å; L94-K97 WeakPolarHBondContact O-CB 3.08Å; L94-K97 PolarHBondContact O-N 3.31Å; C95-K97 VanDerWaalsContact C-N 3.34Å; K97-P99 WeakPolarHBondContact O-CD 3.46Å
98	L	96.9	Very high	96.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.239	C	C	.	.			trans	-113.2	63.9	179.1	-55.6	-176.2	0	0	0	111.6	F71 Y74 L77 L80 L94 C95 M100 L101	F71-L98 HydrophobicContact CB-CD1 4.39Å; F71-L98 HydrophobicContact CB-CD2 3.99Å; F71-L98 HydrophobicContact CB-CG 4.2Å; F71-L98 HydrophobicContact CD1-CD1 3.83Å; F71-L98 HydrophobicContact CD1-CD2 4.25Å; F71-L98 HydrophobicContact CD1-CG 4.45Å; F71-L98 HydrophobicContact CE1-CD1 4.46Å; F71-L98 HydrophobicContact CG-CD1 4.27Å; Y74-L98 WeakPolarHBondContact O-CD2 3.35Å; L77-L98 HydrophobicContact CB-CD2 4.21Å; L77-L98 HydrophobicContact CD1-CD1 4.46Å; L77-L98 HydrophobicContact CD1-CD2 4.14Å; L80-L98 HydrophobicContact CD2-CD1 3.94Å; L94-L98 HydrophobicContact CD1-CD1 4.08Å; L94-L98 HydrophobicContact CG-CD1 4.42Å; L94-L98 PolarHBondContact O-N 2.83Å; C95-L98 CarbonylContact O-C 3.51Å; L98-M100 PolarHBondContact O-N 2.9Å; L98-L101 HydrophobicContact CB-CB 4.09Å; L98-L101 HydrophobicContact CB-CD2 4.46Å; L98-L101 HydrophobicContact CD1-CD2 4.37Å; L98-L101 VanDerWaalsContact O-CB 3.26Å; L98-L101 WeakPolarHBondContact O-CB 3.21Å; L98-L101 PolarHBondContact O-N 3.21Å
99	P	95.6	Very high	96.3	Very high	68 Å²	68	46.6 Å²	46.6	44%	0.442	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.1	-173.9	29.9	-37.4	0	0	0	113.8	K97 N124	K97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-N124 PolarHBondContact O-ND2 3.2Å
100	M	97	Very high	96.5	Very high	86 Å²	86	44.2 Å²	44.2	42%	0.424	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	1.1	178.7	-65.2	-174.4	64.9	0	0	113.8	L77 T78 L98 K102	L77-M100 CarbonylContact O-C 3.42Å; L77-M100 VanDerWaalsContact O-C 3.31Å; T78-M100 WeakPolarHBondContact CA-O 3.26Å; T78-M100 HydrophobicContact CG2-CB 4.35Å; L98-M100 PolarHBondContact O-N 2.9Å; M100-K102 PolarHBondContact O-N 2.89Å
101	L	98.1	Very high	96.5	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	21%	0.212	C	C	.	.			trans	-65.8	121.6	-174.6	-168.7	67.7	0	0	0	111.9	L77 L80 L98 V103 L104 N124 L125	L77-L101 WeakPolarHBondContact O-CA 3.43Å; L77-L101 PolarHBondContact O-N 2.89Å; L80-L101 HydrophobicContact CB-CD1 3.74Å; L98-L101 HydrophobicContact CB-CB 4.09Å; L98-L101 HydrophobicContact CB-CD2 4.46Å; L98-L101 HydrophobicContact CD1-CD2 4.37Å; L98-L101 VanDerWaalsContact O-CB 3.26Å; L98-L101 WeakPolarHBondContact O-CB 3.21Å; L98-L101 PolarHBondContact O-N 3.21Å; L101-V103 WeakPolarHBondContact CD1-O 3.23Å; L101-L104 HydrophobicContact CD2-CB 4.21Å; L101-L104 HydrophobicContact CD2-CD1 4.42Å; L101-L104 HydrophobicContact CD2-CD2 4.44Å; L101-N124 CarbonylContact O-C 3.31Å; L101-N124 VanDerWaalsContact O-C 3.24Å; L101-L125 HydrophobicContact CD2-CD2 4.13Å; L101-L125 HydrophobicContact CG-CD2 3.91Å; L101-L125 PolarHBondContact O-N 2.99Å
102	K	98.3	Very high	96.5	Very high	115 Å²	115	42.7 Å²	42.7	50%	0.5	21%	0.214	S	C	.	.			trans	-110.8	-41.5	179.2	-69	178.4	-178.1	177.2	0	112.4	T78 M100 L125 T126 E127	T78-K102 PolarHBondContact O-N 2.66Å; M100-K102 PolarHBondContact O-N 2.89Å; K102-L125 CarbonylContact O-C 3.46Å; K102-L125 VanDerWaalsContact O-CA 3.32Å; K102-L125 WeakPolarHBondContact O-CA 3.37Å; K102-T126 PolarHBondContact O-N 3.04Å; K102-T126 PolarHBondContact O-OG1 3Å; K102-E127 PolarHBondContact O-N 2.97Å
103	V	98.8	Very high	96.5	Very high	21 Å²	21	48.8 Å²	48.8	13%	0.127	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.2	179.7	-177.5	0	0	0	0	108.8	T78 I79 L80 L101 E127	T78-V103 PolarHBondContact O-N 2.66Å; I79-V103 WeakPolarHBondContact CA-O 3.4Å; I79-V103 HydrophobicContact CB-CB 4.33Å; I79-V103 HydrophobicContact CD1-CG2 4.47Å; I79-V103 HydrophobicContact CG1-CB 4.03Å; I79-V103 HydrophobicContact CG1-CG2 4.13Å; I79-V103 HydrophobicContact CG2-CB 4.08Å; I79-V103 HydrophobicContact CG2-CG1 4.22Å; L80-V103 PolarHBondContact N-O 2.96Å; L101-V103 WeakPolarHBondContact CD1-O 3.23Å; V103-E127 HydrophobicContact CB-CB 4.38Å; V103-E127 HydrophobicContact CG1-CB 4.1Å; V103-E127 HydrophobicContact CG2-CB 4.13Å; V103-E127 HydrophobicContact CG2-CG 4.23Å
104	L	98.6	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	109	173.2	176.3	56.9	0	0	0	109.2	L80 L90 L101 L106 F119 L125 E127 L128 H129	L80-L104 HydrophobicContact CB-CD1 4.35Å; L80-L104 HydrophobicContact CD2-CD1 4.21Å; L80-L104 HydrophobicContact CG-CD1 4.36Å; L90-L104 HydrophobicContact CD2-CD2 4.32Å; L101-L104 HydrophobicContact CD2-CB 4.21Å; L101-L104 HydrophobicContact CD2-CD1 4.42Å; L101-L104 HydrophobicContact CD2-CD2 4.44Å; L104-L106 HydrophobicContact CD1-CD1 4.18Å; L104-L106 HydrophobicContact CD1-CG 4.17Å; L104-L106 HydrophobicContact CD2-CD1 3.84Å; L104-L106 HydrophobicContact CG-CD1 3.85Å; L104-L106 HydrophobicContact CG-CG 4.22Å; L104-F119 HydrophobicContact CD2-CD1 4.48Å; L104-F119 HydrophobicContact CD2-CE1 4.18Å; L104-L125 HydrophobicContact CB-CD1 4.4Å; L104-L125 HydrophobicContact CB-CD2 3.74Å; L104-L125 HydrophobicContact CD2-CD1 4.44Å; L104-E127 PolarHBondContact N-O 3.31Å; L104-E127 VanDerWaalsContact N-O 3.13Å; L104-L128 HydrophobicContact CB-CD1 4.21Å; L104-L128 HydrophobicContact CD2-CD1 4.1Å; L104-L128 HydrophobicContact CG-CD1 4.15Å; L104-H129 PolarHBondContact O-N 3.03Å
105	N	98.6	Very high	96.4	Very high	16 Å²	16	48.4 Å²	48.4	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.5	176.4	-170.1	2.8	0	0	0	111.1	L80 D81 V82 Q107 H129	L80-N105 PolarHBondContact O-N 3.4Å; D81-N105 HydrophobicContact CB-CB 4.18Å; D81-N105 PolarHBondContact OD1-ND2 2.86Å; D81-N105 PolarHBondContact OD2-ND2 2.85Å; V82-N105 WeakPolarHBondContact CG2-O 3.35Å; V82-N105 PolarHBondContact N-O 3.42Å; N105-Q107 PolarHBondContact ND2-NE2 2.8Å; N105-Q107 VanDerWaalsContact OD1-CB 3.31Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.41Å; N105-Q107 VanDerWaalsContact OD1-CG 3.24Å; N105-Q107 WeakPolarHBondContact OD1-CG 3.12Å; N105-Q107 PolarHBondContact OD1-N 3.38Å; N105-H129 HydrophobicContact CB-CB 4.34Å; N105-H129 WeakPolarHBondContact OD1-CB 3.33Å
106	L	98.2	Very high	96.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.			trans	-118.7	18.2	179.6	-81.5	159.3	0	0	0	111.1	V82 I87 L90 L104 N109 L111 F119 H129 L130 N133	V82-L106 HydrophobicContact CG2-CD2 3.53Å; V82-L106 HydrophobicContact CG2-CG 4.01Å; I87-L106 HydrophobicContact CD1-CD2 4.26Å; L90-L106 HydrophobicContact CD1-CD2 4.44Å; L90-L106 HydrophobicContact CD2-CD1 4.3Å; L104-L106 HydrophobicContact CD1-CD1 4.18Å; L104-L106 HydrophobicContact CD1-CG 4.17Å; L104-L106 HydrophobicContact CD2-CD1 3.84Å; L104-L106 HydrophobicContact CG-CD1 3.85Å; L104-L106 HydrophobicContact CG-CG 4.22Å; L106-N109 WeakPolarHBondContact O-CB 3.44Å; L106-N109 PolarHBondContact O-ND2 3.38Å; L106-L111 HydrophobicContact CD1-CD2 4.07Å; L106-F119 HydrophobicContact CD1-CE1 4.23Å; L106-H129 CarbonylContact C-O 2.97Å; L106-H129 WeakPolarHBondContact CA-O 3.36Å; L106-H129 PolarHBondContact N-O 3.1Å; L106-L130 HydrophobicContact CB-CD2 3.84Å; L106-L130 HydrophobicContact CD1-CD2 4Å; L106-N133 PolarHBondContact O-ND2 2.92Å
107	Q	97.8	Very high	96.3	Very high	44 Å²	44	54.4 Å²	54.4	21%	0.206	27%	0.274	C	S	.	.			trans	-54.1	151.1	-179.4	69	179.4	-38.4	0	0	113.1	G83 F84 N105 N109 H129 M131	G83-Q107 CarbonylContact C-O 3.5Å; G83-Q107 WeakPolarHBondContact CA-O 3.2Å; F84-Q107 HydrophobicContact CD2-CG 4.28Å; F84-Q107 HydrophobicContact CE2-CG 4.05Å; F84-Q107 PolarHBondContact N-O 3.18Å; N105-Q107 PolarHBondContact ND2-NE2 2.8Å; N105-Q107 VanDerWaalsContact OD1-CB 3.31Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.41Å; N105-Q107 VanDerWaalsContact OD1-CG 3.24Å; N105-Q107 WeakPolarHBondContact OD1-CG 3.12Å; N105-Q107 PolarHBondContact OD1-N 3.38Å; Q107-N109 PolarHBondContact O-N 3.2Å; Q107-N109 PolarHBondContact O-ND2 3.34Å; Q107-H129 PolarHBondContact N-O 3.16Å; Q107-M131 CarbonylContact C-O 3.59Å; Q107-M131 VanDerWaalsContact CA-O 3.31Å; Q107-M131 WeakPolarHBondContact CA-O 3.46Å; Q107-M131 HydrophobicContact CB-CB 4.04Å
108	H	98.1	Very high	96.2	Very high	69 Å²	69	50.9 Å²	50.9	32%	0.319	26%	0.259	S	S	.	.	S	Bend	trans	50.2	60.9	174.5	-74.1	-94.6	0	0	0	112.7	F84 N85 M131 S132	F84-H108 VanDerWaalsContact CA-O 3.24Å; F84-H108 WeakPolarHBondContact CA-O 3.35Å; F84-H108 HydrophobicContact CB-CB 4.49Å; F84-H108 HydrophobicContact CD1-CB 3.57Å; F84-H108 AromaticContact CD1-CG 3.79Å; F84-H108 HydrophobicContact CD2-CB 4.3Å; F84-H108 HydrophobicContact CE1-CB 3.72Å; F84-H108 AromaticContact CE1-CD2 3.65Å; F84-H108 AromaticContact CE1-CG 3.39Å; F84-H108 AromaticContact CE1-ND1 3.68Å; F84-H108 HydrophobicContact CE2-CB 4.42Å; F84-H108 HydrophobicContact CG-CB 3.87Å; F84-H108 HydrophobicContact CZ-CB 4.14Å; F84-H108 AromaticContact CZ-CD2 3.48Å; F84-H108 VanDerWaalsContact CZ-CD2 3.48Å; F84-H108 WeakPolarHBondContact CZ-CD2 3.46Å; F84-H108 AromaticContact CZ-CG 3.72Å; F84-H108 PolarHBondContact N-O 3.24Å; N85-H108 PolarHBondContact N-O 3.41Å; N85-H108 VanDerWaalsContact N-O 3.17Å; H108-M131 PolarHBondContact N-O 3.47Å; H108-S132 VanDerWaalsContact CE1-CB 3.49Å; H108-S132 WeakPolarHBondContact CE1-CB 3.48Å; H108-S132 PolarHBondContact CE1-OG 2.96Å; H108-S132 WeakPolarHBondContact NE2-CB 3.28Å; H108-S132 PolarHBondContact NE2-OG 3.29Å
109	N	98.2	Very high	96.2	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.053	26%	0.259	C	S	.	.	S	Bend	trans	-136.9	-171.3	179.1	-89.1	-85.2	0	0	0	110.1	V82 N85 I87 L106 Q107 N133	V82-N109 PolarHBondContact O-ND2 2.79Å; N85-N109 WeakPolarHBondContact CA-OD1 3.26Å; N85-N109 WeakPolarHBondContact CB-OD1 3.41Å; N85-N109 WeakPolarHBondContact O-CA 3.49Å; N85-N109 PolarHBondContact O-OD1 3.36Å; I87-N109 HydrophobicContact CB-CB 4.45Å; I87-N109 WeakPolarHBondContact CB-OD1 3.47Å; I87-N109 WeakPolarHBondContact CG1-OD1 3.18Å; I87-N109 PolarHBondContact N-OD1 3.17Å; L106-N109 WeakPolarHBondContact O-CB 3.44Å; L106-N109 PolarHBondContact O-ND2 3.38Å; Q107-N109 PolarHBondContact O-N 3.2Å; Q107-N109 PolarHBondContact O-ND2 3.34Å; N109-N133 VanDerWaalsContact C-OD1 3.23Å; N109-N133 WeakPolarHBondContact CB-OD1 3.47Å; N109-N133 WeakPolarHBondContact O-CA 3.37Å; N109-N133 PolarHBondContact O-OD1 3.32Å
110	E	97.1	Very high	96.1	Very high	100 Å²	100	48.7 Å²	48.7	47%	0.467	25%	0.247	S	C	.	.			trans	-108.6	18.7	-173.6	-65.7	175.1	-147	0	0	112.9	S86 I87 S112	S86-E110 WeakPolarHBondContact CA-OE1 3.21Å; S86-E110 WeakPolarHBondContact CB-OE1 3.49Å; S86-E110 PolarHBondContact OG-OE1 3.4Å; I87-E110 CarbonylContact O-C 3.27Å; I87-E110 WeakPolarHBondContact O-CA 3.49Å; I87-E110 PolarHBondContact O-N 3.31Å; E110-S112 PolarHBondContact O-N 3.27Å
111	L	95.7	Very high	96.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.247	C	C	.	.			trans	-77.6	50.6	-170.9	-165	61.8	0	0	0	113.3	I87 L106 Q113 L114 F119 L130 N133 I135	I87-L111 PolarHBondContact O-N 3.12Å; L106-L111 HydrophobicContact CD1-CD2 4.07Å; L111-Q113 PolarHBondContact O-N 3.21Å; L111-L114 HydrophobicContact CD2-CD2 4.09Å; L111-L114 HydrophobicContact CG-CD2 4.04Å; L111-F119 HydrophobicContact CD2-CZ 4.46Å; L111-L130 HydrophobicContact CD2-CD2 4.01Å; L111-N133 HydrophobicContact CB-CB 4.45Å; L111-N133 WeakPolarHBondContact CB-OD1 3.32Å; L111-N133 PolarHBondContact N-OD1 2.95Å; L111-I135 WeakPolarHBondContact O-CG1 3.28Å
112	S	93.4	Very high	96	Very high	53 Å²	53	49.2 Å²	49.2	37%	0.371	25%	0.248	S	C	.	.			trans	-64.5	-9.5	-173.6	58.3	0	0	0	0	116.1	E110 N133	E110-S112 PolarHBondContact O-N 3.27Å; S112-N133 WeakPolarHBondContact CA-O 3.24Å; S112-N133 PolarHBondContact N-O 2.96Å
113	Q	92.6	Very high	95.9	Very high	154 Å²	154	46.7 Å²	46.7	72%	0.72	24%	0.242	S	C	*	.			trans	-131.9	119.5	179.7	-64.9	-172.8	3.6	0	0	111.8	L111	L111-Q113 PolarHBondContact O-N 3.21Å
114	L	94.5	Very high	95.8	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.12	26%	0.255	C	S	.	.			trans	-103.1	141.9	173	-56.3	-178	0	0	0	110.5	L111 T118 F119 L130 I135 P142 F143	L111-L114 HydrophobicContact CD2-CD2 4.09Å; L111-L114 HydrophobicContact CG-CD2 4.04Å; L114-T118 HydrophobicContact CD2-CG2 4.32Å; L114-F119 HydrophobicContact CD1-CE2 4.29Å; L114-F119 HydrophobicContact CD2-CE2 3.85Å; L114-F119 HydrophobicContact CD2-CZ 4.16Å; L114-L130 HydrophobicContact CD1-CD1 4.18Å; L114-I135 HydrophobicContact CD1-CD1 4.19Å; L114-I135 HydrophobicContact CG-CD1 4.39Å; L114-P142 HydrophobicContact CB-CB 4.09Å; L114-P142 HydrophobicContact CB-CG 4.28Å; L114-F143 HydrophobicContact CD1-CE1 4.2Å; L114-F143 HydrophobicContact CD1-CZ 3.74Å
115	S	92.6	Very high	95.8	Very high	58 Å²	58	49.2 Å²	49.2	41%	0.406	26%	0.255	S	S	.	.			trans	-128.2	161.9	177.7	75.1	0	0	0	0	110.5	K117 T118	S115-K117 PolarHBondContact O-N 3.44Å; S115-K117 PolarHBondContact OG-N 2.89Å; S115-T118 PolarHBondContact N-OG1 3.04Å; S115-T118 WeakPolarHBondContact O-CB 3.44Å; S115-T118 PolarHBondContact O-N 3.25Å; S115-T118 PolarHBondContact O-OG1 3.02Å; S115-T118 VanDerWaalsContact O-OG1 3.08Å; S115-T118 PolarHBondContact OG-N 3.29Å; S115-T118 PolarHBondContact OG-OG1 2.97Å
116	D	93.1	Very high	95.8	Very high	84 Å²	84	50.1 Å²	50.1	45%	0.449	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.6	178.4	-59.4	-32.2	0	0	0	114	S140 N141	D116-S140 VanDerWaalsContact CG-OG 3.32Å; D116-S140 WeakPolarHBondContact OD1-CB 3.47Å; D116-S140 PolarHBondContact OD1-OG 2.93Å; D116-S140 WeakPolarHBondContact OD2-CB 3.31Å; D116-N141 VanDerWaalsContact OD1-C 3.27Å; D116-N141 WeakPolarHBondContact OD1-CA 3.43Å; D116-N141 PolarHBondContact OD1-N 3.28Å
117	K	93.4	Very high	95.8	Very high	149 Å²	149	53.3 Å²	53.3	65%	0.648	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.1	176.7	-63.5	-170.8	177.6	-173.3	0	113.2	P92 S115 F119 A120	P92-K117 WeakPolarHBondContact CB-O 3.35Å; P92-K117 HydrophobicContact CG-CB 3.81Å; P92-K117 WeakPolarHBondContact CG-O 3.4Å; S115-K117 PolarHBondContact O-N 3.44Å; S115-K117 PolarHBondContact OG-N 2.89Å; K117-F119 VanDerWaalsContact C-N 3.3Å; K117-F119 PolarHBondContact O-N 2.81Å; K117-A120 PolarHBondContact O-N 2.98Å
118	T	94.1	Very high	95.8	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-41	-165.9	-52.5	0	0	0	0	112.7	L90 L114 S115	L90-T118 HydrophobicContact CB-CG2 4.01Å; L90-T118 HydrophobicContact CD2-CG2 4.47Å; L114-T118 HydrophobicContact CD2-CG2 4.32Å; S115-T118 PolarHBondContact N-OG1 3.04Å; S115-T118 WeakPolarHBondContact O-CB 3.44Å; S115-T118 PolarHBondContact O-N 3.25Å; S115-T118 PolarHBondContact O-OG1 3.02Å; S115-T118 VanDerWaalsContact O-OG1 3.08Å; S115-T118 PolarHBondContact OG-N 3.29Å; S115-T118 PolarHBondContact OG-OG1 2.97Å
119	F	96	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	13	177.7	-52.8	-65.6	0	0	0	113.5	L90 L104 L106 L111 L114 K117 F121 C122 L128 L130 F143 Q146	L90-F119 HydrophobicContact CD2-CD1 4.07Å; L90-F119 HydrophobicContact CD2-CE1 3.69Å; L104-F119 HydrophobicContact CD2-CD1 4.48Å; L104-F119 HydrophobicContact CD2-CE1 4.18Å; L106-F119 HydrophobicContact CD1-CE1 4.23Å; L111-F119 HydrophobicContact CD2-CZ 4.46Å; L114-F119 HydrophobicContact CD1-CE2 4.29Å; L114-F119 HydrophobicContact CD2-CE2 3.85Å; L114-F119 HydrophobicContact CD2-CZ 4.16Å; K117-F119 VanDerWaalsContact C-N 3.3Å; K117-F119 PolarHBondContact O-N 2.81Å; F119-F121 PolarHBondContact O-N 2.89Å; F119-C122 VanDerWaalsContact CA-SG 3.59Å; F119-C122 HydrophobicContact CB-CB 4.34Å; F119-C122 WeakPolarHBondContact O-CB 3.49Å; F119-C122 PolarHBondContact O-N 2.94Å; F119-L128 HydrophobicContact CD1-CD2 4.39Å; F119-L128 HydrophobicContact CD2-CD2 4.14Å; F119-L128 HydrophobicContact CE1-CD1 4Å; F119-L128 HydrophobicContact CE1-CD2 4.28Å; F119-L128 HydrophobicContact CE2-CD2 4.02Å; F119-L128 HydrophobicContact CG-CD2 4.33Å; F119-L128 HydrophobicContact CZ-CD1 4.18Å; F119-L128 HydrophobicContact CZ-CD2 4.1Å; F119-L130 HydrophobicContact CE2-CD1 4.11Å; F119-L130 HydrophobicContact CZ-CD1 4.05Å; F119-L130 HydrophobicContact CZ-CD2 4.09Å; F119-F143 HydrophobicContact CD2-CD1 4.17Å; F119-F143 AromaticContact CD2-CE1 4Å; F119-F143 HydrophobicContact CD2-CE1 4Å; F119-F143 AromaticContact CE2-CE1 3.94Å; F119-F143 HydrophobicContact CE2-CE1 3.94Å; F119-Q146 PolarHBondContact O-NE2 2.99Å
120	A	94.9	Very high	95.9	Very high	24 Å²	24	49.3 Å²	49.3	20%	0.198	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.1	-169.7	0	0	0	0	0	115	K117 K145	K117-A120 PolarHBondContact O-N 2.98Å; A120-K145 WeakPolarHBondContact O-CB 3.44Å; A120-K145 WeakPolarHBondContact O-CG 3.38Å
121	F	96.1	Very high	95.9	Very high	96 Å²	96	46.6 Å²	46.6	42%	0.421	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.4	-178.8	-55.8	-76.4	0	0	0	113.3	P92 C95 Q96 F119 T123	P92-F121 HydrophobicContact CB-CD2 3.91Å; P92-F121 HydrophobicContact CB-CE2 3.87Å; P92-F121 WeakPolarHBondContact O-CD2 3.15Å; C95-F121 HydrophobicContact CB-CB 4.09Å; Q96-F121 HydrophobicContact CG-CB 3.74Å; Q96-F121 HydrophobicContact CG-CD1 3.88Å; Q96-F121 HydrophobicContact CG-CD2 4.04Å; Q96-F121 HydrophobicContact CG-CG 3.6Å; F119-F121 PolarHBondContact O-N 2.89Å; F121-T123 PolarHBondContact O-N 3.01Å
122	C	95.7	Very high	96	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.041	25%	0.252	C	S	.	.			trans	-84.5	52.2	-177.6	-41.6	0	0	0	0	111.2	C95 F119 N124 L125 Q146	C95-C122 HydrophobicContact CB-CB 3.77Å; C95-C122 WeakPolarHBondContact CB-SG 3.44Å; C95-C122 WeakPolarHBondContact SG-CB 3.47Å; C95-C122 CovalentContact SG-SG 2.03Å; C95-C122 PolarHBondContact SG-SG 3.05Å; F119-C122 VanDerWaalsContact CA-SG 3.59Å; F119-C122 HydrophobicContact CB-CB 4.34Å; F119-C122 WeakPolarHBondContact O-CB 3.49Å; F119-C122 PolarHBondContact O-N 2.94Å; C122-N124 VanDerWaalsContact C-N 3.29Å; C122-N124 PolarHBondContact O-N 2.76Å; C122-L125 HydrophobicContact CB-CD1 3.51Å; C122-L125 HydrophobicContact CB-CG 3.84Å; C122-Q146 PolarHBondContact O-NE2 2.78Å
123	T	95.8	Very high	96.2	Very high	62 Å²	62	45.1 Å²	45.1	38%	0.38	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.8	-169.2	55.7	0	0	0	0	114.1	F121 K145 N148	F121-T123 PolarHBondContact O-N 3.01Å; T123-K145 HydrophobicContact CG2-CB 4.43Å; T123-N148 PolarHBondContact O-ND2 2.95Å
124	N	97.1	Very high	96.4	Very high	73 Å²	73	41.6 Å²	41.6	39%	0.39	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	2.9	-175.1	-66.1	-11	0	0	0	113.5	P99 L101 C122 T126	P99-N124 PolarHBondContact O-ND2 3.2Å; L101-N124 CarbonylContact O-C 3.31Å; L101-N124 VanDerWaalsContact O-C 3.24Å; C122-N124 VanDerWaalsContact C-N 3.29Å; C122-N124 PolarHBondContact O-N 2.76Å; N124-T126 PolarHBondContact O-N 2.73Å
125	L	98.3	Very high	96.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.221	C	C	.	.			trans	-61.6	126.3	175.2	-68.8	179.4	0	0	0	111.3	L101 K102 L104 C122 L128 N148 L149	L101-L125 HydrophobicContact CD2-CD2 4.13Å; L101-L125 HydrophobicContact CG-CD2 3.91Å; L101-L125 PolarHBondContact O-N 2.99Å; K102-L125 CarbonylContact O-C 3.46Å; K102-L125 VanDerWaalsContact O-CA 3.32Å; K102-L125 WeakPolarHBondContact O-CA 3.37Å; L104-L125 HydrophobicContact CB-CD1 4.4Å; L104-L125 HydrophobicContact CB-CD2 3.74Å; L104-L125 HydrophobicContact CD2-CD1 4.44Å; C122-L125 HydrophobicContact CB-CD1 3.51Å; C122-L125 HydrophobicContact CB-CG 3.84Å; L125-L128 HydrophobicContact CD1-CD1 4.43Å; L125-N148 CarbonylContact O-C 3.51Å; L125-L149 HydrophobicContact CB-CD1 4Å; L125-L149 WeakPolarHBondContact O-CA 3.24Å; L125-L149 PolarHBondContact O-N 3.17Å
126	T	98.5	Very high	96.7	Very high	35 Å²	35	44.8 Å²	44.8	22%	0.215	24%	0.235	C	C	.	.	S	Bend	trans	-99.3	-25.3	166.2	55.5	0	0	0	0	111.5	K102 N124 I150 T151	K102-T126 PolarHBondContact O-N 3.04Å; K102-T126 PolarHBondContact O-OG1 3Å; N124-T126 PolarHBondContact O-N 2.73Å; T126-I150 HydrophobicContact CG2-CD1 4.33Å; T126-I150 WeakPolarHBondContact O-CA 3.36Å; T126-I150 WeakPolarHBondContact O-CB 3.25Å; T126-I150 PolarHBondContact O-N 2.96Å; T126-T151 PolarHBondContact O-N 2.83Å; T126-T151 VanDerWaalsContact O-N 3.1Å
127	E	98.8	Very high	96.7	Very high	67 Å²	67	47.4 Å²	47.4	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.4	177.1	-61.2	177.5	-139.4	0	0	111.7	K102 V103 L104 H129 T151	K102-E127 PolarHBondContact O-N 2.97Å; V103-E127 HydrophobicContact CB-CB 4.38Å; V103-E127 HydrophobicContact CG1-CB 4.1Å; V103-E127 HydrophobicContact CG2-CB 4.13Å; V103-E127 HydrophobicContact CG2-CG 4.23Å; L104-E127 PolarHBondContact N-O 3.31Å; L104-E127 VanDerWaalsContact N-O 3.13Å; E127-H129 IonicContact OE2-CD2 3.64Å; E127-H129 IonicContact OE2-CE1 2.71Å; E127-H129 IonicContact OE2-NE2 2.6Å; E127-H129 PolarHBondContact OE2-NE2 3.04Å; E127-T151 WeakPolarHBondContact CA-O 3.02Å
128	L	98.7	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	110.6	174.7	178.6	56.9	0	0	0	110.2	L104 F119 L125 L130 F143 L149 T151 L152 D153	L104-L128 HydrophobicContact CB-CD1 4.21Å; L104-L128 HydrophobicContact CD2-CD1 4.1Å; L104-L128 HydrophobicContact CG-CD1 4.15Å; F119-L128 HydrophobicContact CD1-CD2 4.39Å; F119-L128 HydrophobicContact CD2-CD2 4.14Å; F119-L128 HydrophobicContact CE1-CD1 4Å; F119-L128 HydrophobicContact CE1-CD2 4.28Å; F119-L128 HydrophobicContact CE2-CD2 4.02Å; F119-L128 HydrophobicContact CG-CD2 4.33Å; F119-L128 HydrophobicContact CZ-CD1 4.18Å; F119-L128 HydrophobicContact CZ-CD2 4.1Å; L125-L128 HydrophobicContact CD1-CD1 4.43Å; L128-L130 HydrophobicContact CD1-CD1 4.26Å; L128-L130 HydrophobicContact CD1-CD2 4.39Å; L128-L130 HydrophobicContact CD1-CG 4.11Å; L128-L130 HydrophobicContact CD2-CD1 3.96Å; L128-L130 HydrophobicContact CG-CD1 3.88Å; L128-L130 HydrophobicContact CG-CG 4.06Å; L128-F143 HydrophobicContact CD2-CD1 4.12Å; L128-F143 HydrophobicContact CD2-CE1 3.83Å; L128-L149 HydrophobicContact CB-CD1 3.91Å; L128-L149 HydrophobicContact CB-CD2 4.44Å; L128-T151 PolarHBondContact N-O 3.1Å; L128-T151 VanDerWaalsContact N-O 3.08Å; L128-L152 HydrophobicContact CB-CD1 4.17Å; L128-L152 HydrophobicContact CD2-CD1 4.12Å; L128-L152 HydrophobicContact CG-CD1 4.15Å; L128-D153 PolarHBondContact O-N 2.93Å
129	H	98.6	Very high	96.2	Very high	38 Å²	38	49 Å²	49	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.5	-176.5	-55.7	-70.3	0	0	0	110.1	L104 N105 L106 Q107 E127	L104-H129 PolarHBondContact O-N 3.03Å; N105-H129 HydrophobicContact CB-CB 4.34Å; N105-H129 WeakPolarHBondContact OD1-CB 3.33Å; L106-H129 CarbonylContact C-O 2.97Å; L106-H129 WeakPolarHBondContact CA-O 3.36Å; L106-H129 PolarHBondContact N-O 3.1Å; Q107-H129 PolarHBondContact N-O 3.16Å; E127-H129 IonicContact OE2-CD2 3.64Å; E127-H129 IonicContact OE2-CE1 2.71Å; E127-H129 IonicContact OE2-NE2 2.6Å; E127-H129 PolarHBondContact OE2-NE2 3.04Å
130	L	98.3	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.			trans	-122.6	22	-176.2	-66.9	166.2	0	0	0	112.1	L106 L111 L114 F119 L128 N133 I135 F143 D153 L154 N157	L106-L130 HydrophobicContact CB-CD2 3.84Å; L106-L130 HydrophobicContact CD1-CD2 4Å; L111-L130 HydrophobicContact CD2-CD2 4.01Å; L114-L130 HydrophobicContact CD1-CD1 4.18Å; F119-L130 HydrophobicContact CE2-CD1 4.11Å; F119-L130 HydrophobicContact CZ-CD1 4.05Å; F119-L130 HydrophobicContact CZ-CD2 4.09Å; L128-L130 HydrophobicContact CD1-CD1 4.26Å; L128-L130 HydrophobicContact CD1-CD2 4.39Å; L128-L130 HydrophobicContact CD1-CG 4.11Å; L128-L130 HydrophobicContact CD2-CD1 3.96Å; L128-L130 HydrophobicContact CG-CD1 3.88Å; L128-L130 HydrophobicContact CG-CG 4.06Å; L130-N133 PolarHBondContact O-ND2 2.94Å; L130-I135 HydrophobicContact CB-CD1 4.34Å; L130-F143 HydrophobicContact CD1-CE1 4.17Å; L130-F143 HydrophobicContact CD1-CZ 4.3Å; L130-D153 CarbonylContact C-O 3.52Å; L130-D153 WeakPolarHBondContact CA-O 3.3Å; L130-D153 WeakPolarHBondContact CB-O 3.44Å; L130-D153 PolarHBondContact N-O 2.65Å; L130-L154 HydrophobicContact CB-CD2 3.88Å; L130-L154 HydrophobicContact CD1-CD2 3.97Å; L130-N157 PolarHBondContact O-ND2 3.39Å
131	M	97.9	Very high	95.9	Very high	44 Å²	44	50.3 Å²	50.3	22%	0.217	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	141.9	174.8	-168.3	-162.3	-177.9	0	0	111.6	Q107 H108 N133 S155 H156	Q107-M131 CarbonylContact C-O 3.59Å; Q107-M131 VanDerWaalsContact CA-O 3.31Å; Q107-M131 WeakPolarHBondContact CA-O 3.46Å; Q107-M131 HydrophobicContact CB-CB 4.04Å; H108-M131 PolarHBondContact N-O 3.47Å; M131-N133 PolarHBondContact O-N 3.37Å; M131-N133 PolarHBondContact O-ND2 3.32Å; M131-S155 VanDerWaalsContact CA-O 3.28Å; M131-S155 WeakPolarHBondContact CA-O 3.49Å; M131-H156 WeakPolarHBondContact CE-CD2 3.42Å; M131-H156 HydrophobicContact CG-CB 4.3Å
132	S	97.9	Very high	95.9	Very high	23 Å²	23	45.8 Å²	45.8	16%	0.161	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	42.2	169.8	-56.3	0	0	0	0	115	H108 S155 H156	H108-S132 VanDerWaalsContact CE1-CB 3.49Å; H108-S132 WeakPolarHBondContact CE1-CB 3.48Å; H108-S132 PolarHBondContact CE1-OG 2.96Å; H108-S132 WeakPolarHBondContact NE2-CB 3.28Å; H108-S132 PolarHBondContact NE2-OG 3.29Å; S132-S155 PolarHBondContact N-O 2.77Å; S132-H156 WeakPolarHBondContact CA-O 3.36Å; S132-H156 WeakPolarHBondContact OG-CB 3.49Å
133	N	97.8	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-106.3	8.4	179.2	-89.1	-89.5	0	0	0	114.6	L106 N109 L111 S112 L130 M131 I135 N157	L106-N133 PolarHBondContact O-ND2 2.92Å; N109-N133 VanDerWaalsContact C-OD1 3.23Å; N109-N133 WeakPolarHBondContact CB-OD1 3.47Å; N109-N133 WeakPolarHBondContact O-CA 3.37Å; N109-N133 PolarHBondContact O-OD1 3.32Å; L111-N133 HydrophobicContact CB-CB 4.45Å; L111-N133 WeakPolarHBondContact CB-OD1 3.32Å; L111-N133 PolarHBondContact N-OD1 2.95Å; S112-N133 WeakPolarHBondContact CA-O 3.24Å; S112-N133 PolarHBondContact N-O 2.96Å; L130-N133 PolarHBondContact O-ND2 2.94Å; M131-N133 PolarHBondContact O-N 3.37Å; M131-N133 PolarHBondContact O-ND2 3.32Å; N133-I135 HydrophobicContact CB-CD1 3.95Å; N133-I135 HydrophobicContact CB-CG1 3.86Å; N133-I135 PolarHBondContact O-N 3.26Å; N133-N157 VanDerWaalsContact C-OD1 3.31Å; N133-N157 WeakPolarHBondContact CA-OD1 3.49Å; N133-N157 PolarHBondContact N-OD1 3.43Å
134	S	97.1	Very high	96	Very high	80 Å²	80	44.5 Å²	44.5	56%	0.559	23%	0.227	S	C	*	.			trans	55.3	27.5	-176.4	-59.4	0	0	0	0	114.7	Q136 N157	S134-Q136 PolarHBondContact O-N 2.8Å; S134-N157 PolarHBondContact N-OD1 2.95Å
135	I	97.1	Very high	96	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.232	C	C	.	.			trans	-68.8	115.4	179.4	-57.2	167.1	0	0	0	109.2	L111 L114 L130 N133 I138 L154 N157 G158 L159	L111-I135 WeakPolarHBondContact O-CG1 3.28Å; L114-I135 HydrophobicContact CD1-CD1 4.19Å; L114-I135 HydrophobicContact CG-CD1 4.39Å; L130-I135 HydrophobicContact CB-CD1 4.34Å; N133-I135 HydrophobicContact CB-CD1 3.95Å; N133-I135 HydrophobicContact CB-CG1 3.86Å; N133-I135 PolarHBondContact O-N 3.26Å; I135-I138 HydrophobicContact CG2-CG1 4.44Å; I135-L154 HydrophobicContact CD1-CD2 3.89Å; I135-N157 HydrophobicContact CB-CB 4.27Å; I135-N157 PolarHBondContact N-OD1 3.08Å; I135-G158 CarbonylContact O-C 3.36Å; I135-G158 VanDerWaalsContact O-CA 3.32Å; I135-G158 WeakPolarHBondContact O-CA 3.45Å; I135-G158 PolarHBondContact O-N 2.83Å; I135-L159 HydrophobicContact CG2-CD2 3.93Å; I135-L159 PolarHBondContact O-N 3.34Å
136	Q	94.9	Very high	96	Very high	147 Å²	147	46.4 Å²	46.4	69%	0.687	23%	0.232	S	C	*	.			trans	-93.7	-32.7	-175.5	-61.4	-178	13.2	0	0	113.7	S134	S134-Q136 PolarHBondContact O-N 2.8Å
137	K	93.1	Very high	95.8	Very high	140 Å²	140	50 Å²	50	61%	0.609	24%	0.244	S	C	*	.			trans	-159	132	-179.8	-177.9	161.8	-174.7	164.5	0	112.1	K139	K137-K139 HydrophobicContact CD-CG 4.41Å; K137-K139 HydrophobicContact CG-CG 4.06Å
138	I	94.7	Very high	95.8	Very high	15 Å²	15	50.3 Å²	50.3	8%	0.077	25%	0.248	C	C	.	.			trans	-88.5	137.4	163.9	-65.7	158.8	0	0	0	107.8	I135 P142 F143 L154 L159 L164	I135-I138 HydrophobicContact CG2-CG1 4.44Å; I138-P142 HydrophobicContact CG2-CG 3.84Å; I138-F143 HydrophobicContact CD1-CE2 3.98Å; I138-F143 HydrophobicContact CD1-CZ 4.45Å; I138-L154 HydrophobicContact CD1-CD1 4.19Å; I138-L159 HydrophobicContact CD1-CD2 4.41Å; I138-L159 HydrophobicContact CG1-CD2 4.49Å; I138-L164 HydrophobicContact CD1-CD2 3.61Å
139	K	83.4	Confident	95.7	Very high	178 Å²	178	50.3 Å²	50.3	77%	0.774	25%	0.248	S	C	*	.			trans	-123.8	-10.5	-171.9	-65.8	-175.5	-178.2	178	0	114.6	K137	K137-K139 HydrophobicContact CD-CG 4.41Å; K137-K139 HydrophobicContact CG-CG 4.06Å
140	S	89.5	Confident	95.7	Very high	28 Å²	28	51.4 Å²	51.4	20%	0.196	26%	0.255	C	S	.	.	S	Bend	trans	-142.9	-151.2	-170.9	68.4	0	0	0	0	109	D116 P142 G165	D116-S140 VanDerWaalsContact CG-OG 3.32Å; D116-S140 WeakPolarHBondContact OD1-CB 3.47Å; D116-S140 PolarHBondContact OD1-OG 2.93Å; D116-S140 WeakPolarHBondContact OD2-CB 3.31Å; S140-P142 VanDerWaalsContact O-CD 3.24Å; S140-P142 WeakPolarHBondContact O-CD 3.25Å; S140-G165 WeakPolarHBondContact O-CA 3.48Å
141	N	95.7	Very high	95.8	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.118	26%	0.26	C	S	.	.			trans	-118.5	61.6	-175.9	-62.1	-84.5	0	0	0	112.1	D116 F143 V144 G165 T166	D116-N141 VanDerWaalsContact OD1-C 3.27Å; D116-N141 WeakPolarHBondContact OD1-CA 3.43Å; D116-N141 PolarHBondContact OD1-N 3.28Å; N141-F143 PolarHBondContact O-N 3.07Å; N141-F143 VanDerWaalsContact O-N 3.08Å; N141-V144 HydrophobicContact CB-CB 4.13Å; N141-V144 HydrophobicContact CB-CG1 4.39Å; N141-V144 WeakPolarHBondContact O-CG1 3.22Å; N141-V144 PolarHBondContact O-N 3.21Å; N141-G165 VanDerWaalsContact OD1-CA 3.3Å; N141-G165 WeakPolarHBondContact OD1-CA 3.35Å; N141-T166 PolarHBondContact ND2-OG1 3.18Å; N141-T166 PolarHBondContact OD1-N 2.93Å; N141-T166 PolarHBondContact OD1-OG1 3.38Å
142	P	96	Very high	95.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.013	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.1	-174.1	29.7	-37.2	0	0	0	114.5	L114 I138 S140 Q146	L114-P142 HydrophobicContact CB-CB 4.09Å; L114-P142 HydrophobicContact CB-CG 4.28Å; I138-P142 HydrophobicContact CG2-CG 3.84Å; S140-P142 VanDerWaalsContact O-CD 3.24Å; S140-P142 WeakPolarHBondContact O-CD 3.25Å; P142-Q146 PolarHBondContact O-OE1 3.44Å
143	F	97.2	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	4.9	-176.2	-51.4	-55.7	0	0	0	114	L114 F119 L128 L130 I138 N141 K145 Q146 L152 L154 L164 L170	L114-F143 HydrophobicContact CD1-CE1 4.2Å; L114-F143 HydrophobicContact CD1-CZ 3.74Å; F119-F143 HydrophobicContact CD2-CD1 4.17Å; F119-F143 AromaticContact CD2-CE1 4Å; F119-F143 HydrophobicContact CD2-CE1 4Å; F119-F143 AromaticContact CE2-CE1 3.94Å; F119-F143 HydrophobicContact CE2-CE1 3.94Å; L128-F143 HydrophobicContact CD2-CD1 4.12Å; L128-F143 HydrophobicContact CD2-CE1 3.83Å; L130-F143 HydrophobicContact CD1-CE1 4.17Å; L130-F143 HydrophobicContact CD1-CZ 4.3Å; I138-F143 HydrophobicContact CD1-CE2 3.98Å; I138-F143 HydrophobicContact CD1-CZ 4.45Å; N141-F143 PolarHBondContact O-N 3.07Å; N141-F143 VanDerWaalsContact O-N 3.08Å; F143-K145 PolarHBondContact O-N 3.01Å; F143-Q146 WeakPolarHBondContact O-CB 3.06Å; F143-Q146 PolarHBondContact O-N 2.82Å; F143-Q146 PolarHBondContact O-OE1 3.1Å; F143-L152 HydrophobicContact CD2-CD2 4.09Å; F143-L152 HydrophobicContact CE1-CD1 4.16Å; F143-L152 HydrophobicContact CE2-CD2 4Å; F143-L152 HydrophobicContact CG-CD2 4.43Å; F143-L152 HydrophobicContact CZ-CD1 4.2Å; F143-L152 HydrophobicContact CZ-CD2 4.27Å; F143-L154 HydrophobicContact CE2-CD1 4.13Å; F143-L154 HydrophobicContact CZ-CD1 4.18Å; F143-L154 HydrophobicContact CZ-CD2 4.49Å; F143-L164 HydrophobicContact CD2-CB 4.17Å; F143-L164 HydrophobicContact CE2-CB 4.29Å; F143-L170 HydrophobicContact CB-CD1 4.08Å; F143-L170 HydrophobicContact CB-CD2 4.13Å; F143-L170 HydrophobicContact CB-CG 4.29Å
144	V	96.4	Very high	95.9	Very high	41 Å²	41	50 Å²	50	25%	0.248	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15	-173.2	71.2	0	0	0	0	114.3	N141 Q169	N141-V144 HydrophobicContact CB-CB 4.13Å; N141-V144 HydrophobicContact CB-CG1 4.39Å; N141-V144 WeakPolarHBondContact O-CG1 3.22Å; N141-V144 PolarHBondContact O-N 3.21Å; V144-Q169 VanDerWaalsContact CA-OE1 3.27Å; V144-Q169 VanDerWaalsContact N-OE1 3.16Å
145	K	96.7	Very high	96	Very high	113 Å²	113	46.4 Å²	46.4	49%	0.491	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-7.4	178.8	-57.3	-55.7	-175.5	-176	0	112.8	A120 T123 F143 K147	A120-K145 WeakPolarHBondContact O-CB 3.44Å; A120-K145 WeakPolarHBondContact O-CG 3.38Å; T123-K145 HydrophobicContact CG2-CB 4.43Å; F143-K145 PolarHBondContact O-N 3.01Å; K145-K147 PolarHBondContact O-N 3.03Å
146	Q	97.2	Very high	96	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.239	C	C	.	.			trans	-86.1	49.7	-175.5	-75.6	47.4	65.9	0	0	110.6	F119 C122 P142 F143 N148 L149 L170	F119-Q146 PolarHBondContact O-NE2 2.99Å; C122-Q146 PolarHBondContact O-NE2 2.78Å; P142-Q146 PolarHBondContact O-OE1 3.44Å; F143-Q146 WeakPolarHBondContact O-CB 3.06Å; F143-Q146 PolarHBondContact O-N 2.82Å; F143-Q146 PolarHBondContact O-OE1 3.1Å; Q146-N148 PolarHBondContact O-N 2.79Å; Q146-L149 HydrophobicContact CB-CB 4.04Å; Q146-L149 HydrophobicContact CB-CD2 4.13Å; Q146-L149 VanDerWaalsContact O-CB 3.23Å; Q146-L149 WeakPolarHBondContact O-CB 3.02Å; Q146-L149 PolarHBondContact O-N 3.27Å; Q146-L149 VanDerWaalsContact O-N 3.12Å; Q146-L170 HydrophobicContact CB-CD2 4.05Å
147	K	95.4	Very high	96.2	Very high	110 Å²	110	43.8 Å²	43.8	48%	0.478	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.4	-175.6	-76.6	-176.5	169.2	-83.4	0	114	K145 E171 N172	K145-K147 PolarHBondContact O-N 3.03Å; K147-E171 IonicContact NZ-OE1 3.69Å; K147-E171 PolarHBondContact NZ-OE1 3.26Å; K147-E171 IonicContact NZ-OE2 2.66Å; K147-N172 PolarHBondContact O-ND2 2.99Å
148	N	97.3	Very high	96.4	Very high	74 Å²	74	38 Å²	38	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.5	179.8	-62.2	-51.8	0	0	0	113.4	T123 L125 Q146 I150	T123-N148 PolarHBondContact O-ND2 2.95Å; L125-N148 CarbonylContact O-C 3.51Å; Q146-N148 PolarHBondContact O-N 2.79Å; N148-I150 PolarHBondContact O-N 3.19Å
149	L	98.4	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.			trans	-70.5	127.9	-173.7	-158.6	67.7	0	0	0	110.9	L125 L128 Q146 L152 L170 N172 L173	L125-L149 HydrophobicContact CB-CD1 4Å; L125-L149 WeakPolarHBondContact O-CA 3.24Å; L125-L149 PolarHBondContact O-N 3.17Å; L128-L149 HydrophobicContact CB-CD1 3.91Å; L128-L149 HydrophobicContact CB-CD2 4.44Å; Q146-L149 HydrophobicContact CB-CB 4.04Å; Q146-L149 HydrophobicContact CB-CD2 4.13Å; Q146-L149 VanDerWaalsContact O-CB 3.23Å; Q146-L149 WeakPolarHBondContact O-CB 3.02Å; Q146-L149 PolarHBondContact O-N 3.27Å; Q146-L149 VanDerWaalsContact O-N 3.12Å; L149-L152 HydrophobicContact CD2-CB 3.91Å; L149-L152 HydrophobicContact CD2-CD1 4.28Å; L149-L152 HydrophobicContact CD2-CD2 4.44Å; L149-L152 HydrophobicContact CD2-CG 4.44Å; L149-L170 HydrophobicContact CB-CD2 4.04Å; L149-L170 HydrophobicContact CD2-CD2 3.75Å; L149-N172 CarbonylContact O-C 3.52Å; L149-N172 VanDerWaalsContact O-C 3.26Å; L149-L173 HydrophobicContact CB-CD1 4.35Å; L149-L173 HydrophobicContact CD2-CD1 4.16Å; L149-L173 HydrophobicContact CG-CD1 4.1Å; L149-L173 VanDerWaalsContact O-CA 3.25Å; L149-L173 WeakPolarHBondContact O-CA 3.24Å; L149-L173 PolarHBondContact O-N 3.21Å
150	I	98.6	Very high	97.2	Very high	61 Å²	61	32.5 Å²	32.5	31%	0.313	17%	0.174	S	C	.	.			trans	-101.7	-43.4	178.6	-62	176.4	0	0	0	109.3	T126 N148 L173 Q174 E175	T126-I150 HydrophobicContact CG2-CD1 4.33Å; T126-I150 WeakPolarHBondContact O-CA 3.36Å; T126-I150 WeakPolarHBondContact O-CB 3.25Å; T126-I150 PolarHBondContact O-N 2.96Å; N148-I150 PolarHBondContact O-N 3.19Å; I150-L173 WeakPolarHBondContact O-CD1 3.38Å; I150-Q174 HydrophobicContact CG2-CB 4.05Å; I150-Q174 HydrophobicContact CG2-CG 4.41Å; I150-Q174 PolarHBondContact O-N 3.27Å; I150-E175 PolarHBondContact O-N 3.18Å
151	T	98.8	Very high	97.5	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	-177.4	-57.7	0	0	0	0	111.4	T126 E127 L128 E175 L177	T126-T151 PolarHBondContact O-N 2.83Å; T126-T151 VanDerWaalsContact O-N 3.1Å; E127-T151 WeakPolarHBondContact CA-O 3.02Å; L128-T151 PolarHBondContact N-O 3.1Å; L128-T151 VanDerWaalsContact N-O 3.08Å; T151-E175 WeakPolarHBondContact CA-O 3.13Å; T151-E175 HydrophobicContact CG2-CB 4.08Å; T151-L177 HydrophobicContact CG2-CD1 3.85Å
152	L	98.8	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.3	172.9	177.8	57.2	0	0	0	109.4	L128 F143 L149 L154 L164 L170 L173 E175 L176 L177	L128-L152 HydrophobicContact CB-CD1 4.17Å; L128-L152 HydrophobicContact CD2-CD1 4.12Å; L128-L152 HydrophobicContact CG-CD1 4.15Å; F143-L152 HydrophobicContact CD2-CD2 4.09Å; F143-L152 HydrophobicContact CE1-CD1 4.16Å; F143-L152 HydrophobicContact CE2-CD2 4Å; F143-L152 HydrophobicContact CG-CD2 4.43Å; F143-L152 HydrophobicContact CZ-CD1 4.2Å; F143-L152 HydrophobicContact CZ-CD2 4.27Å; L149-L152 HydrophobicContact CD2-CB 3.91Å; L149-L152 HydrophobicContact CD2-CD1 4.28Å; L149-L152 HydrophobicContact CD2-CD2 4.44Å; L149-L152 HydrophobicContact CD2-CG 4.44Å; L152-L154 HydrophobicContact CD1-CD1 4.39Å; L152-L154 HydrophobicContact CD1-CG 4.31Å; L152-L154 HydrophobicContact CD2-CD1 4.09Å; L152-L154 HydrophobicContact CG-CD1 4.14Å; L152-L154 HydrophobicContact CG-CG 4.35Å; L152-L164 HydrophobicContact CD2-CD1 3.88Å; L152-L170 HydrophobicContact CD2-CD1 4.18Å; L152-L173 HydrophobicContact CB-CD1 3.96Å; L152-E175 PolarHBondContact N-O 3.25Å; L152-L176 HydrophobicContact CB-CD1 4.33Å; L152-L176 HydrophobicContact CD2-CD1 4.19Å; L152-L176 HydrophobicContact CG-CD1 4.28Å; L152-L177 PolarHBondContact O-N 2.76Å
153	D	98.8	Very high	97.6	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.107	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.4	173.6	-171.9	16.8	0	0	0	112.1	L128 L130 S155 L177	L128-D153 PolarHBondContact O-N 2.93Å; L130-D153 CarbonylContact C-O 3.52Å; L130-D153 WeakPolarHBondContact CA-O 3.3Å; L130-D153 WeakPolarHBondContact CB-O 3.44Å; L130-D153 PolarHBondContact N-O 2.65Å; D153-S155 WeakPolarHBondContact OD1-CB 3.5Å; D153-S155 PolarHBondContact OD1-N 2.93Å; D153-S155 PolarHBondContact OD1-OG 2.88Å; D153-L177 HydrophobicContact CB-CB 4.13Å; D153-L177 HydrophobicContact CB-CD1 4.33Å; D153-L177 VanDerWaalsContact OD1-CB 3.23Å; D153-L177 WeakPolarHBondContact OD1-CB 3.29Å
154	L	98.4	Very high	97.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.			trans	-123.9	21	175.2	-75	164.6	0	0	0	110.9	L130 I135 I138 F143 L152 N157 L159 L164 L177 L178 N181	L130-L154 HydrophobicContact CB-CD2 3.88Å; L130-L154 HydrophobicContact CD1-CD2 3.97Å; I135-L154 HydrophobicContact CD1-CD2 3.89Å; I138-L154 HydrophobicContact CD1-CD1 4.19Å; F143-L154 HydrophobicContact CE2-CD1 4.13Å; F143-L154 HydrophobicContact CZ-CD1 4.18Å; F143-L154 HydrophobicContact CZ-CD2 4.49Å; L152-L154 HydrophobicContact CD1-CD1 4.39Å; L152-L154 HydrophobicContact CD1-CG 4.31Å; L152-L154 HydrophobicContact CD2-CD1 4.09Å; L152-L154 HydrophobicContact CG-CD1 4.14Å; L152-L154 HydrophobicContact CG-CG 4.35Å; L154-N157 VanDerWaalsContact C-ND2 3.34Å; L154-N157 WeakPolarHBondContact O-CB 3.47Å; L154-N157 PolarHBondContact O-ND2 3.13Å; L154-L159 HydrophobicContact CB-CD1 4.09Å; L154-L159 HydrophobicContact CD1-CD1 4.49Å; L154-L164 HydrophobicContact CD1-CD1 4.24Å; L154-L164 HydrophobicContact CD1-CD2 3.8Å; L154-L177 CarbonylContact C-O 3.57Å; L154-L177 WeakPolarHBondContact CA-O 3.36Å; L154-L177 PolarHBondContact N-O 3.04Å; L154-L178 HydrophobicContact CB-CD2 3.85Å; L154-L178 HydrophobicContact CD1-CD2 4.29Å; L154-N181 PolarHBondContact O-ND2 2.03Å
155	S	98.5	Very high	97.5	Very high	3 Å²	3	33 Å²	33	2%	0.021	17%	0.173	C	C	.	.			trans	-64.6	161.4	-179.7	-60	0	0	0	0	113.6	M131 S132 D153 N157 S179	M131-S155 VanDerWaalsContact CA-O 3.28Å; M131-S155 WeakPolarHBondContact CA-O 3.49Å; S132-S155 PolarHBondContact N-O 2.77Å; D153-S155 WeakPolarHBondContact OD1-CB 3.5Å; D153-S155 PolarHBondContact OD1-N 2.93Å; D153-S155 PolarHBondContact OD1-OG 2.88Å; S155-N157 PolarHBondContact O-N 2.84Å; S155-N157 PolarHBondContact O-ND2 3.07Å; S155-S179 CarbonylContact C-O 3.55Å; S155-S179 WeakPolarHBondContact CA-O 3.44Å; S155-S179 WeakPolarHBondContact CB-O 3.41Å; S155-S179 WeakPolarHBondContact CB-OG 3.3Å; S155-S179 PolarHBondContact OG-N 2.91Å; S155-S179 PolarHBondContact OG-OG 2.79Å
156	H	98.2	Very high	97.3	Very high	83 Å²	83	32 Å²	32	38%	0.384	18%	0.176	S	C	.	.	S	Bend	trans	55	34	178.8	-65	-97.3	0	0	0	113.8	M131 S132 S179 N180	M131-H156 WeakPolarHBondContact CE-CD2 3.42Å; M131-H156 HydrophobicContact CG-CB 4.3Å; S132-H156 WeakPolarHBondContact CA-O 3.36Å; S132-H156 WeakPolarHBondContact OG-CB 3.49Å; H156-S179 PolarHBondContact N-O 2.96Å; H156-N180 WeakPolarHBondContact CA-O 3.05Å; H156-N180 HydrophobicContact CB-CB 4.45Å; H156-N180 PolarHBondContact NE2-ND2 3.3Å
157	N	98.3	Very high	97.2	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.059	20%	0.199	C	C	.	.	S	Bend	trans	-108.8	-173	177.2	-81.3	-68.3	0	0	0	111.1	L130 N133 S134 I135 L154 S155 L159 N181	L130-N157 PolarHBondContact O-ND2 3.39Å; N133-N157 VanDerWaalsContact C-OD1 3.31Å; N133-N157 WeakPolarHBondContact CA-OD1 3.49Å; N133-N157 PolarHBondContact N-OD1 3.43Å; S134-N157 PolarHBondContact N-OD1 2.95Å; I135-N157 HydrophobicContact CB-CB 4.27Å; I135-N157 PolarHBondContact N-OD1 3.08Å; L154-N157 VanDerWaalsContact C-ND2 3.34Å; L154-N157 WeakPolarHBondContact O-CB 3.47Å; L154-N157 PolarHBondContact O-ND2 3.13Å; S155-N157 PolarHBondContact O-N 2.84Å; S155-N157 PolarHBondContact O-ND2 3.07Å; N157-L159 HydrophobicContact CB-CG 4.35Å; N157-N181 WeakPolarHBondContact CA-OD1 3.19Å; N157-N181 VanDerWaalsContact CB-OD1 3.24Å; N157-N181 WeakPolarHBondContact CB-OD1 3.3Å; N157-N181 PolarHBondContact O-OD1 2.98Å
158	G	97.4	Very high	97.3	Very high	17 Å²	17	34.9 Å²	34.9	18%	0.175	20%	0.196	C	C	.	.			trans	-99.3	13.6	-179.6	0	0	0	0	0	114.5	I135 S160	I135-G158 CarbonylContact O-C 3.36Å; I135-G158 VanDerWaalsContact O-CA 3.32Å; I135-G158 WeakPolarHBondContact O-CA 3.45Å; I135-G158 PolarHBondContact O-N 2.83Å; G158-S160 PolarHBondContact O-N 3.34Å
159	L	97.8	Very high	97.2	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	18%	0.178	C	C	.	.			trans	-64.5	128.5	-170	-60.1	172.9	0	0	0	111.2	I135 I138 L154 N157 L178 N181 K182 I183	I135-L159 HydrophobicContact CG2-CD2 3.93Å; I135-L159 PolarHBondContact O-N 3.34Å; I138-L159 HydrophobicContact CD1-CD2 4.41Å; I138-L159 HydrophobicContact CG1-CD2 4.49Å; L154-L159 HydrophobicContact CB-CD1 4.09Å; L154-L159 HydrophobicContact CD1-CD1 4.49Å; N157-L159 HydrophobicContact CB-CG 4.35Å; L159-L178 HydrophobicContact CD1-CD2 3.79Å; L159-N181 HydrophobicContact CB-CB 4.35Å; L159-N181 VanDerWaalsContact CB-OD1 3.25Å; L159-N181 WeakPolarHBondContact CB-OD1 3.48Å; L159-N181 WeakPolarHBondContact CG-OD1 3.29Å; L159-N181 PolarHBondContact N-OD1 2.91Å; L159-K182 CarbonylContact O-C 3.24Å; L159-K182 VanDerWaalsContact O-C 3.25Å; L159-K182 VanDerWaalsContact O-CA 3.3Å; L159-K182 WeakPolarHBondContact O-CA 3.25Å; L159-K182 PolarHBondContact O-N 2.98Å; L159-I183 PolarHBondContact O-N 3.46Å
160	S	96.7	Very high	97.2	Very high	74 Å²	74	31.6 Å²	31.6	52%	0.517	18%	0.179	S	C	.	.	S	Bend	trans	-98.7	5.3	178.7	73.9	0	0	0	0	114.2	G158	G158-S160 PolarHBondContact O-N 3.34Å
161	S	96.4	Very high	97	Very high	30 Å²	30	31.4 Å²	31.4	21%	0.21	18%	0.177	C	C	.	.	S	Bend	trans	-161.3	150.5	-164.4	163.3	0	0	0	0	108.5	K163 E190	S161-K163 VanDerWaalsContact C-N 3.34Å; S161-K163 PolarHBondContact OG-N 3.11Å; S161-E190 WeakPolarHBondContact CB-OE1 3.28Å; S161-E190 PolarHBondContact OG-OE1 2.78Å; S161-E190 PolarHBondContact OG-OE2 2.85Å; S161-E190 VanDerWaalsContact OG-OE2 3.12Å
162	T	96.8	Very high	97	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.194	C	C	.	.			trans	-83.5	-5.7	176.5	54.4	0	0	0	0	113.8	L164 L178 I183 L186 E190 L191 L204	T162-L164 WeakPolarHBondContact O-CG 3.37Å; T162-L164 PolarHBondContact O-N 2.99Å; T162-L164 VanDerWaalsContact O-N 3.1Å; T162-L178 HydrophobicContact CG2-CD1 4.22Å; T162-I183 HydrophobicContact CG2-CD1 3.93Å; T162-I183 HydrophobicContact CG2-CG2 4.19Å; T162-L186 HydrophobicContact CG2-CD2 3.58Å; T162-E190 PolarHBondContact N-OE2 2.93Å; T162-E190 WeakPolarHBondContact OG1-CB 3.37Å; T162-E190 PolarHBondContact OG1-OE2 3.49Å; T162-L191 HydrophobicContact CG2-CD2 4.4Å; T162-L204 HydrophobicContact CG2-CD2 4.33Å
163	K	96.8	Very high	97	Very high	64 Å²	64	34.8 Å²	34.8	28%	0.278	19%	0.194	S	C	.	.			trans	-73	105.1	-170.8	-162.9	160.3	-169	64	0	113.2	S161 G165 E189 E190 D192	S161-K163 VanDerWaalsContact C-N 3.34Å; S161-K163 PolarHBondContact OG-N 3.11Å; K163-G165 WeakPolarHBondContact CE-O 3.24Å; K163-G165 WeakPolarHBondContact CG-O 3.24Å; K163-G165 PolarHBondContact NZ-O 2.76Å; K163-G165 VanDerWaalsContact NZ-O 3.15Å; K163-E189 WeakPolarHBondContact CE-O 3.11Å; K163-E189 PolarHBondContact NZ-O 2.91Å; K163-E190 HydrophobicContact CB-CB 3.93Å; K163-E190 HydrophobicContact CB-CG 3.99Å; K163-E190 HydrophobicContact CD-CG 4.48Å; K163-E190 HydrophobicContact CG-CB 4.5Å; K163-D192 IonicContact NZ-OD1 3.22Å; K163-D192 PolarHBondContact NZ-OD1 2.71Å; K163-D192 IonicContact NZ-OD2 4Å
164	L	96.6	Very high	97	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.201	C	C	.	.			trans	-95.7	3.2	177.3	-43.4	-179	0	0	0	114.1	I138 F143 L152 L154 T162 Q169 L176 I193	I138-L164 HydrophobicContact CD1-CD2 3.61Å; F143-L164 HydrophobicContact CD2-CB 4.17Å; F143-L164 HydrophobicContact CE2-CB 4.29Å; L152-L164 HydrophobicContact CD2-CD1 3.88Å; L154-L164 HydrophobicContact CD1-CD1 4.24Å; L154-L164 HydrophobicContact CD1-CD2 3.8Å; T162-L164 WeakPolarHBondContact O-CG 3.37Å; T162-L164 PolarHBondContact O-N 2.99Å; T162-L164 VanDerWaalsContact O-N 3.1Å; L164-Q169 PolarHBondContact O-NE2 3.09Å; L164-Q169 VanDerWaalsContact O-NE2 3.17Å; L164-L176 HydrophobicContact CD1-CD1 3.94Å; L164-L176 HydrophobicContact CD1-CD2 4.37Å; L164-I193 HydrophobicContact CB-CD1 3.65Å; L164-I193 HydrophobicContact CG-CD1 4.25Å
165	G	94.9	Very high	97	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	22%	0.216	C	C	.	.			trans	-179.2	-173.4	-176.9	0	0	0	0	0	114.5	S140 N141 K163	S140-G165 WeakPolarHBondContact O-CA 3.48Å; N141-G165 VanDerWaalsContact OD1-CA 3.3Å; N141-G165 WeakPolarHBondContact OD1-CA 3.35Å; K163-G165 WeakPolarHBondContact CE-O 3.24Å; K163-G165 WeakPolarHBondContact CG-O 3.24Å; K163-G165 PolarHBondContact NZ-O 2.76Å; K163-G165 VanDerWaalsContact NZ-O 3.15Å
166	T	94.2	Very high	97	Very high	92 Å²	92	39.5 Å²	39.5	56%	0.564	22%	0.215	S	C	*	.	S	Bend	trans	-127.1	9.5	-177.7	67.9	0	0	0	0	113.2	N141	N141-T166 PolarHBondContact ND2-OG1 3.18Å; N141-T166 PolarHBondContact OD1-N 2.93Å; N141-T166 PolarHBondContact OD1-OG1 3.38Å
167	Q	94.5	Very high	97	Very high	101 Å²	101	37 Å²	37	47%	0.472	20%	0.204	S	C	.	.	S	Bend	trans	-157.3	161.4	179.7	65.8	-168.1	-17.5	0	0	110	Q169 I193	Q167-Q169 PolarHBondContact O-N 2.96Å; Q167-I193 WeakPolarHBondContact O-CB 3.31Å; Q167-I193 WeakPolarHBondContact O-CG2 3.38Å
168	V	96.5	Very high	97	Very high	71 Å²	71	36.5 Å²	36.5	43%	0.43	20%	0.202	S	C	.	.			trans	-62.4	131.5	177.8	-174	0	0	0	0	110.9	I193 A195 N196	V168-I193 WeakPolarHBondContact CA-O 3.15Å; V168-A195 HydrophobicContact CG2-CB 4.48Å; V168-N196 HydrophobicContact CG1-CB 4.13Å
169	Q	96.3	Very high	97.1	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.014	20%	0.198	C	C	.	.			trans	-159.1	-179.7	-175.4	58.3	-178.7	-8.9	0	0	109.5	V144 L164 Q167 E171 I193	V144-Q169 VanDerWaalsContact CA-OE1 3.27Å; V144-Q169 VanDerWaalsContact N-OE1 3.16Å; L164-Q169 PolarHBondContact O-NE2 3.09Å; L164-Q169 VanDerWaalsContact O-NE2 3.17Å; Q167-Q169 PolarHBondContact O-N 2.96Å; Q169-E171 VanDerWaalsContact C-N 3.32Å; Q169-E171 PolarHBondContact O-N 2.92Å; Q169-I193 HydrophobicContact CG-CB 4.38Å; Q169-I193 PolarHBondContact N-O 3.03Å; Q169-I193 VanDerWaalsContact O-O 3.05Å
170	L	97.1	Very high	97.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.212	C	C	.	.			trans	57.7	43	173.1	-64.4	172.9	0	0	0	112.8	F143 Q146 L149 L152 N172 L173 L194 S197	F143-L170 HydrophobicContact CB-CD1 4.08Å; F143-L170 HydrophobicContact CB-CD2 4.13Å; F143-L170 HydrophobicContact CB-CG 4.29Å; Q146-L170 HydrophobicContact CB-CD2 4.05Å; L149-L170 HydrophobicContact CB-CD2 4.04Å; L149-L170 HydrophobicContact CD2-CD2 3.75Å; L152-L170 HydrophobicContact CD2-CD1 4.18Å; L170-N172 VanDerWaalsContact C-N 3.28Å; L170-N172 PolarHBondContact O-N 3.33Å; L170-L173 HydrophobicContact CB-CB 4.08Å; L170-L173 HydrophobicContact CB-CD2 4.34Å; L170-L173 HydrophobicContact CD1-CD2 4.29Å; L170-L173 VanDerWaalsContact O-CB 3.22Å; L170-L173 WeakPolarHBondContact O-CB 3.35Å; L170-L173 PolarHBondContact O-N 3.31Å; L170-L173 VanDerWaalsContact O-N 3.1Å; L170-L194 HydrophobicContact CB-CD2 4.31Å; L170-S197 PolarHBondContact O-OG 3.3Å
171	E	96	Very high	97.2	Very high	58 Å²	58	35.8 Å²	35.8	27%	0.271	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.8	-170.8	-53.4	98	121	0	0	113.3	K147 Q169 N196	K147-E171 IonicContact NZ-OE1 3.69Å; K147-E171 PolarHBondContact NZ-OE1 3.26Å; K147-E171 IonicContact NZ-OE2 2.66Å; Q169-E171 VanDerWaalsContact C-N 3.32Å; Q169-E171 PolarHBondContact O-N 2.92Å; E171-N196 HydrophobicContact CG-CB 4.37Å
172	N	97.8	Very high	97.3	Very high	89 Å²	89	41 Å²	41	48%	0.476	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.7	178.5	-71.4	-61.3	0	0	0	114.4	K147 L149 L170 Q174	K147-N172 PolarHBondContact O-ND2 2.99Å; L149-N172 CarbonylContact O-C 3.52Å; L149-N172 VanDerWaalsContact O-C 3.26Å; L170-N172 VanDerWaalsContact C-N 3.28Å; L170-N172 PolarHBondContact O-N 3.33Å; N172-Q174 PolarHBondContact O-N 3.37Å; N172-Q174 PolarHBondContact O-NE2 3.26Å
173	L	98.6	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.			trans	-66.3	133.4	-175.3	-163.9	76.1	0	0	0	111.1	L149 I150 L152 L170 L176 L194 S198 L199	L149-L173 HydrophobicContact CB-CD1 4.35Å; L149-L173 HydrophobicContact CD2-CD1 4.16Å; L149-L173 HydrophobicContact CG-CD1 4.1Å; L149-L173 VanDerWaalsContact O-CA 3.25Å; L149-L173 WeakPolarHBondContact O-CA 3.24Å; L149-L173 PolarHBondContact O-N 3.21Å; I150-L173 WeakPolarHBondContact O-CD1 3.38Å; L152-L173 HydrophobicContact CB-CD1 3.96Å; L170-L173 HydrophobicContact CB-CB 4.08Å; L170-L173 HydrophobicContact CB-CD2 4.34Å; L170-L173 HydrophobicContact CD1-CD2 4.29Å; L170-L173 VanDerWaalsContact O-CB 3.22Å; L170-L173 WeakPolarHBondContact O-CB 3.35Å; L170-L173 PolarHBondContact O-N 3.31Å; L170-L173 VanDerWaalsContact O-N 3.1Å; L173-L176 HydrophobicContact CD2-CB 4.04Å; L173-L194 HydrophobicContact CD2-CD2 4.42Å; L173-S198 CarbonylContact O-C 3.49Å; L173-L199 HydrophobicContact CB-CD2 4.38Å; L173-L199 HydrophobicContact CD2-CD2 4.08Å; L173-L199 HydrophobicContact CG-CD2 4.16Å
174	Q	98.5	Very high	97.3	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.243	22%	0.215	C	C	.	.			trans	-120.2	-31.7	-178.8	-71.6	164.8	63.4	0	0	111.4	I150 N172 L199 K200 K201	I150-Q174 HydrophobicContact CG2-CB 4.05Å; I150-Q174 HydrophobicContact CG2-CG 4.41Å; I150-Q174 PolarHBondContact O-N 3.27Å; N172-Q174 PolarHBondContact O-N 3.37Å; N172-Q174 PolarHBondContact O-NE2 3.26Å; Q174-L199 CarbonylContact O-C 3.2Å; Q174-L199 WeakPolarHBondContact O-CA 3.45Å; Q174-K200 HydrophobicContact CB-CB 4.42Å; Q174-K200 HydrophobicContact CB-CD 4.17Å; Q174-K200 HydrophobicContact CB-CG 4.23Å; Q174-K200 HydrophobicContact CG-CD 4.41Å; Q174-K200 HydrophobicContact CG-CG 4.48Å; Q174-K200 WeakPolarHBondContact O-CA 3.48Å; Q174-K200 PolarHBondContact O-N 2.63Å; Q174-K201 PolarHBondContact O-N 2.93Å
175	E	98.8	Very high	97.4	Very high	69 Å²	69	43.5 Å²	43.5	32%	0.322	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.9	179.9	-54.1	-162.4	178.2	0	0	110.8	I150 T151 L152 L177 K201	I150-E175 PolarHBondContact O-N 3.18Å; T151-E175 WeakPolarHBondContact CA-O 3.13Å; T151-E175 HydrophobicContact CG2-CB 4.08Å; L152-E175 PolarHBondContact N-O 3.25Å; E175-L177 HydrophobicContact CB-CD1 4.05Å; E175-K201 WeakPolarHBondContact CA-O 3.48Å; E175-K201 HydrophobicContact CB-CB 4.44Å; E175-K201 HydrophobicContact CG-CB 4.12Å
176	L	98.8	Very high	97.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.2	175.2	175.9	54.4	0	0	0	109	L152 L164 L173 L178 L194 L199 K201 L202 E203	L152-L176 HydrophobicContact CB-CD1 4.33Å; L152-L176 HydrophobicContact CD2-CD1 4.19Å; L152-L176 HydrophobicContact CG-CD1 4.28Å; L164-L176 HydrophobicContact CD1-CD1 3.94Å; L164-L176 HydrophobicContact CD1-CD2 4.37Å; L173-L176 HydrophobicContact CD2-CB 4.04Å; L176-L178 HydrophobicContact CD1-CD1 4.2Å; L176-L178 HydrophobicContact CD1-CG 4.09Å; L176-L178 HydrophobicContact CD2-CD1 4.02Å; L176-L178 HydrophobicContact CG-CD1 3.95Å; L176-L178 HydrophobicContact CG-CG 4.18Å; L176-L194 HydrophobicContact CD2-CD1 3.79Å; L176-L199 HydrophobicContact CB-CD1 4.48Å; L176-L199 HydrophobicContact CB-CD2 4.34Å; L176-K201 PolarHBondContact N-O 3.47Å; L176-L202 HydrophobicContact CB-CD1 4.19Å; L176-L202 HydrophobicContact CD2-CD1 4.04Å; L176-L202 HydrophobicContact CG-CD1 4.08Å; L176-E203 PolarHBondContact O-N 2.8Å
177	L	98.8	Very high	97.7	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.8	-177.4	-54.7	86.6	0	0	0	110.5	T151 L152 D153 L154 E175 E203	T151-L177 HydrophobicContact CG2-CD1 3.85Å; L152-L177 PolarHBondContact O-N 2.76Å; D153-L177 HydrophobicContact CB-CB 4.13Å; D153-L177 HydrophobicContact CB-CD1 4.33Å; D153-L177 VanDerWaalsContact OD1-CB 3.23Å; D153-L177 WeakPolarHBondContact OD1-CB 3.29Å; L154-L177 CarbonylContact C-O 3.57Å; L154-L177 WeakPolarHBondContact CA-O 3.36Å; L154-L177 PolarHBondContact N-O 3.04Å; E175-L177 HydrophobicContact CB-CD1 4.05Å; L177-E203 HydrophobicContact CB-CB 4.26Å; L177-E203 HydrophobicContact CB-CG 4.36Å; L177-E203 HydrophobicContact CD2-CG 4.36Å; L177-E203 HydrophobicContact CG-CB 4.09Å; L177-E203 HydrophobicContact CG-CG 4.31Å
178	L	98.6	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.			trans	-132.6	20.9	-176	-71.7	168.3	0	0	0	110.6	L154 L159 T162 L176 N181 I183 E203 L204 N207	L154-L178 HydrophobicContact CB-CD2 3.85Å; L154-L178 HydrophobicContact CD1-CD2 4.29Å; L159-L178 HydrophobicContact CD1-CD2 3.79Å; T162-L178 HydrophobicContact CG2-CD1 4.22Å; L176-L178 HydrophobicContact CD1-CD1 4.2Å; L176-L178 HydrophobicContact CD1-CG 4.09Å; L176-L178 HydrophobicContact CD2-CD1 4.02Å; L176-L178 HydrophobicContact CG-CD1 3.95Å; L176-L178 HydrophobicContact CG-CG 4.18Å; L178-N181 PolarHBondContact O-ND2 2.96Å; L178-N181 VanDerWaalsContact O-ND2 3.11Å; L178-I183 HydrophobicContact CB-CD1 4.14Å; L178-E203 CarbonylContact C-O 3.16Å; L178-E203 WeakPolarHBondContact CA-O 3.28Å; L178-E203 PolarHBondContact N-O 2.81Å; L178-L204 HydrophobicContact CB-CD2 3.8Å; L178-L204 HydrophobicContact CD1-CD2 4.16Å; L178-N207 PolarHBondContact O-ND2 2.94Å
179	S	98.3	Very high	97.7	Very high	14 Å²	14	41.9 Å²	41.9	10%	0.098	21%	0.21	C	C	.	.			trans	-64.1	159.1	-177.6	75.4	0	0	0	0	112.2	S155 H156 N181 E203 S205	S155-S179 CarbonylContact C-O 3.55Å; S155-S179 WeakPolarHBondContact CA-O 3.44Å; S155-S179 WeakPolarHBondContact CB-O 3.41Å; S155-S179 WeakPolarHBondContact CB-OG 3.3Å; S155-S179 PolarHBondContact OG-N 2.91Å; S155-S179 PolarHBondContact OG-OG 2.79Å; H156-S179 PolarHBondContact N-O 2.96Å; S179-N181 PolarHBondContact O-N 3.39Å; S179-N181 VanDerWaalsContact O-N 3.17Å; S179-N181 PolarHBondContact O-ND2 3.15Å; S179-E203 PolarHBondContact N-O 2.73Å; S179-S205 CarbonylContact C-O 3.55Å; S179-S205 WeakPolarHBondContact CA-O 3.46Å; S179-S205 WeakPolarHBondContact CB-O 3.38Å
180	N	98.4	Very high	97.7	Very high	59 Å²	59	42.9 Å²	42.9	32%	0.316	22%	0.215	S	C	.	.	S	Bend	trans	54.3	39.4	173.4	-60.6	-89.5	0	0	0	113	H156 S205 S206	H156-N180 WeakPolarHBondContact CA-O 3.05Å; H156-N180 HydrophobicContact CB-CB 4.45Å; H156-N180 PolarHBondContact NE2-ND2 3.3Å; N180-S205 PolarHBondContact N-O 2.8Å; N180-S206 WeakPolarHBondContact OD1-CB 3.2Å; N180-S206 PolarHBondContact OD1-OG 3.15Å
181	N	98.5	Very high	97.7	Very high	9 Å²	9	43 Å²	43	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-108.9	-164.6	175.1	-87.2	-82.5	0	0	0	110.1	L154 N157 L159 L178 S179 I183 N207	L154-N181 PolarHBondContact O-ND2 2.03Å; N157-N181 WeakPolarHBondContact CA-OD1 3.19Å; N157-N181 VanDerWaalsContact CB-OD1 3.24Å; N157-N181 WeakPolarHBondContact CB-OD1 3.3Å; N157-N181 PolarHBondContact O-OD1 2.98Å; L159-N181 HydrophobicContact CB-CB 4.35Å; L159-N181 VanDerWaalsContact CB-OD1 3.25Å; L159-N181 WeakPolarHBondContact CB-OD1 3.48Å; L159-N181 WeakPolarHBondContact CG-OD1 3.29Å; L159-N181 PolarHBondContact N-OD1 2.91Å; L178-N181 PolarHBondContact O-ND2 2.96Å; L178-N181 VanDerWaalsContact O-ND2 3.11Å; S179-N181 PolarHBondContact O-N 3.39Å; S179-N181 VanDerWaalsContact O-N 3.17Å; S179-N181 PolarHBondContact O-ND2 3.15Å; N181-I183 HydrophobicContact CB-CD1 4.32Å; N181-I183 HydrophobicContact CB-CG1 4.33Å; N181-N207 WeakPolarHBondContact CA-OD1 3.45Å; N181-N207 WeakPolarHBondContact CB-OD1 3.16Å; N181-N207 PolarHBondContact N-OD1 2.76Å; N181-N207 PolarHBondContact O-OD1 3.1Å
182	K	97.8	Very high	97.7	Very high	138 Å²	138	43.3 Å²	43.3	60%	0.6	22%	0.219	S	C	*	.			trans	-117.4	27.1	-177.3	-61	-176.1	179.6	-179.9	0	112.5	L159 N207	L159-K182 CarbonylContact O-C 3.24Å; L159-K182 VanDerWaalsContact O-C 3.25Å; L159-K182 VanDerWaalsContact O-CA 3.3Å; L159-K182 WeakPolarHBondContact O-CA 3.25Å; L159-K182 PolarHBondContact O-N 2.98Å; K182-N207 PolarHBondContact N-OD1 2.97Å
183	I	98.3	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.			trans	-68	132.3	179.7	-57.4	162.2	0	0	0	108.6	L159 T162 L178 N181 A185 L186 L204 N207 Q208 I209	L159-I183 PolarHBondContact O-N 3.46Å; T162-I183 HydrophobicContact CG2-CD1 3.93Å; T162-I183 HydrophobicContact CG2-CG2 4.19Å; L178-I183 HydrophobicContact CB-CD1 4.14Å; N181-I183 HydrophobicContact CB-CD1 4.32Å; N181-I183 HydrophobicContact CB-CG1 4.33Å; I183-A185 WeakPolarHBondContact CG2-O 3.37Å; I183-L186 HydrophobicContact CG2-CD2 3.92Å; I183-L204 HydrophobicContact CD1-CD2 3.75Å; I183-N207 HydrophobicContact CB-CB 4.25Å; I183-N207 VanDerWaalsContact CB-OD1 3.31Å; I183-N207 WeakPolarHBondContact CB-OD1 3.46Å; I183-N207 WeakPolarHBondContact CG1-OD1 3.23Å; I183-N207 PolarHBondContact N-OD1 2.91Å; I183-Q208 CarbonylContact O-C 3.57Å; I183-Q208 VanDerWaalsContact O-C 3.32Å; I183-Q208 PolarHBondContact O-N 3.22Å; I183-I209 HydrophobicContact CG2-CG1 4.39Å; I183-I209 PolarHBondContact O-N 2.58Å
184	Q	96.8	Very high	97.6	Very high	96 Å²	96	39.2 Å²	39.2	45%	0.449	20%	0.197	S	C	.	.			trans	-121	-17.3	-175.7	-75	-179.7	79.4	0	0	114.5	Q208 I209 K210	Q184-Q208 WeakPolarHBondContact CA-O 3.41Å; Q184-Q208 HydrophobicContact CG-CB 4.32Å; Q184-I209 WeakPolarHBondContact O-CA 3.49Å; Q184-K210 PolarHBondContact O-N 3.23Å
185	A	97.4	Very high	97.5	Very high	26 Å²	26	38.8 Å²	38.8	22%	0.215	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.5	173.5	0	0	0	0	0	109.5	I183 E211	I183-A185 WeakPolarHBondContact CG2-O 3.37Å; A185-E211 VanDerWaalsContact CA-O 3.27Å; A185-E211 WeakPolarHBondContact CA-O 3.18Å; A185-E211 HydrophobicContact CB-CB 4.03Å
186	L	98.1	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136	168.1	-58.9	-173.1	0	0	0	109.8	T162 I183 L204 I209 E211 F212 S213 C216 F217	T162-L186 HydrophobicContact CG2-CD2 3.58Å; I183-L186 HydrophobicContact CG2-CD2 3.92Å; L186-L204 HydrophobicContact CD1-CD1 3.77Å; L186-L204 HydrophobicContact CD2-CD1 4.12Å; L186-I209 HydrophobicContact CD1-CD1 4.29Å; L186-I209 HydrophobicContact CD2-CD1 4.1Å; L186-I209 HydrophobicContact CG-CD1 4.12Å; L186-I209 HydrophobicContact CG-CG2 4.39Å; L186-E211 PolarHBondContact N-O 3.45Å; L186-F212 HydrophobicContact CB-CD1 4.19Å; L186-F212 HydrophobicContact CD1-CD1 3.8Å; L186-F212 HydrophobicContact CD1-CE1 3.69Å; L186-F212 HydrophobicContact CG-CD1 4.12Å; L186-F212 HydrophobicContact CG-CE1 4.19Å; L186-S213 WeakPolarHBondContact O-CB 3.18Å; L186-S213 PolarHBondContact O-N 2.9Å; L186-S213 PolarHBondContact O-OG 3Å; L186-C216 HydrophobicContact CB-CB 4.21Å; L186-F217 HydrophobicContact CD1-CE1 3.76Å; L186-F217 HydrophobicContact CD1-CZ 3.59Å
187	K	97.4	Very high	97.4	Very high	72 Å²	72	41.1 Å²	41.1	31%	0.313	22%	0.217	S	C	.	.			trans	-137.2	149.4	-177.9	-51.4	-178	173.2	-177.9	0	112.2	E189 E190 L191	K187-E189 VanDerWaalsContact C-N 3.35Å; K187-E189 HydrophobicContact CB-CG 3.85Å; K187-E189 HydrophobicContact CD-CG 3.73Å; K187-E189 WeakPolarHBondContact CD-OE1 3.49Å; K187-E189 WeakPolarHBondContact CE-OE1 3.38Å; K187-E189 IonicContact NZ-OE1 2.71Å; K187-E189 PolarHBondContact NZ-OE1 3.11Å; K187-E189 PolarHBondContact O-N 3.02Å; K187-E190 HydrophobicContact CB-CG 4.22Å; K187-E190 PolarHBondContact O-N 3.17Å; K187-L191 PolarHBondContact O-N 2.85Å
188	S	96.4	Very high	97.3	Very high	51 Å²	51	41.9 Å²	41.9	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-44.5	171.7	45.9	0	0	0	0	112.2	E190 L191 D192	S188-E190 PolarHBondContact O-N 2.88Å; S188-L191 PolarHBondContact O-N 3.29Å; S188-L191 VanDerWaalsContact O-N 3.16Å; S188-D192 WeakPolarHBondContact O-CB 3.22Å; S188-D192 PolarHBondContact O-N 3.41Å
189	E	95.2	Very high	97.3	Very high	110 Å²	110	41.9 Å²	41.9	51%	0.514	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-0.7	176.8	67.9	176.8	-165.9	0	0	115.6	K163 K187	K163-E189 WeakPolarHBondContact CE-O 3.11Å; K163-E189 PolarHBondContact NZ-O 2.91Å; K187-E189 VanDerWaalsContact C-N 3.35Å; K187-E189 HydrophobicContact CB-CG 3.85Å; K187-E189 HydrophobicContact CD-CG 3.73Å; K187-E189 WeakPolarHBondContact CD-OE1 3.49Å; K187-E189 WeakPolarHBondContact CE-OE1 3.38Å; K187-E189 IonicContact NZ-OE1 2.71Å; K187-E189 PolarHBondContact NZ-OE1 3.11Å; K187-E189 PolarHBondContact O-N 3.02Å
190	E	96.1	Very high	97.3	Very high	25 Å²	25	46.6 Å²	46.6	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-112.1	-30.5	173.8	-60.8	-164.9	158.6	0	0	113.2	S161 T162 K163 K187 S188	S161-E190 WeakPolarHBondContact CB-OE1 3.28Å; S161-E190 PolarHBondContact OG-OE1 2.78Å; S161-E190 PolarHBondContact OG-OE2 2.85Å; S161-E190 VanDerWaalsContact OG-OE2 3.12Å; T162-E190 PolarHBondContact N-OE2 2.93Å; T162-E190 WeakPolarHBondContact OG1-CB 3.37Å; T162-E190 PolarHBondContact OG1-OE2 3.49Å; K163-E190 HydrophobicContact CB-CB 3.93Å; K163-E190 HydrophobicContact CB-CG 3.99Å; K163-E190 HydrophobicContact CD-CG 4.48Å; K163-E190 HydrophobicContact CG-CB 4.5Å; K187-E190 HydrophobicContact CB-CG 4.22Å; K187-E190 PolarHBondContact O-N 3.17Å; S188-E190 PolarHBondContact O-N 2.88Å
191	L	97.2	Very high	97.3	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-99.6	-11.2	-175.3	-66.3	169.1	0	0	0	113.3	T162 K187 S188 I193 L194 C216 A219 I220	T162-L191 HydrophobicContact CG2-CD2 4.4Å; K187-L191 PolarHBondContact O-N 2.85Å; S188-L191 PolarHBondContact O-N 3.29Å; S188-L191 VanDerWaalsContact O-N 3.16Å; L191-I193 PolarHBondContact O-N 2.93Å; L191-L194 HydrophobicContact CD2-CD1 4.46Å; L191-L194 WeakPolarHBondContact O-CB 3.31Å; L191-L194 PolarHBondContact O-N 3.45Å; L191-C216 WeakPolarHBondContact CD1-O 3.12Å; L191-A219 HydrophobicContact CB-CB 4.18Å; L191-I220 HydrophobicContact CB-CG1 4.21Å; L191-I220 HydrophobicContact CD1-CD1 4.36Å
192	D	96.3	Very high	97.4	Very high	65 Å²	65	45.9 Å²	45.9	35%	0.348	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-48.2	-30.2	174.9	63	-18	0	0	0	114.6	K163 S188 L194 A195	K163-D192 IonicContact NZ-OD1 3.22Å; K163-D192 PolarHBondContact NZ-OD1 2.71Å; K163-D192 IonicContact NZ-OD2 4Å; S188-D192 WeakPolarHBondContact O-CB 3.22Å; S188-D192 PolarHBondContact O-N 3.41Å; D192-L194 PolarHBondContact O-N 3.07Å; D192-L194 VanDerWaalsContact O-N 3.09Å; D192-A195 WeakPolarHBondContact O-CB 3.36Å; D192-A195 PolarHBondContact O-N 3.06Å; D192-A195 VanDerWaalsContact O-N 3.16Å
193	I	96.8	Very high	97.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.9	-18.7	174.2	69.4	-176	0	0	0	113.7	L164 Q167 V168 Q169 L191	L164-I193 HydrophobicContact CB-CD1 3.65Å; L164-I193 HydrophobicContact CG-CD1 4.25Å; Q167-I193 WeakPolarHBondContact O-CB 3.31Å; Q167-I193 WeakPolarHBondContact O-CG2 3.38Å; V168-I193 WeakPolarHBondContact CA-O 3.15Å; Q169-I193 HydrophobicContact CG-CB 4.38Å; Q169-I193 PolarHBondContact N-O 3.03Å; Q169-I193 VanDerWaalsContact O-O 3.05Å; L191-I193 PolarHBondContact O-N 2.93Å
194	L	97.4	Very high	97.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-104	14.9	-178.6	-53.3	-179	0	0	0	113.3	L170 L173 L176 L191 D192 N196 S197 L199 I220 G221	L170-L194 HydrophobicContact CB-CD2 4.31Å; L173-L194 HydrophobicContact CD2-CD2 4.42Å; L176-L194 HydrophobicContact CD2-CD1 3.79Å; L191-L194 HydrophobicContact CD2-CD1 4.46Å; L191-L194 WeakPolarHBondContact O-CB 3.31Å; L191-L194 PolarHBondContact O-N 3.45Å; D192-L194 PolarHBondContact O-N 3.07Å; D192-L194 VanDerWaalsContact O-N 3.09Å; L194-N196 PolarHBondContact O-N 3.16Å; L194-S197 WeakPolarHBondContact O-CB 3.27Å; L194-S197 PolarHBondContact O-N 3.13Å; L194-L199 HydrophobicContact CD1-CD1 4.12Å; L194-I220 HydrophobicContact CB-CG1 4.4Å; L194-I220 HydrophobicContact CB-CG2 4.31Å; L194-G221 PolarHBondContact O-N 3.42Å
195	A	97.1	Very high	97.5	Very high	44 Å²	44	36.2 Å²	36.2	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.5	-178.1	0	0	0	0	0	114.7	V168 D192 A219 G221	V168-A195 HydrophobicContact CG2-CB 4.48Å; D192-A195 WeakPolarHBondContact O-CB 3.36Å; D192-A195 PolarHBondContact O-N 3.06Å; D192-A195 VanDerWaalsContact O-N 3.16Å; A195-A219 VanDerWaalsContact CA-O 3.3Å; A195-A219 WeakPolarHBondContact CA-O 3.23Å; A195-A219 PolarHBondContact N-O 2.85Å; A195-G221 WeakPolarHBondContact O-CA 3.42Å
196	N	96.6	Very high	97.5	Very high	118 Å²	118	36.9 Å²	36.9	63%	0.631	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-3.8	175.1	-70.3	-10	0	0	0	113.7	V168 E171 L194	V168-N196 HydrophobicContact CG1-CB 4.13Å; E171-N196 HydrophobicContact CG-CB 4.37Å; L194-N196 PolarHBondContact O-N 3.16Å
197	S	97.4	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.199	C	C	.	.			trans	-87.4	153.9	-174.4	-48.1	0	0	0	0	112.1	L170 L194 G221 R222	L170-S197 PolarHBondContact O-OG 3.3Å; L194-S197 WeakPolarHBondContact O-CB 3.27Å; L194-S197 PolarHBondContact O-N 3.13Å; S197-G221 CarbonylContact O-C 3.26Å; S197-R222 PolarHBondContact O-N 3.1Å
198	S	97.9	Very high	97.4	Very high	45 Å²	45	39.6 Å²	39.6	32%	0.315	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	75.2	-178.9	178.3	0	0	0	0	111.4	L173 K200 R222	L173-S198 CarbonylContact O-C 3.49Å; S198-K200 PolarHBondContact O-N 3Å; S198-R222 CarbonylContact C-O 3.29Å; S198-R222 WeakPolarHBondContact CA-O 3.48Å
199	L	98.6	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	117.7	-176.6	-60.2	-173.5	0	0	0	112.1	L173 Q174 L176 L194 L202 I220 R222 L223 L224	L173-L199 HydrophobicContact CB-CD2 4.38Å; L173-L199 HydrophobicContact CD2-CD2 4.08Å; L173-L199 HydrophobicContact CG-CD2 4.16Å; Q174-L199 CarbonylContact O-C 3.2Å; Q174-L199 WeakPolarHBondContact O-CA 3.45Å; L176-L199 HydrophobicContact CB-CD1 4.48Å; L176-L199 HydrophobicContact CB-CD2 4.34Å; L194-L199 HydrophobicContact CD1-CD1 4.12Å; L199-L202 HydrophobicContact CD1-CB 4.04Å; L199-L202 HydrophobicContact CD1-CD1 4.34Å; L199-I220 HydrophobicContact CD1-CD1 4.23Å; L199-I220 HydrophobicContact CD1-CG2 4.03Å; L199-I220 HydrophobicContact CG-CG2 4.07Å; L199-R222 PolarHBondContact N-O 2.92Å; L199-L223 HydrophobicContact CB-CD1 4.17Å; L199-L223 HydrophobicContact CD1-CD1 4.42Å; L199-L224 WeakPolarHBondContact O-CB 3.36Å; L199-L224 PolarHBondContact O-N 3.5Å
200	K	98.4	Very high	97.5	Very high	113 Å²	113	38.2 Å²	38.2	49%	0.491	20%	0.198	S	C	.	.	S	Bend	trans	-70.6	-39.2	161.8	-70.8	177.9	175.9	164.6	0	111.6	Q174 S198 L224 G225	Q174-K200 HydrophobicContact CB-CB 4.42Å; Q174-K200 HydrophobicContact CB-CD 4.17Å; Q174-K200 HydrophobicContact CB-CG 4.23Å; Q174-K200 HydrophobicContact CG-CD 4.41Å; Q174-K200 HydrophobicContact CG-CG 4.48Å; Q174-K200 WeakPolarHBondContact O-CA 3.48Å; Q174-K200 PolarHBondContact O-N 2.63Å; S198-K200 PolarHBondContact O-N 3Å; K200-L224 HydrophobicContact CG-CD1 4.29Å; K200-G225 WeakPolarHBondContact O-CA 3.42Å; K200-G225 PolarHBondContact O-N 3.18Å; K200-G225 VanDerWaalsContact O-N 3.15Å
201	K	98.7	Very high	97.5	Very high	52 Å²	52	42 Å²	42	23%	0.226	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.8	-177.2	176.9	161.9	179.1	167.6	0	111.3	Q174 E175 L176 E203 F227	Q174-K201 PolarHBondContact O-N 2.93Å; E175-K201 WeakPolarHBondContact CA-O 3.48Å; E175-K201 HydrophobicContact CB-CB 4.44Å; E175-K201 HydrophobicContact CG-CB 4.12Å; L176-K201 PolarHBondContact N-O 3.47Å; K201-E203 HydrophobicContact CD-CB 4.5Å; K201-E203 VanDerWaalsContact CE-CB 3.5Å; K201-E203 WeakPolarHBondContact CE-OE2 3.37Å; K201-E203 HydrophobicContact CG-CB 4.15Å; K201-E203 IonicContact NZ-OE2 3.04Å; K201-E203 PolarHBondContact NZ-OE2 2.84Å; K201-F227 HydrophobicContact CB-CE2 4.33Å; K201-F227 HydrophobicContact CD-CD2 4.16Å; K201-F227 HydrophobicContact CD-CE2 3.88Å; K201-F227 HydrophobicContact CD-CZ 4.45Å; K201-F227 HydrophobicContact CG-CD2 3.85Å; K201-F227 HydrophobicContact CG-CE2 3.73Å
202	L	98.8	Very high	97.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.1	161.2	178.9	56.1	0	0	0	108.2	L176 L199 L204 F217 I220 L223 G225 L226 F227	L176-L202 HydrophobicContact CB-CD1 4.19Å; L176-L202 HydrophobicContact CD2-CD1 4.04Å; L176-L202 HydrophobicContact CG-CD1 4.08Å; L199-L202 HydrophobicContact CD1-CB 4.04Å; L199-L202 HydrophobicContact CD1-CD1 4.34Å; L202-L204 HydrophobicContact CD1-CD1 4.2Å; L202-L204 HydrophobicContact CD1-CG 4.23Å; L202-L204 HydrophobicContact CD2-CD1 3.96Å; L202-L204 HydrophobicContact CG-CD1 3.85Å; L202-L204 HydrophobicContact CG-CG 4.2Å; L202-F217 HydrophobicContact CD2-CE1 4.38Å; L202-I220 HydrophobicContact CD2-CD1 3.85Å; L202-L223 HydrophobicContact CB-CD1 3.68Å; L202-L223 HydrophobicContact CD2-CD1 4.26Å; L202-G225 PolarHBondContact N-O 2.83Å; L202-L226 HydrophobicContact CB-CD1 4.26Å; L202-L226 HydrophobicContact CD2-CD1 4.09Å; L202-L226 HydrophobicContact CG-CD1 4.07Å; L202-L226 WeakPolarHBondContact O-CA 3.5Å; L202-F227 PolarHBondContact O-N 2.9Å
203	E	98.7	Very high	97.6	Very high	21 Å²	21	40.2 Å²	40.2	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105.7	-170.3	173	63.7	-88.5	0	0	110.3	L176 L177 L178 S179 K201 S205 F227	L176-E203 PolarHBondContact O-N 2.8Å; L177-E203 HydrophobicContact CB-CB 4.26Å; L177-E203 HydrophobicContact CB-CG 4.36Å; L177-E203 HydrophobicContact CD2-CG 4.36Å; L177-E203 HydrophobicContact CG-CB 4.09Å; L177-E203 HydrophobicContact CG-CG 4.31Å; L178-E203 CarbonylContact C-O 3.16Å; L178-E203 WeakPolarHBondContact CA-O 3.28Å; L178-E203 PolarHBondContact N-O 2.81Å; S179-E203 PolarHBondContact N-O 2.73Å; K201-E203 HydrophobicContact CD-CB 4.5Å; K201-E203 VanDerWaalsContact CE-CB 3.5Å; K201-E203 WeakPolarHBondContact CE-OE2 3.37Å; K201-E203 HydrophobicContact CG-CB 4.15Å; K201-E203 IonicContact NZ-OE2 3.04Å; K201-E203 PolarHBondContact NZ-OE2 2.84Å; E203-S205 WeakPolarHBondContact OE1-CB 3.48Å; E203-S205 PolarHBondContact OE1-N 2.97Å; E203-S205 PolarHBondContact OE1-OG 2.86Å; E203-F227 WeakPolarHBondContact OE1-CB 3.31Å
204	L	98.6	Very high	97.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.24	C	C	.	.			trans	-123	11	-172.3	-75.9	165.9	0	0	0	112.3	T162 L178 I183 L186 L202 N207 I209 L226 F227 L228	T162-L204 HydrophobicContact CG2-CD2 4.33Å; L178-L204 HydrophobicContact CB-CD2 3.8Å; L178-L204 HydrophobicContact CD1-CD2 4.16Å; I183-L204 HydrophobicContact CD1-CD2 3.75Å; L186-L204 HydrophobicContact CD1-CD1 3.77Å; L186-L204 HydrophobicContact CD2-CD1 4.12Å; L202-L204 HydrophobicContact CD1-CD1 4.2Å; L202-L204 HydrophobicContact CD1-CG 4.23Å; L202-L204 HydrophobicContact CD2-CD1 3.96Å; L202-L204 HydrophobicContact CG-CD1 3.85Å; L202-L204 HydrophobicContact CG-CG 4.2Å; L204-N207 WeakPolarHBondContact O-CB 3.46Å; L204-N207 PolarHBondContact O-N 2.91Å; L204-N207 PolarHBondContact O-ND2 2.85Å; L204-I209 HydrophobicContact CB-CD1 4.4Å; L204-L226 HydrophobicContact CD1-CD1 4.16Å; L204-F227 CarbonylContact C-O 3.5Å; L204-F227 WeakPolarHBondContact CA-O 3.48Å; L204-F227 PolarHBondContact N-O 3.26Å; L204-L228 HydrophobicContact CB-CD2 3.61Å; L204-L228 HydrophobicContact CD1-CD2 4.43Å
205	S	98.6	Very high	97.6	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.07	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	151.7	179.4	-55.5	0	0	0	0	113.3	S179 N180 E203 N207 F227 N229	S179-S205 CarbonylContact C-O 3.55Å; S179-S205 WeakPolarHBondContact CA-O 3.46Å; S179-S205 WeakPolarHBondContact CB-O 3.38Å; N180-S205 PolarHBondContact N-O 2.8Å; E203-S205 WeakPolarHBondContact OE1-CB 3.48Å; E203-S205 PolarHBondContact OE1-N 2.97Å; E203-S205 PolarHBondContact OE1-OG 2.86Å; S205-N207 PolarHBondContact O-N 3.1Å; S205-N207 PolarHBondContact O-ND2 2.86Å; S205-F227 PolarHBondContact N-O 3.32Å; S205-N229 CarbonylContact C-O 3.44Å; S205-N229 WeakPolarHBondContact CA-O 3.41Å; S205-N229 VanDerWaalsContact CB-O 3.23Å; S205-N229 WeakPolarHBondContact CB-O 3.39Å; S205-N229 WeakPolarHBondContact OG-CB 3.31Å; S205-N229 PolarHBondContact OG-N 2.67Å
206	S	98.3	Very high	97.6	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	29.1	-177.1	-58.6	0	0	0	0	115.2	N180 N229	N180-S206 WeakPolarHBondContact OD1-CB 3.2Å; N180-S206 PolarHBondContact OD1-OG 3.15Å; S206-N229 PolarHBondContact N-O 2.94Å
207	N	98.1	Very high	97.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.205	C	C	.	.			trans	-97.4	168.1	164.7	-78	-85.1	0	0	0	111.3	L178 N181 K182 I183 L204 S205 I209	L178-N207 PolarHBondContact O-ND2 2.94Å; N181-N207 WeakPolarHBondContact CA-OD1 3.45Å; N181-N207 WeakPolarHBondContact CB-OD1 3.16Å; N181-N207 PolarHBondContact N-OD1 2.76Å; N181-N207 PolarHBondContact O-OD1 3.1Å; K182-N207 PolarHBondContact N-OD1 2.97Å; I183-N207 HydrophobicContact CB-CB 4.25Å; I183-N207 VanDerWaalsContact CB-OD1 3.31Å; I183-N207 WeakPolarHBondContact CB-OD1 3.46Å; I183-N207 WeakPolarHBondContact CG1-OD1 3.23Å; I183-N207 PolarHBondContact N-OD1 2.91Å; L204-N207 WeakPolarHBondContact O-CB 3.46Å; L204-N207 PolarHBondContact O-N 2.91Å; L204-N207 PolarHBondContact O-ND2 2.85Å; S205-N207 PolarHBondContact O-N 3.1Å; S205-N207 PolarHBondContact O-ND2 2.86Å; N207-I209 HydrophobicContact CB-CD1 4.28Å; N207-I209 HydrophobicContact CB-CG1 3.91Å
208	Q	95.3	Very high	97.7	Very high	125 Å²	125	43.3 Å²	43.3	58%	0.584	23%	0.226	S	C	*	.			trans	-106.7	46.4	-177	-62.6	-172.1	4.3	0	0	111.8	I183 Q184 K210	I183-Q208 CarbonylContact O-C 3.57Å; I183-Q208 VanDerWaalsContact O-C 3.32Å; I183-Q208 PolarHBondContact O-N 3.22Å; Q184-Q208 WeakPolarHBondContact CA-O 3.41Å; Q184-Q208 HydrophobicContact CG-CB 4.32Å; Q208-K210 PolarHBondContact O-N 3.27Å
209	I	97.6	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.217	C	C	.	.			trans	-68.7	125.2	-174.4	-51.1	179.7	0	0	0	110.2	I183 Q184 L186 L204 N207 F212 L228 V231	I183-I209 HydrophobicContact CG2-CG1 4.39Å; I183-I209 PolarHBondContact O-N 2.58Å; Q184-I209 WeakPolarHBondContact O-CA 3.49Å; L186-I209 HydrophobicContact CD1-CD1 4.29Å; L186-I209 HydrophobicContact CD2-CD1 4.1Å; L186-I209 HydrophobicContact CG-CD1 4.12Å; L186-I209 HydrophobicContact CG-CG2 4.39Å; L204-I209 HydrophobicContact CB-CD1 4.4Å; N207-I209 HydrophobicContact CB-CD1 4.28Å; N207-I209 HydrophobicContact CB-CG1 3.91Å; I209-F212 HydrophobicContact CG2-CD1 4.37Å; I209-F212 HydrophobicContact CG2-CE1 3.84Å; I209-F212 HydrophobicContact CG2-CE2 4.47Å; I209-F212 HydrophobicContact CG2-CZ 3.89Å; I209-L228 HydrophobicContact CD1-CD2 3.75Å; I209-V231 HydrophobicContact CB-CG1 4.01Å; I209-V231 HydrophobicContact CG1-CG1 4.39Å
210	K	95.7	Very high	97.6	Very high	131 Å²	131	42.3 Å²	42.3	57%	0.57	22%	0.219	S	C	*	.			trans	-120.5	-13.2	-178.3	-66.8	163.7	-168.8	165.8	0	113	Q184 Q208	Q184-K210 PolarHBondContact O-N 3.23Å; Q208-K210 PolarHBondContact O-N 3.27Å
211	E	95.9	Very high	97.5	Very high	104 Å²	104	38.8 Å²	38.8	49%	0.486	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.5	-178.7	-167.4	-169.9	137.6	0	0	110.8	A185 L186 S213	A185-E211 VanDerWaalsContact CA-O 3.27Å; A185-E211 WeakPolarHBondContact CA-O 3.18Å; A185-E211 HydrophobicContact CB-CB 4.03Å; L186-E211 PolarHBondContact N-O 3.45Å; E211-S213 PolarHBondContact OE1-OG 3.22Å
212	F	97.9	Very high	97.5	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.066	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.6	161.2	-58	-78.3	0	0	0	106	L186 I209 F217 L228 L233 L237 L241 E244	L186-F212 HydrophobicContact CB-CD1 4.19Å; L186-F212 HydrophobicContact CD1-CD1 3.8Å; L186-F212 HydrophobicContact CD1-CE1 3.69Å; L186-F212 HydrophobicContact CG-CD1 4.12Å; L186-F212 HydrophobicContact CG-CE1 4.19Å; I209-F212 HydrophobicContact CG2-CD1 4.37Å; I209-F212 HydrophobicContact CG2-CE1 3.84Å; I209-F212 HydrophobicContact CG2-CE2 4.47Å; I209-F212 HydrophobicContact CG2-CZ 3.89Å; F212-F217 AromaticContact CD1-CE2 3.95Å; F212-F217 HydrophobicContact CD1-CE2 3.95Å; F212-F217 AromaticContact CD1-CZ 3.98Å; F212-F217 HydrophobicContact CD1-CZ 3.98Å; F212-F217 HydrophobicContact CE1-CE2 4.38Å; F212-F217 HydrophobicContact CE1-CZ 4.06Å; F212-L228 HydrophobicContact CE1-CD1 4.34Å; F212-L228 HydrophobicContact CZ-CD1 4.1Å; F212-L233 HydrophobicContact CE2-CD2 3.95Å; F212-L233 HydrophobicContact CZ-CD2 4Å; F212-L237 HydrophobicContact CD2-CD1 3.88Å; F212-L237 HydrophobicContact CD2-CG 4.29Å; F212-L237 HydrophobicContact CE2-CD1 4.08Å; F212-L237 HydrophobicContact CE2-CD2 4.48Å; F212-L237 HydrophobicContact CE2-CG 3.97Å; F212-L241 HydrophobicContact CD1-CD1 4.27Å; F212-L241 HydrophobicContact CD2-CB 3.99Å; F212-L241 HydrophobicContact CE1-CD1 3.93Å; F212-L241 HydrophobicContact CE2-CB 3.73Å; F212-L241 HydrophobicContact CE2-CD1 4.21Å; F212-L241 HydrophobicContact CE2-CD2 4.48Å; F212-L241 HydrophobicContact CE2-CG 4.35Å; F212-L241 HydrophobicContact CZ-CB 4.24Å; F212-L241 HydrophobicContact CZ-CD1 3.9Å; F212-L241 HydrophobicContact CZ-CD2 4.29Å; F212-L241 HydrophobicContact CZ-CG 4.37Å; F212-E244 HydrophobicContact CB-CG 4.03Å
213	S	97.4	Very high	97.5	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	23%	0.228	C	C	.	.			trans	-81.2	145.6	-179.1	-48.7	0	0	0	0	110.1	L186 E211 G215 C216	L186-S213 WeakPolarHBondContact O-CB 3.18Å; L186-S213 PolarHBondContact O-N 2.9Å; L186-S213 PolarHBondContact O-OG 3Å; E211-S213 PolarHBondContact OE1-OG 3.22Å; S213-G215 PolarHBondContact O-N 3.24Å; S213-C216 WeakPolarHBondContact O-CB 3.33Å; S213-C216 PolarHBondContact O-N 3.39Å; S213-C216 VanDerWaalsContact O-N 3.15Å; S213-C216 PolarHBondContact O-SG 3.29Å
214	P	97.5	Very high	97.5	Very high	106 Å²	106	43.7 Å²	43.7	69%	0.688	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	130.3	-171.3	-31.4	37.1	0	0	0	115.9	C216 E244	P214-C216 VanDerWaalsContact C-N 3.35Å; P214-E244 WeakPolarHBondContact CA-OE1 3.34Å; P214-E244 WeakPolarHBondContact CA-OE2 3.49Å
215	G	96.3	Very high	97.5	Very high	25 Å²	25	43.7 Å²	43.7	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	12.2	179.5	0	0	0	0	0	114.5	S213 F217 H218 A219 E244	S213-G215 PolarHBondContact O-N 3.24Å; G215-F217 VanDerWaalsContact C-N 3.35Å; G215-F217 PolarHBondContact O-N 3.49Å; G215-H218 PolarHBondContact O-N 3.18Å; G215-A219 PolarHBondContact O-N 3.11Å; G215-E244 PolarHBondContact N-OE2 3.32Å
216	C	97.8	Very high	97.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-37.4	-174.1	58	0	0	0	0	113.9	L186 L191 S213 P214	L186-C216 HydrophobicContact CB-CB 4.21Å; L191-C216 WeakPolarHBondContact CD1-O 3.12Å; S213-C216 WeakPolarHBondContact O-CB 3.33Å; S213-C216 PolarHBondContact O-N 3.39Å; S213-C216 VanDerWaalsContact O-N 3.15Å; S213-C216 PolarHBondContact O-SG 3.29Å; P214-C216 VanDerWaalsContact C-N 3.35Å
217	F	98.1	Very high	97.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-27.5	177.1	-62.9	-65.7	0	0	0	113.5	L186 L202 F212 G215 A219 I220 L223 L226 L241 E244 L245 T248	L186-F217 HydrophobicContact CD1-CE1 3.76Å; L186-F217 HydrophobicContact CD1-CZ 3.59Å; L202-F217 HydrophobicContact CD2-CE1 4.38Å; F212-F217 AromaticContact CD1-CE2 3.95Å; F212-F217 HydrophobicContact CD1-CE2 3.95Å; F212-F217 AromaticContact CD1-CZ 3.98Å; F212-F217 HydrophobicContact CD1-CZ 3.98Å; F212-F217 HydrophobicContact CE1-CE2 4.38Å; F212-F217 HydrophobicContact CE1-CZ 4.06Å; G215-F217 VanDerWaalsContact C-N 3.35Å; G215-F217 PolarHBondContact O-N 3.49Å; F217-A219 PolarHBondContact O-N 2.84Å; F217-I220 WeakPolarHBondContact O-CB 3.14Å; F217-I220 PolarHBondContact O-N 3.15Å; F217-I220 VanDerWaalsContact O-N 3.09Å; F217-L223 HydrophobicContact CB-CD2 4.35Å; F217-L223 HydrophobicContact CD1-CD2 3.69Å; F217-L223 HydrophobicContact CE1-CD2 4.35Å; F217-L223 HydrophobicContact CG-CD2 4.25Å; F217-L226 HydrophobicContact CE1-CD1 4.21Å; F217-L226 HydrophobicContact CE1-CD2 3.8Å; F217-L226 HydrophobicContact CE2-CD2 4.41Å; F217-L226 HydrophobicContact CZ-CD2 3.68Å; F217-L241 HydrophobicContact CE2-CD1 3.58Å; F217-L241 HydrophobicContact CZ-CD1 3.87Å; F217-E244 HydrophobicContact CD2-CB 3.95Å; F217-E244 HydrophobicContact CE2-CB 4.27Å; F217-L245 HydrophobicContact CD2-CD2 3.91Å; F217-L245 HydrophobicContact CD2-CG 4.29Å; F217-L245 HydrophobicContact CE2-CD2 4.25Å; F217-L245 HydrophobicContact CE2-CG 4.44Å; F217-L245 HydrophobicContact CG-CD2 4.09Å; F217-T248 HydrophobicContact CB-CG2 4.22Å
218	H	96.9	Very high	97.5	Very high	98 Å²	98	42.8 Å²	42.8	45%	0.454	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.4	174.8	-49.6	88.6	0	0	0	113.4	G215 I220 E244 A246	G215-H218 PolarHBondContact O-N 3.18Å; H218-I220 PolarHBondContact O-N 2.78Å; H218-E244 PolarHBondContact CE1-O 3.4Å; H218-A246 PolarHBondContact NE2-O 3.05Å
219	A	97.1	Very high	97.7	Very high	15 Å²	15	38.2 Å²	38.2	12%	0.124	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14	169.3	0	0	0	0	0	113.5	L191 A195 G215 F217	L191-A219 HydrophobicContact CB-CB 4.18Å; A195-A219 VanDerWaalsContact CA-O 3.3Å; A195-A219 WeakPolarHBondContact CA-O 3.23Å; A195-A219 PolarHBondContact N-O 2.85Å; G215-A219 PolarHBondContact O-N 3.11Å; F217-A219 PolarHBondContact O-N 2.84Å
220	I	97.9	Very high	97.7	Very high	8 Å²	8	42 Å²	42	4%	0.041	22%	0.223	C	C	.	.	S	Bend	trans	-96.4	128.9	175.3	-54.6	169.3	0	0	0	108.5	L191 L194 L199 L202 F217 H218 R222	L191-I220 HydrophobicContact CB-CG1 4.21Å; L191-I220 HydrophobicContact CD1-CD1 4.36Å; L194-I220 HydrophobicContact CB-CG1 4.4Å; L194-I220 HydrophobicContact CB-CG2 4.31Å; L199-I220 HydrophobicContact CD1-CD1 4.23Å; L199-I220 HydrophobicContact CD1-CG2 4.03Å; L199-I220 HydrophobicContact CG-CG2 4.07Å; L202-I220 HydrophobicContact CD2-CD1 3.85Å; F217-I220 WeakPolarHBondContact O-CB 3.14Å; F217-I220 PolarHBondContact O-N 3.15Å; F217-I220 VanDerWaalsContact O-N 3.09Å; H218-I220 PolarHBondContact O-N 2.78Å; I220-R222 PolarHBondContact O-N 2.69Å
221	G	96.5	Very high	97.8	Very high	39 Å²	39	35.7 Å²	35.7	40%	0.402	20%	0.196	S	C	.	.	S	Bend	trans	-55.7	-47.5	-173.7	0	0	0	0	0	113.8	L194 A195 S197	L194-G221 PolarHBondContact O-N 3.42Å; A195-G221 WeakPolarHBondContact O-CA 3.42Å; S197-G221 CarbonylContact O-C 3.26Å
222	R	98.1	Very high	97.8	Very high	134 Å²	134	37.1 Å²	37.1	51%	0.506	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.2	164.2	-50.4	-177.9	75.4	177.8	5.2	110.2	S197 S198 L199 I220	S197-R222 PolarHBondContact O-N 3.1Å; S198-R222 CarbonylContact C-O 3.29Å; S198-R222 WeakPolarHBondContact CA-O 3.48Å; L199-R222 PolarHBondContact N-O 2.92Å; I220-R222 PolarHBondContact O-N 2.69Å
223	L	98.4	Very high	97.7	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.1	170.5	177.9	63.8	0	0	0	108.7	L199 L202 F217 G225 L245 S249 I250	L199-L223 HydrophobicContact CB-CD1 4.17Å; L199-L223 HydrophobicContact CD1-CD1 4.42Å; L202-L223 HydrophobicContact CB-CD1 3.68Å; L202-L223 HydrophobicContact CD2-CD1 4.26Å; F217-L223 HydrophobicContact CB-CD2 4.35Å; F217-L223 HydrophobicContact CD1-CD2 3.69Å; F217-L223 HydrophobicContact CE1-CD2 4.35Å; F217-L223 HydrophobicContact CG-CD2 4.25Å; L223-G225 WeakPolarHBondContact CD1-O 3.4Å; L223-L245 HydrophobicContact CD2-CD2 4.28Å; L223-S249 CarbonylContact O-C 3.55Å; L223-S249 WeakPolarHBondContact O-CA 3.26Å; L223-S249 WeakPolarHBondContact O-CB 3.1Å; L223-I250 HydrophobicContact CD2-CD1 4.33Å; L223-I250 HydrophobicContact CG-CD1 4.08Å; L223-I250 WeakPolarHBondContact O-CA 3.13Å; L223-I250 PolarHBondContact O-N 3.23Å; L223-I250 VanDerWaalsContact O-N 3.1Å
224	L	98.5	Very high	97.6	Very high	41 Å²	41	36.8 Å²	36.8	22%	0.215	20%	0.203	C	C	.	.			trans	-109.1	-28.7	-179.5	-55.9	175.8	0	0	0	113	L199 K200 S249 R251 N252	L199-L224 WeakPolarHBondContact O-CB 3.36Å; L199-L224 PolarHBondContact O-N 3.5Å; K200-L224 HydrophobicContact CG-CD1 4.29Å; L224-S249 WeakPolarHBondContact CD2-O 3.35Å; L224-R251 WeakPolarHBondContact O-CA 3.4Å; L224-R251 WeakPolarHBondContact O-CB 3.4Å; L224-R251 PolarHBondContact O-N 2.99Å; L224-N252 PolarHBondContact O-N 3.41Å
225	G	98.7	Very high	97.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.6	-178.3	0	0	0	0	0	112.5	K200 L202 L223 N252	K200-G225 WeakPolarHBondContact O-CA 3.42Å; K200-G225 PolarHBondContact O-N 3.18Å; K200-G225 VanDerWaalsContact O-N 3.15Å; L202-G225 PolarHBondContact N-O 2.83Å; L223-G225 WeakPolarHBondContact CD1-O 3.4Å; G225-N252 VanDerWaalsContact CA-O 3.31Å; G225-N252 WeakPolarHBondContact CA-O 3.43Å
226	L	98.8	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.1	179.6	177.3	61.3	0	0	0	110.4	L202 L204 F217 L228 L241 L245 I250 N252 L253 S254	L202-L226 HydrophobicContact CB-CD1 4.26Å; L202-L226 HydrophobicContact CD2-CD1 4.09Å; L202-L226 HydrophobicContact CG-CD1 4.07Å; L202-L226 WeakPolarHBondContact O-CA 3.5Å; L204-L226 HydrophobicContact CD1-CD1 4.16Å; F217-L226 HydrophobicContact CE1-CD1 4.21Å; F217-L226 HydrophobicContact CE1-CD2 3.8Å; F217-L226 HydrophobicContact CE2-CD2 4.41Å; F217-L226 HydrophobicContact CZ-CD2 3.68Å; L226-L228 HydrophobicContact CD1-CD1 4.38Å; L226-L228 HydrophobicContact CD1-CG 4.19Å; L226-L228 HydrophobicContact CD2-CD1 3.91Å; L226-L228 HydrophobicContact CG-CD1 4.09Å; L226-L228 HydrophobicContact CG-CG 4.19Å; L226-L241 HydrophobicContact CD2-CD1 4.07Å; L226-L245 HydrophobicContact CD2-CD1 4.26Å; L226-L245 HydrophobicContact CD2-CD2 4.01Å; L226-I250 HydrophobicContact CB-CD1 3.83Å; L226-N252 PolarHBondContact N-O 3.28Å; L226-L253 HydrophobicContact CB-CD1 4.11Å; L226-L253 HydrophobicContact CD2-CD1 4.1Å; L226-L253 HydrophobicContact CG-CD1 4.2Å; L226-L253 WeakPolarHBondContact O-CA 3.41Å; L226-S254 PolarHBondContact O-N 3.48Å
227	F	98.9	Very high	97.5	Very high	34 Å²	34	37.9 Å²	37.9	15%	0.149	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.2	-178.5	-59.9	-100.6	0	0	0	109.3	K201 L202 E203 L204 S205 S254	K201-F227 HydrophobicContact CB-CE2 4.33Å; K201-F227 HydrophobicContact CD-CD2 4.16Å; K201-F227 HydrophobicContact CD-CE2 3.88Å; K201-F227 HydrophobicContact CD-CZ 4.45Å; K201-F227 HydrophobicContact CG-CD2 3.85Å; K201-F227 HydrophobicContact CG-CE2 3.73Å; L202-F227 PolarHBondContact O-N 2.9Å; E203-F227 WeakPolarHBondContact OE1-CB 3.31Å; L204-F227 CarbonylContact C-O 3.5Å; L204-F227 WeakPolarHBondContact CA-O 3.48Å; L204-F227 PolarHBondContact N-O 3.26Å; S205-F227 PolarHBondContact N-O 3.32Å; F227-S254 VanDerWaalsContact CD1-CB 3.46Å
228	L	98.5	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.			trans	-132	40.4	-177.1	-72.2	168.2	0	0	0	110.1	L204 I209 F212 L226 V231 L241 S254 L255	L204-L228 HydrophobicContact CB-CD2 3.61Å; L204-L228 HydrophobicContact CD1-CD2 4.43Å; I209-L228 HydrophobicContact CD1-CD2 3.75Å; F212-L228 HydrophobicContact CE1-CD1 4.34Å; F212-L228 HydrophobicContact CZ-CD1 4.1Å; L226-L228 HydrophobicContact CD1-CD1 4.38Å; L226-L228 HydrophobicContact CD1-CG 4.19Å; L226-L228 HydrophobicContact CD2-CD1 3.91Å; L226-L228 HydrophobicContact CG-CD1 4.09Å; L226-L228 HydrophobicContact CG-CG 4.19Å; L228-V231 HydrophobicContact CB-CB 4.41Å; L228-V231 HydrophobicContact CB-CG2 4.17Å; L228-V231 HydrophobicContact CD2-CG2 4.12Å; L228-V231 WeakPolarHBondContact O-CB 3.46Å; L228-V231 WeakPolarHBondContact O-CG2 3.33Å; L228-V231 PolarHBondContact O-N 3.36Å; L228-L241 HydrophobicContact CD1-CD1 4.06Å; L228-L241 HydrophobicContact CD1-CD2 3.56Å; L228-L241 HydrophobicContact CD1-CG 4.48Å; L228-S254 PolarHBondContact N-O 3.09Å; L228-L255 HydrophobicContact CB-CD2 4.03Å; L228-L255 HydrophobicContact CD1-CD2 4.32Å
229	N	98.4	Very high	97.6	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.16	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	146.4	-177.4	-60.9	-24.5	0	0	0	110.3	S205 S206 V231 S254 L255 S256	S205-N229 CarbonylContact C-O 3.44Å; S205-N229 WeakPolarHBondContact CA-O 3.41Å; S205-N229 VanDerWaalsContact CB-O 3.23Å; S205-N229 WeakPolarHBondContact CB-O 3.39Å; S205-N229 WeakPolarHBondContact OG-CB 3.31Å; S205-N229 PolarHBondContact OG-N 2.67Å; S206-N229 PolarHBondContact N-O 2.94Å; N229-V231 PolarHBondContact O-N 3.38Å; N229-S254 PolarHBondContact ND2-OG 2.89Å; N229-S254 PolarHBondContact OD1-O 3.03Å; N229-S254 PolarHBondContact OD1-OG 2.83Å; N229-L255 PolarHBondContact OD1-N 2.75Å; N229-S256 CarbonylContact C-O 3.24Å; N229-S256 WeakPolarHBondContact CA-O 3.32Å; N229-S256 WeakPolarHBondContact OD1-CB 3.43Å; N229-S256 PolarHBondContact OD1-N 3.03Å
230	N	98.1	Very high	97.6	Very high	79 Å²	79	41.8 Å²	41.8	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	12.6	-176.2	-45	101.1	0	0	0	114.8	S256 N257	N230-S256 PolarHBondContact N-O 2.94Å; N230-N257 VanDerWaalsContact CA-O 3.3Å; N230-N257 WeakPolarHBondContact CA-O 3.36Å; N230-N257 PolarHBondContact ND2-ND2 3Å; N230-N257 VanDerWaalsContact ND2-ND2 3.13Å
231	V	97.9	Very high	97.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.			trans	-90.5	123.2	175.6	-177.9	0	0	0	0	109.2	I209 L228 N229 L233 S258	I209-V231 HydrophobicContact CB-CG1 4.01Å; I209-V231 HydrophobicContact CG1-CG1 4.39Å; L228-V231 HydrophobicContact CB-CB 4.41Å; L228-V231 HydrophobicContact CB-CG2 4.17Å; L228-V231 HydrophobicContact CD2-CG2 4.12Å; L228-V231 WeakPolarHBondContact O-CB 3.46Å; L228-V231 WeakPolarHBondContact O-CG2 3.33Å; L228-V231 PolarHBondContact O-N 3.36Å; N229-V231 PolarHBondContact O-N 3.38Å; V231-L233 HydrophobicContact CB-CG 4.44Å; V231-L233 HydrophobicContact CG1-CD2 3.75Å; V231-L233 HydrophobicContact CG1-CG 4.11Å; V231-L233 PolarHBondContact O-N 3.16Å; V231-S258 CarbonylContact O-C 3.58Å; V231-S258 WeakPolarHBondContact O-CA 3.44Å; V231-S258 VanDerWaalsContact O-CB 3.24Å; V231-S258 WeakPolarHBondContact O-CB 3.41Å
232	Q	95.3	Very high	97.7	Very high	133 Å²	133	39.5 Å²	39.5	62%	0.621	20%	0.199	S	C	*	.			trans	-74.8	84.4	-175	-62.6	-176.5	-23.2	0	0	111.9	Q259	Q232-Q259 HydrophobicContact CG-CG 4.46Å
233	L	96	Very high	97.7	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.073	20%	0.196	C	C	.	.			trans	-93.2	-57.4	-178.2	-59.7	178.7	0	0	0	112.1	F212 V231 L237 L241 L255 S258	F212-L233 HydrophobicContact CE2-CD2 3.95Å; F212-L233 HydrophobicContact CZ-CD2 4Å; V231-L233 HydrophobicContact CB-CG 4.44Å; V231-L233 HydrophobicContact CG1-CD2 3.75Å; V231-L233 HydrophobicContact CG1-CG 4.11Å; V231-L233 PolarHBondContact O-N 3.16Å; L233-L237 HydrophobicContact CB-CB 4.44Å; L233-L237 HydrophobicContact CD2-CD2 3.78Å; L233-L237 HydrophobicContact CD2-CG 4.02Å; L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L241 HydrophobicContact CD1-CD2 3.9Å; L233-L255 HydrophobicContact CD1-CD2 4.11Å; L233-S258 PolarHBondContact N-O 2.95Å
234	G	95.6	Very high	97.7	Very high	11 Å²	11	38.6 Å²	38.6	11%	0.113	20%	0.203	C	C	.	.	H	α-helix	trans	61.9	177.4	-166	0	0	0	0	0	114	S236 T238 S258	G234-S236 PolarHBondContact O-N 3.39Å; G234-T238 WeakPolarHBondContact O-CB 3.29Å; G234-T238 PolarHBondContact O-N 3.27Å; G234-T238 VanDerWaalsContact O-N 3.09Å; G234-T238 PolarHBondContact O-OG1 3Å; G234-S258 PolarHBondContact N-O 2.68Å
235	P	96.1	Very high	97.7	Very high	38 Å²	38	36.7 Å²	36.7	25%	0.247	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-43.5	-166.5	-23.8	32.8	0	0	0	114.8	T238 E239 L260 T262	P235-T238 PolarHBondContact O-N 3.02Å; P235-E239 PolarHBondContact O-N 3.15Å; P235-L260 HydrophobicContact CB-CD1 4.15Å; P235-L260 HydrophobicContact CG-CD1 4.07Å; P235-T262 WeakPolarHBondContact CG-O 3.29Å
236	S	96.1	Very high	97.7	Very high	94 Å²	94	37.1 Å²	37.1	66%	0.657	20%	0.196	S	C	*	.	H	α-helix	trans	-77.9	-22.5	-172.1	56.8	0	0	0	0	114.7	G234	G234-S236 PolarHBondContact O-N 3.39Å
237	L	97.5	Very high	97.6	Very high	22 Å²	22	43 Å²	43	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-87.8	-30.7	170.6	-170.5	56.7	0	0	0	111.2	F212 L233 E239 K240 L241	F212-L237 HydrophobicContact CD2-CD1 3.88Å; F212-L237 HydrophobicContact CD2-CG 4.29Å; F212-L237 HydrophobicContact CE2-CD1 4.08Å; F212-L237 HydrophobicContact CE2-CD2 4.48Å; F212-L237 HydrophobicContact CE2-CG 3.97Å; L233-L237 HydrophobicContact CB-CB 4.44Å; L233-L237 HydrophobicContact CD2-CD2 3.78Å; L233-L237 HydrophobicContact CD2-CG 4.02Å; L233-L237 WeakPolarHBondContact O-CB 3.37Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-K240 HydrophobicContact CD1-CB 4.43Å; L237-K240 HydrophobicContact CD1-CD 4.24Å; L237-K240 PolarHBondContact O-N 3Å; L237-L241 PolarHBondContact O-N 2.9Å
238	T	98.3	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-39	168.9	-62.8	0	0	0	0	112	G234 P235 K240 L241 C242 L255 L260 T267 F268	G234-T238 WeakPolarHBondContact O-CB 3.29Å; G234-T238 PolarHBondContact O-N 3.27Å; G234-T238 VanDerWaalsContact O-N 3.09Å; G234-T238 PolarHBondContact O-OG1 3Å; P235-T238 PolarHBondContact O-N 3.02Å; T238-K240 PolarHBondContact O-N 3.46Å; T238-L241 WeakPolarHBondContact O-CB 3.5Å; T238-L241 PolarHBondContact O-N 2.78Å; T238-C242 PolarHBondContact O-N 3.31Å; T238-C242 PolarHBondContact O-SG 2.89Å; T238-L255 HydrophobicContact CG2-CD1 3.95Å; T238-L260 HydrophobicContact CG2-CD1 4.42Å; T238-T267 HydrophobicContact CG2-CG2 4Å; T238-F268 HydrophobicContact CG2-CE1 4.01Å; T238-F268 HydrophobicContact CG2-CZ 4.49Å
239	E	98.3	Very high	97.6	Very high	66 Å²	66	44.4 Å²	44.4	31%	0.308	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-43.3	174.1	-171.5	171.7	123.3	0	0	112.1	P235 L237 C242 L243 T266 T267	P235-E239 PolarHBondContact O-N 3.15Å; L237-E239 VanDerWaalsContact C-N 3.34Å; E239-C242 PolarHBondContact O-N 3.43Å; E239-L243 WeakPolarHBondContact O-CG 3.21Å; E239-L243 PolarHBondContact O-N 2.93Å; E239-L243 VanDerWaalsContact O-N 3.12Å; E239-T266 WeakPolarHBondContact OE2-CB 2.96Å; E239-T266 PolarHBondContact OE2-OG1 3.43Å; E239-T267 WeakPolarHBondContact CA-O 3.28Å
240	K	98.1	Very high	97.6	Very high	131 Å²	131	43 Å²	43	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-64.6	-44	174.7	-68	178.9	179.6	-176.3	0	112.4	L237 T238 C242 L243 E244	L237-K240 HydrophobicContact CD1-CB 4.43Å; L237-K240 HydrophobicContact CD1-CD 4.24Å; L237-K240 PolarHBondContact O-N 3Å; T238-K240 PolarHBondContact O-N 3.46Å; K240-C242 VanDerWaalsContact C-N 3.28Å; K240-C242 PolarHBondContact O-N 2.89Å; K240-L243 PolarHBondContact O-N 3.36Å; K240-E244 PolarHBondContact O-N 3.15Å
241	L	98.4	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.4	-44.8	173.5	170	60.3	0	0	0	111.3	F212 F217 L226 L228 L233 L237 T238 L243 E244 L245 L255	F212-L241 HydrophobicContact CD1-CD1 4.27Å; F212-L241 HydrophobicContact CD2-CB 3.99Å; F212-L241 HydrophobicContact CE1-CD1 3.93Å; F212-L241 HydrophobicContact CE2-CB 3.73Å; F212-L241 HydrophobicContact CE2-CD1 4.21Å; F212-L241 HydrophobicContact CE2-CD2 4.48Å; F212-L241 HydrophobicContact CE2-CG 4.35Å; F212-L241 HydrophobicContact CZ-CB 4.24Å; F212-L241 HydrophobicContact CZ-CD1 3.9Å; F212-L241 HydrophobicContact CZ-CD2 4.29Å; F212-L241 HydrophobicContact CZ-CG 4.37Å; F217-L241 HydrophobicContact CE2-CD1 3.58Å; F217-L241 HydrophobicContact CZ-CD1 3.87Å; L226-L241 HydrophobicContact CD2-CD1 4.07Å; L228-L241 HydrophobicContact CD1-CD1 4.06Å; L228-L241 HydrophobicContact CD1-CD2 3.56Å; L228-L241 HydrophobicContact CD1-CG 4.48Å; L233-L241 HydrophobicContact CD1-CD2 3.9Å; L237-L241 PolarHBondContact O-N 2.9Å; T238-L241 WeakPolarHBondContact O-CB 3.5Å; T238-L241 PolarHBondContact O-N 2.78Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 2.91Å; L241-E244 PolarHBondContact O-N 3.45Å; L241-L245 HydrophobicContact CD1-CD1 3.9Å; L241-L245 HydrophobicContact CD1-CG 4.13Å; L241-L245 HydrophobicContact CG-CD1 4.05Å; L241-L245 WeakPolarHBondContact O-CG 3.25Å; L241-L245 PolarHBondContact O-N 3.12Å; L241-L255 HydrophobicContact CD2-CD2 3.83Å
242	C	98.4	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-37.1	179	-67.4	0	0	0	0	112.4	T238 E239 K240 L245 A246 T267 G270 L271	T238-C242 PolarHBondContact O-N 3.31Å; T238-C242 PolarHBondContact O-SG 2.89Å; E239-C242 PolarHBondContact O-N 3.43Å; K240-C242 VanDerWaalsContact C-N 3.28Å; K240-C242 PolarHBondContact O-N 2.89Å; C242-L245 PolarHBondContact O-N 2.84Å; C242-A246 PolarHBondContact O-N 2.87Å; C242-T267 PolarHBondContact SG-O 3.3Å; C242-G270 CarbonylContact O-C 3.51Å; C242-G270 VanDerWaalsContact O-C 3.26Å; C242-G270 VanDerWaalsContact O-CA 3.25Å; C242-G270 WeakPolarHBondContact O-CA 3.34Å; C242-L271 HydrophobicContact CB-CD2 4.19Å; C242-L271 HydrophobicContact CB-CG 3.93Å
243	L	98.1	Very high	97.8	Very high	84 Å²	84	42.5 Å²	42.5	44%	0.44	22%	0.224	S	C	.	.	H	α-helix	trans	-66.5	-42	174.3	-68.1	169.5	0	0	0	112.1	E239 K240 L241 L245 A246	E239-L243 WeakPolarHBondContact O-CG 3.21Å; E239-L243 PolarHBondContact O-N 2.93Å; E239-L243 VanDerWaalsContact O-N 3.12Å; K240-L243 PolarHBondContact O-N 3.36Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 2.91Å; L243-L245 PolarHBondContact O-N 3.36Å; L243-A246 WeakPolarHBondContact O-CB 3.43Å; L243-A246 PolarHBondContact O-N 3.27Å; L243-A246 VanDerWaalsContact O-N 3.16Å
244	E	98.2	Very high	98	Very high	33 Å²	33	42 Å²	42	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-20.4	175.5	-67.9	-62.1	133.6	0	0	113.4	F212 P214 G215 F217 H218 K240 L241	F212-E244 HydrophobicContact CB-CG 4.03Å; P214-E244 WeakPolarHBondContact CA-OE1 3.34Å; P214-E244 WeakPolarHBondContact CA-OE2 3.49Å; G215-E244 PolarHBondContact N-OE2 3.32Å; F217-E244 HydrophobicContact CD2-CB 3.95Å; F217-E244 HydrophobicContact CE2-CB 4.27Å; H218-E244 PolarHBondContact CE1-O 3.4Å; K240-E244 PolarHBondContact O-N 3.15Å; L241-E244 PolarHBondContact O-N 3.45Å
245	L	98.5	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.4	172.7	-72.2	171.8	0	0	0	113.8	F217 L223 L226 L241 C242 L243 N247 T248 L253 L271 T274	F217-L245 HydrophobicContact CD2-CD2 3.91Å; F217-L245 HydrophobicContact CD2-CG 4.29Å; F217-L245 HydrophobicContact CE2-CD2 4.25Å; F217-L245 HydrophobicContact CE2-CG 4.44Å; F217-L245 HydrophobicContact CG-CD2 4.09Å; L223-L245 HydrophobicContact CD2-CD2 4.28Å; L226-L245 HydrophobicContact CD2-CD1 4.26Å; L226-L245 HydrophobicContact CD2-CD2 4.01Å; L241-L245 HydrophobicContact CD1-CD1 3.9Å; L241-L245 HydrophobicContact CD1-CG 4.13Å; L241-L245 HydrophobicContact CG-CD1 4.05Å; L241-L245 WeakPolarHBondContact O-CG 3.25Å; L241-L245 PolarHBondContact O-N 3.12Å; C242-L245 PolarHBondContact O-N 2.84Å; L243-L245 PolarHBondContact O-N 3.36Å; L245-N247 PolarHBondContact O-N 3.13Å; L245-T248 WeakPolarHBondContact O-CB 3.44Å; L245-T248 WeakPolarHBondContact O-CG2 3.3Å; L245-T248 PolarHBondContact O-N 2.83Å; L245-T248 PolarHBondContact O-OG1 3.03Å; L245-L253 HydrophobicContact CD1-CD1 4.02Å; L245-L253 HydrophobicContact CD1-CD2 4Å; L245-L271 HydrophobicContact CB-CD2 3.96Å; L245-L271 HydrophobicContact CD1-CD2 4.06Å; L245-T274 VanDerWaalsContact O-CG2 3.29Å; L245-T274 WeakPolarHBondContact O-CG2 3.45Å
246	A	98.2	Very high	98.2	Very high	10 Å²	10	40.5 Å²	40.5	8%	0.083	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.7	-178.4	0	0	0	0	0	112	H218 C242 L243 T248 G270 W273	H218-A246 PolarHBondContact NE2-O 3.05Å; C242-A246 PolarHBondContact O-N 2.87Å; L243-A246 WeakPolarHBondContact O-CB 3.43Å; L243-A246 PolarHBondContact O-N 3.27Å; L243-A246 VanDerWaalsContact O-N 3.16Å; A246-T248 PolarHBondContact O-N 2.89Å; A246-G270 WeakPolarHBondContact CB-O 3.34Å; A246-W273 HydrophobicContact CB-CB 4.14Å; A246-W273 HydrophobicContact CB-CE3 4.09Å
247	N	97.8	Very high	98.3	Very high	124 Å²	124	39 Å²	39	66%	0.663	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	12.7	-176.3	-46.5	-83.5	0	0	0	115.1	L245 W273	L245-N247 PolarHBondContact O-N 3.13Å; N247-W273 VanDerWaalsContact CA-O 3.28Å; N247-W273 WeakPolarHBondContact CA-O 3.44Å; N247-W273 PolarHBondContact N-O 3.31Å
248	T	98	Very high	98.3	Very high	20 Å²	20	37.9 Å²	37.9	12%	0.123	19%	0.189	C	C	.	.	S	Bend	trans	-81.6	168.4	169.6	68.7	0	0	0	0	111.5	F217 L245 A246 I250	F217-T248 HydrophobicContact CB-CG2 4.22Å; L245-T248 WeakPolarHBondContact O-CB 3.44Å; L245-T248 WeakPolarHBondContact O-CG2 3.3Å; L245-T248 PolarHBondContact O-N 2.83Å; L245-T248 PolarHBondContact O-OG1 3.03Å; A246-T248 PolarHBondContact O-N 2.89Å; T248-I250 PolarHBondContact O-N 2.74Å; T248-I250 WeakPolarHBondContact OG1-CB 3.19Å; T248-I250 WeakPolarHBondContact OG1-CG2 3.24Å
249	S	98	Very high	98.1	Very high	43 Å²	43	42.5 Å²	42.5	30%	0.301	21%	0.211	S	C	.	.			trans	-79.2	14.6	175.3	-66.8	0	0	0	0	114	L223 L224	L223-S249 CarbonylContact O-C 3.55Å; L223-S249 WeakPolarHBondContact O-CA 3.26Å; L223-S249 WeakPolarHBondContact O-CB 3.1Å; L224-S249 WeakPolarHBondContact CD2-O 3.35Å
250	I	98.6	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.			trans	-60.4	136.1	-168.9	-166	73.7	0	0	0	112.1	L223 L226 T248 T274 N275 L276	L223-I250 HydrophobicContact CD2-CD1 4.33Å; L223-I250 HydrophobicContact CG-CD1 4.08Å; L223-I250 WeakPolarHBondContact O-CA 3.13Å; L223-I250 PolarHBondContact O-N 3.23Å; L223-I250 VanDerWaalsContact O-N 3.1Å; L226-I250 HydrophobicContact CB-CD1 3.83Å; T248-I250 PolarHBondContact O-N 2.74Å; T248-I250 WeakPolarHBondContact OG1-CB 3.19Å; T248-I250 WeakPolarHBondContact OG1-CG2 3.24Å; I250-T274 HydrophobicContact CG2-CG2 3.55Å; I250-N275 CarbonylContact O-C 3.4Å; I250-L276 HydrophobicContact CG1-CD1 3.88Å; I250-L276 HydrophobicContact CG2-CD1 4.19Å
251	R	98.4	Very high	97.8	Very high	141 Å²	141	35.9 Å²	35.9	53%	0.532	19%	0.189	S	C	.	.			trans	-124.5	-38.3	178.5	-69.3	-171	178.5	-151	-3.2	112.7	L224 L276 T277 M278	L224-R251 WeakPolarHBondContact O-CA 3.4Å; L224-R251 WeakPolarHBondContact O-CB 3.4Å; L224-R251 PolarHBondContact O-N 2.99Å; R251-L276 VanDerWaalsContact C-CD1 3.47Å; R251-L276 VanDerWaalsContact O-CD1 3.31Å; R251-L276 WeakPolarHBondContact O-CD1 3.37Å; R251-T277 PolarHBondContact O-N 3.1Å; R251-T277 PolarHBondContact O-OG1 3.4Å; R251-M278 PolarHBondContact O-N 2.96Å
252	N	98.8	Very high	97.7	Very high	61 Å²	61	38.7 Å²	38.7	33%	0.326	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.6	-177.1	-68.3	13.6	0	0	0	109.9	L224 G225 L226 M278	L224-N252 PolarHBondContact O-N 3.41Å; G225-N252 VanDerWaalsContact CA-O 3.31Å; G225-N252 WeakPolarHBondContact CA-O 3.43Å; L226-N252 PolarHBondContact N-O 3.28Å; N252-M278 WeakPolarHBondContact CA-O 3.48Å; N252-M278 HydrophobicContact CB-CB 4.47Å; N252-M278 HydrophobicContact CB-CE 3.92Å
253	L	98.9	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.1	177.2	-177.5	61.8	0	0	0	109.9	L226 L245 L255 L271 L276 M278 L279 D280	L226-L253 HydrophobicContact CB-CD1 4.11Å; L226-L253 HydrophobicContact CD2-CD1 4.1Å; L226-L253 HydrophobicContact CG-CD1 4.2Å; L226-L253 WeakPolarHBondContact O-CA 3.41Å; L245-L253 HydrophobicContact CD1-CD1 4.02Å; L245-L253 HydrophobicContact CD1-CD2 4Å; L253-L255 HydrophobicContact CD1-CD2 3.96Å; L253-L255 HydrophobicContact CD1-CG 4.37Å; L253-L255 HydrophobicContact CD2-CD1 4.25Å; L253-L255 HydrophobicContact CG-CD1 4.34Å; L253-L255 HydrophobicContact CG-CD2 4.21Å; L253-L255 HydrophobicContact CG-CG 4.07Å; L253-L271 HydrophobicContact CD2-CD1 3.93Å; L253-L271 HydrophobicContact CD2-CD2 4.34Å; L253-L276 HydrophobicContact CB-CD1 3.75Å; L253-L276 HydrophobicContact CB-CD2 4.19Å; L253-M278 PolarHBondContact N-O 3.09Å; L253-L279 HydrophobicContact CB-CD1 4.11Å; L253-L279 HydrophobicContact CD2-CD1 4.07Å; L253-L279 HydrophobicContact CG-CD1 4.14Å; L253-L279 WeakPolarHBondContact O-CA 3.5Å; L253-D280 PolarHBondContact O-N 3.3Å
254	S	98.8	Very high	97.7	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.5	-177.8	179.1	0	0	0	0	109	L226 F227 L228 N229 D280	L226-S254 PolarHBondContact O-N 3.48Å; F227-S254 VanDerWaalsContact CD1-CB 3.46Å; L228-S254 PolarHBondContact N-O 3.09Å; N229-S254 PolarHBondContact ND2-OG 2.89Å; N229-S254 PolarHBondContact OD1-O 3.03Å; N229-S254 PolarHBondContact OD1-OG 2.83Å; S254-D280 PolarHBondContact OG-OD2 3.34Å
255	L	98.6	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.			trans	-124.8	31.5	-175.6	-54.1	179.4	0	0	0	110.4	L228 N229 L233 T238 L241 L253 N257 S258 F268 D280 L281 N284	L228-L255 HydrophobicContact CB-CD2 4.03Å; L228-L255 HydrophobicContact CD1-CD2 4.32Å; N229-L255 PolarHBondContact OD1-N 2.75Å; L233-L255 HydrophobicContact CD1-CD2 4.11Å; T238-L255 HydrophobicContact CG2-CD1 3.95Å; L241-L255 HydrophobicContact CD2-CD2 3.83Å; L253-L255 HydrophobicContact CD1-CD2 3.96Å; L253-L255 HydrophobicContact CD1-CG 4.37Å; L253-L255 HydrophobicContact CD2-CD1 4.25Å; L253-L255 HydrophobicContact CG-CD1 4.34Å; L253-L255 HydrophobicContact CG-CD2 4.21Å; L253-L255 HydrophobicContact CG-CG 4.07Å; L255-N257 PolarHBondContact O-N 3.01Å; L255-S258 VanDerWaalsContact O-CB 3.26Å; L255-S258 WeakPolarHBondContact O-CB 3.49Å; L255-S258 PolarHBondContact O-N 2.82Å; L255-S258 PolarHBondContact O-OG 3.42Å; L255-F268 HydrophobicContact CD1-CE1 4.43Å; L255-D280 PolarHBondContact N-O 2.86Å; L255-L281 HydrophobicContact CB-CD2 4.12Å; L255-L281 HydrophobicContact CD1-CD2 4.03Å; L255-L281 HydrophobicContact CG-CD2 4.49Å; L255-N284 PolarHBondContact O-ND2 2.87Å; L255-N284 PolarHBondContact O-OD1 3.01Å
256	S	98.6	Very high	97.5	Very high	16 Å²	16	42 Å²	42	11%	0.112	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	131.3	-178.2	-172.2	0	0	0	0	111.1	N229 N230 S258 D280 S282	N229-S256 CarbonylContact C-O 3.24Å; N229-S256 WeakPolarHBondContact CA-O 3.32Å; N229-S256 WeakPolarHBondContact OD1-CB 3.43Å; N229-S256 PolarHBondContact OD1-N 3.03Å; N230-S256 PolarHBondContact N-O 2.94Å; S256-S258 VanDerWaalsContact C-N 3.26Å; S256-S258 PolarHBondContact O-N 3.5Å; S256-D280 WeakPolarHBondContact CB-OD2 3.37Å; S256-S282 CarbonylContact C-O 3.49Å; S256-S282 VanDerWaalsContact CA-O 3.24Å; S256-S282 WeakPolarHBondContact CA-O 3.31Å; S256-S282 VanDerWaalsContact CB-OG 3.29Å; S256-S282 WeakPolarHBondContact CB-OG 3.47Å; S256-S282 PolarHBondContact OG-O 3.45Å; S256-S282 PolarHBondContact OG-OG 3.34Å
257	N	98	Very high	97.5	Very high	62 Å²	62	41.6 Å²	41.6	33%	0.332	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	42	-177.8	-167.2	2.7	0	0	0	113.1	N230 L255 Q259 S282 H283	N230-N257 VanDerWaalsContact CA-O 3.3Å; N230-N257 WeakPolarHBondContact CA-O 3.36Å; N230-N257 PolarHBondContact ND2-ND2 3Å; N230-N257 VanDerWaalsContact ND2-ND2 3.13Å; L255-N257 PolarHBondContact O-N 3.01Å; N257-Q259 VanDerWaalsContact C-N 3.32Å; N257-S282 PolarHBondContact N-O 2.88Å; N257-H283 WeakPolarHBondContact CA-O 3.37Å; N257-H283 HydrophobicContact CB-CB 3.94Å
258	S	96.8	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-92.1	12.1	175	64.7	0	0	0	0	114.3	V231 L233 G234 L255 S256 L260 N284	V231-S258 CarbonylContact O-C 3.58Å; V231-S258 WeakPolarHBondContact O-CA 3.44Å; V231-S258 VanDerWaalsContact O-CB 3.24Å; V231-S258 WeakPolarHBondContact O-CB 3.41Å; L233-S258 PolarHBondContact N-O 2.95Å; G234-S258 PolarHBondContact N-O 2.68Å; L255-S258 VanDerWaalsContact O-CB 3.26Å; L255-S258 WeakPolarHBondContact O-CB 3.49Å; L255-S258 PolarHBondContact O-N 2.82Å; L255-S258 PolarHBondContact O-OG 3.42Å; S256-S258 VanDerWaalsContact C-N 3.26Å; S256-S258 PolarHBondContact O-N 3.5Å; S258-L260 VanDerWaalsContact C-N 3.29Å; S258-L260 PolarHBondContact O-N 3.13Å; S258-N284 WeakPolarHBondContact CA-OD1 3.48Å; S258-N284 PolarHBondContact N-OD1 3.01Å; S258-N284 PolarHBondContact OG-OD1 3.28Å
259	Q	94.5	Very high	97.5	Very high	96 Å²	96	37.5 Å²	37.5	45%	0.449	20%	0.204	S	C	.	.			trans	61.9	30.5	-177.5	-55.6	-175.8	-25.2	0	0	114	Q232 N257 S261 N284	Q232-Q259 HydrophobicContact CG-CG 4.46Å; N257-Q259 VanDerWaalsContact C-N 3.32Å; Q259-S261 VanDerWaalsContact C-N 3.28Å; Q259-S261 PolarHBondContact O-N 3.31Å; Q259-N284 PolarHBondContact N-OD1 3.22Å; Q259-N284 VanDerWaalsContact N-OD1 3.09Å
260	L	95.9	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.			trans	-74.3	77.1	175.8	-169.6	65.6	0	0	0	111.3	P235 T238 S258 T262 T263 T267 F268 L281 N284 L286	P235-L260 HydrophobicContact CB-CD1 4.15Å; P235-L260 HydrophobicContact CG-CD1 4.07Å; T238-L260 HydrophobicContact CG2-CD1 4.42Å; S258-L260 VanDerWaalsContact C-N 3.29Å; S258-L260 PolarHBondContact O-N 3.13Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 2.98Å; L260-T263 HydrophobicContact CD2-CG2 3.89Å; L260-T263 HydrophobicContact CG-CG2 4.16Å; L260-T267 HydrophobicContact CD1-CG2 4.25Å; L260-F268 HydrophobicContact CD2-CZ 3.86Å; L260-L281 HydrophobicContact CD2-CD1 4.3Å; L260-L281 HydrophobicContact CD2-CD2 3.88Å; L260-N284 HydrophobicContact CB-CB 4.08Å; L260-N284 WeakPolarHBondContact CB-OD1 3.16Å; L260-N284 PolarHBondContact N-OD1 3.04Å; L260-L286 WeakPolarHBondContact O-CA 3.49Å; L260-L286 WeakPolarHBondContact O-CD1 3.22Å
261	S	94.6	Very high	97.5	Very high	59 Å²	59	35.5 Å²	35.5	41%	0.413	19%	0.19	S	C	.	.			trans	-69.5	-23.8	-174.8	57.5	0	0	0	0	114.9	Q259 N287	Q259-S261 VanDerWaalsContact C-N 3.28Å; Q259-S261 PolarHBondContact O-N 3.31Å; S261-N287 PolarHBondContact O-N 2.9Å
262	T	97	Very high	97.5	Very high	59 Å²	59	34 Å²	34	36%	0.362	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.1	175.4	59.6	0	0	0	0	111.2	P235 L260 V288	P235-T262 WeakPolarHBondContact CG-O 3.29Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T262 PolarHBondContact O-N 2.98Å; T262-V288 WeakPolarHBondContact CA-O 3.22Å; T262-V288 HydrophobicContact CG2-CB 4.04Å; T262-V288 HydrophobicContact CG2-CG2 4.35Å
263	T	97.8	Very high	97.4	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.9	168.8	63.9	0	0	0	0	111.7	L260 F268 L286 V288 I289 G290 S293	L260-T263 HydrophobicContact CD2-CG2 3.89Å; L260-T263 HydrophobicContact CG-CG2 4.16Å; T263-F268 HydrophobicContact CG2-CE2 3.77Å; T263-F268 HydrophobicContact CG2-CZ 4.36Å; T263-L286 HydrophobicContact CG2-CD1 3.97Å; T263-L286 HydrophobicContact CG2-CD2 4.43Å; T263-V288 PolarHBondContact N-O 2.81Å; T263-I289 WeakPolarHBondContact OG1-CA 3.24Å; T263-G290 PolarHBondContact O-N 2.6Å; T263-S293 WeakPolarHBondContact CB-OG 3.46Å; T263-S293 PolarHBondContact O-OG 3.01Å; T263-S293 WeakPolarHBondContact OG1-CB 3.42Å; T263-S293 PolarHBondContact OG1-OG 2.94Å
264	S	97	Very high	97.4	Very high	38 Å²	38	37.6 Å²	37.6	27%	0.266	20%	0.198	S	C	.	.			trans	-123.2	165.9	174.8	65.7	0	0	0	0	110.8	T266 T267	S264-T266 PolarHBondContact O-N 2.85Å; S264-T266 VanDerWaalsContact O-N 3.09Å; S264-T266 PolarHBondContact OG-N 2.92Å; S264-T266 PolarHBondContact OG-OG1 3.2Å; S264-T267 PolarHBondContact N-OG1 3.31Å; S264-T267 PolarHBondContact O-N 2.99Å; S264-T267 VanDerWaalsContact O-N 3.1Å; S264-T267 PolarHBondContact O-OG1 3.05Å; S264-T267 PolarHBondContact OG-N 2.71Å; S264-T267 VanDerWaalsContact OG-N 3.08Å; S264-T267 PolarHBondContact OG-OG1 2.86Å
265	N	96.3	Very high	97.3	Very high	82 Å²	82	42.4 Å²	42.4	44%	0.439	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-6.2	167	66.2	-8.8	0	0	0	114.5	D292 W296	N265-D292 HydrophobicContact CB-CB 3.97Å; N265-W296 PolarHBondContact O-NE1 3.04Å
266	T	97.4	Very high	97.3	Very high	57 Å²	57	42.5 Å²	42.5	35%	0.35	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-29.9	170.5	63.1	0	0	0	0	112.8	E239 S264 F268 L269	E239-T266 WeakPolarHBondContact OE2-CB 2.96Å; E239-T266 PolarHBondContact OE2-OG1 3.43Å; S264-T266 PolarHBondContact O-N 2.85Å; S264-T266 VanDerWaalsContact O-N 3.09Å; S264-T266 PolarHBondContact OG-N 2.92Å; S264-T266 PolarHBondContact OG-OG1 3.2Å; T266-F268 VanDerWaalsContact C-N 3.25Å; T266-F268 PolarHBondContact O-N 2.92Å; T266-L269 VanDerWaalsContact O-CB 3.22Å; T266-L269 WeakPolarHBondContact O-CB 3.11Å; T266-L269 PolarHBondContact O-N 2.94Å
267	T	98.1	Very high	97.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.2	-167.9	-57	0	0	0	0	113.4	T238 E239 C242 L260 S264	T238-T267 HydrophobicContact CG2-CG2 4Å; E239-T267 WeakPolarHBondContact CA-O 3.28Å; C242-T267 PolarHBondContact SG-O 3.3Å; L260-T267 HydrophobicContact CD1-CG2 4.25Å; S264-T267 PolarHBondContact N-OG1 3.31Å; S264-T267 PolarHBondContact O-N 2.99Å; S264-T267 VanDerWaalsContact O-N 3.1Å; S264-T267 PolarHBondContact O-OG1 3.05Å; S264-T267 PolarHBondContact OG-N 2.71Å; S264-T267 VanDerWaalsContact OG-N 3.08Å; S264-T267 PolarHBondContact OG-OG1 2.86Å
268	F	98.4	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	14.1	-178.5	-60.9	-71.8	0	0	0	113.8	T238 L255 L260 T263 T266 G270 L271 L279 L281 S293 F294	T238-F268 HydrophobicContact CG2-CE1 4.01Å; T238-F268 HydrophobicContact CG2-CZ 4.49Å; L255-F268 HydrophobicContact CD1-CE1 4.43Å; L260-F268 HydrophobicContact CD2-CZ 3.86Å; T263-F268 HydrophobicContact CG2-CE2 3.77Å; T263-F268 HydrophobicContact CG2-CZ 4.36Å; T266-F268 VanDerWaalsContact C-N 3.25Å; T266-F268 PolarHBondContact O-N 2.92Å; F268-G270 VanDerWaalsContact C-N 3.29Å; F268-G270 PolarHBondContact O-N 2.94Å; F268-L271 HydrophobicContact CB-CD1 4.25Å; F268-L271 HydrophobicContact CD1-CD1 3.73Å; F268-L271 HydrophobicContact CG-CD1 4.43Å; F268-L271 WeakPolarHBondContact O-CB 3.32Å; F268-L271 PolarHBondContact O-N 3.46Å; F268-L279 HydrophobicContact CE1-CD2 4.44Å; F268-L281 HydrophobicContact CE1-CD2 4.3Å; F268-L281 HydrophobicContact CE2-CD1 4.21Å; F268-L281 HydrophobicContact CZ-CD1 3.77Å; F268-L281 HydrophobicContact CZ-CD2 3.93Å; F268-S293 WeakPolarHBondContact CD2-O 3.49Å; F268-F294 AromaticContact CD2-CD1 3.97Å; F268-F294 HydrophobicContact CD2-CD1 3.97Å; F268-F294 AromaticContact CD2-CE1 3.94Å; F268-F294 HydrophobicContact CD2-CE1 3.94Å; F268-F294 HydrophobicContact CE2-CD1 4.08Å; F268-F294 AromaticContact CE2-CE1 3.57Å; F268-F294 HydrophobicContact CE2-CE1 3.57Å; F268-F294 HydrophobicContact CZ-CE1 4.4Å
269	L	97.9	Very high	97.5	Very high	58 Å²	58	41.4 Å²	41.4	30%	0.304	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-55.2	-39.3	-173.7	176.5	61.7	0	0	0	113.5	T266 L271 K272 W273 W296	T266-L269 VanDerWaalsContact O-CB 3.22Å; T266-L269 WeakPolarHBondContact O-CB 3.11Å; T266-L269 PolarHBondContact O-N 2.94Å; L269-L271 PolarHBondContact O-N 3.49Å; L269-K272 WeakPolarHBondContact O-CB 3.3Å; L269-K272 PolarHBondContact O-N 3.45Å; L269-W273 WeakPolarHBondContact O-CZ3 3.41Å; L269-W296 HydrophobicContact CD1-CD2 3.91Å; L269-W296 HydrophobicContact CD1-CE3 4.38Å; L269-W296 HydrophobicContact CD1-CG 4.47Å; L269-W296 HydrophobicContact CD1-CH2 4.15Å; L269-W296 HydrophobicContact CD1-CZ2 3.64Å; L269-W296 HydrophobicContact CD1-CZ3 4.49Å
270	G	97.4	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.7	-23.1	178.4	0	0	0	0	0	114.6	C242 A246 F268 K272 W273	C242-G270 CarbonylContact O-C 3.51Å; C242-G270 VanDerWaalsContact O-C 3.26Å; C242-G270 VanDerWaalsContact O-CA 3.25Å; C242-G270 WeakPolarHBondContact O-CA 3.34Å; A246-G270 WeakPolarHBondContact CB-O 3.34Å; F268-G270 VanDerWaalsContact C-N 3.29Å; F268-G270 PolarHBondContact O-N 2.94Å; G270-K272 PolarHBondContact O-N 2.95Å; G270-W273 PolarHBondContact O-N 2.81Å
271	L	98.3	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-74	-10.6	177.6	-56.5	-178.5	0	0	0	112.9	C242 L245 L253 F268 L269 W273 T274 L276 L297	C242-L271 HydrophobicContact CB-CD2 4.19Å; C242-L271 HydrophobicContact CB-CG 3.93Å; L245-L271 HydrophobicContact CB-CD2 3.96Å; L245-L271 HydrophobicContact CD1-CD2 4.06Å; L253-L271 HydrophobicContact CD2-CD1 3.93Å; L253-L271 HydrophobicContact CD2-CD2 4.34Å; F268-L271 HydrophobicContact CB-CD1 4.25Å; F268-L271 HydrophobicContact CD1-CD1 3.73Å; F268-L271 HydrophobicContact CG-CD1 4.43Å; F268-L271 WeakPolarHBondContact O-CB 3.32Å; F268-L271 PolarHBondContact O-N 3.46Å; L269-L271 PolarHBondContact O-N 3.49Å; L271-W273 PolarHBondContact O-N 3.06Å; L271-W273 VanDerWaalsContact O-N 3.13Å; L271-T274 HydrophobicContact CD2-CG2 4.34Å; L271-T274 WeakPolarHBondContact O-CB 3.38Å; L271-T274 PolarHBondContact O-N 3.1Å; L271-T274 PolarHBondContact O-OG1 2.6Å; L271-L276 HydrophobicContact CD1-CD2 4.24Å; L271-L297 HydrophobicContact CB-CD2 3.6Å; L271-L297 HydrophobicContact CD1-CD2 3.98Å; L271-L297 HydrophobicContact CG-CD2 4.45Å
272	K	97.7	Very high	98	Very high	111 Å²	111	35.3 Å²	35.3	48%	0.483	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-52.9	-30.9	170.4	-172.3	-176.5	-175	173.9	0	113.1	L269 G270 T274 W296	L269-K272 WeakPolarHBondContact O-CB 3.3Å; L269-K272 PolarHBondContact O-N 3.45Å; G270-K272 PolarHBondContact O-N 2.95Å; K272-T274 VanDerWaalsContact C-N 3.3Å; K272-T274 PolarHBondContact O-N 3.08Å; K272-W296 WeakPolarHBondContact CA-O 3.43Å; K272-W296 HydrophobicContact CB-CB 4.06Å; K272-W296 HydrophobicContact CB-CE3 4.28Å; K272-W296 HydrophobicContact CB-CG 4.49Å; K272-W296 HydrophobicContact CD-CD2 4.48Å; K272-W296 HydrophobicContact CD-CE3 3.61Å; K272-W296 HydrophobicContact CD-CZ3 3.88Å; K272-W296 HydrophobicContact CG-CE3 3.96Å
273	W	98.1	Very high	98.1	Very high	127 Å²	127	36.3 Å²	36.3	48%	0.481	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-96.3	33.1	179	-60.7	-82.7	0	0	0	112	A246 N247 L269 G270 L271	A246-W273 HydrophobicContact CB-CB 4.14Å; A246-W273 HydrophobicContact CB-CE3 4.09Å; N247-W273 VanDerWaalsContact CA-O 3.28Å; N247-W273 WeakPolarHBondContact CA-O 3.44Å; N247-W273 PolarHBondContact N-O 3.31Å; L269-W273 WeakPolarHBondContact O-CZ3 3.41Å; G270-W273 PolarHBondContact O-N 2.81Å; L271-W273 PolarHBondContact O-N 3.06Å; L271-W273 VanDerWaalsContact O-N 3.13Å
274	T	98	Very high	98.1	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.055	18%	0.182	C	C	.	.	S	Bend	trans	-140.3	157.3	-179.9	75.2	0	0	0	0	110.9	L245 I250 L271 K272	L245-T274 VanDerWaalsContact O-CG2 3.29Å; L245-T274 WeakPolarHBondContact O-CG2 3.45Å; I250-T274 HydrophobicContact CG2-CG2 3.55Å; L271-T274 HydrophobicContact CD2-CG2 4.34Å; L271-T274 WeakPolarHBondContact O-CB 3.38Å; L271-T274 PolarHBondContact O-N 3.1Å; L271-T274 PolarHBondContact O-OG1 2.6Å; K272-T274 VanDerWaalsContact C-N 3.3Å; K272-T274 PolarHBondContact O-N 3.08Å
275	N	97.9	Very high	98	Very high	105 Å²	105	39.7 Å²	39.7	56%	0.561	20%	0.199	S	C	*	.			trans	-103.7	54.2	174.3	-66.2	15.3	0	0	0	109.5	I250 T277	I250-N275 CarbonylContact O-C 3.4Å; N275-T277 PolarHBondContact O-N 2.97Å
276	L	98.6	Very high	98	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.178	C	C	.	.			trans	-67	120.9	-178.4	-163.8	82.4	0	0	0	110.8	I250 R251 L253 L271 L279 L297 H299 L300	I250-L276 HydrophobicContact CG1-CD1 3.88Å; I250-L276 HydrophobicContact CG2-CD1 4.19Å; R251-L276 VanDerWaalsContact C-CD1 3.47Å; R251-L276 VanDerWaalsContact O-CD1 3.31Å; R251-L276 WeakPolarHBondContact O-CD1 3.37Å; L253-L276 HydrophobicContact CB-CD1 3.75Å; L253-L276 HydrophobicContact CB-CD2 4.19Å; L271-L276 HydrophobicContact CD1-CD2 4.24Å; L276-L279 HydrophobicContact CD2-CB 3.93Å; L276-L279 HydrophobicContact CD2-CD1 4.21Å; L276-L297 HydrophobicContact CD2-CD2 4.29Å; L276-H299 CarbonylContact O-C 3.44Å; L276-L300 HydrophobicContact CD2-CD1 4.23Å; L276-L300 WeakPolarHBondContact O-CA 3.35Å; L276-L300 PolarHBondContact O-N 2.74Å
277	T	98.6	Very high	97.9	Very high	31 Å²	31	35.1 Å²	35.1	19%	0.19	17%	0.172	C	C	.	.			trans	-103.3	-24.7	-179.3	49.4	0	0	0	0	113.2	R251 N275 E301 Y302	R251-T277 PolarHBondContact O-N 3.1Å; R251-T277 PolarHBondContact O-OG1 3.4Å; N275-T277 PolarHBondContact O-N 2.97Å; T277-E301 PolarHBondContact O-N 3.23Å; T277-Y302 PolarHBondContact O-N 2.96Å
278	M	98.8	Very high	97.8	Very high	25 Å²	25	38.2 Å²	38.2	12%	0.123	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.5	175.8	-174.7	-82.4	-86.8	0	0	111.3	R251 N252 L253 D280 Y302 F304	R251-M278 PolarHBondContact O-N 2.96Å; N252-M278 WeakPolarHBondContact CA-O 3.48Å; N252-M278 HydrophobicContact CB-CB 4.47Å; N252-M278 HydrophobicContact CB-CE 3.92Å; L253-M278 PolarHBondContact N-O 3.09Å; M278-D280 HydrophobicContact SD-CB 4.05Å; M278-Y302 WeakPolarHBondContact CA-O 3.41Å; M278-F304 HydrophobicContact CG-CD2 4.16Å; M278-F304 HydrophobicContact CG-CE2 3.76Å; M278-F304 HydrophobicContact SD-CD2 4.18Å; M278-F304 HydrophobicContact SD-CE2 4.23Å
279	L	98.9	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.5	172.7	-178.5	61.2	0	0	0	109.2	L253 F268 L276 L281 L297 L300 Y302 F303 F304	L253-L279 HydrophobicContact CB-CD1 4.11Å; L253-L279 HydrophobicContact CD2-CD1 4.07Å; L253-L279 HydrophobicContact CG-CD1 4.14Å; L253-L279 WeakPolarHBondContact O-CA 3.5Å; F268-L279 HydrophobicContact CE1-CD2 4.44Å; L276-L279 HydrophobicContact CD2-CB 3.93Å; L276-L279 HydrophobicContact CD2-CD1 4.21Å; L279-L281 HydrophobicContact CD1-CD2 4Å; L279-L281 HydrophobicContact CD1-CG 4.42Å; L279-L281 HydrophobicContact CD2-CD1 4.17Å; L279-L281 HydrophobicContact CD2-CD2 4.43Å; L279-L281 HydrophobicContact CD2-CG 4.22Å; L279-L281 HydrophobicContact CG-CD2 4.18Å; L279-L281 HydrophobicContact CG-CG 4.06Å; L279-L297 HydrophobicContact CD2-CD1 3.61Å; L279-L300 HydrophobicContact CB-CD1 3.62Å; L279-L300 HydrophobicContact CB-CD2 4.27Å; L279-Y302 PolarHBondContact N-O 2.9Å; L279-Y302 VanDerWaalsContact N-O 3.14Å; L279-F303 HydrophobicContact CB-CD2 4.18Å; L279-F303 HydrophobicContact CB-CE2 4.38Å; L279-F303 HydrophobicContact CD2-CD2 4.44Å; L279-F303 HydrophobicContact CD2-CE2 3.85Å; L279-F303 HydrophobicContact CD2-CZ 4.48Å; L279-F303 HydrophobicContact CG-CD2 4.36Å; L279-F303 HydrophobicContact CG-CE2 4.09Å; L279-F304 PolarHBondContact O-N 3.22Å
280	D	98.9	Very high	97.7	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.4	175.9	156.8	40.2	0	0	0	110.9	L253 S254 L255 S256 M278 S282 F304	L253-D280 PolarHBondContact O-N 3.3Å; S254-D280 PolarHBondContact OG-OD2 3.34Å; L255-D280 PolarHBondContact N-O 2.86Å; S256-D280 WeakPolarHBondContact CB-OD2 3.37Å; M278-D280 HydrophobicContact SD-CB 4.05Å; D280-S282 WeakPolarHBondContact OD1-CB 3.46Å; D280-S282 PolarHBondContact OD1-N 2.99Å; D280-S282 PolarHBondContact OD1-OG 2.83Å; D280-F304 HydrophobicContact CB-CB 3.94Å; D280-F304 HydrophobicContact CB-CD2 4.18Å; D280-F304 HydrophobicContact CB-CG 4.4Å
281	L	98.7	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.			trans	-119.2	22.5	177.1	-55.4	-178	0	0	0	111.2	L255 L260 F268 L279 N284 F294 F303 F304 L305 N308	L255-L281 HydrophobicContact CB-CD2 4.12Å; L255-L281 HydrophobicContact CD1-CD2 4.03Å; L255-L281 HydrophobicContact CG-CD2 4.49Å; L260-L281 HydrophobicContact CD2-CD1 4.3Å; L260-L281 HydrophobicContact CD2-CD2 3.88Å; F268-L281 HydrophobicContact CE1-CD2 4.3Å; F268-L281 HydrophobicContact CE2-CD1 4.21Å; F268-L281 HydrophobicContact CZ-CD1 3.77Å; F268-L281 HydrophobicContact CZ-CD2 3.93Å; L279-L281 HydrophobicContact CD1-CD2 4Å; L279-L281 HydrophobicContact CD1-CG 4.42Å; L279-L281 HydrophobicContact CD2-CD1 4.17Å; L279-L281 HydrophobicContact CD2-CD2 4.43Å; L279-L281 HydrophobicContact CD2-CG 4.22Å; L279-L281 HydrophobicContact CG-CD2 4.18Å; L279-L281 HydrophobicContact CG-CG 4.06Å; L281-N284 PolarHBondContact O-ND2 2.92Å; L281-F294 HydrophobicContact CD1-CE1 3.86Å; L281-F294 HydrophobicContact CD1-CZ 4.21Å; L281-F303 HydrophobicContact CD1-CE2 3.93Å; L281-F303 HydrophobicContact CD1-CZ 4.19Å; L281-F303 HydrophobicContact CG-CE2 4.16Å; L281-F304 PolarHBondContact N-O 3.01Å; L281-L305 HydrophobicContact CB-CD2 4.03Å; L281-L305 HydrophobicContact CD1-CD2 4.33Å; L281-N308 PolarHBondContact O-ND2 3.23Å
282	S	98.6	Very high	97.6	Very high	9 Å²	9	42 Å²	42	6%	0.063	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	160.7	179.3	60.6	0	0	0	0	113.1	S256 N257 D280 N284 E306	S256-S282 CarbonylContact C-O 3.49Å; S256-S282 VanDerWaalsContact CA-O 3.24Å; S256-S282 WeakPolarHBondContact CA-O 3.31Å; S256-S282 VanDerWaalsContact CB-OG 3.29Å; S256-S282 WeakPolarHBondContact CB-OG 3.47Å; S256-S282 PolarHBondContact OG-O 3.45Å; S256-S282 PolarHBondContact OG-OG 3.34Å; N257-S282 PolarHBondContact N-O 2.88Å; D280-S282 WeakPolarHBondContact OD1-CB 3.46Å; D280-S282 PolarHBondContact OD1-N 2.99Å; D280-S282 PolarHBondContact OD1-OG 2.83Å; S282-N284 PolarHBondContact O-N 3.14Å; S282-N284 PolarHBondContact O-ND2 2.59Å; S282-E306 CarbonylContact C-O 3.32Å; S282-E306 WeakPolarHBondContact CA-O 3.25Å; S282-E306 WeakPolarHBondContact CB-O 3.43Å
283	H	98.1	Very high	97.6	Very high	80 Å²	80	36.8 Å²	36.8	37%	0.37	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	20	172	-65.9	-80.7	0	0	0	116.3	N257 E306 Y307	N257-H283 WeakPolarHBondContact CA-O 3.37Å; N257-H283 HydrophobicContact CB-CB 3.94Å; H283-E306 PolarHBondContact N-O 2.92Å; H283-Y307 VanDerWaalsContact CA-O 3.3Å; H283-Y307 WeakPolarHBondContact CA-O 3.4Å; H283-Y307 WeakPolarHBondContact CE1-CB 3.5Å; H283-Y307 AromaticContact CE1-CD1 3.74Å; H283-Y307 AromaticContact CE1-CD2 3.61Å; H283-Y307 AromaticContact CE1-CG 3.3Å; H283-Y307 VanDerWaalsContact ND1-CB 3.34Å; H283-Y307 WeakPolarHBondContact ND1-CB 3.47Å; H283-Y307 AromaticContact ND1-CG 3.81Å; H283-Y307 AromaticContact NE2-CD2 3.63Å; H283-Y307 AromaticContact NE2-CG 3.8Å
284	N	97.8	Very high	97.6	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	17%	0.17	C	C	.	.	S	Bend	trans	-87.4	-4.1	-173.2	-91.4	-67.7	0	0	0	115.1	L255 S258 Q259 L260 L281 S282 L286 N308	L255-N284 PolarHBondContact O-ND2 2.87Å; L255-N284 PolarHBondContact O-OD1 3.01Å; S258-N284 WeakPolarHBondContact CA-OD1 3.48Å; S258-N284 PolarHBondContact N-OD1 3.01Å; S258-N284 PolarHBondContact OG-OD1 3.28Å; Q259-N284 PolarHBondContact N-OD1 3.22Å; Q259-N284 VanDerWaalsContact N-OD1 3.09Å; L260-N284 HydrophobicContact CB-CB 4.08Å; L260-N284 WeakPolarHBondContact CB-OD1 3.16Å; L260-N284 PolarHBondContact N-OD1 3.04Å; L281-N284 PolarHBondContact O-ND2 2.92Å; S282-N284 PolarHBondContact O-N 3.14Å; S282-N284 PolarHBondContact O-ND2 2.59Å; N284-L286 HydrophobicContact CB-CB 4.33Å; N284-L286 PolarHBondContact O-N 2.79Å; N284-N308 WeakPolarHBondContact CA-OD1 3.49Å; N284-N308 WeakPolarHBondContact CB-OD1 3.14Å; N284-N308 PolarHBondContact N-OD1 3Å
285	N	95.4	Very high	97.6	Very high	113 Å²	113	32.2 Å²	32.2	60%	0.604	18%	0.179	S	C	*	.			trans	54.9	26.6	-166.4	-66.9	68.9	0	0	0	112.6	N287 N308	N285-N287 PolarHBondContact O-N 2.92Å; N285-N308 PolarHBondContact N-OD1 2.78Å; N285-N308 VanDerWaalsContact N-OD1 3.1Å
286	L	96.9	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.			trans	-56.2	118.8	-178.4	177.5	56.1	0	0	0	110.2	L260 T263 N284 I289 L305 N308 N309 I310	L260-L286 WeakPolarHBondContact O-CA 3.49Å; L260-L286 WeakPolarHBondContact O-CD1 3.22Å; T263-L286 HydrophobicContact CG2-CD1 3.97Å; T263-L286 HydrophobicContact CG2-CD2 4.43Å; N284-L286 HydrophobicContact CB-CB 4.33Å; N284-L286 PolarHBondContact O-N 2.79Å; L286-I289 HydrophobicContact CD1-CG1 4.38Å; L286-I289 HydrophobicContact CD2-CD1 3.98Å; L286-I289 HydrophobicContact CD2-CG1 3.84Å; L286-I289 HydrophobicContact CG-CG1 4.07Å; L286-L305 HydrophobicContact CD2-CD2 3.84Å; L286-N308 HydrophobicContact CB-CB 4.09Å; L286-N308 VanDerWaalsContact CB-OD1 3.26Å; L286-N308 WeakPolarHBondContact CB-OD1 3.24Å; L286-N308 PolarHBondContact N-OD1 3.21Å; L286-N309 CarbonylContact O-C 3.47Å; L286-N309 WeakPolarHBondContact O-CA 3.49Å; L286-N309 PolarHBondContact O-N 2.7Å; L286-I310 WeakPolarHBondContact O-CG1 3.36Å; L286-I310 PolarHBondContact O-N 3.4Å
287	N	94.7	Very high	97.6	Very high	44 Å²	44	30.1 Å²	30.1	24%	0.235	16%	0.163	C	C	.	.			trans	-103.1	-40.2	-171	-173.7	-73.6	0	0	0	112.4	S261 N285 N309 I310 Q311	S261-N287 PolarHBondContact O-N 2.9Å; N285-N287 PolarHBondContact O-N 2.92Å; N287-N309 WeakPolarHBondContact CA-O 3.25Å; N287-I310 WeakPolarHBondContact O-CA 3.39Å; N287-Q311 PolarHBondContact ND2-NE2 3.41Å; N287-Q311 VanDerWaalsContact ND2-NE2 3.13Å; N287-Q311 PolarHBondContact O-N 3.24Å
288	V	96.2	Very high	97.6	Very high	66 Å²	66	30.6 Å²	30.6	40%	0.4	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.1	-178.2	-173.9	0	0	0	0	110.3	T262 T263	T262-V288 WeakPolarHBondContact CA-O 3.22Å; T262-V288 HydrophobicContact CG2-CB 4.04Å; T262-V288 HydrophobicContact CG2-CG2 4.35Å; T263-V288 PolarHBondContact N-O 2.81Å
289	I	97.7	Very high	97.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	101.1	167.6	-58.8	-176.6	0	0	0	108	T263 L286 F294 L305 I310 L313 S317	T263-I289 WeakPolarHBondContact OG1-CA 3.24Å; L286-I289 HydrophobicContact CD1-CG1 4.38Å; L286-I289 HydrophobicContact CD2-CD1 3.98Å; L286-I289 HydrophobicContact CD2-CG1 3.84Å; L286-I289 HydrophobicContact CG-CG1 4.07Å; I289-F294 HydrophobicContact CD1-CE2 4.32Å; I289-F294 HydrophobicContact CD1-CZ 4.45Å; I289-F294 HydrophobicContact CG2-CD2 4.45Å; I289-F294 HydrophobicContact CG2-CE2 3.52Å; I289-F294 HydrophobicContact CG2-CZ 3.94Å; I289-L305 HydrophobicContact CD1-CD1 4.39Å; I289-L305 HydrophobicContact CD1-CD2 4.32Å; I289-I310 HydrophobicContact CD1-CD1 3.61Å; I289-I310 HydrophobicContact CD1-CG1 4.23Å; I289-I310 HydrophobicContact CG1-CD1 4.34Å; I289-I310 HydrophobicContact CG1-CG1 4.44Å; I289-L313 HydrophobicContact CD1-CD1 4.44Å; I289-S317 PolarHBondContact O-OG 3.47Å
290	G	96.5	Very high	97.5	Very high	19 Å²	19	33.4 Å²	33.4	20%	0.196	18%	0.18	C	C	.	.			trans	-61.7	154.7	177.3	0	0	0	0	0	112.5	T263 S293	T263-G290 PolarHBondContact O-N 2.6Å; G290-S293 PolarHBondContact N-OG 3.05Å; G290-S293 WeakPolarHBondContact O-CB 3.19Å; G290-S293 PolarHBondContact O-N 3.09Å; G290-S293 PolarHBondContact O-OG 3.01Å
291	N	97.1	Very high	97.5	Very high	74 Å²	74	35.5 Å²	35.5	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	143.7	172.5	-69.6	-13.8	0	0	0	110.9	S293 L314 H316	N291-S293 PolarHBondContact O-N 3.19Å; N291-S293 VanDerWaalsContact O-N 3.07Å; N291-L314 WeakPolarHBondContact OD1-CB 3.4Å; N291-L314 VanDerWaalsContact OD1-CD1 3.3Å; N291-L314 WeakPolarHBondContact OD1-CD1 3.18Å; N291-H316 HydrophobicContact CB-CB 3.95Å
292	D	97.4	Very high	97.5	Very high	46 Å²	46	40.5 Å²	40.5	25%	0.246	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	15.3	176.5	-50.4	-60.6	0	0	0	115	N265 F294 V295 H316 H319	N265-D292 HydrophobicContact CB-CB 3.97Å; D292-F294 PolarHBondContact O-N 2.99Å; D292-F294 VanDerWaalsContact O-N 3.09Å; D292-V295 HydrophobicContact CB-CB 4.1Å; D292-V295 HydrophobicContact CB-CG1 4.04Å; D292-V295 WeakPolarHBondContact O-CG1 3.4Å; D292-V295 PolarHBondContact O-N 2.86Å; D292-H316 PolarHBondContact N-O 2.66Å; D292-H319 IonicContact OD1-CE1 3.94Å; D292-H319 IonicContact OD1-CG 2.71Å; D292-H319 IonicContact OD1-ND1 3.2Å; D292-H319 PolarHBondContact OD1-ND1 3.07Å
293	S	97.7	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.1	178	-69.4	0	0	0	0	113	T263 F268 G290 N291	T263-S293 WeakPolarHBondContact CB-OG 3.46Å; T263-S293 PolarHBondContact O-OG 3.01Å; T263-S293 WeakPolarHBondContact OG1-CB 3.42Å; T263-S293 PolarHBondContact OG1-OG 2.94Å; F268-S293 WeakPolarHBondContact CD2-O 3.49Å; G290-S293 PolarHBondContact N-OG 3.05Å; G290-S293 WeakPolarHBondContact O-CB 3.19Å; G290-S293 PolarHBondContact O-N 3.09Å; G290-S293 PolarHBondContact O-OG 3.01Å; N291-S293 PolarHBondContact O-N 3.19Å; N291-S293 VanDerWaalsContact O-N 3.07Å
294	F	98.2	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	11.3	-173.9	-47	-58.8	0	0	0	113.8	F268 L281 I289 D292 W296 L297 F303 S317 L318 L321	F268-F294 AromaticContact CD2-CD1 3.97Å; F268-F294 HydrophobicContact CD2-CD1 3.97Å; F268-F294 AromaticContact CD2-CE1 3.94Å; F268-F294 HydrophobicContact CD2-CE1 3.94Å; F268-F294 HydrophobicContact CE2-CD1 4.08Å; F268-F294 AromaticContact CE2-CE1 3.57Å; F268-F294 HydrophobicContact CE2-CE1 3.57Å; F268-F294 HydrophobicContact CZ-CE1 4.4Å; L281-F294 HydrophobicContact CD1-CE1 3.86Å; L281-F294 HydrophobicContact CD1-CZ 4.21Å; I289-F294 HydrophobicContact CD1-CE2 4.32Å; I289-F294 HydrophobicContact CD1-CZ 4.45Å; I289-F294 HydrophobicContact CG2-CD2 4.45Å; I289-F294 HydrophobicContact CG2-CE2 3.52Å; I289-F294 HydrophobicContact CG2-CZ 3.94Å; D292-F294 PolarHBondContact O-N 2.99Å; D292-F294 VanDerWaalsContact O-N 3.09Å; F294-W296 PolarHBondContact O-N 3.21Å; F294-L297 HydrophobicContact CB-CD1 4.24Å; F294-L297 HydrophobicContact CD1-CD1 4.17Å; F294-L297 WeakPolarHBondContact O-CB 3.34Å; F294-L297 PolarHBondContact O-N 3.13Å; F294-F303 AromaticContact CD1-CZ 3.99Å; F294-F303 HydrophobicContact CD1-CZ 3.99Å; F294-F303 AromaticContact CD2-CE1 3.93Å; F294-F303 HydrophobicContact CD2-CE1 3.93Å; F294-F303 HydrophobicContact CD2-CZ 4.08Å; F294-F303 HydrophobicContact CE1-CE1 4.48Å; F294-F303 AromaticContact CE1-CZ 3.69Å; F294-F303 HydrophobicContact CE1-CZ 3.69Å; F294-F303 AromaticContact CE2-CE1 3.89Å; F294-F303 HydrophobicContact CE2-CE1 3.89Å; F294-F303 AromaticContact CE2-CZ 3.77Å; F294-F303 HydrophobicContact CE2-CZ 3.77Å; F294-F303 HydrophobicContact CG-CE1 4.25Å; F294-F303 HydrophobicContact CG-CZ 4.2Å; F294-F303 HydrophobicContact CZ-CE1 4.21Å; F294-F303 AromaticContact CZ-CZ 3.6Å; F294-F303 HydrophobicContact CZ-CZ 3.6Å; F294-S317 VanDerWaalsContact CD2-O 3.25Å; F294-S317 WeakPolarHBondContact CD2-O 3.12Å; F294-L318 HydrophobicContact CD2-CD2 4.09Å; F294-L318 HydrophobicContact CE2-CD2 4.07Å; F294-L321 HydrophobicContact CB-CD1 3.85Å; F294-L321 HydrophobicContact CB-CD2 3.79Å; F294-L321 HydrophobicContact CB-CG 3.81Å; F294-L321 HydrophobicContact CD2-CD1 3.93Å; F294-L321 HydrophobicContact CG-CD1 4.14Å
295	V	97.9	Very high	97.6	Very high	40 Å²	40	38.4 Å²	38.4	24%	0.242	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.3	-177.8	79.5	0	0	0	0	113.1	D292 H319	D292-V295 HydrophobicContact CB-CB 4.1Å; D292-V295 HydrophobicContact CB-CG1 4.04Å; D292-V295 WeakPolarHBondContact O-CG1 3.4Å; D292-V295 PolarHBondContact O-N 2.86Å; V295-H319 WeakPolarHBondContact CA-O 3.12Å; V295-H319 PolarHBondContact N-O 3.15Å
296	W	97.9	Very high	97.7	Very high	60 Å²	60	34.5 Å²	34.5	23%	0.227	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	1.6	178.2	-48.6	120.3	0	0	0	114.6	N265 L269 K272 F294 P298	N265-W296 PolarHBondContact O-NE1 3.04Å; L269-W296 HydrophobicContact CD1-CD2 3.91Å; L269-W296 HydrophobicContact CD1-CE3 4.38Å; L269-W296 HydrophobicContact CD1-CG 4.47Å; L269-W296 HydrophobicContact CD1-CH2 4.15Å; L269-W296 HydrophobicContact CD1-CZ2 3.64Å; L269-W296 HydrophobicContact CD1-CZ3 4.49Å; K272-W296 WeakPolarHBondContact CA-O 3.43Å; K272-W296 HydrophobicContact CB-CB 4.06Å; K272-W296 HydrophobicContact CB-CE3 4.28Å; K272-W296 HydrophobicContact CB-CG 4.49Å; K272-W296 HydrophobicContact CD-CD2 4.48Å; K272-W296 HydrophobicContact CD-CE3 3.61Å; K272-W296 HydrophobicContact CD-CZ3 3.88Å; K272-W296 HydrophobicContact CG-CE3 3.96Å; F294-W296 PolarHBondContact O-N 3.21Å; W296-P298 WeakPolarHBondContact O-CD 3.39Å
297	L	98.3	Very high	97.8	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.193	C	C	.	.			trans	-115.4	53.7	-172.8	-56.3	178.7	0	0	0	113.5	L271 L276 L279 F294 H299 L300 L321	L271-L297 HydrophobicContact CB-CD2 3.6Å; L271-L297 HydrophobicContact CD1-CD2 3.98Å; L271-L297 HydrophobicContact CG-CD2 4.45Å; L276-L297 HydrophobicContact CD2-CD2 4.29Å; L279-L297 HydrophobicContact CD2-CD1 3.61Å; F294-L297 HydrophobicContact CB-CD1 4.24Å; F294-L297 HydrophobicContact CD1-CD1 4.17Å; F294-L297 WeakPolarHBondContact O-CB 3.34Å; F294-L297 PolarHBondContact O-N 3.13Å; L297-H299 PolarHBondContact O-N 3.08Å; L297-H299 VanDerWaalsContact O-N 3.08Å; L297-L300 HydrophobicContact CB-CB 4.19Å; L297-L300 HydrophobicContact CD1-CD2 4.35Å; L297-L300 WeakPolarHBondContact O-CB 3.22Å; L297-L300 PolarHBondContact O-N 3.48Å; L297-L321 HydrophobicContact CB-CD2 4.09Å
298	P	97.3	Very high	98	Very high	40 Å²	40	37.5 Å²	37.5	26%	0.26	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.6	-175.1	31.7	-38.2	0	0	0	114.2	W296 F322 N323	W296-P298 WeakPolarHBondContact O-CD 3.39Å; P298-F322 HydrophobicContact CB-CE1 3.9Å; P298-F322 HydrophobicContact CB-CE2 4.23Å; P298-F322 HydrophobicContact CB-CZ 3.43Å; P298-F322 VanDerWaalsContact CB-CZ 3.43Å; P298-N323 PolarHBondContact O-ND2 3.44Å
299	H	98.2	Very high	98	Very high	85 Å²	85	36.7 Å²	36.7	39%	0.394	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4	180	-65.9	-54	0	0	0	113.6	L276 L297 E301	L276-H299 CarbonylContact O-C 3.44Å; L297-H299 PolarHBondContact O-N 3.08Å; L297-H299 VanDerWaalsContact O-N 3.08Å; H299-E301 PolarHBondContact O-N 2.78Å
300	L	98.8	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.			trans	-69.8	127.7	-178.3	-162.8	71.7	0	0	0	110.6	L276 L279 L297 F303 L321 N323 V324	L276-L300 HydrophobicContact CD2-CD1 4.23Å; L276-L300 WeakPolarHBondContact O-CA 3.35Å; L276-L300 PolarHBondContact O-N 2.74Å; L279-L300 HydrophobicContact CB-CD1 3.62Å; L279-L300 HydrophobicContact CB-CD2 4.27Å; L297-L300 HydrophobicContact CB-CB 4.19Å; L297-L300 HydrophobicContact CD1-CD2 4.35Å; L297-L300 WeakPolarHBondContact O-CB 3.22Å; L297-L300 PolarHBondContact O-N 3.48Å; L300-F303 HydrophobicContact CD2-CB 3.84Å; L300-F303 HydrophobicContact CD2-CD1 4.05Å; L300-F303 HydrophobicContact CD2-CD2 4.08Å; L300-F303 HydrophobicContact CD2-CG 3.75Å; L300-L321 HydrophobicContact CB-CD2 4.19Å; L300-L321 HydrophobicContact CD2-CD2 3.69Å; L300-N323 CarbonylContact O-C 3.59Å; L300-V324 HydrophobicContact CB-CG2 3.96Å; L300-V324 HydrophobicContact CD2-CG2 3.98Å; L300-V324 HydrophobicContact CG-CG2 4.07Å; L300-V324 VanDerWaalsContact O-CA 3.25Å; L300-V324 WeakPolarHBondContact O-CA 3.26Å; L300-V324 VanDerWaalsContact O-CG2 3.31Å; L300-V324 WeakPolarHBondContact O-CG2 3.32Å; L300-V324 PolarHBondContact O-N 2.93Å
301	E	98.8	Very high	97.8	Very high	61 Å²	61	40.2 Å²	40.2	29%	0.285	19%	0.189	S	C	.	.			trans	-111	-35.1	178.6	-63.5	-172.5	143	0	0	111.8	T277 H299 R325 Y326	T277-E301 PolarHBondContact O-N 3.23Å; H299-E301 PolarHBondContact O-N 2.78Å; E301-R325 PolarHBondContact O-N 3.16Å; E301-R325 IonicContact OE1-NE 3.89Å; E301-Y326 PolarHBondContact O-N 3.11Å
302	Y	98.9	Very high	97.7	Very high	105 Å²	105	39.7 Å²	39.7	41%	0.412	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.4	-177.1	-55.7	-92.9	0	0	0	110.2	T277 M278 L279 Y326	T277-Y302 PolarHBondContact O-N 2.96Å; M278-Y302 WeakPolarHBondContact CA-O 3.41Å; L279-Y302 PolarHBondContact N-O 2.9Å; L279-Y302 VanDerWaalsContact N-O 3.14Å; Y302-Y326 HydrophobicContact CD1-CG 4.3Å
303	F	98.9	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.7	-178.5	-164.5	-166	0	0	0	112.2	L279 L281 F294 L300 L305 L318 L321 V324 Y326 L327 N328	L279-F303 HydrophobicContact CB-CD2 4.18Å; L279-F303 HydrophobicContact CB-CE2 4.38Å; L279-F303 HydrophobicContact CD2-CD2 4.44Å; L279-F303 HydrophobicContact CD2-CE2 3.85Å; L279-F303 HydrophobicContact CD2-CZ 4.48Å; L279-F303 HydrophobicContact CG-CD2 4.36Å; L279-F303 HydrophobicContact CG-CE2 4.09Å; L281-F303 HydrophobicContact CD1-CE2 3.93Å; L281-F303 HydrophobicContact CD1-CZ 4.19Å; L281-F303 HydrophobicContact CG-CE2 4.16Å; F294-F303 AromaticContact CD1-CZ 3.99Å; F294-F303 HydrophobicContact CD1-CZ 3.99Å; F294-F303 AromaticContact CD2-CE1 3.93Å; F294-F303 HydrophobicContact CD2-CE1 3.93Å; F294-F303 HydrophobicContact CD2-CZ 4.08Å; F294-F303 HydrophobicContact CE1-CE1 4.48Å; F294-F303 AromaticContact CE1-CZ 3.69Å; F294-F303 HydrophobicContact CE1-CZ 3.69Å; F294-F303 AromaticContact CE2-CE1 3.89Å; F294-F303 HydrophobicContact CE2-CE1 3.89Å; F294-F303 AromaticContact CE2-CZ 3.77Å; F294-F303 HydrophobicContact CE2-CZ 3.77Å; F294-F303 HydrophobicContact CG-CE1 4.25Å; F294-F303 HydrophobicContact CG-CZ 4.2Å; F294-F303 HydrophobicContact CZ-CE1 4.21Å; F294-F303 AromaticContact CZ-CZ 3.6Å; F294-F303 HydrophobicContact CZ-CZ 3.6Å; L300-F303 HydrophobicContact CD2-CB 3.84Å; L300-F303 HydrophobicContact CD2-CD1 4.05Å; L300-F303 HydrophobicContact CD2-CD2 4.08Å; L300-F303 HydrophobicContact CD2-CG 3.75Å; F303-L305 HydrophobicContact CD1-CD1 4.08Å; F303-L305 HydrophobicContact CD2-CG 4.34Å; F303-L305 HydrophobicContact CE1-CD1 3.57Å; F303-L305 HydrophobicContact CE1-CG 4.23Å; F303-L305 HydrophobicContact CE2-CD1 4.17Å; F303-L305 HydrophobicContact CE2-CD2 4.35Å; F303-L305 HydrophobicContact CE2-CG 3.9Å; F303-L305 HydrophobicContact CZ-CD1 3.63Å; F303-L305 HydrophobicContact CZ-CD2 4.21Å; F303-L305 HydrophobicContact CZ-CG 3.84Å; F303-L318 HydrophobicContact CE1-CD2 4.38Å; F303-L321 HydrophobicContact CD1-CD1 3.74Å; F303-L321 HydrophobicContact CE1-CD1 3.6Å; F303-V324 HydrophobicContact CB-CG1 4.23Å; F303-Y326 PolarHBondContact N-O 2.92Å; F303-L327 HydrophobicContact CB-CD1 4.1Å; F303-L327 HydrophobicContact CD1-CD1 3.94Å; F303-L327 HydrophobicContact CG-CD1 4.22Å; F303-N328 PolarHBondContact O-N 3.26Å
304	F	98.9	Very high	97.7	Very high	49 Å²	49	40 Å²	40	22%	0.215	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.4	-179	-58.2	-89.4	0	0	0	109.8	M278 L279 D280 L281 E306 Y326 N328	M278-F304 HydrophobicContact CG-CD2 4.16Å; M278-F304 HydrophobicContact CG-CE2 3.76Å; M278-F304 HydrophobicContact SD-CD2 4.18Å; M278-F304 HydrophobicContact SD-CE2 4.23Å; L279-F304 PolarHBondContact O-N 3.22Å; D280-F304 HydrophobicContact CB-CB 3.94Å; D280-F304 HydrophobicContact CB-CD2 4.18Å; D280-F304 HydrophobicContact CB-CG 4.4Å; L281-F304 PolarHBondContact N-O 3.01Å; F304-E306 VanDerWaalsContact CA-OE2 3.24Å; F304-E306 WeakPolarHBondContact CA-OE2 3.37Å; F304-E306 VanDerWaalsContact CB-OE2 3.25Å; F304-E306 WeakPolarHBondContact CB-OE2 3.49Å; F304-E306 WeakPolarHBondContact CD1-OE1 3.1Å; F304-Y326 AromaticContact CD1-CE1 3.96Å; F304-Y326 HydrophobicContact CD1-CE1 3.96Å; F304-Y326 HydrophobicContact CE1-CD1 4.17Å; F304-Y326 AromaticContact CE1-CE1 3.44Å; F304-Y326 HydrophobicContact CE1-CE1 3.44Å; F304-Y326 VanDerWaalsContact CE1-CE1 3.44Å; F304-Y326 HydrophobicContact CZ-CD1 4.22Å; F304-Y326 AromaticContact CZ-CE1 3.92Å; F304-Y326 HydrophobicContact CZ-CE1 3.92Å; F304-N328 HydrophobicContact CD1-CB 4.35Å
305	L	98.5	Very high	97.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.198	C	C	.	.			trans	-131.1	7.9	-177.2	-88.7	170.6	0	0	0	112.3	L281 L286 I289 F303 N308 L327 N328 L329 S332	L281-L305 HydrophobicContact CB-CD2 4.03Å; L281-L305 HydrophobicContact CD1-CD2 4.33Å; L286-L305 HydrophobicContact CD2-CD2 3.84Å; I289-L305 HydrophobicContact CD1-CD1 4.39Å; I289-L305 HydrophobicContact CD1-CD2 4.32Å; F303-L305 HydrophobicContact CD1-CD1 4.08Å; F303-L305 HydrophobicContact CD2-CG 4.34Å; F303-L305 HydrophobicContact CE1-CD1 3.57Å; F303-L305 HydrophobicContact CE1-CG 4.23Å; F303-L305 HydrophobicContact CE2-CD1 4.17Å; F303-L305 HydrophobicContact CE2-CD2 4.35Å; F303-L305 HydrophobicContact CE2-CG 3.9Å; F303-L305 HydrophobicContact CZ-CD1 3.63Å; F303-L305 HydrophobicContact CZ-CD2 4.21Å; F303-L305 HydrophobicContact CZ-CG 3.84Å; L305-N308 PolarHBondContact O-ND2 3.01Å; L305-L327 HydrophobicContact CD1-CD1 4.25Å; L305-N328 WeakPolarHBondContact CB-O 3.4Å; L305-N328 PolarHBondContact N-O 2.91Å; L305-N328 VanDerWaalsContact N-O 3.07Å; L305-L329 HydrophobicContact CB-CD2 3.84Å; L305-L329 HydrophobicContact CD1-CD2 3.94Å; L305-S332 WeakPolarHBondContact O-CB 3.49Å; L305-S332 PolarHBondContact O-OG 3.07Å
306	E	98.1	Very high	97.6	Very high	30 Å²	30	43.1 Å²	43.1	14%	0.14	20%	0.202	C	C	.	.			trans	-62.5	156.8	-174.5	59.1	-95.5	-128	0	0	114.5	S282 H283 F304 N308 N328 K330 S332	S282-E306 CarbonylContact C-O 3.32Å; S282-E306 WeakPolarHBondContact CA-O 3.25Å; S282-E306 WeakPolarHBondContact CB-O 3.43Å; H283-E306 PolarHBondContact N-O 2.92Å; F304-E306 VanDerWaalsContact CA-OE2 3.24Å; F304-E306 WeakPolarHBondContact CA-OE2 3.37Å; F304-E306 VanDerWaalsContact CB-OE2 3.25Å; F304-E306 WeakPolarHBondContact CB-OE2 3.49Å; F304-E306 WeakPolarHBondContact CD1-OE1 3.1Å; E306-N308 PolarHBondContact O-N 3.05Å; E306-N328 PolarHBondContact OE1-ND2 2.81Å; E306-N328 WeakPolarHBondContact OE2-CB 3.49Å; E306-N328 PolarHBondContact OE2-ND2 3.14Å; E306-K330 CarbonylContact C-O 3.6Å; E306-K330 WeakPolarHBondContact CA-O 3.46Å; E306-K330 HydrophobicContact CB-CB 4.14Å; E306-K330 WeakPolarHBondContact CB-O 3.31Å; E306-S332 WeakPolarHBondContact CA-OG 3.34Å
307	Y	98	Very high	97.6	Very high	97 Å²	97	40.2 Å²	40.2	38%	0.38	19%	0.191	S	C	.	.	S	Bend	trans	54.7	45.3	179.2	-61.6	-97.6	0	0	0	113.9	H283 K330 R331	H283-Y307 VanDerWaalsContact CA-O 3.3Å; H283-Y307 WeakPolarHBondContact CA-O 3.4Å; H283-Y307 WeakPolarHBondContact CE1-CB 3.5Å; H283-Y307 AromaticContact CE1-CD1 3.74Å; H283-Y307 AromaticContact CE1-CD2 3.61Å; H283-Y307 AromaticContact CE1-CG 3.3Å; H283-Y307 VanDerWaalsContact ND1-CB 3.34Å; H283-Y307 WeakPolarHBondContact ND1-CB 3.47Å; H283-Y307 AromaticContact ND1-CG 3.81Å; H283-Y307 AromaticContact NE2-CD2 3.63Å; H283-Y307 AromaticContact NE2-CG 3.8Å; Y307-K330 PolarHBondContact N-O 3.26Å; Y307-R331 CarbonylContact C-O 3.55Å; Y307-R331 VanDerWaalsContact CA-O 3.22Å; Y307-R331 WeakPolarHBondContact CA-O 3.33Å; Y307-R331 HydrophobicContact CD1-CB 4.27Å; Y307-R331 HydrophobicContact CG-CB 4.41Å; Y307-R331 PolarHBondContact N-O 3.23Å
308	N	98.1	Very high	97.6	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.053	19%	0.19	C	C	.	.			trans	-109.1	-169.5	174.9	-84.8	-56.2	0	0	0	111.2	L281 N284 N285 L286 L305 E306 I310 R331 S332	L281-N308 PolarHBondContact O-ND2 3.23Å; N284-N308 WeakPolarHBondContact CA-OD1 3.49Å; N284-N308 WeakPolarHBondContact CB-OD1 3.14Å; N284-N308 PolarHBondContact N-OD1 3Å; N285-N308 PolarHBondContact N-OD1 2.78Å; N285-N308 VanDerWaalsContact N-OD1 3.1Å; L286-N308 HydrophobicContact CB-CB 4.09Å; L286-N308 VanDerWaalsContact CB-OD1 3.26Å; L286-N308 WeakPolarHBondContact CB-OD1 3.24Å; L286-N308 PolarHBondContact N-OD1 3.21Å; L305-N308 PolarHBondContact O-ND2 3.01Å; E306-N308 PolarHBondContact O-N 3.05Å; N308-I310 HydrophobicContact CB-CG1 4.43Å; N308-R331 PolarHBondContact N-O 3.03Å; N308-R331 VanDerWaalsContact O-O 3.11Å; N308-S332 CarbonylContact C-O 3.54Å
309	N	96.1	Very high	97.6	Very high	49 Å²	49	40.7 Å²	40.7	26%	0.262	19%	0.189	S	C	.	.			trans	-137.2	41.7	-176.4	-161	93.5	0	0	0	111.5	L286 N287 Q311 S332 T334	L286-N309 CarbonylContact O-C 3.47Å; L286-N309 WeakPolarHBondContact O-CA 3.49Å; L286-N309 PolarHBondContact O-N 2.7Å; N287-N309 WeakPolarHBondContact CA-O 3.25Å; N309-Q311 PolarHBondContact O-N 3Å; N309-S332 PolarHBondContact N-O 3.49Å; N309-T334 WeakPolarHBondContact ND2-CB 3.33Å; N309-T334 PolarHBondContact ND2-OG1 3.15Å
310	I	97.1	Very high	97.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-63.7	120.8	-173.3	-60.5	164.3	0	0	0	109.2	L286 N287 I289 N308 S332 F333 T334	L286-I310 WeakPolarHBondContact O-CG1 3.36Å; L286-I310 PolarHBondContact O-N 3.4Å; N287-I310 WeakPolarHBondContact O-CA 3.39Å; I289-I310 HydrophobicContact CD1-CD1 3.61Å; I289-I310 HydrophobicContact CD1-CG1 4.23Å; I289-I310 HydrophobicContact CG1-CD1 4.34Å; I289-I310 HydrophobicContact CG1-CG1 4.44Å; N308-I310 HydrophobicContact CB-CG1 4.43Å; I310-S332 WeakPolarHBondContact CB-O 3.2Å; I310-S332 VanDerWaalsContact CG1-O 3.3Å; I310-S332 WeakPolarHBondContact CG1-O 3.18Å; I310-S332 PolarHBondContact N-O 3.03Å; I310-F333 HydrophobicContact CB-CD1 3.92Å; I310-F333 HydrophobicContact CB-CE1 4.26Å; I310-F333 HydrophobicContact CG2-CD1 4.05Å; I310-F333 HydrophobicContact CG2-CE1 4.03Å; I310-F333 CarbonylContact O-C 3.24Å; I310-F333 WeakPolarHBondContact O-CA 3.4Å; I310-T334 PolarHBondContact O-N 3.26Å
311	Q	93.9	Very high	97.5	Very high	94 Å²	94	37.1 Å²	37.1	44%	0.439	18%	0.175	S	C	.	.	S	Bend	trans	-83	-40.8	-179.1	-65.2	-170.3	-10.6	0	0	112.2	N287 N309 T334 P344 K345	N287-Q311 PolarHBondContact ND2-NE2 3.41Å; N287-Q311 VanDerWaalsContact ND2-NE2 3.13Å; N287-Q311 PolarHBondContact O-N 3.24Å; N309-Q311 PolarHBondContact O-N 3Å; Q311-T334 HydrophobicContact CB-CG2 4.43Å; Q311-T334 HydrophobicContact CG-CG2 4.09Å; Q311-P344 WeakPolarHBondContact O-CA 3.15Å; Q311-K345 PolarHBondContact O-N 3.21Å
312	H	95.6	Very high	97.4	Very high	63 Å²	63	38.5 Å²	38.5	29%	0.292	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	120.8	-178	-174	-170.9	0	0	0	110.1	L314 K345 D347	H312-L314 WeakPolarHBondContact CE1-CD2 3.15Å; H312-K345 CarbonylContact C-O 3.59Å; H312-K345 VanDerWaalsContact CA-O 3.27Å; H312-K345 WeakPolarHBondContact CA-O 3.41Å; H312-K345 HydrophobicContact CB-CB 4.38Å; H312-K345 PolarHBondContact CE1-NZ 2.93Å; H312-K345 VanDerWaalsContact CE1-NZ 3.34Å; H312-K345 PolarHBondContact NE2-NZ 3.47Å; H312-D347 IonicContact CD2-OD2 2.74Å; H312-D347 IonicContact CE1-OD2 3.77Å; H312-D347 PolarHBondContact CE1-OD2 2.72Å; H312-D347 VanDerWaalsContact NE2-CG 3.27Å; H312-D347 IonicContact NE2-OD1 2.84Å; H312-D347 PolarHBondContact NE2-OD1 3.2Å; H312-D347 IonicContact NE2-OD2 3.19Å; H312-D347 PolarHBondContact NE2-OD2 3.28Å
313	L	97.7	Very high	97.4	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.2	168.3	-169	71.2	0	0	0	109.5	I289 L318 F333 K345 I346 D347 S350 F351	I289-L313 HydrophobicContact CD1-CD1 4.44Å; L313-L318 HydrophobicContact CD1-CG 4.28Å; L313-L318 HydrophobicContact CD2-CD1 4.19Å; L313-F333 HydrophobicContact CB-CE1 4.12Å; L313-F333 HydrophobicContact CD2-CZ 4.38Å; L313-K345 PolarHBondContact N-O 3.04Å; L313-I346 HydrophobicContact CB-CG1 4.29Å; L313-I346 HydrophobicContact CD2-CG2 4.3Å; L313-D347 PolarHBondContact O-N 2.99Å; L313-D347 VanDerWaalsContact O-N 3.09Å; L313-S350 PolarHBondContact O-OG 3.09Å; L313-F351 HydrophobicContact CD2-CE1 4.21Å; L313-F351 HydrophobicContact CD2-CZ 4.1Å
314	L	97.3	Very high	97.4	Very high	49 Å²	49	36.1 Å²	36.1	26%	0.257	18%	0.175	S	C	.	.			trans	-89.8	161.8	-178.1	-57.9	164.8	0	0	0	110.5	N291 H312 H316 S317 S350	N291-L314 WeakPolarHBondContact OD1-CB 3.4Å; N291-L314 VanDerWaalsContact OD1-CD1 3.3Å; N291-L314 WeakPolarHBondContact OD1-CD1 3.18Å; H312-L314 WeakPolarHBondContact CE1-CD2 3.15Å; L314-H316 PolarHBondContact O-N 3.22Å; L314-H316 VanDerWaalsContact O-N 3.11Å; L314-S317 WeakPolarHBondContact CB-OG 3.4Å; L314-S317 PolarHBondContact N-OG 2.92Å; L314-S317 PolarHBondContact O-N 3.49Å; L314-S350 VanDerWaalsContact C-OG 3.24Å; L314-S350 PolarHBondContact O-OG 3.37Å
315	S	96.4	Very high	97.4	Very high	39 Å²	39	38.8 Å²	38.8	27%	0.273	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.4	179.1	63.3	0	0	0	0	114.3	W353	S315-W353 PolarHBondContact O-NE1 3.29Å
316	H	97.1	Very high	97.4	Very high	67 Å²	67	41.6 Å²	41.6	31%	0.31	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	6.5	178.4	-70	62.6	0	0	0	113.3	N291 D292 L314 L318 H319 W353	N291-H316 HydrophobicContact CB-CB 3.95Å; D292-H316 PolarHBondContact N-O 2.66Å; L314-H316 PolarHBondContact O-N 3.22Å; L314-H316 VanDerWaalsContact O-N 3.11Å; H316-L318 PolarHBondContact O-N 3.06Å; H316-H319 HydrophobicContact CB-CB 4.36Å; H316-H319 PolarHBondContact O-N 2.62Å; H316-W353 AromaticContact NE2-CZ2 3.89Å
317	S	97.8	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.5	175.3	-68.7	0	0	0	0	112.8	I289 F294 L314	I289-S317 PolarHBondContact O-OG 3.47Å; F294-S317 VanDerWaalsContact CD2-O 3.25Å; F294-S317 WeakPolarHBondContact CD2-O 3.12Å; L314-S317 WeakPolarHBondContact CB-OG 3.4Å; L314-S317 PolarHBondContact N-OG 2.92Å; L314-S317 PolarHBondContact O-N 3.49Å
318	L	98.1	Very high	97.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	17.5	-179.2	-56.1	179.9	0	0	0	113.3	F294 F303 L313 H316 L321 L327 F351 L354	F294-L318 HydrophobicContact CD2-CD2 4.09Å; F294-L318 HydrophobicContact CE2-CD2 4.07Å; F303-L318 HydrophobicContact CE1-CD2 4.38Å; L313-L318 HydrophobicContact CD1-CG 4.28Å; L313-L318 HydrophobicContact CD2-CD1 4.19Å; H316-L318 PolarHBondContact O-N 3.06Å; L318-L321 HydrophobicContact CB-CD1 4.26Å; L318-L321 HydrophobicContact CD2-CD1 4.09Å; L318-L321 PolarHBondContact O-N 2.82Å; L318-L327 HydrophobicContact CD1-CD2 4.35Å; L318-F351 HydrophobicContact CD1-CD1 3.73Å; L318-F351 HydrophobicContact CD1-CE1 3.71Å; L318-L354 HydrophobicContact CB-CD1 3.98Å; L318-L354 HydrophobicContact CD1-CD1 4.06Å
319	H	98.1	Very high	97.5	Very high	53 Å²	53	35.8 Å²	35.8	25%	0.245	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	138.2	180	175.3	-132.3	0	0	0	111.7	D292 V295 H316 W353	D292-H319 IonicContact OD1-CE1 3.94Å; D292-H319 IonicContact OD1-CG 2.71Å; D292-H319 IonicContact OD1-ND1 3.2Å; D292-H319 PolarHBondContact OD1-ND1 3.07Å; V295-H319 WeakPolarHBondContact CA-O 3.12Å; V295-H319 PolarHBondContact N-O 3.15Å; H316-H319 HydrophobicContact CB-CB 4.36Å; H316-H319 PolarHBondContact O-N 2.62Å; H319-W353 HydrophobicContact CB-CD2 4.44Å; H319-W353 HydrophobicContact CB-CG 4.39Å; H319-W353 AromaticContact CD2-CD2 3.65Å; H319-W353 AromaticContact CD2-CE2 3.77Å; H319-W353 AromaticContact CD2-CE3 3.69Å; H319-W353 AromaticContact CD2-CH2 3.94Å; H319-W353 AromaticContact CD2-CZ2 3.92Å; H319-W353 AromaticContact CD2-CZ3 3.84Å
320	G	95.7	Very high	97.6	Very high	9 Å²	9	36 Å²	36	9%	0.093	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-9	-178.2	0	0	0	0	0	115.9	F322	G320-F322 WeakPolarHBondContact O-CD1 3.45Å; G320-F322 WeakPolarHBondContact O-CE1 3.4Å; G320-F322 PolarHBondContact O-N 3.07Å
321	L	98.2	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.			trans	-82.9	42.3	-176.5	-68.9	-179.3	0	0	0	114.5	F294 L297 L300 F303 L318 N323 V324 L354	F294-L321 HydrophobicContact CB-CD1 3.85Å; F294-L321 HydrophobicContact CB-CD2 3.79Å; F294-L321 HydrophobicContact CB-CG 3.81Å; F294-L321 HydrophobicContact CD2-CD1 3.93Å; F294-L321 HydrophobicContact CG-CD1 4.14Å; L297-L321 HydrophobicContact CB-CD2 4.09Å; L300-L321 HydrophobicContact CB-CD2 4.19Å; L300-L321 HydrophobicContact CD2-CD2 3.69Å; F303-L321 HydrophobicContact CD1-CD1 3.74Å; F303-L321 HydrophobicContact CE1-CD1 3.6Å; L318-L321 HydrophobicContact CB-CD1 4.26Å; L318-L321 HydrophobicContact CD2-CD1 4.09Å; L318-L321 PolarHBondContact O-N 2.82Å; L321-N323 PolarHBondContact O-N 2.71Å; L321-V324 HydrophobicContact CB-CG2 3.82Å; L321-V324 HydrophobicContact CD2-CG2 3.99Å; L321-V324 HydrophobicContact CG-CG2 4.35Å; L321-V324 PolarHBondContact O-N 3.17Å; L321-L354 HydrophobicContact CB-CG 4.27Å
322	F	97.4	Very high	97.8	Very high	91 Å²	91	35.4 Å²	35.4	40%	0.399	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.2	-169.5	51.4	-100.4	0	0	0	115.6	P298 G320 W353 T355 C356	P298-F322 HydrophobicContact CB-CE1 3.9Å; P298-F322 HydrophobicContact CB-CE2 4.23Å; P298-F322 HydrophobicContact CB-CZ 3.43Å; P298-F322 VanDerWaalsContact CB-CZ 3.43Å; G320-F322 WeakPolarHBondContact O-CD1 3.45Å; G320-F322 WeakPolarHBondContact O-CE1 3.4Å; G320-F322 PolarHBondContact O-N 3.07Å; F322-W353 WeakPolarHBondContact CA-O 3.25Å; F322-T355 PolarHBondContact O-OG1 3.32Å; F322-C356 VanDerWaalsContact O-CB 3.25Å; F322-C356 WeakPolarHBondContact O-CB 3.16Å; F322-C356 PolarHBondContact O-N 2.96Å; F322-C356 VanDerWaalsContact O-N 3.09Å; F322-C356 PolarHBondContact O-SG 3.01Å; F322-C356 VanDerWaalsContact O-SG 3.36Å
323	N	98.4	Very high	97.9	Very high	54 Å²	54	32.6 Å²	32.6	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.3	176.7	-87.2	-45.2	0	0	0	114.5	P298 L300 L321 R325	P298-N323 PolarHBondContact O-ND2 3.44Å; L300-N323 CarbonylContact O-C 3.59Å; L321-N323 PolarHBondContact O-N 2.71Å; N323-R325 PolarHBondContact O-N 2.84Å; N323-R325 VanDerWaalsContact O-N 3.15Å
324	V	98.8	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.			trans	-66.6	118	-176.3	175	0	0	0	0	109.6	L300 F303 L321 Y326 L327 L354 C356 L357	L300-V324 HydrophobicContact CB-CG2 3.96Å; L300-V324 HydrophobicContact CD2-CG2 3.98Å; L300-V324 HydrophobicContact CG-CG2 4.07Å; L300-V324 VanDerWaalsContact O-CA 3.25Å; L300-V324 WeakPolarHBondContact O-CA 3.26Å; L300-V324 VanDerWaalsContact O-CG2 3.31Å; L300-V324 WeakPolarHBondContact O-CG2 3.32Å; L300-V324 PolarHBondContact O-N 2.93Å; F303-V324 HydrophobicContact CB-CG1 4.23Å; L321-V324 HydrophobicContact CB-CG2 3.82Å; L321-V324 HydrophobicContact CD2-CG2 3.99Å; L321-V324 HydrophobicContact CG-CG2 4.35Å; L321-V324 PolarHBondContact O-N 3.17Å; V324-Y326 WeakPolarHBondContact CG1-O 3.39Å; V324-L327 HydrophobicContact CG1-CB 4.32Å; V324-L354 HydrophobicContact CB-CD2 4.25Å; V324-L354 HydrophobicContact CG1-CD2 4.24Å; V324-C356 CarbonylContact O-C 3.48Å; V324-C356 VanDerWaalsContact O-C 3.29Å; V324-L357 HydrophobicContact CG1-CD1 4.1Å; V324-L357 WeakPolarHBondContact O-CA 3.25Å; V324-L357 PolarHBondContact O-N 3.14Å; V324-L357 VanDerWaalsContact O-N 3.08Å
325	R	98.8	Very high	97.1	Very high	105 Å²	105	36 Å²	36	40%	0.396	16%	0.164	S	C	.	.			trans	-93.9	-31.9	177.8	-61.9	178.8	-174.5	-100.7	2.4	112.7	E301 N323 C356 E358 H359	E301-R325 PolarHBondContact O-N 3.16Å; E301-R325 IonicContact OE1-NE 3.89Å; N323-R325 PolarHBondContact O-N 2.84Å; N323-R325 VanDerWaalsContact O-N 3.15Å; R325-C356 WeakPolarHBondContact CA-O 3.5Å; R325-E358 HydrophobicContact CB-CG 4.39Å; R325-E358 WeakPolarHBondContact CD-OE1 3.3Å; R325-E358 IonicContact CZ-OE1 3.9Å; R325-E358 IonicContact NH1-OE1 2.7Å; R325-E358 PolarHBondContact NH1-OE1 3.5Å; R325-E358 PolarHBondContact O-N 3.17Å; R325-H359 PolarHBondContact O-N 3.31Å
326	Y	98.9	Very high	96.1	Very high	59 Å²	59	39.4 Å²	39.4	23%	0.231	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.7	-178.1	179.1	-83.6	0	0	0	110.2	E301 Y302 F303 F304 V324 N328 H359	E301-Y326 PolarHBondContact O-N 3.11Å; Y302-Y326 HydrophobicContact CD1-CG 4.3Å; F303-Y326 PolarHBondContact N-O 2.92Å; F304-Y326 AromaticContact CD1-CE1 3.96Å; F304-Y326 HydrophobicContact CD1-CE1 3.96Å; F304-Y326 HydrophobicContact CE1-CD1 4.17Å; F304-Y326 AromaticContact CE1-CE1 3.44Å; F304-Y326 HydrophobicContact CE1-CE1 3.44Å; F304-Y326 VanDerWaalsContact CE1-CE1 3.44Å; F304-Y326 HydrophobicContact CZ-CD1 4.22Å; F304-Y326 AromaticContact CZ-CE1 3.92Å; F304-Y326 HydrophobicContact CZ-CE1 3.92Å; V324-Y326 WeakPolarHBondContact CG1-O 3.39Å; Y326-N328 HydrophobicContact CE1-CB 3.83Å; Y326-H359 HydrophobicContact CD2-CB 4.15Å; Y326-H359 AromaticContact CD2-CE1 3.95Å; Y326-H359 AromaticContact CD2-CG 3.83Å; Y326-H359 AromaticContact CD2-ND1 3.4Å; Y326-H359 WeakPolarHBondContact CD2-ND1 3.15Å; Y326-H359 AromaticContact CE2-CE1 3.39Å; Y326-H359 WeakPolarHBondContact CE2-CE1 3.38Å; Y326-H359 AromaticContact CE2-ND1 3.31Å; Y326-H359 VanDerWaalsContact CE2-ND1 3.31Å; Y326-H359 WeakPolarHBondContact CE2-ND1 3.5Å
327	L	98.9	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.3	174.3	175.4	59.1	0	0	0	110.3	F303 L305 L318 V324 L329 F351 L354 L357 H359 L360 N361	F303-L327 HydrophobicContact CB-CD1 4.1Å; F303-L327 HydrophobicContact CD1-CD1 3.94Å; F303-L327 HydrophobicContact CG-CD1 4.22Å; L305-L327 HydrophobicContact CD1-CD1 4.25Å; L318-L327 HydrophobicContact CD1-CD2 4.35Å; V324-L327 HydrophobicContact CG1-CB 4.32Å; L327-L329 HydrophobicContact CD1-CD2 4.38Å; L327-L329 HydrophobicContact CD1-CG 4.22Å; L327-L329 HydrophobicContact CD2-CD1 4.03Å; L327-L329 HydrophobicContact CD2-CG 4.26Å; L327-L329 HydrophobicContact CG-CD1 4.35Å; L327-L329 HydrophobicContact CG-CG 4.06Å; L327-F351 HydrophobicContact CD2-CD1 4.42Å; L327-F351 HydrophobicContact CD2-CE1 4.06Å; L327-L354 HydrophobicContact CD2-CD2 3.77Å; L327-L357 HydrophobicContact CB-CD1 3.69Å; L327-H359 PolarHBondContact N-O 2.02Å; L327-H359 VanDerWaalsContact N-O 3.1Å; L327-L360 HydrophobicContact CB-CD1 4.06Å; L327-L360 HydrophobicContact CD2-CD1 3.93Å; L327-L360 HydrophobicContact CG-CD1 3.94Å; L327-N361 PolarHBondContact O-N 2.96Å; L327-N361 VanDerWaalsContact O-N 3.09Å
328	N	98.8	Very high	93.1	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.1	173.4	-168.5	6.3	0	0	0	111.4	F303 F304 L305 E306 Y326 K330	F303-N328 PolarHBondContact O-N 3.26Å; F304-N328 HydrophobicContact CD1-CB 4.35Å; L305-N328 WeakPolarHBondContact CB-O 3.4Å; L305-N328 PolarHBondContact N-O 2.91Å; L305-N328 VanDerWaalsContact N-O 3.07Å; E306-N328 PolarHBondContact OE1-ND2 2.81Å; E306-N328 WeakPolarHBondContact OE2-CB 3.49Å; E306-N328 PolarHBondContact OE2-ND2 3.14Å; Y326-N328 HydrophobicContact CE1-CB 3.83Å; N328-K330 WeakPolarHBondContact OD1-CB 3.45Å; N328-K330 PolarHBondContact OD1-N 2.86Å
329	L	98.6	Very high	91.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.252	C	S	.	.			trans	-113.6	21	174.5	-68.6	173.9	0	0	0	113	L305 L327 R331 S332 F333 F351 L360 N361 M362 N365	L305-L329 HydrophobicContact CB-CD2 3.84Å; L305-L329 HydrophobicContact CD1-CD2 3.94Å; L327-L329 HydrophobicContact CD1-CD2 4.38Å; L327-L329 HydrophobicContact CD1-CG 4.22Å; L327-L329 HydrophobicContact CD2-CD1 4.03Å; L327-L329 HydrophobicContact CD2-CG 4.26Å; L327-L329 HydrophobicContact CG-CD1 4.35Å; L327-L329 HydrophobicContact CG-CG 4.06Å; L329-R331 PolarHBondContact O-N 2.8Å; L329-S332 WeakPolarHBondContact CA-OG 3.42Å; L329-S332 WeakPolarHBondContact O-CB 3.39Å; L329-S332 PolarHBondContact O-N 2.99Å; L329-S332 VanDerWaalsContact O-N 3.17Å; L329-S332 PolarHBondContact O-OG 2.84Å; L329-F333 HydrophobicContact CB-CE2 4.26Å; L329-F333 HydrophobicContact CD1-CE2 4.26Å; L329-F333 HydrophobicContact CD1-CZ 4.28Å; L329-F351 HydrophobicContact CD1-CE1 3.71Å; L329-F351 HydrophobicContact CD1-CZ 3.68Å; L329-L360 HydrophobicContact CD1-CD1 4.4Å; L329-N361 WeakPolarHBondContact CA-O 3.35Å; L329-N361 WeakPolarHBondContact CB-O 3.36Å; L329-N361 PolarHBondContact N-O 2.66Å; L329-M362 HydrophobicContact CB-CG 4.27Å; L329-M362 HydrophobicContact CD1-CE 4.23Å; L329-M362 HydrophobicContact CD1-CG 4.44Å; L329-N365 PolarHBondContact O-ND2 3.4Å
330	K	98.6	Very high	89.5	Confident	52 Å²	52	55.4 Å²	55.4	23%	0.226	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	120.6	179.7	-179.4	161.7	-173	158.8	0	111.7	E306 Y307 N328 S332 E363	E306-K330 CarbonylContact C-O 3.6Å; E306-K330 WeakPolarHBondContact CA-O 3.46Å; E306-K330 HydrophobicContact CB-CB 4.14Å; E306-K330 WeakPolarHBondContact CB-O 3.31Å; Y307-K330 PolarHBondContact N-O 3.26Å; N328-K330 WeakPolarHBondContact OD1-CB 3.45Å; N328-K330 PolarHBondContact OD1-N 2.86Å; K330-S332 PolarHBondContact O-N 3.39Å; K330-E363 CarbonylContact C-O 3.49Å; K330-E363 VanDerWaalsContact CA-O 3.29Å; K330-E363 WeakPolarHBondContact CA-O 3.42Å; K330-E363 HydrophobicContact CB-CB 4.49Å; K330-E363 HydrophobicContact CD-CB 4.03Å; K330-E363 WeakPolarHBondContact CE-OE2 3.16Å; K330-E363 HydrophobicContact CG-CB 4.01Å; K330-E363 IonicContact NZ-OE2 2.83Å; K330-E363 PolarHBondContact NZ-OE2 3.38Å
331	R	97.4	Very high	87.8	Confident	84 Å²	84	58.8 Å²	58.8	32%	0.317	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	31.1	-174.7	-60.1	172.6	177.7	-141.5	-2	113.4	Y307 N308 L329 E363 D364 N365	Y307-R331 CarbonylContact C-O 3.55Å; Y307-R331 VanDerWaalsContact CA-O 3.22Å; Y307-R331 WeakPolarHBondContact CA-O 3.33Å; Y307-R331 HydrophobicContact CD1-CB 4.27Å; Y307-R331 HydrophobicContact CG-CB 4.41Å; Y307-R331 PolarHBondContact N-O 3.23Å; N308-R331 PolarHBondContact N-O 3.03Å; N308-R331 VanDerWaalsContact O-O 3.11Å; L329-R331 PolarHBondContact O-N 2.8Å; R331-E363 PolarHBondContact N-O 3.43Å; R331-D364 HydrophobicContact CG-CB 3.39Å; R331-D364 VanDerWaalsContact CG-O 3.25Å; R331-D364 WeakPolarHBondContact CG-O 3.32Å; R331-D364 IonicContact CZ-OD2 3.97Å; R331-D364 IonicContact NE-OD2 2.75Å; R331-D364 PolarHBondContact NE-OD2 2.99Å; R331-D364 IonicContact NH2-OD1 3.56Å; R331-D364 IonicContact NH2-OD2 2.83Å; R331-D364 PolarHBondContact NH2-OD2 2.99Å; R331-N365 WeakPolarHBondContact CA-OD1 3.36Å; R331-N365 PolarHBondContact N-OD1 2.86Å
332	S	98	Very high	86.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.			trans	-81.2	-21	-179.3	-63.2	0	0	0	0	113.6	L305 E306 N308 N309 I310 L329 K330 N365	L305-S332 WeakPolarHBondContact O-CB 3.49Å; L305-S332 PolarHBondContact O-OG 3.07Å; E306-S332 WeakPolarHBondContact CA-OG 3.34Å; N308-S332 CarbonylContact C-O 3.54Å; N309-S332 PolarHBondContact N-O 3.49Å; I310-S332 WeakPolarHBondContact CB-O 3.2Å; I310-S332 VanDerWaalsContact CG1-O 3.3Å; I310-S332 WeakPolarHBondContact CG1-O 3.18Å; I310-S332 PolarHBondContact N-O 3.03Å; L329-S332 WeakPolarHBondContact CA-OG 3.42Å; L329-S332 WeakPolarHBondContact O-CB 3.39Å; L329-S332 PolarHBondContact O-N 2.99Å; L329-S332 VanDerWaalsContact O-N 3.17Å; L329-S332 PolarHBondContact O-OG 2.84Å; K330-S332 PolarHBondContact O-N 3.39Å; S332-N365 PolarHBondContact N-OD1 3.02Å; S332-N365 VanDerWaalsContact N-OD1 3.14Å
333	F	96.6	Very high	86.2	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.018	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-95.9	153.8	-173.7	-66.3	-74.2	0	0	0	112.2	I310 L313 L329 K335 P344 I346 M362 N365 I367	I310-F333 HydrophobicContact CB-CD1 3.92Å; I310-F333 HydrophobicContact CB-CE1 4.26Å; I310-F333 HydrophobicContact CG2-CD1 4.05Å; I310-F333 HydrophobicContact CG2-CE1 4.03Å; I310-F333 CarbonylContact O-C 3.24Å; I310-F333 WeakPolarHBondContact O-CA 3.4Å; L313-F333 HydrophobicContact CB-CE1 4.12Å; L313-F333 HydrophobicContact CD2-CZ 4.38Å; L329-F333 HydrophobicContact CB-CE2 4.26Å; L329-F333 HydrophobicContact CD1-CE2 4.26Å; L329-F333 HydrophobicContact CD1-CZ 4.28Å; F333-K335 PolarHBondContact O-N 2.95Å; F333-P344 HydrophobicContact CB-CB 3.66Å; F333-P344 HydrophobicContact CB-CG 3.92Å; F333-P344 HydrophobicContact CD1-CB 4.16Å; F333-P344 HydrophobicContact CG-CB 4.21Å; F333-I346 HydrophobicContact CE1-CD1 4.01Å; F333-I346 HydrophobicContact CE1-CG1 3.86Å; F333-I346 HydrophobicContact CE2-CD1 3.94Å; F333-I346 HydrophobicContact CZ-CD1 3.58Å; F333-I346 HydrophobicContact CZ-CG1 3.93Å; F333-M362 HydrophobicContact CE2-CE 4.02Å; F333-N365 HydrophobicContact CD2-CB 4.28Å; F333-N365 WeakPolarHBondContact CD2-OD1 3.29Å; F333-N365 PolarHBondContact N-OD1 3.2Å; F333-N365 VanDerWaalsContact N-OD1 3.14Å; F333-I367 HydrophobicContact CD2-CD1 4.31Å; F333-I367 HydrophobicContact CE2-CD1 4.41Å
334	T	93.1	Very high	85.9	Confident	11 Å²	11	57.4 Å²	57.4	7%	0.067	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-57.3	137.1	177.7	-168.8	0	0	0	0	110.6	N309 I310 Q311 P344	N309-T334 WeakPolarHBondContact ND2-CB 3.33Å; N309-T334 PolarHBondContact ND2-OG1 3.15Å; I310-T334 PolarHBondContact O-N 3.26Å; Q311-T334 HydrophobicContact CB-CG2 4.43Å; Q311-T334 HydrophobicContact CG-CG2 4.09Å; T334-P344 HydrophobicContact CG2-CB 4.02Å; T334-P344 WeakPolarHBondContact O-CD 3.4Å
335	K	85.6	Confident	85.7	Confident	111 Å²	111	62 Å²	62	48%	0.483	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-76.6	154.7	175.8	-68.1	-157.5	167.8	-146.6	0	112.4	F333 S337 D366	F333-K335 PolarHBondContact O-N 2.95Å; K335-S337 PolarHBondContact O-N 3.15Å; K335-D366 WeakPolarHBondContact CA-OD2 3.45Å; K335-D366 WeakPolarHBondContact CB-OD2 3.49Å
336	Q	74.7	Confident	85.6	Confident	111 Å²	111	57.5 Å²	57.5	52%	0.519	31%	0.305	S	S	.	.			trans	-61.9	103.7	175.5	-173.3	-180	20.3	0	0	110.6	I338 L343 D366	Q336-I338 PolarHBondContact O-N 2.89Å; Q336-L343 HydrophobicContact CB-CD2 3.89Å; Q336-L343 HydrophobicContact CG-CD2 3.76Å; Q336-D366 HydrophobicContact CB-CB 4.37Å; Q336-D366 PolarHBondContact N-OD2 2.66Å
337	S	66.9	Low	85.5	Confident	43 Å²	43	56.3 Å²	56.3	30%	0.301	30%	0.302	S	S	.	.			trans	-75.9	119.2	173.5	-176.1	0	0	0	0	111	K335 S339 L340 A341	K335-S337 PolarHBondContact O-N 3.15Å; S337-S339 PolarHBondContact O-N 2.86Å; S337-S339 VanDerWaalsContact O-N 3.11Å; S337-S339 PolarHBondContact OG-N 3.33Å; S337-S339 PolarHBondContact OG-OG 2.77Å; S337-L340 PolarHBondContact O-N 2.74Å; S337-A341 PolarHBondContact O-N 2.91Å
338	I	65	Low	85.5	Confident	181 Å²	181	58.6 Å²	58.6	93%	0.928	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.3	176.6	-59.5	171.8	0	0	0	111.8	Q336	Q336-I338 PolarHBondContact O-N 2.89Å
339	S	60.7	Low	85.5	Confident	98 Å²	98	61.7 Å²	61.7	69%	0.685	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.9	-176.6	59.4	0	0	0	0	115.6	S337	S337-S339 PolarHBondContact O-N 2.86Å; S337-S339 VanDerWaalsContact O-N 3.11Å; S337-S339 PolarHBondContact OG-N 3.33Å; S337-S339 PolarHBondContact OG-OG 2.77Å
340	L	59.8	Low	85.4	Confident	135 Å²	135	61.6 Å²	61.6	71%	0.707	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	-4.8	-167.3	-76.3	171.7	0	0	0	115.5	S337 S342	S337-L340 PolarHBondContact O-N 2.74Å; L340-S342 PolarHBondContact O-N 2.84Å
341	A	61.1	Low	85.4	Confident	80 Å²	80	59.1 Å²	59.1	66%	0.661	32%	0.316	S	S	*	.			trans	54.9	17.4	176.9	0	0	0	0	0	115.8	S337 L343	S337-A341 PolarHBondContact O-N 2.91Å; A341-L343 PolarHBondContact O-N 3.3Å
342	S	75.1	Confident	85.5	Confident	49 Å²	49	58.1 Å²	58.1	34%	0.343	32%	0.315	S	S	.	.			trans	-75.1	93.5	178.2	58.1	0	0	0	0	110.8	L340	L340-S342 PolarHBondContact O-N 2.84Å
343	L	85.9	Confident	85.5	Confident	63 Å²	63	61.5 Å²	61.5	33%	0.33	33%	0.328	S	S	.	.			trans	-78.9	148.6	166.9	-66.5	178	0	0	0	110.7	Q336 A341 D366 T391	Q336-L343 HydrophobicContact CB-CD2 3.89Å; Q336-L343 HydrophobicContact CG-CD2 3.76Å; A341-L343 PolarHBondContact O-N 3.3Å; L343-D366 HydrophobicContact CD2-CB 4.48Å; L343-T391 HydrophobicContact CD2-CG2 4.02Å
344	P	92.9	Very high	85.6	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.026	33%	0.327	C	S	.	.			trans	-66.4	145	173.9	27.5	-34.1	0	0	0	112.2	Q311 F333 T334 D366	Q311-P344 WeakPolarHBondContact O-CA 3.15Å; F333-P344 HydrophobicContact CB-CB 3.66Å; F333-P344 HydrophobicContact CB-CG 3.92Å; F333-P344 HydrophobicContact CD1-CB 4.16Å; F333-P344 HydrophobicContact CG-CB 4.21Å; T334-P344 HydrophobicContact CG2-CB 4.02Å; T334-P344 WeakPolarHBondContact O-CD 3.4Å; P344-D366 VanDerWaalsContact CD-O 3.25Å; P344-D366 WeakPolarHBondContact CD-O 3.14Å; P344-D366 HydrophobicContact CG-CB 4.48Å; P344-D366 WeakPolarHBondContact CG-O 3.33Å
345	K	93.5	Very high	85.8	Confident	97 Å²	97	63.2 Å²	63.2	42%	0.422	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.5	178.4	-174.8	170.2	-179.6	-87.6	0	111.3	Q311 H312 L313 D347	Q311-K345 PolarHBondContact O-N 3.21Å; H312-K345 CarbonylContact C-O 3.59Å; H312-K345 VanDerWaalsContact CA-O 3.27Å; H312-K345 WeakPolarHBondContact CA-O 3.41Å; H312-K345 HydrophobicContact CB-CB 4.38Å; H312-K345 PolarHBondContact CE1-NZ 2.93Å; H312-K345 VanDerWaalsContact CE1-NZ 3.34Å; H312-K345 PolarHBondContact NE2-NZ 3.47Å; L313-K345 PolarHBondContact N-O 3.04Å; K345-D347 IonicContact NZ-OD1 3.91Å; K345-D347 PolarHBondContact NZ-OD1 3.45Å; K345-D347 IonicContact NZ-OD2 2.88Å
346	I	97.2	Very high	86.4	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.046	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131	167.8	-61.2	172.6	0	0	0	106.9	L313 F333 F351 M362 I367 K371 M374	L313-I346 HydrophobicContact CB-CG1 4.29Å; L313-I346 HydrophobicContact CD2-CG2 4.3Å; F333-I346 HydrophobicContact CE1-CD1 4.01Å; F333-I346 HydrophobicContact CE1-CG1 3.86Å; F333-I346 HydrophobicContact CE2-CD1 3.94Å; F333-I346 HydrophobicContact CZ-CD1 3.58Å; F333-I346 HydrophobicContact CZ-CG1 3.93Å; I346-F351 HydrophobicContact CG2-CE2 4.47Å; I346-M362 HydrophobicContact CD1-CE 3.75Å; I346-I367 HydrophobicContact CD1-CD1 3.76Å; I346-I367 HydrophobicContact CD1-CG1 4.25Å; I346-K371 VanDerWaalsContact O-CE 3.27Å; I346-K371 WeakPolarHBondContact O-CE 3.28Å; I346-K371 PolarHBondContact O-NZ 2.82Å; I346-M374 HydrophobicContact CD1-CE 3.88Å
347	D	97.8	Very high	87.6	Confident	35 Å²	35	54.5 Å²	54.5	19%	0.187	30%	0.304	C	S	.	.			trans	-82.8	153.8	173.7	-74.7	-25.8	0	0	0	112.1	H312 L313 K345 S350	H312-D347 IonicContact CD2-OD2 2.74Å; H312-D347 IonicContact CE1-OD2 3.77Å; H312-D347 PolarHBondContact CE1-OD2 2.72Å; H312-D347 VanDerWaalsContact NE2-CG 3.27Å; H312-D347 IonicContact NE2-OD1 2.84Å; H312-D347 PolarHBondContact NE2-OD1 3.2Å; H312-D347 IonicContact NE2-OD2 3.19Å; H312-D347 PolarHBondContact NE2-OD2 3.28Å; L313-D347 PolarHBondContact O-N 2.99Å; L313-D347 VanDerWaalsContact O-N 3.09Å; K345-D347 IonicContact NZ-OD1 3.91Å; K345-D347 PolarHBondContact NZ-OD1 3.45Å; K345-D347 IonicContact NZ-OD2 2.88Å; D347-S350 WeakPolarHBondContact O-CB 3.31Å; D347-S350 PolarHBondContact O-N 3.17Å; D347-S350 PolarHBondContact O-OG 3.42Å; D347-S350 VanDerWaalsContact O-OG 3.09Å
348	D	97.8	Very high	89.1	Confident	48 Å²	48	54.9 Å²	54.9	26%	0.257	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	147.8	174.1	-63.7	-92.2	0	0	0	109.9	S350 K371 N373	D348-S350 PolarHBondContact O-N 2.89Å; D348-K371 VanDerWaalsContact CG-CD 3.49Å; D348-K371 WeakPolarHBondContact OD1-CB 3.49Å; D348-K371 WeakPolarHBondContact OD1-CD 3.31Å; D348-K371 WeakPolarHBondContact OD2-CD 3.37Å; D348-K371 IonicContact OD2-NZ 2.74Å; D348-K371 PolarHBondContact OD2-NZ 2.98Å; D348-N373 HydrophobicContact CB-CB 3.88Å; D348-N373 PolarHBondContact OD1-N 3.1Å
349	F	98.2	Very high	90.7	Very high	78 Å²	78	48.7 Å²	48.7	34%	0.342	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	10.4	-174.5	-46.2	-85.7	0	0	0	115.6	F351 Q352 N373 T376	F349-F351 PolarHBondContact O-N 3.1Å; F349-F351 VanDerWaalsContact O-N 3.09Å; F349-Q352 HydrophobicContact CB-CB 4.17Å; F349-Q352 HydrophobicContact CB-CG 4.28Å; F349-Q352 WeakPolarHBondContact O-CB 3.39Å; F349-Q352 VanDerWaalsContact O-CG 3.25Å; F349-Q352 WeakPolarHBondContact O-CG 3.08Å; F349-Q352 PolarHBondContact O-N 3.08Å; F349-Q352 PolarHBondContact O-NE2 3.15Å; F349-N373 HydrophobicContact CD1-CB 4.27Å; F349-N373 HydrophobicContact CD2-CB 4.22Å; F349-N373 HydrophobicContact CE1-CB 3.83Å; F349-N373 VanDerWaalsContact CE1-OD1 3.31Å; F349-N373 WeakPolarHBondContact CE1-OD1 3.47Å; F349-N373 HydrophobicContact CE2-CB 3.75Å; F349-N373 HydrophobicContact CG-CB 4.46Å; F349-N373 HydrophobicContact CZ-CB 3.54Å; F349-N373 VanDerWaalsContact CZ-OD1 3.29Å; F349-N373 WeakPolarHBondContact CZ-OD1 3.37Å; F349-N373 PolarHBondContact N-O 3.32Å; F349-T376 HydrophobicContact CD1-CG2 4.13Å; F349-T376 HydrophobicContact CE1-CG2 3.88Å
350	S	98.3	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25	174.7	-81.9	0	0	0	0	114.4	L313 L314 D347 D348	L313-S350 PolarHBondContact O-OG 3.09Å; L314-S350 VanDerWaalsContact C-OG 3.24Å; L314-S350 PolarHBondContact O-OG 3.37Å; D347-S350 WeakPolarHBondContact O-CB 3.31Å; D347-S350 PolarHBondContact O-N 3.17Å; D347-S350 PolarHBondContact O-OG 3.42Å; D347-S350 VanDerWaalsContact O-OG 3.09Å; D348-S350 PolarHBondContact O-N 2.89Å
351	F	98.5	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.2	178.2	-63.7	-61.7	0	0	0	114.7	L313 L318 L327 L329 I346 F349 W353 L354 M362 M374 F375 L378	L313-F351 HydrophobicContact CD2-CE1 4.21Å; L313-F351 HydrophobicContact CD2-CZ 4.1Å; L318-F351 HydrophobicContact CD1-CD1 3.73Å; L318-F351 HydrophobicContact CD1-CE1 3.71Å; L327-F351 HydrophobicContact CD2-CD1 4.42Å; L327-F351 HydrophobicContact CD2-CE1 4.06Å; L329-F351 HydrophobicContact CD1-CE1 3.71Å; L329-F351 HydrophobicContact CD1-CZ 3.68Å; I346-F351 HydrophobicContact CG2-CE2 4.47Å; F349-F351 PolarHBondContact O-N 3.1Å; F349-F351 VanDerWaalsContact O-N 3.09Å; F351-W353 PolarHBondContact O-N 2.99Å; F351-L354 HydrophobicContact CB-CD1 4.45Å; F351-L354 HydrophobicContact CD1-CD1 4.31Å; F351-L354 WeakPolarHBondContact O-CD1 3.21Å; F351-L354 PolarHBondContact O-N 2.87Å; F351-L354 VanDerWaalsContact O-N 3.15Å; F351-M362 HydrophobicContact CE2-CE 4.05Å; F351-M362 HydrophobicContact CE2-SD 4.18Å; F351-M362 HydrophobicContact CZ-CE 3.84Å; F351-M362 HydrophobicContact CZ-SD 4.13Å; F351-M374 WeakPolarHBondContact CD2-O 3.4Å; F351-F375 HydrophobicContact CD2-CD1 4.31Å; F351-F375 HydrophobicContact CE2-CE1 4.49Å; F351-L378 HydrophobicContact CB-CD1 3.93Å; F351-L378 HydrophobicContact CB-CD2 4Å; F351-L378 HydrophobicContact CB-CG 4.04Å; F351-L378 HydrophobicContact CG-CD1 4.45Å; F351-L378 WeakPolarHBondContact O-CD2 3.27Å
352	Q	98.1	Very high	96.1	Very high	64 Å²	64	34.5 Å²	34.5	30%	0.299	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.9	-170.7	76.9	-171.9	-48.4	0	0	114.6	F349 T376	F349-Q352 HydrophobicContact CB-CB 4.17Å; F349-Q352 HydrophobicContact CB-CG 4.28Å; F349-Q352 WeakPolarHBondContact O-CB 3.39Å; F349-Q352 VanDerWaalsContact O-CG 3.25Å; F349-Q352 WeakPolarHBondContact O-CG 3.08Å; F349-Q352 PolarHBondContact O-N 3.08Å; F349-Q352 PolarHBondContact O-NE2 3.15Å; Q352-T376 VanDerWaalsContact CA-O 3.27Å; Q352-T376 WeakPolarHBondContact CA-O 3.3Å; Q352-T376 WeakPolarHBondContact CB-O 3.3Å
353	W	98.1	Very high	97.2	Very high	71 Å²	71	33.6 Å²	33.6	27%	0.269	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.7	-175.1	-51.2	111	0	0	0	113.6	S315 H316 H319 F322 F351 T355	S315-W353 PolarHBondContact O-NE1 3.29Å; H316-W353 AromaticContact NE2-CZ2 3.89Å; H319-W353 HydrophobicContact CB-CD2 4.44Å; H319-W353 HydrophobicContact CB-CG 4.39Å; H319-W353 AromaticContact CD2-CD2 3.65Å; H319-W353 AromaticContact CD2-CE2 3.77Å; H319-W353 AromaticContact CD2-CE3 3.69Å; H319-W353 AromaticContact CD2-CH2 3.94Å; H319-W353 AromaticContact CD2-CZ2 3.92Å; H319-W353 AromaticContact CD2-CZ3 3.84Å; F322-W353 WeakPolarHBondContact CA-O 3.25Å; F351-W353 PolarHBondContact O-N 2.99Å; W353-T355 VanDerWaalsContact C-N 3.25Å; W353-T355 PolarHBondContact O-N 3.35Å
354	L	98.5	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.			trans	-88.8	60.7	-171.5	-59.8	85.5	0	0	0	110.7	L318 L321 V324 L327 F351 C356 L357 L378	L318-L354 HydrophobicContact CB-CD1 3.98Å; L318-L354 HydrophobicContact CD1-CD1 4.06Å; L321-L354 HydrophobicContact CB-CG 4.27Å; V324-L354 HydrophobicContact CB-CD2 4.25Å; V324-L354 HydrophobicContact CG1-CD2 4.24Å; L327-L354 HydrophobicContact CD2-CD2 3.77Å; F351-L354 HydrophobicContact CB-CD1 4.45Å; F351-L354 HydrophobicContact CD1-CD1 4.31Å; F351-L354 WeakPolarHBondContact O-CD1 3.21Å; F351-L354 PolarHBondContact O-N 2.87Å; F351-L354 VanDerWaalsContact O-N 3.15Å; L354-C356 PolarHBondContact O-N 3.23Å; L354-C356 VanDerWaalsContact O-N 3.15Å; L354-L357 HydrophobicContact CB-CB 3.98Å; L354-L357 HydrophobicContact CB-CD2 4.39Å; L354-L357 HydrophobicContact CD2-CD1 4.42Å; L354-L357 HydrophobicContact CD2-CD2 4.35Å; L354-L357 VanDerWaalsContact O-CB 3.25Å; L354-L357 WeakPolarHBondContact O-CB 3.41Å; L354-L357 PolarHBondContact O-N 3.37Å; L354-L378 HydrophobicContact CB-CD2 4.02Å
355	T	97.9	Very high	98	Very high	50 Å²	50	31.8 Å²	31.8	31%	0.307	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.6	-171.2	47.6	0	0	0	0	114.5	F322 W353 I379 N380	F322-T355 PolarHBondContact O-OG1 3.32Å; W353-T355 VanDerWaalsContact C-N 3.25Å; W353-T355 PolarHBondContact O-N 3.35Å; T355-I379 WeakPolarHBondContact O-CG1 3.47Å; T355-N380 PolarHBondContact O-ND2 2.8Å
356	C	98.6	Very high	98	Very high	40 Å²	40	29 Å²	29	27%	0.27	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	9	177.3	-64.4	0	0	0	0	114.3	F322 V324 R325 L354 E358	F322-C356 VanDerWaalsContact O-CB 3.25Å; F322-C356 WeakPolarHBondContact O-CB 3.16Å; F322-C356 PolarHBondContact O-N 2.96Å; F322-C356 VanDerWaalsContact O-N 3.09Å; F322-C356 PolarHBondContact O-SG 3.01Å; F322-C356 VanDerWaalsContact O-SG 3.36Å; V324-C356 CarbonylContact O-C 3.48Å; V324-C356 VanDerWaalsContact O-C 3.29Å; R325-C356 WeakPolarHBondContact CA-O 3.5Å; L354-C356 PolarHBondContact O-N 3.23Å; L354-C356 VanDerWaalsContact O-N 3.15Å; C356-E358 WeakPolarHBondContact O-CG 3.02Å; C356-E358 PolarHBondContact O-N 3.09Å
357	L	98.8	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.			trans	-67.7	116.7	-176.4	-170.1	69.4	0	0	0	111.3	V324 L327 L354 L360 L378 N380 L381	V324-L357 HydrophobicContact CG1-CD1 4.1Å; V324-L357 WeakPolarHBondContact O-CA 3.25Å; V324-L357 PolarHBondContact O-N 3.14Å; V324-L357 VanDerWaalsContact O-N 3.08Å; L327-L357 HydrophobicContact CB-CD1 3.69Å; L354-L357 HydrophobicContact CB-CB 3.98Å; L354-L357 HydrophobicContact CB-CD2 4.39Å; L354-L357 HydrophobicContact CD2-CD1 4.42Å; L354-L357 HydrophobicContact CD2-CD2 4.35Å; L354-L357 VanDerWaalsContact O-CB 3.25Å; L354-L357 WeakPolarHBondContact O-CB 3.41Å; L354-L357 PolarHBondContact O-N 3.37Å; L357-L360 HydrophobicContact CD2-CB 4.01Å; L357-L360 HydrophobicContact CD2-CD1 4.39Å; L357-L360 HydrophobicContact CD2-CD2 4.14Å; L357-L360 HydrophobicContact CD2-CG 4.41Å; L357-L378 HydrophobicContact CB-CD2 4.05Å; L357-L378 HydrophobicContact CD2-CD1 4.18Å; L357-L378 HydrophobicContact CD2-CD2 3.66Å; L357-L378 HydrophobicContact CG-CD2 4.5Å; L357-N380 CarbonylContact O-C 3.54Å; L357-L381 HydrophobicContact CD2-CD1 4.33Å; L357-L381 HydrophobicContact CG-CD1 4.3Å; L357-L381 WeakPolarHBondContact O-CA 3.45Å; L357-L381 PolarHBondContact O-N 2.92Å
358	E	98.8	Very high	97.6	Very high	50 Å²	50	30.3 Å²	30.3	23%	0.234	16%	0.157	C	C	.	.			trans	-99.3	-32.5	179.9	-54.6	-169.8	-122.2	0	0	111.5	R325 C356 K382 Y383	R325-E358 HydrophobicContact CB-CG 4.39Å; R325-E358 WeakPolarHBondContact CD-OE1 3.3Å; R325-E358 IonicContact CZ-OE1 3.9Å; R325-E358 IonicContact NH1-OE1 2.7Å; R325-E358 PolarHBondContact NH1-OE1 3.5Å; R325-E358 PolarHBondContact O-N 3.17Å; C356-E358 WeakPolarHBondContact O-CG 3.02Å; C356-E358 PolarHBondContact O-N 3.09Å; E358-K382 PolarHBondContact O-N 3.3Å; E358-K382 IonicContact OE2-NZ 3.23Å; E358-K382 PolarHBondContact OE2-NZ 2.63Å; E358-Y383 PolarHBondContact O-N 2.82Å
359	H	98.9	Very high	97.4	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.236	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	117	-173.1	177.9	-66.7	0	0	0	112.1	R325 Y326 L327 Y383	R325-H359 PolarHBondContact O-N 3.31Å; Y326-H359 HydrophobicContact CD2-CB 4.15Å; Y326-H359 AromaticContact CD2-CE1 3.95Å; Y326-H359 AromaticContact CD2-CG 3.83Å; Y326-H359 AromaticContact CD2-ND1 3.4Å; Y326-H359 WeakPolarHBondContact CD2-ND1 3.15Å; Y326-H359 AromaticContact CE2-CE1 3.39Å; Y326-H359 WeakPolarHBondContact CE2-CE1 3.38Å; Y326-H359 AromaticContact CE2-ND1 3.31Å; Y326-H359 VanDerWaalsContact CE2-ND1 3.31Å; Y326-H359 WeakPolarHBondContact CE2-ND1 3.5Å; L327-H359 PolarHBondContact N-O 2.02Å; L327-H359 VanDerWaalsContact N-O 3.1Å; H359-Y383 AromaticContact CD2-CD1 3.3Å; H359-Y383 WeakPolarHBondContact CD2-CD1 3Å; H359-Y383 AromaticContact CD2-CE1 3.88Å; H359-Y383 AromaticContact CD2-CG 3.56Å; H359-Y383 AromaticContact CE1-CD1 3.78Å; H359-Y383 AromaticContact CE1-CE1 3.8Å; H359-Y383 AromaticContact CG-CD1 3.8Å; H359-Y383 AromaticContact NE2-CD1 3.31Å; H359-Y383 VanDerWaalsContact NE2-CD1 3.31Å; H359-Y383 WeakPolarHBondContact NE2-CD1 3.21Å; H359-Y383 AromaticContact NE2-CE1 3.37Å; H359-Y383 WeakPolarHBondContact NE2-CE1 3.36Å; H359-Y383 AromaticContact NE2-CG 3.93Å
360	L	98.9	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.1	177.9	-179.2	52.6	0	0	0	111.1	L327 L329 L357 M362 F375 L378 L381 Y383 L384 S385	L327-L360 HydrophobicContact CB-CD1 4.06Å; L327-L360 HydrophobicContact CD2-CD1 3.93Å; L327-L360 HydrophobicContact CG-CD1 3.94Å; L329-L360 HydrophobicContact CD1-CD1 4.4Å; L357-L360 HydrophobicContact CD2-CB 4.01Å; L357-L360 HydrophobicContact CD2-CD1 4.39Å; L357-L360 HydrophobicContact CD2-CD2 4.14Å; L357-L360 HydrophobicContact CD2-CG 4.41Å; L360-M362 HydrophobicContact CD1-CG 3.94Å; L360-M362 HydrophobicContact CD1-SD 4.48Å; L360-M362 HydrophobicContact CD2-CG 4.35Å; L360-M362 HydrophobicContact CD2-SD 4.02Å; L360-M362 HydrophobicContact CG-CG 3.92Å; L360-M362 HydrophobicContact CG-SD 4.25Å; L360-F375 HydrophobicContact CD2-CD1 4.32Å; L360-F375 HydrophobicContact CD2-CE1 4.13Å; L360-L378 HydrophobicContact CD2-CD1 4.11Å; L360-L381 HydrophobicContact CB-CD1 3.71Å; L360-Y383 PolarHBondContact N-O 2.88Å; L360-L384 HydrophobicContact CB-CD1 3.93Å; L360-L384 HydrophobicContact CD2-CD1 3.84Å; L360-L384 HydrophobicContact CG-CD1 3.84Å; L360-L384 WeakPolarHBondContact O-CA 3.37Å; L360-S385 PolarHBondContact O-N 3.02Å
361	N	98.9	Very high	97.2	Very high	15 Å²	15	30 Å²	30	8%	0.08	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.1	170.2	-169.4	-52.1	0	0	0	109.6	L327 L329 E363	L327-N361 PolarHBondContact O-N 2.96Å; L327-N361 VanDerWaalsContact O-N 3.09Å; L329-N361 WeakPolarHBondContact CA-O 3.35Å; L329-N361 WeakPolarHBondContact CB-O 3.36Å; L329-N361 PolarHBondContact N-O 2.66Å; N361-E363 VanDerWaalsContact ND2-CD 3.29Å; N361-E363 PolarHBondContact ND2-OE1 2.99Å; N361-E363 WeakPolarHBondContact OD1-CB 3.35Å; N361-E363 WeakPolarHBondContact OD1-CG 3.24Å; N361-E363 PolarHBondContact OD1-N 3.09Å
362	M	98.4	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.			trans	-129.2	27.3	174.6	-54.9	-174.9	67.8	0	0	112.3	L329 F333 I346 F351 L360 N365 I367 M374 F375 S385 L386 S389	L329-M362 HydrophobicContact CB-CG 4.27Å; L329-M362 HydrophobicContact CD1-CE 4.23Å; L329-M362 HydrophobicContact CD1-CG 4.44Å; F333-M362 HydrophobicContact CE2-CE 4.02Å; I346-M362 HydrophobicContact CD1-CE 3.75Å; F351-M362 HydrophobicContact CE2-CE 4.05Å; F351-M362 HydrophobicContact CE2-SD 4.18Å; F351-M362 HydrophobicContact CZ-CE 3.84Å; F351-M362 HydrophobicContact CZ-SD 4.13Å; L360-M362 HydrophobicContact CD1-CG 3.94Å; L360-M362 HydrophobicContact CD1-SD 4.48Å; L360-M362 HydrophobicContact CD2-CG 4.35Å; L360-M362 HydrophobicContact CD2-SD 4.02Å; L360-M362 HydrophobicContact CG-CG 3.92Å; L360-M362 HydrophobicContact CG-SD 4.25Å; M362-N365 VanDerWaalsContact C-ND2 3.35Å; M362-N365 PolarHBondContact O-ND2 2.86Å; M362-I367 HydrophobicContact CE-CD1 3.87Å; M362-M374 HydrophobicContact CE-CE 3.85Å; M362-M374 HydrophobicContact SD-CE 4.28Å; M362-F375 HydrophobicContact SD-CE1 3.89Å; M362-F375 HydrophobicContact SD-CZ 4.34Å; M362-S385 PolarHBondContact N-O 2.99Å; M362-L386 HydrophobicContact CB-CD2 4.04Å; M362-L386 HydrophobicContact CG-CD2 4.37Å; M362-L386 HydrophobicContact SD-CD2 4.2Å; M362-S389 WeakPolarHBondContact O-CB 3.17Å; M362-S389 PolarHBondContact O-OG 2.86Å
363	E	98.2	Very high	97.1	Very high	31 Å²	31	32.5 Å²	32.5	15%	0.145	18%	0.18	C	C	.	.			trans	-64	157.3	-171.6	-67.1	171.4	-158.8	0	0	114.7	K330 R331 N361 N365 S385 S387	K330-E363 CarbonylContact C-O 3.49Å; K330-E363 VanDerWaalsContact CA-O 3.29Å; K330-E363 WeakPolarHBondContact CA-O 3.42Å; K330-E363 HydrophobicContact CB-CB 4.49Å; K330-E363 HydrophobicContact CD-CB 4.03Å; K330-E363 WeakPolarHBondContact CE-OE2 3.16Å; K330-E363 HydrophobicContact CG-CB 4.01Å; K330-E363 IonicContact NZ-OE2 2.83Å; K330-E363 PolarHBondContact NZ-OE2 3.38Å; R331-E363 PolarHBondContact N-O 3.43Å; N361-E363 VanDerWaalsContact ND2-CD 3.29Å; N361-E363 PolarHBondContact ND2-OE1 2.99Å; N361-E363 WeakPolarHBondContact OD1-CB 3.35Å; N361-E363 WeakPolarHBondContact OD1-CG 3.24Å; N361-E363 PolarHBondContact OD1-N 3.09Å; E363-N365 PolarHBondContact O-N 3.49Å; E363-N365 PolarHBondContact O-ND2 2.83Å; E363-N365 VanDerWaalsContact O-ND2 3.12Å; E363-S385 VanDerWaalsContact CD-OG 3.3Å; E363-S385 WeakPolarHBondContact CG-OG 3.44Å; E363-S385 WeakPolarHBondContact OE1-CB 3.49Å; E363-S385 PolarHBondContact OE1-OG 3.48Å; E363-S387 CarbonylContact C-O 3.54Å; E363-S387 VanDerWaalsContact CA-O 3.24Å; E363-S387 WeakPolarHBondContact CA-O 3.19Å
364	D	97.3	Very high	97.1	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.139	17%	0.168	C	C	.	.	S	Bend	trans	53	52.3	173.5	-79.1	-27.9	0	0	0	113.4	R331 S387 N388	R331-D364 HydrophobicContact CG-CB 3.39Å; R331-D364 VanDerWaalsContact CG-O 3.25Å; R331-D364 WeakPolarHBondContact CG-O 3.32Å; R331-D364 IonicContact CZ-OD2 3.97Å; R331-D364 IonicContact NE-OD2 2.75Å; R331-D364 PolarHBondContact NE-OD2 2.99Å; R331-D364 IonicContact NH2-OD1 3.56Å; R331-D364 IonicContact NH2-OD2 2.83Å; R331-D364 PolarHBondContact NH2-OD2 2.99Å; D364-S387 PolarHBondContact N-O 2.73Å; D364-N388 CarbonylContact C-O 3.49Å; D364-N388 WeakPolarHBondContact CA-O 3.39Å; D364-N388 PolarHBondContact N-O 2.97Å; D364-N388 PolarHBondContact OD1-ND2 3.24Å
365	N	96.6	Very high	97.1	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	17%	0.168	C	C	.	.			trans	-125.9	157.3	178.9	-74.2	-64.2	0	0	0	111.5	L329 R331 S332 F333 M362 E363 I367 N388 S389 F390	L329-N365 PolarHBondContact O-ND2 3.4Å; R331-N365 WeakPolarHBondContact CA-OD1 3.36Å; R331-N365 PolarHBondContact N-OD1 2.86Å; S332-N365 PolarHBondContact N-OD1 3.02Å; S332-N365 VanDerWaalsContact N-OD1 3.14Å; F333-N365 HydrophobicContact CD2-CB 4.28Å; F333-N365 WeakPolarHBondContact CD2-OD1 3.29Å; F333-N365 PolarHBondContact N-OD1 3.2Å; F333-N365 VanDerWaalsContact N-OD1 3.14Å; M362-N365 VanDerWaalsContact C-ND2 3.35Å; M362-N365 PolarHBondContact O-ND2 2.86Å; E363-N365 PolarHBondContact O-N 3.49Å; E363-N365 PolarHBondContact O-ND2 2.83Å; E363-N365 VanDerWaalsContact O-ND2 3.12Å; N365-I367 HydrophobicContact CB-CD1 4.18Å; N365-I367 HydrophobicContact CB-CG1 4.13Å; N365-N388 PolarHBondContact N-O 3.2Å; N365-N388 VanDerWaalsContact O-O 3.13Å; N365-S389 CarbonylContact C-O 3.37Å; N365-S389 CarbonylContact O-C 3.17Å; N365-S389 WeakPolarHBondContact O-CA 3.37Å; N365-F390 PolarHBondContact O-N 3.06Å
366	D	94.8	Very high	97.1	Very high	39 Å²	39	28.7 Å²	28.7	21%	0.209	16%	0.164	C	C	.	.			trans	-100.8	42	-177.4	-66.4	-39	0	0	0	112.2	K335 Q336 L343 P344 T391	K335-D366 WeakPolarHBondContact CA-OD2 3.45Å; K335-D366 WeakPolarHBondContact CB-OD2 3.49Å; Q336-D366 HydrophobicContact CB-CB 4.37Å; Q336-D366 PolarHBondContact N-OD2 2.66Å; L343-D366 HydrophobicContact CD2-CB 4.48Å; P344-D366 VanDerWaalsContact CD-O 3.25Å; P344-D366 WeakPolarHBondContact CD-O 3.14Å; P344-D366 HydrophobicContact CG-CB 4.48Å; P344-D366 WeakPolarHBondContact CG-O 3.33Å; D366-T391 HydrophobicContact CB-CG2 3.81Å
367	I	94.9	Very high	97.1	Very high	5 Å²	5	28 Å²	28	3%	0.026	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-72	142	-176.7	-55.5	162.8	0	0	0	109.9	F333 I346 M362 N365 G369 S389 F390 T391	F333-I367 HydrophobicContact CD2-CD1 4.31Å; F333-I367 HydrophobicContact CE2-CD1 4.41Å; I346-I367 HydrophobicContact CD1-CD1 3.76Å; I346-I367 HydrophobicContact CD1-CG1 4.25Å; M362-I367 HydrophobicContact CE-CD1 3.87Å; N365-I367 HydrophobicContact CB-CD1 4.18Å; N365-I367 HydrophobicContact CB-CG1 4.13Å; I367-G369 PolarHBondContact O-N 2.67Å; I367-S389 VanDerWaalsContact CB-O 3.3Å; I367-S389 WeakPolarHBondContact CB-O 3.02Å; I367-S389 PolarHBondContact N-O 2.83Å; I367-S389 VanDerWaalsContact N-O 3.13Å; I367-F390 HydrophobicContact CB-CD1 3.75Å; I367-F390 HydrophobicContact CB-CE1 4.01Å; I367-F390 HydrophobicContact CD1-CE1 4.48Å; I367-F390 HydrophobicContact CG2-CD1 3.94Å; I367-F390 HydrophobicContact CG2-CE1 3.9Å; I367-F390 CarbonylContact O-C 3.49Å; I367-F390 WeakPolarHBondContact O-CA 3.43Å; I367-T391 PolarHBondContact O-N 3.11Å; I367-T391 PolarHBondContact O-OG1 2.99Å
368	S	91.7	Very high	97	Very high	66 Å²	66	28.1 Å²	28.1	46%	0.462	16%	0.164	S	C	.	.			trans	-66.6	-34.6	-176.4	55.7	0	0	0	0	114.1	S392	S368-S392 PolarHBondContact O-OG 2.92Å
369	G	93.3	Very high	97	Very high	18 Å²	18	30.1 Å²	30.1	19%	0.186	18%	0.176	C	C	.	.			trans	171	-178	178.2	0	0	0	0	0	112.1	I367	I367-G369 PolarHBondContact O-N 2.67Å
370	I	96.7	Very high	97	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.138	18%	0.181	C	C	.	.			trans	-88.2	141.1	175.3	-55.6	172.2	0	0	0	109.3	M374 F375 L386 F390 L393 T400 F401	I370-M374 HydrophobicContact CB-SD 4.41Å; I370-M374 HydrophobicContact CG2-CB 4.23Å; I370-M374 HydrophobicContact CG2-SD 4.12Å; I370-F375 HydrophobicContact CD1-CE2 4.47Å; I370-F375 HydrophobicContact CG1-CE2 4.48Å; I370-F375 HydrophobicContact CG2-CD2 4.28Å; I370-F375 HydrophobicContact CG2-CE2 3.88Å; I370-L386 HydrophobicContact CD1-CD1 4.11Å; I370-F390 HydrophobicContact CD1-CE2 4.09Å; I370-F390 HydrophobicContact CD1-CZ 3.89Å; I370-F390 HydrophobicContact CG1-CE1 3.75Å; I370-F390 HydrophobicContact CG1-CE2 3.97Å; I370-F390 HydrophobicContact CG1-CZ 3.34Å; I370-L393 HydrophobicContact CD1-CD2 4.38Å; I370-L393 HydrophobicContact CG1-CD1 4.46Å; I370-T400 HydrophobicContact CB-CG2 4.49Å; I370-T400 HydrophobicContact CD1-CG2 4.17Å; I370-T400 WeakPolarHBondContact CG2-O 3.46Å; I370-F401 HydrophobicContact CD1-CD1 3.96Å; I370-F401 HydrophobicContact CD1-CE1 3.42Å; I370-F401 VanDerWaalsContact CD1-CE1 3.42Å; I370-F401 HydrophobicContact CD1-CZ 4.18Å
371	K	95.9	Very high	97	Very high	75 Å²	75	30.7 Å²	30.7	33%	0.326	18%	0.181	S	C	.	.			trans	-106.7	159.2	175.6	-58.2	-175.4	-179.8	171.3	0	112.4	I346 D348 N373 M374	I346-K371 VanDerWaalsContact O-CE 3.27Å; I346-K371 WeakPolarHBondContact O-CE 3.28Å; I346-K371 PolarHBondContact O-NZ 2.82Å; D348-K371 VanDerWaalsContact CG-CD 3.49Å; D348-K371 WeakPolarHBondContact OD1-CB 3.49Å; D348-K371 WeakPolarHBondContact OD1-CD 3.31Å; D348-K371 WeakPolarHBondContact OD2-CD 3.37Å; D348-K371 IonicContact OD2-NZ 2.74Å; D348-K371 PolarHBondContact OD2-NZ 2.98Å; K371-N373 PolarHBondContact O-N 2.78Å; K371-M374 HydrophobicContact CB-CB 4.24Å; K371-M374 WeakPolarHBondContact O-CB 3.39Å; K371-M374 PolarHBondContact O-N 3.18Å; K371-M374 VanDerWaalsContact O-N 3.11Å
372	S	96.3	Very high	97	Very high	67 Å²	67	33.8 Å²	33.8	47%	0.469	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.7	-178.4	59.8	0	0	0	0	114.7	S403	S372-S403 WeakPolarHBondContact O-CB 3.15Å
373	N	97.9	Very high	97	Very high	49 Å²	49	36.8 Å²	36.8	26%	0.262	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	29.7	174.7	-75.2	-84.3	0	0	0	113.4	D348 F349 K371 T376	D348-N373 HydrophobicContact CB-CB 3.88Å; D348-N373 PolarHBondContact OD1-N 3.1Å; F349-N373 HydrophobicContact CD1-CB 4.27Å; F349-N373 HydrophobicContact CD2-CB 4.22Å; F349-N373 HydrophobicContact CE1-CB 3.83Å; F349-N373 VanDerWaalsContact CE1-OD1 3.31Å; F349-N373 WeakPolarHBondContact CE1-OD1 3.47Å; F349-N373 HydrophobicContact CE2-CB 3.75Å; F349-N373 HydrophobicContact CG-CB 4.46Å; F349-N373 HydrophobicContact CZ-CB 3.54Å; F349-N373 VanDerWaalsContact CZ-OD1 3.29Å; F349-N373 WeakPolarHBondContact CZ-OD1 3.37Å; F349-N373 PolarHBondContact N-O 3.32Å; K371-N373 PolarHBondContact O-N 2.78Å; N373-T376 VanDerWaalsContact CA-OG1 3.31Å; N373-T376 WeakPolarHBondContact CA-OG1 3.38Å; N373-T376 PolarHBondContact OD1-OG1 3.31Å
374	M	98.2	Very high	97	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.02	20%	0.198	C	C	.	.	S	Bend	trans	-64.6	-49.6	179.8	-176.4	166.5	175	0	0	112.6	I346 F351 M362 I370 K371	I346-M374 HydrophobicContact CD1-CE 3.88Å; F351-M374 WeakPolarHBondContact CD2-O 3.4Å; M362-M374 HydrophobicContact CE-CE 3.85Å; M362-M374 HydrophobicContact SD-CE 4.28Å; I370-M374 HydrophobicContact CB-SD 4.41Å; I370-M374 HydrophobicContact CG2-CB 4.23Å; I370-M374 HydrophobicContact CG2-SD 4.12Å; K371-M374 HydrophobicContact CB-CB 4.24Å; K371-M374 WeakPolarHBondContact O-CB 3.39Å; K371-M374 PolarHBondContact O-N 3.18Å; K371-M374 VanDerWaalsContact O-N 3.11Å
375	F	98.6	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-101.5	6.2	-175.3	-58.7	-69.2	0	0	0	114.4	F351 L360 M362 I370 G377 L378 L384 L386 S403 L404	F351-F375 HydrophobicContact CD2-CD1 4.31Å; F351-F375 HydrophobicContact CE2-CE1 4.49Å; L360-F375 HydrophobicContact CD2-CD1 4.32Å; L360-F375 HydrophobicContact CD2-CE1 4.13Å; M362-F375 HydrophobicContact SD-CE1 3.89Å; M362-F375 HydrophobicContact SD-CZ 4.34Å; I370-F375 HydrophobicContact CD1-CE2 4.47Å; I370-F375 HydrophobicContact CG1-CE2 4.48Å; I370-F375 HydrophobicContact CG2-CD2 4.28Å; I370-F375 HydrophobicContact CG2-CE2 3.88Å; F375-G377 PolarHBondContact O-N 3.24Å; F375-L378 HydrophobicContact CB-CD1 4.19Å; F375-L378 HydrophobicContact CD1-CD1 4.02Å; F375-L378 WeakPolarHBondContact O-CB 3.41Å; F375-L378 WeakPolarHBondContact O-CG 3.37Å; F375-L378 PolarHBondContact O-N 2.78Å; F375-L384 HydrophobicContact CE1-CD1 4.19Å; F375-L384 HydrophobicContact CE1-CD2 4.28Å; F375-L384 HydrophobicContact CE2-CD2 4.37Å; F375-L384 HydrophobicContact CZ-CD2 4.17Å; F375-L386 HydrophobicContact CZ-CD1 4.39Å; F375-L386 HydrophobicContact CZ-CD2 4.18Å; F375-S403 CarbonylContact C-O 3.05Å; F375-S403 PolarHBondContact N-OG 3.11Å; F375-L404 HydrophobicContact CB-CD2 3.53Å; F375-L404 HydrophobicContact CB-CG 4.03Å; F375-L404 HydrophobicContact CD2-CD1 4.21Å; F375-L404 HydrophobicContact CD2-CD2 4.02Å; F375-L404 HydrophobicContact CD2-CG 3.96Å; F375-L404 HydrophobicContact CG-CD2 3.8Å; F375-L404 HydrophobicContact CG-CG 4.21Å
376	T	98.4	Very high	97.2	Very high	36 Å²	36	34 Å²	34	22%	0.221	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	125.4	-174.5	-55.2	0	0	0	0	111.2	F349 Q352 N373 S403	F349-T376 HydrophobicContact CD1-CG2 4.13Å; F349-T376 HydrophobicContact CE1-CG2 3.88Å; Q352-T376 VanDerWaalsContact CA-O 3.27Å; Q352-T376 WeakPolarHBondContact CA-O 3.3Å; Q352-T376 WeakPolarHBondContact CB-O 3.3Å; N373-T376 VanDerWaalsContact CA-OG1 3.31Å; N373-T376 WeakPolarHBondContact CA-OG1 3.38Å; N373-T376 PolarHBondContact OD1-OG1 3.31Å; T376-S403 WeakPolarHBondContact OG1-CB 3.25Å
377	G	97.1	Very high	97.4	Very high	27 Å²	27	32.5 Å²	32.5	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.9	-8.8	-179.6	0	0	0	0	0	115.2	F375 I379	F375-G377 PolarHBondContact O-N 3.24Å; G377-I379 PolarHBondContact O-N 2.95Å
378	L	98.5	Very high	97.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.196	C	C	.	.			trans	-78.1	55.6	180	-65.7	-177.4	0	0	0	113.8	F351 L354 L357 L360 F375 N380 L381 S407	F351-L378 HydrophobicContact CB-CD1 3.93Å; F351-L378 HydrophobicContact CB-CD2 4Å; F351-L378 HydrophobicContact CB-CG 4.04Å; F351-L378 HydrophobicContact CG-CD1 4.45Å; F351-L378 WeakPolarHBondContact O-CD2 3.27Å; L354-L378 HydrophobicContact CB-CD2 4.02Å; L357-L378 HydrophobicContact CB-CD2 4.05Å; L357-L378 HydrophobicContact CD2-CD1 4.18Å; L357-L378 HydrophobicContact CD2-CD2 3.66Å; L357-L378 HydrophobicContact CG-CD2 4.5Å; L360-L378 HydrophobicContact CD2-CD1 4.11Å; F375-L378 HydrophobicContact CB-CD1 4.19Å; F375-L378 HydrophobicContact CD1-CD1 4.02Å; F375-L378 WeakPolarHBondContact O-CB 3.41Å; F375-L378 WeakPolarHBondContact O-CG 3.37Å; F375-L378 PolarHBondContact O-N 2.78Å; L378-N380 PolarHBondContact O-N 3.12Å; L378-L381 HydrophobicContact CB-CB 4.01Å; L378-L381 HydrophobicContact CB-CD2 4.32Å; L378-L381 HydrophobicContact CD1-CD2 3.99Å; L378-L381 WeakPolarHBondContact O-CB 3.4Å; L378-L381 PolarHBondContact O-N 2.84Å; L378-S407 PolarHBondContact O-OG 3.22Å
379	I	98.2	Very high	97.8	Very high	93 Å²	93	31.6 Å²	31.6	48%	0.477	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.2	-170.1	60.4	169.8	0	0	0	116.6	T355 G377 P408	T355-I379 WeakPolarHBondContact O-CG1 3.47Å; G377-I379 PolarHBondContact O-N 2.95Å; I379-P408 VanDerWaalsContact O-CD 3.28Å; I379-P408 WeakPolarHBondContact O-CD 3.35Å
380	N	98.5	Very high	97.9	Very high	63 Å²	63	31 Å²	31	34%	0.337	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	6	176.4	-80.7	-75.8	0	0	0	113.6	T355 L357 L378 K382	T355-N380 PolarHBondContact O-ND2 2.8Å; L357-N380 CarbonylContact O-C 3.54Å; L378-N380 PolarHBondContact O-N 3.12Å; N380-K382 PolarHBondContact O-N 2.9Å
381	L	98.8	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.			trans	-71.6	117.1	-171.6	-176.4	71.9	0	0	0	112	L357 L360 L378 Y383 L384 L404 P408 L409	L357-L381 HydrophobicContact CD2-CD1 4.33Å; L357-L381 HydrophobicContact CG-CD1 4.3Å; L357-L381 WeakPolarHBondContact O-CA 3.45Å; L357-L381 PolarHBondContact O-N 2.92Å; L360-L381 HydrophobicContact CB-CD1 3.71Å; L378-L381 HydrophobicContact CB-CB 4.01Å; L378-L381 HydrophobicContact CB-CD2 4.32Å; L378-L381 HydrophobicContact CD1-CD2 3.99Å; L378-L381 WeakPolarHBondContact O-CB 3.4Å; L378-L381 PolarHBondContact O-N 2.84Å; L381-Y383 WeakPolarHBondContact CD1-O 3.48Å; L381-L384 HydrophobicContact CD2-CB 4.26Å; L381-L384 HydrophobicContact CD2-CD1 4.5Å; L381-L384 HydrophobicContact CD2-CD2 4.26Å; L381-L404 HydrophobicContact CD2-CD2 3.93Å; L381-P408 CarbonylContact O-C 3.58Å; L381-P408 VanDerWaalsContact O-O 3.13Å; L381-L409 HydrophobicContact CD2-CD1 4.18Å; L381-L409 HydrophobicContact CG-CD1 4Å; L381-L409 VanDerWaalsContact O-CA 3.26Å; L381-L409 WeakPolarHBondContact O-CA 3.33Å; L381-L409 PolarHBondContact O-N 3.46Å
382	K	98.7	Very high	96.9	Very high	80 Å²	80	30.5 Å²	30.5	35%	0.348	17%	0.173	S	C	.	.			trans	-106.5	-33.1	-177.7	-63.9	167.4	-170.7	169.5	0	112.8	E358 N380 P408 H410 I411	E358-K382 PolarHBondContact O-N 3.3Å; E358-K382 IonicContact OE2-NZ 3.23Å; E358-K382 PolarHBondContact OE2-NZ 2.63Å; N380-K382 PolarHBondContact O-N 2.9Å; K382-P408 WeakPolarHBondContact CA-O 3.46Å; K382-H410 PolarHBondContact O-N 2.68Å; K382-I411 PolarHBondContact O-N 3.47Å
383	Y	98.9	Very high	96.7	Very high	63 Å²	63	27.8 Å²	27.8	25%	0.247	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127	-178.7	179.7	-79.8	0	0	0	110.9	E358 H359 L360 L381 I411	E358-Y383 PolarHBondContact O-N 2.82Å; H359-Y383 AromaticContact CD2-CD1 3.3Å; H359-Y383 WeakPolarHBondContact CD2-CD1 3Å; H359-Y383 AromaticContact CD2-CE1 3.88Å; H359-Y383 AromaticContact CD2-CG 3.56Å; H359-Y383 AromaticContact CE1-CD1 3.78Å; H359-Y383 AromaticContact CE1-CE1 3.8Å; H359-Y383 AromaticContact CG-CD1 3.8Å; H359-Y383 AromaticContact NE2-CD1 3.31Å; H359-Y383 VanDerWaalsContact NE2-CD1 3.31Å; H359-Y383 WeakPolarHBondContact NE2-CD1 3.21Å; H359-Y383 AromaticContact NE2-CE1 3.37Å; H359-Y383 WeakPolarHBondContact NE2-CE1 3.36Å; H359-Y383 AromaticContact NE2-CG 3.93Å; L360-Y383 PolarHBondContact N-O 2.88Å; L381-Y383 WeakPolarHBondContact CD1-O 3.48Å; Y383-I411 HydrophobicContact CD2-CB 3.75Å; Y383-I411 HydrophobicContact CD2-CD1 3.99Å; Y383-I411 HydrophobicContact CD2-CG1 4.44Å; Y383-I411 HydrophobicContact CD2-CG2 3.66Å; Y383-I411 HydrophobicContact CE2-CB 4.34Å; Y383-I411 HydrophobicContact CE2-CG2 3.72Å
384	L	98.9	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	109	176.1	-178	56.7	0	0	0	110.6	L360 F375 L381 L386 L404 L409 I411 L412 N413	L360-L384 HydrophobicContact CB-CD1 3.93Å; L360-L384 HydrophobicContact CD2-CD1 3.84Å; L360-L384 HydrophobicContact CG-CD1 3.84Å; L360-L384 WeakPolarHBondContact O-CA 3.37Å; F375-L384 HydrophobicContact CE1-CD1 4.19Å; F375-L384 HydrophobicContact CE1-CD2 4.28Å; F375-L384 HydrophobicContact CE2-CD2 4.37Å; F375-L384 HydrophobicContact CZ-CD2 4.17Å; L381-L384 HydrophobicContact CD2-CB 4.26Å; L381-L384 HydrophobicContact CD2-CD1 4.5Å; L381-L384 HydrophobicContact CD2-CD2 4.26Å; L384-L386 HydrophobicContact CD1-CD2 3.89Å; L384-L386 HydrophobicContact CD1-CG 4.24Å; L384-L386 HydrophobicContact CD2-CD1 4.12Å; L384-L386 HydrophobicContact CD2-CG 4.39Å; L384-L386 HydrophobicContact CG-CD1 4.24Å; L384-L386 HydrophobicContact CG-CD2 4.17Å; L384-L386 HydrophobicContact CG-CG 3.97Å; L384-L404 HydrophobicContact CD2-CD1 3.84Å; L384-L404 HydrophobicContact CD2-CD2 4Å; L384-L409 HydrophobicContact CB-CD1 3.66Å; L384-L409 HydrophobicContact CB-CD2 4.41Å; L384-I411 PolarHBondContact N-O 3.36Å; L384-L412 HydrophobicContact CB-CD1 4.28Å; L384-L412 HydrophobicContact CD2-CD1 4.14Å; L384-L412 HydrophobicContact CG-CD1 4.17Å; L384-L412 WeakPolarHBondContact O-CA 3.31Å; L384-N413 PolarHBondContact O-N 2.97Å
385	S	98.8	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.7	172.1	-173.2	0	0	0	0	111.2	L360 M362 E363	L360-S385 PolarHBondContact O-N 3.02Å; M362-S385 PolarHBondContact N-O 2.99Å; E363-S385 VanDerWaalsContact CD-OG 3.3Å; E363-S385 WeakPolarHBondContact CG-OG 3.44Å; E363-S385 WeakPolarHBondContact OE1-CB 3.49Å; E363-S385 PolarHBondContact OE1-OG 3.48Å
386	L	98.6	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.			trans	-116.1	29	175.1	-55.1	174.8	0	0	0	111.4	M362 I370 F375 L384 N388 S389 F390 L412 N413 L414 N417	M362-L386 HydrophobicContact CB-CD2 4.04Å; M362-L386 HydrophobicContact CG-CD2 4.37Å; M362-L386 HydrophobicContact SD-CD2 4.2Å; I370-L386 HydrophobicContact CD1-CD1 4.11Å; F375-L386 HydrophobicContact CZ-CD1 4.39Å; F375-L386 HydrophobicContact CZ-CD2 4.18Å; L384-L386 HydrophobicContact CD1-CD2 3.89Å; L384-L386 HydrophobicContact CD1-CG 4.24Å; L384-L386 HydrophobicContact CD2-CD1 4.12Å; L384-L386 HydrophobicContact CD2-CG 4.39Å; L384-L386 HydrophobicContact CG-CD1 4.24Å; L384-L386 HydrophobicContact CG-CD2 4.17Å; L384-L386 HydrophobicContact CG-CG 3.97Å; L386-N388 PolarHBondContact O-N 3.42Å; L386-S389 WeakPolarHBondContact CA-OG 3.3Å; L386-S389 WeakPolarHBondContact O-CB 3.46Å; L386-S389 PolarHBondContact O-N 3.23Å; L386-S389 PolarHBondContact O-OG 3.47Å; L386-F390 HydrophobicContact CB-CE2 3.95Å; L386-F390 HydrophobicContact CD1-CE2 3.91Å; L386-F390 HydrophobicContact CD1-CZ 4.13Å; L386-F390 HydrophobicContact CD2-CE2 4.41Å; L386-F390 HydrophobicContact CD2-CZ 4.29Å; L386-F390 HydrophobicContact CG-CE2 4.29Å; L386-L412 HydrophobicContact CD1-CD1 4.22Å; L386-N413 CarbonylContact C-O 3.45Å; L386-N413 VanDerWaalsContact CA-O 3.3Å; L386-N413 WeakPolarHBondContact CA-O 3.01Å; L386-N413 WeakPolarHBondContact CB-O 3.24Å; L386-N413 PolarHBondContact N-O 2.96Å; L386-L414 HydrophobicContact CB-CD2 4.26Å; L386-L414 HydrophobicContact CD1-CD2 4.01Å; L386-N417 PolarHBondContact O-ND2 3.09Å; L386-N417 PolarHBondContact O-OD1 2.94Å
387	S	98.5	Very high	96.4	Very high	7 Å²	7	33.8 Å²	33.8	5%	0.049	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	121.6	179.6	-171.9	0	0	0	0	110.9	E363 D364 S389 T415 K416	E363-S387 CarbonylContact C-O 3.54Å; E363-S387 VanDerWaalsContact CA-O 3.24Å; E363-S387 WeakPolarHBondContact CA-O 3.19Å; D364-S387 PolarHBondContact N-O 2.73Å; S387-S389 PolarHBondContact O-N 3.41Å; S387-T415 CarbonylContact C-O 3.26Å; S387-T415 WeakPolarHBondContact CA-O 3.46Å; S387-T415 VanDerWaalsContact CB-OG1 3.31Å; S387-T415 WeakPolarHBondContact CB-OG1 3.25Å; S387-T415 PolarHBondContact OG-OG1 3.03Å; S387-K416 PolarHBondContact OG-NZ 2.72Å
388	N	97.6	Very high	96.4	Very high	53 Å²	53	35.8 Å²	35.8	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	40.6	-178.3	-168.8	43	0	0	0	112.6	D364 N365 L386 T415 K416	D364-N388 CarbonylContact C-O 3.49Å; D364-N388 WeakPolarHBondContact CA-O 3.39Å; D364-N388 PolarHBondContact N-O 2.97Å; D364-N388 PolarHBondContact OD1-ND2 3.24Å; N365-N388 PolarHBondContact N-O 3.2Å; N365-N388 VanDerWaalsContact O-O 3.13Å; L386-N388 PolarHBondContact O-N 3.42Å; N388-T415 PolarHBondContact N-O 3.04Å; N388-K416 HydrophobicContact CB-CB 3.88Å; N388-K416 HydrophobicContact CB-CD 4.24Å
389	S	97.4	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.			trans	-94.6	-12.2	-176.4	-63.9	0	0	0	0	114.2	M362 N365 I367 L386 S387 N417	M362-S389 WeakPolarHBondContact O-CB 3.17Å; M362-S389 PolarHBondContact O-OG 2.86Å; N365-S389 CarbonylContact C-O 3.37Å; N365-S389 CarbonylContact O-C 3.17Å; N365-S389 WeakPolarHBondContact O-CA 3.37Å; I367-S389 VanDerWaalsContact CB-O 3.3Å; I367-S389 WeakPolarHBondContact CB-O 3.02Å; I367-S389 PolarHBondContact N-O 2.83Å; I367-S389 VanDerWaalsContact N-O 3.13Å; L386-S389 WeakPolarHBondContact CA-OG 3.3Å; L386-S389 WeakPolarHBondContact O-CB 3.46Å; L386-S389 PolarHBondContact O-N 3.23Å; L386-S389 PolarHBondContact O-OG 3.47Å; S387-S389 PolarHBondContact O-N 3.41Å; S389-N417 PolarHBondContact N-OD1 3.34Å
390	F	95.3	Very high	96.2	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-131	141.7	-173.1	-53.5	-75.7	0	0	0	114.6	N365 I367 I370 L386 L393 N417	N365-F390 PolarHBondContact O-N 3.06Å; I367-F390 HydrophobicContact CB-CD1 3.75Å; I367-F390 HydrophobicContact CB-CE1 4.01Å; I367-F390 HydrophobicContact CD1-CE1 4.48Å; I367-F390 HydrophobicContact CG2-CD1 3.94Å; I367-F390 HydrophobicContact CG2-CE1 3.9Å; I367-F390 CarbonylContact O-C 3.49Å; I367-F390 WeakPolarHBondContact O-CA 3.43Å; I370-F390 HydrophobicContact CD1-CE2 4.09Å; I370-F390 HydrophobicContact CD1-CZ 3.89Å; I370-F390 HydrophobicContact CG1-CE1 3.75Å; I370-F390 HydrophobicContact CG1-CE2 3.97Å; I370-F390 HydrophobicContact CG1-CZ 3.34Å; L386-F390 HydrophobicContact CB-CE2 3.95Å; L386-F390 HydrophobicContact CD1-CE2 3.91Å; L386-F390 HydrophobicContact CD1-CZ 4.13Å; L386-F390 HydrophobicContact CD2-CE2 4.41Å; L386-F390 HydrophobicContact CD2-CZ 4.29Å; L386-F390 HydrophobicContact CG-CE2 4.29Å; F390-L393 HydrophobicContact CB-CB 3.74Å; F390-L393 HydrophobicContact CD2-CB 4.14Å; F390-L393 HydrophobicContact CD2-CD2 3.6Å; F390-L393 HydrophobicContact CD2-CG 4.42Å; F390-L393 HydrophobicContact CE2-CD2 3.93Å; F390-L393 HydrophobicContact CG-CB 4.06Å; F390-L393 HydrophobicContact CG-CD2 4.3Å; F390-N417 WeakPolarHBondContact CD2-OD1 3.27Å; F390-N417 PolarHBondContact N-OD1 2.82Å; F390-N417 VanDerWaalsContact N-OD1 3.15Å
391	T	89.9	Confident	96.2	Very high	32 Å²	32	34.2 Å²	34.2	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	-78.2	-26.2	173.5	53.6	0	0	0	0	113.7	L343 D366 I367	L343-T391 HydrophobicContact CD2-CG2 4.02Å; D366-T391 HydrophobicContact CB-CG2 3.81Å; I367-T391 PolarHBondContact O-N 3.11Å; I367-T391 PolarHBondContact O-OG1 2.99Å
392	S	81.7	Confident	96.2	Very high	60 Å²	60	36 Å²	36	42%	0.42	19%	0.189	S	C	.	.			trans	-146.1	21.1	-159.3	27.2	0	0	0	0	115	S368 Q394	S368-S392 PolarHBondContact O-OG 2.92Å; S392-Q394 PolarHBondContact O-N 3.19Å
393	L	92.4	Very high	96.2	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.058	18%	0.175	C	C	.	.			trans	-77.2	59.4	174.8	-166.6	71.3	0	0	0	111.6	I370 F390 L396 T400 L414 I419	I370-L393 HydrophobicContact CD1-CD2 4.38Å; I370-L393 HydrophobicContact CG1-CD1 4.46Å; F390-L393 HydrophobicContact CB-CB 3.74Å; F390-L393 HydrophobicContact CD2-CB 4.14Å; F390-L393 HydrophobicContact CD2-CD2 3.6Å; F390-L393 HydrophobicContact CD2-CG 4.42Å; F390-L393 HydrophobicContact CE2-CD2 3.93Å; F390-L393 HydrophobicContact CG-CB 4.06Å; F390-L393 HydrophobicContact CG-CD2 4.3Å; L393-L396 HydrophobicContact CD1-CD2 4.16Å; L393-L396 HydrophobicContact CD2-CD2 3.81Å; L393-L396 HydrophobicContact CG-CD2 3.81Å; L393-T400 HydrophobicContact CD1-CG2 4.08Å; L393-L414 HydrophobicContact CD2-CD2 4.36Å; L393-I419 HydrophobicContact CD2-CD1 4.48Å; L393-I419 HydrophobicContact CD2-CG1 4.43Å; L393-I419 HydrophobicContact CG-CG1 4.5Å; L393-I419 WeakPolarHBondContact O-CA 3.3Å; L393-I419 VanDerWaalsContact O-CG1 3.25Å; L393-I419 WeakPolarHBondContact O-CG1 3.44Å
394	Q	93.9	Very high	96.1	Very high	122 Å²	122	29.6 Å²	29.6	57%	0.57	16%	0.163	S	C	*	.			trans	-75.3	-27.3	-171.9	-69.3	-176	-12.1	0	0	114.2	S392 S420 K421	S392-Q394 PolarHBondContact O-N 3.19Å; Q394-S420 PolarHBondContact O-N 2.99Å; Q394-S420 PolarHBondContact O-OG 3.05Å; Q394-K421 PolarHBondContact O-N 2.95Å
395	T	97.4	Very high	96.1	Very high	55 Å²	55	31.1 Å²	31.1	34%	0.337	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.8	-178.9	-58	0	0	0	0	109.6	T397 K421 E423	T395-T397 HydrophobicContact CG2-CG2 4.16Å; T395-K421 CarbonylContact C-O 3.56Å; T395-K421 WeakPolarHBondContact CA-O 3.31Å; T395-K421 HydrophobicContact CG2-CB 4.22Å; T395-K421 HydrophobicContact CG2-CD 4.27Å; T395-K421 HydrophobicContact CG2-CG 4.48Å; T395-E423 HydrophobicContact CG2-CG 3.81Å
396	L	98.2	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121	170.5	-54.4	-178	0	0	0	109.7	L393 T400 F401 L414 I419 K421 I422 E423 A426 F427 L438	L393-L396 HydrophobicContact CD1-CD2 4.16Å; L393-L396 HydrophobicContact CD2-CD2 3.81Å; L393-L396 HydrophobicContact CG-CD2 3.81Å; L396-T400 HydrophobicContact CD2-CG2 4.09Å; L396-F401 HydrophobicContact CB-CE2 4.49Å; L396-F401 HydrophobicContact CD1-CE2 4.17Å; L396-F401 HydrophobicContact CD1-CZ 4.47Å; L396-F401 HydrophobicContact CD2-CE2 4.02Å; L396-F401 HydrophobicContact CD2-CZ 3.99Å; L396-F401 HydrophobicContact CG-CE2 4.46Å; L396-L414 HydrophobicContact CD1-CD1 4.29Å; L396-I419 HydrophobicContact CD1-CD1 4.16Å; L396-I419 HydrophobicContact CD1-CG2 4.14Å; L396-I419 HydrophobicContact CD2-CD1 4.27Å; L396-I419 HydrophobicContact CD2-CG1 4.3Å; L396-I419 HydrophobicContact CG-CD1 4.45Å; L396-I419 HydrophobicContact CG-CG1 4.48Å; L396-I419 HydrophobicContact CG-CG2 3.9Å; L396-K421 PolarHBondContact N-O 2.86Å; L396-I422 HydrophobicContact CB-CG2 4.34Å; L396-I422 HydrophobicContact CD1-CG1 4.2Å; L396-E423 WeakPolarHBondContact O-CB 3.16Å; L396-E423 PolarHBondContact O-N 3.46Å; L396-A426 HydrophobicContact CB-CB 4.11Å; L396-F427 HydrophobicContact CD1-CE1 3.94Å; L396-F427 HydrophobicContact CD1-CZ 3.6Å; L396-L438 HydrophobicContact CD1-CD2 3.97Å
397	T	97.6	Very high	96	Very high	38 Å²	38	39 Å²	39	23%	0.233	21%	0.214	C	C	.	.			trans	-110.9	166.2	180	68.9	0	0	0	0	111.4	T395 E399 T400	T395-T397 HydrophobicContact CG2-CG2 4.16Å; T397-E399 PolarHBondContact O-N 3.01Å; T397-E399 VanDerWaalsContact O-N 3.16Å; T397-E399 PolarHBondContact OG1-N 2.93Å; T397-T400 PolarHBondContact N-OG1 3.04Å; T397-T400 VanDerWaalsContact O-CB 3.29Å; T397-T400 WeakPolarHBondContact O-CB 3.45Å; T397-T400 PolarHBondContact O-N 2.84Å; T397-T400 PolarHBondContact O-OG1 3.25Å; T397-T400 PolarHBondContact OG1-N 3.44Å; T397-T400 PolarHBondContact OG1-OG1 2.82Å
398	N	96.1	Very high	95.9	Very high	69 Å²	69	40.3 Å²	40.3	37%	0.369	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.4	172.7	72.8	-62.4	0	0	0	113.6	W429	N398-W429 PolarHBondContact O-NE1 2.94Å
399	E	96.7	Very high	96	Very high	106 Å²	106	37.9 Å²	37.9	50%	0.495	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.5	176.5	-60.1	-57.8	142.5	0	0	113.3	T397 F401 V402	T397-E399 PolarHBondContact O-N 3.01Å; T397-E399 VanDerWaalsContact O-N 3.16Å; T397-E399 PolarHBondContact OG1-N 2.93Å; E399-F401 VanDerWaalsContact C-N 3.31Å; E399-F401 PolarHBondContact O-N 2.04Å; E399-V402 VanDerWaalsContact O-CG1 3.29Å; E399-V402 WeakPolarHBondContact O-CG1 3.42Å; E399-V402 PolarHBondContact O-N 3.21Å
400	T	97.3	Very high	96	Very high	18 Å²	18	40.6 Å²	40.6	11%	0.11	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.3	-167.3	-64.3	0	0	0	0	113	I370 L393 L396 T397	I370-T400 HydrophobicContact CB-CG2 4.49Å; I370-T400 HydrophobicContact CD1-CG2 4.17Å; I370-T400 WeakPolarHBondContact CG2-O 3.46Å; L393-T400 HydrophobicContact CD1-CG2 4.08Å; L396-T400 HydrophobicContact CD2-CG2 4.09Å; T397-T400 PolarHBondContact N-OG1 3.04Å; T397-T400 VanDerWaalsContact O-CB 3.29Å; T397-T400 WeakPolarHBondContact O-CB 3.45Å; T397-T400 PolarHBondContact O-N 2.84Å; T397-T400 PolarHBondContact O-OG1 3.25Å; T397-T400 PolarHBondContact OG1-N 3.44Å; T397-T400 PolarHBondContact OG1-OG1 2.82Å
401	F	98.2	Very high	96.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	16	-178.4	-59.5	-71.7	0	0	0	113.8	I370 L396 E399 S403 L404 L412 L414 A426 F427	I370-F401 HydrophobicContact CD1-CD1 3.96Å; I370-F401 HydrophobicContact CD1-CE1 3.42Å; I370-F401 VanDerWaalsContact CD1-CE1 3.42Å; I370-F401 HydrophobicContact CD1-CZ 4.18Å; L396-F401 HydrophobicContact CB-CE2 4.49Å; L396-F401 HydrophobicContact CD1-CE2 4.17Å; L396-F401 HydrophobicContact CD1-CZ 4.47Å; L396-F401 HydrophobicContact CD2-CE2 4.02Å; L396-F401 HydrophobicContact CD2-CZ 3.99Å; L396-F401 HydrophobicContact CG-CE2 4.46Å; E399-F401 VanDerWaalsContact C-N 3.31Å; E399-F401 PolarHBondContact O-N 2.04Å; F401-S403 PolarHBondContact O-N 3.18Å; F401-S403 VanDerWaalsContact O-N 3.16Å; F401-L404 HydrophobicContact CB-CD1 4.37Å; F401-L404 HydrophobicContact CD1-CD1 3.94Å; F401-L404 WeakPolarHBondContact O-CB 3.46Å; F401-L404 PolarHBondContact O-N 3.21Å; F401-L412 HydrophobicContact CE1-CD2 4.33Å; F401-L414 HydrophobicContact CE1-CD1 4.37Å; F401-L414 HydrophobicContact CE1-CD2 4.11Å; F401-L414 HydrophobicContact CE2-CD1 4.36Å; F401-L414 HydrophobicContact CZ-CD1 3.66Å; F401-L414 HydrophobicContact CZ-CD2 3.9Å; F401-L414 HydrophobicContact CZ-CG 4.44Å; F401-A426 WeakPolarHBondContact CD2-O 3.25Å; F401-F427 HydrophobicContact CD2-CD1 4.1Å; F401-F427 HydrophobicContact CD2-CE1 4.23Å; F401-F427 HydrophobicContact CE2-CD1 4.01Å; F401-F427 AromaticContact CE2-CE1 3.67Å; F401-F427 HydrophobicContact CE2-CE1 3.67Å; F401-F427 HydrophobicContact CZ-CE1 4.36Å
402	V	98	Very high	96.6	Very high	37 Å²	37	41.9 Å²	41.9	22%	0.224	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.8	-32.5	-176.4	70.6	0	0	0	0	113.4	E399 L404 A405 W429	E399-V402 VanDerWaalsContact O-CG1 3.29Å; E399-V402 WeakPolarHBondContact O-CG1 3.42Å; E399-V402 PolarHBondContact O-N 3.21Å; V402-L404 PolarHBondContact O-N 3.39Å; V402-A405 VanDerWaalsContact O-CB 3.29Å; V402-A405 WeakPolarHBondContact O-CB 3.43Å; V402-A405 PolarHBondContact O-N 3.01Å; V402-W429 HydrophobicContact CG2-CD2 4.36Å; V402-W429 HydrophobicContact CG2-CH2 4.41Å; V402-W429 HydrophobicContact CG2-CZ2 3.83Å
403	S	98.3	Very high	97.4	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.063	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-68.8	-9.8	176.6	55.2	0	0	0	0	114.9	S372 F375 T376 F401	S372-S403 WeakPolarHBondContact O-CB 3.15Å; F375-S403 CarbonylContact C-O 3.05Å; F375-S403 PolarHBondContact N-OG 3.11Å; T376-S403 WeakPolarHBondContact OG1-CB 3.25Å; F401-S403 PolarHBondContact O-N 3.18Å; F401-S403 VanDerWaalsContact O-N 3.16Å
404	L	98.3	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-96.6	-1.7	175.4	-66.6	167.4	0	0	0	113.3	F375 L381 L384 F401 V402 H406 S407 L409 L430	F375-L404 HydrophobicContact CB-CD2 3.53Å; F375-L404 HydrophobicContact CB-CG 4.03Å; F375-L404 HydrophobicContact CD2-CD1 4.21Å; F375-L404 HydrophobicContact CD2-CD2 4.02Å; F375-L404 HydrophobicContact CD2-CG 3.96Å; F375-L404 HydrophobicContact CG-CD2 3.8Å; F375-L404 HydrophobicContact CG-CG 4.21Å; L381-L404 HydrophobicContact CD2-CD2 3.93Å; L384-L404 HydrophobicContact CD2-CD1 3.84Å; L384-L404 HydrophobicContact CD2-CD2 4Å; F401-L404 HydrophobicContact CB-CD1 4.37Å; F401-L404 HydrophobicContact CD1-CD1 3.94Å; F401-L404 WeakPolarHBondContact O-CB 3.46Å; F401-L404 PolarHBondContact O-N 3.21Å; V402-L404 PolarHBondContact O-N 3.39Å; L404-H406 PolarHBondContact O-N 3.05Å; L404-S407 WeakPolarHBondContact O-CB 3.42Å; L404-S407 PolarHBondContact O-N 3.19Å; L404-L409 HydrophobicContact CD1-CD2 4.21Å; L404-L430 HydrophobicContact CB-CD2 3.73Å; L404-L430 HydrophobicContact CD1-CD2 4.28Å
405	A	97.2	Very high	98	Very high	32 Å²	32	34.4 Å²	34.4	26%	0.264	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-10.6	-176.6	0	0	0	0	0	115.8	V402 W429	V402-A405 VanDerWaalsContact O-CB 3.29Å; V402-A405 WeakPolarHBondContact O-CB 3.43Å; V402-A405 PolarHBondContact O-N 3.01Å; A405-W429 HydrophobicContact CB-CB 3.93Å; A405-W429 HydrophobicContact CB-CD2 3.97Å; A405-W429 HydrophobicContact CB-CE3 3.54Å; A405-W429 HydrophobicContact CB-CG 4.16Å; A405-W429 HydrophobicContact CB-CZ3 4.35Å
406	H	97.2	Very high	98	Very high	155 Å²	155	36.3 Å²	36.3	72%	0.718	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	12.8	175.8	-58	-30.4	0	0	0	112.8	L404	L404-H406 PolarHBondContact O-N 3.05Å
407	S	98.1	Very high	97.9	Very high	11 Å²	11	36.3 Å²	36.3	8%	0.077	19%	0.19	C	C	.	.	S	Bend	trans	-96.9	132.3	174.6	-57.3	0	0	0	0	110.4	L378 L404 L409	L378-S407 PolarHBondContact O-OG 3.22Å; L404-S407 WeakPolarHBondContact O-CB 3.42Å; L404-S407 PolarHBondContact O-N 3.19Å; S407-L409 PolarHBondContact O-N 2.99Å
408	P	97.8	Very high	97.9	Very high	35 Å²	35	39.6 Å²	39.6	23%	0.227	20%	0.201	C	C	.	.			trans	-77.4	59.7	170.3	34.6	-35.9	0	0	0	110.3	I379 L381 K382 H410	I379-P408 VanDerWaalsContact O-CD 3.28Å; I379-P408 WeakPolarHBondContact O-CD 3.35Å; L381-P408 CarbonylContact O-C 3.58Å; L381-P408 VanDerWaalsContact O-O 3.13Å; K382-P408 WeakPolarHBondContact CA-O 3.46Å; P408-H410 PolarHBondContact O-CD2 3.22Å; P408-H410 PolarHBondContact O-N 3.36Å
409	L	98.6	Very high	98	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.183	C	C	.	.			trans	-79.4	116.6	-170.8	-170.6	73.7	0	0	0	110.8	L381 L384 L404 S407 L412 L430 H432 L433	L381-L409 HydrophobicContact CD2-CD1 4.18Å; L381-L409 HydrophobicContact CG-CD1 4Å; L381-L409 VanDerWaalsContact O-CA 3.26Å; L381-L409 WeakPolarHBondContact O-CA 3.33Å; L381-L409 PolarHBondContact O-N 3.46Å; L384-L409 HydrophobicContact CB-CD1 3.66Å; L384-L409 HydrophobicContact CB-CD2 4.41Å; L404-L409 HydrophobicContact CD1-CD2 4.21Å; S407-L409 PolarHBondContact O-N 2.99Å; L409-L412 HydrophobicContact CD2-CB 4.07Å; L409-L412 HydrophobicContact CD2-CD1 4.44Å; L409-L412 HydrophobicContact CD2-CD2 4.39Å; L409-L430 HydrophobicContact CD2-CD2 4.26Å; L409-H432 CarbonylContact O-C 3.5Å; L409-H432 VanDerWaalsContact O-C 3.24Å; L409-L433 HydrophobicContact CD2-CD1 4.15Å; L409-L433 HydrophobicContact CG-CD1 4.09Å; L409-L433 WeakPolarHBondContact O-CA 3.41Å; L409-L433 PolarHBondContact O-N 3.06Å
410	H	98.6	Very high	98	Very high	58 Å²	58	33.3 Å²	33.3	27%	0.269	17%	0.174	S	C	.	.			trans	-96.1	-33.9	178	-61.3	-98.5	0	0	0	112.4	K382 P408 L433 E434 V435	K382-H410 PolarHBondContact O-N 2.68Å; P408-H410 PolarHBondContact O-CD2 3.22Å; P408-H410 PolarHBondContact O-N 3.36Å; H410-L433 WeakPolarHBondContact O-CD1 3.41Å; H410-E434 HydrophobicContact CB-CG 4.47Å; H410-E434 IonicContact CE1-OE1 3.39Å; H410-E434 IonicContact CG-OE1 2.66Å; H410-E434 IonicContact ND1-OE1 3.59Å; H410-E434 PolarHBondContact ND1-OE1 3.2Å; H410-E434 PolarHBondContact O-N 2.64Å; H410-V435 PolarHBondContact O-N 2.84Å
411	I	98.9	Very high	98.1	Very high	62 Å²	62	36.9 Å²	36.9	32%	0.318	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.4	-175.5	-59.9	171	0	0	0	111	K382 Y383 L384 V435	K382-I411 PolarHBondContact O-N 3.47Å; Y383-I411 HydrophobicContact CD2-CB 3.75Å; Y383-I411 HydrophobicContact CD2-CD1 3.99Å; Y383-I411 HydrophobicContact CD2-CG1 4.44Å; Y383-I411 HydrophobicContact CD2-CG2 3.66Å; Y383-I411 HydrophobicContact CE2-CB 4.34Å; Y383-I411 HydrophobicContact CE2-CG2 3.72Å; L384-I411 PolarHBondContact N-O 3.36Å; I411-V435 HydrophobicContact CG1-CB 4.09Å; I411-V435 HydrophobicContact CG1-CG2 4.13Å; I411-V435 HydrophobicContact CG2-CB 4.32Å
412	L	98.9	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115	176.8	178.6	55.1	0	0	0	111	L384 L386 F401 L409 L414 L430 L433 V435 L436 D437	L384-L412 HydrophobicContact CB-CD1 4.28Å; L384-L412 HydrophobicContact CD2-CD1 4.14Å; L384-L412 HydrophobicContact CG-CD1 4.17Å; L384-L412 WeakPolarHBondContact O-CA 3.31Å; L386-L412 HydrophobicContact CD1-CD1 4.22Å; F401-L412 HydrophobicContact CE1-CD2 4.33Å; L409-L412 HydrophobicContact CD2-CB 4.07Å; L409-L412 HydrophobicContact CD2-CD1 4.44Å; L409-L412 HydrophobicContact CD2-CD2 4.39Å; L412-L414 HydrophobicContact CD1-CD2 4.39Å; L412-L414 HydrophobicContact CD1-CG 4.18Å; L412-L414 HydrophobicContact CD2-CD1 3.96Å; L412-L414 HydrophobicContact CD2-CG 4.41Å; L412-L414 HydrophobicContact CG-CD1 4.06Å; L412-L414 HydrophobicContact CG-CG 4.02Å; L412-L430 HydrophobicContact CD2-CD1 3.63Å; L412-L433 HydrophobicContact CB-CD1 3.69Å; L412-L433 HydrophobicContact CB-CD2 4.33Å; L412-V435 PolarHBondContact N-O 3.09Å; L412-L436 HydrophobicContact CB-CD1 4.42Å; L412-L436 HydrophobicContact CD2-CD1 4.22Å; L412-L436 HydrophobicContact CG-CD1 4.32Å; L412-D437 PolarHBondContact O-N 2.81Å
413	N	98.9	Very high	98.1	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.16	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.7	172.8	-162.6	-64.2	0	0	0	111.3	L384 L386 T415 D437	L384-N413 PolarHBondContact O-N 2.97Å; L386-N413 CarbonylContact C-O 3.45Å; L386-N413 VanDerWaalsContact CA-O 3.3Å; L386-N413 WeakPolarHBondContact CA-O 3.01Å; L386-N413 WeakPolarHBondContact CB-O 3.24Å; L386-N413 PolarHBondContact N-O 2.96Å; N413-T415 WeakPolarHBondContact OD1-CB 3.31Å; N413-T415 WeakPolarHBondContact OD1-CG2 3.36Å; N413-T415 PolarHBondContact OD1-N 2.88Å; N413-T415 PolarHBondContact OD1-OG1 2.81Å; N413-D437 PolarHBondContact ND2-OD2 3.05Å
414	L	98.6	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.			trans	-122.6	17.6	-179.4	-71.9	167	0	0	0	112.5	L386 L393 L396 F401 L412 N417 I419 F427 L436 D437 L438 N441	L386-L414 HydrophobicContact CB-CD2 4.26Å; L386-L414 HydrophobicContact CD1-CD2 4.01Å; L393-L414 HydrophobicContact CD2-CD2 4.36Å; L396-L414 HydrophobicContact CD1-CD1 4.29Å; F401-L414 HydrophobicContact CE1-CD1 4.37Å; F401-L414 HydrophobicContact CE1-CD2 4.11Å; F401-L414 HydrophobicContact CE2-CD1 4.36Å; F401-L414 HydrophobicContact CZ-CD1 3.66Å; F401-L414 HydrophobicContact CZ-CD2 3.9Å; F401-L414 HydrophobicContact CZ-CG 4.44Å; L412-L414 HydrophobicContact CD1-CD2 4.39Å; L412-L414 HydrophobicContact CD1-CG 4.18Å; L412-L414 HydrophobicContact CD2-CD1 3.96Å; L412-L414 HydrophobicContact CD2-CG 4.41Å; L412-L414 HydrophobicContact CG-CD1 4.06Å; L412-L414 HydrophobicContact CG-CG 4.02Å; L414-N417 PolarHBondContact O-ND2 3.43Å; L414-I419 HydrophobicContact CB-CD1 3.96Å; L414-F427 HydrophobicContact CD1-CE1 4.03Å; L414-L436 HydrophobicContact CD1-CD1 4.17Å; L414-D437 CarbonylContact C-O 3.51Å; L414-D437 WeakPolarHBondContact CA-O 3.45Å; L414-D437 WeakPolarHBondContact CB-O 3.21Å; L414-D437 PolarHBondContact N-O 3.09Å; L414-L438 HydrophobicContact CB-CD2 4.02Å; L414-L438 HydrophobicContact CD1-CD2 3.82Å; L414-N441 PolarHBondContact O-ND2 3.37Å
415	T	98.6	Very high	98	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.043	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	153.8	-176.8	57.2	0	0	0	0	113.5	S387 N388 N413 N417 D437 G439	S387-T415 CarbonylContact C-O 3.26Å; S387-T415 WeakPolarHBondContact CA-O 3.46Å; S387-T415 VanDerWaalsContact CB-OG1 3.31Å; S387-T415 WeakPolarHBondContact CB-OG1 3.25Å; S387-T415 PolarHBondContact OG-OG1 3.03Å; N388-T415 PolarHBondContact N-O 3.04Å; N413-T415 WeakPolarHBondContact OD1-CB 3.31Å; N413-T415 WeakPolarHBondContact OD1-CG2 3.36Å; N413-T415 PolarHBondContact OD1-N 2.88Å; N413-T415 PolarHBondContact OD1-OG1 2.81Å; T415-N417 PolarHBondContact O-N 3.04Å; T415-N417 PolarHBondContact O-ND2 3.15Å; T415-D437 HydrophobicContact CG2-CB 4.3Å; T415-D437 WeakPolarHBondContact CG2-OD1 3.36Å; T415-D437 WeakPolarHBondContact CG2-OD2 3.15Å; T415-G439 WeakPolarHBondContact CA-O 3.42Å; T415-G439 VanDerWaalsContact CB-O 3.3Å; T415-G439 WeakPolarHBondContact CB-O 3.39Å; T415-G439 VanDerWaalsContact CG2-O 3.32Å; T415-G439 WeakPolarHBondContact CG2-O 3.34Å
416	K	97.6	Very high	98	Very high	95 Å²	95	40.4 Å²	40.4	41%	0.413	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	9.8	171.7	-51	166.3	-162.5	139.9	0	116.1	S387 N388 K418 L440	S387-K416 PolarHBondContact OG-NZ 2.72Å; N388-K416 HydrophobicContact CB-CB 3.88Å; N388-K416 HydrophobicContact CB-CD 4.24Å; K416-K418 PolarHBondContact O-N 3.12Å; K416-L440 WeakPolarHBondContact CA-O 3.23Å; K416-L440 HydrophobicContact CG-CB 3.96Å; K416-L440 HydrophobicContact CG-CD1 4.28Å; K416-L440 PolarHBondContact N-O 3.38Å; K416-L440 VanDerWaalsContact N-O 3.12Å
417	N	97.6	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-81.1	2	179	-72	-54.7	0	0	0	114.2	L386 S389 F390 L414 T415 I419 N441	L386-N417 PolarHBondContact O-ND2 3.09Å; L386-N417 PolarHBondContact O-OD1 2.94Å; S389-N417 PolarHBondContact N-OD1 3.34Å; F390-N417 WeakPolarHBondContact CD2-OD1 3.27Å; F390-N417 PolarHBondContact N-OD1 2.82Å; F390-N417 VanDerWaalsContact N-OD1 3.15Å; L414-N417 PolarHBondContact O-ND2 3.43Å; T415-N417 PolarHBondContact O-N 3.04Å; T415-N417 PolarHBondContact O-ND2 3.15Å; N417-I419 HydrophobicContact CB-CD1 4.05Å; N417-I419 HydrophobicContact CB-CG1 3.99Å; N417-I419 PolarHBondContact O-N 2.88Å; N417-N441 PolarHBondContact N-OD1 3.32Å
418	K	96.6	Very high	98	Very high	106 Å²	106	34.8 Å²	34.8	46%	0.461	19%	0.185	S	C	.	.			trans	59	32.6	-176.9	-48.3	167.5	-164.9	155.4	0	112.1	K416 S420 N441 E442	K416-K418 PolarHBondContact O-N 3.12Å; K418-S420 PolarHBondContact O-N 2.86Å; K418-N441 PolarHBondContact N-OD1 3.36Å; K418-E442 HydrophobicContact CB-CG 4.5Å
419	I	98.4	Very high	98	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.			trans	-60	129.6	172	-61.9	155.8	0	0	0	107.3	L393 L396 L414 N417 I422 L438 N441 E442 I443	L393-I419 HydrophobicContact CD2-CD1 4.48Å; L393-I419 HydrophobicContact CD2-CG1 4.43Å; L393-I419 HydrophobicContact CG-CG1 4.5Å; L393-I419 WeakPolarHBondContact O-CA 3.3Å; L393-I419 VanDerWaalsContact O-CG1 3.25Å; L393-I419 WeakPolarHBondContact O-CG1 3.44Å; L396-I419 HydrophobicContact CD1-CD1 4.16Å; L396-I419 HydrophobicContact CD1-CG2 4.14Å; L396-I419 HydrophobicContact CD2-CD1 4.27Å; L396-I419 HydrophobicContact CD2-CG1 4.3Å; L396-I419 HydrophobicContact CG-CD1 4.45Å; L396-I419 HydrophobicContact CG-CG1 4.48Å; L396-I419 HydrophobicContact CG-CG2 3.9Å; L414-I419 HydrophobicContact CB-CD1 3.96Å; N417-I419 HydrophobicContact CB-CD1 4.05Å; N417-I419 HydrophobicContact CB-CG1 3.99Å; N417-I419 PolarHBondContact O-N 2.88Å; I419-I422 HydrophobicContact CG2-CG1 4.45Å; I419-L438 HydrophobicContact CD1-CD2 4.19Å; I419-N441 HydrophobicContact CB-CB 4.27Å; I419-N441 PolarHBondContact N-OD1 2.92Å; I419-N441 VanDerWaalsContact N-OD1 3.08Å; I419-E442 CarbonylContact O-C 3.59Å; I419-E442 WeakPolarHBondContact O-CA 3.24Å; I419-E442 PolarHBondContact O-N 3.26Å; I419-I443 HydrophobicContact CB-CG1 4.37Å; I419-I443 HydrophobicContact CG2-CD1 4.36Å; I419-I443 HydrophobicContact CG2-CG1 4.02Å; I419-I443 WeakPolarHBondContact O-CG1 3.26Å; I419-I443 PolarHBondContact O-N 2.77Å
420	S	97.6	Very high	98	Very high	44 Å²	44	38.2 Å²	38.2	31%	0.308	19%	0.193	S	C	.	.			trans	-116	-23	-177.1	65.9	0	0	0	0	113.4	Q394 K418 I443 G444	Q394-S420 PolarHBondContact O-N 2.99Å; Q394-S420 PolarHBondContact O-OG 3.05Å; K418-S420 PolarHBondContact O-N 2.86Å; S420-I443 WeakPolarHBondContact O-CA 3.43Å; S420-G444 PolarHBondContact O-N 3.16Å; S420-G444 VanDerWaalsContact O-N 3.08Å
421	K	98.3	Very high	97.9	Very high	93 Å²	93	36.5 Å²	36.5	40%	0.404	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.2	178.7	-169.6	-173.6	-178.5	-162.9	0	111.7	Q394 T395 L396 E423	Q394-K421 PolarHBondContact O-N 2.95Å; T395-K421 CarbonylContact C-O 3.56Å; T395-K421 WeakPolarHBondContact CA-O 3.31Å; T395-K421 HydrophobicContact CG2-CB 4.22Å; T395-K421 HydrophobicContact CG2-CD 4.27Å; T395-K421 HydrophobicContact CG2-CG 4.48Å; L396-K421 PolarHBondContact N-O 2.86Å; K421-E423 HydrophobicContact CD-CG 4.13Å; K421-E423 WeakPolarHBondContact CE-OE1 3.14Å; K421-E423 HydrophobicContact CG-CG 4.4Å; K421-E423 IonicContact NZ-OE1 2.72Å; K421-E423 PolarHBondContact NZ-OE1 3.35Å
422	I	98.6	Very high	97.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.6	168.3	-48.2	-177.6	0	0	0	107.3	L396 I419 A426 F427 L438 I443 Q445 E451 W452	L396-I422 HydrophobicContact CB-CG2 4.34Å; L396-I422 HydrophobicContact CD1-CG1 4.2Å; I419-I422 HydrophobicContact CG2-CG1 4.45Å; I422-A426 HydrophobicContact CG2-CB 3.78Å; I422-F427 HydrophobicContact CD1-CE2 4.3Å; I422-F427 HydrophobicContact CD1-CZ 4.38Å; I422-F427 HydrophobicContact CG2-CE2 3.8Å; I422-F427 HydrophobicContact CG2-CZ 4.24Å; I422-L438 HydrophobicContact CD1-CD1 3.69Å; I422-L438 HydrophobicContact CD1-CD2 4.24Å; I422-I443 HydrophobicContact CD1-CD1 3.95Å; I422-I443 HydrophobicContact CG1-CD1 4.36Å; I422-Q445 PolarHBondContact O-NE2 3.35Å; I422-Q445 VanDerWaalsContact O-NE2 3.1Å; I422-Q445 PolarHBondContact O-OE1 2.89Å; I422-E451 HydrophobicContact CB-CG 4.24Å; I422-E451 HydrophobicContact CG2-CB 3.89Å; I422-E451 HydrophobicContact CG2-CG 4.1Å; I422-W452 HydrophobicContact CD1-CH2 4.44Å
423	E	98.1	Very high	97.8	Very high	65 Å²	65	38.8 Å²	38.8	30%	0.304	20%	0.2	S	C	.	.			trans	-102.5	169.5	179.9	-54.8	-162.7	139.3	0	0	112.4	T395 L396 K421 G425 A426	T395-E423 HydrophobicContact CG2-CG 3.81Å; L396-E423 WeakPolarHBondContact O-CB 3.16Å; L396-E423 PolarHBondContact O-N 3.46Å; K421-E423 HydrophobicContact CD-CG 4.13Å; K421-E423 WeakPolarHBondContact CE-OE1 3.14Å; K421-E423 HydrophobicContact CG-CG 4.4Å; K421-E423 IonicContact NZ-OE1 2.72Å; K421-E423 PolarHBondContact NZ-OE1 3.35Å; E423-G425 PolarHBondContact O-N 2.85Å; E423-A426 WeakPolarHBondContact O-CB 3.3Å; E423-A426 PolarHBondContact O-N 2.94Å
424	S	97.8	Very high	97.8	Very high	75 Å²	75	41.3 Å²	41.3	52%	0.524	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	130.6	-180	-176.9	0	0	0	0	111.8	A426 Q450	S424-A426 VanDerWaalsContact C-N 3.26Å; S424-A426 PolarHBondContact O-N 2.96Å; S424-Q450 WeakPolarHBondContact OG-CB 3.45Å
425	G	96.2	Very high	97.8	Very high	9 Å²	9	42.7 Å²	42.7	9%	0.093	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	15.6	176.5	0	0	0	0	0	115.5	E423 F427 S428 Q450	E423-G425 PolarHBondContact O-N 2.85Å; G425-F427 PolarHBondContact O-N 3.16Å; G425-F427 VanDerWaalsContact O-N 3.14Å; G425-S428 VanDerWaalsContact O-CB 3.3Å; G425-S428 WeakPolarHBondContact O-CB 3.32Å; G425-S428 PolarHBondContact O-N 3.28Å; G425-S428 PolarHBondContact O-OG 3.03Å; G425-Q450 PolarHBondContact N-O 3.41Å
426	A	98.1	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.2	-179.9	0	0	0	0	0	113.5	L396 F401 I422 E423 S424	L396-A426 HydrophobicContact CB-CB 4.11Å; F401-A426 WeakPolarHBondContact CD2-O 3.25Å; I422-A426 HydrophobicContact CG2-CB 3.78Å; E423-A426 WeakPolarHBondContact O-CB 3.3Å; E423-A426 PolarHBondContact O-N 2.94Å; S424-A426 VanDerWaalsContact C-N 3.26Å; S424-A426 PolarHBondContact O-N 2.96Å
427	F	98.1	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.2	-179.6	-50.7	-67.1	0	0	0	114.3	L396 F401 L414 I422 G425 W429 L430 L436 L438 E451 W452 L455	L396-F427 HydrophobicContact CD1-CE1 3.94Å; L396-F427 HydrophobicContact CD1-CZ 3.6Å; F401-F427 HydrophobicContact CD2-CD1 4.1Å; F401-F427 HydrophobicContact CD2-CE1 4.23Å; F401-F427 HydrophobicContact CE2-CD1 4.01Å; F401-F427 AromaticContact CE2-CE1 3.67Å; F401-F427 HydrophobicContact CE2-CE1 3.67Å; F401-F427 HydrophobicContact CZ-CE1 4.36Å; L414-F427 HydrophobicContact CD1-CE1 4.03Å; I422-F427 HydrophobicContact CD1-CE2 4.3Å; I422-F427 HydrophobicContact CD1-CZ 4.38Å; I422-F427 HydrophobicContact CG2-CE2 3.8Å; I422-F427 HydrophobicContact CG2-CZ 4.24Å; G425-F427 PolarHBondContact O-N 3.16Å; G425-F427 VanDerWaalsContact O-N 3.14Å; F427-W429 PolarHBondContact O-N 2.75Å; F427-L430 HydrophobicContact CB-CD1 4.32Å; F427-L430 HydrophobicContact CD1-CD1 4.06Å; F427-L430 WeakPolarHBondContact O-CB 3.36Å; F427-L430 PolarHBondContact O-N 3.15Å; F427-L436 HydrophobicContact CD1-CD1 4.49Å; F427-L436 HydrophobicContact CD1-CD2 4.34Å; F427-L436 HydrophobicContact CD2-CD2 3.96Å; F427-L436 HydrophobicContact CE1-CD1 4.08Å; F427-L436 HydrophobicContact CE1-CD2 4.25Å; F427-L436 HydrophobicContact CE2-CD2 3.87Å; F427-L436 HydrophobicContact CG-CD2 4.2Å; F427-L436 HydrophobicContact CZ-CD1 4.35Å; F427-L436 HydrophobicContact CZ-CD2 4.02Å; F427-L438 HydrophobicContact CE2-CD1 4.15Å; F427-L438 HydrophobicContact CZ-CD1 3.91Å; F427-L438 HydrophobicContact CZ-CD2 4.08Å; F427-E451 WeakPolarHBondContact CD2-O 3.44Å; F427-W452 HydrophobicContact CD2-CE3 4.1Å; F427-W452 HydrophobicContact CD2-CZ3 4.24Å; F427-W452 HydrophobicContact CE2-CE3 4.13Å; F427-W452 AromaticContact CE2-CZ3 3.82Å; F427-W452 HydrophobicContact CE2-CZ3 3.82Å; F427-L455 HydrophobicContact CB-CD1 4.05Å; F427-L455 HydrophobicContact CB-CD2 3.85Å; F427-L455 HydrophobicContact CB-CG 3.96Å; F427-L455 HydrophobicContact CD2-CD1 4.26Å; F427-L455 HydrophobicContact CG-CD1 4.41Å
428	S	97.3	Very high	97.9	Very high	48 Å²	48	39.2 Å²	39.2	34%	0.336	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.9	-172.8	56.9	0	0	0	0	115.6	G425 L430 S453	G425-S428 VanDerWaalsContact O-CB 3.3Å; G425-S428 WeakPolarHBondContact O-CB 3.32Å; G425-S428 PolarHBondContact O-N 3.28Å; G425-S428 PolarHBondContact O-OG 3.03Å; S428-L430 VanDerWaalsContact C-N 3.33Å; S428-S453 WeakPolarHBondContact CA-O 3.44Å; S428-S453 WeakPolarHBondContact CB-O 3.28Å; S428-S453 PolarHBondContact N-O 3.17Å
429	W	97.5	Very high	98	Very high	105 Å²	105	34.4 Å²	34.4	40%	0.398	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.8	174.7	-55.3	110.7	0	0	0	114.3	N398 V402 A405 F427	N398-W429 PolarHBondContact O-NE1 2.94Å; V402-W429 HydrophobicContact CG2-CD2 4.36Å; V402-W429 HydrophobicContact CG2-CH2 4.41Å; V402-W429 HydrophobicContact CG2-CZ2 3.83Å; A405-W429 HydrophobicContact CB-CB 3.93Å; A405-W429 HydrophobicContact CB-CD2 3.97Å; A405-W429 HydrophobicContact CB-CE3 3.54Å; A405-W429 HydrophobicContact CB-CG 4.16Å; A405-W429 HydrophobicContact CB-CZ3 4.35Å; F427-W429 PolarHBondContact O-N 2.75Å
430	L	97.7	Very high	98	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.207	C	C	.	.			trans	-109.4	46.1	-165.7	-52.5	-178.8	0	0	0	112.9	L404 L409 L412 F427 S428 H432 L433 L455	L404-L430 HydrophobicContact CB-CD2 3.73Å; L404-L430 HydrophobicContact CD1-CD2 4.28Å; L409-L430 HydrophobicContact CD2-CD2 4.26Å; L412-L430 HydrophobicContact CD2-CD1 3.63Å; F427-L430 HydrophobicContact CB-CD1 4.32Å; F427-L430 HydrophobicContact CD1-CD1 4.06Å; F427-L430 WeakPolarHBondContact O-CB 3.36Å; F427-L430 PolarHBondContact O-N 3.15Å; S428-L430 VanDerWaalsContact C-N 3.33Å; L430-H432 PolarHBondContact O-N 2.98Å; L430-L433 HydrophobicContact CB-CB 4.08Å; L430-L433 HydrophobicContact CB-CD2 4.39Å; L430-L433 HydrophobicContact CD1-CD2 4.18Å; L430-L433 WeakPolarHBondContact O-CB 3.14Å; L430-L433 PolarHBondContact O-N 2.97Å; L430-L455 HydrophobicContact CB-CD2 4.29Å
431	G	95.9	Very high	98	Very high	22 Å²	22	37 Å²	37	23%	0.227	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.4	-172.6	0	0	0	0	0	116.5	G454 N457	G431-G454 WeakPolarHBondContact CA-O 3.42Å; G431-N457 PolarHBondContact O-ND2 3.1Å
432	H	97.6	Very high	98	Very high	109 Å²	109	36.9 Å²	36.9	51%	0.505	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1	176.8	-59.5	103.3	0	0	0	113.9	L409 L430 E434	L409-H432 CarbonylContact O-C 3.5Å; L409-H432 VanDerWaalsContact O-C 3.24Å; L430-H432 PolarHBondContact O-N 2.98Å; H432-E434 PolarHBondContact O-N 2.72Å
433	L	98.6	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.			trans	-73.2	124.3	-171.8	-165.9	76	0	0	0	111.7	L409 H410 L412 L430 L436 L455 N457 I458	L409-L433 HydrophobicContact CD2-CD1 4.15Å; L409-L433 HydrophobicContact CG-CD1 4.09Å; L409-L433 WeakPolarHBondContact O-CA 3.41Å; L409-L433 PolarHBondContact O-N 3.06Å; H410-L433 WeakPolarHBondContact O-CD1 3.41Å; L412-L433 HydrophobicContact CB-CD1 3.69Å; L412-L433 HydrophobicContact CB-CD2 4.33Å; L430-L433 HydrophobicContact CB-CB 4.08Å; L430-L433 HydrophobicContact CB-CD2 4.39Å; L430-L433 HydrophobicContact CD1-CD2 4.18Å; L430-L433 WeakPolarHBondContact O-CB 3.14Å; L430-L433 PolarHBondContact O-N 2.97Å; L433-L436 HydrophobicContact CD2-CB 3.86Å; L433-L436 HydrophobicContact CD2-CD1 4.13Å; L433-L436 HydrophobicContact CD2-CD2 4.38Å; L433-L436 HydrophobicContact CD2-CG 4.34Å; L433-L455 HydrophobicContact CB-CD2 4.03Å; L433-L455 HydrophobicContact CD2-CD2 3.9Å; L433-N457 CarbonylContact O-C 3.23Å; L433-I458 HydrophobicContact CD2-CD1 4.27Å; L433-I458 HydrophobicContact CG-CD1 4.25Å; L433-I458 WeakPolarHBondContact O-CA 3.28Å; L433-I458 PolarHBondContact O-N 2.93Å
434	E	98.6	Very high	98	Very high	83 Å²	83	34.5 Å²	34.5	39%	0.388	19%	0.19	S	C	.	.			trans	-100.3	-38.7	179.2	-68.1	170.7	-159.3	0	0	111.6	H410 H432 I458 F459 E460	H410-E434 HydrophobicContact CB-CG 4.47Å; H410-E434 IonicContact CE1-OE1 3.39Å; H410-E434 IonicContact CG-OE1 2.66Å; H410-E434 IonicContact ND1-OE1 3.59Å; H410-E434 PolarHBondContact ND1-OE1 3.2Å; H410-E434 PolarHBondContact O-N 2.64Å; H432-E434 PolarHBondContact O-N 2.72Å; E434-I458 WeakPolarHBondContact O-CD1 3.3Å; E434-F459 HydrophobicContact CB-CB 4.4Å; E434-F459 WeakPolarHBondContact O-CA 3.25Å; E434-F459 WeakPolarHBondContact O-CB 3.16Å; E434-F459 PolarHBondContact O-N 2.75Å; E434-E460 PolarHBondContact O-N 2.94Å
435	V	98.9	Very high	98	Very high	29 Å²	29	32 Å²	32	18%	0.176	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.9	-177.5	-171.8	0	0	0	0	111	H410 I411 L412 E460	H410-V435 PolarHBondContact O-N 2.84Å; I411-V435 HydrophobicContact CG1-CB 4.09Å; I411-V435 HydrophobicContact CG1-CG2 4.13Å; I411-V435 HydrophobicContact CG2-CB 4.32Å; L412-V435 PolarHBondContact N-O 3.09Å; V435-E460 WeakPolarHBondContact CA-O 3.27Å; V435-E460 HydrophobicContact CG1-CB 4.36Å; V435-E460 HydrophobicContact CG1-CG 4.36Å; V435-E460 HydrophobicContact CG2-CB 4.39Å
436	L	98.9	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.2	176.8	178.3	55.6	0	0	0	110.2	L412 L414 F427 L433 L438 W452 L455 I458 E460 I461 Y462	L412-L436 HydrophobicContact CB-CD1 4.42Å; L412-L436 HydrophobicContact CD2-CD1 4.22Å; L412-L436 HydrophobicContact CG-CD1 4.32Å; L414-L436 HydrophobicContact CD1-CD1 4.17Å; F427-L436 HydrophobicContact CD1-CD1 4.49Å; F427-L436 HydrophobicContact CD1-CD2 4.34Å; F427-L436 HydrophobicContact CD2-CD2 3.96Å; F427-L436 HydrophobicContact CE1-CD1 4.08Å; F427-L436 HydrophobicContact CE1-CD2 4.25Å; F427-L436 HydrophobicContact CE2-CD2 3.87Å; F427-L436 HydrophobicContact CG-CD2 4.2Å; F427-L436 HydrophobicContact CZ-CD1 4.35Å; F427-L436 HydrophobicContact CZ-CD2 4.02Å; L433-L436 HydrophobicContact CD2-CB 3.86Å; L433-L436 HydrophobicContact CD2-CD1 4.13Å; L433-L436 HydrophobicContact CD2-CD2 4.38Å; L433-L436 HydrophobicContact CD2-CG 4.34Å; L436-L438 HydrophobicContact CD1-CD1 4.31Å; L436-L438 HydrophobicContact CD1-CG 4.13Å; L436-L438 HydrophobicContact CD2-CD1 3.91Å; L436-L438 HydrophobicContact CG-CD1 3.92Å; L436-L438 HydrophobicContact CG-CG 4.11Å; L436-W452 HydrophobicContact CD2-CE3 4.29Å; L436-W452 HydrophobicContact CD2-CZ3 3.91Å; L436-L455 HydrophobicContact CD2-CD1 3.94Å; L436-I458 HydrophobicContact CB-CD1 3.88Å; L436-E460 PolarHBondContact N-O 3.04Å; L436-I461 HydrophobicContact CB-CG1 4.48Å; L436-I461 WeakPolarHBondContact O-CA 3.48Å; L436-Y462 PolarHBondContact O-N 3.42Å
437	D	98.8	Very high	98.1	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.16	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.3	178.5	-175.1	6.1	0	0	0	112.2	L412 N413 L414 T415 G439 Y462	L412-D437 PolarHBondContact O-N 2.81Å; N413-D437 PolarHBondContact ND2-OD2 3.05Å; L414-D437 CarbonylContact C-O 3.51Å; L414-D437 WeakPolarHBondContact CA-O 3.45Å; L414-D437 WeakPolarHBondContact CB-O 3.21Å; L414-D437 PolarHBondContact N-O 3.09Å; T415-D437 HydrophobicContact CG2-CB 4.3Å; T415-D437 WeakPolarHBondContact CG2-OD1 3.36Å; T415-D437 WeakPolarHBondContact CG2-OD2 3.15Å; D437-G439 PolarHBondContact OD1-N 3.17Å; D437-Y462 HydrophobicContact CB-CD2 4.38Å; D437-Y462 VanDerWaalsContact OD1-CB 3.28Å; D437-Y462 WeakPolarHBondContact OD1-CB 3.26Å
438	L	98.7	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.			trans	-107.2	10.4	177.2	-71.1	160.7	0	0	0	112.1	L396 L414 I419 I422 F427 L436 N441 I443 W452 Y462 L463 N466	L396-L438 HydrophobicContact CD1-CD2 3.97Å; L414-L438 HydrophobicContact CB-CD2 4.02Å; L414-L438 HydrophobicContact CD1-CD2 3.82Å; I419-L438 HydrophobicContact CD1-CD2 4.19Å; I422-L438 HydrophobicContact CD1-CD1 3.69Å; I422-L438 HydrophobicContact CD1-CD2 4.24Å; F427-L438 HydrophobicContact CE2-CD1 4.15Å; F427-L438 HydrophobicContact CZ-CD1 3.91Å; F427-L438 HydrophobicContact CZ-CD2 4.08Å; L436-L438 HydrophobicContact CD1-CD1 4.31Å; L436-L438 HydrophobicContact CD1-CG 4.13Å; L436-L438 HydrophobicContact CD2-CD1 3.91Å; L436-L438 HydrophobicContact CG-CD1 3.92Å; L436-L438 HydrophobicContact CG-CG 4.11Å; L438-N441 PolarHBondContact O-ND2 3.05Å; L438-I443 HydrophobicContact CB-CD1 4.25Å; L438-W452 HydrophobicContact CD1-CH2 3.96Å; L438-W452 HydrophobicContact CD1-CZ3 3.81Å; L438-Y462 CarbonylContact C-O 3.58Å; L438-Y462 WeakPolarHBondContact CA-O 3.36Å; L438-Y462 WeakPolarHBondContact CB-O 3.19Å; L438-Y462 PolarHBondContact N-O 2.85Å; L438-L463 HydrophobicContact CB-CD2 3.96Å; L438-L463 HydrophobicContact CD1-CD2 4.19Å; L438-N466 PolarHBondContact O-ND2 2.98Å
439	G	98.1	Very high	98.1	Very high	4 Å²	4	36 Å²	36	4%	0.041	19%	0.186	C	C	.	.			trans	-66.4	169.2	-177.6	0	0	0	0	0	114.3	T415 D437 N441 Y462 S464	T415-G439 WeakPolarHBondContact CA-O 3.42Å; T415-G439 VanDerWaalsContact CB-O 3.3Å; T415-G439 WeakPolarHBondContact CB-O 3.39Å; T415-G439 VanDerWaalsContact CG2-O 3.32Å; T415-G439 WeakPolarHBondContact CG2-O 3.34Å; D437-G439 PolarHBondContact OD1-N 3.17Å; G439-N441 PolarHBondContact O-N 2.86Å; G439-N441 PolarHBondContact O-ND2 2.89Å; G439-N441 VanDerWaalsContact O-ND2 3.13Å; G439-Y462 PolarHBondContact N-O 3.34Å; G439-S464 CarbonylContact C-O 3.5Å; G439-S464 WeakPolarHBondContact CA-O 3.3Å
440	L	98.3	Very high	98.1	Very high	86 Å²	86	35.4 Å²	35.4	45%	0.45	19%	0.187	S	C	.	.	S	Bend	trans	53	39.4	178.2	-61.4	164.8	0	0	0	113.1	K416 S464 Y465	K416-L440 WeakPolarHBondContact CA-O 3.23Å; K416-L440 HydrophobicContact CG-CB 3.96Å; K416-L440 HydrophobicContact CG-CD1 4.28Å; K416-L440 PolarHBondContact N-O 3.38Å; K416-L440 VanDerWaalsContact N-O 3.12Å; L440-S464 PolarHBondContact N-O 3.01Å; L440-Y465 VanDerWaalsContact CA-O 3.29Å; L440-Y465 WeakPolarHBondContact CA-O 3.35Å; L440-Y465 HydrophobicContact CD2-CD2 4.11Å; L440-Y465 HydrophobicContact CD2-CG 3.92Å; L440-Y465 PolarHBondContact N-O 2.78Å
441	N	98.4	Very high	98.2	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.064	19%	0.187	C	C	.	.	S	Bend	trans	-116.9	-171.9	178.3	-84.7	-63.4	0	0	0	110.4	L414 N417 K418 I419 L438 G439 I443 Y465 N466	L414-N441 PolarHBondContact O-ND2 3.37Å; N417-N441 PolarHBondContact N-OD1 3.32Å; K418-N441 PolarHBondContact N-OD1 3.36Å; I419-N441 HydrophobicContact CB-CB 4.27Å; I419-N441 PolarHBondContact N-OD1 2.92Å; I419-N441 VanDerWaalsContact N-OD1 3.08Å; L438-N441 PolarHBondContact O-ND2 3.05Å; G439-N441 PolarHBondContact O-N 2.86Å; G439-N441 PolarHBondContact O-ND2 2.89Å; G439-N441 VanDerWaalsContact O-ND2 3.13Å; N441-I443 HydrophobicContact CB-CD1 4.36Å; N441-I443 HydrophobicContact CB-CG1 4.19Å; N441-Y465 PolarHBondContact N-O 3.01Å; N441-N466 WeakPolarHBondContact CA-OD1 3.46Å; N441-N466 WeakPolarHBondContact CB-OD1 3.45Å; N441-N466 PolarHBondContact O-OD1 2.87Å
442	E	97.9	Very high	98.3	Very high	91 Å²	91	34.4 Å²	34.4	43%	0.425	18%	0.176	S	C	.	.			trans	-110.7	22.5	-178	-64.6	-168.6	-139.6	0	0	112.5	K418 I419 G444 N466 K467	K418-E442 HydrophobicContact CB-CG 4.5Å; I419-E442 CarbonylContact O-C 3.59Å; I419-E442 WeakPolarHBondContact O-CA 3.24Å; I419-E442 PolarHBondContact O-N 3.26Å; E442-G444 PolarHBondContact O-N 3.31Å; E442-N466 PolarHBondContact N-OD1 3.28Å; E442-K467 VanDerWaalsContact O-CB 3.31Å; E442-K467 WeakPolarHBondContact O-CB 3.35Å; E442-K467 WeakPolarHBondContact O-CD 3.32Å
443	I	98.6	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.			trans	-60.6	124.2	-171	-58.7	165.7	0	0	0	109.9	I419 S420 I422 L438 N441 Q445 L463 N466 K467 Y468 L469	I419-I443 HydrophobicContact CB-CG1 4.37Å; I419-I443 HydrophobicContact CG2-CD1 4.36Å; I419-I443 HydrophobicContact CG2-CG1 4.02Å; I419-I443 WeakPolarHBondContact O-CG1 3.26Å; I419-I443 PolarHBondContact O-N 2.77Å; S420-I443 WeakPolarHBondContact O-CA 3.43Å; I422-I443 HydrophobicContact CD1-CD1 3.95Å; I422-I443 HydrophobicContact CG1-CD1 4.36Å; L438-I443 HydrophobicContact CB-CD1 4.25Å; N441-I443 HydrophobicContact CB-CD1 4.36Å; N441-I443 HydrophobicContact CB-CG1 4.19Å; I443-Q445 HydrophobicContact CG2-CG 3.96Å; I443-L463 HydrophobicContact CD1-CD2 4.21Å; I443-N466 HydrophobicContact CB-CB 4.17Å; I443-N466 VanDerWaalsContact CB-OD1 3.22Å; I443-N466 WeakPolarHBondContact CB-OD1 3.15Å; I443-N466 WeakPolarHBondContact CD1-OD1 3.46Å; I443-N466 WeakPolarHBondContact CG1-OD1 3.29Å; I443-N466 PolarHBondContact N-OD1 3.23Å; I443-K467 WeakPolarHBondContact O-CA 3.28Å; I443-K467 VanDerWaalsContact O-CB 3.32Å; I443-K467 WeakPolarHBondContact O-CB 3.28Å; I443-K467 PolarHBondContact O-N 3.06Å; I443-Y468 PolarHBondContact O-N 2.96Å; I443-L469 HydrophobicContact CG2-CD2 3.79Å
444	G	98.1	Very high	98	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	83.3	-176	0	0	0	0	0	111	S420 E442 Y468	S420-G444 PolarHBondContact O-N 3.16Å; S420-G444 VanDerWaalsContact O-N 3.08Å; E442-G444 PolarHBondContact O-N 3.31Å; G444-Y468 VanDerWaalsContact CA-CE1 3.42Å; G444-Y468 VanDerWaalsContact CA-O 3.28Å; G444-Y468 WeakPolarHBondContact CA-O 3.45Å; G444-Y468 VanDerWaalsContact O-CZ 3.28Å; G444-Y468 PolarHBondContact O-OH 3.09Å; G444-Y468 VanDerWaalsContact O-OH 3.05Å
445	Q	98.2	Very high	97.9	Very high	21 Å²	21	28.8 Å²	28.8	10%	0.098	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	173.9	-175.8	69.7	179.9	84	0	0	114.2	I422 I443 L447 Y468 L469 Q470	I422-Q445 PolarHBondContact O-NE2 3.35Å; I422-Q445 VanDerWaalsContact O-NE2 3.1Å; I422-Q445 PolarHBondContact O-OE1 2.89Å; I443-Q445 HydrophobicContact CG2-CG 3.96Å; Q445-L447 HydrophobicContact CG-CD2 4.34Å; Q445-Y468 PolarHBondContact N-O 2.88Å; Q445-Y468 VanDerWaalsContact N-O 3.16Å; Q445-L469 WeakPolarHBondContact O-CA 3.4Å; Q445-Q470 PolarHBondContact O-N 3.26Å
446	E	98.4	Very high	97.6	Very high	83 Å²	83	34.4 Å²	34.4	39%	0.388	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.9	157.1	-175.8	171.5	93.7	0	0	110.2	Q470 T472	E446-Q470 CarbonylContact C-O 3.59Å; E446-Q470 WeakPolarHBondContact CA-O 3.45Å; E446-Q470 HydrophobicContact CB-CB 4.22Å; E446-Q470 HydrophobicContact CG-CB 4.42Å; E446-Q470 HydrophobicContact CG-CG 4.31Å; E446-Q470 PolarHBondContact OE2-NE2 2.7Å; E446-T472 HydrophobicContact CG-CG2 3.66Å
447	L	98.3	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.			trans	-93	104	171.9	-65.6	-179	0	0	0	109.1	Q445 G449 W452 L463 L469 Q470 L471 T472 S475 F476	Q445-L447 HydrophobicContact CG-CD2 4.34Å; L447-G449 VanDerWaalsContact C-N 3.29Å; L447-G449 PolarHBondContact O-N 3.5Å; L447-W452 HydrophobicContact CD1-CZ2 4.3Å; L447-W452 HydrophobicContact CD2-CZ2 4.08Å; L447-L463 HydrophobicContact CD1-CD1 4.24Å; L447-L469 HydrophobicContact CD1-CD1 4.38Å; L447-L469 HydrophobicContact CD1-CD2 4.35Å; L447-L469 HydrophobicContact CD2-CD2 4.19Å; L447-L469 HydrophobicContact CG-CD2 4.19Å; L447-Q470 PolarHBondContact N-O 3.14Å; L447-L471 HydrophobicContact CD1-CD2 4.06Å; L447-T472 PolarHBondContact O-OG1 2.67Å; L447-S475 WeakPolarHBondContact O-CB 3.41Å; L447-S475 PolarHBondContact O-OG 3.32Å; L447-F476 HydrophobicContact CD1-CE1 4.32Å; L447-F476 HydrophobicContact CD1-CZ 4Å
448	T	97.8	Very high	97.4	Very high	59 Å²	59	37.2 Å²	37.2	36%	0.362	20%	0.202	S	C	.	.			trans	-76.5	-18.6	-177.4	66	0	0	0	0	113.2	Q450 E451	T448-Q450 VanDerWaalsContact C-N 3.31Å; T448-Q450 PolarHBondContact OG1-N 3.13Å; T448-E451 WeakPolarHBondContact CB-OE1 3.16Å; T448-E451 PolarHBondContact N-OE1 3.41Å; T448-E451 PolarHBondContact N-OE2 2.62Å; T448-E451 VanDerWaalsContact OG1-CD 3.23Å; T448-E451 PolarHBondContact OG1-OE1 2.79Å; T448-E451 PolarHBondContact OG1-OE2 3.02Å
449	G	97.3	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.01	21%	0.214	C	C	.	.	S	Bend	trans	90.5	-14.4	-171	0	0	0	0	0	113.4	L447 E451 N474 L478	L447-G449 VanDerWaalsContact C-N 3.29Å; L447-G449 PolarHBondContact O-N 3.5Å; G449-E451 VanDerWaalsContact C-N 3.33Å; G449-E451 WeakPolarHBondContact CA-OE2 3.44Å; G449-E451 PolarHBondContact N-OE2 3.17Å; G449-N474 WeakPolarHBondContact CA-O 3.4Å; G449-L478 VanDerWaalsContact O-CD1 3.24Å; G449-L478 WeakPolarHBondContact O-CD1 3.25Å
450	Q	98	Very high	97.5	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	21%	0.214	S	C	.	.			trans	-79.5	-17.2	179.3	-58.8	-59.3	-70.5	0	0	113	S424 G425 T448 W452 S453	S424-Q450 WeakPolarHBondContact OG-CB 3.45Å; G425-Q450 PolarHBondContact N-O 3.41Å; T448-Q450 VanDerWaalsContact C-N 3.31Å; T448-Q450 PolarHBondContact OG1-N 3.13Å; Q450-W452 PolarHBondContact O-N 3.02Å; Q450-S453 WeakPolarHBondContact O-CB 3.37Å; Q450-S453 PolarHBondContact O-N 2.86Å
451	E	98.3	Very high	97.5	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.019	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.8	175.9	-56.7	78.4	-168	0	0	111	I422 F427 T448 G449	I422-E451 HydrophobicContact CB-CG 4.24Å; I422-E451 HydrophobicContact CG2-CB 3.89Å; I422-E451 HydrophobicContact CG2-CG 4.1Å; F427-E451 WeakPolarHBondContact CD2-O 3.44Å; T448-E451 WeakPolarHBondContact CB-OE1 3.16Å; T448-E451 PolarHBondContact N-OE1 3.41Å; T448-E451 PolarHBondContact N-OE2 2.62Å; T448-E451 VanDerWaalsContact OG1-CD 3.23Å; T448-E451 PolarHBondContact OG1-OE1 2.79Å; T448-E451 PolarHBondContact OG1-OE2 3.02Å; G449-E451 VanDerWaalsContact C-N 3.33Å; G449-E451 WeakPolarHBondContact CA-OE2 3.44Å; G449-E451 PolarHBondContact N-OE2 3.17Å
452	W	98.1	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.5	-176.3	-39.4	119.6	0	0	0	114.6	I422 F427 L436 L438 L447 Q450 G454 L455 I461 L463 S475 F476 V479	I422-W452 HydrophobicContact CD1-CH2 4.44Å; F427-W452 HydrophobicContact CD2-CE3 4.1Å; F427-W452 HydrophobicContact CD2-CZ3 4.24Å; F427-W452 HydrophobicContact CE2-CE3 4.13Å; F427-W452 AromaticContact CE2-CZ3 3.82Å; F427-W452 HydrophobicContact CE2-CZ3 3.82Å; L436-W452 HydrophobicContact CD2-CE3 4.29Å; L436-W452 HydrophobicContact CD2-CZ3 3.91Å; L438-W452 HydrophobicContact CD1-CH2 3.96Å; L438-W452 HydrophobicContact CD1-CZ3 3.81Å; L447-W452 HydrophobicContact CD1-CZ2 4.3Å; L447-W452 HydrophobicContact CD2-CZ2 4.08Å; Q450-W452 PolarHBondContact O-N 3.02Å; W452-G454 PolarHBondContact O-N 3.41Å; W452-L455 HydrophobicContact CB-CD1 4.2Å; W452-L455 HydrophobicContact CE3-CD1 3.98Å; W452-L455 WeakPolarHBondContact O-CB 3.37Å; W452-L455 PolarHBondContact O-N 3.17Å; W452-L455 VanDerWaalsContact O-N 3.13Å; W452-I461 HydrophobicContact CD2-CD1 4.45Å; W452-I461 HydrophobicContact CE3-CD1 4.31Å; W452-I461 HydrophobicContact CH2-CG2 4.44Å; W452-L463 HydrophobicContact CH2-CD1 3.97Å; W452-L463 HydrophobicContact CH2-CD2 4.27Å; W452-L463 HydrophobicContact CH2-CG 4.47Å; W452-L463 HydrophobicContact CZ2-CD1 3.94Å; W452-S475 PolarHBondContact NE1-O 3.14Å; W452-F476 HydrophobicContact CZ2-CE1 4.44Å; W452-F476 AromaticContact NE1-CD1 3.87Å; W452-F476 AromaticContact NE1-CE1 3.99Å; W452-V479 HydrophobicContact CB-CG1 3.59Å; W452-V479 HydrophobicContact CG-CG1 4.3Å
453	S	96.6	Very high	97.5	Very high	46 Å²	46	35.2 Å²	35.2	32%	0.322	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	129.9	-179.7	-170.1	0	0	0	0	110.8	S428 Q450	S428-S453 WeakPolarHBondContact CA-O 3.44Å; S428-S453 WeakPolarHBondContact CB-O 3.28Å; S428-S453 PolarHBondContact N-O 3.17Å; Q450-S453 WeakPolarHBondContact O-CB 3.37Å; Q450-S453 PolarHBondContact O-N 2.86Å
454	G	94.2	Very high	97.5	Very high	26 Å²	26	35.8 Å²	35.8	27%	0.268	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-7.4	-176.6	0	0	0	0	0	116.1	G431 W452 E456	G431-G454 WeakPolarHBondContact CA-O 3.42Å; W452-G454 PolarHBondContact O-N 3.41Å; G454-E456 VanDerWaalsContact C-N 3.27Å; G454-E456 PolarHBondContact O-N 3.34Å
455	L	97	Very high	97.6	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.197	C	C	.	.			trans	-80.6	66.9	177.6	-68.4	-178.8	0	0	0	112.4	F427 L430 L433 L436 W452 I458 V479	F427-L455 HydrophobicContact CB-CD1 4.05Å; F427-L455 HydrophobicContact CB-CD2 3.85Å; F427-L455 HydrophobicContact CB-CG 3.96Å; F427-L455 HydrophobicContact CD2-CD1 4.26Å; F427-L455 HydrophobicContact CG-CD1 4.41Å; L430-L455 HydrophobicContact CB-CD2 4.29Å; L433-L455 HydrophobicContact CB-CD2 4.03Å; L433-L455 HydrophobicContact CD2-CD2 3.9Å; L436-L455 HydrophobicContact CD2-CD1 3.94Å; W452-L455 HydrophobicContact CB-CD1 4.2Å; W452-L455 HydrophobicContact CE3-CD1 3.98Å; W452-L455 WeakPolarHBondContact O-CB 3.37Å; W452-L455 PolarHBondContact O-N 3.17Å; W452-L455 VanDerWaalsContact O-N 3.13Å; L455-I458 HydrophobicContact CB-CB 4.14Å; L455-I458 HydrophobicContact CB-CG2 4.13Å; L455-I458 WeakPolarHBondContact O-CG2 3.13Å; L455-V479 HydrophobicContact CB-CG1 4.05Å
456	E	91.5	Very high	97.6	Very high	147 Å²	147	38.7 Å²	38.7	69%	0.687	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-40.7	-174	-64.3	-176.4	-173.8	0	0	113.4	G454 S481	G454-E456 VanDerWaalsContact C-N 3.27Å; G454-E456 PolarHBondContact O-N 3.34Å; E456-S481 WeakPolarHBondContact O-CB 3.45Å; E456-S481 PolarHBondContact O-OG 2.87Å
457	N	96.2	Very high	97.5	Very high	88 Å²	88	41 Å²	41	47%	0.471	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	12.5	-173.9	-65.6	-75.1	0	0	0	114.4	G431 L433 F459	G431-N457 PolarHBondContact O-ND2 3.1Å; L433-N457 CarbonylContact O-C 3.23Å; N457-F459 PolarHBondContact O-N 2.82Å
458	I	98.3	Very high	97.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.223	C	C	.	.			trans	-66.2	128.2	-173.2	-163.4	75.9	0	0	0	112.3	L433 E434 L436 L455 I461 V479 S481 L482	L433-I458 HydrophobicContact CD2-CD1 4.27Å; L433-I458 HydrophobicContact CG-CD1 4.25Å; L433-I458 WeakPolarHBondContact O-CA 3.28Å; L433-I458 PolarHBondContact O-N 2.93Å; E434-I458 WeakPolarHBondContact O-CD1 3.3Å; L436-I458 HydrophobicContact CB-CD1 3.88Å; L455-I458 HydrophobicContact CB-CB 4.14Å; L455-I458 HydrophobicContact CB-CG2 4.13Å; L455-I458 WeakPolarHBondContact O-CG2 3.13Å; I458-I461 HydrophobicContact CD1-CG1 4.31Å; I458-I461 HydrophobicContact CG1-CD1 4.09Å; I458-I461 HydrophobicContact CG1-CG1 3.77Å; I458-V479 HydrophobicContact CG2-CB 3.66Å; I458-V479 HydrophobicContact CG2-CG1 3.61Å; I458-S481 CarbonylContact O-C 3.57Å; I458-S481 WeakPolarHBondContact O-CB 3.28Å; I458-L482 HydrophobicContact CG1-CD1 4.05Å; I458-L482 HydrophobicContact CG2-CD1 4.17Å; I458-L482 WeakPolarHBondContact O-CA 3.34Å; I458-L482 PolarHBondContact O-N 3.16Å
459	F	98.4	Very high	97.5	Very high	57 Å²	57	43.1 Å²	43.1	25%	0.25	21%	0.206	C	C	.	.			trans	-107.4	-37.9	-178.1	168.1	-92.9	0	0	0	111.2	E434 N457 Q483 R484	E434-F459 HydrophobicContact CB-CB 4.4Å; E434-F459 WeakPolarHBondContact O-CA 3.25Å; E434-F459 WeakPolarHBondContact O-CB 3.16Å; E434-F459 PolarHBondContact O-N 2.75Å; N457-F459 PolarHBondContact O-N 2.82Å; F459-Q483 HydrophobicContact CD2-CB 3.86Å; F459-Q483 HydrophobicContact CD2-CG 3.76Å; F459-Q483 HydrophobicContact CE2-CB 3.78Å; F459-Q483 VanDerWaalsContact CE2-CD 3.45Å; F459-Q483 HydrophobicContact CE2-CG 3.93Å; F459-Q483 HydrophobicContact CZ-CB 4.45Å; F459-Q483 PolarHBondContact O-N 3.04Å; F459-R484 HydrophobicContact CE1-CG 4.34Å; F459-R484 HydrophobicContact CZ-CG 4.45Å; F459-R484 PolarHBondContact O-N 3.04Å
460	E	98.8	Very high	97.6	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	125.9	-172.7	179.2	153.1	-142	0	0	113	E434 V435 L436 Y462 R484 M486	E434-E460 PolarHBondContact O-N 2.94Å; V435-E460 WeakPolarHBondContact CA-O 3.27Å; V435-E460 HydrophobicContact CG1-CB 4.36Å; V435-E460 HydrophobicContact CG1-CG 4.36Å; V435-E460 HydrophobicContact CG2-CB 4.39Å; L436-E460 PolarHBondContact N-O 3.04Å; E460-Y462 VanDerWaalsContact CD-CE2 3.46Å; E460-Y462 HydrophobicContact CG-CD2 3.91Å; E460-Y462 HydrophobicContact CG-CE2 3.5Å; E460-Y462 WeakPolarHBondContact OE1-CE2 3.34Å; E460-Y462 PolarHBondContact OE1-OH 2.81Å; E460-R484 WeakPolarHBondContact CA-O 3.41Å; E460-R484 HydrophobicContact CB-CB 3.97Å; E460-R484 HydrophobicContact CG-CB 3.79Å; E460-R484 WeakPolarHBondContact OE1-CD 3.03Å; E460-R484 IonicContact OE1-NH1 2.99Å; E460-R484 WeakPolarHBondContact OE2-CD 3.37Å; E460-R484 IonicContact OE2-CZ 3.98Å; E460-R484 IonicContact OE2-NE 2.66Å; E460-R484 IonicContact OE2-NH1 2.99Å; E460-R484 PolarHBondContact OE2-NH1 2.98Å; E460-M486 WeakPolarHBondContact OE1-CE 3.38Å
461	I	98.9	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	175.3	-68.4	171.7	0	0	0	109.3	L436 W452 I458 L463 L482 R484 L485 M486	L436-I461 HydrophobicContact CB-CG1 4.48Å; L436-I461 WeakPolarHBondContact O-CA 3.48Å; W452-I461 HydrophobicContact CD2-CD1 4.45Å; W452-I461 HydrophobicContact CE3-CD1 4.31Å; W452-I461 HydrophobicContact CH2-CG2 4.44Å; I458-I461 HydrophobicContact CD1-CG1 4.31Å; I458-I461 HydrophobicContact CG1-CD1 4.09Å; I458-I461 HydrophobicContact CG1-CG1 3.77Å; I461-L463 HydrophobicContact CG2-CD1 3.83Å; I461-L463 HydrophobicContact CG2-CG 3.87Å; I461-L482 HydrophobicContact CB-CD1 4.1Å; I461-L482 HydrophobicContact CD1-CD1 3.8Å; I461-L482 HydrophobicContact CD1-CD2 4.2Å; I461-L482 HydrophobicContact CG1-CD1 3.65Å; I461-R484 PolarHBondContact N-O 3Å; I461-L485 HydrophobicContact CB-CD1 4.37Å; I461-L485 HydrophobicContact CG2-CD1 4.33Å; I461-M486 PolarHBondContact O-N 2.94Å
462	Y	98.8	Very high	97.6	Very high	83 Å²	83	42.4 Å²	42.4	33%	0.325	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.1	167.9	-70.3	-95	0	0	0	110.2	L436 D437 L438 G439 E460 M486	L436-Y462 PolarHBondContact O-N 3.42Å; D437-Y462 HydrophobicContact CB-CD2 4.38Å; D437-Y462 VanDerWaalsContact OD1-CB 3.28Å; D437-Y462 WeakPolarHBondContact OD1-CB 3.26Å; L438-Y462 CarbonylContact C-O 3.58Å; L438-Y462 WeakPolarHBondContact CA-O 3.36Å; L438-Y462 WeakPolarHBondContact CB-O 3.19Å; L438-Y462 PolarHBondContact N-O 2.85Å; G439-Y462 PolarHBondContact N-O 3.34Å; E460-Y462 VanDerWaalsContact CD-CE2 3.46Å; E460-Y462 HydrophobicContact CG-CD2 3.91Å; E460-Y462 HydrophobicContact CG-CE2 3.5Å; E460-Y462 WeakPolarHBondContact OE1-CE2 3.34Å; E460-Y462 PolarHBondContact OE1-OH 2.81Å; Y462-M486 HydrophobicContact CD1-CB 3.78Å; Y462-M486 HydrophobicContact CD1-CG 3.44Å; Y462-M486 VanDerWaalsContact CD1-CG 3.44Å; Y462-M486 HydrophobicContact CE1-CB 4.3Å; Y462-M486 HydrophobicContact CE1-CE 4.22Å; Y462-M486 HydrophobicContact CE1-CG 3.52Å; Y462-M486 HydrophobicContact CG-CB 4.42Å; Y462-M486 HydrophobicContact CG-CG 4.1Å
463	L	98.7	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.			trans	-120.1	-0.1	172.2	-81	163.5	0	0	0	112.5	L438 I443 L447 W452 I461 N466 L469 M486 L487 V490	L438-L463 HydrophobicContact CB-CD2 3.96Å; L438-L463 HydrophobicContact CD1-CD2 4.19Å; I443-L463 HydrophobicContact CD1-CD2 4.21Å; L447-L463 HydrophobicContact CD1-CD1 4.24Å; W452-L463 HydrophobicContact CH2-CD1 3.97Å; W452-L463 HydrophobicContact CH2-CD2 4.27Å; W452-L463 HydrophobicContact CH2-CG 4.47Å; W452-L463 HydrophobicContact CZ2-CD1 3.94Å; I461-L463 HydrophobicContact CG2-CD1 3.83Å; I461-L463 HydrophobicContact CG2-CG 3.87Å; L463-N466 PolarHBondContact O-ND2 3.41Å; L463-L469 HydrophobicContact CB-CD1 4.02Å; L463-L469 HydrophobicContact CD1-CD1 4.22Å; L463-L469 HydrophobicContact CD2-CD1 4.28Å; L463-L469 HydrophobicContact CG-CD1 4.42Å; L463-M486 CarbonylContact C-O 3.42Å; L463-M486 WeakPolarHBondContact CA-O 3.26Å; L463-M486 PolarHBondContact N-O 3.29Å; L463-L487 HydrophobicContact CB-CD2 3.85Å; L463-L487 HydrophobicContact CD1-CD2 3.92Å; L463-V490 WeakPolarHBondContact O-CG1 3.4Å
464	S	98.7	Very high	97.5	Very high	11 Å²	11	49.9 Å²	49.9	8%	0.077	24%	0.235	C	C	.	.			trans	-55.7	146.5	-177.4	-56.2	0	0	0	0	114.3	G439 L440 M486 R488	G439-S464 CarbonylContact C-O 3.5Å; G439-S464 WeakPolarHBondContact CA-O 3.3Å; L440-S464 PolarHBondContact N-O 3.01Å; S464-M486 PolarHBondContact N-O 3.29Å; S464-M486 VanDerWaalsContact N-O 3.07Å; S464-M486 VanDerWaalsContact OG-C 3.3Å; S464-M486 VanDerWaalsContact OG-CB 3.26Å; S464-M486 WeakPolarHBondContact OG-CB 3.38Å; S464-M486 PolarHBondContact OG-O 2.94Å; S464-R488 CarbonylContact C-O 3.5Å; S464-R488 WeakPolarHBondContact CA-O 3.44Å; S464-R488 WeakPolarHBondContact CB-O 3.32Å; S464-R488 PolarHBondContact OG-N 3.27Å; S464-R488 VanDerWaalsContact OG-N 3.16Å
465	Y	98.6	Very high	97.7	Very high	90 Å²	90	48.7 Å²	48.7	35%	0.353	22%	0.222	S	C	.	.	S	Bend	trans	59.1	54.4	-176.5	-51.5	-88.8	0	0	0	112.7	L440 N441 R488 R489	L440-Y465 VanDerWaalsContact CA-O 3.29Å; L440-Y465 WeakPolarHBondContact CA-O 3.35Å; L440-Y465 HydrophobicContact CD2-CD2 4.11Å; L440-Y465 HydrophobicContact CD2-CG 3.92Å; L440-Y465 PolarHBondContact N-O 2.78Å; N441-Y465 PolarHBondContact N-O 3.01Å; Y465-R488 HydrophobicContact CE2-CG 4.46Å; Y465-R488 PolarHBondContact N-O 3.12Å; Y465-R488 PolarHBondContact OH-NE 2.88Å; Y465-R489 WeakPolarHBondContact CA-O 3.35Å; Y465-R489 HydrophobicContact CD1-CB 4.31Å
466	N	98.6	Very high	97.7	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	22%	0.221	C	C	.	.			trans	-114.1	173.2	169.8	-90.2	-71.5	0	0	0	111.1	L438 N441 E442 I443 L463 R489 V490	L438-N466 PolarHBondContact O-ND2 2.98Å; N441-N466 WeakPolarHBondContact CA-OD1 3.46Å; N441-N466 WeakPolarHBondContact CB-OD1 3.45Å; N441-N466 PolarHBondContact O-OD1 2.87Å; E442-N466 PolarHBondContact N-OD1 3.28Å; I443-N466 HydrophobicContact CB-CB 4.17Å; I443-N466 VanDerWaalsContact CB-OD1 3.22Å; I443-N466 WeakPolarHBondContact CB-OD1 3.15Å; I443-N466 WeakPolarHBondContact CD1-OD1 3.46Å; I443-N466 WeakPolarHBondContact CG1-OD1 3.29Å; I443-N466 PolarHBondContact N-OD1 3.23Å; L463-N466 PolarHBondContact O-ND2 3.41Å; N466-R489 PolarHBondContact N-O 3.15Å; N466-V490 HydrophobicContact CB-CG1 4.2Å
467	K	97.5	Very high	97.9	Very high	132 Å²	132	42.6 Å²	42.6	57%	0.574	20%	0.197	S	C	*	.	S	Bend	trans	-80	-51.2	-164.7	-171.2	177.8	-173.7	166.6	0	113.6	E442 I443	E442-K467 VanDerWaalsContact O-CB 3.31Å; E442-K467 WeakPolarHBondContact O-CB 3.35Å; E442-K467 WeakPolarHBondContact O-CD 3.32Å; I443-K467 WeakPolarHBondContact O-CA 3.28Å; I443-K467 VanDerWaalsContact O-CB 3.32Å; I443-K467 WeakPolarHBondContact O-CB 3.28Å; I443-K467 PolarHBondContact O-N 3.06Å
468	Y	97.9	Very high	98	Very high	102 Å²	102	42.3 Å²	42.3	40%	0.4	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	141.4	163	68.4	-89.9	0	0	0	111.1	I443 G444 Q445 V490	I443-Y468 PolarHBondContact O-N 2.96Å; G444-Y468 VanDerWaalsContact CA-CE1 3.42Å; G444-Y468 VanDerWaalsContact CA-O 3.28Å; G444-Y468 WeakPolarHBondContact CA-O 3.45Å; G444-Y468 VanDerWaalsContact O-CZ 3.28Å; G444-Y468 PolarHBondContact O-OH 3.09Å; G444-Y468 VanDerWaalsContact O-OH 3.05Å; Q445-Y468 PolarHBondContact N-O 2.88Å; Q445-Y468 VanDerWaalsContact N-O 3.16Å; Y468-V490 CarbonylContact C-O 3.55Å; Y468-V490 WeakPolarHBondContact CA-O 3.5Å
469	L	98.4	Very high	97.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.6	172.1	-65.3	176.2	0	0	0	110.6	I443 Q445 L447 L463 L487 V490 L492 K493	I443-L469 HydrophobicContact CG2-CD2 3.79Å; Q445-L469 WeakPolarHBondContact O-CA 3.4Å; L447-L469 HydrophobicContact CD1-CD1 4.38Å; L447-L469 HydrophobicContact CD1-CD2 4.35Å; L447-L469 HydrophobicContact CD2-CD2 4.19Å; L447-L469 HydrophobicContact CG-CD2 4.19Å; L463-L469 HydrophobicContact CB-CD1 4.02Å; L463-L469 HydrophobicContact CD1-CD1 4.22Å; L463-L469 HydrophobicContact CD2-CD1 4.28Å; L463-L469 HydrophobicContact CG-CD1 4.42Å; L469-L487 HydrophobicContact CD1-CD2 3.81Å; L469-V490 HydrophobicContact CB-CB 4.34Å; L469-V490 HydrophobicContact CB-CG2 4.06Å; L469-V490 HydrophobicContact CD1-CB 3.87Å; L469-V490 HydrophobicContact CD1-CG1 4.06Å; L469-V490 HydrophobicContact CD1-CG2 3.95Å; L469-V490 HydrophobicContact CG-CB 4.09Å; L469-V490 HydrophobicContact CG-CG2 4.27Å; L469-V490 PolarHBondContact N-O 3.29Å; L469-L492 HydrophobicContact CB-CD1 4.16Å; L469-L492 WeakPolarHBondContact O-CA 3.36Å; L469-K493 PolarHBondContact O-N 3.32Å
470	Q	98.3	Very high	97.8	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125	171.8	179.4	167.4	-57.4	0	0	109.2	Q445 E446 L447 K493 N494	Q445-Q470 PolarHBondContact O-N 3.26Å; E446-Q470 CarbonylContact C-O 3.59Å; E446-Q470 WeakPolarHBondContact CA-O 3.45Å; E446-Q470 HydrophobicContact CB-CB 4.22Å; E446-Q470 HydrophobicContact CG-CB 4.42Å; E446-Q470 HydrophobicContact CG-CG 4.31Å; E446-Q470 PolarHBondContact OE2-NE2 2.7Å; L447-Q470 PolarHBondContact N-O 3.14Å; Q470-K493 HydrophobicContact CB-CB 4.39Å; Q470-K493 HydrophobicContact CG-CB 4.36Å; Q470-N494 HydrophobicContact CG-CB 4.38Å; Q470-N494 WeakPolarHBondContact CG-ND2 3.44Å
471	L	98.3	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.224	C	C	.	.			trans	-88.9	162	179.7	-61	-174.1	0	0	0	112.4	L447 F476 L492 K493 N494 P501 F502	L447-L471 HydrophobicContact CD1-CD2 4.06Å; L471-F476 HydrophobicContact CD2-CE2 3.89Å; L471-F476 HydrophobicContact CD2-CZ 4.15Å; L471-L492 HydrophobicContact CD1-CD1 3.95Å; L471-L492 HydrophobicContact CD1-CD2 4.08Å; L471-L492 HydrophobicContact CD1-CG 4.19Å; L471-L492 HydrophobicContact CD2-CD1 4.07Å; L471-L492 HydrophobicContact CG-CD1 3.79Å; L471-L492 HydrophobicContact CG-CG 4.32Å; L471-K493 PolarHBondContact N-O 3.15Å; L471-N494 VanDerWaalsContact O-CB 3.25Å; L471-N494 WeakPolarHBondContact O-CB 3.32Å; L471-P501 HydrophobicContact CB-CB 4.18Å; L471-P501 HydrophobicContact CB-CG 3.87Å; L471-P501 HydrophobicContact CD1-CB 3.93Å; L471-P501 HydrophobicContact CD1-CG 3.99Å; L471-F502 HydrophobicContact CD1-CE1 4.21Å; L471-F502 HydrophobicContact CD1-CZ 3.9Å
472	T	97.4	Very high	97.6	Very high	27 Å²	27	49 Å²	49	17%	0.166	22%	0.224	C	C	.	.			trans	-138.6	161.7	168.4	73.9	0	0	0	0	108	E446 L447 N474 S475 P501	E446-T472 HydrophobicContact CG-CG2 3.66Å; L447-T472 PolarHBondContact O-OG1 2.67Å; T472-N474 PolarHBondContact O-N 2.64Å; T472-N474 PolarHBondContact OG1-N 3.11Å; T472-S475 PolarHBondContact N-OG 3.15Å; T472-S475 WeakPolarHBondContact O-CB 3.31Å; T472-S475 PolarHBondContact O-N 3.09Å; T472-S475 PolarHBondContact O-OG 3.05Å; T472-S475 VanDerWaalsContact O-OG 3.09Å; T472-S475 PolarHBondContact OG1-N 3.33Å; T472-S475 PolarHBondContact OG1-OG 2.9Å; T472-P501 WeakPolarHBondContact O-CB 3.44Å
473	K	95.9	Very high	97.6	Very high	119 Å²	119	48.4 Å²	48.4	52%	0.517	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-12.8	171.6	65.7	176.7	-176.8	-179.5	0	115.1	P499	K473-P499 HydrophobicContact CB-CG 4.2Å; K473-P499 WeakPolarHBondContact CB-O 3.35Å; K473-P499 HydrophobicContact CD-CG 4.33Å
474	N	97	Very high	97.6	Very high	85 Å²	85	52.2 Å²	52.2	46%	0.455	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-9.4	179.5	-70.8	-3.9	0	0	0	113.4	G449 T472 F476 A477	G449-N474 WeakPolarHBondContact CA-O 3.4Å; T472-N474 PolarHBondContact O-N 2.64Å; T472-N474 PolarHBondContact OG1-N 3.11Å; N474-F476 PolarHBondContact O-N 3.36Å; N474-A477 WeakPolarHBondContact O-CB 3.37Å; N474-A477 PolarHBondContact O-N 2.86Å
475	S	97.9	Very high	97.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.9	-166.8	-65.3	0	0	0	0	115.3	L447 W452 T472	L447-S475 WeakPolarHBondContact O-CB 3.41Å; L447-S475 PolarHBondContact O-OG 3.32Å; W452-S475 PolarHBondContact NE1-O 3.14Å; T472-S475 PolarHBondContact N-OG 3.15Å; T472-S475 WeakPolarHBondContact O-CB 3.31Å; T472-S475 PolarHBondContact O-N 3.09Å; T472-S475 PolarHBondContact O-OG 3.05Å; T472-S475 VanDerWaalsContact O-OG 3.09Å; T472-S475 PolarHBondContact OG1-N 3.33Å; T472-S475 PolarHBondContact OG1-OG 2.9Å
476	F	97.5	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	13.8	178.5	-52.5	-71.5	0	0	0	113.3	L447 W452 L471 N474 L478 V479 L485 L487 F502 L505	L447-F476 HydrophobicContact CD1-CE1 4.32Å; L447-F476 HydrophobicContact CD1-CZ 4Å; W452-F476 HydrophobicContact CZ2-CE1 4.44Å; W452-F476 AromaticContact NE1-CD1 3.87Å; W452-F476 AromaticContact NE1-CE1 3.99Å; L471-F476 HydrophobicContact CD2-CE2 3.89Å; L471-F476 HydrophobicContact CD2-CZ 4.15Å; N474-F476 PolarHBondContact O-N 3.36Å; F476-L478 PolarHBondContact O-N 2.89Å; F476-L478 VanDerWaalsContact O-N 3.12Å; F476-V479 HydrophobicContact CB-CG2 3.89Å; F476-V479 HydrophobicContact CD1-CG2 4.29Å; F476-V479 VanDerWaalsContact O-CG2 3.31Å; F476-V479 WeakPolarHBondContact O-CG2 3.47Å; F476-V479 PolarHBondContact O-N 2.96Å; F476-L485 HydrophobicContact CD1-CD2 4.46Å; F476-L485 HydrophobicContact CD2-CD2 4.14Å; F476-L485 HydrophobicContact CE1-CD1 3.92Å; F476-L485 HydrophobicContact CE1-CD2 4.18Å; F476-L485 HydrophobicContact CE2-CD2 3.83Å; F476-L485 HydrophobicContact CG-CD2 4.45Å; F476-L485 HydrophobicContact CZ-CD1 4.04Å; F476-L485 HydrophobicContact CZ-CD2 3.85Å; F476-L487 HydrophobicContact CZ-CD1 4.38Å; F476-F502 HydrophobicContact CD2-CD1 4.35Å; F476-F502 HydrophobicContact CD2-CE1 4.49Å; F476-F502 HydrophobicContact CE2-CD1 4.41Å; F476-F502 HydrophobicContact CE2-CE1 4.1Å; F476-L505 HydrophobicContact CB-CD1 3.92Å; F476-L505 HydrophobicContact CB-CD2 3.92Å; F476-L505 HydrophobicContact CB-CG 4.22Å; F476-L505 HydrophobicContact CD2-CD1 4.45Å; F476-L505 HydrophobicContact CG-CD1 4.27Å
477	A	96.6	Very high	97.7	Very high	22 Å²	22	47.7 Å²	47.7	18%	0.182	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17	-171.9	0	0	0	0	0	115.2	N474 R480 P504	N474-A477 WeakPolarHBondContact O-CB 3.37Å; N474-A477 PolarHBondContact O-N 2.86Å; A477-R480 PolarHBondContact O-NE 3.14Å; A477-P504 HydrophobicContact CB-CG 4.08Å
478	L	97.2	Very high	97.7	Very high	82 Å²	82	44.3 Å²	44.3	43%	0.429	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-21	175	-57.5	-170.8	0	0	0	113.4	G449 F476	G449-L478 VanDerWaalsContact O-CD1 3.24Å; G449-L478 WeakPolarHBondContact O-CD1 3.25Å; F476-L478 PolarHBondContact O-N 2.89Å; F476-L478 VanDerWaalsContact O-N 3.12Å
479	V	97.1	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.213	C	C	.	.			trans	-110.7	55.3	-168.7	-68.8	0	0	0	0	112.6	W452 L455 I458 F476 S481 L482 L505	W452-V479 HydrophobicContact CB-CG1 3.59Å; W452-V479 HydrophobicContact CG-CG1 4.3Å; L455-V479 HydrophobicContact CB-CG1 4.05Å; I458-V479 HydrophobicContact CG2-CB 3.66Å; I458-V479 HydrophobicContact CG2-CG1 3.61Å; F476-V479 HydrophobicContact CB-CG2 3.89Å; F476-V479 HydrophobicContact CD1-CG2 4.29Å; F476-V479 VanDerWaalsContact O-CG2 3.31Å; F476-V479 WeakPolarHBondContact O-CG2 3.47Å; F476-V479 PolarHBondContact O-N 2.96Å; V479-S481 PolarHBondContact O-N 3.13Å; V479-L482 WeakPolarHBondContact O-CB 3.23Å; V479-L482 PolarHBondContact O-N 2.77Å; V479-L482 VanDerWaalsContact O-N 3.12Å; V479-L505 WeakPolarHBondContact O-CD2 3.19Å
480	R	95.6	Very high	97.7	Very high	170 Å²	170	47 Å²	47	64%	0.642	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.9	-174.7	-51.9	-179.2	-166.4	172.4	1.9	114.5	A477 L482 N507	A477-R480 PolarHBondContact O-NE 3.14Å; R480-L482 VanDerWaalsContact C-N 3.33Å; R480-N507 PolarHBondContact O-ND2 3.33Å; R480-N507 VanDerWaalsContact O-ND2 3.14Å
481	S	96.3	Very high	97.7	Very high	39 Å²	39	46.6 Å²	46.6	27%	0.273	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.9	171.8	25.8	0	0	0	0	112.9	E456 I458 V479 Q483	E456-S481 WeakPolarHBondContact O-CB 3.45Å; E456-S481 PolarHBondContact O-OG 2.87Å; I458-S481 CarbonylContact O-C 3.57Å; I458-S481 WeakPolarHBondContact O-CB 3.28Å; V479-S481 PolarHBondContact O-N 3.13Å; S481-Q483 WeakPolarHBondContact O-CG 3.47Å; S481-Q483 PolarHBondContact O-N 3.45Å
482	L	98.3	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.			trans	-60.7	128.4	-172.9	-166	74.4	0	0	0	112.2	I458 I461 V479 R480 L485 L505 L508	I458-L482 HydrophobicContact CG1-CD1 4.05Å; I458-L482 HydrophobicContact CG2-CD1 4.17Å; I458-L482 WeakPolarHBondContact O-CA 3.34Å; I458-L482 PolarHBondContact O-N 3.16Å; I461-L482 HydrophobicContact CB-CD1 4.1Å; I461-L482 HydrophobicContact CD1-CD1 3.8Å; I461-L482 HydrophobicContact CD1-CD2 4.2Å; I461-L482 HydrophobicContact CG1-CD1 3.65Å; V479-L482 WeakPolarHBondContact O-CB 3.23Å; V479-L482 PolarHBondContact O-N 2.77Å; V479-L482 VanDerWaalsContact O-N 3.12Å; R480-L482 VanDerWaalsContact C-N 3.33Å; L482-L485 HydrophobicContact CD2-CB 3.97Å; L482-L485 HydrophobicContact CD2-CD1 4.23Å; L482-L485 HydrophobicContact CD2-CD2 4.45Å; L482-L485 HydrophobicContact CD2-CG 4.44Å; L482-L505 HydrophobicContact CB-CD2 4.37Å; L482-L505 HydrophobicContact CD2-CD1 4.36Å; L482-L508 HydrophobicContact CD2-CD1 4.5Å; L482-L508 HydrophobicContact CG-CD1 4.49Å
483	Q	98.5	Very high	97.6	Very high	71 Å²	71	50.9 Å²	50.9	33%	0.332	24%	0.236	S	C	.	.			trans	-108.7	-24.1	177.7	-55.8	-166.3	26.6	0	0	112.3	F459 S481 N507 T509 I510	F459-Q483 HydrophobicContact CD2-CB 3.86Å; F459-Q483 HydrophobicContact CD2-CG 3.76Å; F459-Q483 HydrophobicContact CE2-CB 3.78Å; F459-Q483 VanDerWaalsContact CE2-CD 3.45Å; F459-Q483 HydrophobicContact CE2-CG 3.93Å; F459-Q483 HydrophobicContact CZ-CB 4.45Å; F459-Q483 PolarHBondContact O-N 3.04Å; S481-Q483 WeakPolarHBondContact O-CG 3.47Å; S481-Q483 PolarHBondContact O-N 3.45Å; Q483-N507 HydrophobicContact CG-CB 4.41Å; Q483-T509 PolarHBondContact O-N 3.2Å; Q483-T509 PolarHBondContact O-OG1 3.02Å; Q483-T509 VanDerWaalsContact O-OG1 3.1Å; Q483-I510 PolarHBondContact O-N 3.13Å; Q483-I510 VanDerWaalsContact O-N 3.08Å
484	R	98.9	Very high	97.5	Very high	81 Å²	81	48 Å²	48	31%	0.306	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.6	-177	-57.9	179.7	177.4	169.7	-2.9	111.8	F459 E460 I461 M486 I510	F459-R484 HydrophobicContact CE1-CG 4.34Å; F459-R484 HydrophobicContact CZ-CG 4.45Å; F459-R484 PolarHBondContact O-N 3.04Å; E460-R484 WeakPolarHBondContact CA-O 3.41Å; E460-R484 HydrophobicContact CB-CB 3.97Å; E460-R484 HydrophobicContact CG-CB 3.79Å; E460-R484 WeakPolarHBondContact OE1-CD 3.03Å; E460-R484 IonicContact OE1-NH1 2.99Å; E460-R484 WeakPolarHBondContact OE2-CD 3.37Å; E460-R484 IonicContact OE2-CZ 3.98Å; E460-R484 IonicContact OE2-NE 2.66Å; E460-R484 IonicContact OE2-NH1 2.99Å; E460-R484 PolarHBondContact OE2-NH1 2.98Å; I461-R484 PolarHBondContact N-O 3Å; R484-M486 HydrophobicContact CB-CE 4Å; R484-I510 WeakPolarHBondContact CA-O 3.19Å; R484-I510 HydrophobicContact CB-CB 4.38Å; R484-I510 HydrophobicContact CG-CB 4.06Å; R484-I510 HydrophobicContact CG-CD1 4.1Å; R484-I510 HydrophobicContact CG-CG1 4.14Å
485	L	98.8	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.8	-178.3	178.6	57	0	0	0	110.6	I461 F476 L482 L487 F502 L505 L508 I510 L511 D512	I461-L485 HydrophobicContact CB-CD1 4.37Å; I461-L485 HydrophobicContact CG2-CD1 4.33Å; F476-L485 HydrophobicContact CD1-CD2 4.46Å; F476-L485 HydrophobicContact CD2-CD2 4.14Å; F476-L485 HydrophobicContact CE1-CD1 3.92Å; F476-L485 HydrophobicContact CE1-CD2 4.18Å; F476-L485 HydrophobicContact CE2-CD2 3.83Å; F476-L485 HydrophobicContact CG-CD2 4.45Å; F476-L485 HydrophobicContact CZ-CD1 4.04Å; F476-L485 HydrophobicContact CZ-CD2 3.85Å; L482-L485 HydrophobicContact CD2-CB 3.97Å; L482-L485 HydrophobicContact CD2-CD1 4.23Å; L482-L485 HydrophobicContact CD2-CD2 4.45Å; L482-L485 HydrophobicContact CD2-CG 4.44Å; L485-L487 HydrophobicContact CD1-CD1 4.3Å; L485-L487 HydrophobicContact CD1-CD2 4.47Å; L485-L487 HydrophobicContact CD1-CG 4.12Å; L485-L487 HydrophobicContact CD2-CD1 3.98Å; L485-L487 HydrophobicContact CG-CD1 3.97Å; L485-L487 HydrophobicContact CG-CG 4.11Å; L485-F502 HydrophobicContact CD2-CD1 4Å; L485-F502 HydrophobicContact CD2-CE1 3.87Å; L485-L505 HydrophobicContact CD2-CD1 4.15Å; L485-L508 HydrophobicContact CB-CD1 3.96Å; L485-I510 PolarHBondContact N-O 2.97Å; L485-L511 HydrophobicContact CB-CD1 4.17Å; L485-L511 HydrophobicContact CD2-CD1 4.16Å; L485-L511 HydrophobicContact CG-CD1 4.21Å; L485-D512 PolarHBondContact O-N 2.94Å; L485-D512 VanDerWaalsContact O-N 3.09Å
486	M	98.8	Very high	97.2	Very high	17 Å²	17	47 Å²	47	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	109.7	-177.5	-40.2	-55.4	-172.2	0	0	110.8	E460 I461 Y462 L463 S464 R484 I510 D512	E460-M486 WeakPolarHBondContact OE1-CE 3.38Å; I461-M486 PolarHBondContact O-N 2.94Å; Y462-M486 HydrophobicContact CD1-CB 3.78Å; Y462-M486 HydrophobicContact CD1-CG 3.44Å; Y462-M486 VanDerWaalsContact CD1-CG 3.44Å; Y462-M486 HydrophobicContact CE1-CB 4.3Å; Y462-M486 HydrophobicContact CE1-CE 4.22Å; Y462-M486 HydrophobicContact CE1-CG 3.52Å; Y462-M486 HydrophobicContact CG-CB 4.42Å; Y462-M486 HydrophobicContact CG-CG 4.1Å; L463-M486 CarbonylContact C-O 3.42Å; L463-M486 WeakPolarHBondContact CA-O 3.26Å; L463-M486 PolarHBondContact N-O 3.29Å; S464-M486 PolarHBondContact N-O 3.29Å; S464-M486 VanDerWaalsContact N-O 3.07Å; S464-M486 VanDerWaalsContact OG-C 3.3Å; S464-M486 VanDerWaalsContact OG-CB 3.26Å; S464-M486 WeakPolarHBondContact OG-CB 3.38Å; S464-M486 PolarHBondContact OG-O 2.94Å; R484-M486 HydrophobicContact CB-CE 4Å; M486-I510 HydrophobicContact CE-CB 4.34Å; M486-I510 HydrophobicContact CE-CG2 3.8Å; M486-I510 HydrophobicContact SD-CG2 3.93Å; M486-D512 HydrophobicContact CB-CB 4.49Å; M486-D512 HydrophobicContact SD-CB 4.06Å
487	L	98.6	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.			trans	-118.7	26.5	-178.4	-67.7	165.5	0	0	0	111.4	L463 L469 F476 L485 R489 V490 L492 F502 D512 L513 N516	L463-L487 HydrophobicContact CB-CD2 3.85Å; L463-L487 HydrophobicContact CD1-CD2 3.92Å; L469-L487 HydrophobicContact CD1-CD2 3.81Å; F476-L487 HydrophobicContact CZ-CD1 4.38Å; L485-L487 HydrophobicContact CD1-CD1 4.3Å; L485-L487 HydrophobicContact CD1-CD2 4.47Å; L485-L487 HydrophobicContact CD1-CG 4.12Å; L485-L487 HydrophobicContact CD2-CD1 3.98Å; L485-L487 HydrophobicContact CG-CD1 3.97Å; L485-L487 HydrophobicContact CG-CG 4.11Å; L487-R489 PolarHBondContact O-N 3.14Å; L487-V490 HydrophobicContact CB-CG2 4.13Å; L487-V490 HydrophobicContact CD2-CG2 4.31Å; L487-V490 VanDerWaalsContact O-CG2 3.25Å; L487-V490 WeakPolarHBondContact O-CG2 3.07Å; L487-L492 HydrophobicContact CD1-CD1 4.33Å; L487-L492 HydrophobicContact CD1-CD2 4.48Å; L487-L492 HydrophobicContact CD2-CD1 4.45Å; L487-F502 HydrophobicContact CD1-CE1 4.08Å; L487-F502 HydrophobicContact CD1-CZ 4.37Å; L487-D512 CarbonylContact C-O 3.29Å; L487-D512 VanDerWaalsContact CA-O 3.31Å; L487-D512 WeakPolarHBondContact CA-O 3.46Å; L487-D512 WeakPolarHBondContact CB-O 3.45Å; L487-D512 PolarHBondContact N-O 3.12Å; L487-L513 HydrophobicContact CB-CD2 4.08Å; L487-L513 HydrophobicContact CD1-CD2 3.81Å; L487-N516 PolarHBondContact O-ND2 2.83Å
488	R	98.7	Very high	96.7	Very high	60 Å²	60	51.5 Å²	51.5	23%	0.226	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	127.2	-178.9	168.5	170.7	-179.3	85	3.6	112.4	S464 Y465 D512 S514 N515	S464-R488 CarbonylContact C-O 3.5Å; S464-R488 WeakPolarHBondContact CA-O 3.44Å; S464-R488 WeakPolarHBondContact CB-O 3.32Å; S464-R488 PolarHBondContact OG-N 3.27Å; S464-R488 VanDerWaalsContact OG-N 3.16Å; Y465-R488 HydrophobicContact CE2-CG 4.46Å; Y465-R488 PolarHBondContact N-O 3.12Å; Y465-R488 PolarHBondContact OH-NE 2.88Å; R488-D512 VanDerWaalsContact CB-OD2 3.24Å; R488-D512 WeakPolarHBondContact CB-OD2 3.2Å; R488-D512 PolarHBondContact N-O 3.15Å; R488-S514 CarbonylContact C-O 3.57Å; R488-S514 VanDerWaalsContact CA-O 3.31Å; R488-S514 WeakPolarHBondContact CA-O 3.36Å; R488-S514 WeakPolarHBondContact CB-OG 3.48Å; R488-S514 WeakPolarHBondContact CD-OG 3.08Å; R488-S514 VanDerWaalsContact CG-OG 3.26Å; R488-S514 WeakPolarHBondContact CG-OG 3.04Å; R488-S514 PolarHBondContact NH1-OG 3.05Å; R488-N515 PolarHBondContact NH1-OD1 2.94Å; R488-N515 PolarHBondContact NH2-OD1 2.9Å; R488-N515 VanDerWaalsContact NH2-OD1 3.15Å
489	R	98.4	Very high	96.5	Very high	158 Å²	158	50 Å²	50	60%	0.596	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	60.3	177.1	-165.7	-174.9	168	-170.1	-2.7	112	Y465 N466 L487 S514 N515	Y465-R489 WeakPolarHBondContact CA-O 3.35Å; Y465-R489 HydrophobicContact CD1-CB 4.31Å; N466-R489 PolarHBondContact N-O 3.15Å; L487-R489 PolarHBondContact O-N 3.14Å; R489-S514 PolarHBondContact N-O 2.85Å; R489-N515 WeakPolarHBondContact CA-O 3.26Å; R489-N515 HydrophobicContact CB-CB 3.85Å; R489-N515 HydrophobicContact CG-CB 4.34Å
490	V	98.3	Very high	96.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-118.4	16.2	173.5	-52.2	0	0	0	0	112.3	L463 N466 Y468 L469 L487 L492 N516	L463-V490 WeakPolarHBondContact O-CG1 3.4Å; N466-V490 HydrophobicContact CB-CG1 4.2Å; Y468-V490 CarbonylContact C-O 3.55Å; Y468-V490 WeakPolarHBondContact CA-O 3.5Å; L469-V490 HydrophobicContact CB-CB 4.34Å; L469-V490 HydrophobicContact CB-CG2 4.06Å; L469-V490 HydrophobicContact CD1-CB 3.87Å; L469-V490 HydrophobicContact CD1-CG1 4.06Å; L469-V490 HydrophobicContact CD1-CG2 3.95Å; L469-V490 HydrophobicContact CG-CB 4.09Å; L469-V490 HydrophobicContact CG-CG2 4.27Å; L469-V490 PolarHBondContact N-O 3.29Å; L487-V490 HydrophobicContact CB-CG2 4.13Å; L487-V490 HydrophobicContact CD2-CG2 4.31Å; L487-V490 VanDerWaalsContact O-CG2 3.25Å; L487-V490 WeakPolarHBondContact O-CG2 3.07Å; V490-L492 HydrophobicContact CG2-CB 3.95Å; V490-L492 HydrophobicContact CG2-CD1 3.68Å; V490-L492 HydrophobicContact CG2-CG 4.41Å; V490-L492 PolarHBondContact O-N 3.29Å; V490-N516 WeakPolarHBondContact CG2-OD1 3.34Å; V490-N516 PolarHBondContact N-OD1 2.94Å
491	A	97.4	Very high	96.6	Very high	47 Å²	47	42 Å²	42	39%	0.388	22%	0.216	S	C	.	.			trans	46.4	45.9	-176.6	0	0	0	0	0	112.7	N516	A491-N516 PolarHBondContact N-OD1 3.42Å
492	L	97.7	Very high	96.7	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	20%	0.203	C	C	.	.			trans	-57	136.8	-166.5	-162.7	72	0	0	0	113.1	L469 L471 L487 V490 V495 L513 N516 I518	L469-L492 HydrophobicContact CB-CD1 4.16Å; L469-L492 WeakPolarHBondContact O-CA 3.36Å; L471-L492 HydrophobicContact CD1-CD1 3.95Å; L471-L492 HydrophobicContact CD1-CD2 4.08Å; L471-L492 HydrophobicContact CD1-CG 4.19Å; L471-L492 HydrophobicContact CD2-CD1 4.07Å; L471-L492 HydrophobicContact CG-CD1 3.79Å; L471-L492 HydrophobicContact CG-CG 4.32Å; L487-L492 HydrophobicContact CD1-CD1 4.33Å; L487-L492 HydrophobicContact CD1-CD2 4.48Å; L487-L492 HydrophobicContact CD2-CD1 4.45Å; V490-L492 HydrophobicContact CG2-CB 3.95Å; V490-L492 HydrophobicContact CG2-CD1 3.68Å; V490-L492 HydrophobicContact CG2-CG 4.41Å; V490-L492 PolarHBondContact O-N 3.29Å; L492-V495 HydrophobicContact CD2-CB 4.39Å; L492-V495 HydrophobicContact CD2-CG2 4.36Å; L492-L513 HydrophobicContact CD2-CD2 3.92Å; L492-N516 HydrophobicContact CB-CB 3.93Å; L492-N516 PolarHBondContact N-OD1 2.93Å; L492-N516 VanDerWaalsContact N-OD1 3.16Å; L492-I518 HydrophobicContact CD2-CD1 4.19Å
493	K	95.6	Very high	96.5	Very high	106 Å²	106	44.9 Å²	44.9	46%	0.461	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-128	158.6	177	-60.6	-176.2	-176.4	177.3	0	112.2	L469 Q470 L471 V495	L469-K493 PolarHBondContact O-N 3.32Å; Q470-K493 HydrophobicContact CB-CB 4.39Å; Q470-K493 HydrophobicContact CG-CB 4.36Å; L471-K493 PolarHBondContact N-O 3.15Å; K493-V495 VanDerWaalsContact C-N 3.29Å; K493-V495 PolarHBondContact O-N 2.8Å
494	N	95.3	Very high	96.4	Very high	58 Å²	58	43.1 Å²	43.1	31%	0.31	22%	0.22	S	C	.	.			trans	60.2	34.9	175.5	-54.2	10.4	0	0	0	113.3	Q470 L471 D496	Q470-N494 HydrophobicContact CG-CB 4.38Å; Q470-N494 WeakPolarHBondContact CG-ND2 3.44Å; L471-N494 VanDerWaalsContact O-CB 3.25Å; L471-N494 WeakPolarHBondContact O-CB 3.32Å; N494-D496 WeakPolarHBondContact CA-OD1 3.3Å
495	V	95.3	Very high	96.3	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.03	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.9	171.4	74.6	0	0	0	0	111.4	L492 K493 C497 F502 I518 I521 M525	L492-V495 HydrophobicContact CD2-CB 4.39Å; L492-V495 HydrophobicContact CD2-CG2 4.36Å; K493-V495 VanDerWaalsContact C-N 3.29Å; K493-V495 PolarHBondContact O-N 2.8Å; V495-C497 PolarHBondContact O-N 2.77Å; V495-F502 HydrophobicContact CG2-CE2 3.66Å; V495-F502 HydrophobicContact CG2-CZ 4.1Å; V495-I518 HydrophobicContact CG1-CD1 4.5Å; V495-I518 HydrophobicContact CG1-CG2 3.83Å; V495-I521 HydrophobicContact CG1-CG1 4.5Å; V495-M525 HydrophobicContact CG2-CG 4.26Å; V495-M525 HydrophobicContact CG2-SD 3.71Å
496	D	93.2	Very high	96.2	Very high	60 Å²	60	41 Å²	41	32%	0.321	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	24.2	172.7	52.3	-18.2	0	0	0	113.7	N494 N520 N522	N494-D496 WeakPolarHBondContact CA-OD1 3.3Å; D496-N520 HydrophobicContact CB-CB 4.19Å; D496-N520 WeakPolarHBondContact OD2-CB 3.21Å; D496-N520 PolarHBondContact OD2-ND2 3.33Å; D496-N522 PolarHBondContact O-ND2 3.47Å
497	C	91.9	Very high	96.1	Very high	38 Å²	38	43 Å²	43	26%	0.257	23%	0.234	S	C	.	.			trans	-78.4	138.6	168.9	-89.3	0	0	0	0	111.8	V495 P499 S500 P501	V495-C497 PolarHBondContact O-N 2.77Å; C497-P499 CarbonylContact O-C 3.58Å; C497-P499 VanDerWaalsContact O-C 3.23Å; C497-S500 WeakPolarHBondContact O-CA 3.2Å; C497-S500 PolarHBondContact O-N 2.97Å; C497-P501 HydrophobicContact CB-CG 4.33Å
498	S	90.2	Very high	96.1	Very high	79 Å²	79	43 Å²	43	55%	0.552	23%	0.234	S	C	*	.	S	Bend	trans	-112.8	129.4	167.4	-66.2	0	0	0	0	111	N522 D524	S498-N522 PolarHBondContact OG-ND2 3.01Å; S498-D524 WeakPolarHBondContact CB-OD2 3.44Å; S498-D524 PolarHBondContact OG-OD1 2.89Å; S498-D524 PolarHBondContact OG-OD2 3.34Å
499	P	94.4	Very high	96.1	Very high	49 Å²	49	41.2 Å²	41.2	32%	0.318	23%	0.229	S	C	.	.	S	Bend	cis	-65.1	154.9	-8.4	30.2	-35.5	0	0	0	111.9	K473 C497	K473-P499 HydrophobicContact CB-CG 4.2Å; K473-P499 WeakPolarHBondContact CB-O 3.35Å; K473-P499 HydrophobicContact CD-CG 4.33Å; C497-P499 CarbonylContact O-C 3.58Å; C497-P499 VanDerWaalsContact O-C 3.23Å
500	S	96.9	Very high	96.1	Very high	3 Å²	3	35 Å²	35	2%	0.021	21%	0.208	C	C	.	.			trans	-50.1	138.6	179	170.6	0	0	0	0	113	C497 F502 Q503 D524 M525	C497-S500 WeakPolarHBondContact O-CA 3.2Å; C497-S500 PolarHBondContact O-N 2.97Å; S500-F502 PolarHBondContact O-N 3.3Å; S500-F502 PolarHBondContact OG-N 2.78Å; S500-Q503 WeakPolarHBondContact O-CB 3.29Å; S500-Q503 PolarHBondContact O-N 3.18Å; S500-Q503 VanDerWaalsContact O-N 3.13Å; S500-D524 WeakPolarHBondContact CB-O 3.46Å; S500-M525 WeakPolarHBondContact CB-O 3.29Å; S500-M525 PolarHBondContact OG-O 3.33Å
501	P	97.2	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.4	169.3	-25.8	35.6	0	0	0	114.5	L471 T472 C497	L471-P501 HydrophobicContact CB-CB 4.18Å; L471-P501 HydrophobicContact CB-CG 3.87Å; L471-P501 HydrophobicContact CD1-CB 3.93Å; L471-P501 HydrophobicContact CD1-CG 3.99Å; T472-P501 WeakPolarHBondContact O-CB 3.44Å; C497-P501 HydrophobicContact CB-CG 4.33Å
502	F	97.7	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.5	-178.1	-47.2	-59.5	0	0	0	113.8	L471 F476 L485 L487 V495 S500 P504 L505 L511 L513 M525 L526 L529	L471-F502 HydrophobicContact CD1-CE1 4.21Å; L471-F502 HydrophobicContact CD1-CZ 3.9Å; F476-F502 HydrophobicContact CD2-CD1 4.35Å; F476-F502 HydrophobicContact CD2-CE1 4.49Å; F476-F502 HydrophobicContact CE2-CD1 4.41Å; F476-F502 HydrophobicContact CE2-CE1 4.1Å; L485-F502 HydrophobicContact CD2-CD1 4Å; L485-F502 HydrophobicContact CD2-CE1 3.87Å; L487-F502 HydrophobicContact CD1-CE1 4.08Å; L487-F502 HydrophobicContact CD1-CZ 4.37Å; V495-F502 HydrophobicContact CG2-CE2 3.66Å; V495-F502 HydrophobicContact CG2-CZ 4.1Å; S500-F502 PolarHBondContact O-N 3.3Å; S500-F502 PolarHBondContact OG-N 2.78Å; F502-P504 VanDerWaalsContact C-N 3.27Å; F502-P504 VanDerWaalsContact O-N 3.1Å; F502-L505 HydrophobicContact CD1-CD1 4.43Å; F502-L505 VanDerWaalsContact O-CB 3.29Å; F502-L505 WeakPolarHBondContact O-CB 3.36Å; F502-L505 PolarHBondContact O-N 3.05Å; F502-L511 HydrophobicContact CD2-CD2 4.37Å; F502-L511 HydrophobicContact CE1-CD1 4.26Å; F502-L511 HydrophobicContact CE2-CD2 4.48Å; F502-L511 HydrophobicContact CG-CD2 4.48Å; F502-L513 HydrophobicContact CE2-CD1 4.04Å; F502-L513 HydrophobicContact CE2-CD2 4.49Å; F502-L513 HydrophobicContact CZ-CD1 4.19Å; F502-L513 HydrophobicContact CZ-CD2 3.82Å; F502-M525 HydrophobicContact CD2-CG 4.19Å; F502-M525 HydrophobicContact CE2-CG 4.24Å; F502-L526 HydrophobicContact CD2-CD2 4.38Å; F502-L529 HydrophobicContact CB-CD1 4.08Å
503	Q	95.7	Very high	96.2	Very high	100 Å²	100	33.1 Å²	33.1	47%	0.467	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-34.9	-179.8	-171.6	-175	65.9	0	0	114.6	S500 L505	S500-Q503 WeakPolarHBondContact O-CB 3.29Å; S500-Q503 PolarHBondContact O-N 3.18Å; S500-Q503 VanDerWaalsContact O-N 3.13Å; Q503-L505 PolarHBondContact O-N 3.11Å
504	P	96.3	Very high	96.4	Very high	34 Å²	34	28 Å²	28	22%	0.221	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.9	176.4	-22.7	35.6	0	0	0	115.5	A477 F502 G506	A477-P504 HydrophobicContact CB-CG 4.08Å; F502-P504 VanDerWaalsContact C-N 3.27Å; F502-P504 VanDerWaalsContact O-N 3.1Å; P504-G506 PolarHBondContact O-N 2.87Å
505	L	97.1	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.165	C	C	.	.			trans	-102.8	47.3	-165.1	-51.3	-178.7	0	0	0	113.1	F476 V479 L482 L485 F502 Q503 N507 L508 L529	F476-L505 HydrophobicContact CB-CD1 3.92Å; F476-L505 HydrophobicContact CB-CD2 3.92Å; F476-L505 HydrophobicContact CB-CG 4.22Å; F476-L505 HydrophobicContact CD2-CD1 4.45Å; F476-L505 HydrophobicContact CG-CD1 4.27Å; V479-L505 WeakPolarHBondContact O-CD2 3.19Å; L482-L505 HydrophobicContact CB-CD2 4.37Å; L482-L505 HydrophobicContact CD2-CD1 4.36Å; L485-L505 HydrophobicContact CD2-CD1 4.15Å; F502-L505 HydrophobicContact CD1-CD1 4.43Å; F502-L505 VanDerWaalsContact O-CB 3.29Å; F502-L505 WeakPolarHBondContact O-CB 3.36Å; F502-L505 PolarHBondContact O-N 3.05Å; Q503-L505 PolarHBondContact O-N 3.11Å; L505-N507 PolarHBondContact O-N 3.29Å; L505-L508 HydrophobicContact CB-CB 4.17Å; L505-L508 HydrophobicContact CD1-CD1 4.35Å; L505-L508 HydrophobicContact CD1-CD2 4.49Å; L505-L508 VanDerWaalsContact O-CB 3.28Å; L505-L508 WeakPolarHBondContact O-CB 3.2Å; L505-L508 PolarHBondContact O-N 2.95Å; L505-L529 HydrophobicContact CB-CD2 4.35Å; L505-L529 VanDerWaalsContact O-CD2 3.23Å; L505-L529 WeakPolarHBondContact O-CD2 3.47Å
506	G	95.3	Very high	96.7	Very high	35 Å²	35	27.3 Å²	27.3	36%	0.361	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	8.9	179.5	0	0	0	0	0	116.7	P504	P504-G506 PolarHBondContact O-N 2.87Å
507	N	96.9	Very high	96.9	Very high	60 Å²	60	30 Å²	30	32%	0.321	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	2.9	170.4	-67.8	-50.7	0	0	0	113.5	R480 Q483 L505 T509 K531	R480-N507 PolarHBondContact O-ND2 3.33Å; R480-N507 VanDerWaalsContact O-ND2 3.14Å; Q483-N507 HydrophobicContact CG-CB 4.41Å; L505-N507 PolarHBondContact O-N 3.29Å; N507-T509 PolarHBondContact O-N 3.08Å; N507-K531 PolarHBondContact OD1-NZ 3.28Å
508	L	98.5	Very high	97.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	17%	0.169	C	C	.	.			trans	-67.1	124.8	-176.6	-157.3	74.2	0	0	0	111.4	L482 L485 L505 L511 L529 K531 L532	L482-L508 HydrophobicContact CD2-CD1 4.5Å; L482-L508 HydrophobicContact CG-CD1 4.49Å; L485-L508 HydrophobicContact CB-CD1 3.96Å; L505-L508 HydrophobicContact CB-CB 4.17Å; L505-L508 HydrophobicContact CD1-CD1 4.35Å; L505-L508 HydrophobicContact CD1-CD2 4.49Å; L505-L508 VanDerWaalsContact O-CB 3.28Å; L505-L508 WeakPolarHBondContact O-CB 3.2Å; L505-L508 PolarHBondContact O-N 2.95Å; L508-L511 HydrophobicContact CD2-CB 3.85Å; L508-L511 HydrophobicContact CD2-CD1 4.15Å; L508-L511 HydrophobicContact CD2-CD2 4.04Å; L508-L511 HydrophobicContact CD2-CG 4.22Å; L508-L529 HydrophobicContact CB-CD2 4.34Å; L508-L529 HydrophobicContact CD2-CD1 4.36Å; L508-K531 CarbonylContact O-C 3.54Å; L508-K531 VanDerWaalsContact O-C 3.31Å; L508-L532 HydrophobicContact CD2-CD1 4.27Å; L508-L532 HydrophobicContact CG-CD1 4.29Å; L508-L532 WeakPolarHBondContact O-CA 3.48Å; L508-L532 PolarHBondContact O-N 3.23Å
509	T	98.6	Very high	97.4	Very high	21 Å²	21	27 Å²	27	13%	0.129	16%	0.161	C	C	.	.			trans	-110.1	-29.6	178.3	56.7	0	0	0	0	112.5	Q483 N507 E533 I534	Q483-T509 PolarHBondContact O-N 3.2Å; Q483-T509 PolarHBondContact O-OG1 3.02Å; Q483-T509 VanDerWaalsContact O-OG1 3.1Å; N507-T509 PolarHBondContact O-N 3.08Å; T509-E533 WeakPolarHBondContact O-CA 3.47Å; T509-E533 PolarHBondContact O-N 2.97Å; T509-I534 PolarHBondContact O-N 3.3Å
510	I	98.9	Very high	97.4	Very high	27 Å²	27	28.9 Å²	28.9	14%	0.138	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.2	176.4	-51.9	179.9	0	0	0	110.6	Q483 R484 L485 M486 I534	Q483-I510 PolarHBondContact O-N 3.13Å; Q483-I510 VanDerWaalsContact O-N 3.08Å; R484-I510 WeakPolarHBondContact CA-O 3.19Å; R484-I510 HydrophobicContact CB-CB 4.38Å; R484-I510 HydrophobicContact CG-CB 4.06Å; R484-I510 HydrophobicContact CG-CD1 4.1Å; R484-I510 HydrophobicContact CG-CG1 4.14Å; L485-I510 PolarHBondContact N-O 2.97Å; M486-I510 HydrophobicContact CE-CB 4.34Å; M486-I510 HydrophobicContact CE-CG2 3.8Å; M486-I510 HydrophobicContact SD-CG2 3.93Å; I510-I534 HydrophobicContact CB-CB 4.43Å; I510-I534 HydrophobicContact CD1-CD1 4.05Å; I510-I534 HydrophobicContact CG1-CB 4.16Å; I510-I534 HydrophobicContact CG1-CD1 4.14Å; I510-I534 HydrophobicContact CG1-CG1 4.3Å; I510-I534 HydrophobicContact CG2-CB 4.1Å; I510-I534 HydrophobicContact CG2-CG2 4.24Å
511	L	98.8	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.7	175.4	-178.9	55.1	0	0	0	110.9	L485 F502 L508 L513 L526 L532 I534 L535 D536	L485-L511 HydrophobicContact CB-CD1 4.17Å; L485-L511 HydrophobicContact CD2-CD1 4.16Å; L485-L511 HydrophobicContact CG-CD1 4.21Å; F502-L511 HydrophobicContact CD2-CD2 4.37Å; F502-L511 HydrophobicContact CE1-CD1 4.26Å; F502-L511 HydrophobicContact CE2-CD2 4.48Å; F502-L511 HydrophobicContact CG-CD2 4.48Å; L508-L511 HydrophobicContact CD2-CB 3.85Å; L508-L511 HydrophobicContact CD2-CD1 4.15Å; L508-L511 HydrophobicContact CD2-CD2 4.04Å; L508-L511 HydrophobicContact CD2-CG 4.22Å; L511-L513 HydrophobicContact CD1-CD2 3.79Å; L511-L513 HydrophobicContact CD1-CG 4.06Å; L511-L513 HydrophobicContact CD2-CD1 4.2Å; L511-L513 HydrophobicContact CD2-CG 4.37Å; L511-L513 HydrophobicContact CG-CD1 4.33Å; L511-L513 HydrophobicContact CG-CD2 4.27Å; L511-L513 HydrophobicContact CG-CG 3.96Å; L511-L526 HydrophobicContact CD2-CD2 3.63Å; L511-L532 HydrophobicContact CB-CD1 3.8Å; L511-I534 PolarHBondContact N-O 3Å; L511-L535 HydrophobicContact CB-CD1 4.3Å; L511-L535 HydrophobicContact CD2-CD1 4.29Å; L511-L535 HydrophobicContact CG-CD1 4.3Å; L511-D536 PolarHBondContact O-N 3.09Å
512	D	98.8	Very high	97.2	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.8	176.3	-179.8	-0.3	0	0	0	110.5	L485 M486 L487 R488 S514 D536	L485-D512 PolarHBondContact O-N 2.94Å; L485-D512 VanDerWaalsContact O-N 3.09Å; M486-D512 HydrophobicContact CB-CB 4.49Å; M486-D512 HydrophobicContact SD-CB 4.06Å; L487-D512 CarbonylContact C-O 3.29Å; L487-D512 VanDerWaalsContact CA-O 3.31Å; L487-D512 WeakPolarHBondContact CA-O 3.46Å; L487-D512 WeakPolarHBondContact CB-O 3.45Å; L487-D512 PolarHBondContact N-O 3.12Å; R488-D512 VanDerWaalsContact CB-OD2 3.24Å; R488-D512 WeakPolarHBondContact CB-OD2 3.2Å; R488-D512 PolarHBondContact N-O 3.15Å; D512-S514 WeakPolarHBondContact OD1-CB 3Å; D512-S514 PolarHBondContact OD1-N 2.91Å; D512-S514 PolarHBondContact OD1-OG 2.65Å; D512-D536 HydrophobicContact CB-CB 4.1Å
513	L	98.6	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.			trans	-110.4	16	176.3	-59.4	-176.9	0	0	0	112	L487 L492 F502 L511 N516 I518 M525 D536 L537 N540	L487-L513 HydrophobicContact CB-CD2 4.08Å; L487-L513 HydrophobicContact CD1-CD2 3.81Å; L492-L513 HydrophobicContact CD2-CD2 3.92Å; F502-L513 HydrophobicContact CE2-CD1 4.04Å; F502-L513 HydrophobicContact CE2-CD2 4.49Å; F502-L513 HydrophobicContact CZ-CD1 4.19Å; F502-L513 HydrophobicContact CZ-CD2 3.82Å; L511-L513 HydrophobicContact CD1-CD2 3.79Å; L511-L513 HydrophobicContact CD1-CG 4.06Å; L511-L513 HydrophobicContact CD2-CD1 4.2Å; L511-L513 HydrophobicContact CD2-CG 4.37Å; L511-L513 HydrophobicContact CG-CD1 4.33Å; L511-L513 HydrophobicContact CG-CD2 4.27Å; L511-L513 HydrophobicContact CG-CG 3.96Å; L513-N516 VanDerWaalsContact C-ND2 3.3Å; L513-N516 PolarHBondContact O-ND2 3.49Å; L513-I518 HydrophobicContact CB-CD1 4.3Å; L513-M525 HydrophobicContact CD1-CE 4.38Å; L513-M525 HydrophobicContact CD1-SD 4.38Å; L513-D536 CarbonylContact C-O 3.07Å; L513-D536 PolarHBondContact N-O 2.74Å; L513-L537 HydrophobicContact CB-CD2 3.91Å; L513-L537 HydrophobicContact CD1-CD2 4.14Å; L513-N540 PolarHBondContact O-ND2 2.99Å
514	S	98.5	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	158.3	-171.5	65.4	0	0	0	0	114.3	R488 R489 D512 N516 D536 Q538	R488-S514 CarbonylContact C-O 3.57Å; R488-S514 VanDerWaalsContact CA-O 3.31Å; R488-S514 WeakPolarHBondContact CA-O 3.36Å; R488-S514 WeakPolarHBondContact CB-OG 3.48Å; R488-S514 WeakPolarHBondContact CD-OG 3.08Å; R488-S514 VanDerWaalsContact CG-OG 3.26Å; R488-S514 WeakPolarHBondContact CG-OG 3.04Å; R488-S514 PolarHBondContact NH1-OG 3.05Å; R489-S514 PolarHBondContact N-O 2.85Å; D512-S514 WeakPolarHBondContact OD1-CB 3Å; D512-S514 PolarHBondContact OD1-N 2.91Å; D512-S514 PolarHBondContact OD1-OG 2.65Å; S514-N516 PolarHBondContact O-N 3.26Å; S514-N516 PolarHBondContact O-ND2 3.32Å; S514-D536 PolarHBondContact N-O 3.15Å; S514-Q538 CarbonylContact C-O 3.59Å; S514-Q538 VanDerWaalsContact CA-O 3.22Å; S514-Q538 WeakPolarHBondContact CA-O 3.43Å; S514-Q538 VanDerWaalsContact CB-O 3.32Å; S514-Q538 WeakPolarHBondContact CB-O 2.88Å
515	N	98.4	Very high	96.8	Very high	41 Å²	41	31.3 Å²	31.3	22%	0.219	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.9	176.3	-73.5	97.6	0	0	0	114.9	R488 R489 Q538 H539	R488-N515 PolarHBondContact NH1-OD1 2.94Å; R488-N515 PolarHBondContact NH2-OD1 2.9Å; R488-N515 VanDerWaalsContact NH2-OD1 3.15Å; R489-N515 WeakPolarHBondContact CA-O 3.26Å; R489-N515 HydrophobicContact CB-CB 3.85Å; R489-N515 HydrophobicContact CG-CB 4.34Å; N515-Q538 PolarHBondContact N-O 3.03Å; N515-H539 VanDerWaalsContact CA-O 3.3Å; N515-H539 WeakPolarHBondContact CA-O 3.44Å; N515-H539 HydrophobicContact CB-CB 4.28Å; N515-H539 WeakPolarHBondContact ND2-CB 3.28Å; N515-H539 PolarHBondContact ND2-CD2 2.96Å; N515-H539 VanDerWaalsContact ND2-CD2 3.29Å; N515-H539 VanDerWaalsContact ND2-CG 3.3Å; N515-H539 PolarHBondContact OD1-CD2 2.8Å
516	N	98.3	Very high	96.7	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	18%	0.183	C	C	.	.	S	Bend	trans	-101.5	-4.1	-178.9	-79.2	-54.7	0	0	0	114.8	L487 V490 A491 L492 L513 S514 I518 N540	L487-N516 PolarHBondContact O-ND2 2.83Å; V490-N516 WeakPolarHBondContact CG2-OD1 3.34Å; V490-N516 PolarHBondContact N-OD1 2.94Å; A491-N516 PolarHBondContact N-OD1 3.42Å; L492-N516 HydrophobicContact CB-CB 3.93Å; L492-N516 PolarHBondContact N-OD1 2.93Å; L492-N516 VanDerWaalsContact N-OD1 3.16Å; L513-N516 VanDerWaalsContact C-ND2 3.3Å; L513-N516 PolarHBondContact O-ND2 3.49Å; S514-N516 PolarHBondContact O-N 3.26Å; S514-N516 PolarHBondContact O-ND2 3.32Å; N516-I518 HydrophobicContact CB-CD1 3.85Å; N516-I518 HydrophobicContact CB-CG1 3.71Å; N516-I518 PolarHBondContact O-N 2.77Å; N516-N540 VanDerWaalsContact C-OD1 3.32Å; N516-N540 WeakPolarHBondContact CA-OD1 3.45Å; N516-N540 WeakPolarHBondContact CB-OD1 3.45Å; N516-N540 PolarHBondContact N-OD1 3.39Å
517	N	97.1	Very high	96.7	Very high	115 Å²	115	35.1 Å²	35.1	62%	0.615	19%	0.191	S	C	*	.			trans	60	22.6	-176.7	-56.5	-13	0	0	0	114.1	A519 N540 N541	N517-A519 PolarHBondContact O-N 3.5Å; N517-N540 PolarHBondContact N-OD1 3.1Å; N517-N541 WeakPolarHBondContact CA-ND2 3.38Å; N517-N541 WeakPolarHBondContact CB-ND2 3.44Å; N517-N541 PolarHBondContact O-ND2 3.32Å
518	I	97.6	Very high	96.3	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.046	20%	0.199	C	C	.	.			trans	-57.8	129.3	-177.8	-61.7	164.7	0	0	0	110	L492 V495 L513 N516 N520 I521 N540 N541 L542	L492-I518 HydrophobicContact CD2-CD1 4.19Å; V495-I518 HydrophobicContact CG1-CD1 4.5Å; V495-I518 HydrophobicContact CG1-CG2 3.83Å; L513-I518 HydrophobicContact CB-CD1 4.3Å; N516-I518 HydrophobicContact CB-CD1 3.85Å; N516-I518 HydrophobicContact CB-CG1 3.71Å; N516-I518 PolarHBondContact O-N 2.77Å; I518-N520 VanDerWaalsContact CG2-O 3.28Å; I518-N520 WeakPolarHBondContact CG2-O 3.25Å; I518-I521 HydrophobicContact CG2-CD1 4.16Å; I518-I521 HydrophobicContact CG2-CG1 3.78Å; I518-N540 HydrophobicContact CB-CB 4.17Å; I518-N540 WeakPolarHBondContact CB-OD1 3.43Å; I518-N540 WeakPolarHBondContact CG1-OD1 3.46Å; I518-N540 PolarHBondContact N-OD1 2.83Å; I518-N541 CarbonylContact O-C 3.3Å; I518-N541 WeakPolarHBondContact O-CA 3.43Å; I518-N541 PolarHBondContact O-N 2.73Å; I518-L542 HydrophobicContact CB-CD2 4.36Å; I518-L542 HydrophobicContact CG2-CD2 4.01Å; I518-L542 WeakPolarHBondContact O-CD2 3.17Å
519	A	95.9	Very high	96.2	Very high	46 Å²	46	34.6 Å²	34.6	38%	0.38	20%	0.2	S	C	.	.			trans	-116.5	-19.8	-178.8	0	0	0	0	0	114	N517 N541	N517-A519 PolarHBondContact O-N 3.5Å; A519-N541 HydrophobicContact CB-CB 4.17Å
520	N	94.6	Very high	96.1	Very high	88 Å²	88	39.8 Å²	39.8	47%	0.471	22%	0.222	S	C	.	.			trans	-121.7	136	177.2	-62.6	-16.5	0	0	0	109.3	D496 I518	D496-N520 HydrophobicContact CB-CB 4.19Å; D496-N520 WeakPolarHBondContact OD2-CB 3.21Å; D496-N520 PolarHBondContact OD2-ND2 3.33Å; I518-N520 VanDerWaalsContact CG2-O 3.28Å; I518-N520 WeakPolarHBondContact CG2-O 3.25Å
521	I	95.4	Very high	96	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	24%	0.236	C	C	.	.			trans	-144	142.3	171.8	-69.7	-179	0	0	0	106	V495 I518 M525 L537 L542 L545 F557	V495-I521 HydrophobicContact CG1-CG1 4.5Å; I518-I521 HydrophobicContact CG2-CD1 4.16Å; I518-I521 HydrophobicContact CG2-CG1 3.78Å; I521-M525 HydrophobicContact CB-SD 4.28Å; I521-M525 HydrophobicContact CD1-CE 3.85Å; I521-M525 HydrophobicContact CD1-SD 3.86Å; I521-M525 HydrophobicContact CG1-CE 4.46Å; I521-M525 HydrophobicContact CG1-SD 3.88Å; I521-M525 HydrophobicContact CG2-CB 3.81Å; I521-M525 HydrophobicContact CG2-CE 3.81Å; I521-M525 HydrophobicContact CG2-CG 4.25Å; I521-M525 HydrophobicContact CG2-SD 3.56Å; I521-M525 VanDerWaalsContact CG2-SD 3.56Å; I521-L537 HydrophobicContact CD1-CD2 4.44Å; I521-L542 HydrophobicContact CD1-CD1 3.97Å; I521-L542 HydrophobicContact CD1-CD2 3.47Å; I521-L542 VanDerWaalsContact CD1-CD2 3.47Å; I521-L542 HydrophobicContact CD1-CG 4.39Å; I521-L542 HydrophobicContact CG1-CD2 3.95Å; I521-L545 HydrophobicContact CB-CD1 3.79Å; I521-L545 HydrophobicContact CG1-CD1 4.26Å; I521-F557 HydrophobicContact CG2-CB 3.72Å; I521-F557 HydrophobicContact CG2-CD1 4.09Å; I521-F557 HydrophobicContact CG2-CG 4Å
522	N	94	Very high	96	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.262	24%	0.236	S	C	.	.			trans	-94.4	157.7	173.3	-57.9	-12.1	0	0	0	110.5	D496 S498 D524 M525	D496-N522 PolarHBondContact O-ND2 3.47Å; S498-N522 PolarHBondContact OG-ND2 3.01Å; N522-D524 WeakPolarHBondContact CB-OD1 3.38Å; N522-D524 PolarHBondContact O-N 2.72Å; N522-M525 WeakPolarHBondContact O-CB 3.05Å; N522-M525 PolarHBondContact O-N 3.01Å; N522-M525 VanDerWaalsContact O-N 3.16Å
523	D	91.9	Very high	96	Very high	95 Å²	95	46.4 Å²	46.4	51%	0.508	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.6	175.7	-64.4	-63.8	0	0	0	113.2	M525 V555 Y556	D523-M525 VanDerWaalsContact C-N 3.33Å; D523-M525 PolarHBondContact O-N 2.72Å; D523-V555 WeakPolarHBondContact OD1-CA 3.45Å; D523-V555 WeakPolarHBondContact OD1-CG1 3.26Å; D523-Y556 PolarHBondContact OD1-N 2.83Å
524	D	92.8	Very high	96	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.203	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.7	179.7	67.9	-38.9	0	0	0	114.3	S498 S500 N522 L526 E527	S498-D524 WeakPolarHBondContact CB-OD2 3.44Å; S498-D524 PolarHBondContact OG-OD1 2.89Å; S498-D524 PolarHBondContact OG-OD2 3.34Å; S500-D524 WeakPolarHBondContact CB-O 3.46Å; N522-D524 WeakPolarHBondContact CB-OD1 3.38Å; N522-D524 PolarHBondContact O-N 2.72Å; D524-L526 VanDerWaalsContact C-N 3.29Å; D524-L526 PolarHBondContact O-N 2.87Å; D524-E527 PolarHBondContact O-N 3.26Å
525	M	95.9	Very high	96	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.2	-173.5	-174.6	-175.7	71.9	0	0	113.5	V495 S500 F502 L513 I521 N522 D523 F557	V495-M525 HydrophobicContact CG2-CG 4.26Å; V495-M525 HydrophobicContact CG2-SD 3.71Å; S500-M525 WeakPolarHBondContact CB-O 3.29Å; S500-M525 PolarHBondContact OG-O 3.33Å; F502-M525 HydrophobicContact CD2-CG 4.19Å; F502-M525 HydrophobicContact CE2-CG 4.24Å; L513-M525 HydrophobicContact CD1-CE 4.38Å; L513-M525 HydrophobicContact CD1-SD 4.38Å; I521-M525 HydrophobicContact CB-SD 4.28Å; I521-M525 HydrophobicContact CD1-CE 3.85Å; I521-M525 HydrophobicContact CD1-SD 3.86Å; I521-M525 HydrophobicContact CG1-CE 4.46Å; I521-M525 HydrophobicContact CG1-SD 3.88Å; I521-M525 HydrophobicContact CG2-CB 3.81Å; I521-M525 HydrophobicContact CG2-CE 3.81Å; I521-M525 HydrophobicContact CG2-CG 4.25Å; I521-M525 HydrophobicContact CG2-SD 3.56Å; I521-M525 VanDerWaalsContact CG2-SD 3.56Å; N522-M525 WeakPolarHBondContact O-CB 3.05Å; N522-M525 PolarHBondContact O-N 3.01Å; N522-M525 VanDerWaalsContact O-N 3.16Å; D523-M525 VanDerWaalsContact C-N 3.33Å; D523-M525 PolarHBondContact O-N 2.72Å; M525-F557 HydrophobicContact CE-CD2 4.44Å
526	L	96.5	Very high	96	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	15.8	-176.7	-55.6	177.6	0	0	0	112.7	F502 L511 D524 G528 L529 L532 L535 L561	F502-L526 HydrophobicContact CD2-CD2 4.38Å; L511-L526 HydrophobicContact CD2-CD2 3.63Å; D524-L526 VanDerWaalsContact C-N 3.29Å; D524-L526 PolarHBondContact O-N 2.87Å; L526-G528 PolarHBondContact O-N 3.21Å; L526-L529 HydrophobicContact CB-CD1 4.09Å; L526-L529 HydrophobicContact CD2-CD1 3.62Å; L526-L529 HydrophobicContact CG-CD1 4.46Å; L526-L529 WeakPolarHBondContact O-CB 3.14Å; L526-L529 PolarHBondContact O-N 3.16Å; L526-L532 HydrophobicContact CD1-CD2 4.45Å; L526-L535 HydrophobicContact CD1-CD1 4.31Å; L526-L535 HydrophobicContact CD1-CD2 3.57Å; L526-L561 HydrophobicContact CB-CD1 4.45Å; L526-L561 HydrophobicContact CB-CD2 4.16Å; L526-L561 HydrophobicContact CD1-CD1 3.82Å
527	E	94	Very high	96	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.523	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	129.5	-179.5	-173	169.8	-137.3	0	0	111.4	D524	D524-E527 PolarHBondContact O-N 3.26Å
528	G	90.1	Very high	96.1	Very high	48 Å²	48	42.9 Å²	42.9	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-2.3	-176.6	0	0	0	0	0	115.4	L526 E530	L526-G528 PolarHBondContact O-N 3.21Å; G528-E530 PolarHBondContact O-N 3.46Å; G528-E530 VanDerWaalsContact O-N 3.08Å
529	L	96.3	Very high	96.1	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.244	C	C	.	.			trans	-85.8	48	177.7	-55.9	-176.4	0	0	0	112.5	F502 L505 L508 L526 K531 L532 L561	F502-L529 HydrophobicContact CB-CD1 4.08Å; L505-L529 HydrophobicContact CB-CD2 4.35Å; L505-L529 VanDerWaalsContact O-CD2 3.23Å; L505-L529 WeakPolarHBondContact O-CD2 3.47Å; L508-L529 HydrophobicContact CB-CD2 4.34Å; L508-L529 HydrophobicContact CD2-CD1 4.36Å; L526-L529 HydrophobicContact CB-CD1 4.09Å; L526-L529 HydrophobicContact CD2-CD1 3.62Å; L526-L529 HydrophobicContact CG-CD1 4.46Å; L526-L529 WeakPolarHBondContact O-CB 3.14Å; L526-L529 PolarHBondContact O-N 3.16Å; L529-K531 PolarHBondContact O-N 3.2Å; L529-L532 HydrophobicContact CB-CB 4.38Å; L529-L532 WeakPolarHBondContact O-CB 3.48Å; L529-L532 PolarHBondContact O-N 3.07Å; L529-L561 HydrophobicContact CB-CD2 4.23Å
530	E	94.6	Very high	96.2	Very high	129 Å²	129	43.8 Å²	43.8	60%	0.603	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.1	-174	-63.4	-178.5	-178.3	0	0	114.2	G528 H563	G528-E530 PolarHBondContact O-N 3.46Å; G528-E530 VanDerWaalsContact O-N 3.08Å; E530-H563 PolarHBondContact O-ND1 2.97Å
531	K	97.6	Very high	96.4	Very high	101 Å²	101	43.7 Å²	43.7	44%	0.439	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.7	-179.2	-59.6	-176.7	-170.1	172	0	114.4	N507 L508 L529 E533	N507-K531 PolarHBondContact OD1-NZ 3.28Å; L508-K531 CarbonylContact O-C 3.54Å; L508-K531 VanDerWaalsContact O-C 3.31Å; L529-K531 PolarHBondContact O-N 3.2Å; K531-E533 PolarHBondContact O-N 2.87Å
532	L	98.6	Very high	96.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.			trans	-69	114.2	-176.7	-168.3	69.9	0	0	0	110.4	L508 L511 L526 L529 L535 L561 H563 L564	L508-L532 HydrophobicContact CD2-CD1 4.27Å; L508-L532 HydrophobicContact CG-CD1 4.29Å; L508-L532 WeakPolarHBondContact O-CA 3.48Å; L508-L532 PolarHBondContact O-N 3.23Å; L511-L532 HydrophobicContact CB-CD1 3.8Å; L526-L532 HydrophobicContact CD1-CD2 4.45Å; L529-L532 HydrophobicContact CB-CB 4.38Å; L529-L532 WeakPolarHBondContact O-CB 3.48Å; L529-L532 PolarHBondContact O-N 3.07Å; L532-L535 HydrophobicContact CD2-CB 4.12Å; L532-L535 HydrophobicContact CD2-CD1 4.31Å; L532-L535 HydrophobicContact CD2-CD2 4.35Å; L532-L535 HydrophobicContact CD2-CG 4.5Å; L532-L561 HydrophobicContact CB-CD2 4.34Å; L532-L561 HydrophobicContact CD2-CD1 4.32Å; L532-L561 HydrophobicContact CD2-CD2 4.32Å; L532-H563 CarbonylContact O-C 3.59Å; L532-L564 HydrophobicContact CD2-CD1 4.31Å; L532-L564 HydrophobicContact CG-CD1 4.14Å; L532-L564 WeakPolarHBondContact O-CA 3.26Å; L532-L564 WeakPolarHBondContact O-CD1 3.46Å; L532-L564 PolarHBondContact O-N 3.19Å
533	E	98.5	Very high	96.6	Very high	84 Å²	84	42 Å²	42	39%	0.393	22%	0.22	S	C	.	.			trans	-93.9	-33.3	-179.4	-61.3	-175	170.9	0	0	112.2	T509 K531 H565 I566	T509-E533 WeakPolarHBondContact O-CA 3.47Å; T509-E533 PolarHBondContact O-N 2.97Å; K531-E533 PolarHBondContact O-N 2.87Å; E533-H565 WeakPolarHBondContact O-CA 3.45Å; E533-H565 PolarHBondContact O-N 2.95Å; E533-I566 PolarHBondContact O-N 2.77Å
534	I	98.9	Very high	96.8	Very high	40 Å²	40	44 Å²	44	21%	0.205	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127	-176	-53.9	-176.7	0	0	0	110.5	T509 I510 L511 I566	T509-I534 PolarHBondContact O-N 3.3Å; I510-I534 HydrophobicContact CB-CB 4.43Å; I510-I534 HydrophobicContact CD1-CD1 4.05Å; I510-I534 HydrophobicContact CG1-CB 4.16Å; I510-I534 HydrophobicContact CG1-CD1 4.14Å; I510-I534 HydrophobicContact CG1-CG1 4.3Å; I510-I534 HydrophobicContact CG2-CB 4.1Å; I510-I534 HydrophobicContact CG2-CG2 4.24Å; L511-I534 PolarHBondContact N-O 3Å; I534-I566 WeakPolarHBondContact CA-O 3.17Å; I534-I566 HydrophobicContact CB-CB 4.48Å; I534-I566 HydrophobicContact CD1-CD1 4.07Å; I534-I566 HydrophobicContact CG1-CB 4.16Å; I534-I566 HydrophobicContact CG1-CD1 4.21Å; I534-I566 HydrophobicContact CG1-CG1 4.34Å; I534-I566 HydrophobicContact CG2-CB 4.22Å; I534-I566 HydrophobicContact CG2-CG2 4.39Å
535	L	98.8	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	110.7	176	179.4	58.1	0	0	0	111.1	L511 L526 L532 L537 L558 L561 L564 I566 L567 N568	L511-L535 HydrophobicContact CB-CD1 4.3Å; L511-L535 HydrophobicContact CD2-CD1 4.29Å; L511-L535 HydrophobicContact CG-CD1 4.3Å; L526-L535 HydrophobicContact CD1-CD1 4.31Å; L526-L535 HydrophobicContact CD1-CD2 3.57Å; L532-L535 HydrophobicContact CD2-CB 4.12Å; L532-L535 HydrophobicContact CD2-CD1 4.31Å; L532-L535 HydrophobicContact CD2-CD2 4.35Å; L532-L535 HydrophobicContact CD2-CG 4.5Å; L535-L537 HydrophobicContact CD1-CD1 4.03Å; L535-L537 HydrophobicContact CD1-CG 4Å; L535-L537 HydrophobicContact CD2-CD1 3.76Å; L535-L537 HydrophobicContact CG-CD1 3.81Å; L535-L537 HydrophobicContact CG-CG 4.09Å; L535-L558 HydrophobicContact CD2-CD2 3.64Å; L535-L561 HydrophobicContact CD2-CD1 4.25Å; L535-L564 HydrophobicContact CB-CD1 3.85Å; L535-I566 PolarHBondContact N-O 3.05Å; L535-L567 HydrophobicContact CB-CD1 4.27Å; L535-L567 HydrophobicContact CD2-CD1 4.03Å; L535-L567 HydrophobicContact CG-CD1 4.21Å; L535-N568 PolarHBondContact O-N 2.85Å
536	D	98.8	Very high	97.1	Very high	33 Å²	33	42.7 Å²	42.7	18%	0.176	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.5	176.4	-86	-69.9	0	0	0	110.3	L511 D512 L513 S514 Q538 N568	L511-D536 PolarHBondContact O-N 3.09Å; D512-D536 HydrophobicContact CB-CB 4.1Å; L513-D536 CarbonylContact C-O 3.07Å; L513-D536 PolarHBondContact N-O 2.74Å; S514-D536 PolarHBondContact N-O 3.15Å; D536-Q538 VanDerWaalsContact C-OE1 3.24Å; D536-Q538 VanDerWaalsContact CA-OE1 3.28Å; D536-Q538 VanDerWaalsContact CB-OE1 3.23Å; D536-Q538 VanDerWaalsContact OD1-CD 3.29Å; D536-Q538 PolarHBondContact OD1-NE2 2.86Å; D536-Q538 PolarHBondContact OD1-OE1 3.03Å; D536-N568 VanDerWaalsContact OD1-CB 3.28Å; D536-N568 WeakPolarHBondContact OD1-CB 3.5Å; D536-N568 PolarHBondContact OD1-ND2 3.44Å; D536-N568 VanDerWaalsContact OD1-ND2 3.16Å
537	L	98.6	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.			trans	-122.8	7.7	-178.8	-82.2	167.5	0	0	0	113.4	L513 I521 L535 N540 L542 F557 N568 L569 N572	L513-L537 HydrophobicContact CB-CD2 3.91Å; L513-L537 HydrophobicContact CD1-CD2 4.14Å; I521-L537 HydrophobicContact CD1-CD2 4.44Å; L535-L537 HydrophobicContact CD1-CD1 4.03Å; L535-L537 HydrophobicContact CD1-CG 4Å; L535-L537 HydrophobicContact CD2-CD1 3.76Å; L535-L537 HydrophobicContact CG-CD1 3.81Å; L535-L537 HydrophobicContact CG-CG 4.09Å; L537-N540 PolarHBondContact O-ND2 3.11Å; L537-L542 HydrophobicContact CB-CD1 4.42Å; L537-L542 HydrophobicContact CD2-CD1 4.23Å; L537-F557 HydrophobicContact CD1-CD2 4.34Å; L537-F557 HydrophobicContact CD1-CE2 3.6Å; L537-F557 HydrophobicContact CD1-CZ 4.29Å; L537-N568 CarbonylContact C-O 3.17Å; L537-N568 WeakPolarHBondContact CA-O 3.35Å; L537-N568 PolarHBondContact N-O 2.91Å; L537-L569 HydrophobicContact CB-CD2 3.78Å; L537-L569 HydrophobicContact CD1-CD2 4.11Å; L537-N572 PolarHBondContact O-ND2 2.54Å
538	Q	97.9	Very high	97	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.075	23%	0.231	C	C	.	.			trans	-60.2	150.1	-179.5	67.7	-79	26	0	0	114	S514 N515 D536 N568 E570	S514-Q538 CarbonylContact C-O 3.59Å; S514-Q538 VanDerWaalsContact CA-O 3.22Å; S514-Q538 WeakPolarHBondContact CA-O 3.43Å; S514-Q538 VanDerWaalsContact CB-O 3.32Å; S514-Q538 WeakPolarHBondContact CB-O 2.88Å; N515-Q538 PolarHBondContact N-O 3.03Å; D536-Q538 VanDerWaalsContact C-OE1 3.24Å; D536-Q538 VanDerWaalsContact CA-OE1 3.28Å; D536-Q538 VanDerWaalsContact CB-OE1 3.23Å; D536-Q538 VanDerWaalsContact OD1-CD 3.29Å; D536-Q538 PolarHBondContact OD1-NE2 2.86Å; D536-Q538 PolarHBondContact OD1-OE1 3.03Å; Q538-N568 PolarHBondContact N-O 3.01Å; Q538-N568 PolarHBondContact NE2-ND2 3.12Å; Q538-N568 VanDerWaalsContact NE2-ND2 3.13Å; Q538-N568 PolarHBondContact OE1-ND2 2.93Å; Q538-E570 CarbonylContact C-O 3.55Å; Q538-E570 WeakPolarHBondContact CA-O 3.39Å; Q538-E570 HydrophobicContact CB-CB 3.85Å; Q538-E570 WeakPolarHBondContact CB-O 3.42Å
539	H	98.3	Very high	97.2	Very high	71 Å²	71	47.9 Å²	47.9	33%	0.329	24%	0.236	S	C	.	.	S	Bend	trans	54.2	47.6	-175	-58.7	-74.5	0	0	0	113.8	N515 E570 S571	N515-H539 VanDerWaalsContact CA-O 3.3Å; N515-H539 WeakPolarHBondContact CA-O 3.44Å; N515-H539 HydrophobicContact CB-CB 4.28Å; N515-H539 WeakPolarHBondContact ND2-CB 3.28Å; N515-H539 PolarHBondContact ND2-CD2 2.96Å; N515-H539 VanDerWaalsContact ND2-CD2 3.29Å; N515-H539 VanDerWaalsContact ND2-CG 3.3Å; N515-H539 PolarHBondContact OD1-CD2 2.8Å; H539-E570 PolarHBondContact N-O 2.92Å; H539-S571 WeakPolarHBondContact CA-O 3.32Å; H539-S571 VanDerWaalsContact CE1-CB 3.47Å; H539-S571 WeakPolarHBondContact CE1-CB 3.11Å; H539-S571 PolarHBondContact CE1-OG 2.83Å; H539-S571 VanDerWaalsContact CE1-OG 3.29Å; H539-S571 WeakPolarHBondContact ND1-CB 3.21Å
540	N	98.6	Very high	97.1	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	24%	0.24	C	C	.	.	S	Bend	trans	-112.5	-172.7	162.5	-72.6	-62.8	0	0	0	109.3	L513 N516 N517 I518 L537 L542 N572	L513-N540 PolarHBondContact O-ND2 2.99Å; N516-N540 VanDerWaalsContact C-OD1 3.32Å; N516-N540 WeakPolarHBondContact CA-OD1 3.45Å; N516-N540 WeakPolarHBondContact CB-OD1 3.45Å; N516-N540 PolarHBondContact N-OD1 3.39Å; N517-N540 PolarHBondContact N-OD1 3.1Å; I518-N540 HydrophobicContact CB-CB 4.17Å; I518-N540 WeakPolarHBondContact CB-OD1 3.43Å; I518-N540 WeakPolarHBondContact CG1-OD1 3.46Å; I518-N540 PolarHBondContact N-OD1 2.83Å; L537-N540 PolarHBondContact O-ND2 3.11Å; N540-L542 HydrophobicContact CB-CD1 4.27Å; N540-L542 HydrophobicContact CB-CD2 4.4Å; N540-L542 HydrophobicContact CB-CG 3.91Å; N540-N572 WeakPolarHBondContact CA-OD1 3.5Å; N540-N572 VanDerWaalsContact CB-OD1 3.29Å; N540-N572 WeakPolarHBondContact CB-OD1 3.31Å; N540-N572 PolarHBondContact N-OD1 2.84Å; N540-N572 WeakPolarHBondContact O-CA 3.22Å; N540-N572 PolarHBondContact O-OD1 2.95Å
541	N	97.5	Very high	97	Very high	87 Å²	87	47.1 Å²	47.1	47%	0.465	24%	0.241	S	C	.	.			trans	-115.3	36.4	-175.8	-67.3	-59.8	0	0	0	111.6	N517 I518 A519 A543	N517-N541 WeakPolarHBondContact CA-ND2 3.38Å; N517-N541 WeakPolarHBondContact CB-ND2 3.44Å; N517-N541 PolarHBondContact O-ND2 3.32Å; I518-N541 CarbonylContact O-C 3.3Å; I518-N541 WeakPolarHBondContact O-CA 3.43Å; I518-N541 PolarHBondContact O-N 2.73Å; A519-N541 HydrophobicContact CB-CB 4.17Å; N541-A543 VanDerWaalsContact C-N 3.25Å; N541-A543 PolarHBondContact O-N 2.87Å
542	L	97.4	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-75	-9	-166	-57.4	178.6	0	0	0	114.5	I518 I521 L537 N540 R544 L545 F557 N572 F574	I518-L542 HydrophobicContact CB-CD2 4.36Å; I518-L542 HydrophobicContact CG2-CD2 4.01Å; I518-L542 WeakPolarHBondContact O-CD2 3.17Å; I521-L542 HydrophobicContact CD1-CD1 3.97Å; I521-L542 HydrophobicContact CD1-CD2 3.47Å; I521-L542 VanDerWaalsContact CD1-CD2 3.47Å; I521-L542 HydrophobicContact CD1-CG 4.39Å; I521-L542 HydrophobicContact CG1-CD2 3.95Å; L537-L542 HydrophobicContact CB-CD1 4.42Å; L537-L542 HydrophobicContact CD2-CD1 4.23Å; N540-L542 HydrophobicContact CB-CD1 4.27Å; N540-L542 HydrophobicContact CB-CD2 4.4Å; N540-L542 HydrophobicContact CB-CG 3.91Å; L542-R544 PolarHBondContact O-N 2.77Å; L542-L545 HydrophobicContact CD2-CD1 3.92Å; L542-L545 WeakPolarHBondContact O-CB 3.19Å; L542-L545 PolarHBondContact O-N 2.99Å; L542-F557 HydrophobicContact CD1-CZ 4.35Å; L542-N572 WeakPolarHBondContact CB-OD1 3.19Å; L542-N572 VanDerWaalsContact CG-OD1 3.25Å; L542-N572 WeakPolarHBondContact CG-OD1 3.31Å; L542-N572 PolarHBondContact N-OD1 3.48Å; L542-F574 HydrophobicContact CB-CE1 3.93Å; L542-F574 HydrophobicContact CB-CZ 3.6Å
543	A	97	Very high	96.5	Very high	19 Å²	19	48 Å²	48	16%	0.157	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-43.6	-42.9	-177.7	0	0	0	0	0	114.8	N541 L545 W546 N572 G573	N541-A543 VanDerWaalsContact C-N 3.25Å; N541-A543 PolarHBondContact O-N 2.87Å; A543-L545 VanDerWaalsContact C-N 3.31Å; A543-L545 PolarHBondContact O-N 3.03Å; A543-W546 PolarHBondContact O-N 3.08Å; A543-N572 PolarHBondContact N-O 2.96Å; A543-G573 WeakPolarHBondContact CB-O 3.44Å
544	R	96.9	Very high	96.4	Very high	138 Å²	138	45.4 Å²	45.4	52%	0.521	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.4	-39.8	179.6	173.6	-179.5	162.8	87.1	1.4	112.8	L542 W546 K547 N550	L542-R544 PolarHBondContact O-N 2.77Å; R544-W546 PolarHBondContact O-N 2.91Å; R544-K547 PolarHBondContact O-N 2.93Å; R544-N550 PolarHBondContact NE-OD1 3.21Å
545	L	96.6	Very high	96.3	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.042	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-70.6	-17.8	-170.4	-55	-178.4	0	0	0	112.9	I521 L542 A543 P554 V555	I521-L545 HydrophobicContact CB-CD1 3.79Å; I521-L545 HydrophobicContact CG1-CD1 4.26Å; L542-L545 HydrophobicContact CD2-CD1 3.92Å; L542-L545 WeakPolarHBondContact O-CB 3.19Å; L542-L545 PolarHBondContact O-N 2.99Å; A543-L545 VanDerWaalsContact C-N 3.31Å; A543-L545 PolarHBondContact O-N 3.03Å; L545-P554 CarbonylContact O-C 3.59Å; L545-P554 VanDerWaalsContact O-CA 3.27Å; L545-P554 WeakPolarHBondContact O-CA 3.37Å; L545-V555 HydrophobicContact CB-CB 4.19Å; L545-V555 HydrophobicContact CB-CG2 4.01Å; L545-V555 HydrophobicContact CD2-CG2 4.22Å; L545-V555 PolarHBondContact O-N 3.15Å
546	W	97.3	Very high	96.2	Very high	2 Å²	2	48 Å²	48	1%	0.008	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-102.3	-0.8	-178.9	-82.8	10.7	0	0	0	114	A543 R544 V555 F557 L558 L569 F574 I577 P578 V581 F582	A543-W546 PolarHBondContact O-N 3.08Å; R544-W546 PolarHBondContact O-N 2.91Å; W546-V555 PolarHBondContact NE1-O 2.81Å; W546-F557 AromaticContact CE2-CE1 3.87Å; W546-F557 AromaticContact CE2-CZ 3.97Å; W546-F557 HydrophobicContact CZ2-CE1 4.12Å; W546-F557 AromaticContact CZ2-CZ 3.76Å; W546-F557 HydrophobicContact CZ2-CZ 3.76Å; W546-F557 AromaticContact NE1-CE1 3.27Å; W546-F557 VanDerWaalsContact NE1-CE1 3.27Å; W546-F557 AromaticContact NE1-CZ 3.85Å; W546-L558 HydrophobicContact CH2-CD1 4.36Å; W546-L558 HydrophobicContact CZ2-CD1 4.02Å; W546-L569 HydrophobicContact CH2-CD1 3.51Å; W546-L569 HydrophobicContact CZ2-CD1 4.3Å; W546-L569 HydrophobicContact CZ3-CD1 4.19Å; W546-F574 HydrophobicContact CB-CD1 3.95Å; W546-F574 HydrophobicContact CB-CE1 3.86Å; W546-F574 AromaticContact CD2-CD1 3.91Å; W546-F574 HydrophobicContact CD2-CD1 3.91Å; W546-F574 AromaticContact CD2-CE1 3.38Å; W546-F574 HydrophobicContact CD2-CE1 3.38Å; W546-F574 AromaticContact CD2-CZ 3.87Å; W546-F574 HydrophobicContact CD2-CZ 3.87Å; W546-F574 AromaticContact CE3-CD1 3.48Å; W546-F574 HydrophobicContact CE3-CD1 3.48Å; W546-F574 VanDerWaalsContact CE3-CD1 3.48Å; W546-F574 HydrophobicContact CE3-CD2 4.33Å; W546-F574 AromaticContact CE3-CE1 3.33Å; W546-F574 HydrophobicContact CE3-CE1 3.33Å; W546-F574 HydrophobicContact CE3-CE2 4.18Å; W546-F574 HydrophobicContact CE3-CG 4.01Å; W546-F574 AromaticContact CE3-CZ 3.7Å; W546-F574 HydrophobicContact CE3-CZ 3.7Å; W546-F574 HydrophobicContact CG-CD1 4.14Å; W546-F574 AromaticContact CG-CE1 3.62Å; W546-F574 HydrophobicContact CG-CE1 3.62Å; W546-F574 HydrophobicContact CG-CZ 4.47Å; W546-F574 HydrophobicContact CH2-CZ 4.39Å; W546-F574 HydrophobicContact CZ3-CD1 4.29Å; W546-F574 HydrophobicContact CZ3-CD2 4.36Å; W546-F574 HydrophobicContact CZ3-CE1 4.08Å; W546-F574 HydrophobicContact CZ3-CE2 4.13Å; W546-F574 HydrophobicContact CZ3-CG 4.45Å; W546-F574 AromaticContact CZ3-CZ 3.98Å; W546-F574 HydrophobicContact CZ3-CZ 3.98Å; W546-I577 HydrophobicContact CE3-CG1 4.21Å; W546-I577 HydrophobicContact CE3-CG2 4.45Å; W546-I577 HydrophobicContact CZ3-CD1 4.48Å; W546-I577 HydrophobicContact CZ3-CG1 4.2Å; W546-I577 HydrophobicContact CZ3-CG2 4.29Å; W546-P578 HydrophobicContact CB-CG 4.14Å; W546-P578 HydrophobicContact CG-CG 4.1Å; W546-V581 HydrophobicContact CH2-CG1 4.05Å; W546-V581 HydrophobicContact CH2-CG2 4.32Å; W546-V581 HydrophobicContact CZ2-CB 4.48Å; W546-V581 HydrophobicContact CZ2-CG1 4.12Å; W546-V581 HydrophobicContact CZ2-CG2 3.56Å; W546-V581 HydrophobicContact CZ3-CG1 4.44Å; W546-F582 AromaticContact CH2-CE1 3.87Å; W546-F582 HydrophobicContact CH2-CE1 3.87Å; W546-F582 AromaticContact CH2-CZ 3.96Å; W546-F582 HydrophobicContact CH2-CZ 3.96Å; W546-F582 HydrophobicContact CZ3-CZ 4.26Å
547	K	95.6	Very high	96	Very high	55 Å²	55	46.5 Å²	46.5	24%	0.239	27%	0.27	C	S	.	.	S	Bend	trans	-75.1	139.3	175.5	-67.1	-175.9	165.5	-76.8	0	111.7	R544 A549 N550 D575 E576	R544-K547 PolarHBondContact O-N 2.93Å; K547-A549 PolarHBondContact O-N 2.82Å; K547-A549 VanDerWaalsContact O-N 3.13Å; K547-N550 WeakPolarHBondContact O-CB 3.5Å; K547-N550 PolarHBondContact O-N 3.41Å; K547-D575 WeakPolarHBondContact CE-OD1 3.25Å; K547-D575 IonicContact NZ-OD1 2.7Å; K547-D575 PolarHBondContact NZ-OD1 3.16Å; K547-D575 IonicContact NZ-OD2 2.65Å; K547-D575 PolarHBondContact NZ-OD2 3.37Å; K547-E576 VanDerWaalsContact CA-OE2 3.31Å; K547-E576 WeakPolarHBondContact CA-OE2 3.19Å; K547-E576 WeakPolarHBondContact CG-OE1 3.45Å; K547-E576 IonicContact NZ-OE1 3.63Å; K547-E576 PolarHBondContact NZ-OE1 2.8Å
548	H	93.5	Very high	96	Very high	145 Å²	145	46.5 Å²	46.5	67%	0.671	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.2	171	70.6	-76.9	0	0	0	112.7	N550 E576	H548-N550 VanDerWaalsContact C-N 3.34Å; H548-E576 IonicContact CE1-OE1 3.84Å; H548-E576 IonicContact CE1-OE2 3.36Å; H548-E576 IonicContact CG-OE2 3.53Å; H548-E576 PolarHBondContact N-OE2 3.24Å; H548-E576 IonicContact ND1-OE1 3.11Å; H548-E576 IonicContact ND1-OE2 3.8Å; H548-E576 PolarHBondContact ND1-OE2 3.07Å
549	A	94.3	Very high	95.8	Very high	73 Å²	73	52.7 Å²	52.7	60%	0.603	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	7	179.3	0	0	0	0	0	114.6	K547	K547-A549 PolarHBondContact O-N 2.82Å; K547-A549 VanDerWaalsContact O-N 3.13Å
550	N	94.8	Very high	95.6	Very high	18 Å²	18	51 Å²	51	10%	0.096	30%	0.298	C	S	.	.	S	Bend	trans	-68.1	132.9	173.9	-173.8	55.9	0	0	0	110.5	R544 K547 H548 G552 G553	R544-N550 PolarHBondContact NE-OD1 3.21Å; K547-N550 WeakPolarHBondContact O-CB 3.5Å; K547-N550 PolarHBondContact O-N 3.41Å; H548-N550 VanDerWaalsContact C-N 3.34Å; N550-G552 PolarHBondContact O-N 2.98Å; N550-G553 WeakPolarHBondContact CB-O 3.38Å; N550-G553 PolarHBondContact ND2-O 2.87Å; N550-G553 WeakPolarHBondContact O-CA 3.35Å; N550-G553 PolarHBondContact O-N 2.89Å
551	P	91.4	Very high	95.4	Very high	97 Å²	97	50.9 Å²	50.9	63%	0.63	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	123.9	177.1	-23.9	35.1	0	0	0	111.7
552	G	91.6	Very high	95.2	Very high	95 Å²	95	48.7 Å²	48.7	98%	0.979	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-15.5	-170.9	0	0	0	0	0	114.1	N550	N550-G552 PolarHBondContact O-N 2.98Å
553	G	94.5	Very high	95.2	Very high	23 Å²	23	52.6 Å²	52.6	24%	0.237	31%	0.307	C	S	.	.	S	Bend	trans	101.1	-179	-171.9	0	0	0	0	0	112.4	N550	N550-G553 WeakPolarHBondContact CB-O 3.38Å; N550-G553 PolarHBondContact ND2-O 2.87Å; N550-G553 WeakPolarHBondContact O-CA 3.35Å; N550-G553 PolarHBondContact O-N 2.89Å
554	P	96.6	Very high	95.3	Very high	30 Å²	30	51.7 Å²	51.7	20%	0.195	30%	0.3	C	S	.	.			trans	-66.4	148.6	173.4	-18.8	32.1	0	0	0	112.4	L545 Y556 P578	L545-P554 CarbonylContact O-C 3.59Å; L545-P554 VanDerWaalsContact O-CA 3.27Å; L545-P554 WeakPolarHBondContact O-CA 3.37Å; P554-Y556 HydrophobicContact CB-CE2 4.13Å; P554-Y556 WeakPolarHBondContact O-CD2 3.5Å; P554-Y556 WeakPolarHBondContact O-CE2 3.44Å; P554-P578 HydrophobicContact CB-CB 4.03Å; P554-P578 HydrophobicContact CB-CG 3.5Å; P554-P578 VanDerWaalsContact CB-CG 3.5Å; P554-P578 HydrophobicContact CG-CB 4.25Å; P554-P578 HydrophobicContact CG-CG 4.05Å
555	V	96.4	Very high	95.3	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.079	28%	0.281	C	S	.	.			trans	-90.3	124.1	178	-175.4	0	0	0	0	110.3	D523 L545 W546 F557	D523-V555 WeakPolarHBondContact OD1-CA 3.45Å; D523-V555 WeakPolarHBondContact OD1-CG1 3.26Å; L545-V555 HydrophobicContact CB-CB 4.19Å; L545-V555 HydrophobicContact CB-CG2 4.01Å; L545-V555 HydrophobicContact CD2-CG2 4.22Å; L545-V555 PolarHBondContact O-N 3.15Å; W546-V555 PolarHBondContact NE1-O 2.81Å; V555-F557 HydrophobicContact CG1-CB 4.3Å; V555-F557 HydrophobicContact CG1-CD1 4.13Å; V555-F557 PolarHBondContact O-N 2.86Å
556	Y	96.2	Very high	95.4	Very high	81 Å²	81	48.7 Å²	48.7	32%	0.318	29%	0.293	S	S	.	.			trans	-102.3	46.5	-173.7	-67.3	-86.6	0	0	0	112.4	D523 P554 L558 K559 P578 E580 V581	D523-Y556 PolarHBondContact OD1-N 2.83Å; P554-Y556 HydrophobicContact CB-CE2 4.13Å; P554-Y556 WeakPolarHBondContact O-CD2 3.5Å; P554-Y556 WeakPolarHBondContact O-CE2 3.44Å; Y556-L558 PolarHBondContact O-N 3.34Å; Y556-K559 VanDerWaalsContact O-CB 3.27Å; Y556-K559 WeakPolarHBondContact O-CB 3.42Å; Y556-K559 PolarHBondContact O-N 2.83Å; Y556-P578 HydrophobicContact CE1-CB 3.87Å; Y556-E580 HydrophobicContact CE1-CB 4.06Å; Y556-V581 HydrophobicContact CD1-CB 4.35Å; Y556-V581 HydrophobicContact CD1-CG2 4.25Å; Y556-V581 HydrophobicContact CE1-CB 4.47Å
557	F	96.1	Very high	95.5	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-4.6	-175.5	63.9	-101	0	0	0	116	I521 M525 L537 L542 W546 V555	I521-F557 HydrophobicContact CG2-CB 3.72Å; I521-F557 HydrophobicContact CG2-CD1 4.09Å; I521-F557 HydrophobicContact CG2-CG 4Å; M525-F557 HydrophobicContact CE-CD2 4.44Å; L537-F557 HydrophobicContact CD1-CD2 4.34Å; L537-F557 HydrophobicContact CD1-CE2 3.6Å; L537-F557 HydrophobicContact CD1-CZ 4.29Å; L542-F557 HydrophobicContact CD1-CZ 4.35Å; W546-F557 AromaticContact CE2-CE1 3.87Å; W546-F557 AromaticContact CE2-CZ 3.97Å; W546-F557 HydrophobicContact CZ2-CE1 4.12Å; W546-F557 AromaticContact CZ2-CZ 3.76Å; W546-F557 HydrophobicContact CZ2-CZ 3.76Å; W546-F557 AromaticContact NE1-CE1 3.27Å; W546-F557 VanDerWaalsContact NE1-CE1 3.27Å; W546-F557 AromaticContact NE1-CZ 3.85Å; V555-F557 HydrophobicContact CG1-CB 4.3Å; V555-F557 HydrophobicContact CG1-CD1 4.13Å; V555-F557 PolarHBondContact O-N 2.86Å
558	L	97.1	Very high	95.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.5	175.9	-62.7	176.6	0	0	0	113.7	L535 W546 Y556 L561 L567 V581 F582 L585	L535-L558 HydrophobicContact CD2-CD2 3.64Å; W546-L558 HydrophobicContact CH2-CD1 4.36Å; W546-L558 HydrophobicContact CZ2-CD1 4.02Å; Y556-L558 PolarHBondContact O-N 3.34Å; L558-L561 HydrophobicContact CB-CD1 4.49Å; L558-L561 HydrophobicContact CD2-CD1 3.99Å; L558-L561 WeakPolarHBondContact O-CG 3.24Å; L558-L561 PolarHBondContact O-N 3.29Å; L558-L567 HydrophobicContact CD1-CD2 3.71Å; L558-L567 HydrophobicContact CD2-CD1 4.03Å; L558-L567 HydrophobicContact CD2-CD2 4.41Å; L558-V581 HydrophobicContact CD1-CG2 4.43Å; L558-F582 HydrophobicContact CD1-CD1 3.98Å; L558-F582 HydrophobicContact CD1-CE1 3.91Å; L558-L585 HydrophobicContact CB-CD1 4.45Å; L558-L585 HydrophobicContact CD1-CD1 4.2Å
559	K	94.4	Very high	95.9	Very high	145 Å²	145	40.2 Å²	40.2	63%	0.63	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	136	-179.9	-178.3	-169.6	171.7	-157.5	0	111.8	Y556 L561 D584	Y556-K559 VanDerWaalsContact O-CB 3.27Å; Y556-K559 WeakPolarHBondContact O-CB 3.42Å; Y556-K559 PolarHBondContact O-N 2.83Å; K559-L561 VanDerWaalsContact C-N 3.29Å; K559-L561 PolarHBondContact O-N 3.03Å; K559-D584 WeakPolarHBondContact CA-OD2 3.47Å
560	G	92.8	Very high	96.1	Very high	35 Å²	35	38.7 Å²	38.7	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-1.9	176.4	0	0	0	0	0	116.4	S562 D584	G560-S562 PolarHBondContact O-N 3.09Å; G560-D584 PolarHBondContact N-OD2 2.78Å
561	L	96.3	Very high	96.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.24	C	C	.	.			trans	-80.4	61.7	-179.5	-55.4	179	0	0	0	112	L526 L529 L532 L535 L558 K559 H563 L564 L585	L526-L561 HydrophobicContact CB-CD1 4.45Å; L526-L561 HydrophobicContact CB-CD2 4.16Å; L526-L561 HydrophobicContact CD1-CD1 3.82Å; L529-L561 HydrophobicContact CB-CD2 4.23Å; L532-L561 HydrophobicContact CB-CD2 4.34Å; L532-L561 HydrophobicContact CD2-CD1 4.32Å; L532-L561 HydrophobicContact CD2-CD2 4.32Å; L535-L561 HydrophobicContact CD2-CD1 4.25Å; L558-L561 HydrophobicContact CB-CD1 4.49Å; L558-L561 HydrophobicContact CD2-CD1 3.99Å; L558-L561 WeakPolarHBondContact O-CG 3.24Å; L558-L561 PolarHBondContact O-N 3.29Å; K559-L561 VanDerWaalsContact C-N 3.29Å; K559-L561 PolarHBondContact O-N 3.03Å; L561-H563 PolarHBondContact O-N 3.02Å; L561-L564 HydrophobicContact CB-CB 4.13Å; L561-L564 HydrophobicContact CB-CD2 4.48Å; L561-L564 HydrophobicContact CD1-CD2 4.33Å; L561-L564 VanDerWaalsContact O-CB 3.32Å; L561-L564 WeakPolarHBondContact O-CB 3.28Å; L561-L564 PolarHBondContact O-N 2.92Å; L561-L585 HydrophobicContact CB-CD2 3.8Å; L561-L585 VanDerWaalsContact O-CD2 3.3Å; L561-L585 WeakPolarHBondContact O-CD2 3.41Å
562	S	93	Very high	96.6	Very high	41 Å²	41	34.8 Å²	34.8	29%	0.287	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.6	-170.3	51.7	0	0	0	0	114.4	G560 L564	G560-S562 PolarHBondContact O-N 3.09Å; S562-L564 VanDerWaalsContact C-N 3.35Å
563	H	96.9	Very high	96.9	Very high	83 Å²	83	31.4 Å²	31.4	38%	0.384	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.9	179.6	-56.5	97.6	0	0	0	113.9	E530 L532 L561 H565 E587	E530-H563 PolarHBondContact O-ND1 2.97Å; L532-H563 CarbonylContact O-C 3.59Å; L561-H563 PolarHBondContact O-N 3.02Å; H563-H565 PolarHBondContact O-CD2 3.18Å; H563-H565 PolarHBondContact O-N 3Å; H563-H565 PolarHBondContact O-NE2 3.08Å; H563-H565 VanDerWaalsContact O-NE2 3.09Å; H563-E587 IonicContact CD2-OE2 3.79Å
564	L	98.4	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.			trans	-67.4	119.6	-179.1	-166.7	71	0	0	0	110.7	L532 L535 L561 S562 L567 L585 E587 L588	L532-L564 HydrophobicContact CD2-CD1 4.31Å; L532-L564 HydrophobicContact CG-CD1 4.14Å; L532-L564 WeakPolarHBondContact O-CA 3.26Å; L532-L564 WeakPolarHBondContact O-CD1 3.46Å; L532-L564 PolarHBondContact O-N 3.19Å; L535-L564 HydrophobicContact CB-CD1 3.85Å; L561-L564 HydrophobicContact CB-CB 4.13Å; L561-L564 HydrophobicContact CB-CD2 4.48Å; L561-L564 HydrophobicContact CD1-CD2 4.33Å; L561-L564 VanDerWaalsContact O-CB 3.32Å; L561-L564 WeakPolarHBondContact O-CB 3.28Å; L561-L564 PolarHBondContact O-N 2.92Å; S562-L564 VanDerWaalsContact C-N 3.35Å; L564-L567 HydrophobicContact CD2-CB 4.05Å; L564-L567 HydrophobicContact CD2-CD1 4.28Å; L564-L567 HydrophobicContact CD2-CD2 4.44Å; L564-L567 HydrophobicContact CD2-CG 4.49Å; L564-L585 HydrophobicContact CB-CD2 4.25Å; L564-L585 HydrophobicContact CD2-CD1 4.28Å; L564-L585 HydrophobicContact CD2-CD2 4.06Å; L564-E587 CarbonylContact O-C 3.32Å; L564-L588 HydrophobicContact CD2-CD1 4.34Å; L564-L588 HydrophobicContact CG-CD1 4.21Å; L564-L588 WeakPolarHBondContact O-CA 3.31Å; L564-L588 WeakPolarHBondContact O-CD1 3.29Å; L564-L588 PolarHBondContact O-N 2.8Å
565	H	98.3	Very high	97.1	Very high	27 Å²	27	31.8 Å²	31.8	13%	0.125	17%	0.171	C	C	.	.			trans	-102.6	-33.9	-177.4	-63.1	162.1	0	0	0	112.9	E533 H563 E587 K589 I590	E533-H565 WeakPolarHBondContact O-CA 3.45Å; E533-H565 PolarHBondContact O-N 2.95Å; H563-H565 PolarHBondContact O-CD2 3.18Å; H563-H565 PolarHBondContact O-N 3Å; H563-H565 PolarHBondContact O-NE2 3.08Å; H563-H565 VanDerWaalsContact O-NE2 3.09Å; H565-E587 IonicContact CD2-OE2 2.73Å; H565-E587 IonicContact CE1-OE2 3.74Å; H565-E587 IonicContact NE2-OE2 3.63Å; H565-E587 PolarHBondContact NE2-OE2 3.11Å; H565-K589 HydrophobicContact CB-CD 3.96Å; H565-K589 HydrophobicContact CB-CG 4.14Å; H565-K589 VanDerWaalsContact CD2-CE 3.47Å; H565-K589 WeakPolarHBondContact CD2-CE 3.3Å; H565-K589 PolarHBondContact CD2-NZ 2.97Å; H565-K589 VanDerWaalsContact CD2-NZ 3.28Å; H565-K589 PolarHBondContact CE1-NZ 3.25Å; H565-K589 PolarHBondContact ND1-NZ 3.03Å; H565-K589 PolarHBondContact NE2-NZ 2.86Å; H565-K589 WeakPolarHBondContact O-CA 3.31Å; H565-K589 WeakPolarHBondContact O-CB 3.44Å; H565-K589 PolarHBondContact O-N 3.07Å; H565-I590 PolarHBondContact O-N 3.34Å
566	I	98.8	Very high	97.1	Very high	55 Å²	55	33.6 Å²	33.6	28%	0.282	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.4	-178.6	-54	-176.8	0	0	0	109.3	E533 I534 L535 I590	E533-I566 PolarHBondContact O-N 2.77Å; I534-I566 WeakPolarHBondContact CA-O 3.17Å; I534-I566 HydrophobicContact CB-CB 4.48Å; I534-I566 HydrophobicContact CD1-CD1 4.07Å; I534-I566 HydrophobicContact CG1-CB 4.16Å; I534-I566 HydrophobicContact CG1-CD1 4.21Å; I534-I566 HydrophobicContact CG1-CG1 4.34Å; I534-I566 HydrophobicContact CG2-CB 4.22Å; I534-I566 HydrophobicContact CG2-CG2 4.39Å; L535-I566 PolarHBondContact N-O 3.05Å; I566-I590 WeakPolarHBondContact CA-O 3.42Å; I566-I590 HydrophobicContact CD1-CD1 4.18Å; I566-I590 HydrophobicContact CG1-CB 4.23Å; I566-I590 HydrophobicContact CG1-CD1 4.25Å; I566-I590 HydrophobicContact CG1-CG1 4.41Å; I566-I590 HydrophobicContact CG2-CB 4.26Å; I566-I590 HydrophobicContact CG2-CG2 4.37Å
567	L	98.8	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.1	175.6	175.2	59.8	0	0	0	109.7	L535 L558 L564 L569 F582 L585 L588 I590 I591 D592	L535-L567 HydrophobicContact CB-CD1 4.27Å; L535-L567 HydrophobicContact CD2-CD1 4.03Å; L535-L567 HydrophobicContact CG-CD1 4.21Å; L558-L567 HydrophobicContact CD1-CD2 3.71Å; L558-L567 HydrophobicContact CD2-CD1 4.03Å; L558-L567 HydrophobicContact CD2-CD2 4.41Å; L564-L567 HydrophobicContact CD2-CB 4.05Å; L564-L567 HydrophobicContact CD2-CD1 4.28Å; L564-L567 HydrophobicContact CD2-CD2 4.44Å; L564-L567 HydrophobicContact CD2-CG 4.49Å; L567-L569 HydrophobicContact CD1-CD1 4.03Å; L567-L569 HydrophobicContact CD1-CD2 4.5Å; L567-L569 HydrophobicContact CD1-CG 3.98Å; L567-L569 HydrophobicContact CD2-CD1 3.83Å; L567-L569 HydrophobicContact CG-CD1 3.86Å; L567-L569 HydrophobicContact CG-CG 4.11Å; L567-F582 HydrophobicContact CD2-CD1 4.26Å; L567-F582 HydrophobicContact CD2-CE1 3.94Å; L567-L585 HydrophobicContact CD2-CD1 4.02Å; L567-L588 HydrophobicContact CB-CD1 3.88Å; L567-I590 PolarHBondContact N-O 2.8Å; L567-I591 HydrophobicContact CD2-CD1 4.32Å; L567-I591 HydrophobicContact CD2-CG1 4.39Å; L567-I591 WeakPolarHBondContact O-CA 3.18Å; L567-D592 PolarHBondContact O-N 2.81Å
568	N	98.8	Very high	97.2	Very high	24 Å²	24	30.8 Å²	30.8	13%	0.128	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.2	177.4	-167.8	-7.3	0	0	0	111.5	L535 D536 L537 Q538 E570	L535-N568 PolarHBondContact O-N 2.85Å; D536-N568 VanDerWaalsContact OD1-CB 3.28Å; D536-N568 WeakPolarHBondContact OD1-CB 3.5Å; D536-N568 PolarHBondContact OD1-ND2 3.44Å; D536-N568 VanDerWaalsContact OD1-ND2 3.16Å; L537-N568 CarbonylContact C-O 3.17Å; L537-N568 WeakPolarHBondContact CA-O 3.35Å; L537-N568 PolarHBondContact N-O 2.91Å; Q538-N568 PolarHBondContact N-O 3.01Å; Q538-N568 PolarHBondContact NE2-ND2 3.12Å; Q538-N568 VanDerWaalsContact NE2-ND2 3.13Å; Q538-N568 PolarHBondContact OE1-ND2 2.93Å; N568-E570 WeakPolarHBondContact OD1-CB 3.3Å; N568-E570 PolarHBondContact OD1-N 3.24Å; N568-E570 VanDerWaalsContact OD1-N 3.14Å
569	L	98.6	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.			trans	-127.8	18.2	-178	-71.5	166.5	0	0	0	111.4	L537 W546 L567 N572 F574 F582 D592 L593 N596	L537-L569 HydrophobicContact CB-CD2 3.78Å; L537-L569 HydrophobicContact CD1-CD2 4.11Å; W546-L569 HydrophobicContact CH2-CD1 3.51Å; W546-L569 HydrophobicContact CZ2-CD1 4.3Å; W546-L569 HydrophobicContact CZ3-CD1 4.19Å; L567-L569 HydrophobicContact CD1-CD1 4.03Å; L567-L569 HydrophobicContact CD1-CD2 4.5Å; L567-L569 HydrophobicContact CD1-CG 3.98Å; L567-L569 HydrophobicContact CD2-CD1 3.83Å; L567-L569 HydrophobicContact CG-CD1 3.86Å; L567-L569 HydrophobicContact CG-CG 4.11Å; L569-N572 PolarHBondContact O-ND2 3.26Å; L569-N572 VanDerWaalsContact O-ND2 3.12Å; L569-F574 HydrophobicContact CB-CE2 4.13Å; L569-F574 HydrophobicContact CD2-CE2 4.07Å; L569-F574 HydrophobicContact CD2-CZ 4.38Å; L569-F582 HydrophobicContact CD1-CE1 4.47Å; L569-D592 CarbonylContact C-O 3.49Å; L569-D592 WeakPolarHBondContact CA-O 3.22Å; L569-D592 WeakPolarHBondContact CB-O 3.5Å; L569-D592 PolarHBondContact N-O 3.18Å; L569-L593 HydrophobicContact CB-CD2 3.78Å; L569-L593 HydrophobicContact CD1-CD2 3.98Å; L569-N596 PolarHBondContact O-ND2 2.93Å
570	E	98.2	Very high	97.1	Very high	41 Å²	41	31.9 Å²	31.9	19%	0.192	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	143.8	179.3	-171.9	-172.4	-165	0	0	112	Q538 H539 N568 N572 G594 L595	Q538-E570 CarbonylContact C-O 3.55Å; Q538-E570 WeakPolarHBondContact CA-O 3.39Å; Q538-E570 HydrophobicContact CB-CB 3.85Å; Q538-E570 WeakPolarHBondContact CB-O 3.42Å; H539-E570 PolarHBondContact N-O 2.92Å; N568-E570 WeakPolarHBondContact OD1-CB 3.3Å; N568-E570 PolarHBondContact OD1-N 3.24Å; N568-E570 VanDerWaalsContact OD1-N 3.14Å; E570-N572 VanDerWaalsContact C-N 3.34Å; E570-N572 PolarHBondContact O-N 2.9Å; E570-N572 PolarHBondContact O-ND2 3.18Å; E570-G594 CarbonylContact C-O 3.12Å; E570-G594 VanDerWaalsContact CA-O 3.23Å; E570-G594 WeakPolarHBondContact CA-O 3.13Å; E570-G594 WeakPolarHBondContact CG-O 3.39Å; E570-L595 HydrophobicContact CG-CB 4.16Å; E570-L595 HydrophobicContact CG-CD1 4.24Å; E570-L595 VanDerWaalsContact OE1-CD1 3.3Å; E570-L595 WeakPolarHBondContact OE1-CD1 3.32Å
571	S	98.2	Very high	97.3	Very high	26 Å²	26	30.5 Å²	30.5	18%	0.182	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.3	172.6	-58.7	0	0	0	0	115.5	H539 G594 L595	H539-S571 WeakPolarHBondContact CA-O 3.32Å; H539-S571 VanDerWaalsContact CE1-CB 3.47Å; H539-S571 WeakPolarHBondContact CE1-CB 3.11Å; H539-S571 PolarHBondContact CE1-OG 2.83Å; H539-S571 VanDerWaalsContact CE1-OG 3.29Å; H539-S571 WeakPolarHBondContact ND1-CB 3.21Å; S571-G594 PolarHBondContact N-O 3.32Å; S571-L595 WeakPolarHBondContact CA-O 3.21Å; S571-L595 VanDerWaalsContact OG-CB 3.28Å; S571-L595 WeakPolarHBondContact OG-CB 3.25Å; S571-L595 WeakPolarHBondContact OG-CD2 3.31Å
572	N	98.2	Very high	97.3	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.032	17%	0.166	C	C	.	.	S	Bend	trans	-95.9	-7.6	173.8	-92.2	-80.5	0	0	0	114.1	L537 N540 L542 A543 L569 E570 F574 N596	L537-N572 PolarHBondContact O-ND2 2.54Å; N540-N572 WeakPolarHBondContact CA-OD1 3.5Å; N540-N572 VanDerWaalsContact CB-OD1 3.29Å; N540-N572 WeakPolarHBondContact CB-OD1 3.31Å; N540-N572 PolarHBondContact N-OD1 2.84Å; N540-N572 WeakPolarHBondContact O-CA 3.22Å; N540-N572 PolarHBondContact O-OD1 2.95Å; L542-N572 WeakPolarHBondContact CB-OD1 3.19Å; L542-N572 VanDerWaalsContact CG-OD1 3.25Å; L542-N572 WeakPolarHBondContact CG-OD1 3.31Å; L542-N572 PolarHBondContact N-OD1 3.48Å; A543-N572 PolarHBondContact N-O 2.96Å; L569-N572 PolarHBondContact O-ND2 3.26Å; L569-N572 VanDerWaalsContact O-ND2 3.12Å; E570-N572 VanDerWaalsContact C-N 3.34Å; E570-N572 PolarHBondContact O-N 2.9Å; E570-N572 PolarHBondContact O-ND2 3.18Å; N572-F574 VanDerWaalsContact C-N 3.35Å; N572-F574 HydrophobicContact CB-CD2 3.44Å; N572-F574 VanDerWaalsContact CB-CD2 3.44Å; N572-F574 HydrophobicContact CB-CE2 3.24Å; N572-F574 HydrophobicContact CB-CG 4.28Å; N572-F574 HydrophobicContact CB-CZ 3.95Å; N572-N596 WeakPolarHBondContact CA-OD1 3.45Å; N572-N596 PolarHBondContact N-OD1 3.48Å
573	G	97.6	Very high	97.4	Very high	24 Å²	24	33 Å²	33	25%	0.247	17%	0.172	C	C	.	.			trans	77.8	11.6	-177.5	0	0	0	0	0	114.9	A543 D575 N596 N597	A543-G573 WeakPolarHBondContact CB-O 3.44Å; G573-D575 PolarHBondContact O-N 2.79Å; G573-N596 PolarHBondContact N-OD1 3Å; G573-N597 WeakPolarHBondContact CA-ND2 3.33Å; G573-N597 PolarHBondContact O-ND2 3.16Å
574	F	98.4	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-56.4	126.8	-177.9	-67.5	-67.1	0	0	0	111.8	L542 W546 L569 N572 N596 N597 L598	L542-F574 HydrophobicContact CB-CE1 3.93Å; L542-F574 HydrophobicContact CB-CZ 3.6Å; W546-F574 HydrophobicContact CB-CD1 3.95Å; W546-F574 HydrophobicContact CB-CE1 3.86Å; W546-F574 AromaticContact CD2-CD1 3.91Å; W546-F574 HydrophobicContact CD2-CD1 3.91Å; W546-F574 AromaticContact CD2-CE1 3.38Å; W546-F574 HydrophobicContact CD2-CE1 3.38Å; W546-F574 AromaticContact CD2-CZ 3.87Å; W546-F574 HydrophobicContact CD2-CZ 3.87Å; W546-F574 AromaticContact CE3-CD1 3.48Å; W546-F574 HydrophobicContact CE3-CD1 3.48Å; W546-F574 VanDerWaalsContact CE3-CD1 3.48Å; W546-F574 HydrophobicContact CE3-CD2 4.33Å; W546-F574 AromaticContact CE3-CE1 3.33Å; W546-F574 HydrophobicContact CE3-CE1 3.33Å; W546-F574 HydrophobicContact CE3-CE2 4.18Å; W546-F574 HydrophobicContact CE3-CG 4.01Å; W546-F574 AromaticContact CE3-CZ 3.7Å; W546-F574 HydrophobicContact CE3-CZ 3.7Å; W546-F574 HydrophobicContact CG-CD1 4.14Å; W546-F574 AromaticContact CG-CE1 3.62Å; W546-F574 HydrophobicContact CG-CE1 3.62Å; W546-F574 HydrophobicContact CG-CZ 4.47Å; W546-F574 HydrophobicContact CH2-CZ 4.39Å; W546-F574 HydrophobicContact CZ3-CD1 4.29Å; W546-F574 HydrophobicContact CZ3-CD2 4.36Å; W546-F574 HydrophobicContact CZ3-CE1 4.08Å; W546-F574 HydrophobicContact CZ3-CE2 4.13Å; W546-F574 HydrophobicContact CZ3-CG 4.45Å; W546-F574 AromaticContact CZ3-CZ 3.98Å; W546-F574 HydrophobicContact CZ3-CZ 3.98Å; L569-F574 HydrophobicContact CB-CE2 4.13Å; L569-F574 HydrophobicContact CD2-CE2 4.07Å; L569-F574 HydrophobicContact CD2-CZ 4.38Å; N572-F574 VanDerWaalsContact C-N 3.35Å; N572-F574 HydrophobicContact CB-CD2 3.44Å; N572-F574 VanDerWaalsContact CB-CD2 3.44Å; N572-F574 HydrophobicContact CB-CE2 3.24Å; N572-F574 HydrophobicContact CB-CG 4.28Å; N572-F574 HydrophobicContact CB-CZ 3.95Å; F574-N596 HydrophobicContact CB-CB 4.23Å; F574-N596 PolarHBondContact N-OD1 2.7Å; F574-N597 CarbonylContact O-C 3.42Å; F574-N597 VanDerWaalsContact O-C 3.24Å; F574-N597 VanDerWaalsContact O-CA 3.3Å; F574-N597 WeakPolarHBondContact O-CA 3.46Å; F574-N597 PolarHBondContact O-N 3.32Å; F574-L598 HydrophobicContact CB-CD2 3.91Å; F574-L598 HydrophobicContact CB-CG 4.47Å; F574-L598 WeakPolarHBondContact O-CD2 3.3Å; F574-L598 WeakPolarHBondContact O-CG 3.33Å; F574-L598 PolarHBondContact O-N 3.48Å; F574-L598 VanDerWaalsContact O-N 3.11Å
575	D	97.2	Very high	97.2	Very high	61 Å²	61	32.1 Å²	32.1	33%	0.326	17%	0.17	S	C	.	.	S	Bend	trans	-112.6	-15	170.8	49.9	-2.9	0	0	0	112.6	K547 G573 N597	K547-D575 WeakPolarHBondContact CE-OD1 3.25Å; K547-D575 IonicContact NZ-OD1 2.7Å; K547-D575 PolarHBondContact NZ-OD1 3.16Å; K547-D575 IonicContact NZ-OD2 2.65Å; K547-D575 PolarHBondContact NZ-OD2 3.37Å; G573-D575 PolarHBondContact O-N 2.79Å; D575-N597 HydrophobicContact CB-CB 3.92Å
576	E	96.7	Very high	96.9	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.243	18%	0.183	C	C	.	.			trans	-126.8	151.1	174.2	-66.1	170.5	-129.1	0	0	110.5	K547 H548	K547-E576 VanDerWaalsContact CA-OE2 3.31Å; K547-E576 WeakPolarHBondContact CA-OE2 3.19Å; K547-E576 WeakPolarHBondContact CG-OE1 3.45Å; K547-E576 IonicContact NZ-OE1 3.63Å; K547-E576 PolarHBondContact NZ-OE1 2.8Å; H548-E576 IonicContact CE1-OE1 3.84Å; H548-E576 IonicContact CE1-OE2 3.36Å; H548-E576 IonicContact CG-OE2 3.53Å; H548-E576 PolarHBondContact N-OE2 3.24Å; H548-E576 IonicContact ND1-OE1 3.11Å; H548-E576 IonicContact ND1-OE2 3.8Å; H548-E576 PolarHBondContact ND1-OE2 3.07Å
577	I	97.7	Very high	96.8	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	19%	0.185	C	C	.	.			trans	-129.9	129.6	168.5	-60.8	-172.2	0	0	0	108.6	W546 V581 F582 L593 L598 L601 P602 V605	W546-I577 HydrophobicContact CE3-CG1 4.21Å; W546-I577 HydrophobicContact CE3-CG2 4.45Å; W546-I577 HydrophobicContact CZ3-CD1 4.48Å; W546-I577 HydrophobicContact CZ3-CG1 4.2Å; W546-I577 HydrophobicContact CZ3-CG2 4.29Å; I577-V581 HydrophobicContact CG2-CG1 3.62Å; I577-F582 HydrophobicContact CD1-CE2 4.42Å; I577-F582 HydrophobicContact CG2-CE2 3.94Å; I577-F582 HydrophobicContact CG2-CZ 4.23Å; I577-L593 HydrophobicContact CD1-CD1 3.96Å; I577-L593 HydrophobicContact CD1-CD2 4.34Å; I577-L598 HydrophobicContact CD1-CD1 3.87Å; I577-L598 HydrophobicContact CD1-CD2 3.94Å; I577-L598 HydrophobicContact CG1-CD2 3.66Å; I577-L601 HydrophobicContact CD1-CD2 3.87Å; I577-L601 HydrophobicContact CG1-CD2 4.17Å; I577-P602 WeakPolarHBondContact O-CG 3.3Å; I577-V605 HydrophobicContact CG2-CG2 3.94Å
578	P	96.7	Very high	96.8	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.071	19%	0.185	C	C	.	.			trans	-71.5	137.1	174.7	-15.4	30	0	0	0	111.7	W546 P554 Y556 E580 V581	W546-P578 HydrophobicContact CB-CG 4.14Å; W546-P578 HydrophobicContact CG-CG 4.1Å; P554-P578 HydrophobicContact CB-CB 4.03Å; P554-P578 HydrophobicContact CB-CG 3.5Å; P554-P578 VanDerWaalsContact CB-CG 3.5Å; P554-P578 HydrophobicContact CG-CB 4.25Å; P554-P578 HydrophobicContact CG-CG 4.05Å; Y556-P578 HydrophobicContact CE1-CB 3.87Å; P578-E580 VanDerWaalsContact C-N 3.29Å; P578-E580 PolarHBondContact O-N 2.83Å; P578-E580 VanDerWaalsContact O-N 3.16Å; P578-V581 HydrophobicContact CB-CB 4.25Å; P578-V581 HydrophobicContact CG-CB 4.37Å; P578-V581 WeakPolarHBondContact O-CB 3.38Å; P578-V581 WeakPolarHBondContact O-CG1 3.46Å; P578-V581 PolarHBondContact O-N 3.16Å; P578-V581 VanDerWaalsContact O-N 3.08Å
579	V	95.1	Very high	96.8	Very high	72 Å²	72	37.1 Å²	37.1	44%	0.436	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.2	-171.9	66.2	0	0	0	0	114.5	P602 E603	V579-P602 HydrophobicContact CB-CB 4.18Å; V579-P602 HydrophobicContact CB-CG 4.17Å; V579-P602 HydrophobicContact CG2-CB 4.31Å; V579-E603 WeakPolarHBondContact CG2-O 3.28Å
580	E	94.9	Very high	96.8	Very high	98 Å²	98	40.3 Å²	40.3	46%	0.458	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.7	-179.6	-57.1	-142.2	135.8	0	0	114.4	Y556 P578 F582 K583	Y556-E580 HydrophobicContact CE1-CB 4.06Å; P578-E580 VanDerWaalsContact C-N 3.29Å; P578-E580 PolarHBondContact O-N 2.83Å; P578-E580 VanDerWaalsContact O-N 3.16Å; E580-F582 VanDerWaalsContact C-N 3.27Å; E580-F582 PolarHBondContact O-N 2.97Å; E580-K583 HydrophobicContact CB-CB 4.37Å; E580-K583 HydrophobicContact CB-CD 3.98Å; E580-K583 HydrophobicContact CG-CD 4.18Å; E580-K583 WeakPolarHBondContact O-CB 3.39Å; E580-K583 PolarHBondContact O-N 2.83Å; E580-K583 IonicContact OE1-NZ 3.86Å; E580-K583 PolarHBondContact OE1-NZ 2.85Å; E580-K583 IonicContact OE2-NZ 3.42Å; E580-K583 PolarHBondContact OE2-NZ 3.47Å
581	V	96.1	Very high	96.8	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21	-167	83.9	0	0	0	0	114.8	W546 Y556 L558 I577 P578	W546-V581 HydrophobicContact CH2-CG1 4.05Å; W546-V581 HydrophobicContact CH2-CG2 4.32Å; W546-V581 HydrophobicContact CZ2-CB 4.48Å; W546-V581 HydrophobicContact CZ2-CG1 4.12Å; W546-V581 HydrophobicContact CZ2-CG2 3.56Å; W546-V581 HydrophobicContact CZ3-CG1 4.44Å; Y556-V581 HydrophobicContact CD1-CB 4.35Å; Y556-V581 HydrophobicContact CD1-CG2 4.25Å; Y556-V581 HydrophobicContact CE1-CB 4.47Å; L558-V581 HydrophobicContact CD1-CG2 4.43Å; I577-V581 HydrophobicContact CG2-CG1 3.62Å; P578-V581 HydrophobicContact CB-CB 4.25Å; P578-V581 HydrophobicContact CG-CB 4.37Å; P578-V581 WeakPolarHBondContact O-CB 3.38Å; P578-V581 WeakPolarHBondContact O-CG1 3.46Å; P578-V581 PolarHBondContact O-N 3.16Å; P578-V581 VanDerWaalsContact O-N 3.08Å
582	F	96.6	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	9.9	174.8	-51.7	-48.3	0	0	0	113.4	W546 L558 L567 L569 I577 E580 D584 L585 I591 L593 V605 F606 Q609	W546-F582 AromaticContact CH2-CE1 3.87Å; W546-F582 HydrophobicContact CH2-CE1 3.87Å; W546-F582 AromaticContact CH2-CZ 3.96Å; W546-F582 HydrophobicContact CH2-CZ 3.96Å; W546-F582 HydrophobicContact CZ3-CZ 4.26Å; L558-F582 HydrophobicContact CD1-CD1 3.98Å; L558-F582 HydrophobicContact CD1-CE1 3.91Å; L567-F582 HydrophobicContact CD2-CD1 4.26Å; L567-F582 HydrophobicContact CD2-CE1 3.94Å; L569-F582 HydrophobicContact CD1-CE1 4.47Å; I577-F582 HydrophobicContact CD1-CE2 4.42Å; I577-F582 HydrophobicContact CG2-CE2 3.94Å; I577-F582 HydrophobicContact CG2-CZ 4.23Å; E580-F582 VanDerWaalsContact C-N 3.27Å; E580-F582 PolarHBondContact O-N 2.97Å; F582-D584 VanDerWaalsContact C-N 3.32Å; F582-D584 PolarHBondContact O-N 2.89Å; F582-L585 HydrophobicContact CB-CD1 4.15Å; F582-L585 HydrophobicContact CD1-CD1 3.76Å; F582-L585 HydrophobicContact CG-CD1 4.41Å; F582-L585 PolarHBondContact O-N 3.19Å; F582-L585 VanDerWaalsContact O-N 3.09Å; F582-I591 HydrophobicContact CD1-CD1 4.33Å; F582-I591 HydrophobicContact CD2-CD1 4.44Å; F582-I591 HydrophobicContact CE1-CD1 3.84Å; F582-I591 HydrophobicContact CE2-CD1 3.99Å; F582-I591 HydrophobicContact CZ-CD1 3.67Å; F582-L593 HydrophobicContact CE2-CD1 4.48Å; F582-L593 HydrophobicContact CZ-CD1 4.2Å; F582-V605 HydrophobicContact CD2-CG2 4.23Å; F582-V605 HydrophobicContact CE2-CG2 4.44Å; F582-F606 HydrophobicContact CD2-CD1 4.15Å; F582-F606 AromaticContact CD2-CE1 3.89Å; F582-F606 HydrophobicContact CD2-CE1 3.89Å; F582-F606 AromaticContact CE2-CE1 3.83Å; F582-F606 HydrophobicContact CE2-CE1 3.83Å; F582-Q609 PolarHBondContact O-NE2 2.9Å
583	K	95.1	Very high	96.8	Very high	93 Å²	93	38.3 Å²	38.3	40%	0.404	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.3	-169.4	179.2	169.1	170.9	175.2	0	114.4	E580 N608	E580-K583 HydrophobicContact CB-CB 4.37Å; E580-K583 HydrophobicContact CB-CD 3.98Å; E580-K583 HydrophobicContact CG-CD 4.18Å; E580-K583 WeakPolarHBondContact O-CB 3.39Å; E580-K583 PolarHBondContact O-N 2.83Å; E580-K583 IonicContact OE1-NZ 3.86Å; E580-K583 PolarHBondContact OE1-NZ 2.85Å; E580-K583 IonicContact OE2-NZ 3.42Å; E580-K583 PolarHBondContact OE2-NZ 3.47Å; K583-N608 PolarHBondContact O-ND2 2.92Å
584	D	94.9	Very high	96.8	Very high	64 Å²	64	37.1 Å²	37.1	34%	0.342	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.5	-177.3	-58.5	-23.6	0	0	0	113.3	K559 G560 F582 S586	K559-D584 WeakPolarHBondContact CA-OD2 3.47Å; G560-D584 PolarHBondContact N-OD2 2.78Å; F582-D584 VanDerWaalsContact C-N 3.32Å; F582-D584 PolarHBondContact O-N 2.89Å; D584-S586 VanDerWaalsContact C-N 3.26Å; D584-S586 PolarHBondContact O-N 2.92Å
585	L	96.1	Very high	96.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.204	C	C	.	.			trans	-83.7	59.1	-168.3	-49.1	-176.1	0	0	0	112.7	L558 L561 L564 L567 F582 L588 Q609	L558-L585 HydrophobicContact CB-CD1 4.45Å; L558-L585 HydrophobicContact CD1-CD1 4.2Å; L561-L585 HydrophobicContact CB-CD2 3.8Å; L561-L585 VanDerWaalsContact O-CD2 3.3Å; L561-L585 WeakPolarHBondContact O-CD2 3.41Å; L564-L585 HydrophobicContact CB-CD2 4.25Å; L564-L585 HydrophobicContact CD2-CD1 4.28Å; L564-L585 HydrophobicContact CD2-CD2 4.06Å; L567-L585 HydrophobicContact CD2-CD1 4.02Å; F582-L585 HydrophobicContact CB-CD1 4.15Å; F582-L585 HydrophobicContact CD1-CD1 3.76Å; F582-L585 HydrophobicContact CG-CD1 4.41Å; F582-L585 PolarHBondContact O-N 3.19Å; F582-L585 VanDerWaalsContact O-N 3.09Å; L585-L588 HydrophobicContact CB-CB 4.17Å; L585-L588 HydrophobicContact CB-CD2 4.29Å; L585-L588 HydrophobicContact CD1-CD2 4.18Å; L585-L588 WeakPolarHBondContact O-CB 3.42Å; L585-L588 PolarHBondContact O-N 2.99Å; L585-Q609 PolarHBondContact O-NE2 3.25Å
586	S	92.7	Very high	96.8	Very high	55 Å²	55	37.2 Å²	37.2	39%	0.385	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-29.8	-173.1	65.9	0	0	0	0	114.7	D584 L588 S611	D584-S586 VanDerWaalsContact C-N 3.26Å; D584-S586 PolarHBondContact O-N 2.92Å; S586-L588 VanDerWaalsContact C-N 3.31Å; S586-S611 VanDerWaalsContact O-CB 3.29Å; S586-S611 WeakPolarHBondContact O-CB 3.33Å; S586-S611 PolarHBondContact O-OG 2.96Å
587	E	97.1	Very high	96.9	Very high	73 Å²	73	38.5 Å²	38.5	34%	0.341	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.3	176.2	-63.5	-154.5	163.5	0	0	114	H563 L564 H565 K589	H563-E587 IonicContact CD2-OE2 3.79Å; L564-E587 CarbonylContact O-C 3.32Å; H565-E587 IonicContact CD2-OE2 2.73Å; H565-E587 IonicContact CE1-OE2 3.74Å; H565-E587 IonicContact NE2-OE2 3.63Å; H565-E587 PolarHBondContact NE2-OE2 3.11Å; E587-K589 WeakPolarHBondContact O-CG 3.46Å; E587-K589 PolarHBondContact O-N 3.44Å
588	L	98	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.			trans	-61.4	123.7	-172.1	-164.8	68.8	0	0	0	112.7	L564 L567 L585 S586 I591 Q609 S611 L612	L564-L588 HydrophobicContact CD2-CD1 4.34Å; L564-L588 HydrophobicContact CG-CD1 4.21Å; L564-L588 WeakPolarHBondContact O-CA 3.31Å; L564-L588 WeakPolarHBondContact O-CD1 3.29Å; L564-L588 PolarHBondContact O-N 2.8Å; L567-L588 HydrophobicContact CB-CD1 3.88Å; L585-L588 HydrophobicContact CB-CB 4.17Å; L585-L588 HydrophobicContact CB-CD2 4.29Å; L585-L588 HydrophobicContact CD1-CD2 4.18Å; L585-L588 WeakPolarHBondContact O-CB 3.42Å; L585-L588 PolarHBondContact O-N 2.99Å; S586-L588 VanDerWaalsContact C-N 3.31Å; L588-I591 HydrophobicContact CD2-CB 4.07Å; L588-I591 HydrophobicContact CD2-CD1 4.2Å; L588-I591 HydrophobicContact CD2-CG1 4.41Å; L588-Q609 HydrophobicContact CD2-CG 4.25Å; L588-S611 CarbonylContact O-C 3.19Å; L588-S611 VanDerWaalsContact O-C 3.29Å; L588-S611 WeakPolarHBondContact O-CB 3.18Å; L588-L612 HydrophobicContact CG-CD1 4.38Å; L588-L612 VanDerWaalsContact O-CA 3.26Å; L588-L612 WeakPolarHBondContact O-CA 3.31Å; L588-L612 PolarHBondContact O-N 3.02Å; L588-L612 VanDerWaalsContact O-N 3.16Å
589	K	97.9	Very high	96.9	Very high	84 Å²	84	40.1 Å²	40.1	37%	0.365	21%	0.206	S	C	.	.			trans	-108	-38.2	-173.2	-49.8	178.9	-174.8	151.4	0	111.1	H565 E587 K613 S614	H565-K589 HydrophobicContact CB-CD 3.96Å; H565-K589 HydrophobicContact CB-CG 4.14Å; H565-K589 VanDerWaalsContact CD2-CE 3.47Å; H565-K589 WeakPolarHBondContact CD2-CE 3.3Å; H565-K589 PolarHBondContact CD2-NZ 2.97Å; H565-K589 VanDerWaalsContact CD2-NZ 3.28Å; H565-K589 PolarHBondContact CE1-NZ 3.25Å; H565-K589 PolarHBondContact ND1-NZ 3.03Å; H565-K589 PolarHBondContact NE2-NZ 2.86Å; H565-K589 WeakPolarHBondContact O-CA 3.31Å; H565-K589 WeakPolarHBondContact O-CB 3.44Å; H565-K589 PolarHBondContact O-N 3.07Å; E587-K589 WeakPolarHBondContact O-CG 3.46Å; E587-K589 PolarHBondContact O-N 3.44Å; K589-K613 WeakPolarHBondContact O-CA 3.3Å; K589-K613 PolarHBondContact O-N 2.81Å; K589-S614 PolarHBondContact O-N 3.21Å
590	I	98.6	Very high	96.8	Very high	67 Å²	67	41.6 Å²	41.6	34%	0.344	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127	-179.6	-55.9	-176.7	0	0	0	108.7	H565 I566 L567 S614	H565-I590 PolarHBondContact O-N 3.34Å; I566-I590 WeakPolarHBondContact CA-O 3.42Å; I566-I590 HydrophobicContact CD1-CD1 4.18Å; I566-I590 HydrophobicContact CG1-CB 4.23Å; I566-I590 HydrophobicContact CG1-CD1 4.25Å; I566-I590 HydrophobicContact CG1-CG1 4.41Å; I566-I590 HydrophobicContact CG2-CB 4.26Å; I566-I590 HydrophobicContact CG2-CG2 4.37Å; L567-I590 PolarHBondContact N-O 2.8Å; I590-S614 WeakPolarHBondContact CA-O 3.32Å
591	I	98.2	Very high	96.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.9	166.7	-167.3	174.6	0	0	0	109.6	L567 F582 L588 L593 F606 L612 S614 L615 N616	L567-I591 HydrophobicContact CD2-CD1 4.32Å; L567-I591 HydrophobicContact CD2-CG1 4.39Å; L567-I591 WeakPolarHBondContact O-CA 3.18Å; F582-I591 HydrophobicContact CD1-CD1 4.33Å; F582-I591 HydrophobicContact CD2-CD1 4.44Å; F582-I591 HydrophobicContact CE1-CD1 3.84Å; F582-I591 HydrophobicContact CE2-CD1 3.99Å; F582-I591 HydrophobicContact CZ-CD1 3.67Å; L588-I591 HydrophobicContact CD2-CB 4.07Å; L588-I591 HydrophobicContact CD2-CD1 4.2Å; L588-I591 HydrophobicContact CD2-CG1 4.41Å; I591-L593 HydrophobicContact CD1-CD1 3.79Å; I591-L593 HydrophobicContact CD1-CG 4.33Å; I591-L593 HydrophobicContact CG1-CD1 4.18Å; I591-L593 HydrophobicContact CG1-CG 4.27Å; I591-F606 HydrophobicContact CD1-CE1 4.45Å; I591-L612 HydrophobicContact CB-CD1 4.45Å; I591-L612 HydrophobicContact CG2-CD1 4.01Å; I591-L612 HydrophobicContact CG2-CD2 4.34Å; I591-S614 PolarHBondContact N-O 3.21Å; I591-S614 VanDerWaalsContact N-O 3.1Å; I591-L615 HydrophobicContact CG2-CB 4.49Å; I591-L615 HydrophobicContact CG2-CD1 3.49Å; I591-L615 VanDerWaalsContact CG2-CD1 3.49Å; I591-N616 PolarHBondContact O-N 3.3Å
592	D	98.5	Very high	96.9	Very high	30 Å²	30	39.6 Å²	39.6	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.8	172.8	-154.3	-41.2	0	0	0	110.8	L567 L569 G594 N616	L567-D592 PolarHBondContact O-N 2.81Å; L569-D592 CarbonylContact C-O 3.49Å; L569-D592 WeakPolarHBondContact CA-O 3.22Å; L569-D592 WeakPolarHBondContact CB-O 3.5Å; L569-D592 PolarHBondContact N-O 3.18Å; D592-G594 PolarHBondContact OD1-N 2.97Å; D592-N616 HydrophobicContact CB-CB 4.31Å; D592-N616 PolarHBondContact OD1-ND2 3.06Å; D592-N616 WeakPolarHBondContact OD2-CB 3.17Å; D592-N616 PolarHBondContact OD2-ND2 3.27Å
593	L	98.2	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.			trans	-127	20.3	177.8	-76.1	163.2	0	0	0	110.3	L569 I577 F582 I591 N596 L598 N616 L617 N620	L569-L593 HydrophobicContact CB-CD2 3.78Å; L569-L593 HydrophobicContact CD1-CD2 3.98Å; I577-L593 HydrophobicContact CD1-CD1 3.96Å; I577-L593 HydrophobicContact CD1-CD2 4.34Å; F582-L593 HydrophobicContact CE2-CD1 4.48Å; F582-L593 HydrophobicContact CZ-CD1 4.2Å; I591-L593 HydrophobicContact CD1-CD1 3.79Å; I591-L593 HydrophobicContact CD1-CG 4.33Å; I591-L593 HydrophobicContact CG1-CD1 4.18Å; I591-L593 HydrophobicContact CG1-CG 4.27Å; L593-N596 PolarHBondContact O-ND2 2.87Å; L593-L598 HydrophobicContact CB-CD1 4.16Å; L593-N616 PolarHBondContact N-O 3.19Å; L593-L617 HydrophobicContact CB-CD2 3.55Å; L593-L617 HydrophobicContact CD1-CD2 4.18Å; L593-N620 PolarHBondContact O-ND2 3.02Å
594	G	97.5	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	160.6	179.2	0	0	0	0	0	114.1	E570 S571 D592 N596 Q618	E570-G594 CarbonylContact C-O 3.12Å; E570-G594 VanDerWaalsContact CA-O 3.23Å; E570-G594 WeakPolarHBondContact CA-O 3.13Å; E570-G594 WeakPolarHBondContact CG-O 3.39Å; S571-G594 PolarHBondContact N-O 3.32Å; D592-G594 PolarHBondContact OD1-N 2.97Å; G594-N596 PolarHBondContact O-N 3.49Å; G594-N596 PolarHBondContact O-ND2 3Å; G594-N596 VanDerWaalsContact O-ND2 3.15Å; G594-Q618 CarbonylContact C-O 3.56Å; G594-Q618 VanDerWaalsContact CA-O 3.28Å; G594-Q618 WeakPolarHBondContact CA-O 3.22Å
595	L	98.1	Very high	96.7	Very high	59 Å²	59	40.4 Å²	40.4	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	28.1	174.5	-70.8	64.7	0	0	0	113.5	E570 S571 Q618 K619	E570-L595 HydrophobicContact CG-CB 4.16Å; E570-L595 HydrophobicContact CG-CD1 4.24Å; E570-L595 VanDerWaalsContact OE1-CD1 3.3Å; E570-L595 WeakPolarHBondContact OE1-CD1 3.32Å; S571-L595 WeakPolarHBondContact CA-O 3.21Å; S571-L595 VanDerWaalsContact OG-CB 3.28Å; S571-L595 WeakPolarHBondContact OG-CB 3.25Å; S571-L595 WeakPolarHBondContact OG-CD2 3.31Å; L595-Q618 HydrophobicContact CD1-CG 3.78Å; L595-Q618 PolarHBondContact N-O 3.41Å; L595-K619 HydrophobicContact CD1-CB 4.13Å; L595-K619 HydrophobicContact CD1-CD 3.78Å; L595-K619 HydrophobicContact CD1-CG 4.38Å; L595-K619 HydrophobicContact CG-CB 4.29Å; L595-K619 HydrophobicContact CG-CD 4.02Å
596	N	98.6	Very high	96.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.22	C	C	.	.	S	Bend	trans	-99.5	-176.4	170.8	-75	-65.1	0	0	0	109.7	L569 N572 G573 F574 L593 G594 L598 N620	L569-N596 PolarHBondContact O-ND2 2.93Å; N572-N596 WeakPolarHBondContact CA-OD1 3.45Å; N572-N596 PolarHBondContact N-OD1 3.48Å; G573-N596 PolarHBondContact N-OD1 3Å; F574-N596 HydrophobicContact CB-CB 4.23Å; F574-N596 PolarHBondContact N-OD1 2.7Å; L593-N596 PolarHBondContact O-ND2 2.87Å; G594-N596 PolarHBondContact O-N 3.49Å; G594-N596 PolarHBondContact O-ND2 3Å; G594-N596 VanDerWaalsContact O-ND2 3.15Å; N596-L598 HydrophobicContact CB-CD1 4.33Å; N596-L598 HydrophobicContact CB-CG 4.08Å; N596-N620 WeakPolarHBondContact CA-OD1 3.32Å; N596-N620 WeakPolarHBondContact CB-OD1 3.48Å; N596-N620 WeakPolarHBondContact O-CA 3.49Å; N596-N620 PolarHBondContact O-OD1 3.42Å; N596-N620 VanDerWaalsContact O-OD1 3.12Å
597	N	98.2	Very high	96.8	Very high	80 Å²	80	41.4 Å²	41.4	43%	0.428	22%	0.222	S	C	.	.			trans	-104.7	19.4	-178.2	-62.1	-55	0	0	0	112	G573 F574 D575 L621	G573-N597 WeakPolarHBondContact CA-ND2 3.33Å; G573-N597 PolarHBondContact O-ND2 3.16Å; F574-N597 CarbonylContact O-C 3.42Å; F574-N597 VanDerWaalsContact O-C 3.24Å; F574-N597 VanDerWaalsContact O-CA 3.3Å; F574-N597 WeakPolarHBondContact O-CA 3.46Å; F574-N597 PolarHBondContact O-N 3.32Å; D575-N597 HydrophobicContact CB-CB 3.92Å; N597-L621 HydrophobicContact CB-CD1 4.2Å
598	L	98.2	Very high	96.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.225	C	C	.	.			trans	-66.3	134.9	-171	-59.9	170.3	0	0	0	110.8	F574 I577 L593 N596 L601 L617 N620 L621 I622	F574-L598 HydrophobicContact CB-CD2 3.91Å; F574-L598 HydrophobicContact CB-CG 4.47Å; F574-L598 WeakPolarHBondContact O-CD2 3.3Å; F574-L598 WeakPolarHBondContact O-CG 3.33Å; F574-L598 PolarHBondContact O-N 3.48Å; F574-L598 VanDerWaalsContact O-N 3.11Å; I577-L598 HydrophobicContact CD1-CD1 3.87Å; I577-L598 HydrophobicContact CD1-CD2 3.94Å; I577-L598 HydrophobicContact CG1-CD2 3.66Å; L593-L598 HydrophobicContact CB-CD1 4.16Å; N596-L598 HydrophobicContact CB-CD1 4.33Å; N596-L598 HydrophobicContact CB-CG 4.08Å; L598-L601 HydrophobicContact CB-CD2 4.37Å; L598-L601 HydrophobicContact CD1-CD2 4.45Å; L598-L601 HydrophobicContact CD2-CD2 4.25Å; L598-L617 HydrophobicContact CD1-CD2 3.9Å; L598-N620 HydrophobicContact CB-CB 4.35Å; L598-N620 VanDerWaalsContact CB-OD1 3.26Å; L598-N620 WeakPolarHBondContact CB-OD1 3.45Å; L598-N620 WeakPolarHBondContact CG-OD1 3.43Å; L598-N620 PolarHBondContact N-OD1 2.97Å; L598-N620 VanDerWaalsContact N-OD1 3.08Å; L598-L621 CarbonylContact O-C 3.31Å; L598-L621 VanDerWaalsContact O-CA 3.25Å; L598-L621 WeakPolarHBondContact O-CA 3.28Å; L598-L621 PolarHBondContact O-N 2.85Å; L598-I622 WeakPolarHBondContact O-CG1 3.41Å; L598-I622 PolarHBondContact O-N 3.23Å; L598-I622 VanDerWaalsContact O-N 3.14Å
599	N	96	Very high	96.5	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.294	23%	0.226	S	C	.	.			trans	-122.7	-81.3	170.1	-177.3	6.3	0	0	0	110.8	L621 T623	N599-L621 HydrophobicContact CB-CB 4.23Å; N599-L621 WeakPolarHBondContact CB-O 3.18Å; N599-L621 PolarHBondContact OD1-O 2.9Å; N599-T623 PolarHBondContact OD1-N 3.12Å; N599-T623 VanDerWaalsContact OD1-N 3.09Å; N599-T623 PolarHBondContact OD1-OG1 3.06Å; N599-T623 VanDerWaalsContact OD1-OG1 3.11Å
600	T	93.8	Very high	96.3	Very high	104 Å²	104	42.5 Å²	42.5	64%	0.638	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-83.8	123.3	177.6	50.9	0	0	0	0	110.8
601	L	96.3	Very high	96.1	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.105	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-102.9	145.8	173.4	-61	-176.9	0	0	0	110.5	I577 L598 F606 V629 F630	I577-L601 HydrophobicContact CD1-CD2 3.87Å; I577-L601 HydrophobicContact CG1-CD2 4.17Å; L598-L601 HydrophobicContact CB-CD2 4.37Å; L598-L601 HydrophobicContact CD1-CD2 4.45Å; L598-L601 HydrophobicContact CD2-CD2 4.25Å; L601-F606 HydrophobicContact CD1-CE2 4.08Å; L601-F606 HydrophobicContact CD1-CZ 4.43Å; L601-V629 HydrophobicContact CB-CG1 3.74Å; L601-V629 HydrophobicContact CB-CG2 4.48Å; L601-V629 HydrophobicContact CD1-CG1 4.08Å; L601-F630 HydrophobicContact CD1-CE1 4.2Å; L601-F630 HydrophobicContact CD1-CZ 3.81Å
602	P	95.9	Very high	96.1	Very high	41 Å²	41	41.2 Å²	41.2	27%	0.266	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-69.5	153.7	178.6	24.6	-28.2	0	0	0	112.6	I577 V579 V605	I577-P602 WeakPolarHBondContact O-CG 3.3Å; V579-P602 HydrophobicContact CB-CB 4.18Å; V579-P602 HydrophobicContact CB-CG 4.17Å; V579-P602 HydrophobicContact CG2-CB 4.31Å; P602-V605 HydrophobicContact CG-CB 4.04Å; P602-V605 HydrophobicContact CG-CG2 4.08Å; P602-V605 WeakPolarHBondContact O-CB 3.39Å; P602-V605 WeakPolarHBondContact O-CG1 3.46Å
603	E	94.3	Very high	96	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	150.3	174.8	-44.8	-164.2	174.9	0	0	110.4	V579 V605 K628	V579-E603 WeakPolarHBondContact CG2-O 3.28Å; E603-V605 PolarHBondContact O-N 3.43Å; E603-K628 HydrophobicContact CB-CG 4.48Å; E603-K628 VanDerWaalsContact CD-CD 3.49Å; E603-K628 HydrophobicContact CG-CD 3.92Å; E603-K628 HydrophobicContact CG-CG 3.97Å; E603-K628 WeakPolarHBondContact OE1-CD 3.41Å; E603-K628 WeakPolarHBondContact OE1-CE 3.32Å; E603-K628 IonicContact OE1-NZ 2.69Å; E603-K628 PolarHBondContact OE1-NZ 3.25Å
604	S	92.5	Very high	96	Very high	61 Å²	61	44.9 Å²	44.9	43%	0.427	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	2.1	-178.8	-72.7	0	0	0	0	117.9	F606 D607 K628	S604-F606 PolarHBondContact O-N 2.63Å; S604-D607 WeakPolarHBondContact CB-OD2 3.44Å; S604-D607 WeakPolarHBondContact O-CB 3.12Å; S604-D607 PolarHBondContact O-N 3.17Å; S604-D607 PolarHBondContact OG-OD2 2.9Å; S604-K628 PolarHBondContact N-O 3.42Å
605	V	96.3	Very high	96.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.7	-177.7	74.7	0	0	0	0	115.2	I577 F582 P602 E603 V629	I577-V605 HydrophobicContact CG2-CG2 3.94Å; F582-V605 HydrophobicContact CD2-CG2 4.23Å; F582-V605 HydrophobicContact CE2-CG2 4.44Å; P602-V605 HydrophobicContact CG-CB 4.04Å; P602-V605 HydrophobicContact CG-CG2 4.08Å; P602-V605 WeakPolarHBondContact O-CB 3.39Å; P602-V605 WeakPolarHBondContact O-CG1 3.46Å; E603-V605 PolarHBondContact O-N 3.43Å; V605-V629 HydrophobicContact CG1-CG1 4.07Å
606	F	96.1	Very high	96.1	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	10.8	177.3	-62.4	-56.1	0	0	0	114.1	F582 I591 L601 S604 N608 Q609 V629 F630 P632 A633	F582-F606 HydrophobicContact CD2-CD1 4.15Å; F582-F606 AromaticContact CD2-CE1 3.89Å; F582-F606 HydrophobicContact CD2-CE1 3.89Å; F582-F606 AromaticContact CE2-CE1 3.83Å; F582-F606 HydrophobicContact CE2-CE1 3.83Å; I591-F606 HydrophobicContact CD1-CE1 4.45Å; L601-F606 HydrophobicContact CD1-CE2 4.08Å; L601-F606 HydrophobicContact CD1-CZ 4.43Å; S604-F606 PolarHBondContact O-N 2.63Å; F606-N608 PolarHBondContact O-N 3Å; F606-Q609 PolarHBondContact O-N 3.12Å; F606-Q609 VanDerWaalsContact O-N 3.12Å; F606-V629 HydrophobicContact CD2-CG1 4.17Å; F606-V629 HydrophobicContact CE2-CG1 4.2Å; F606-F630 HydrophobicContact CE2-CD1 4.4Å; F606-F630 HydrophobicContact CE2-CE1 4.21Å; F606-P632 WeakPolarHBondContact O-CB 3.1Å; F606-A633 HydrophobicContact CB-CB 3.96Å; F606-A633 HydrophobicContact CD2-CB 4.18Å; F606-A633 HydrophobicContact CG-CB 4.13Å
607	D	93.9	Very high	96.1	Very high	76 Å²	76	42.7 Å²	42.7	41%	0.406	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.7	-173.1	-84.1	1.6	0	0	0	113.2	S604 P632	S604-D607 WeakPolarHBondContact CB-OD2 3.44Å; S604-D607 WeakPolarHBondContact O-CB 3.12Å; S604-D607 PolarHBondContact O-N 3.17Å; S604-D607 PolarHBondContact OG-OD2 2.9Å; D607-P632 WeakPolarHBondContact OD1-CG 3.25Å
608	N	94.1	Very high	96	Very high	78 Å²	78	40.1 Å²	40.1	42%	0.417	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.8	-177.8	-69.9	-3.8	0	0	0	114	K583 F606 V610	K583-N608 PolarHBondContact O-ND2 2.92Å; F606-N608 PolarHBondContact O-N 3Å; N608-V610 PolarHBondContact O-N 3.28Å
609	Q	95.6	Very high	96	Very high	5 Å²	5	45 Å²	45	2%	0.023	25%	0.247	C	C	.	.			trans	-81.3	50.6	-176.9	-82.1	55.5	66.4	0	0	112.3	F582 L585 L588 F606 S611 L612	F582-Q609 PolarHBondContact O-NE2 2.9Å; L585-Q609 PolarHBondContact O-NE2 3.25Å; L588-Q609 HydrophobicContact CD2-CG 4.25Å; F606-Q609 PolarHBondContact O-N 3.12Å; F606-Q609 VanDerWaalsContact O-N 3.12Å; Q609-S611 PolarHBondContact O-N 3.38Å; Q609-L612 HydrophobicContact CB-CB 4.36Å; Q609-L612 WeakPolarHBondContact O-CB 2.96Å; Q609-L612 PolarHBondContact O-N 3.22Å
610	V	92.8	Very high	96.1	Very high	97 Å²	97	42.7 Å²	42.7	59%	0.588	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.3	-175.9	-62.5	0	0	0	0	113.9	N608	N608-V610 PolarHBondContact O-N 3.28Å
611	S	96.1	Very high	96.3	Very high	39 Å²	39	41.9 Å²	41.9	27%	0.273	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10	-177.3	-61.2	0	0	0	0	114.2	S586 L588 Q609 K613	S586-S611 VanDerWaalsContact O-CB 3.29Å; S586-S611 WeakPolarHBondContact O-CB 3.33Å; S586-S611 PolarHBondContact O-OG 2.96Å; L588-S611 CarbonylContact O-C 3.19Å; L588-S611 VanDerWaalsContact O-C 3.29Å; L588-S611 WeakPolarHBondContact O-CB 3.18Å; Q609-S611 PolarHBondContact O-N 3.38Å; S611-K613 VanDerWaalsContact O-CE 3.3Å; S611-K613 WeakPolarHBondContact O-CE 3.41Å
612	L	97.4	Very high	96.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.221	C	C	.	.			trans	-59.8	140.3	-164.4	-158	68.8	0	0	0	113.4	L588 I591 Q609 L615 A633 L637	L588-L612 HydrophobicContact CG-CD1 4.38Å; L588-L612 VanDerWaalsContact O-CA 3.26Å; L588-L612 WeakPolarHBondContact O-CA 3.31Å; L588-L612 PolarHBondContact O-N 3.02Å; L588-L612 VanDerWaalsContact O-N 3.16Å; I591-L612 HydrophobicContact CB-CD1 4.45Å; I591-L612 HydrophobicContact CG2-CD1 4.01Å; I591-L612 HydrophobicContact CG2-CD2 4.34Å; Q609-L612 HydrophobicContact CB-CB 4.36Å; Q609-L612 WeakPolarHBondContact O-CB 2.96Å; Q609-L612 PolarHBondContact O-N 3.22Å; L612-L615 HydrophobicContact CD2-CB 4.29Å; L612-A633 HydrophobicContact CD2-CB 4.04Å; L612-L637 HydrophobicContact CB-CD2 4.33Å; L612-L637 HydrophobicContact CD2-CD2 4.02Å; L612-L637 HydrophobicContact CG-CD2 3.92Å
613	K	97.1	Very high	96.5	Very high	79 Å²	79	41 Å²	41	34%	0.343	22%	0.22	S	C	.	.			trans	-129	-31.2	-178.4	-58.6	-63.4	158.1	-131.1	0	113.4	K589 S611 N636 S638 N639	K589-K613 WeakPolarHBondContact O-CA 3.3Å; K589-K613 PolarHBondContact O-N 2.81Å; S611-K613 VanDerWaalsContact O-CE 3.3Å; S611-K613 WeakPolarHBondContact O-CE 3.41Å; K613-N636 PolarHBondContact NZ-O 3.09Å; K613-S638 PolarHBondContact O-N 3.35Å; K613-N639 PolarHBondContact O-N 2.71Å
614	S	98.3	Very high	96.5	Very high	27 Å²	27	36.6 Å²	36.6	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.3	177.9	-160	0	0	0	0	110.1	K589 I590 I591	K589-S614 PolarHBondContact O-N 3.21Å; I590-S614 WeakPolarHBondContact CA-O 3.32Å; I591-S614 PolarHBondContact N-O 3.21Å; I591-S614 VanDerWaalsContact N-O 3.1Å
615	L	98.3	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.6	174.9	169.6	58.5	0	0	0	107.7	I591 L612 L617 F630 A633 F634 L637 L640 D641	I591-L615 HydrophobicContact CG2-CB 4.49Å; I591-L615 HydrophobicContact CG2-CD1 3.49Å; I591-L615 VanDerWaalsContact CG2-CD1 3.49Å; L612-L615 HydrophobicContact CD2-CB 4.29Å; L615-L617 HydrophobicContact CD1-CD1 3.9Å; L615-L617 HydrophobicContact CD1-CG 4Å; L615-L617 HydrophobicContact CD2-CD1 4.26Å; L615-L617 HydrophobicContact CG-CD1 4.17Å; L615-L617 HydrophobicContact CG-CG 4.49Å; L615-F630 HydrophobicContact CD2-CD1 4.39Å; L615-A633 HydrophobicContact CD2-CB 4.35Å; L615-F634 HydrophobicContact CD2-CD1 4.26Å; L615-F634 HydrophobicContact CD2-CE1 3.77Å; L615-L637 HydrophobicContact CB-CD1 4.29Å; L615-L637 HydrophobicContact CB-CD2 4.27Å; L615-L640 HydrophobicContact CB-CD1 4Å; L615-L640 HydrophobicContact CD2-CD1 3.97Å; L615-L640 HydrophobicContact CG-CD1 3.97Å; L615-D641 PolarHBondContact O-N 2.78Å
616	N	98.3	Very high	96.7	Very high	16 Å²	16	36.1 Å²	36.1	9%	0.086	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.1	173.8	-171.2	6.2	0	0	0	110.7	I591 D592 L593 Q618 D641	I591-N616 PolarHBondContact O-N 3.3Å; D592-N616 HydrophobicContact CB-CB 4.31Å; D592-N616 PolarHBondContact OD1-ND2 3.06Å; D592-N616 WeakPolarHBondContact OD2-CB 3.17Å; D592-N616 PolarHBondContact OD2-ND2 3.27Å; L593-N616 PolarHBondContact N-O 3.19Å; N616-Q618 PolarHBondContact ND2-NE2 3.36Å; N616-Q618 VanDerWaalsContact ND2-NE2 3.16Å; N616-Q618 VanDerWaalsContact OD1-CB 3.31Å; N616-Q618 WeakPolarHBondContact OD1-CB 3.35Å; N616-Q618 VanDerWaalsContact OD1-CG 3.24Å; N616-Q618 WeakPolarHBondContact OD1-CG 3.33Å; N616-Q618 PolarHBondContact OD1-N 3.39Å; N616-D641 CarbonylContact C-O 3.41Å; N616-D641 WeakPolarHBondContact CA-O 3.29Å; N616-D641 HydrophobicContact CB-CB 4.48Å
617	L	98.1	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.			trans	-133.1	22.6	175.1	-73.1	162.7	0	0	0	110.5	L593 L598 L615 N620 I622 F630 D641 M642 N645	L593-L617 HydrophobicContact CB-CD2 3.55Å; L593-L617 HydrophobicContact CD1-CD2 4.18Å; L598-L617 HydrophobicContact CD1-CD2 3.9Å; L615-L617 HydrophobicContact CD1-CD1 3.9Å; L615-L617 HydrophobicContact CD1-CG 4Å; L615-L617 HydrophobicContact CD2-CD1 4.26Å; L615-L617 HydrophobicContact CG-CD1 4.17Å; L615-L617 HydrophobicContact CG-CG 4.49Å; L617-N620 PolarHBondContact O-ND2 2.77Å; L617-I622 HydrophobicContact CB-CD1 3.9Å; L617-I622 HydrophobicContact CD1-CD1 3.99Å; L617-I622 HydrophobicContact CD2-CD1 4.22Å; L617-I622 HydrophobicContact CG-CD1 4.27Å; L617-F630 HydrophobicContact CD1-CE1 3.72Å; L617-F630 HydrophobicContact CD1-CZ 4.22Å; L617-D641 PolarHBondContact N-O 2.92Å; L617-M642 HydrophobicContact CB-CE 4.46Å; L617-M642 HydrophobicContact CB-CG 4.26Å; L617-M642 HydrophobicContact CD1-CE 4.04Å; L617-N645 PolarHBondContact O-ND2 3.19Å
618	Q	97.5	Very high	96.6	Very high	26 Å²	26	43.5 Å²	43.5	12%	0.121	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	146	179.7	71.4	179.3	-37.5	0	0	112.2	G594 L595 N616 N620 R643	G594-Q618 CarbonylContact C-O 3.56Å; G594-Q618 VanDerWaalsContact CA-O 3.28Å; G594-Q618 WeakPolarHBondContact CA-O 3.22Å; L595-Q618 HydrophobicContact CD1-CG 3.78Å; L595-Q618 PolarHBondContact N-O 3.41Å; N616-Q618 PolarHBondContact ND2-NE2 3.36Å; N616-Q618 VanDerWaalsContact ND2-NE2 3.16Å; N616-Q618 VanDerWaalsContact OD1-CB 3.31Å; N616-Q618 WeakPolarHBondContact OD1-CB 3.35Å; N616-Q618 VanDerWaalsContact OD1-CG 3.24Å; N616-Q618 WeakPolarHBondContact OD1-CG 3.33Å; N616-Q618 PolarHBondContact OD1-N 3.39Å; Q618-N620 VanDerWaalsContact C-N 3.29Å; Q618-N620 PolarHBondContact O-N 2.82Å; Q618-N620 PolarHBondContact O-ND2 3Å; Q618-R643 CarbonylContact C-O 2.98Å; Q618-R643 VanDerWaalsContact CA-O 3.31Å; Q618-R643 WeakPolarHBondContact CA-O 3.38Å
619	K	97.8	Very high	96.6	Very high	105 Å²	105	40 Å²	40	46%	0.457	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	42.7	175.3	-53.8	170.3	-169	160.7	0	113.8	L595 R643 F644	L595-K619 HydrophobicContact CD1-CB 4.13Å; L595-K619 HydrophobicContact CD1-CD 3.78Å; L595-K619 HydrophobicContact CD1-CG 4.38Å; L595-K619 HydrophobicContact CG-CB 4.29Å; L595-K619 HydrophobicContact CG-CD 4.02Å; K619-R643 PolarHBondContact N-O 3.27Å; K619-F644 HydrophobicContact CG-CB 3.8Å; K619-F644 HydrophobicContact CG-CD2 4.08Å; K619-F644 HydrophobicContact CG-CG 4.26Å
620	N	98.6	Very high	96.7	Very high	5 Å²	5	40 Å²	40	3%	0.027	20%	0.202	C	C	.	.	S	Bend	trans	-98.8	-170.6	166.3	-84.3	-88.2	0	0	0	110.1	L593 N596 L598 L617 Q618 I622 N645 P646	L593-N620 PolarHBondContact O-ND2 3.02Å; N596-N620 WeakPolarHBondContact CA-OD1 3.32Å; N596-N620 WeakPolarHBondContact CB-OD1 3.48Å; N596-N620 WeakPolarHBondContact O-CA 3.49Å; N596-N620 PolarHBondContact O-OD1 3.42Å; N596-N620 VanDerWaalsContact O-OD1 3.12Å; L598-N620 HydrophobicContact CB-CB 4.35Å; L598-N620 VanDerWaalsContact CB-OD1 3.26Å; L598-N620 WeakPolarHBondContact CB-OD1 3.45Å; L598-N620 WeakPolarHBondContact CG-OD1 3.43Å; L598-N620 PolarHBondContact N-OD1 2.97Å; L598-N620 VanDerWaalsContact N-OD1 3.08Å; L617-N620 PolarHBondContact O-ND2 2.77Å; Q618-N620 VanDerWaalsContact C-N 3.29Å; Q618-N620 PolarHBondContact O-N 2.82Å; Q618-N620 PolarHBondContact O-ND2 3Å; N620-I622 HydrophobicContact CB-CD1 4.18Å; N620-I622 HydrophobicContact CB-CG1 3.98Å; N620-N645 VanDerWaalsContact CA-OD1 3.29Å; N620-N645 WeakPolarHBondContact CA-OD1 3.44Å; N620-N645 WeakPolarHBondContact CB-OD1 3.42Å; N620-N645 PolarHBondContact N-OD1 3.37Å; N620-N645 PolarHBondContact O-OD1 3.32Å; N620-N645 VanDerWaalsContact O-OD1 3.14Å; N620-P646 VanDerWaalsContact O-CD 3.31Å; N620-P646 WeakPolarHBondContact O-CD 3.38Å
621	L	98.1	Very high	96.8	Very high	88 Å²	88	36.5 Å²	36.5	46%	0.461	19%	0.186	S	C	.	.			trans	-105.3	22.4	178.8	-58.6	-180	0	0	0	112.6	N597 L598 N599 T623	N597-L621 HydrophobicContact CB-CD1 4.2Å; L598-L621 CarbonylContact O-C 3.31Å; L598-L621 VanDerWaalsContact O-CA 3.25Å; L598-L621 WeakPolarHBondContact O-CA 3.28Å; L598-L621 PolarHBondContact O-N 2.85Å; N599-L621 HydrophobicContact CB-CB 4.23Å; N599-L621 WeakPolarHBondContact CB-O 3.18Å; N599-L621 PolarHBondContact OD1-O 2.9Å; L621-T623 PolarHBondContact O-N 3.21Å
622	I	98.1	Very high	96.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.185	C	C	.	.			trans	-67	120.5	-172.8	-58.2	172.5	0	0	0	111.1	L598 L617 N620 S624 V625 M642 N645 P646	L598-I622 WeakPolarHBondContact O-CG1 3.41Å; L598-I622 PolarHBondContact O-N 3.23Å; L598-I622 VanDerWaalsContact O-N 3.14Å; L617-I622 HydrophobicContact CB-CD1 3.9Å; L617-I622 HydrophobicContact CD1-CD1 3.99Å; L617-I622 HydrophobicContact CD2-CD1 4.22Å; L617-I622 HydrophobicContact CG-CD1 4.27Å; N620-I622 HydrophobicContact CB-CD1 4.18Å; N620-I622 HydrophobicContact CB-CG1 3.98Å; I622-S624 WeakPolarHBondContact CG2-O 3.18Å; I622-V625 HydrophobicContact CG2-CG2 4.32Å; I622-M642 HydrophobicContact CD1-CE 3.87Å; I622-M642 HydrophobicContact CG2-CE 4.41Å; I622-N645 HydrophobicContact CB-CB 4.31Å; I622-N645 WeakPolarHBondContact CB-OD1 3.36Å; I622-N645 WeakPolarHBondContact CG1-OD1 3.41Å; I622-N645 PolarHBondContact N-OD1 2.93Å; I622-N645 VanDerWaalsContact N-OD1 3.15Å; I622-P646 CarbonylContact O-C 3.56Å
623	T	96.8	Very high	96.6	Very high	41 Å²	41	36.5 Å²	36.5	25%	0.252	19%	0.185	S	C	.	.			trans	-95.1	-50.7	173.4	61.4	0	0	0	0	112.7	N599 L621 D648	N599-T623 PolarHBondContact OD1-N 3.12Å; N599-T623 VanDerWaalsContact OD1-N 3.09Å; N599-T623 PolarHBondContact OD1-OG1 3.06Å; N599-T623 VanDerWaalsContact OD1-OG1 3.11Å; L621-T623 PolarHBondContact O-N 3.21Å; T623-D648 PolarHBondContact O-N 2.89Å
624	S	95.8	Very high	96.5	Very high	17 Å²	17	33 Å²	33	12%	0.119	17%	0.17	C	C	.	.			trans	-99.9	150.1	179.9	74.7	0	0	0	0	113.3	I622 E626	I622-S624 WeakPolarHBondContact CG2-O 3.18Å; S624-E626 PolarHBondContact OG-OE1 2.94Å
625	V	96.7	Very high	96.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.198	C	C	.	.			trans	-129.3	74	175.1	-173.4	0	0	0	0	108.4	I622 F630 F634 M642 F647 S653 I654 W656 F657	I622-V625 HydrophobicContact CG2-CG2 4.32Å; V625-F630 HydrophobicContact CB-CD2 4.31Å; V625-F630 HydrophobicContact CB-CE2 4.38Å; V625-F630 HydrophobicContact CG1-CB 4.47Å; V625-F630 HydrophobicContact CG1-CD2 3.6Å; V625-F630 HydrophobicContact CG1-CE2 3.97Å; V625-F630 HydrophobicContact CG1-CG 4.04Å; V625-F634 HydrophobicContact CG1-CE2 4.03Å; V625-F634 HydrophobicContact CG1-CZ 4.03Å; V625-M642 HydrophobicContact CG2-CE 4.08Å; V625-F647 HydrophobicContact CG2-CD1 4Å; V625-F647 HydrophobicContact CG2-CE1 3.69Å; V625-S653 PolarHBondContact N-O 3.32Å; V625-I654 HydrophobicContact CB-CD1 4.17Å; V625-I654 HydrophobicContact CG2-CD1 3.9Å; V625-W656 HydrophobicContact CG1-CZ3 4.47Å; V625-F657 HydrophobicContact CB-CB 3.8Å; V625-F657 HydrophobicContact CB-CD1 3.9Å; V625-F657 HydrophobicContact CB-CG 3.91Å; V625-F657 HydrophobicContact CG1-CB 3.78Å; V625-F657 HydrophobicContact CG1-CD1 3.97Å; V625-F657 HydrophobicContact CG1-CD2 3.89Å; V625-F657 HydrophobicContact CG1-CE1 4.46Å; V625-F657 HydrophobicContact CG1-CE2 4.39Å; V625-F657 HydrophobicContact CG1-CG 3.64Å; V625-F657 HydrophobicContact CG2-CD1 3.87Å; V625-F657 HydrophobicContact CG2-CE1 4.18Å; V625-F657 HydrophobicContact CG2-CG 4.36Å
626	E	94.4	Very high	95.8	Very high	54 Å²	54	45.6 Å²	45.6	25%	0.252	22%	0.22	S	C	.	.			trans	-85.1	142.9	-171.6	-70.2	170.9	-107.8	0	0	113.6	S624 K628 V629 F630	S624-E626 PolarHBondContact OG-OE1 2.94Å; E626-K628 HydrophobicContact CB-CD 4.3Å; E626-K628 HydrophobicContact CB-CG 4.08Å; E626-K628 PolarHBondContact O-N 3.33Å; E626-K628 VanDerWaalsContact O-N 3.15Å; E626-K628 VanDerWaalsContact OE2-CD 3.31Å; E626-K628 WeakPolarHBondContact OE2-CD 3.42Å; E626-K628 WeakPolarHBondContact OE2-CE 3.39Å; E626-K628 IonicContact OE2-NZ 2.72Å; E626-K628 PolarHBondContact OE2-NZ 3.06Å; E626-V629 PolarHBondContact O-N 3.29Å; E626-V629 VanDerWaalsContact O-N 3.11Å; E626-F630 PolarHBondContact O-N 3.45Å
627	K	94.3	Very high	95.7	Very high	142 Å²	142	45.6 Å²	45.6	62%	0.617	22%	0.22	S	C	*	.	H	α-helix	trans	-55.7	-33.1	179.3	-174.3	-175	172.9	-162.3	0	113.5	V629 G631 W656	K627-V629 PolarHBondContact O-N 2.76Å; K627-G631 VanDerWaalsContact O-CA 3.25Å; K627-G631 WeakPolarHBondContact O-CA 3.29Å; K627-G631 PolarHBondContact O-N 3.47Å; K627-W656 HydrophobicContact CB-CD2 3.73Å; K627-W656 HydrophobicContact CB-CE3 4.34Å; K627-W656 HydrophobicContact CB-CG 3.8Å; K627-W656 HydrophobicContact CB-CZ2 4.4Å; K627-W656 HydrophobicContact CG-CD2 4.23Å; K627-W656 HydrophobicContact CG-CG 4.4Å; K627-W656 HydrophobicContact CG-CZ2 4.13Å
628	K	93.6	Very high	95.5	Very high	90 Å²	90	48.6 Å²	48.6	39%	0.391	24%	0.241	S	C	.	.	H	α-helix	trans	-69.4	-16.1	-178	73.8	-161.8	-164.4	-178.4	0	114.4	E603 S604 E626	E603-K628 HydrophobicContact CB-CG 4.48Å; E603-K628 VanDerWaalsContact CD-CD 3.49Å; E603-K628 HydrophobicContact CG-CD 3.92Å; E603-K628 HydrophobicContact CG-CG 3.97Å; E603-K628 WeakPolarHBondContact OE1-CD 3.41Å; E603-K628 WeakPolarHBondContact OE1-CE 3.32Å; E603-K628 IonicContact OE1-NZ 2.69Å; E603-K628 PolarHBondContact OE1-NZ 3.25Å; S604-K628 PolarHBondContact N-O 3.42Å; E626-K628 HydrophobicContact CB-CD 4.3Å; E626-K628 HydrophobicContact CB-CG 4.08Å; E626-K628 PolarHBondContact O-N 3.33Å; E626-K628 VanDerWaalsContact O-N 3.15Å; E626-K628 VanDerWaalsContact OE2-CD 3.31Å; E626-K628 WeakPolarHBondContact OE2-CD 3.42Å; E626-K628 WeakPolarHBondContact OE2-CE 3.39Å; E626-K628 IonicContact OE2-NZ 2.72Å; E626-K628 PolarHBondContact OE2-NZ 3.06Å
629	V	95.9	Very high	95.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-104.7	-55	174.3	178.5	0	0	0	0	109.4	L601 V605 F606 E626 K627	L601-V629 HydrophobicContact CB-CG1 3.74Å; L601-V629 HydrophobicContact CB-CG2 4.48Å; L601-V629 HydrophobicContact CD1-CG1 4.08Å; V605-V629 HydrophobicContact CG1-CG1 4.07Å; F606-V629 HydrophobicContact CD2-CG1 4.17Å; F606-V629 HydrophobicContact CE2-CG1 4.2Å; E626-V629 PolarHBondContact O-N 3.29Å; E626-V629 VanDerWaalsContact O-N 3.11Å; K627-V629 PolarHBondContact O-N 2.76Å
630	F	96.4	Very high	95.5	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.022	23%	0.231	C	C	.	.	H	α-helix	trans	-92.4	-13.1	-166.6	-66.9	-74.1	0	0	0	114.5	L601 F606 L615 L617 V625 E626 A633 F634 M642 W656	L601-F630 HydrophobicContact CD1-CE1 4.2Å; L601-F630 HydrophobicContact CD1-CZ 3.81Å; F606-F630 HydrophobicContact CE2-CD1 4.4Å; F606-F630 HydrophobicContact CE2-CE1 4.21Å; L615-F630 HydrophobicContact CD2-CD1 4.39Å; L617-F630 HydrophobicContact CD1-CE1 3.72Å; L617-F630 HydrophobicContact CD1-CZ 4.22Å; V625-F630 HydrophobicContact CB-CD2 4.31Å; V625-F630 HydrophobicContact CB-CE2 4.38Å; V625-F630 HydrophobicContact CG1-CB 4.47Å; V625-F630 HydrophobicContact CG1-CD2 3.6Å; V625-F630 HydrophobicContact CG1-CE2 3.97Å; V625-F630 HydrophobicContact CG1-CG 4.04Å; E626-F630 PolarHBondContact O-N 3.45Å; F630-A633 PolarHBondContact O-N 3.23Å; F630-F634 HydrophobicContact CB-CD1 3.97Å; F630-F634 HydrophobicContact CB-CD2 4.2Å; F630-F634 HydrophobicContact CB-CE1 3.79Å; F630-F634 HydrophobicContact CB-CE2 4.02Å; F630-F634 HydrophobicContact CB-CG 4.17Å; F630-F634 HydrophobicContact CB-CZ 3.82Å; F630-F634 HydrophobicContact CD1-CD1 4.28Å; F630-F634 AromaticContact CD1-CE1 3.49Å; F630-F634 HydrophobicContact CD1-CE1 3.49Å; F630-F634 VanDerWaalsContact CD1-CE1 3.49Å; F630-F634 AromaticContact CD1-CZ 3.79Å; F630-F634 HydrophobicContact CD1-CZ 3.79Å; F630-F634 HydrophobicContact CE1-CE1 4.4Å; F630-F634 AromaticContact CG-CE1 3.94Å; F630-F634 HydrophobicContact CG-CE1 3.94Å; F630-F634 AromaticContact CG-CZ 3.91Å; F630-F634 HydrophobicContact CG-CZ 3.91Å; F630-F634 VanDerWaalsContact O-CB 3.24Å; F630-F634 WeakPolarHBondContact O-CB 3.45Å; F630-F634 WeakPolarHBondContact O-CG 3.42Å; F630-F634 PolarHBondContact O-N 3.01Å; F630-M642 HydrophobicContact CE1-CE 4.21Å; F630-M642 HydrophobicContact CZ-CE 4.06Å; F630-W656 HydrophobicContact CB-CH2 4.06Å; F630-W656 HydrophobicContact CB-CZ3 3.77Å
631	G	94.6	Very high	95.4	Very high	24 Å²	24	46.2 Å²	46.2	25%	0.247	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-42.9	-178.4	0	0	0	0	0	115.7	K627	K627-G631 VanDerWaalsContact O-CA 3.25Å; K627-G631 WeakPolarHBondContact O-CA 3.29Å; K627-G631 PolarHBondContact O-N 3.47Å
632	P	94.4	Very high	95.4	Very high	38 Å²	38	42 Å²	42	25%	0.247	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-53.4	173.7	-14.5	26.6	0	0	0	111.6	F606 D607 F634 R635	F606-P632 WeakPolarHBondContact O-CB 3.1Å; D607-P632 WeakPolarHBondContact OD1-CG 3.25Å; P632-F634 VanDerWaalsContact C-N 3.35Å; P632-F634 PolarHBondContact O-N 2.89Å; P632-R635 WeakPolarHBondContact O-CB 3.29Å; P632-R635 PolarHBondContact O-N 3.14Å; P632-R635 VanDerWaalsContact O-N 3.17Å
633	A	94.9	Very high	95.3	Very high	2 Å²	2	44 Å²	44	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-46.4	-177.8	0	0	0	0	0	112.4	F606 L612 L615 F630 R635 L637	F606-A633 HydrophobicContact CB-CB 3.96Å; F606-A633 HydrophobicContact CD2-CB 4.18Å; F606-A633 HydrophobicContact CG-CB 4.13Å; L612-A633 HydrophobicContact CD2-CB 4.04Å; L615-A633 HydrophobicContact CD2-CB 4.35Å; F630-A633 PolarHBondContact O-N 3.23Å; A633-R635 PolarHBondContact O-N 2.8Å; A633-L637 WeakPolarHBondContact O-CG 3.42Å
634	F	95.6	Very high	95.3	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.1	-175.4	-74.5	19.2	0	0	0	114	L615 V625 F630 P632 L637 L640 M642 W656 F657 W660	L615-F634 HydrophobicContact CD2-CD1 4.26Å; L615-F634 HydrophobicContact CD2-CE1 3.77Å; V625-F634 HydrophobicContact CG1-CE2 4.03Å; V625-F634 HydrophobicContact CG1-CZ 4.03Å; F630-F634 HydrophobicContact CB-CD1 3.97Å; F630-F634 HydrophobicContact CB-CD2 4.2Å; F630-F634 HydrophobicContact CB-CE1 3.79Å; F630-F634 HydrophobicContact CB-CE2 4.02Å; F630-F634 HydrophobicContact CB-CG 4.17Å; F630-F634 HydrophobicContact CB-CZ 3.82Å; F630-F634 HydrophobicContact CD1-CD1 4.28Å; F630-F634 AromaticContact CD1-CE1 3.49Å; F630-F634 HydrophobicContact CD1-CE1 3.49Å; F630-F634 VanDerWaalsContact CD1-CE1 3.49Å; F630-F634 AromaticContact CD1-CZ 3.79Å; F630-F634 HydrophobicContact CD1-CZ 3.79Å; F630-F634 HydrophobicContact CE1-CE1 4.4Å; F630-F634 AromaticContact CG-CE1 3.94Å; F630-F634 HydrophobicContact CG-CE1 3.94Å; F630-F634 AromaticContact CG-CZ 3.91Å; F630-F634 HydrophobicContact CG-CZ 3.91Å; F630-F634 VanDerWaalsContact O-CB 3.24Å; F630-F634 WeakPolarHBondContact O-CB 3.45Å; F630-F634 WeakPolarHBondContact O-CG 3.42Å; F630-F634 PolarHBondContact O-N 3.01Å; P632-F634 VanDerWaalsContact C-N 3.35Å; P632-F634 PolarHBondContact O-N 2.89Å; F634-L637 HydrophobicContact CD1-CD1 3.75Å; F634-L637 HydrophobicContact CE1-CD1 4.35Å; F634-L637 HydrophobicContact CG-CD1 4.34Å; F634-L640 HydrophobicContact CE1-CD1 3.82Å; F634-L640 HydrophobicContact CE1-CD2 4.13Å; F634-L640 HydrophobicContact CE2-CD2 4.1Å; F634-L640 HydrophobicContact CZ-CD1 4.16Å; F634-L640 HydrophobicContact CZ-CD2 3.76Å; F634-M642 HydrophobicContact CZ-SD 3.97Å; F634-W656 HydrophobicContact CB-CH2 4.11Å; F634-W656 AromaticContact CD2-CH2 3.47Å; F634-W656 HydrophobicContact CD2-CH2 3.47Å; F634-W656 VanDerWaalsContact CD2-CH2 3.47Å; F634-W656 AromaticContact CD2-CZ3 3.66Å; F634-W656 HydrophobicContact CD2-CZ3 3.66Å; F634-W656 HydrophobicContact CE2-CH2 4.12Å; F634-W656 AromaticContact CE2-CZ3 3.82Å; F634-W656 HydrophobicContact CE2-CZ3 3.82Å; F634-W656 HydrophobicContact CG-CH2 4.04Å; F634-F657 AromaticContact CE2-CD2 3.67Å; F634-F657 HydrophobicContact CE2-CD2 3.67Å; F634-F657 AromaticContact CE2-CE2 3.68Å; F634-F657 HydrophobicContact CE2-CE2 3.68Å; F634-F657 HydrophobicContact CZ-CD2 4.45Å; F634-F657 HydrophobicContact CZ-CE2 4.16Å; F634-W660 HydrophobicContact CB-CD2 4.49Å; F634-W660 HydrophobicContact CB-CZ2 3.89Å; F634-W660 AromaticContact CD2-CD2 3.69Å; F634-W660 HydrophobicContact CD2-CD2 3.69Å; F634-W660 AromaticContact CD2-CE2 3.77Å; F634-W660 AromaticContact CD2-CE3 3.85Å; F634-W660 HydrophobicContact CD2-CE3 3.85Å; F634-W660 HydrophobicContact CD2-CG 4.21Å; F634-W660 HydrophobicContact CD2-CH2 4.17Å; F634-W660 HydrophobicContact CD2-CZ2 4.03Å; F634-W660 HydrophobicContact CD2-CZ3 4.08Å; F634-W660 HydrophobicContact CE2-CD2 4.4Å; F634-W660 HydrophobicContact CE2-CE3 4.12Å; F634-W660 HydrophobicContact CE2-CZ3 4.24Å; F634-W660 HydrophobicContact CG-CD2 4.48Å; F634-W660 HydrophobicContact CG-CH2 4.42Å; F634-W660 HydrophobicContact CG-CZ2 4.08Å; F634-W660 PolarHBondContact O-NE1 2.78Å
635	R	90.9	Very high	95.4	Very high	203 Å²	203	46.4 Å²	46.4	77%	0.766	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.4	-174.4	-173.6	176.4	-177.8	172.9	0.4	113.5	P632 A633	P632-R635 WeakPolarHBondContact O-CB 3.29Å; P632-R635 PolarHBondContact O-N 3.14Å; P632-R635 VanDerWaalsContact O-N 3.17Å; A633-R635 PolarHBondContact O-N 2.8Å
636	N	91.4	Very high	95.5	Very high	88 Å²	88	47.9 Å²	47.9	47%	0.471	24%	0.235	S	C	.	.	S	Bend	trans	-134	19.5	-168.5	-76.3	-20.3	0	0	0	113.7	K613	K613-N636 PolarHBondContact NZ-O 3.09Å
637	L	94.9	Very high	95.6	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	22%	0.223	C	C	.	.			trans	-65.3	141.1	-179	-67.6	-179.5	0	0	0	112.7	L612 L615 A633 F634 L640 A666	L612-L637 HydrophobicContact CB-CD2 4.33Å; L612-L637 HydrophobicContact CD2-CD2 4.02Å; L612-L637 HydrophobicContact CG-CD2 3.92Å; L615-L637 HydrophobicContact CB-CD1 4.29Å; L615-L637 HydrophobicContact CB-CD2 4.27Å; A633-L637 WeakPolarHBondContact O-CG 3.42Å; F634-L637 HydrophobicContact CD1-CD1 3.75Å; F634-L637 HydrophobicContact CE1-CD1 4.35Å; F634-L637 HydrophobicContact CG-CD1 4.34Å; L637-L640 HydrophobicContact CD1-CB 4.17Å; L637-L640 HydrophobicContact CD1-CD1 4Å; L637-A666 HydrophobicContact CB-CB 4.43Å
638	S	94.9	Very high	95.7	Very high	63 Å²	63	39.8 Å²	39.8	44%	0.441	20%	0.2	S	C	.	.	S	Bend	trans	-94.5	-38.6	167	-54.4	0	0	0	0	111.4	K613 N667	K613-S638 PolarHBondContact O-N 3.35Å; S638-N667 PolarHBondContact O-N 3.26Å
639	N	96.4	Very high	95.8	Very high	67 Å²	67	35.6 Å²	35.6	36%	0.358	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.6	176.5	-60.7	-61.4	0	0	0	110.4	K613 N667	K613-N639 PolarHBondContact O-N 2.71Å; N639-N667 WeakPolarHBondContact CA-O 3.41Å; N639-N667 WeakPolarHBondContact OD1-CB 3.47Å; N639-N667 PolarHBondContact OD1-ND2 3.14Å
640	L	97.8	Very high	95.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.4	168.7	176.6	68.3	0	0	0	109.3	L615 F634 L637 M642 F657 W660 N667 I668 Y675	L615-L640 HydrophobicContact CB-CD1 4Å; L615-L640 HydrophobicContact CD2-CD1 3.97Å; L615-L640 HydrophobicContact CG-CD1 3.97Å; F634-L640 HydrophobicContact CE1-CD1 3.82Å; F634-L640 HydrophobicContact CE1-CD2 4.13Å; F634-L640 HydrophobicContact CE2-CD2 4.1Å; F634-L640 HydrophobicContact CZ-CD1 4.16Å; F634-L640 HydrophobicContact CZ-CD2 3.76Å; L637-L640 HydrophobicContact CD1-CB 4.17Å; L637-L640 HydrophobicContact CD1-CD1 4Å; L640-M642 HydrophobicContact CD1-CG 3.85Å; L640-M642 HydrophobicContact CD1-SD 4.05Å; L640-M642 HydrophobicContact CD2-CG 4.45Å; L640-M642 HydrophobicContact CD2-SD 4.17Å; L640-M642 HydrophobicContact CG-CG 4.09Å; L640-M642 HydrophobicContact CG-SD 4.38Å; L640-F657 HydrophobicContact CD2-CE2 3.89Å; L640-F657 HydrophobicContact CD2-CZ 4.23Å; L640-W660 HydrophobicContact CB-CH2 4.48Å; L640-W660 HydrophobicContact CD2-CH2 3.78Å; L640-W660 HydrophobicContact CD2-CZ3 3.57Å; L640-N667 PolarHBondContact N-O 2.89Å; L640-N667 VanDerWaalsContact N-O 3.1Å; L640-I668 HydrophobicContact CB-CG1 4.48Å; L640-Y675 PolarHBondContact O-OH 3.29Å
641	D	97.8	Very high	95.3	Very high	18 Å²	18	40.3 Å²	40.3	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.5	169.3	-166.2	-10	0	0	0	110.5	L615 N616 L617 R643	L615-D641 PolarHBondContact O-N 2.78Å; N616-D641 CarbonylContact C-O 3.41Å; N616-D641 WeakPolarHBondContact CA-O 3.29Å; N616-D641 HydrophobicContact CB-CB 4.48Å; L617-D641 PolarHBondContact N-O 2.92Å; D641-R643 VanDerWaalsContact CG-NE 3.34Å; D641-R643 WeakPolarHBondContact OD1-CB 3.43Å; D641-R643 WeakPolarHBondContact OD1-CG 3.49Å; D641-R643 IonicContact OD1-CZ 2.72Å; D641-R643 PolarHBondContact OD1-N 2.97Å; D641-R643 IonicContact OD1-NE 3.83Å; D641-R643 PolarHBondContact OD1-NE 2.86Å; D641-R643 IonicContact OD2-CZ 3.71Å; D641-R643 VanDerWaalsContact OD2-CZ 3.23Å; D641-R643 IonicContact OD2-NE 3.47Å; D641-R643 PolarHBondContact OD2-NE 3.16Å; D641-R643 IonicContact OD2-NH2 3.92Å; D641-R643 PolarHBondContact OD2-NH2 3.01Å
642	M	97.4	Very high	95	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.			trans	-140.2	25.3	172.7	-51	-179	71.9	0	0	110	L617 I622 V625 F630 F634 L640 N645 F647 F657 Y675	L617-M642 HydrophobicContact CB-CE 4.46Å; L617-M642 HydrophobicContact CB-CG 4.26Å; L617-M642 HydrophobicContact CD1-CE 4.04Å; I622-M642 HydrophobicContact CD1-CE 3.87Å; I622-M642 HydrophobicContact CG2-CE 4.41Å; V625-M642 HydrophobicContact CG2-CE 4.08Å; F630-M642 HydrophobicContact CE1-CE 4.21Å; F630-M642 HydrophobicContact CZ-CE 4.06Å; F634-M642 HydrophobicContact CZ-SD 3.97Å; L640-M642 HydrophobicContact CD1-CG 3.85Å; L640-M642 HydrophobicContact CD1-SD 4.05Å; L640-M642 HydrophobicContact CD2-CG 4.45Å; L640-M642 HydrophobicContact CD2-SD 4.17Å; L640-M642 HydrophobicContact CG-CG 4.09Å; L640-M642 HydrophobicContact CG-SD 4.38Å; M642-N645 PolarHBondContact O-ND2 2.91Å; M642-F647 HydrophobicContact CB-CZ 3.98Å; M642-F647 HydrophobicContact CE-CE1 4.46Å; M642-F647 WeakPolarHBondContact O-CZ 3.41Å; M642-F657 HydrophobicContact SD-CZ 4.1Å; M642-Y675 HydrophobicContact CB-CE1 3.9Å; M642-Y675 PolarHBondContact N-OH 3.13Å
643	R	96.4	Very high	94.9	Very high	43 Å²	43	46.5 Å²	46.5	16%	0.162	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	150.4	-178.1	-67.9	174.3	-64.3	163.7	-4.5	111.2	Q618 K619 D641 N645 E670 H674 Y675	Q618-R643 CarbonylContact C-O 2.98Å; Q618-R643 VanDerWaalsContact CA-O 3.31Å; Q618-R643 WeakPolarHBondContact CA-O 3.38Å; K619-R643 PolarHBondContact N-O 3.27Å; D641-R643 VanDerWaalsContact CG-NE 3.34Å; D641-R643 WeakPolarHBondContact OD1-CB 3.43Å; D641-R643 WeakPolarHBondContact OD1-CG 3.49Å; D641-R643 IonicContact OD1-CZ 2.72Å; D641-R643 PolarHBondContact OD1-N 2.97Å; D641-R643 IonicContact OD1-NE 3.83Å; D641-R643 PolarHBondContact OD1-NE 2.86Å; D641-R643 IonicContact OD2-CZ 3.71Å; D641-R643 VanDerWaalsContact OD2-CZ 3.23Å; D641-R643 IonicContact OD2-NE 3.47Å; D641-R643 PolarHBondContact OD2-NE 3.16Å; D641-R643 IonicContact OD2-NH2 3.92Å; D641-R643 PolarHBondContact OD2-NH2 3.01Å; R643-N645 VanDerWaalsContact C-N 3.29Å; R643-N645 PolarHBondContact O-N 3.39Å; R643-E670 WeakPolarHBondContact CD-OE2 3.44Å; R643-E670 IonicContact CZ-OE2 3.62Å; R643-E670 IonicContact NE-OE2 2.67Å; R643-E670 IonicContact NH1-OE1 3.69Å; R643-E670 PolarHBondContact NH1-OE1 2.79Å; R643-E670 IonicContact NH1-OE2 2.65Å; R643-E670 PolarHBondContact NH1-OE2 3.49Å; R643-H674 WeakPolarHBondContact CA-O 3.38Å; R643-H674 HydrophobicContact CB-CB 4.05Å; R643-H674 HydrophobicContact CG-CB 4.03Å; R643-Y675 HydrophobicContact CB-CE2 4.42Å; R643-Y675 HydrophobicContact CG-CD2 3.97Å; R643-Y675 HydrophobicContact CG-CE2 3.42Å; R643-Y675 VanDerWaalsContact CG-CE2 3.42Å
644	F	97.3	Very high	94.8	Very high	101 Å²	101	46.4 Å²	46.4	44%	0.443	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	30.5	177.5	-48	-79.7	0	0	0	115	K619 H674	K619-F644 HydrophobicContact CG-CB 3.8Å; K619-F644 HydrophobicContact CG-CD2 4.08Å; K619-F644 HydrophobicContact CG-CG 4.26Å; F644-H674 HydrophobicContact CD1-CB 4.44Å; F644-H674 HydrophobicContact CE1-CB 4Å; F644-H674 AromaticContact CE1-CD2 3.57Å; F644-H674 AromaticContact CE1-CG 3.72Å; F644-H674 HydrophobicContact CE2-CB 4.16Å; F644-H674 HydrophobicContact CZ-CB 3.84Å; F644-H674 AromaticContact CZ-CD2 3.68Å; F644-H674 AromaticContact CZ-CE1 3.98Å; F644-H674 AromaticContact CZ-CG 3.45Å; F644-H674 VanDerWaalsContact CZ-CG 3.45Å; F644-H674 AromaticContact CZ-ND1 3.66Å; F644-H674 PolarHBondContact N-O 3.07Å
645	N	98	Very high	94.7	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	24%	0.236	C	C	.	.			trans	-90.7	147.5	165.2	-81.3	-83.6	0	0	0	111.1	L617 N620 I622 M642 R643 F647	L617-N645 PolarHBondContact O-ND2 3.19Å; N620-N645 VanDerWaalsContact CA-OD1 3.29Å; N620-N645 WeakPolarHBondContact CA-OD1 3.44Å; N620-N645 WeakPolarHBondContact CB-OD1 3.42Å; N620-N645 PolarHBondContact N-OD1 3.37Å; N620-N645 PolarHBondContact O-OD1 3.32Å; N620-N645 VanDerWaalsContact O-OD1 3.14Å; I622-N645 HydrophobicContact CB-CB 4.31Å; I622-N645 WeakPolarHBondContact CB-OD1 3.36Å; I622-N645 WeakPolarHBondContact CG1-OD1 3.41Å; I622-N645 PolarHBondContact N-OD1 2.93Å; I622-N645 VanDerWaalsContact N-OD1 3.15Å; M642-N645 PolarHBondContact O-ND2 2.91Å; R643-N645 VanDerWaalsContact C-N 3.29Å; R643-N645 PolarHBondContact O-N 3.39Å; N645-F647 HydrophobicContact CB-CD1 4.36Å; N645-F647 HydrophobicContact CB-CD2 4.28Å; N645-F647 HydrophobicContact CB-CE1 3.96Å; N645-F647 HydrophobicContact CB-CE2 3.88Å; N645-F647 HydrophobicContact CB-CZ 3.72Å; N645-F647 WeakPolarHBondContact O-CD2 3.46Å; N645-F647 PolarHBondContact O-N 2.86Å
646	P	97.3	Very high	94.8	Very high	33 Å²	33	40.3 Å²	40.3	21%	0.214	21%	0.213	C	C	.	.			trans	-82.6	59.2	-178.5	36.6	-38.3	0	0	0	112.2	N620 I622 N678	N620-P646 VanDerWaalsContact O-CD 3.31Å; N620-P646 WeakPolarHBondContact O-CD 3.38Å; I622-P646 CarbonylContact O-C 3.56Å; P646-N678 HydrophobicContact CB-CB 3.85Å
647	F	97.9	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	138	-172.5	-64.3	-68.5	0	0	0	113.6	V625 M642 N645 I654 F657 Y675 N678 T679 V688	V625-F647 HydrophobicContact CG2-CD1 4Å; V625-F647 HydrophobicContact CG2-CE1 3.69Å; M642-F647 HydrophobicContact CB-CZ 3.98Å; M642-F647 HydrophobicContact CE-CE1 4.46Å; M642-F647 WeakPolarHBondContact O-CZ 3.41Å; N645-F647 HydrophobicContact CB-CD1 4.36Å; N645-F647 HydrophobicContact CB-CD2 4.28Å; N645-F647 HydrophobicContact CB-CE1 3.96Å; N645-F647 HydrophobicContact CB-CE2 3.88Å; N645-F647 HydrophobicContact CB-CZ 3.72Å; N645-F647 WeakPolarHBondContact O-CD2 3.46Å; N645-F647 PolarHBondContact O-N 2.86Å; F647-I654 HydrophobicContact CB-CD1 4.29Å; F647-I654 HydrophobicContact CD1-CD1 3.88Å; F647-I654 HydrophobicContact CG-CD1 4.36Å; F647-F657 HydrophobicContact CE1-CE1 4.19Å; F647-F657 HydrophobicContact CZ-CE1 4.26Å; F647-Y675 AromaticContact CE2-CD1 3.74Å; F647-Y675 HydrophobicContact CE2-CD1 3.74Å; F647-Y675 HydrophobicContact CE2-CE1 4.44Å; F647-Y675 HydrophobicContact CE2-CG 4.36Å; F647-Y675 AromaticContact CZ-CD1 3.96Å; F647-Y675 HydrophobicContact CZ-CD1 3.96Å; F647-Y675 HydrophobicContact CZ-CE1 4.28Å; F647-N678 PolarHBondContact O-N 2.98Å; F647-T679 PolarHBondContact O-N 3.16Å; F647-V688 HydrophobicContact CB-CG2 4.04Å; F647-V688 HydrophobicContact CD2-CG2 3.83Å; F647-V688 HydrophobicContact CG-CG2 4.13Å
648	D	96.3	Very high	95	Very high	25 Å²	25	35.4 Å²	35.4	13%	0.134	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.8	171.6	179.3	61.9	0	0	0	110.4	T623 T650 S653 T679	T623-D648 PolarHBondContact O-N 2.89Å; D648-T650 VanDerWaalsContact C-N 3.32Å; D648-T650 PolarHBondContact O-N 3.4Å; D648-T650 VanDerWaalsContact O-N 3.12Å; D648-T650 WeakPolarHBondContact OD2-CB 3.29Å; D648-T650 WeakPolarHBondContact OD2-CG2 3.46Å; D648-T650 PolarHBondContact OD2-OG1 3.05Å; D648-S653 WeakPolarHBondContact O-CB 3.44Å; D648-S653 VanDerWaalsContact OD2-CB 3.28Å; D648-S653 WeakPolarHBondContact OD2-CB 3.28Å; D648-S653 PolarHBondContact OD2-OG 2.99Å; D648-T679 WeakPolarHBondContact CA-OG1 3.19Å; D648-T679 WeakPolarHBondContact CB-OG1 3.5Å; D648-T679 VanDerWaalsContact OD1-CB 3.32Å; D648-T679 WeakPolarHBondContact OD1-CB 3.41Å; D648-T679 PolarHBondContact OD1-OG1 3.37Å
649	C	95.4	Very high	94.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	18%	0.181	C	C	.	.			trans	-91.7	69.9	-177	-70.7	0	0	0	0	111.3	C677 T679 P680 F691	C649-C677 HydrophobicContact CB-CB 3.69Å; C649-C677 WeakPolarHBondContact CB-SG 3.23Å; C649-C677 WeakPolarHBondContact SG-CB 3.44Å; C649-C677 CovalentContact SG-SG 2.02Å; C649-C677 PolarHBondContact SG-SG 3.31Å; C649-T679 PolarHBondContact N-O 3.38Å; C649-P680 WeakPolarHBondContact O-CD 3.33Å; C649-F691 HydrophobicContact CB-CD2 3.83Å; C649-F691 HydrophobicContact CB-CE2 3.92Å; C649-F691 WeakPolarHBondContact O-CE2 3.44Å
650	T	92.5	Very high	94.8	Very high	46 Å²	46	33.9 Å²	33.9	28%	0.282	17%	0.171	S	C	.	.	S	Bend	trans	-119.9	164.6	169.1	64.3	0	0	0	0	110.7	D648 E652 S653 I654	D648-T650 VanDerWaalsContact C-N 3.32Å; D648-T650 PolarHBondContact O-N 3.4Å; D648-T650 VanDerWaalsContact O-N 3.12Å; D648-T650 WeakPolarHBondContact OD2-CB 3.29Å; D648-T650 WeakPolarHBondContact OD2-CG2 3.46Å; D648-T650 PolarHBondContact OD2-OG1 3.05Å; T650-E652 VanDerWaalsContact C-N 3.28Å; T650-E652 PolarHBondContact O-N 3.16Å; T650-S653 PolarHBondContact O-N 2.99Å; T650-S653 WeakPolarHBondContact OG1-CB 3.46Å; T650-S653 PolarHBondContact OG1-N 2.92Å; T650-S653 PolarHBondContact OG1-OG 2.94Å; T650-S653 VanDerWaalsContact OG1-OG 3.14Å; T650-I654 PolarHBondContact O-N 3.08Å; T650-I654 VanDerWaalsContact O-N 3.09Å
651	C	89.8	Confident	94.7	Very high	64 Å²	64	34.5 Å²	34.5	43%	0.432	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.1	-178.2	-72.2	0	0	0	0	113.8	A655 C696	C651-A655 WeakPolarHBondContact O-CB 3.33Å; C651-C696 WeakPolarHBondContact CA-SG 3.43Å; C651-C696 HydrophobicContact CB-CB 3.59Å; C651-C696 WeakPolarHBondContact CB-SG 3.2Å; C651-C696 WeakPolarHBondContact SG-CA 3.36Å; C651-C696 WeakPolarHBondContact SG-CB 3.34Å; C651-C696 CovalentContact SG-SG 2.04Å; C651-C696 PolarHBondContact SG-SG 3.25Å
652	E	88.1	Confident	94.4	Very high	173 Å²	173	38 Å²	38	81%	0.808	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-49.3	177.7	-171.1	169.4	-172.5	0	0	110.7	T650	T650-E652 VanDerWaalsContact C-N 3.28Å; T650-E652 PolarHBondContact O-N 3.16Å
653	S	92.1	Very high	94.2	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-40.4	-174.5	-63.7	0	0	0	0	115.2	V625 D648 T650	V625-S653 PolarHBondContact N-O 3.32Å; D648-S653 WeakPolarHBondContact O-CB 3.44Å; D648-S653 VanDerWaalsContact OD2-CB 3.28Å; D648-S653 WeakPolarHBondContact OD2-CB 3.28Å; D648-S653 PolarHBondContact OD2-OG 2.99Å; T650-S653 PolarHBondContact O-N 2.99Å; T650-S653 WeakPolarHBondContact OG1-CB 3.46Å; T650-S653 PolarHBondContact OG1-N 2.92Å; T650-S653 PolarHBondContact OG1-OG 2.94Å; T650-S653 VanDerWaalsContact OG1-OG 3.14Å
654	I	93.4	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-14.7	-164.3	-139.6	68.9	0	0	0	116	V625 F647 T650 W656 F657 V658 V688 F691	V625-I654 HydrophobicContact CB-CD1 4.17Å; V625-I654 HydrophobicContact CG2-CD1 3.9Å; F647-I654 HydrophobicContact CB-CD1 4.29Å; F647-I654 HydrophobicContact CD1-CD1 3.88Å; F647-I654 HydrophobicContact CG-CD1 4.36Å; T650-I654 PolarHBondContact O-N 3.08Å; T650-I654 VanDerWaalsContact O-N 3.09Å; I654-W656 VanDerWaalsContact C-N 3.29Å; I654-W656 PolarHBondContact O-N 3.47Å; I654-F657 HydrophobicContact CD1-CB 4.48Å; I654-F657 HydrophobicContact CD1-CD1 3.85Å; I654-F657 HydrophobicContact CG1-CB 4.49Å; I654-F657 HydrophobicContact CG1-CD1 4.19Å; I654-F657 PolarHBondContact O-N 3.37Å; I654-V658 HydrophobicContact CG1-CG2 4.31Å; I654-V658 HydrophobicContact CG2-CG2 4.04Å; I654-V658 PolarHBondContact O-N 3.36Å; I654-V688 HydrophobicContact CG1-CG1 3.88Å; I654-F691 HydrophobicContact CG2-CD1 3.72Å; I654-F691 HydrophobicContact CG2-CE1 3.85Å; I654-F691 HydrophobicContact CG2-CG 4.22Å; I654-F691 HydrophobicContact CG2-CZ 4.45Å
655	A	91.9	Very high	93.8	Very high	11 Å²	11	49.3 Å²	49.3	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-30.9	-168.8	0	0	0	0	0	113.8	C651 N659 T693 C696	C651-A655 WeakPolarHBondContact O-CB 3.33Å; A655-N659 WeakPolarHBondContact O-CB 3.35Å; A655-N659 PolarHBondContact O-N 2.94Å; A655-N659 PolarHBondContact O-ND2 2.94Å; A655-T693 HydrophobicContact CB-CG2 3.99Å; A655-C696 HydrophobicContact CB-CB 4.2Å
656	W	93.8	Very high	93.6	Very high	71 Å²	71	49.7 Å²	49.7	27%	0.269	25%	0.253	S	S	.	.	H	α-helix	trans	-66.6	-44.5	172.2	176.2	76.9	0	0	0	111.9	V625 K627 F630 F634 I654 N659 W660	V625-W656 HydrophobicContact CG1-CZ3 4.47Å; K627-W656 HydrophobicContact CB-CD2 3.73Å; K627-W656 HydrophobicContact CB-CE3 4.34Å; K627-W656 HydrophobicContact CB-CG 3.8Å; K627-W656 HydrophobicContact CB-CZ2 4.4Å; K627-W656 HydrophobicContact CG-CD2 4.23Å; K627-W656 HydrophobicContact CG-CG 4.4Å; K627-W656 HydrophobicContact CG-CZ2 4.13Å; F630-W656 HydrophobicContact CB-CH2 4.06Å; F630-W656 HydrophobicContact CB-CZ3 3.77Å; F634-W656 HydrophobicContact CB-CH2 4.11Å; F634-W656 AromaticContact CD2-CH2 3.47Å; F634-W656 HydrophobicContact CD2-CH2 3.47Å; F634-W656 VanDerWaalsContact CD2-CH2 3.47Å; F634-W656 AromaticContact CD2-CZ3 3.66Å; F634-W656 HydrophobicContact CD2-CZ3 3.66Å; F634-W656 HydrophobicContact CE2-CH2 4.12Å; F634-W656 AromaticContact CE2-CZ3 3.82Å; F634-W656 HydrophobicContact CE2-CZ3 3.82Å; F634-W656 HydrophobicContact CG-CH2 4.04Å; I654-W656 VanDerWaalsContact C-N 3.29Å; I654-W656 PolarHBondContact O-N 3.47Å; W656-N659 CarbonylContact O-C 3.45Å; W656-N659 WeakPolarHBondContact O-CB 3.45Å; W656-N659 PolarHBondContact O-N 3.31Å; W656-W660 PolarHBondContact O-N 3.46Å
657	F	95.8	Very high	93.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-44.3	-178.4	-178.9	-144.3	0	0	0	112	V625 F634 L640 M642 F647 I654 N659 W660 I661 Y675 V688	V625-F657 HydrophobicContact CB-CB 3.8Å; V625-F657 HydrophobicContact CB-CD1 3.9Å; V625-F657 HydrophobicContact CB-CG 3.91Å; V625-F657 HydrophobicContact CG1-CB 3.78Å; V625-F657 HydrophobicContact CG1-CD1 3.97Å; V625-F657 HydrophobicContact CG1-CD2 3.89Å; V625-F657 HydrophobicContact CG1-CE1 4.46Å; V625-F657 HydrophobicContact CG1-CE2 4.39Å; V625-F657 HydrophobicContact CG1-CG 3.64Å; V625-F657 HydrophobicContact CG2-CD1 3.87Å; V625-F657 HydrophobicContact CG2-CE1 4.18Å; V625-F657 HydrophobicContact CG2-CG 4.36Å; F634-F657 AromaticContact CE2-CD2 3.67Å; F634-F657 HydrophobicContact CE2-CD2 3.67Å; F634-F657 AromaticContact CE2-CE2 3.68Å; F634-F657 HydrophobicContact CE2-CE2 3.68Å; F634-F657 HydrophobicContact CZ-CD2 4.45Å; F634-F657 HydrophobicContact CZ-CE2 4.16Å; L640-F657 HydrophobicContact CD2-CE2 3.89Å; L640-F657 HydrophobicContact CD2-CZ 4.23Å; M642-F657 HydrophobicContact SD-CZ 4.1Å; F647-F657 HydrophobicContact CE1-CE1 4.19Å; F647-F657 HydrophobicContact CZ-CE1 4.26Å; I654-F657 HydrophobicContact CD1-CB 4.48Å; I654-F657 HydrophobicContact CD1-CD1 3.85Å; I654-F657 HydrophobicContact CG1-CB 4.49Å; I654-F657 HydrophobicContact CG1-CD1 4.19Å; I654-F657 PolarHBondContact O-N 3.37Å; F657-N659 VanDerWaalsContact C-N 3.29Å; F657-N659 PolarHBondContact O-N 3.46Å; F657-W660 HydrophobicContact CD2-CE3 4.05Å; F657-W660 AromaticContact CE2-CE3 3.98Å; F657-W660 HydrophobicContact CE2-CE3 3.98Å; F657-W660 HydrophobicContact CE2-CZ3 4.08Å; F657-W660 CarbonylContact O-C 3.47Å; F657-W660 WeakPolarHBondContact O-CB 3.49Å; F657-W660 PolarHBondContact O-N 3.01Å; F657-I661 HydrophobicContact CD1-CD1 3.94Å; F657-I661 HydrophobicContact CD2-CD1 3.89Å; F657-I661 HydrophobicContact CD2-CG1 3.92Å; F657-I661 HydrophobicContact CE1-CD1 3.81Å; F657-I661 HydrophobicContact CE2-CD1 3.76Å; F657-I661 HydrophobicContact CE2-CG1 3.77Å; F657-I661 HydrophobicContact CG-CD1 4Å; F657-I661 HydrophobicContact CG-CG1 4.48Å; F657-I661 HydrophobicContact CZ-CD1 3.73Å; F657-I661 HydrophobicContact CZ-CG1 4.2Å; F657-I661 WeakPolarHBondContact O-CG1 3.25Å; F657-I661 PolarHBondContact O-N 2.89Å; F657-Y675 HydrophobicContact CE1-CD1 4.38Å; F657-Y675 HydrophobicContact CE1-CE1 4.44Å; F657-Y675 HydrophobicContact CZ-CD1 4.42Å; F657-Y675 HydrophobicContact CZ-CE1 4.09Å; F657-V688 HydrophobicContact CD1-CG1 4.47Å
658	V	94.9	Very high	93.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-38.1	174.9	178.9	0	0	0	0	111.4	I654 W660 N662 V688 F691 T693	I654-V658 HydrophobicContact CG1-CG2 4.31Å; I654-V658 HydrophobicContact CG2-CG2 4.04Å; I654-V658 PolarHBondContact O-N 3.36Å; V658-W660 VanDerWaalsContact C-N 3.3Å; V658-W660 PolarHBondContact O-N 3.43Å; V658-N662 PolarHBondContact O-N 2.77Å; V658-N662 VanDerWaalsContact O-N 3.15Å; V658-N662 PolarHBondContact O-ND2 3.07Å; V658-V688 HydrophobicContact CG2-CG1 3.8Å; V658-V688 WeakPolarHBondContact CG2-O 3.3Å; V658-F691 HydrophobicContact CG2-CB 4.27Å; V658-F691 HydrophobicContact CG2-CD1 4.44Å; V658-T693 HydrophobicContact CB-CG2 3.8Å; V658-T693 HydrophobicContact CG1-CG2 3.82Å
659	N	92.9	Very high	93	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-68.9	-23.5	173.5	-88.6	-74	0	0	0	114.2	A655 W656 F657 K663 T693	A655-N659 WeakPolarHBondContact O-CB 3.35Å; A655-N659 PolarHBondContact O-N 2.94Å; A655-N659 PolarHBondContact O-ND2 2.94Å; W656-N659 CarbonylContact O-C 3.45Å; W656-N659 WeakPolarHBondContact O-CB 3.45Å; W656-N659 PolarHBondContact O-N 3.31Å; F657-N659 VanDerWaalsContact C-N 3.29Å; F657-N659 PolarHBondContact O-N 3.46Å; N659-K663 WeakPolarHBondContact O-CD 3.33Å; N659-K663 WeakPolarHBondContact O-CG 3.48Å; N659-T693 VanDerWaalsContact ND2-CB 3.33Å; N659-T693 WeakPolarHBondContact ND2-CB 3.25Å; N659-T693 PolarHBondContact ND2-OG1 2.94Å
660	W	94.9	Very high	92.9	Very high	36 Å²	36	58.6 Å²	58.6	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-82.6	-45.6	172.6	177.4	90.7	0	0	0	111.4	F634 L640 W656 F657 V658 N662 K663 T664 A666 I668	F634-W660 HydrophobicContact CB-CD2 4.49Å; F634-W660 HydrophobicContact CB-CZ2 3.89Å; F634-W660 AromaticContact CD2-CD2 3.69Å; F634-W660 HydrophobicContact CD2-CD2 3.69Å; F634-W660 AromaticContact CD2-CE2 3.77Å; F634-W660 AromaticContact CD2-CE3 3.85Å; F634-W660 HydrophobicContact CD2-CE3 3.85Å; F634-W660 HydrophobicContact CD2-CG 4.21Å; F634-W660 HydrophobicContact CD2-CH2 4.17Å; F634-W660 HydrophobicContact CD2-CZ2 4.03Å; F634-W660 HydrophobicContact CD2-CZ3 4.08Å; F634-W660 HydrophobicContact CE2-CD2 4.4Å; F634-W660 HydrophobicContact CE2-CE3 4.12Å; F634-W660 HydrophobicContact CE2-CZ3 4.24Å; F634-W660 HydrophobicContact CG-CD2 4.48Å; F634-W660 HydrophobicContact CG-CH2 4.42Å; F634-W660 HydrophobicContact CG-CZ2 4.08Å; F634-W660 PolarHBondContact O-NE1 2.78Å; L640-W660 HydrophobicContact CB-CH2 4.48Å; L640-W660 HydrophobicContact CD2-CH2 3.78Å; L640-W660 HydrophobicContact CD2-CZ3 3.57Å; W656-W660 PolarHBondContact O-N 3.46Å; F657-W660 HydrophobicContact CD2-CE3 4.05Å; F657-W660 AromaticContact CE2-CE3 3.98Å; F657-W660 HydrophobicContact CE2-CE3 3.98Å; F657-W660 HydrophobicContact CE2-CZ3 4.08Å; F657-W660 CarbonylContact O-C 3.47Å; F657-W660 WeakPolarHBondContact O-CB 3.49Å; F657-W660 PolarHBondContact O-N 3.01Å; V658-W660 VanDerWaalsContact C-N 3.3Å; V658-W660 PolarHBondContact O-N 3.43Å; W660-N662 VanDerWaalsContact C-N 3.26Å; W660-N662 PolarHBondContact O-N 2.75Å; W660-K663 CarbonylContact O-C 3.49Å; W660-K663 PolarHBondContact O-N 3.18Å; W660-T664 HydrophobicContact CD2-CG2 4.27Å; W660-T664 HydrophobicContact CE3-CG2 4.05Å; W660-T664 HydrophobicContact CH2-CG2 3.9Å; W660-T664 HydrophobicContact CZ2-CG2 4.12Å; W660-T664 VanDerWaalsContact CZ2-OG1 3.3Å; W660-T664 WeakPolarHBondContact CZ2-OG1 3.33Å; W660-T664 HydrophobicContact CZ3-CG2 3.86Å; W660-T664 WeakPolarHBondContact O-CB 3.35Å; W660-T664 PolarHBondContact O-N 3.37Å; W660-A666 HydrophobicContact CH2-CB 4.04Å; W660-A666 HydrophobicContact CZ2-CB 4.31Å; W660-I668 HydrophobicContact CH2-CD1 4.41Å; W660-I668 HydrophobicContact CZ3-CD1 3.79Å
661	I	94.6	Very high	92.9	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-52.3	-44.9	175.4	-71.6	164.2	0	0	0	110.9	F657 K663 I668 L671 R689	F657-I661 HydrophobicContact CD1-CD1 3.94Å; F657-I661 HydrophobicContact CD2-CD1 3.89Å; F657-I661 HydrophobicContact CD2-CG1 3.92Å; F657-I661 HydrophobicContact CE1-CD1 3.81Å; F657-I661 HydrophobicContact CE2-CD1 3.76Å; F657-I661 HydrophobicContact CE2-CG1 3.77Å; F657-I661 HydrophobicContact CG-CD1 4Å; F657-I661 HydrophobicContact CG-CG1 4.48Å; F657-I661 HydrophobicContact CZ-CD1 3.73Å; F657-I661 HydrophobicContact CZ-CG1 4.2Å; F657-I661 WeakPolarHBondContact O-CG1 3.25Å; F657-I661 PolarHBondContact O-N 2.89Å; I661-K663 PolarHBondContact O-N 3.46Å; I661-I668 HydrophobicContact CG1-CD1 4.17Å; I661-L671 HydrophobicContact CD1-CD1 4.22Å; I661-L671 HydrophobicContact CG2-CD1 4.1Å; I661-L671 HydrophobicContact CG2-CD2 3.67Å; I661-L671 HydrophobicContact CG2-CG 4.49Å; I661-R689 HydrophobicContact CG2-CG 4.48Å
662	N	91.4	Very high	92.8	Very high	91 Å²	91	58.6 Å²	58.6	49%	0.487	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	4.6	-178.9	-72	-40	0	0	0	114.5	V658 W660	V658-N662 PolarHBondContact O-N 2.77Å; V658-N662 VanDerWaalsContact O-N 3.15Å; V658-N662 PolarHBondContact O-ND2 3.07Å; W660-N662 VanDerWaalsContact C-N 3.26Å; W660-N662 PolarHBondContact O-N 2.75Å
663	K	93.2	Very high	92.9	Very high	150 Å²	150	52.7 Å²	52.7	65%	0.652	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-16.9	179.5	-65.7	178.6	-171.8	167.6	0	114.5	N659 W660 I661	N659-K663 WeakPolarHBondContact O-CD 3.33Å; N659-K663 WeakPolarHBondContact O-CG 3.48Å; W660-K663 CarbonylContact O-C 3.49Å; W660-K663 PolarHBondContact O-N 3.18Å; I661-K663 PolarHBondContact O-N 3.46Å
664	T	93.1	Very high	93	Very high	39 Å²	39	54.8 Å²	54.8	24%	0.239	29%	0.285	C	S	.	.			trans	-76.5	154.4	-177.2	-166.2	0	0	0	0	111.8	W660 A666 I668	W660-T664 HydrophobicContact CD2-CG2 4.27Å; W660-T664 HydrophobicContact CE3-CG2 4.05Å; W660-T664 HydrophobicContact CH2-CG2 3.9Å; W660-T664 HydrophobicContact CZ2-CG2 4.12Å; W660-T664 VanDerWaalsContact CZ2-OG1 3.3Å; W660-T664 WeakPolarHBondContact CZ2-OG1 3.33Å; W660-T664 HydrophobicContact CZ3-CG2 3.86Å; W660-T664 WeakPolarHBondContact O-CB 3.35Å; W660-T664 PolarHBondContact O-N 3.37Å; T664-A666 HydrophobicContact CG2-CB 4.24Å; T664-A666 WeakPolarHBondContact OG1-CB 3.06Å; T664-A666 PolarHBondContact OG1-N 3Å; T664-A666 VanDerWaalsContact OG1-N 3.15Å; T664-I668 HydrophobicContact CG2-CD1 4.17Å
665	H	92.7	Very high	93.1	Very high	194 Å²	194	54.8 Å²	54.8	90%	0.898	29%	0.285	S	S	*	.			trans	-105.1	4.3	168.5	-62.3	80.6	0	0	0	111.6
666	A	93.1	Very high	93.3	Very high	15 Å²	15	57.4 Å²	57.4	12%	0.124	30%	0.297	C	S	.	.	S	Bend	trans	-63.8	141	174.3	0	0	0	0	0	110.8	L637 W660 T664 I668	L637-A666 HydrophobicContact CB-CB 4.43Å; W660-A666 HydrophobicContact CH2-CB 4.04Å; W660-A666 HydrophobicContact CZ2-CB 4.31Å; T664-A666 HydrophobicContact CG2-CB 4.24Å; T664-A666 WeakPolarHBondContact OG1-CB 3.06Å; T664-A666 PolarHBondContact OG1-N 3Å; T664-A666 VanDerWaalsContact OG1-N 3.15Å; A666-I668 PolarHBondContact O-N 3.08Å
667	N	93.9	Very high	93.5	Very high	95 Å²	95	54.1 Å²	54.1	51%	0.508	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-74	121.3	173.6	174	40	0	0	0	109.9	S638 N639 L640	S638-N667 PolarHBondContact O-N 3.26Å; N639-N667 WeakPolarHBondContact CA-O 3.41Å; N639-N667 WeakPolarHBondContact OD1-CB 3.47Å; N639-N667 PolarHBondContact OD1-ND2 3.14Å; L640-N667 PolarHBondContact N-O 2.89Å; L640-N667 VanDerWaalsContact N-O 3.1Å
668	I	95.6	Very high	93.4	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.097	30%	0.301	C	S	.	.			trans	-122.5	97.3	178.3	-50	178.4	0	0	0	107.6	L640 W660 I661 T664 A666 L671 Y675	L640-I668 HydrophobicContact CB-CG1 4.48Å; W660-I668 HydrophobicContact CH2-CD1 4.41Å; W660-I668 HydrophobicContact CZ3-CD1 3.79Å; I661-I668 HydrophobicContact CG1-CD1 4.17Å; T664-I668 HydrophobicContact CG2-CD1 4.17Å; A666-I668 PolarHBondContact O-N 3.08Å; I668-L671 HydrophobicContact CB-CB 4.3Å; I668-L671 HydrophobicContact CB-CD2 4.44Å; I668-L671 HydrophobicContact CG2-CB 4.03Å; I668-L671 HydrophobicContact CG2-CD1 4.12Å; I668-L671 HydrophobicContact CG2-CG 4.47Å; I668-Y675 HydrophobicContact CG2-CE1 4.25Å; I668-Y675 HydrophobicContact CG2-CE2 3.69Å; I668-Y675 VanDerWaalsContact CG2-CZ 3.49Å; I668-Y675 VanDerWaalsContact CG2-OH 3.28Å; I668-Y675 WeakPolarHBondContact CG2-OH 3.37Å
669	P	90.7	Very high	93.3	Very high	44 Å²	44	59.4 Å²	59.4	29%	0.286	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	142.2	-177.2	27.2	-33.9	0	0	0	110.9	L671	P669-L671 PolarHBondContact O-N 2.71Å
670	E	91.8	Very high	93.4	Very high	88 Å²	88	58.6 Å²	58.6	41%	0.411	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	24	171.8	-60.3	163.5	-165.7	0	0	115	R643 S672 S673 H674	R643-E670 WeakPolarHBondContact CD-OE2 3.44Å; R643-E670 IonicContact CZ-OE2 3.62Å; R643-E670 IonicContact NE-OE2 2.67Å; R643-E670 IonicContact NH1-OE1 3.69Å; R643-E670 PolarHBondContact NH1-OE1 2.79Å; R643-E670 IonicContact NH1-OE2 2.65Å; R643-E670 PolarHBondContact NH1-OE2 3.49Å; E670-S672 PolarHBondContact O-N 3.16Å; E670-S673 PolarHBondContact O-N 3.08Å; E670-S673 PolarHBondContact O-OG 3.04Å; E670-H674 HydrophobicContact CB-CB 4.45Å; E670-H674 PolarHBondContact O-N 2.91Å; E670-H674 IonicContact OE2-CE1 2.71Å; E670-H674 PolarHBondContact OE2-CE1 3.21Å; E670-H674 IonicContact OE2-CG 3.73Å; E670-H674 IonicContact OE2-ND1 3.88Å; E670-H674 PolarHBondContact OE2-ND1 2.96Å
671	L	92.3	Very high	93.3	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.099	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-29.1	-179.7	174.4	61.6	0	0	0	114.4	I661 I668 P669 Y675 R689	I661-L671 HydrophobicContact CD1-CD1 4.22Å; I661-L671 HydrophobicContact CG2-CD1 4.1Å; I661-L671 HydrophobicContact CG2-CD2 3.67Å; I661-L671 HydrophobicContact CG2-CG 4.49Å; I668-L671 HydrophobicContact CB-CB 4.3Å; I668-L671 HydrophobicContact CB-CD2 4.44Å; I668-L671 HydrophobicContact CG2-CB 4.03Å; I668-L671 HydrophobicContact CG2-CD1 4.12Å; I668-L671 HydrophobicContact CG2-CG 4.47Å; P669-L671 PolarHBondContact O-N 2.71Å; L671-Y675 HydrophobicContact CD1-CD1 4.41Å; L671-Y675 HydrophobicContact CD1-CD2 4.27Å; L671-Y675 HydrophobicContact CD1-CG 4.11Å; L671-R689 HydrophobicContact CD1-CB 4.44Å; L671-R689 HydrophobicContact CG-CB 4.42Å
672	S	87.7	Confident	93.2	Very high	91 Å²	91	69.3 Å²	69.3	64%	0.636	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-10	179.6	53.8	0	0	0	0	115	E670	E670-S672 PolarHBondContact O-N 3.16Å
673	S	90.6	Very high	93.3	Very high	50 Å²	50	68.5 Å²	68.5	35%	0.35	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-34.8	-174.2	56.7	0	0	0	0	114.4	E670	E670-S673 PolarHBondContact O-N 3.08Å; E670-S673 PolarHBondContact O-OG 3.04Å
674	H	94.6	Very high	93.4	Very high	62 Å²	62	67.3 Å²	67.3	29%	0.287	36%	0.36	S	S	.	.	S	Bend	trans	-120.8	11.7	-171.4	-57.2	139.1	0	0	0	114.6	R643 F644 E670	R643-H674 WeakPolarHBondContact CA-O 3.38Å; R643-H674 HydrophobicContact CB-CB 4.05Å; R643-H674 HydrophobicContact CG-CB 4.03Å; F644-H674 HydrophobicContact CD1-CB 4.44Å; F644-H674 HydrophobicContact CE1-CB 4Å; F644-H674 AromaticContact CE1-CD2 3.57Å; F644-H674 AromaticContact CE1-CG 3.72Å; F644-H674 HydrophobicContact CE2-CB 4.16Å; F644-H674 HydrophobicContact CZ-CB 3.84Å; F644-H674 AromaticContact CZ-CD2 3.68Å; F644-H674 AromaticContact CZ-CE1 3.98Å; F644-H674 AromaticContact CZ-CG 3.45Å; F644-H674 VanDerWaalsContact CZ-CG 3.45Å; F644-H674 AromaticContact CZ-ND1 3.66Å; F644-H674 PolarHBondContact N-O 3.07Å; E670-H674 HydrophobicContact CB-CB 4.45Å; E670-H674 PolarHBondContact O-N 2.91Å; E670-H674 IonicContact OE2-CE1 2.71Å; E670-H674 PolarHBondContact OE2-CE1 3.21Å; E670-H674 IonicContact OE2-CG 3.73Å; E670-H674 IonicContact OE2-ND1 3.88Å; E670-H674 PolarHBondContact OE2-ND1 2.96Å
675	Y	96.7	Very high	93.4	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.368	C	S	.	.			trans	-109	84.8	165.7	-74.5	-107.9	0	0	0	108.6	L640 M642 R643 F647 F657 I668 L671 V688	L640-Y675 PolarHBondContact O-OH 3.29Å; M642-Y675 HydrophobicContact CB-CE1 3.9Å; M642-Y675 PolarHBondContact N-OH 3.13Å; R643-Y675 HydrophobicContact CB-CE2 4.42Å; R643-Y675 HydrophobicContact CG-CD2 3.97Å; R643-Y675 HydrophobicContact CG-CE2 3.42Å; R643-Y675 VanDerWaalsContact CG-CE2 3.42Å; F647-Y675 AromaticContact CE2-CD1 3.74Å; F647-Y675 HydrophobicContact CE2-CD1 3.74Å; F647-Y675 HydrophobicContact CE2-CE1 4.44Å; F647-Y675 HydrophobicContact CE2-CG 4.36Å; F647-Y675 AromaticContact CZ-CD1 3.96Å; F647-Y675 HydrophobicContact CZ-CD1 3.96Å; F647-Y675 HydrophobicContact CZ-CE1 4.28Å; F657-Y675 HydrophobicContact CE1-CD1 4.38Å; F657-Y675 HydrophobicContact CE1-CE1 4.44Å; F657-Y675 HydrophobicContact CZ-CD1 4.42Å; F657-Y675 HydrophobicContact CZ-CE1 4.09Å; I668-Y675 HydrophobicContact CG2-CE1 4.25Å; I668-Y675 HydrophobicContact CG2-CE2 3.69Å; I668-Y675 VanDerWaalsContact CG2-CZ 3.49Å; I668-Y675 VanDerWaalsContact CG2-OH 3.28Å; I668-Y675 WeakPolarHBondContact CG2-OH 3.37Å; L671-Y675 HydrophobicContact CD1-CD1 4.41Å; L671-Y675 HydrophobicContact CD1-CD2 4.27Å; L671-Y675 HydrophobicContact CD1-CG 4.11Å; Y675-V688 WeakPolarHBondContact O-CG2 3.31Å; Y675-V688 PolarHBondContact O-N 3.34Å
676	L	95.9	Very high	93.5	Very high	66 Å²	66	61.7 Å²	61.7	35%	0.346	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-114.5	138.3	-174.1	-54.8	-178.8	0	0	0	110.7	F686 P687	L676-F686 WeakPolarHBondContact CA-O 3.45Å; L676-P687 HydrophobicContact CD2-CB 4.42Å; L676-P687 HydrophobicContact CD2-CG 4.26Å
677	C	96.2	Very high	93.6	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.5	168.4	-59.1	0	0	0	0	109.9	C649 Y683 G685 F686	C649-C677 HydrophobicContact CB-CB 3.69Å; C649-C677 WeakPolarHBondContact CB-SG 3.23Å; C649-C677 WeakPolarHBondContact SG-CB 3.44Å; C649-C677 CovalentContact SG-SG 2.02Å; C649-C677 PolarHBondContact SG-SG 3.31Å; C677-Y683 WeakPolarHBondContact CB-O 3.41Å; C677-G685 PolarHBondContact O-N 3.03Å; C677-F686 HydrophobicContact CB-CB 4.37Å; C677-F686 WeakPolarHBondContact CB-O 3.13Å; C677-F686 PolarHBondContact N-O 2.76Å; C677-F686 PolarHBondContact SG-O 3.22Å
678	N	95.2	Very high	93.7	Very high	65 Å²	65	57.9 Å²	57.9	35%	0.348	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-41.5	171.7	178.1	53.7	0	0	0	111.6	P646 F647 H684	P646-N678 HydrophobicContact CB-CB 3.85Å; F647-N678 PolarHBondContact O-N 2.98Å; N678-H684 PolarHBondContact O-ND1 3.32Å; N678-H684 PolarHBondContact OD1-CE1 2.9Å; N678-H684 VanDerWaalsContact OD1-CE1 3.24Å; N678-H684 PolarHBondContact OD1-ND1 3.36Å
679	T	92.9	Very high	93.6	Very high	46 Å²	46	63 Å²	63	28%	0.282	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	161.3	175.1	51.4	0	0	0	0	111	F647 D648 C649	F647-T679 PolarHBondContact O-N 3.16Å; D648-T679 WeakPolarHBondContact CA-OG1 3.19Å; D648-T679 WeakPolarHBondContact CB-OG1 3.5Å; D648-T679 VanDerWaalsContact OD1-CB 3.32Å; D648-T679 WeakPolarHBondContact OD1-CB 3.41Å; D648-T679 PolarHBondContact OD1-OG1 3.37Å; C649-T679 PolarHBondContact N-O 3.38Å
680	P	95	Very high	93.7	Very high	45 Å²	45	66.4 Å²	66.4	29%	0.292	35%	0.354	S	S	.	.	S	Bend	cis	-65.4	164.4	-16.7	31.2	-36.8	0	0	0	111.4	C649 H682 Y683 H684	C649-P680 WeakPolarHBondContact O-CD 3.33Å; P680-H682 PolarHBondContact O-N 3.05Å; P680-Y683 HydrophobicContact CG-CD2 3.96Å; P680-Y683 PolarHBondContact O-N 2.96Å; P680-H684 PolarHBondContact O-N 3.32Å
681	P	92.5	Very high	93.7	Very high	115 Å²	115	62.9 Å²	62.9	75%	0.747	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-55.1	-26.2	-172.6	-29.7	36.5	0	0	0	116	Y683 H684	P681-Y683 VanDerWaalsContact C-N 3.27Å; P681-Y683 PolarHBondContact O-N 2.71Å; P681-H684 WeakPolarHBondContact O-CB 3.29Å; P681-H684 PolarHBondContact O-N 3.26Å
682	H	93.3	Very high	93.6	Very high	159 Å²	159	65.6 Å²	65.6	74%	0.736	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-62	-31.8	173.5	179	-87.8	0	0	0	113.5	P680	P680-H682 PolarHBondContact O-N 3.05Å
683	Y	93.3	Very high	93.6	Very high	74 Å²	74	62.6 Å²	62.6	29%	0.29	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-100.1	10.4	177.5	-69.9	-62.5	0	0	0	112.7	C677 P680 P681 G685 F686 F691	C677-Y683 WeakPolarHBondContact CB-O 3.41Å; P680-Y683 HydrophobicContact CG-CD2 3.96Å; P680-Y683 PolarHBondContact O-N 2.96Å; P681-Y683 VanDerWaalsContact C-N 3.27Å; P681-Y683 PolarHBondContact O-N 2.71Å; Y683-G685 PolarHBondContact O-N 3.04Å; Y683-F686 HydrophobicContact CD1-CB 4.27Å; Y683-F686 AromaticContact CD1-CD1 3.96Å; Y683-F686 HydrophobicContact CD1-CD1 3.96Å; Y683-F686 HydrophobicContact CD1-CE1 4.46Å; Y683-F686 HydrophobicContact CD1-CG 4.08Å; Y683-F686 WeakPolarHBondContact O-CB 3.31Å; Y683-F686 PolarHBondContact O-N 2.91Å; Y683-F691 HydrophobicContact CD2-CE2 4.24Å; Y683-F691 HydrophobicContact CE2-CD2 4.42Å; Y683-F691 AromaticContact CE2-CE2 3.88Å; Y683-F691 HydrophobicContact CE2-CE2 3.88Å
684	H	94.9	Very high	93.2	Very high	125 Å²	125	63.8 Å²	63.8	58%	0.579	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	123.1	-177.9	-173	80.3	0	0	0	112	N678 P680 P681 F686	N678-H684 PolarHBondContact O-ND1 3.32Å; N678-H684 PolarHBondContact OD1-CE1 2.9Å; N678-H684 VanDerWaalsContact OD1-CE1 3.24Å; N678-H684 PolarHBondContact OD1-ND1 3.36Å; P680-H684 PolarHBondContact O-N 3.32Å; P681-H684 WeakPolarHBondContact O-CB 3.29Å; P681-H684 PolarHBondContact O-N 3.26Å; H684-F686 VanDerWaalsContact C-N 3.29Å; H684-F686 PolarHBondContact O-N 3.46Å
685	G	92.1	Very high	92.5	Very high	39 Å²	39	64.9 Å²	64.9	40%	0.402	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	2.8	-174.9	0	0	0	0	0	115.1	C677 Y683	C677-G685 PolarHBondContact O-N 3.03Å; Y683-G685 PolarHBondContact O-N 3.04Å
686	F	94.8	Very high	91.5	Very high	76 Å²	76	66.1 Å²	66.1	33%	0.333	36%	0.361	S	S	.	.			trans	-77.8	137.4	179.7	-169	-103.7	0	0	0	111.5	L676 C677 Y683 H684 V688 L690	L676-F686 WeakPolarHBondContact CA-O 3.45Å; C677-F686 HydrophobicContact CB-CB 4.37Å; C677-F686 WeakPolarHBondContact CB-O 3.13Å; C677-F686 PolarHBondContact N-O 2.76Å; C677-F686 PolarHBondContact SG-O 3.22Å; Y683-F686 HydrophobicContact CD1-CB 4.27Å; Y683-F686 AromaticContact CD1-CD1 3.96Å; Y683-F686 HydrophobicContact CD1-CD1 3.96Å; Y683-F686 HydrophobicContact CD1-CE1 4.46Å; Y683-F686 HydrophobicContact CD1-CG 4.08Å; Y683-F686 WeakPolarHBondContact O-CB 3.31Å; Y683-F686 PolarHBondContact O-N 2.91Å; H684-F686 VanDerWaalsContact C-N 3.29Å; H684-F686 PolarHBondContact O-N 3.46Å; F686-V688 PolarHBondContact O-N 2.92Å; F686-L690 HydrophobicContact CE1-CB 3.69Å; F686-L690 HydrophobicContact CZ-CB 3.68Å
687	P	95.9	Very high	89.9	Confident	30 Å²	30	70.9 Å²	70.9	20%	0.195	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-68.3	125.4	179.6	-21.8	34.1	0	0	0	113	L676 R689 L690	L676-P687 HydrophobicContact CD2-CB 4.42Å; L676-P687 HydrophobicContact CD2-CG 4.26Å; P687-R689 PolarHBondContact O-N 3.18Å; P687-R689 VanDerWaalsContact O-N 3.11Å; P687-L690 HydrophobicContact CB-CD1 4.21Å; P687-L690 HydrophobicContact CB-CG 4.33Å; P687-L690 HydrophobicContact CG-CD1 4.12Å; P687-L690 PolarHBondContact O-N 2.71Å
688	V	95	Very high	88	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-54.7	-36.3	-177	173.8	0	0	0	0	112.2	F647 I654 F657 V658 Y675 F686 L690 F691	F647-V688 HydrophobicContact CB-CG2 4.04Å; F647-V688 HydrophobicContact CD2-CG2 3.83Å; F647-V688 HydrophobicContact CG-CG2 4.13Å; I654-V688 HydrophobicContact CG1-CG1 3.88Å; F657-V688 HydrophobicContact CD1-CG1 4.47Å; V658-V688 HydrophobicContact CG2-CG1 3.8Å; V658-V688 WeakPolarHBondContact CG2-O 3.3Å; Y675-V688 WeakPolarHBondContact O-CG2 3.31Å; Y675-V688 PolarHBondContact O-N 3.34Å; F686-V688 PolarHBondContact O-N 2.92Å; V688-L690 PolarHBondContact O-N 3.29Å; V688-L690 VanDerWaalsContact O-N 3.16Å; V688-F691 WeakPolarHBondContact O-CB 3.46Å; V688-F691 PolarHBondContact O-N 3.38Å
689	R	93.8	Very high	86.1	Confident	127 Å²	127	76.2 Å²	76.2	48%	0.479	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-58	-27.4	177.5	-176.6	176.7	-177.3	165.9	3	113.9	I661 L671 P687	I661-R689 HydrophobicContact CG2-CG 4.48Å; L671-R689 HydrophobicContact CD1-CB 4.44Å; L671-R689 HydrophobicContact CG-CB 4.42Å; P687-R689 PolarHBondContact O-N 3.18Å; P687-R689 VanDerWaalsContact O-N 3.11Å
690	L	92.9	Very high	84.5	Confident	115 Å²	115	77.2 Å²	77.2	60%	0.602	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-94.3	1.5	-176.1	-60.6	177.6	0	0	0	113.2	F686 P687 V688 D692	F686-L690 HydrophobicContact CE1-CB 3.69Å; F686-L690 HydrophobicContact CZ-CB 3.68Å; P687-L690 HydrophobicContact CB-CD1 4.21Å; P687-L690 HydrophobicContact CB-CG 4.33Å; P687-L690 HydrophobicContact CG-CD1 4.12Å; P687-L690 PolarHBondContact O-N 2.71Å; V688-L690 PolarHBondContact O-N 3.29Å; V688-L690 VanDerWaalsContact O-N 3.16Å; L690-D692 PolarHBondContact O-N 3.27Å
691	F	92.5	Very high	83	Confident	15 Å²	15	78.2 Å²	78.2	7%	0.066	43%	0.432	C	S	.	.			trans	-68.3	127.3	179.9	-177.5	-99.4	0	0	0	111.6	C649 I654 V658 Y683 V688 T693	C649-F691 HydrophobicContact CB-CD2 3.83Å; C649-F691 HydrophobicContact CB-CE2 3.92Å; C649-F691 WeakPolarHBondContact O-CE2 3.44Å; I654-F691 HydrophobicContact CG2-CD1 3.72Å; I654-F691 HydrophobicContact CG2-CE1 3.85Å; I654-F691 HydrophobicContact CG2-CG 4.22Å; I654-F691 HydrophobicContact CG2-CZ 4.45Å; V658-F691 HydrophobicContact CG2-CB 4.27Å; V658-F691 HydrophobicContact CG2-CD1 4.44Å; Y683-F691 HydrophobicContact CD2-CE2 4.24Å; Y683-F691 HydrophobicContact CE2-CD2 4.42Å; Y683-F691 AromaticContact CE2-CE2 3.88Å; Y683-F691 HydrophobicContact CE2-CE2 3.88Å; V688-F691 WeakPolarHBondContact O-CB 3.46Å; V688-F691 PolarHBondContact O-N 3.38Å; F691-T693 HydrophobicContact CD1-CG2 4.12Å; F691-T693 PolarHBondContact O-N 2.92Å
692	D	89.4	Confident	81.9	Confident	75 Å²	75	79.2 Å²	79.2	40%	0.401	43%	0.425	S	S	.	.			trans	-76.7	112.7	179.5	175.7	41	0	0	0	111.8	L690 S694 S695	L690-D692 PolarHBondContact O-N 3.27Å; D692-S694 WeakPolarHBondContact OD1-CB 3.38Å; D692-S694 PolarHBondContact OD1-N 3.41Å; D692-S694 PolarHBondContact OD1-OG 2.97Å; D692-S694 PolarHBondContact OD2-OG 2.68Å; D692-S695 PolarHBondContact OD2-N 2.88Å; D692-S695 PolarHBondContact OD2-OG 3.1Å
693	T	88	Confident	80.9	Confident	29 Å²	29	77.6 Å²	77.6	18%	0.178	42%	0.418	C	S	.	.			trans	-90	-3.2	173.5	67.2	0	0	0	0	114.1	A655 V658 N659 F691 C696	A655-T693 HydrophobicContact CB-CG2 3.99Å; V658-T693 HydrophobicContact CB-CG2 3.8Å; V658-T693 HydrophobicContact CG1-CG2 3.82Å; N659-T693 VanDerWaalsContact ND2-CB 3.33Å; N659-T693 WeakPolarHBondContact ND2-CB 3.25Å; N659-T693 PolarHBondContact ND2-OG1 2.94Å; F691-T693 HydrophobicContact CD1-CG2 4.12Å; F691-T693 PolarHBondContact O-N 2.92Å; T693-C696 WeakPolarHBondContact O-CB 3.42Å; T693-C696 PolarHBondContact O-N 2.65Å
694	S	82.6	Confident	80.3	Confident	75 Å²	75	79.6 Å²	79.6	52%	0.524	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-65.5	-43	179.5	79.8	0	0	0	0	111.2	D692 C696 K697	D692-S694 WeakPolarHBondContact OD1-CB 3.38Å; D692-S694 PolarHBondContact OD1-N 3.41Å; D692-S694 PolarHBondContact OD1-OG 2.97Å; D692-S694 PolarHBondContact OD2-OG 2.68Å; S694-C696 PolarHBondContact O-N 2.99Å; S694-C696 VanDerWaalsContact O-N 3.07Å; S694-K697 WeakPolarHBondContact O-CB 3.28Å; S694-K697 PolarHBondContact O-N 2.9Å
695	S	78.7	Confident	79.7	Confident	85 Å²	85	78.3 Å²	78.3	59%	0.594	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-59.5	-16.6	173.4	-57.3	0	0	0	0	114.2	D692	D692-S695 PolarHBondContact OD2-N 2.88Å; D692-S695 PolarHBondContact OD2-OG 3.1Å
696	C	76.3	Confident	79.4	Confident	26 Å²	26	81.9 Å²	81.9	18%	0.176	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-88.5	-4.6	177.5	-53.2	0	0	0	0	113.8	C651 A655 T693 S694	C651-C696 WeakPolarHBondContact CA-SG 3.43Å; C651-C696 HydrophobicContact CB-CB 3.59Å; C651-C696 WeakPolarHBondContact CB-SG 3.2Å; C651-C696 WeakPolarHBondContact SG-CA 3.36Å; C651-C696 WeakPolarHBondContact SG-CB 3.34Å; C651-C696 CovalentContact SG-SG 2.04Å; C651-C696 PolarHBondContact SG-SG 3.25Å; A655-C696 HydrophobicContact CB-CB 4.2Å; T693-C696 WeakPolarHBondContact O-CB 3.42Å; T693-C696 PolarHBondContact O-N 2.65Å; S694-C696 PolarHBondContact O-N 2.99Å; S694-C696 VanDerWaalsContact O-N 3.07Å
697	K	61.7	Low	79	Confident	165 Å²	165	83.8 Å²	83.8	72%	0.717	45%	0.445	S	S	*	.	S	Bend	trans	-87.8	-16.3	-168.8	-165.1	178.2	175.2	-171	0	114.1	S694 S699 P701	S694-K697 WeakPolarHBondContact O-CB 3.28Å; S694-K697 PolarHBondContact O-N 2.9Å; K697-S699 PolarHBondContact O-N 2.94Å; K697-P701 WeakPolarHBondContact O-CD 3.31Å
698	D	56.3	Low	78.7	Confident	114 Å²	114	86.1 Å²	86.1	61%	0.61	46%	0.455	S	S	*	.	S	Bend	trans	-80.7	-12.5	-168.4	-65	-32	0	0	0	114.5	F702	D698-F702 VanDerWaalsContact O-CB 3.23Å; D698-F702 WeakPolarHBondContact O-CB 3.46Å; D698-F702 PolarHBondContact O-N 3.01Å
699	S	55.6	Low	78.4	Confident	66 Å²	66	90.9 Å²	90.9	46%	0.462	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-54.1	179.4	52.3	0	0	0	0	113.4	K697 F702 E703	K697-S699 PolarHBondContact O-N 2.94Å; S699-F702 CarbonylContact O-C 3.49Å; S699-F702 WeakPolarHBondContact O-CA 3.5Å; S699-F702 WeakPolarHBondContact O-CB 3.49Å; S699-F702 PolarHBondContact O-N 3.41Å; S699-E703 PolarHBondContact O-N 3.46Å
700	A	59.1	Low	78.3	Confident	66 Å²	66	86.9 Å²	86.9	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-57.2	-45.1	-174.6	0	0	0	0	0	115.2
701	P	64.4	Low	78.3	Confident	67 Å²	67	84.1 Å²	84.1	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-70.7	-31.9	173.3	28.4	-34.2	0	0	0	112.1	K697 L705	K697-P701 WeakPolarHBondContact O-CD 3.31Å; P701-L705 WeakPolarHBondContact O-CB 3.41Å; P701-L705 WeakPolarHBondContact O-CD1 3.49Å; P701-L705 WeakPolarHBondContact O-CG 3.39Å; P701-L705 PolarHBondContact O-N 3.22Å
702	F	70.3	Confident	78.4	Confident	135 Å²	135	88.4 Å²	88.4	59%	0.592	48%	0.484	S	S	*	.	H	α-helix	trans	-67.2	-42.8	178.4	-177.7	-92.6	0	0	0	112.3	D698 S699 L704 L705 F706	D698-F702 VanDerWaalsContact O-CB 3.23Å; D698-F702 WeakPolarHBondContact O-CB 3.46Å; D698-F702 PolarHBondContact O-N 3.01Å; S699-F702 CarbonylContact O-C 3.49Å; S699-F702 WeakPolarHBondContact O-CA 3.5Å; S699-F702 WeakPolarHBondContact O-CB 3.49Å; S699-F702 PolarHBondContact O-N 3.41Å; F702-L704 PolarHBondContact O-N 3.35Å; F702-L705 PolarHBondContact O-N 3.39Å; F702-F706 HydrophobicContact CE1-CB 4.43Å; F702-F706 WeakPolarHBondContact O-CB 3.21Å; F702-F706 PolarHBondContact O-N 2.94Å
703	E	72.2	Confident	78.6	Confident	126 Å²	126	89.7 Å²	89.7	59%	0.589	49%	0.49	S	S	*	.	H	α-helix	trans	-58	-47.6	175.7	-74.9	175.2	-167.4	0	0	111.9	S699 F706 M707	S699-E703 PolarHBondContact O-N 3.46Å; E703-F706 PolarHBondContact O-N 3.4Å; E703-M707 WeakPolarHBondContact O-CG 3.42Å; E703-M707 PolarHBondContact O-N 2.81Å
704	L	79.3	Confident	78.9	Confident	115 Å²	115	93.9 Å²	93.9	60%	0.602	51%	0.511	S	S	*	.	H	α-helix	trans	-64.2	-44.3	178.2	-177.3	61.5	0	0	0	111.7	F702 F706 M707 I708	F702-L704 PolarHBondContact O-N 3.35Å; L704-F706 VanDerWaalsContact C-N 3.34Å; L704-F706 PolarHBondContact O-N 2.67Å; L704-M707 PolarHBondContact O-N 3.18Å; L704-I708 HydrophobicContact CD1-CD1 4.17Å; L704-I708 HydrophobicContact CG-CD1 4.01Å; L704-I708 WeakPolarHBondContact O-CD1 3.37Å; L704-I708 VanDerWaalsContact O-CG1 3.26Å; L704-I708 WeakPolarHBondContact O-CG1 3.27Å; L704-I708 PolarHBondContact O-N 2.93Å
705	L	83.3	Confident	79.4	Confident	98 Å²	98	95.5 Å²	95.5	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-37	176	-73.1	168.8	0	0	0	112.2	P701 F702 I708 N709	P701-L705 WeakPolarHBondContact O-CB 3.41Å; P701-L705 WeakPolarHBondContact O-CD1 3.49Å; P701-L705 WeakPolarHBondContact O-CG 3.39Å; P701-L705 PolarHBondContact O-N 3.22Å; F702-L705 PolarHBondContact O-N 3.39Å; L705-I708 PolarHBondContact O-N 2.93Å; L705-N709 VanDerWaalsContact O-CB 3.28Å; L705-N709 WeakPolarHBondContact O-CB 3.4Å; L705-N709 VanDerWaalsContact O-CG 3.25Å; L705-N709 PolarHBondContact O-N 3.28Å; L705-N709 PolarHBondContact O-ND2 3.13Å
706	F	85.6	Confident	80.1	Confident	115 Å²	115	97.9 Å²	97.9	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-47.2	175.6	175.9	-96.4	0	0	0	111.2	F702 E703 L704 I708 N709 T710	F702-F706 HydrophobicContact CE1-CB 4.43Å; F702-F706 WeakPolarHBondContact O-CB 3.21Å; F702-F706 PolarHBondContact O-N 2.94Å; E703-F706 PolarHBondContact O-N 3.4Å; L704-F706 VanDerWaalsContact C-N 3.34Å; L704-F706 PolarHBondContact O-N 2.67Å; F706-I708 VanDerWaalsContact C-N 3.33Å; F706-I708 PolarHBondContact O-N 3.47Å; F706-N709 PolarHBondContact O-N 3.18Å; F706-T710 HydrophobicContact CD1-CG2 4.36Å; F706-T710 HydrophobicContact CD2-CG2 4.09Å; F706-T710 HydrophobicContact CE1-CG2 4.02Å; F706-T710 HydrophobicContact CE2-CG2 3.73Å; F706-T710 HydrophobicContact CG-CG2 4.39Å; F706-T710 HydrophobicContact CZ-CG2 3.7Å; F706-T710 WeakPolarHBondContact O-CB 3.17Å; F706-T710 WeakPolarHBondContact O-CG2 3.27Å; F706-T710 PolarHBondContact O-N 2.91Å; F706-T710 PolarHBondContact O-OG1 2.71Å
707	M	85.6	Confident	80.9	Confident	115 Å²	115	100.3 Å²	100.3	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-39.7	176.6	-71.4	-65.1	-72.6	0	0	112.2	E703 L704 T710 S711	E703-M707 WeakPolarHBondContact O-CG 3.42Å; E703-M707 PolarHBondContact O-N 2.81Å; L704-M707 PolarHBondContact O-N 3.18Å; M707-T710 PolarHBondContact O-OG1 3.39Å; M707-S711 VanDerWaalsContact O-CB 3.28Å; M707-S711 WeakPolarHBondContact O-CB 3.44Å; M707-S711 PolarHBondContact O-N 3.48Å; M707-S711 VanDerWaalsContact O-N 3.16Å; M707-S711 PolarHBondContact O-OG 3.22Å
708	I	89.6	Confident	82.2	Confident	79 Å²	79	98.8 Å²	98.8	41%	0.405	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-52.2	175.5	-69.6	165.8	0	0	0	110.8	L704 L705 F706 T710 S711 I712	L704-I708 HydrophobicContact CD1-CD1 4.17Å; L704-I708 HydrophobicContact CG-CD1 4.01Å; L704-I708 WeakPolarHBondContact O-CD1 3.37Å; L704-I708 VanDerWaalsContact O-CG1 3.26Å; L704-I708 WeakPolarHBondContact O-CG1 3.27Å; L704-I708 PolarHBondContact O-N 2.93Å; L705-I708 PolarHBondContact O-N 2.93Å; F706-I708 VanDerWaalsContact C-N 3.33Å; F706-I708 PolarHBondContact O-N 3.47Å; I708-T710 PolarHBondContact O-N 3.21Å; I708-S711 PolarHBondContact O-N 2.76Å; I708-I712 HydrophobicContact CG2-CD1 3.72Å; I708-I712 WeakPolarHBondContact O-CG1 3.32Å; I708-I712 PolarHBondContact O-N 3.16Å
709	N	89.6	Confident	83.7	Confident	100 Å²	100	96.6 Å²	96.6	54%	0.535	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-40.3	-175.9	-74.9	-42.7	0	0	0	112.8	L705 F706 I712 L713	L705-N709 VanDerWaalsContact O-CB 3.28Å; L705-N709 WeakPolarHBondContact O-CB 3.4Å; L705-N709 VanDerWaalsContact O-CG 3.25Å; L705-N709 PolarHBondContact O-N 3.28Å; L705-N709 PolarHBondContact O-ND2 3.13Å; F706-N709 PolarHBondContact O-N 3.18Å; N709-I712 PolarHBondContact O-N 3.17Å; N709-L713 WeakPolarHBondContact O-CB 3.47Å; N709-L713 PolarHBondContact O-N 3.06Å
710	T	91.9	Very high	85.2	Confident	43 Å²	43	96.8 Å²	96.8	26%	0.264	51%	0.505	S	S	.	.	H	α-helix	trans	-66.2	-41.3	175.6	51.5	0	0	0	0	111.7	F706 M707 I708 L713 L714	F706-T710 HydrophobicContact CD1-CG2 4.36Å; F706-T710 HydrophobicContact CD2-CG2 4.09Å; F706-T710 HydrophobicContact CE1-CG2 4.02Å; F706-T710 HydrophobicContact CE2-CG2 3.73Å; F706-T710 HydrophobicContact CG-CG2 4.39Å; F706-T710 HydrophobicContact CZ-CG2 3.7Å; F706-T710 WeakPolarHBondContact O-CB 3.17Å; F706-T710 WeakPolarHBondContact O-CG2 3.27Å; F706-T710 PolarHBondContact O-N 2.91Å; F706-T710 PolarHBondContact O-OG1 2.71Å; M707-T710 PolarHBondContact O-OG1 3.39Å; I708-T710 PolarHBondContact O-N 3.21Å; T710-L713 PolarHBondContact O-N 3.07Å; T710-L714 WeakPolarHBondContact O-CB 3.38Å; T710-L714 VanDerWaalsContact O-CG 3.3Å; T710-L714 WeakPolarHBondContact O-CG 3.35Å; T710-L714 PolarHBondContact O-N 2.86Å
711	S	92.7	Very high	86.5	Confident	58 Å²	58	97.5 Å²	97.5	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-45.9	175.2	-61.3	0	0	0	0	112	M707 I708 L713 L714 I715	M707-S711 VanDerWaalsContact O-CB 3.28Å; M707-S711 WeakPolarHBondContact O-CB 3.44Å; M707-S711 PolarHBondContact O-N 3.48Å; M707-S711 VanDerWaalsContact O-N 3.16Å; M707-S711 PolarHBondContact O-OG 3.22Å; I708-S711 PolarHBondContact O-N 2.76Å; S711-L713 PolarHBondContact O-N 2.93Å; S711-L714 PolarHBondContact O-N 3Å; S711-I715 WeakPolarHBondContact O-CB 3.44Å; S711-I715 WeakPolarHBondContact O-CD1 3.49Å; S711-I715 VanDerWaalsContact O-CG1 3.25Å; S711-I715 WeakPolarHBondContact O-CG1 3.34Å; S711-I715 PolarHBondContact O-N 3.02Å
712	I	94.3	Very high	87.3	Confident	105 Å²	105	97.7 Å²	97.7	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-45.2	176.7	-68.6	166.4	0	0	0	111	I708 N709 I715 F716	I708-I712 HydrophobicContact CG2-CD1 3.72Å; I708-I712 WeakPolarHBondContact O-CG1 3.32Å; I708-I712 PolarHBondContact O-N 3.16Å; N709-I712 PolarHBondContact O-N 3.17Å; I712-I715 PolarHBondContact O-N 2.64Å; I712-F716 WeakPolarHBondContact O-CB 3.48Å; I712-F716 PolarHBondContact O-N 2.86Å
713	L	94.3	Very high	87.7	Confident	101 Å²	101	96.5 Å²	96.5	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-43.5	179.8	-177.8	62.6	0	0	0	112.2	N709 T710 S711 F716 I717	N709-L713 WeakPolarHBondContact O-CB 3.47Å; N709-L713 PolarHBondContact O-N 3.06Å; T710-L713 PolarHBondContact O-N 3.07Å; S711-L713 PolarHBondContact O-N 2.93Å; L713-F716 PolarHBondContact O-N 3.25Å; L713-I717 HydrophobicContact CD1-CD1 4.14Å; L713-I717 HydrophobicContact CD1-CG1 4.49Å; L713-I717 HydrophobicContact CG-CD1 3.98Å; L713-I717 VanDerWaalsContact O-CG1 3.3Å; L713-I717 WeakPolarHBondContact O-CG1 3.43Å; L713-I717 PolarHBondContact O-N 3.12Å
714	L	93.4	Very high	88	Confident	118 Å²	118	97.4 Å²	97.4	62%	0.618	50%	0.499	S	S	*	.	H	α-helix	trans	-65.1	-42.1	177.6	-71.6	170.8	0	0	0	111.9	T710 S711 I717 F718	T710-L714 WeakPolarHBondContact O-CB 3.38Å; T710-L714 VanDerWaalsContact O-CG 3.3Å; T710-L714 WeakPolarHBondContact O-CG 3.35Å; T710-L714 PolarHBondContact O-N 2.86Å; S711-L714 PolarHBondContact O-N 3Å; L714-I717 PolarHBondContact O-N 3.33Å; L714-F718 WeakPolarHBondContact O-CB 3.24Å; L714-F718 PolarHBondContact O-N 2.83Å
715	I	93.4	Very high	87.7	Confident	109 Å²	109	99.1 Å²	99.1	56%	0.559	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-44.9	174.6	-69.3	165.1	0	0	0	110.6	S711 I712 F718 V719	S711-I715 WeakPolarHBondContact O-CB 3.44Å; S711-I715 WeakPolarHBondContact O-CD1 3.49Å; S711-I715 VanDerWaalsContact O-CG1 3.25Å; S711-I715 WeakPolarHBondContact O-CG1 3.34Å; S711-I715 PolarHBondContact O-N 3.02Å; I712-I715 PolarHBondContact O-N 2.64Å; I715-F718 PolarHBondContact O-N 3.13Å; I715-V719 HydrophobicContact CG2-CG2 4.43Å; I715-V719 WeakPolarHBondContact O-CG2 3.5Å; I715-V719 PolarHBondContact O-N 3.34Å
716	F	93.4	Very high	87.3	Confident	134 Å²	134	97.9 Å²	97.9	59%	0.588	49%	0.493	S	S	*	.	H	α-helix	trans	-60.9	-47.4	178.1	179.8	-100.6	0	0	0	112.1	I712 L713 F718 V719 V720	I712-F716 WeakPolarHBondContact O-CB 3.48Å; I712-F716 PolarHBondContact O-N 2.86Å; L713-F716 PolarHBondContact O-N 3.25Å; F716-F718 PolarHBondContact O-N 2.64Å; F716-V719 PolarHBondContact O-N 3.03Å; F716-V720 HydrophobicContact CD1-CG2 4.41Å; F716-V720 HydrophobicContact CE1-CG2 4.03Å; F716-V720 HydrophobicContact CE2-CG2 4.18Å; F716-V720 HydrophobicContact CZ-CG2 3.9Å; F716-V720 WeakPolarHBondContact O-CG2 3.4Å; F716-V720 PolarHBondContact O-N 3.28Å
717	I	92.5	Very high	86.6	Confident	77 Å²	77	93.4 Å²	93.4	40%	0.395	48%	0.48	S	S	.	.	H	α-helix	trans	-59.3	-46.3	176	-69.5	166.2	0	0	0	110.6	L713 L714 V719 V720 L721	L713-I717 HydrophobicContact CD1-CD1 4.14Å; L713-I717 HydrophobicContact CD1-CG1 4.49Å; L713-I717 HydrophobicContact CG-CD1 3.98Å; L713-I717 VanDerWaalsContact O-CG1 3.3Å; L713-I717 WeakPolarHBondContact O-CG1 3.43Å; L713-I717 PolarHBondContact O-N 3.12Å; L714-I717 PolarHBondContact O-N 3.33Å; I717-V719 PolarHBondContact O-N 3.23Å; I717-V720 PolarHBondContact O-N 3.48Å; I717-L721 HydrophobicContact CG2-CD1 3.71Å; I717-L721 HydrophobicContact CG2-CG 4.32Å; I717-L721 WeakPolarHBondContact O-CB 3.48Å; I717-L721 VanDerWaalsContact O-CG 3.25Å; I717-L721 WeakPolarHBondContact O-CG 3.47Å; I717-L721 PolarHBondContact O-N 3.09Å
718	F	90.6	Very high	85.4	Confident	134 Å²	134	97.5 Å²	97.5	59%	0.588	49%	0.489	S	S	*	.	H	α-helix	trans	-61.5	-43.3	179.4	-178.6	-109.9	0	0	0	112.8	L714 I715 F716 L721 L722	L714-F718 WeakPolarHBondContact O-CB 3.24Å; L714-F718 PolarHBondContact O-N 2.83Å; I715-F718 PolarHBondContact O-N 3.13Å; F716-F718 PolarHBondContact O-N 2.64Å; F718-L721 PolarHBondContact O-N 3.23Å; F718-L722 HydrophobicContact CD1-CD1 3.91Å; F718-L722 HydrophobicContact CE1-CD1 3.42Å; F718-L722 VanDerWaalsContact CE1-CD1 3.42Å; F718-L722 HydrophobicContact CE1-CG 4.34Å; F718-L722 HydrophobicContact CE2-CD1 4.39Å; F718-L722 HydrophobicContact CE2-CG 4.5Å; F718-L722 HydrophobicContact CZ-CD1 3.7Å; F718-L722 HydrophobicContact CZ-CG 4.23Å; F718-L722 WeakPolarHBondContact O-CB 3.36Å; F718-L722 PolarHBondContact O-N 3.47Å
719	V	86.6	Confident	84.1	Confident	67 Å²	67	99.9 Å²	99.9	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-43.3	176.2	169.8	0	0	0	0	111.5	I715 F716 I717 L722 I723	I715-V719 HydrophobicContact CG2-CG2 4.43Å; I715-V719 WeakPolarHBondContact O-CG2 3.5Å; I715-V719 PolarHBondContact O-N 3.34Å; F716-V719 PolarHBondContact O-N 3.03Å; I717-V719 PolarHBondContact O-N 3.23Å; V719-L722 PolarHBondContact O-N 2.94Å; V719-I723 HydrophobicContact CG1-CD1 3.83Å; V719-I723 VanDerWaalsContact O-CG1 3.31Å; V719-I723 WeakPolarHBondContact O-CG1 3.47Å; V719-I723 PolarHBondContact O-N 2.89Å
720	V	87.7	Confident	83.1	Confident	70 Å²	70	99.5 Å²	99.5	42%	0.424	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177	170.5	0	0	0	0	111.4	F716 I717 I723 H724	F716-V720 HydrophobicContact CD1-CG2 4.41Å; F716-V720 HydrophobicContact CE1-CG2 4.03Å; F716-V720 HydrophobicContact CE2-CG2 4.18Å; F716-V720 HydrophobicContact CZ-CG2 3.9Å; F716-V720 WeakPolarHBondContact O-CG2 3.4Å; F716-V720 PolarHBondContact O-N 3.28Å; I717-V720 PolarHBondContact O-N 3.48Å; V720-I723 PolarHBondContact O-N 3.26Å; V720-H724 WeakPolarHBondContact O-CB 3.41Å; V720-H724 PolarHBondContact O-N 3.45Å
721	L	84.9	Confident	81.8	Confident	82 Å²	82	100.5 Å²	100.5	43%	0.429	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-41	177	-68.1	170.3	0	0	0	112.2	I717 F718 H724 F725	I717-L721 HydrophobicContact CG2-CD1 3.71Å; I717-L721 HydrophobicContact CG2-CG 4.32Å; I717-L721 WeakPolarHBondContact O-CB 3.48Å; I717-L721 VanDerWaalsContact O-CG 3.25Å; I717-L721 WeakPolarHBondContact O-CG 3.47Å; I717-L721 PolarHBondContact O-N 3.09Å; F718-L721 PolarHBondContact O-N 3.23Å; L721-H724 PolarHBondContact O-N 2.91Å; L721-F725 HydrophobicContact CD2-CD2 4.49Å; L721-F725 HydrophobicContact CD2-CE2 4.01Å; L721-F725 WeakPolarHBondContact O-CD2 3.41Å; L721-F725 PolarHBondContact O-N 3.5Å
722	L	81.9	Confident	80.4	Confident	71 Å²	71	102.5 Å²	102.5	37%	0.372	50%	0.5	S	S	.	.	H	α-helix	trans	-59.2	-46.2	173.2	-87.6	172	0	0	0	112	F718 V719 H724 E726 G727	F718-L722 HydrophobicContact CD1-CD1 3.91Å; F718-L722 HydrophobicContact CE1-CD1 3.42Å; F718-L722 VanDerWaalsContact CE1-CD1 3.42Å; F718-L722 HydrophobicContact CE1-CG 4.34Å; F718-L722 HydrophobicContact CE2-CD1 4.39Å; F718-L722 HydrophobicContact CE2-CG 4.5Å; F718-L722 HydrophobicContact CZ-CD1 3.7Å; F718-L722 HydrophobicContact CZ-CG 4.23Å; F718-L722 WeakPolarHBondContact O-CB 3.36Å; F718-L722 PolarHBondContact O-N 3.47Å; V719-L722 PolarHBondContact O-N 2.94Å; L722-H724 VanDerWaalsContact C-N 3.31Å; L722-H724 PolarHBondContact O-N 3.29Å; L722-E726 WeakPolarHBondContact O-CA 3.25Å; L722-E726 WeakPolarHBondContact O-CB 3.31Å; L722-E726 PolarHBondContact O-N 3.32Å; L722-G727 PolarHBondContact O-N 2.74Å
723	I	78.9	Confident	79.2	Confident	110 Å²	110	104.5 Å²	104.5	56%	0.564	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-37.1	177.5	-68	167.3	0	0	0	110.9	V719 V720 G727	V719-I723 HydrophobicContact CG1-CD1 3.83Å; V719-I723 VanDerWaalsContact O-CG1 3.31Å; V719-I723 WeakPolarHBondContact O-CG1 3.47Å; V719-I723 PolarHBondContact O-N 2.89Å; V720-I723 PolarHBondContact O-N 3.26Å; I723-G727 WeakPolarHBondContact O-CA 3.38Å; I723-G727 PolarHBondContact O-N 3.16Å
724	H	79.3	Confident	78.2	Confident	144 Å²	144	108.2 Å²	108.2	67%	0.667	51%	0.509	S	S	*	.	H	α-helix	trans	-70.7	-48.4	179.5	-173	73.1	0	0	0	113.4	V720 L721 L722	V720-H724 WeakPolarHBondContact O-CB 3.41Å; V720-H724 PolarHBondContact O-N 3.45Å; L721-H724 PolarHBondContact O-N 2.91Å; L722-H724 VanDerWaalsContact C-N 3.31Å; L722-H724 PolarHBondContact O-N 3.29Å
725	F	72.3	Confident	76.8	Confident	152 Å²	152	106.5 Å²	106.5	67%	0.667	50%	0.5	S	S	*	.	H	α-helix	trans	-87.2	-40.6	-173.8	-73.5	-69.7	0	0	0	113.8	L721	L721-F725 HydrophobicContact CD2-CD2 4.49Å; L721-F725 HydrophobicContact CD2-CE2 4.01Å; L721-F725 WeakPolarHBondContact O-CD2 3.41Å; L721-F725 PolarHBondContact O-N 3.5Å
726	E	74.9	Confident	75.4	Confident	72 Å²	72	103.7 Å²	103.7	34%	0.336	49%	0.488	S	S	.	.	H	α-helix	trans	-106.6	-1.2	-175.1	-67.1	-70.5	145.7	0	0	112.7	L722 W728 R729 I730	L722-E726 WeakPolarHBondContact O-CA 3.25Å; L722-E726 WeakPolarHBondContact O-CB 3.31Å; L722-E726 PolarHBondContact O-N 3.32Å; E726-W728 VanDerWaalsContact C-N 3.25Å; E726-W728 PolarHBondContact O-N 2.88Å; E726-W728 VanDerWaalsContact O-N 3.1Å; E726-R729 VanDerWaalsContact CD-NH1 3.26Å; E726-R729 CarbonylContact O-C 2.82Å; E726-R729 WeakPolarHBondContact O-CA 3.29Å; E726-R729 WeakPolarHBondContact O-CB 3.28Å; E726-R729 PolarHBondContact O-N 3.47Å; E726-R729 IonicContact OE1-NH1 3.59Å; E726-R729 PolarHBondContact OE1-NH1 3.49Å; E726-R729 WeakPolarHBondContact OE2-CD 3.43Å; E726-R729 IonicContact OE2-CZ 3.88Å; E726-R729 IonicContact OE2-NE 3.41Å; E726-R729 IonicContact OE2-NH1 2.68Å; E726-R729 PolarHBondContact OE2-NH1 2.84Å; E726-I730 HydrophobicContact CB-CD1 4.35Å; E726-I730 WeakPolarHBondContact O-CG1 3.42Å; E726-I730 PolarHBondContact O-N 3.27Å
727	G	69.9	Low	74	Confident	21 Å²	21	100.5 Å²	100.5	22%	0.216	48%	0.482	C	S	.	.	H	α-helix	trans	-53.6	-33.9	-176.9	0	0	0	0	0	115.3	L722 I723 I730 S731	L722-G727 PolarHBondContact O-N 2.74Å; I723-G727 WeakPolarHBondContact O-CA 3.38Å; I723-G727 PolarHBondContact O-N 3.16Å; G727-I730 PolarHBondContact O-N 2.91Å; G727-S731 VanDerWaalsContact O-CB 3.29Å; G727-S731 WeakPolarHBondContact O-CB 3Å; G727-S731 PolarHBondContact O-N 2.86Å
728	W	61.7	Low	72.9	Confident	201 Å²	201	99.5 Å²	99.5	76%	0.761	48%	0.48	S	S	*	.	H	α-helix	trans	-67.7	-39.7	173.7	-179.5	70.5	0	0	0	112.5	E726 F732	E726-W728 VanDerWaalsContact C-N 3.25Å; E726-W728 PolarHBondContact O-N 2.88Å; E726-W728 VanDerWaalsContact O-N 3.1Å; W728-F732 VanDerWaalsContact O-CB 3.28Å; W728-F732 WeakPolarHBondContact O-CB 3.22Å; W728-F732 PolarHBondContact O-N 2.88Å
729	R	62.2	Low	71.5	Confident	128 Å²	128	98.4 Å²	98.4	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-70.9	-37.8	173.8	-86.1	165.7	164.3	176.8	-2.9	112	E726 S731 F732 Y733	E726-R729 VanDerWaalsContact CD-NH1 3.26Å; E726-R729 CarbonylContact O-C 2.82Å; E726-R729 WeakPolarHBondContact O-CA 3.29Å; E726-R729 WeakPolarHBondContact O-CB 3.28Å; E726-R729 PolarHBondContact O-N 3.47Å; E726-R729 IonicContact OE1-NH1 3.59Å; E726-R729 PolarHBondContact OE1-NH1 3.49Å; E726-R729 WeakPolarHBondContact OE2-CD 3.43Å; E726-R729 IonicContact OE2-CZ 3.88Å; E726-R729 IonicContact OE2-NE 3.41Å; E726-R729 IonicContact OE2-NH1 2.68Å; E726-R729 PolarHBondContact OE2-NH1 2.84Å; R729-S731 VanDerWaalsContact C-N 3.34Å; R729-F732 PolarHBondContact O-N 3.1Å; R729-Y733 HydrophobicContact CB-CD2 4.41Å; R729-Y733 HydrophobicContact CB-CE2 4.47Å; R729-Y733 WeakPolarHBondContact O-CB 3.42Å; R729-Y733 WeakPolarHBondContact O-CD2 3.47Å; R729-Y733 PolarHBondContact O-N 2.9Å
730	I	67.6	Low	70.1	Confident	93 Å²	93	105 Å²	105	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-60.5	-47	173.8	-64.8	167.5	0	0	0	109.6	E726 G727 Y733 W734	E726-I730 HydrophobicContact CB-CD1 4.35Å; E726-I730 WeakPolarHBondContact O-CG1 3.42Å; E726-I730 PolarHBondContact O-N 3.27Å; G727-I730 PolarHBondContact O-N 2.91Å; I730-Y733 PolarHBondContact O-N 3.49Å; I730-W734 VanDerWaalsContact O-CB 3.22Å; I730-W734 WeakPolarHBondContact O-CB 3.47Å; I730-W734 PolarHBondContact O-N 3.23Å
731	S	64.8	Low	68.9	Low	63 Å²	63	107.8 Å²	107.8	44%	0.441	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-40.7	174	-175.2	0	0	0	0	112.8	G727 R729 W734 N735	G727-S731 VanDerWaalsContact O-CB 3.29Å; G727-S731 WeakPolarHBondContact O-CB 3Å; G727-S731 PolarHBondContact O-N 2.86Å; R729-S731 VanDerWaalsContact C-N 3.34Å; S731-W734 PolarHBondContact O-N 3.2Å; S731-N735 WeakPolarHBondContact O-CB 3.35Å; S731-N735 PolarHBondContact O-N 2.93Å
732	F	63.3	Low	67.7	Low	100 Å²	100	109.4 Å²	109.4	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-50.3	175.5	178.2	-97.3	0	0	0	112.2	W728 R729 W734 N735 V736	W728-F732 VanDerWaalsContact O-CB 3.28Å; W728-F732 WeakPolarHBondContact O-CB 3.22Å; W728-F732 PolarHBondContact O-N 2.88Å; R729-F732 PolarHBondContact O-N 3.1Å; F732-W734 VanDerWaalsContact C-N 3.34Å; F732-W734 PolarHBondContact O-N 3.26Å; F732-N735 PolarHBondContact O-N 3.46Å; F732-V736 HydrophobicContact CD1-CG2 4.19Å; F732-V736 HydrophobicContact CD2-CG2 4.47Å; F732-V736 HydrophobicContact CE1-CG2 3.84Å; F732-V736 HydrophobicContact CE2-CG2 4.15Å; F732-V736 HydrophobicContact CG-CG2 4.49Å; F732-V736 HydrophobicContact CZ-CG2 3.82Å; F732-V736 WeakPolarHBondContact O-CB 3.38Å; F732-V736 VanDerWaalsContact O-CG2 3.3Å; F732-V736 WeakPolarHBondContact O-CG2 3.29Å; F732-V736 PolarHBondContact O-N 3.5Å
733	Y	69.8	Low	66.4	Low	147 Å²	147	108.9 Å²	108.9	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-67.9	-32.3	177.9	-76	-62.5	0	0	0	112.7	R729 I730 S737	R729-Y733 HydrophobicContact CB-CD2 4.41Å; R729-Y733 HydrophobicContact CB-CE2 4.47Å; R729-Y733 WeakPolarHBondContact O-CB 3.42Å; R729-Y733 WeakPolarHBondContact O-CD2 3.47Å; R729-Y733 PolarHBondContact O-N 2.9Å; I730-Y733 PolarHBondContact O-N 3.49Å; Y733-S737 VanDerWaalsContact O-CB 3.29Å; Y733-S737 WeakPolarHBondContact O-CB 3.3Å; Y733-S737 PolarHBondContact O-N 3.19Å; Y733-S737 PolarHBondContact O-OG 3.41Å
734	W	72.6	Confident	64.8	Low	179 Å²	179	111.9 Å²	111.9	68%	0.678	54%	0.54	S	S	*	.	H	α-helix	trans	-60.8	-53	169.4	-178.8	-99.4	0	0	0	110.9	I730 S731 F732 V736 S737 V738	I730-W734 VanDerWaalsContact O-CB 3.22Å; I730-W734 WeakPolarHBondContact O-CB 3.47Å; I730-W734 PolarHBondContact O-N 3.23Å; S731-W734 PolarHBondContact O-N 3.2Å; F732-W734 VanDerWaalsContact C-N 3.34Å; F732-W734 PolarHBondContact O-N 3.26Å; W734-V736 PolarHBondContact O-N 2.87Å; W734-S737 WeakPolarHBondContact O-CB 3.42Å; W734-S737 PolarHBondContact O-N 3.26Å; W734-S737 VanDerWaalsContact O-N 3.16Å; W734-V738 WeakPolarHBondContact O-CG2 3.49Å; W734-V738 PolarHBondContact O-N 3.37Å
735	N	64.3	Low	63	Low	82 Å²	82	116.4 Å²	116.4	44%	0.439	55%	0.551	S	S	.	*	H	α-helix	trans	-61.3	-43.2	176.8	-76.7	-13.4	0	0	0	112.4	S731 F732 S737 V738 H739	S731-N735 WeakPolarHBondContact O-CB 3.35Å; S731-N735 PolarHBondContact O-N 2.93Å; F732-N735 PolarHBondContact O-N 3.46Å; N735-S737 VanDerWaalsContact C-N 3.28Å; N735-S737 PolarHBondContact O-N 3.34Å; N735-V738 PolarHBondContact O-N 2.92Å; N735-H739 WeakPolarHBondContact O-CB 3.18Å; N735-H739 PolarHBondContact O-CD2 2.97Å; N735-H739 VanDerWaalsContact O-CD2 3.23Å; N735-H739 PolarHBondContact O-N 3.24Å
736	V	64.3	Low	61.5	Low	51 Å²	51	118.4 Å²	118.4	31%	0.309	56%	0.563	S	S	.	*	H	α-helix	trans	-61.6	-37.1	175.7	167.3	0	0	0	0	111.5	F732 W734 R740	F732-V736 HydrophobicContact CD1-CG2 4.19Å; F732-V736 HydrophobicContact CD2-CG2 4.47Å; F732-V736 HydrophobicContact CE1-CG2 3.84Å; F732-V736 HydrophobicContact CE2-CG2 4.15Å; F732-V736 HydrophobicContact CG-CG2 4.49Å; F732-V736 HydrophobicContact CZ-CG2 3.82Å; F732-V736 WeakPolarHBondContact O-CB 3.38Å; F732-V736 VanDerWaalsContact O-CG2 3.3Å; F732-V736 WeakPolarHBondContact O-CG2 3.29Å; F732-V736 PolarHBondContact O-N 3.5Å; W734-V736 PolarHBondContact O-N 2.87Å; V736-R740 WeakPolarHBondContact O-CB 3.44Å; V736-R740 PolarHBondContact O-N 3.48Å
737	S	63.7	Low	59.8	Low	66 Å²	66	122.8 Å²	122.8	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-67.9	-45.3	175.3	-58.2	0	0	0	0	111.5	Y733 W734 N735 R740 V741	Y733-S737 VanDerWaalsContact O-CB 3.29Å; Y733-S737 WeakPolarHBondContact O-CB 3.3Å; Y733-S737 PolarHBondContact O-N 3.19Å; Y733-S737 PolarHBondContact O-OG 3.41Å; W734-S737 WeakPolarHBondContact O-CB 3.42Å; W734-S737 PolarHBondContact O-N 3.26Å; W734-S737 VanDerWaalsContact O-N 3.16Å; N735-S737 VanDerWaalsContact C-N 3.28Å; N735-S737 PolarHBondContact O-N 3.34Å; S737-R740 PolarHBondContact O-N 3.33Å; S737-V741 WeakPolarHBondContact O-CG2 3.42Å; S737-V741 PolarHBondContact O-N 3.23Å
738	V	69.8	Low	58.3	Low	56 Å²	56	129.3 Å²	129.3	34%	0.339	62%	0.617	S	S	.	*	H	α-helix	trans	-61.1	-45.3	174.8	170.7	0	0	0	0	111.3	W734 N735 R740 V741 L742	W734-V738 WeakPolarHBondContact O-CG2 3.49Å; W734-V738 PolarHBondContact O-N 3.37Å; N735-V738 PolarHBondContact O-N 2.92Å; V738-R740 PolarHBondContact O-N 2.94Å; V738-V741 PolarHBondContact O-N 2.78Å; V738-L742 HydrophobicContact CG1-CD1 3.84Å; V738-L742 WeakPolarHBondContact O-CB 3.43Å; V738-L742 VanDerWaalsContact O-CG 3.31Å; V738-L742 WeakPolarHBondContact O-CG 2.85Å; V738-L742 PolarHBondContact O-N 3.38Å
739	H	61.1	Low	57.3	Low	112 Å²	112	129.2 Å²	129.2	52%	0.519	62%	0.616	S	S	.	*	H	α-helix	trans	-66.3	-34.1	177.3	-85.8	-87.7	0	0	0	113.1	N735 L742 G743	N735-H739 WeakPolarHBondContact O-CB 3.18Å; N735-H739 PolarHBondContact O-CD2 2.97Å; N735-H739 VanDerWaalsContact O-CD2 3.23Å; N735-H739 PolarHBondContact O-N 3.24Å; H739-L742 PolarHBondContact O-N 2.91Å; H739-G743 PolarHBondContact O-N 2.8Å
740	R	57.7	Low	56.2	Low	205 Å²	205	131.8 Å²	131.8	77%	0.774	63%	0.634	S	S	*	*	H	α-helix	trans	-66.1	-41.9	170.4	-86.1	-176.1	170.1	173.5	-1.7	112.3	V736 S737 V738 L742 G743	V736-R740 WeakPolarHBondContact O-CB 3.44Å; V736-R740 PolarHBondContact O-N 3.48Å; S737-R740 PolarHBondContact O-N 3.33Å; V738-R740 PolarHBondContact O-N 2.94Å; R740-L742 PolarHBondContact O-N 2.8Å; R740-G743 PolarHBondContact O-N 2.83Å
741	V	61.6	Low	55.1	Low	129 Å²	129	134.1 Å²	134.1	78%	0.782	65%	0.652	S	S	*	*	H	α-helix	trans	-65.7	-28.9	175.1	170.9	0	0	0	0	111.7	S737 V738 G743	S737-V741 WeakPolarHBondContact O-CG2 3.42Å; S737-V741 PolarHBondContact O-N 3.23Å; V738-V741 PolarHBondContact O-N 2.78Å; V741-G743 VanDerWaalsContact C-N 3.32Å; V741-G743 PolarHBondContact O-N 2.88Å
742	L	61	Low	54.5	Low	116 Å²	116	136 Å²	136	61%	0.607	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	4	174.8	-68.5	170.5	0	0	0	114.8	V738 H739 R740 F744	V738-L742 HydrophobicContact CG1-CD1 3.84Å; V738-L742 WeakPolarHBondContact O-CB 3.43Å; V738-L742 VanDerWaalsContact O-CG 3.31Å; V738-L742 WeakPolarHBondContact O-CG 2.85Å; V738-L742 PolarHBondContact O-N 3.38Å; H739-L742 PolarHBondContact O-N 2.91Å; R740-L742 PolarHBondContact O-N 2.8Å; L742-F744 PolarHBondContact O-N 2.69Å
743	G	52.6	Low	54.2	Low	59 Å²	59	140.6 Å²	140.6	61%	0.608	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.4	15.9	155.8	0	0	0	0	0	118.3	H739 R740 V741 R745	H739-G743 PolarHBondContact O-N 2.8Å; R740-G743 PolarHBondContact O-N 2.83Å; V741-G743 VanDerWaalsContact C-N 3.32Å; V741-G743 PolarHBondContact O-N 2.88Å; G743-R745 PolarHBondContact O-N 3.22Å
744	F	47	Very low	54.3	Low	173 Å²	173	137 Å²	137	76%	0.759	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-70.7	126.5	171.5	-71	-87.6	0	0	0	111.1	L742	L742-F744 PolarHBondContact O-N 2.69Å
745	R	40.8	Very low	54.5	Low	239 Å²	239	132.4 Å²	132.4	90%	0.902	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-99.3	142.6	175.5	-94.1	-179.4	161.1	177.2	-7.1	111.4	G743	G743-R745 PolarHBondContact O-N 3.22Å
746	E	40.8	Very low	55.4	Low	195 Å²	195	129.3 Å²	129.3	91%	0.911	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-69.5	153	169.3	-66.6	166.2	124	0	0	110.7
747	I	39	Very low	56.3	Low	164 Å²	164	127.1 Å²	127.1	84%	0.841	62%	0.62	S	S	*	*			trans	-106.4	133.3	175.3	-63.5	175	0	0	0	107.9
748	D	38.5	Very low	57.4	Low	158 Å²	158	124 Å²	124	85%	0.845	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-61.6	137.8	-175.7	-74.3	-61.1	0	0	0	113.5	Q750	D748-Q750 PolarHBondContact O-N 3.46Å
749	R	41.3	Very low	58.4	Low	198 Å²	198	121.3 Å²	121.3	75%	0.747	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-67.4	124.7	173	-80.3	177.2	167.8	165	-4.7	111	E841	R749-E841 PolarHBondContact NH2-O 3.06Å
750	Q	38.8	Very low	59.8	Low	183 Å²	183	116 Å²	116	86%	0.855	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-80.9	155.3	158.2	-70.7	-168.5	-12.8	0	0	111.2	D748 E752	D748-Q750 PolarHBondContact O-N 3.46Å; Q750-E752 PolarHBondContact O-N 3.06Å
751	T	44.7	Very low	61.3	Low	141 Å²	141	106.2 Å²	106.2	87%	0.865	52%	0.521	S	S	*	.			trans	-80.3	100.5	178.4	46	0	0	0	0	111.5	Q753	T751-Q753 PolarHBondContact O-N 3.41Å
752	E	51.8	Low	62.7	Low	102 Å²	102	100.3 Å²	100.3	48%	0.477	48%	0.484	S	S	.	.			trans	-68.9	126.2	174.7	-65.5	179.7	143	0	0	111.7	Q750 F754 Q842	Q750-E752 PolarHBondContact O-N 3.06Å; E752-F754 HydrophobicContact CB-CE1 4.27Å; E752-F754 HydrophobicContact CB-CE2 4.49Å; E752-F754 HydrophobicContact CB-CZ 4.15Å; E752-Q842 PolarHBondContact OE2-NE2 2.97Å
753	Q	57.5	Low	64.1	Low	198 Å²	198	95.1 Å²	95.1	93%	0.925	46%	0.458	S	S	*	.			trans	-85.6	106.1	161.7	-74.7	-175.7	-24.9	0	0	108.4	T751	T751-Q753 PolarHBondContact O-N 3.41Å
754	F	71.9	Confident	65.6	Low	70 Å²	70	100 Å²	100	31%	0.307	47%	0.465	S	S	.	.			trans	-71.1	130.6	176.4	-60	-74.2	0	0	0	111.2	E752 R809 S810 R811	E752-F754 HydrophobicContact CB-CE1 4.27Å; E752-F754 HydrophobicContact CB-CE2 4.49Å; E752-F754 HydrophobicContact CB-CZ 4.15Å; F754-R809 CarbonylContact C-O 3.41Å; F754-S810 VanDerWaalsContact CD1-C 3.43Å; F754-R811 HydrophobicContact CB-CB 3.97Å; F754-R811 HydrophobicContact CD1-CB 4.42Å; F754-R811 HydrophobicContact CD2-CB 3.79Å; F754-R811 HydrophobicContact CD2-CG 3.81Å; F754-R811 HydrophobicContact CE2-CB 4.41Å; F754-R811 HydrophobicContact CE2-CG 4.13Å; F754-R811 HydrophobicContact CG-CB 3.79Å; F754-R811 HydrophobicContact CG-CG 4.34Å
755	E	77.2	Confident	67.4	Low	83 Å²	83	99.1 Å²	99.1	39%	0.388	46%	0.461	S	S	.	.	S	Bend	trans	-77.2	-27.2	177.1	-160.2	-158.1	139.5	0	0	111.6	K785 R809	E755-K785 IonicContact OE1-NZ 2.84Å; E755-K785 PolarHBondContact OE1-NZ 2.75Å; E755-R809 HydrophobicContact CB-CB 4.2Å; E755-R809 PolarHBondContact N-O 2.69Å; E755-R809 WeakPolarHBondContact OE2-CD 3.34Å; E755-R809 IonicContact OE2-CZ 2.74Å; E755-R809 IonicContact OE2-NE 3.98Å; E755-R809 IonicContact OE2-NH1 3.78Å; E755-R809 PolarHBondContact OE2-NH1 3.31Å
756	Y	81.8	Confident	69.7	Low	18 Å²	18	88.5 Å²	88.5	7%	0.071	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-124.6	143.9	-176.6	-61	-89.1	0	0	0	112.2	K785 F786 C787 D792 R809 S810 R811	Y756-K785 CarbonylContact C-O 3.58Å; Y756-K785 WeakPolarHBondContact CA-O 3.25Å; Y756-K785 HydrophobicContact CD1-CB 4.48Å; Y756-K785 HydrophobicContact CD1-CD 3.74Å; Y756-K785 HydrophobicContact CD1-CG 3.84Å; Y756-K785 HydrophobicContact CE1-CD 3.67Å; Y756-K785 HydrophobicContact CE1-CG 4.02Å; Y756-K785 VanDerWaalsContact CZ-NZ 3.31Å; Y756-K785 PolarHBondContact OH-NZ 3.38Å; Y756-K785 VanDerWaalsContact OH-NZ 3.09Å; Y756-F786 VanDerWaalsContact CD1-C 3.41Å; Y756-F786 WeakPolarHBondContact CD1-O 3.37Å; Y756-C787 HydrophobicContact CD1-CB 3.61Å; Y756-C787 HydrophobicContact CD2-CB 4.09Å; Y756-C787 HydrophobicContact CE1-CB 3.88Å; Y756-C787 HydrophobicContact CE2-CB 4.39Å; Y756-C787 HydrophobicContact CG-CB 3.72Å; Y756-D792 HydrophobicContact CE1-CB 4.39Å; Y756-R809 HydrophobicContact CD2-CB 4.12Å; Y756-R809 HydrophobicContact CE2-CB 4.48Å; Y756-R809 PolarHBondContact N-O 2.7Å; Y756-S810 WeakPolarHBondContact O-CA 3.15Å; Y756-R811 PolarHBondContact O-N 3.08Å
757	A	83.5	Confident	71.8	Confident	5 Å²	5	82.3 Å²	82.3	4%	0.041	39%	0.392	C	S	.	.	S	Bend	trans	-68.2	-38.9	174.5	0	0	0	0	0	111.8	L784 K785 K812	A757-L784 HydrophobicContact CB-CD2 3.94Å; A757-K785 PolarHBondContact N-O 3Å; A757-K812 PolarHBondContact O-N 2.73Å
758	A	86.8	Confident	74.1	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	153.9	166.1	0	0	0	0	0	112.8	F786 C787 K812 I814 L897	A758-F786 HydrophobicContact CB-CD1 4.01Å; A758-F786 HydrophobicContact CB-CE1 4.17Å; A758-F786 WeakPolarHBondContact O-CA 3.33Å; A758-C787 PolarHBondContact O-N 3.02Å; A758-K812 WeakPolarHBondContact CA-O 3.21Å; A758-K812 HydrophobicContact CB-CB 3.9Å; A758-K812 WeakPolarHBondContact CB-O 3.42Å; A758-I814 HydrophobicContact CB-CD1 3.73Å; A758-I814 HydrophobicContact CB-CG1 3.89Å; A758-L897 HydrophobicContact CB-CD2 3.88Å
759	Y	90.6	Very high	76.6	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.4	162.8	161.7	-121.6	0	0	0	109.5	I761 C787 E789 I807 S810 K812 I813 I814	Y759-I761 HydrophobicContact CD1-CD1 4.41Å; Y759-I761 HydrophobicContact CD1-CG1 4.06Å; Y759-I761 HydrophobicContact CE1-CD1 3.86Å; Y759-I761 HydrophobicContact CE1-CG1 3.44Å; Y759-I761 VanDerWaalsContact CE1-CG1 3.44Å; Y759-C787 HydrophobicContact CD2-CB 4.2Å; Y759-E789 HydrophobicContact CE2-CG 3.91Å; Y759-E789 PolarHBondContact OH-OE1 3.06Å; Y759-I807 HydrophobicContact CD1-CD1 4.5Å; Y759-I807 HydrophobicContact CD1-CG1 3.5Å; Y759-I807 HydrophobicContact CE1-CD1 4.12Å; Y759-I807 HydrophobicContact CE1-CG1 3.55Å; Y759-S810 VanDerWaalsContact CB-OG 3.26Å; Y759-S810 WeakPolarHBondContact CB-OG 3.5Å; Y759-S810 PolarHBondContact N-OG 3.05Å; Y759-K812 PolarHBondContact N-O 3.29Å; Y759-K812 VanDerWaalsContact N-O 3.08Å; Y759-I813 HydrophobicContact CD1-CG2 4.39Å; Y759-I814 PolarHBondContact O-N 3.21Å
760	I	90.4	Very high	78.8	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.9	-170.2	-53.8	179.8	0	0	0	110.2	V770 F774 F786 C787 L788 I814 I816	I760-V770 HydrophobicContact CD1-CG1 4.44Å; I760-V770 HydrophobicContact CG2-CG1 4.1Å; I760-F774 HydrophobicContact CD1-CB 4.15Å; I760-F774 HydrophobicContact CD1-CD1 3.32Å; I760-F774 HydrophobicContact CD1-CD2 3.83Å; I760-F774 HydrophobicContact CD1-CE1 3.51Å; I760-F774 HydrophobicContact CD1-CE2 4Å; I760-F774 HydrophobicContact CD1-CG 3.48Å; I760-F774 VanDerWaalsContact CD1-CG 3.48Å; I760-F774 HydrophobicContact CD1-CZ 3.85Å; I760-F774 HydrophobicContact CG1-CE1 4.5Å; I760-F786 HydrophobicContact CD1-CB 3.95Å; I760-F786 HydrophobicContact CD1-CD1 3.97Å; I760-F786 HydrophobicContact CD1-CG 4.06Å; I760-F786 HydrophobicContact CG1-CD1 4.41Å; I760-C787 PolarHBondContact N-O 3.05Å; I760-L788 HydrophobicContact CB-CD2 4.37Å; I760-L788 HydrophobicContact CD1-CD2 3.86Å; I760-L788 HydrophobicContact CG1-CD2 4.49Å; I760-I814 HydrophobicContact CG1-CB 4.28Å; I760-I814 HydrophobicContact CG1-CD1 4.32Å; I760-I814 HydrophobicContact CG2-CG2 4.3Å; I760-I816 HydrophobicContact CG2-CD1 4.09Å; I760-I816 HydrophobicContact CG2-CG1 3.76Å
761	I	90.6	Very high	81	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.4	174.6	-62	170.1	0	0	0	108.4	Y759 I813 I814 F815 I816 L821 K831 A835	Y759-I761 HydrophobicContact CD1-CD1 4.41Å; Y759-I761 HydrophobicContact CD1-CG1 4.06Å; Y759-I761 HydrophobicContact CE1-CD1 3.86Å; Y759-I761 HydrophobicContact CE1-CG1 3.44Å; Y759-I761 VanDerWaalsContact CE1-CG1 3.44Å; I761-I813 HydrophobicContact CD1-CG2 3.58Å; I761-I813 HydrophobicContact CG1-CG2 4.22Å; I761-I814 PolarHBondContact N-O 2.86Å; I761-F815 HydrophobicContact CB-CD1 4.1Å; I761-F815 HydrophobicContact CB-CE1 4.27Å; I761-F815 HydrophobicContact CB-CG 4.44Å; I761-F815 HydrophobicContact CD1-CD1 4.35Å; I761-F815 HydrophobicContact CD1-CE1 3.75Å; I761-F815 HydrophobicContact CD1-CE2 3.97Å; I761-F815 HydrophobicContact CD1-CZ 3.54Å; I761-F815 HydrophobicContact CG2-CD1 3.9Å; I761-F815 HydrophobicContact CG2-CE1 3.95Å; I761-F815 WeakPolarHBondContact O-CA 3.18Å; I761-I816 PolarHBondContact O-N 3.02Å; I761-L821 HydrophobicContact CG2-CD1 4.2Å; I761-L821 HydrophobicContact CG2-CD2 4.27Å; I761-K831 HydrophobicContact CD1-CB 4.14Å; I761-K831 HydrophobicContact CG2-CB 4.38Å; I761-K831 HydrophobicContact CG2-CD 4.05Å; I761-A835 HydrophobicContact CD1-CB 4.18Å
762	H	90.4	Very high	83	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.019	29%	0.288	C	S	.	.			trans	-133	168.4	176.4	62.2	92.8	0	0	0	110.9	D766 V770 E790 I816	H762-D766 HydrophobicContact CB-CB 4.36Å; H762-V770 HydrophobicContact CB-CG2 3.92Å; H762-E790 IonicContact CE1-OE1 3.48Å; H762-I816 HydrophobicContact CB-CB 3.85Å; H762-I816 HydrophobicContact CB-CG1 3.86Å
763	A	89.4	Confident	84.6	Confident	7 Å²	7	59.3 Å²	59.3	6%	0.058	27%	0.271	C	S	.	.			trans	-81.9	154.1	167.6	0	0	0	0	0	110.1	K765 D766 H820 L821	A763-K765 PolarHBondContact O-N 2.77Å; A763-D766 WeakPolarHBondContact CB-OD2 3.35Å; A763-D766 PolarHBondContact O-N 3.43Å; A763-H820 HydrophobicContact CB-CB 3.86Å; A763-L821 HydrophobicContact CB-CB 4.34Å
764	H	84.1	Confident	85.9	Confident	162 Å²	162	50 Å²	50	75%	0.75	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-53.7	-29.9	175.7	-176.7	-44.6	0	0	0	112.9	D766 K767	H764-D766 VanDerWaalsContact C-N 3.28Å; H764-D766 PolarHBondContact O-N 2.89Å; H764-K767 WeakPolarHBondContact O-CB 3.33Å
765	K	85.8	Confident	86.4	Confident	154 Å²	154	47.2 Å²	47.2	67%	0.67	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-70.7	-21.6	176.3	-79.1	-167.2	164.5	-153.8	0	114.5	A763 H820	A763-K765 PolarHBondContact O-N 2.77Å; K765-H820 WeakPolarHBondContact CD-CD2 2.95Å; K765-H820 VanDerWaalsContact CD-NE2 3.34Å; K765-H820 WeakPolarHBondContact CD-NE2 3.24Å
766	D	88.4	Confident	86.6	Confident	16 Å²	16	45.3 Å²	45.3	9%	0.086	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-95.7	-1.4	-173.7	-48.7	-26.5	0	0	0	110.8	H762 A763 H764 D768 W769 V770 T818	H762-D766 HydrophobicContact CB-CB 4.36Å; A763-D766 WeakPolarHBondContact CB-OD2 3.35Å; A763-D766 PolarHBondContact O-N 3.43Å; H764-D766 VanDerWaalsContact C-N 3.28Å; H764-D766 PolarHBondContact O-N 2.89Å; D766-D768 PolarHBondContact O-N 3.48Å; D766-W769 PolarHBondContact O-N 2.99Å; D766-V770 WeakPolarHBondContact O-CG2 3.2Å; D766-V770 PolarHBondContact O-N 3.33Å; D766-T818 VanDerWaalsContact OD2-CG2 3.27Å; D766-T818 WeakPolarHBondContact OD2-CG2 3.25Å; D766-T818 PolarHBondContact OD2-OG1 3.47Å
767	K	86.3	Confident	86.5	Confident	66 Å²	66	44.9 Å²	44.9	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-50.4	-56	-176.4	177.9	-174	-172	166.2	0	113.6	H764 W769 V770 W771 E790	H764-K767 WeakPolarHBondContact O-CB 3.33Å; K767-W769 PolarHBondContact O-N 2.85Å; K767-V770 WeakPolarHBondContact O-CB 3.37Å; K767-V770 PolarHBondContact O-N 3.12Å; K767-W771 PolarHBondContact O-N 3.09Å; K767-E790 HydrophobicContact CD-CG 4.2Å; K767-E790 WeakPolarHBondContact CD-OE1 3.5Å; K767-E790 WeakPolarHBondContact CE-OE1 3.32Å; K767-E790 VanDerWaalsContact CG-OE1 3.23Å; K767-E790 WeakPolarHBondContact CG-OE1 3.4Å; K767-E790 VanDerWaalsContact NZ-CB 3.26Å; K767-E790 VanDerWaalsContact NZ-CG 3.29Å; K767-E790 IonicContact NZ-OE1 2.69Å
768	D	86.8	Confident	86.4	Confident	127 Å²	127	46.3 Å²	46.3	68%	0.679	22%	0.217	S	C	*	.	H	α-helix	trans	-63.7	-35.2	-172	-58.3	-37.6	0	0	0	111	D766 E772	D766-D768 PolarHBondContact O-N 3.48Å; D768-E772 WeakPolarHBondContact O-CB 3.49Å; D768-E772 PolarHBondContact O-N 3.27Å
769	W	90	Very high	86.1	Confident	47 Å²	47	54.6 Å²	54.6	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-43.8	173.2	179.6	87.7	0	0	0	111.9	D766 K767 E772 H773 F774 I816 L852 W879	D766-W769 PolarHBondContact O-N 2.99Å; K767-W769 PolarHBondContact O-N 2.85Å; W769-E772 PolarHBondContact O-N 3.43Å; W769-H773 AromaticContact CD1-CE1 3.45Å; W769-H773 VanDerWaalsContact CD1-CE1 3.45Å; W769-H773 AromaticContact CD1-ND1 3.48Å; W769-H773 AromaticContact CD2-ND1 3.88Å; W769-H773 AromaticContact CE2-CE1 3.95Å; W769-H773 AromaticContact CE2-CG 3.89Å; W769-H773 AromaticContact CE2-ND1 3.51Å; W769-H773 AromaticContact CG-ND1 3.83Å; W769-H773 HydrophobicContact CH2-CB 4.43Å; W769-H773 HydrophobicContact CZ2-CB 4.23Å; W769-H773 AromaticContact CZ2-CG 3.94Å; W769-H773 AromaticContact NE1-CE1 3.27Å; W769-H773 PolarHBondContact NE1-CE1 3.35Å; W769-H773 VanDerWaalsContact NE1-CE1 3.27Å; W769-H773 AromaticContact NE1-CG 3.97Å; W769-H773 AromaticContact NE1-ND1 3.29Å; W769-H773 PolarHBondContact NE1-ND1 2.78Å; W769-H773 AromaticContact NE1-NE2 3.86Å; W769-H773 PolarHBondContact O-N 2.98Å; W769-H773 VanDerWaalsContact O-N 3.13Å; W769-H773 PolarHBondContact O-ND1 3.1Å; W769-F774 HydrophobicContact CH2-CE2 4.37Å; W769-F774 HydrophobicContact CZ3-CE2 4.1Å; W769-I816 HydrophobicContact CE3-CG2 4.38Å; W769-I816 HydrophobicContact CZ3-CD1 4.07Å; W769-I816 HydrophobicContact CZ3-CG2 4.15Å; W769-L852 HydrophobicContact CD2-CD1 3.89Å; W769-L852 HydrophobicContact CD2-CD2 4.39Å; W769-L852 HydrophobicContact CE3-CD1 3.8Å; W769-L852 HydrophobicContact CE3-CD2 4.29Å; W769-L852 HydrophobicContact CG-CD1 4.49Å; W769-L852 HydrophobicContact CH2-CD2 3.6Å; W769-L852 HydrophobicContact CZ2-CD2 3.66Å; W769-L852 HydrophobicContact CZ3-CD1 4.16Å; W769-L852 HydrophobicContact CZ3-CD2 3.91Å; W769-W879 HydrophobicContact CH2-CE3 4.26Å; W769-W879 HydrophobicContact CH2-CZ3 4.43Å; W769-W879 AromaticContact CZ2-CD2 3.72Å; W769-W879 HydrophobicContact CZ2-CD2 3.72Å; W769-W879 AromaticContact CZ2-CE2 3.91Å; W769-W879 AromaticContact CZ2-CE3 3.6Å; W769-W879 HydrophobicContact CZ2-CE3 3.6Å; W769-W879 HydrophobicContact CZ2-CG 4.46Å; W769-W879 AromaticContact CZ2-CH2 3.97Å; W769-W879 HydrophobicContact CZ2-CH2 3.97Å; W769-W879 HydrophobicContact CZ2-CZ2 4.05Å; W769-W879 AromaticContact CZ2-CZ3 3.74Å; W769-W879 HydrophobicContact CZ2-CZ3 3.74Å; W769-W879 AromaticContact NE1-CE2 3.89Å; W769-W879 AromaticContact NE1-CZ2 3.96Å
770	V	87.9	Confident	85.5	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.3	171	0	0	0	0	110.6	I760 H762 D766 K767 H773 F774 L788 I816	I760-V770 HydrophobicContact CD1-CG1 4.44Å; I760-V770 HydrophobicContact CG2-CG1 4.1Å; H762-V770 HydrophobicContact CB-CG2 3.92Å; D766-V770 WeakPolarHBondContact O-CG2 3.2Å; D766-V770 PolarHBondContact O-N 3.33Å; K767-V770 WeakPolarHBondContact O-CB 3.37Å; K767-V770 PolarHBondContact O-N 3.12Å; V770-H773 PolarHBondContact O-N 3.19Å; V770-F774 HydrophobicContact CB-CD2 4.45Å; V770-F774 HydrophobicContact CG1-CD2 3.85Å; V770-F774 HydrophobicContact CG1-CE2 4.42Å; V770-F774 WeakPolarHBondContact O-CB 3.15Å; V770-F774 WeakPolarHBondContact O-CD2 3.32Å; V770-F774 PolarHBondContact O-N 3.1Å; V770-L788 HydrophobicContact CG1-CD2 3.54Å; V770-I816 HydrophobicContact CG2-CG1 3.97Å
771	W	85.8	Confident	84.9	Confident	128 Å²	128	64.6 Å²	64.6	49%	0.485	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-47.4	178.8	-173.5	-98.3	0	0	0	112.1	K767 H773 S775 L788 R791	K767-W771 PolarHBondContact O-N 3.09Å; W771-H773 PolarHBondContact O-N 2.96Å; W771-S775 WeakPolarHBondContact O-CB 3.38Å; W771-S775 PolarHBondContact O-N 2.92Å; W771-S775 VanDerWaalsContact O-N 3.13Å; W771-S775 PolarHBondContact O-OG 3.35Å; W771-L788 HydrophobicContact CE3-CD1 3.83Å; W771-L788 HydrophobicContact CZ3-CD1 3.95Å; W771-R791 HydrophobicContact CZ3-CB 4.13Å
772	E	85.3	Confident	84	Confident	131 Å²	131	73.6 Å²	73.6	61%	0.612	34%	0.343	S	S	*	.	H	α-helix	trans	-59.3	-44.3	178.3	-175.4	176.8	-148.1	0	0	112.4	D768 W769 S776	D768-E772 WeakPolarHBondContact O-CB 3.49Å; D768-E772 PolarHBondContact O-N 3.27Å; W769-E772 PolarHBondContact O-N 3.43Å; E772-S776 WeakPolarHBondContact O-CB 3.44Å; E772-S776 PolarHBondContact O-OG 3.48Å
773	H	85.4	Confident	83.2	Confident	28 Å²	28	77.8 Å²	77.8	13%	0.13	37%	0.373	C	S	.	.	H	α-helix	trans	-91.4	-26.4	-169.8	-65.8	83.4	0	0	0	114.8	W769 V770 W771 S776 M777 W879	W769-H773 AromaticContact CD1-CE1 3.45Å; W769-H773 VanDerWaalsContact CD1-CE1 3.45Å; W769-H773 AromaticContact CD1-ND1 3.48Å; W769-H773 AromaticContact CD2-ND1 3.88Å; W769-H773 AromaticContact CE2-CE1 3.95Å; W769-H773 AromaticContact CE2-CG 3.89Å; W769-H773 AromaticContact CE2-ND1 3.51Å; W769-H773 AromaticContact CG-ND1 3.83Å; W769-H773 HydrophobicContact CH2-CB 4.43Å; W769-H773 HydrophobicContact CZ2-CB 4.23Å; W769-H773 AromaticContact CZ2-CG 3.94Å; W769-H773 AromaticContact NE1-CE1 3.27Å; W769-H773 PolarHBondContact NE1-CE1 3.35Å; W769-H773 VanDerWaalsContact NE1-CE1 3.27Å; W769-H773 AromaticContact NE1-CG 3.97Å; W769-H773 AromaticContact NE1-ND1 3.29Å; W769-H773 PolarHBondContact NE1-ND1 2.78Å; W769-H773 AromaticContact NE1-NE2 3.86Å; W769-H773 PolarHBondContact O-N 2.98Å; W769-H773 VanDerWaalsContact O-N 3.13Å; W769-H773 PolarHBondContact O-ND1 3.1Å; V770-H773 PolarHBondContact O-N 3.19Å; W771-H773 PolarHBondContact O-N 2.96Å; H773-S776 WeakPolarHBondContact CA-OG 3.39Å; H773-S776 PolarHBondContact O-OG 3.01Å; H773-S776 VanDerWaalsContact O-OG 3.09Å; H773-M777 WeakPolarHBondContact O-CG 3.48Å; H773-W879 AromaticContact CD2-CH2 3.32Å; H773-W879 WeakPolarHBondContact CD2-CH2 3.38Å; H773-W879 AromaticContact CD2-CZ2 3.71Å; H773-W879 AromaticContact NE2-CH2 3.69Å; H773-W879 AromaticContact NE2-CZ2 3.54Å
774	F	86.3	Confident	82.6	Confident	3 Å²	3	78.1 Å²	78.1	1%	0.013	37%	0.374	C	S	.	.	H	α-helix	trans	-92.1	-40.2	176.1	-72.4	-90	0	0	0	112	I760 W769 V770 S776 M777 E778 F786 I814 I816 I850 L893	I760-F774 HydrophobicContact CD1-CB 4.15Å; I760-F774 HydrophobicContact CD1-CD1 3.32Å; I760-F774 HydrophobicContact CD1-CD2 3.83Å; I760-F774 HydrophobicContact CD1-CE1 3.51Å; I760-F774 HydrophobicContact CD1-CE2 4Å; I760-F774 HydrophobicContact CD1-CG 3.48Å; I760-F774 VanDerWaalsContact CD1-CG 3.48Å; I760-F774 HydrophobicContact CD1-CZ 3.85Å; I760-F774 HydrophobicContact CG1-CE1 4.5Å; W769-F774 HydrophobicContact CH2-CE2 4.37Å; W769-F774 HydrophobicContact CZ3-CE2 4.1Å; V770-F774 HydrophobicContact CB-CD2 4.45Å; V770-F774 HydrophobicContact CG1-CD2 3.85Å; V770-F774 HydrophobicContact CG1-CE2 4.42Å; V770-F774 WeakPolarHBondContact O-CB 3.15Å; V770-F774 WeakPolarHBondContact O-CD2 3.32Å; V770-F774 PolarHBondContact O-N 3.1Å; F774-S776 PolarHBondContact O-N 3.23Å; F774-M777 WeakPolarHBondContact O-CB 3.14Å; F774-M777 PolarHBondContact O-N 3.01Å; F774-M777 VanDerWaalsContact O-N 3.09Å; F774-E778 WeakPolarHBondContact O-CG 3.38Å; F774-E778 PolarHBondContact O-N 3.37Å; F774-F786 HydrophobicContact CB-CD2 4.33Å; F774-F786 HydrophobicContact CD1-CD1 4.07Å; F774-F786 AromaticContact CD1-CD2 3.94Å; F774-F786 HydrophobicContact CD1-CD2 3.94Å; F774-F786 HydrophobicContact CD1-CE1 4.02Å; F774-F786 AromaticContact CD1-CE2 3.89Å; F774-F786 HydrophobicContact CD1-CE2 3.89Å; F774-F786 HydrophobicContact CD1-CG 4.03Å; F774-F786 AromaticContact CD1-CZ 3.93Å; F774-F786 HydrophobicContact CD1-CZ 3.93Å; F774-F786 HydrophobicContact CE1-CD1 4.42Å; F774-F786 HydrophobicContact CE1-CE1 4.14Å; F774-F786 HydrophobicContact CE1-CZ 4.27Å; F774-I814 HydrophobicContact CE1-CD1 3.83Å; F774-I814 HydrophobicContact CZ-CD1 4.23Å; F774-I814 HydrophobicContact CZ-CG2 4.41Å; F774-I816 HydrophobicContact CE2-CD1 4.13Å; F774-I816 HydrophobicContact CZ-CD1 4.29Å; F774-I850 HydrophobicContact CZ-CD1 3.91Å; F774-L893 HydrophobicContact CE1-CD2 3.93Å; F774-L893 HydrophobicContact CZ-CD2 4.2Å
775	S	82.3	Confident	82.6	Confident	11 Å²	11	74.3 Å²	74.3	8%	0.077	36%	0.355	C	S	.	.	H	α-helix	trans	-75.5	-4	176.3	-55.8	0	0	0	0	114.2	W771 K779	W771-S775 WeakPolarHBondContact O-CB 3.38Å; W771-S775 PolarHBondContact O-N 2.92Å; W771-S775 VanDerWaalsContact O-N 3.13Å; W771-S775 PolarHBondContact O-OG 3.35Å; S775-K779 WeakPolarHBondContact O-CD 3.39Å; S775-K779 VanDerWaalsContact O-CE 3.28Å; S775-K779 WeakPolarHBondContact O-CE 3.42Å; S775-K779 WeakPolarHBondContact O-CG 3.43Å
776	S	80.6	Confident	82.7	Confident	42 Å²	42	67 Å²	67	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-81.6	-47.3	160.6	43.2	0	0	0	0	111	E772 H773 F774 E778 K779 E780	E772-S776 WeakPolarHBondContact O-CB 3.44Å; E772-S776 PolarHBondContact O-OG 3.48Å; H773-S776 WeakPolarHBondContact CA-OG 3.39Å; H773-S776 PolarHBondContact O-OG 3.01Å; H773-S776 VanDerWaalsContact O-OG 3.09Å; F774-S776 PolarHBondContact O-N 3.23Å; S776-E778 VanDerWaalsContact C-N 3.34Å; S776-E778 PolarHBondContact O-N 2.91Å; S776-K779 WeakPolarHBondContact O-CB 3.21Å; S776-K779 PolarHBondContact O-N 3.18Å; S776-E780 PolarHBondContact O-N 2.9Å
777	M	79.4	Confident	82.7	Confident	9 Å²	9	66.2 Å²	66.2	4%	0.044	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-41.3	174.9	-69.6	-175.9	73.9	0	0	113.2	H773 F774 K779 E780 D781 L784 F786 H890 L893 Q894	H773-M777 WeakPolarHBondContact O-CG 3.48Å; F774-M777 WeakPolarHBondContact O-CB 3.14Å; F774-M777 PolarHBondContact O-N 3.01Å; F774-M777 VanDerWaalsContact O-N 3.09Å; M777-K779 PolarHBondContact O-N 2.95Å; M777-K779 VanDerWaalsContact O-N 3.17Å; M777-E780 PolarHBondContact O-N 2.8Å; M777-E780 VanDerWaalsContact O-N 3.11Å; M777-D781 PolarHBondContact O-N 3.43Å; M777-L784 HydrophobicContact CE-CD1 4.24Å; M777-F786 HydrophobicContact CB-CE2 4.4Å; M777-H890 HydrophobicContact CE-CB 4.48Å; M777-H890 WeakPolarHBondContact CG-ND1 3.37Å; M777-H890 PolarHBondContact SD-ND1 3.11Å; M777-L893 HydrophobicContact CE-CD2 4.24Å; M777-L893 HydrophobicContact SD-CD2 3.93Å; M777-Q894 HydrophobicContact CE-CG 4.27Å
778	E	82.6	Confident	82.7	Confident	35 Å²	35	63.2 Å²	63.2	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-21.2	176.3	-63.8	-175	135.6	0	0	113.5	F774 S776 L784 F786 R791	F774-E778 WeakPolarHBondContact O-CG 3.38Å; F774-E778 PolarHBondContact O-N 3.37Å; S776-E778 VanDerWaalsContact C-N 3.34Å; S776-E778 PolarHBondContact O-N 2.91Å; E778-L784 WeakPolarHBondContact CG-O 3.47Å; E778-F786 HydrophobicContact CG-CD2 3.75Å; E778-F786 HydrophobicContact CG-CE2 4.38Å; E778-F786 PolarHBondContact OE1-N 3.48Å; E778-R791 IonicContact OE1-CZ 3.82Å; E778-R791 IonicContact OE1-NH1 2.73Å; E778-R791 PolarHBondContact OE1-NH1 3.4Å; E778-R791 IonicContact OE1-NH2 2.76Å; E778-R791 PolarHBondContact OE1-NH2 3.1Å; E778-R791 IonicContact OE2-CZ 2.77Å; E778-R791 IonicContact OE2-NH1 3.51Å; E778-R791 PolarHBondContact OE2-NH1 3.33Å; E778-R791 IonicContact OE2-NH2 2.9Å
779	K	79.1	Confident	82.5	Confident	175 Å²	175	58.4 Å²	58.4	76%	0.761	28%	0.28	S	S	*	.	H	α-helix	trans	-88.5	-26.8	176.3	-66.2	170	-174.1	166.4	0	112.7	S775 S776 M777	S775-K779 WeakPolarHBondContact O-CD 3.39Å; S775-K779 VanDerWaalsContact O-CE 3.28Å; S775-K779 WeakPolarHBondContact O-CE 3.42Å; S775-K779 WeakPolarHBondContact O-CG 3.43Å; S776-K779 WeakPolarHBondContact O-CB 3.21Å; S776-K779 PolarHBondContact O-N 3.18Å; M777-K779 PolarHBondContact O-N 2.95Å; M777-K779 VanDerWaalsContact O-N 3.17Å
780	E	78.8	Confident	82.1	Confident	165 Å²	165	60 Å²	60	77%	0.771	29%	0.289	S	S	*	.	H	α-helix	trans	-83.7	-33.1	176.7	-66.7	-176.8	172.1	0	0	112.1	S776 M777	S776-E780 PolarHBondContact O-N 2.9Å; M777-E780 PolarHBondContact O-N 2.8Å; M777-E780 VanDerWaalsContact O-N 3.11Å
781	D	77.5	Confident	81.8	Confident	45 Å²	45	64.3 Å²	64.3	24%	0.241	31%	0.305	C	S	.	.			trans	-135.7	100.1	-179.9	-175.5	-7.1	0	0	0	111.7	M777 S783 L784	M777-D781 PolarHBondContact O-N 3.43Å; D781-S783 PolarHBondContact O-N 3.35Å; D781-S783 VanDerWaalsContact O-N 3.1Å; D781-S783 WeakPolarHBondContact OD1-CA 3.49Å; D781-S783 VanDerWaalsContact OD1-CB 3.26Å; D781-S783 WeakPolarHBondContact OD1-CB 3.21Å; D781-S783 PolarHBondContact OD1-N 3.24Å; D781-S783 PolarHBondContact OD1-OG 3.15Å; D781-S783 PolarHBondContact OD2-OG 3.23Å; D781-L784 HydrophobicContact CB-CD1 4.21Å; D781-L784 HydrophobicContact CB-CG 4.37Å; D781-L784 PolarHBondContact O-N 2.99Å; D781-L784 VanDerWaalsContact O-N 3.11Å
782	Q	72.4	Confident	81.6	Confident	188 Å²	188	59.8 Å²	59.8	88%	0.879	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.4	178.4	-65.4	-175.2	-5.1	0	0	114.2	L784	Q782-L784 VanDerWaalsContact C-N 3.31Å
783	S	72.1	Confident	81.5	Confident	93 Å²	93	55.9 Å²	55.9	65%	0.65	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.8	173.8	79.3	0	0	0	0	113.4	D781	D781-S783 PolarHBondContact O-N 3.35Å; D781-S783 VanDerWaalsContact O-N 3.1Å; D781-S783 WeakPolarHBondContact OD1-CA 3.49Å; D781-S783 VanDerWaalsContact OD1-CB 3.26Å; D781-S783 WeakPolarHBondContact OD1-CB 3.21Å; D781-S783 PolarHBondContact OD1-N 3.24Å; D781-S783 PolarHBondContact OD1-OG 3.15Å; D781-S783 PolarHBondContact OD2-OG 3.23Å
784	L	77.3	Confident	81.1	Confident	14 Å²	14	60 Å²	60	7%	0.073	29%	0.291	C	S	.	.			trans	-106.8	94.4	177.7	-62.1	178.6	0	0	0	110.4	A757 M777 E778 D781 Q782 F786 Q894 L897	A757-L784 HydrophobicContact CB-CD2 3.94Å; M777-L784 HydrophobicContact CE-CD1 4.24Å; E778-L784 WeakPolarHBondContact CG-O 3.47Å; D781-L784 HydrophobicContact CB-CD1 4.21Å; D781-L784 HydrophobicContact CB-CG 4.37Å; D781-L784 PolarHBondContact O-N 2.99Å; D781-L784 VanDerWaalsContact O-N 3.11Å; Q782-L784 VanDerWaalsContact C-N 3.31Å; L784-F786 HydrophobicContact CB-CE2 3.95Å; L784-F786 HydrophobicContact CB-CZ 4.17Å; L784-F786 HydrophobicContact CD1-CZ 4.43Å; L784-Q894 HydrophobicContact CD1-CG 4.39Å; L784-L897 HydrophobicContact CD2-CD1 4.33Å
785	K	84.8	Confident	80.3	Confident	82 Å²	82	65.3 Å²	65.3	36%	0.357	34%	0.336	S	S	.	.			trans	-94.5	122.6	166.2	-169	-165	-177.5	-161.7	0	109.2	E755 Y756 A757	E755-K785 IonicContact OE1-NZ 2.84Å; E755-K785 PolarHBondContact OE1-NZ 2.75Å; Y756-K785 CarbonylContact C-O 3.58Å; Y756-K785 WeakPolarHBondContact CA-O 3.25Å; Y756-K785 HydrophobicContact CD1-CB 4.48Å; Y756-K785 HydrophobicContact CD1-CD 3.74Å; Y756-K785 HydrophobicContact CD1-CG 3.84Å; Y756-K785 HydrophobicContact CE1-CD 3.67Å; Y756-K785 HydrophobicContact CE1-CG 4.02Å; Y756-K785 VanDerWaalsContact CZ-NZ 3.31Å; Y756-K785 PolarHBondContact OH-NZ 3.38Å; Y756-K785 VanDerWaalsContact OH-NZ 3.09Å; A757-K785 PolarHBondContact N-O 3Å
786	F	87.6	Confident	79.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	150.8	176.1	-64.4	-77.2	0	0	0	111.3	Y756 A758 I760 F774 M777 E778 L784 R791 I814 L897	Y756-F786 VanDerWaalsContact CD1-C 3.41Å; Y756-F786 WeakPolarHBondContact CD1-O 3.37Å; A758-F786 HydrophobicContact CB-CD1 4.01Å; A758-F786 HydrophobicContact CB-CE1 4.17Å; A758-F786 WeakPolarHBondContact O-CA 3.33Å; I760-F786 HydrophobicContact CD1-CB 3.95Å; I760-F786 HydrophobicContact CD1-CD1 3.97Å; I760-F786 HydrophobicContact CD1-CG 4.06Å; I760-F786 HydrophobicContact CG1-CD1 4.41Å; F774-F786 HydrophobicContact CB-CD2 4.33Å; F774-F786 HydrophobicContact CD1-CD1 4.07Å; F774-F786 AromaticContact CD1-CD2 3.94Å; F774-F786 HydrophobicContact CD1-CD2 3.94Å; F774-F786 HydrophobicContact CD1-CE1 4.02Å; F774-F786 AromaticContact CD1-CE2 3.89Å; F774-F786 HydrophobicContact CD1-CE2 3.89Å; F774-F786 HydrophobicContact CD1-CG 4.03Å; F774-F786 AromaticContact CD1-CZ 3.93Å; F774-F786 HydrophobicContact CD1-CZ 3.93Å; F774-F786 HydrophobicContact CE1-CD1 4.42Å; F774-F786 HydrophobicContact CE1-CE1 4.14Å; F774-F786 HydrophobicContact CE1-CZ 4.27Å; M777-F786 HydrophobicContact CB-CE2 4.4Å; E778-F786 HydrophobicContact CG-CD2 3.75Å; E778-F786 HydrophobicContact CG-CE2 4.38Å; E778-F786 PolarHBondContact OE1-N 3.48Å; L784-F786 HydrophobicContact CB-CE2 3.95Å; L784-F786 HydrophobicContact CB-CZ 4.17Å; L784-F786 HydrophobicContact CD1-CZ 4.43Å; F786-R791 PolarHBondContact O-NH2 2.96Å; F786-I814 HydrophobicContact CE1-CD1 4.13Å; F786-L897 HydrophobicContact CE1-CD1 3.85Å; F786-L897 HydrophobicContact CE1-CD2 4.27Å; F786-L897 HydrophobicContact CZ-CD1 3.76Å
787	C	87.5	Confident	79.7	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115	171.9	-172.7	0	0	0	0	109.2	Y756 A758 Y759 I760 D792 S806	Y756-C787 HydrophobicContact CD1-CB 3.61Å; Y756-C787 HydrophobicContact CD2-CB 4.09Å; Y756-C787 HydrophobicContact CE1-CB 3.88Å; Y756-C787 HydrophobicContact CE2-CB 4.39Å; Y756-C787 HydrophobicContact CG-CB 3.72Å; A758-C787 PolarHBondContact O-N 3.02Å; Y759-C787 HydrophobicContact CD2-CB 4.2Å; I760-C787 PolarHBondContact N-O 3.05Å; C787-D792 WeakPolarHBondContact CA-OD2 3.32Å; C787-S806 PolarHBondContact SG-OG 2.93Å
788	L	86.6	Confident	79.7	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	41%	0.409	C	S	.	.			trans	-113.2	131	-179.2	-65.3	176.1	0	0	0	110.2	I760 V770 W771 E790 R791 D792	I760-L788 HydrophobicContact CB-CD2 4.37Å; I760-L788 HydrophobicContact CD1-CD2 3.86Å; I760-L788 HydrophobicContact CG1-CD2 4.49Å; V770-L788 HydrophobicContact CG1-CD2 3.54Å; W771-L788 HydrophobicContact CE3-CD1 3.83Å; W771-L788 HydrophobicContact CZ3-CD1 3.95Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.26Å; L788-R791 HydrophobicContact CB-CB 4.3Å; L788-R791 PolarHBondContact O-N 2.94Å; L788-R791 VanDerWaalsContact O-N 3.13Å; L788-D792 PolarHBondContact N-OD2 3Å; L788-D792 PolarHBondContact O-N 3.14Å
789	E	84	Confident	79.5	Confident	27 Å²	27	80.7 Å²	80.7	13%	0.126	43%	0.425	C	S	.	.	H	α-helix	trans	-61.3	-35.5	-169.2	-59.4	-168.3	171.2	0	0	112.9	Y759 F793 K831	Y759-E789 HydrophobicContact CE2-CG 3.91Å; Y759-E789 PolarHBondContact OH-OE1 3.06Å; E789-F793 HydrophobicContact CB-CD2 4.45Å; E789-F793 HydrophobicContact CB-CE1 4.26Å; E789-F793 HydrophobicContact CB-CE2 4.05Å; E789-F793 HydrophobicContact CB-CZ 3.95Å; E789-F793 HydrophobicContact CG-CE1 4.09Å; E789-F793 HydrophobicContact CG-CE2 4.22Å; E789-F793 HydrophobicContact CG-CZ 3.7Å; E789-F793 WeakPolarHBondContact O-CB 3.48Å; E789-F793 VanDerWaalsContact O-CG 3.27Å; E789-F793 WeakPolarHBondContact O-CG 3.2Å; E789-K831 IonicContact OE1-NZ 3.6Å; E789-K831 PolarHBondContact OE1-NZ 2.89Å; E789-K831 IonicContact OE2-NZ 2.85Å; E789-K831 PolarHBondContact OE2-NZ 2.83Å
790	E	80.9	Confident	79.6	Confident	81 Å²	81	76.3 Å²	76.3	38%	0.379	41%	0.41	S	S	.	.	H	α-helix	trans	-95.5	12.3	-177.7	-41.1	94	148.1	0	0	114.3	H762 K767 L788	H762-E790 IonicContact CE1-OE1 3.48Å; K767-E790 HydrophobicContact CD-CG 4.2Å; K767-E790 WeakPolarHBondContact CD-OE1 3.5Å; K767-E790 WeakPolarHBondContact CE-OE1 3.32Å; K767-E790 VanDerWaalsContact CG-OE1 3.23Å; K767-E790 WeakPolarHBondContact CG-OE1 3.4Å; K767-E790 VanDerWaalsContact NZ-CB 3.26Å; K767-E790 VanDerWaalsContact NZ-CG 3.29Å; K767-E790 IonicContact NZ-OE1 2.69Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.26Å
791	R	82.5	Confident	79.8	Confident	91 Å²	91	73.6 Å²	73.6	34%	0.343	40%	0.397	S	S	.	.	H	α-helix	trans	-123.2	-49	172.8	-179	-176.7	72	-172.4	-0.6	112.6	W771 E778 F786 L788	W771-R791 HydrophobicContact CZ3-CB 4.13Å; E778-R791 IonicContact OE1-CZ 3.82Å; E778-R791 IonicContact OE1-NH1 2.73Å; E778-R791 PolarHBondContact OE1-NH1 3.4Å; E778-R791 IonicContact OE1-NH2 2.76Å; E778-R791 PolarHBondContact OE1-NH2 3.1Å; E778-R791 IonicContact OE2-CZ 2.77Å; E778-R791 IonicContact OE2-NH1 3.51Å; E778-R791 PolarHBondContact OE2-NH1 3.33Å; E778-R791 IonicContact OE2-NH2 2.9Å; F786-R791 PolarHBondContact O-NH2 2.96Å; L788-R791 HydrophobicContact CB-CB 4.3Å; L788-R791 PolarHBondContact O-N 2.94Å; L788-R791 VanDerWaalsContact O-N 3.13Å
792	D	80.1	Confident	80	Confident	33 Å²	33	71.9 Å²	71.9	18%	0.176	39%	0.389	C	S	.	.	H	α-helix	trans	-100.7	0.5	-163.3	-57.4	-57.5	0	0	0	113	Y756 C787 L788	Y756-D792 HydrophobicContact CE1-CB 4.39Å; C787-D792 WeakPolarHBondContact CA-OD2 3.32Å; L788-D792 PolarHBondContact N-OD2 3Å; L788-D792 PolarHBondContact O-N 3.14Å
793	F	83.6	Confident	80.5	Confident	50 Å²	50	62.9 Å²	62.9	22%	0.219	35%	0.347	C	S	.	.	S	Bend	trans	-80.9	122.2	174.3	-78.8	14.5	0	0	0	111.4	E789 A795 E799 A802 I803 S806	E789-F793 HydrophobicContact CB-CD2 4.45Å; E789-F793 HydrophobicContact CB-CE1 4.26Å; E789-F793 HydrophobicContact CB-CE2 4.05Å; E789-F793 HydrophobicContact CB-CZ 3.95Å; E789-F793 HydrophobicContact CG-CE1 4.09Å; E789-F793 HydrophobicContact CG-CE2 4.22Å; E789-F793 HydrophobicContact CG-CZ 3.7Å; E789-F793 WeakPolarHBondContact O-CB 3.48Å; E789-F793 VanDerWaalsContact O-CG 3.27Å; E789-F793 WeakPolarHBondContact O-CG 3.2Å; F793-A795 PolarHBondContact O-N 3.02Å; F793-E799 HydrophobicContact CE2-CG 4.5Å; F793-A802 HydrophobicContact CD1-CB 4.2Å; F793-A802 HydrophobicContact CD2-CB 3.89Å; F793-A802 HydrophobicContact CE1-CB 4.3Å; F793-A802 HydrophobicContact CE2-CB 4Å; F793-A802 HydrophobicContact CG-CB 3.99Å; F793-A802 HydrophobicContact CZ-CB 4.2Å; F793-I803 HydrophobicContact CE2-CG1 4.23Å; F793-I803 HydrophobicContact CZ-CG1 3.87Å; F793-S806 WeakPolarHBondContact CE1-OG 3.3Å
794	E	76.6	Confident	81.1	Confident	114 Å²	114	59.9 Å²	59.9	53%	0.533	33%	0.325	S	S	.	.			trans	-67.4	120.4	-178.7	-63.4	175.3	-146.5	0	0	111.5	G796 V797 R809	E794-G796 PolarHBondContact O-N 2.74Å; E794-V797 HydrophobicContact CB-CG2 3.92Å; E794-V797 PolarHBondContact O-N 2.73Å; E794-R809 IonicContact OE1-CZ 3.62Å; E794-R809 IonicContact OE1-NH1 3.58Å; E794-R809 IonicContact OE1-NH2 3.57Å; E794-R809 PolarHBondContact OE1-NH2 2.78Å; E794-R809 VanDerWaalsContact OE1-NH2 3.11Å
795	A	70.1	Confident	81.3	Confident	115 Å²	115	62 Å²	62	95%	0.95	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	107.1	-174	0	0	0	0	0	112.4	F793	F793-A795 PolarHBondContact O-N 3.02Å
796	G	71.9	Confident	81.2	Confident	84 Å²	84	58.6 Å²	58.6	87%	0.866	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.6	-12	-179.2	0	0	0	0	0	114.4	E794	E794-G796 PolarHBondContact O-N 2.74Å
797	V	79.1	Confident	81	Confident	59 Å²	59	58.8 Å²	58.8	36%	0.358	32%	0.324	S	S	.	.	S	Bend	trans	-80.3	148.8	173.7	-176.8	0	0	0	0	110.4	E794 E801 A802	E794-V797 HydrophobicContact CB-CG2 3.92Å; E794-V797 PolarHBondContact O-N 2.73Å; V797-E801 HydrophobicContact CG1-CB 4.1Å; V797-E801 HydrophobicContact CG1-CG 4.09Å; V797-A802 HydrophobicContact CG1-CB 4.32Å
798	F	79.5	Confident	80.7	Confident	169 Å²	169	63.8 Å²	63.8	74%	0.741	35%	0.346	S	S	*	.			trans	-66.6	134.6	172.6	-82.8	-80	0	0	0	111.2	L800 E801 A802	F798-L800 VanDerWaalsContact C-N 3.28Å; F798-L800 PolarHBondContact O-N 3.02Å; F798-L800 VanDerWaalsContact O-N 3.15Å; F798-E801 HydrophobicContact CB-CB 4.31Å; F798-E801 WeakPolarHBondContact O-CA 3.38Å; F798-E801 WeakPolarHBondContact O-CB 3.4Å; F798-E801 PolarHBondContact O-N 2.72Å; F798-A802 PolarHBondContact O-N 3.02Å
799	E	77.4	Confident	80.5	Confident	107 Å²	107	68.3 Å²	68.3	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-51.1	-42.7	-177.1	-171	-174.1	171.5	0	0	113.4	F793 E801 A802 I803 L826	F793-E799 HydrophobicContact CE2-CG 4.5Å; E799-E801 VanDerWaalsContact C-N 3.34Å; E799-E801 PolarHBondContact O-N 2.92Å; E799-A802 PolarHBondContact O-N 3.44Å; E799-I803 HydrophobicContact CG-CD1 4.11Å; E799-I803 WeakPolarHBondContact O-CD1 3.23Å; E799-I803 WeakPolarHBondContact O-CG1 3.27Å; E799-I803 PolarHBondContact O-N 2.9Å; E799-L826 WeakPolarHBondContact OE1-CD2 3.36Å
800	L	81	Confident	80.5	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-36.7	177.5	-61.8	175	0	0	0	112.9	F798 V804 L826 F830	F798-L800 VanDerWaalsContact C-N 3.28Å; F798-L800 PolarHBondContact O-N 3.02Å; F798-L800 VanDerWaalsContact O-N 3.15Å; L800-V804 WeakPolarHBondContact O-CG2 3.36Å; L800-V804 PolarHBondContact O-N 3.17Å; L800-L826 HydrophobicContact CD2-CD1 3.75Å; L800-F830 HydrophobicContact CB-CE1 4.02Å; L800-F830 HydrophobicContact CB-CZ 3.97Å; L800-F830 HydrophobicContact CD2-CB 4.44Å; L800-F830 HydrophobicContact CD2-CD1 3.57Å; L800-F830 HydrophobicContact CD2-CD2 4.13Å; L800-F830 HydrophobicContact CD2-CE1 3.72Å; L800-F830 HydrophobicContact CD2-CE2 4.26Å; L800-F830 HydrophobicContact CD2-CG 3.78Å; L800-F830 HydrophobicContact CD2-CZ 4.05Å; L800-F830 HydrophobicContact CG-CE1 4.47Å
801	E	83	Confident	80.5	Confident	108 Å²	108	67.7 Å²	67.7	51%	0.505	36%	0.356	S	S	.	.	H	α-helix	trans	-76.5	-38.8	178.7	-178.7	172	-161.3	0	0	111.2	V797 F798 E799 V804 N805	V797-E801 HydrophobicContact CG1-CB 4.1Å; V797-E801 HydrophobicContact CG1-CG 4.09Å; F798-E801 HydrophobicContact CB-CB 4.31Å; F798-E801 WeakPolarHBondContact O-CA 3.38Å; F798-E801 WeakPolarHBondContact O-CB 3.4Å; F798-E801 PolarHBondContact O-N 2.72Å; E799-E801 VanDerWaalsContact C-N 3.34Å; E799-E801 PolarHBondContact O-N 2.92Å; E801-V804 PolarHBondContact O-N 3.42Å; E801-N805 WeakPolarHBondContact O-CB 3.34Å; E801-N805 PolarHBondContact O-N 2.91Å; E801-N805 PolarHBondContact O-ND2 2.72Å
802	A	81.9	Confident	80.7	Confident	9 Å²	9	63.6 Å²	63.6	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-57.3	-48.6	170.1	0	0	0	0	0	111	F793 V797 F798 E799 V804 N805 S806	F793-A802 HydrophobicContact CD1-CB 4.2Å; F793-A802 HydrophobicContact CD2-CB 3.89Å; F793-A802 HydrophobicContact CE1-CB 4.3Å; F793-A802 HydrophobicContact CE2-CB 4Å; F793-A802 HydrophobicContact CG-CB 3.99Å; F793-A802 HydrophobicContact CZ-CB 4.2Å; V797-A802 HydrophobicContact CG1-CB 4.32Å; F798-A802 PolarHBondContact O-N 3.02Å; E799-A802 PolarHBondContact O-N 3.44Å; A802-V804 PolarHBondContact O-N 2.95Å; A802-N805 PolarHBondContact O-N 2.93Å; A802-S806 WeakPolarHBondContact O-CB 3.4Å; A802-S806 PolarHBondContact O-N 3.32Å; A802-S806 PolarHBondContact O-OG 3.15Å
803	I	83.8	Confident	81.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.1	-48.9	175.7	-70.1	159.2	0	0	0	111.7	F793 E799 N805 S806 I807 L826 F830 K831	F793-I803 HydrophobicContact CE2-CG1 4.23Å; F793-I803 HydrophobicContact CZ-CG1 3.87Å; E799-I803 HydrophobicContact CG-CD1 4.11Å; E799-I803 WeakPolarHBondContact O-CD1 3.23Å; E799-I803 WeakPolarHBondContact O-CG1 3.27Å; E799-I803 PolarHBondContact O-N 2.9Å; I803-N805 VanDerWaalsContact C-N 3.35Å; I803-N805 PolarHBondContact O-N 3.42Å; I803-S806 PolarHBondContact O-N 2.93Å; I803-I807 HydrophobicContact CG2-CD1 3.9Å; I803-I807 WeakPolarHBondContact O-CB 3.5Å; I803-I807 VanDerWaalsContact O-CG1 3.28Å; I803-I807 WeakPolarHBondContact O-CG1 3.34Å; I803-I807 PolarHBondContact O-N 3.34Å; I803-L826 HydrophobicContact CD1-CD2 4.2Å; I803-F830 HydrophobicContact CB-CE1 4.36Å; I803-F830 HydrophobicContact CG2-CD1 4.26Å; I803-F830 HydrophobicContact CG2-CE1 4.08Å; I803-K831 HydrophobicContact CD1-CD 4.37Å; I803-K831 HydrophobicContact CD1-CG 4.18Å; I803-K831 HydrophobicContact CG2-CG 4.22Å
804	V	83.3	Confident	81.5	Confident	30 Å²	30	59.9 Å²	59.9	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-39	179.9	172.4	0	0	0	0	111.8	L800 E801 A802 K808 F830	L800-V804 WeakPolarHBondContact O-CG2 3.36Å; L800-V804 PolarHBondContact O-N 3.17Å; E801-V804 PolarHBondContact O-N 3.42Å; A802-V804 PolarHBondContact O-N 2.95Å; V804-K808 HydrophobicContact CG1-CD 4.41Å; V804-K808 WeakPolarHBondContact O-CG 3.38Å; V804-K808 PolarHBondContact O-N 3.14Å; V804-K808 VanDerWaalsContact O-N 3.09Å; V804-F830 HydrophobicContact CG2-CE1 3.94Å; V804-F830 HydrophobicContact CG2-CZ 3.72Å
805	N	81.4	Confident	82.2	Confident	58 Å²	58	54.5 Å²	54.5	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-70.1	-42	177.3	-73.9	-32.1	0	0	0	112	E801 A802 I803 I807 K808 R809	E801-N805 WeakPolarHBondContact O-CB 3.34Å; E801-N805 PolarHBondContact O-N 2.91Å; E801-N805 PolarHBondContact O-ND2 2.72Å; A802-N805 PolarHBondContact O-N 2.93Å; I803-N805 VanDerWaalsContact C-N 3.35Å; I803-N805 PolarHBondContact O-N 3.42Å; N805-I807 VanDerWaalsContact C-N 3.34Å; N805-I807 PolarHBondContact O-N 2.82Å; N805-K808 PolarHBondContact O-N 3.1Å; N805-R809 WeakPolarHBondContact O-CB 3.32Å; N805-R809 WeakPolarHBondContact O-CG 3.44Å; N805-R809 PolarHBondContact O-N 3.19Å
806	S	84.4	Confident	83.3	Confident	11 Å²	11	49 Å²	49	8%	0.077	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-37.5	174.2	-70	0	0	0	0	112.6	C787 F793 A802 I803 S810	C787-S806 PolarHBondContact SG-OG 2.93Å; F793-S806 WeakPolarHBondContact CE1-OG 3.3Å; A802-S806 WeakPolarHBondContact O-CB 3.4Å; A802-S806 PolarHBondContact O-N 3.32Å; A802-S806 PolarHBondContact O-OG 3.15Å; I803-S806 PolarHBondContact O-N 2.93Å; S806-S810 VanDerWaalsContact O-CB 3.26Å; S806-S810 WeakPolarHBondContact O-CB 3.47Å; S806-S810 PolarHBondContact O-N 3.48Å; S806-S810 PolarHBondContact O-OG 2.9Å
807	I	83.1	Confident	84.2	Confident	4 Å²	4	45 Å²	45	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-50.9	171.1	-75.2	169.1	0	0	0	110.4	Y759 I803 N805 S810 I813 H834 Q838	Y759-I807 HydrophobicContact CD1-CD1 4.5Å; Y759-I807 HydrophobicContact CD1-CG1 3.5Å; Y759-I807 HydrophobicContact CE1-CD1 4.12Å; Y759-I807 HydrophobicContact CE1-CG1 3.55Å; I803-I807 HydrophobicContact CG2-CD1 3.9Å; I803-I807 WeakPolarHBondContact O-CB 3.5Å; I803-I807 VanDerWaalsContact O-CG1 3.28Å; I803-I807 WeakPolarHBondContact O-CG1 3.34Å; I803-I807 PolarHBondContact O-N 3.34Å; N805-I807 VanDerWaalsContact C-N 3.34Å; N805-I807 PolarHBondContact O-N 2.82Å; I807-S810 PolarHBondContact O-N 2.73Å; I807-I813 HydrophobicContact CG1-CD1 4.4Å; I807-I813 HydrophobicContact CG2-CD1 3.93Å; I807-H834 HydrophobicContact CD1-CB 4Å; I807-Q838 HydrophobicContact CG2-CB 3.78Å; I807-Q838 HydrophobicContact CG2-CG 3.72Å
808	K	80	Confident	84.7	Confident	104 Å²	104	42.4 Å²	42.4	45%	0.452	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-37.7	-178.5	-73.2	179	177.1	-175	0	113.8	V804 N805 S810	V804-K808 HydrophobicContact CG1-CD 4.41Å; V804-K808 WeakPolarHBondContact O-CG 3.38Å; V804-K808 PolarHBondContact O-N 3.14Å; V804-K808 VanDerWaalsContact O-N 3.09Å; N805-K808 PolarHBondContact O-N 3.1Å; K808-S810 PolarHBondContact O-N 2.96Å
809	R	82.7	Confident	85.2	Confident	98 Å²	98	37 Å²	37	37%	0.37	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.8	178.4	-63.5	-167.9	-156.9	169.6	11.6	113.5	F754 E755 Y756 E794 N805	F754-R809 CarbonylContact C-O 3.41Å; E755-R809 HydrophobicContact CB-CB 4.2Å; E755-R809 PolarHBondContact N-O 2.69Å; E755-R809 WeakPolarHBondContact OE2-CD 3.34Å; E755-R809 IonicContact OE2-CZ 2.74Å; E755-R809 IonicContact OE2-NE 3.98Å; E755-R809 IonicContact OE2-NH1 3.78Å; E755-R809 PolarHBondContact OE2-NH1 3.31Å; Y756-R809 HydrophobicContact CD2-CB 4.12Å; Y756-R809 HydrophobicContact CE2-CB 4.48Å; Y756-R809 PolarHBondContact N-O 2.7Å; E794-R809 IonicContact OE1-CZ 3.62Å; E794-R809 IonicContact OE1-NH1 3.58Å; E794-R809 IonicContact OE1-NH2 3.57Å; E794-R809 PolarHBondContact OE1-NH2 2.78Å; E794-R809 VanDerWaalsContact OE1-NH2 3.11Å; N805-R809 WeakPolarHBondContact O-CB 3.32Å; N805-R809 WeakPolarHBondContact O-CG 3.44Å; N805-R809 PolarHBondContact O-N 3.19Å
810	S	84.6	Confident	85.7	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.014	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-114.1	132	-173.7	-64.2	0	0	0	0	113.9	F754 Y756 Y759 S806 I807 K808 K812	F754-S810 VanDerWaalsContact CD1-C 3.43Å; Y756-S810 WeakPolarHBondContact O-CA 3.15Å; Y759-S810 VanDerWaalsContact CB-OG 3.26Å; Y759-S810 WeakPolarHBondContact CB-OG 3.5Å; Y759-S810 PolarHBondContact N-OG 3.05Å; S806-S810 VanDerWaalsContact O-CB 3.26Å; S806-S810 WeakPolarHBondContact O-CB 3.47Å; S806-S810 PolarHBondContact O-N 3.48Å; S806-S810 PolarHBondContact O-OG 2.9Å; I807-S810 PolarHBondContact O-N 2.73Å; K808-S810 PolarHBondContact O-N 2.96Å; S810-K812 VanDerWaalsContact C-N 3.3Å; S810-K812 PolarHBondContact O-N 3.2Å
811	R	81.4	Confident	86.1	Confident	92 Å²	92	31.6 Å²	31.6	35%	0.347	15%	0.145	S	C	.	.	S	Bend	trans	-69.2	-24	-178.7	-168.5	178.2	75.3	-137	5.5	114.4	F754 Y756 L897	F754-R811 HydrophobicContact CB-CB 3.97Å; F754-R811 HydrophobicContact CD1-CB 4.42Å; F754-R811 HydrophobicContact CD2-CB 3.79Å; F754-R811 HydrophobicContact CD2-CG 3.81Å; F754-R811 HydrophobicContact CE2-CB 4.41Å; F754-R811 HydrophobicContact CE2-CG 4.13Å; F754-R811 HydrophobicContact CG-CB 3.79Å; F754-R811 HydrophobicContact CG-CG 4.34Å; Y756-R811 PolarHBondContact O-N 3.08Å; R811-L897 PolarHBondContact NH2-O 3.1Å
812	K	86.8	Confident	86.3	Confident	6 Å²	6	27 Å²	27	3%	0.026	12%	0.124	C	C	.	.			trans	-141.7	161.9	179.5	-62.3	-67.5	-164.7	-179.1	0	109.6	A757 A758 Y759 S810 D845 S846 I848 L897 S899	A757-K812 PolarHBondContact O-N 2.73Å; A758-K812 WeakPolarHBondContact CA-O 3.21Å; A758-K812 HydrophobicContact CB-CB 3.9Å; A758-K812 WeakPolarHBondContact CB-O 3.42Å; Y759-K812 PolarHBondContact N-O 3.29Å; Y759-K812 VanDerWaalsContact N-O 3.08Å; S810-K812 VanDerWaalsContact C-N 3.3Å; S810-K812 PolarHBondContact O-N 3.2Å; K812-D845 PolarHBondContact NZ-O 2.65Å; K812-S846 CarbonylContact C-O 3.05Å; K812-S846 VanDerWaalsContact CA-O 3.24Å; K812-S846 WeakPolarHBondContact CA-O 3.47Å; K812-S846 WeakPolarHBondContact CD-O 3.44Å; K812-I848 HydrophobicContact CB-CD1 4.4Å; K812-I848 HydrophobicContact CG-CD1 4.38Å; K812-L897 HydrophobicContact CB-CD2 4.28Å; K812-L897 HydrophobicContact CG-CD2 4.21Å; K812-S899 WeakPolarHBondContact CE-O 3.28Å; K812-S899 WeakPolarHBondContact CE-OG 3.41Å; K812-S899 PolarHBondContact NZ-O 2.76Å; K812-S899 PolarHBondContact NZ-OG 3.17Å
813	I	88.9	Confident	86.5	Confident	5 Å²	5	34 Å²	34	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121	173.2	-50.7	175.1	0	0	0	108.3	Y759 I761 I807 F815 A835 S846 I847 I848	Y759-I813 HydrophobicContact CD1-CG2 4.39Å; I761-I813 HydrophobicContact CD1-CG2 3.58Å; I761-I813 HydrophobicContact CG1-CG2 4.22Å; I807-I813 HydrophobicContact CG1-CD1 4.4Å; I807-I813 HydrophobicContact CG2-CD1 3.93Å; I813-F815 HydrophobicContact CG2-CD2 4.26Å; I813-F815 HydrophobicContact CG2-CE2 3.83Å; I813-A835 HydrophobicContact CD1-CB 3.63Å; I813-A835 HydrophobicContact CG2-CB 4.12Å; I813-S846 PolarHBondContact N-O 2.81Å; I813-I847 HydrophobicContact CB-CG1 4.48Å; I813-I847 CarbonylContact O-C 3.55Å; I813-I847 WeakPolarHBondContact O-CA 3.49Å; I813-I848 PolarHBondContact O-N 3.44Å
814	I	90.8	Very high	86.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.2	178	-66.9	172.9	0	0	0	108.7	A758 Y759 I760 I761 F774 F786 I816 I848 I850 L893 L897	A758-I814 HydrophobicContact CB-CD1 3.73Å; A758-I814 HydrophobicContact CB-CG1 3.89Å; Y759-I814 PolarHBondContact O-N 3.21Å; I760-I814 HydrophobicContact CG1-CB 4.28Å; I760-I814 HydrophobicContact CG1-CD1 4.32Å; I760-I814 HydrophobicContact CG2-CG2 4.3Å; I761-I814 PolarHBondContact N-O 2.86Å; F774-I814 HydrophobicContact CE1-CD1 3.83Å; F774-I814 HydrophobicContact CZ-CD1 4.23Å; F774-I814 HydrophobicContact CZ-CG2 4.41Å; F786-I814 HydrophobicContact CE1-CD1 4.13Å; I814-I816 HydrophobicContact CG2-CD1 3.7Å; I814-I848 CarbonylContact C-O 3.54Å; I814-I848 WeakPolarHBondContact CA-O 3.19Å; I814-I848 HydrophobicContact CG1-CB 4.2Å; I814-I848 HydrophobicContact CG1-CD1 4.41Å; I814-I850 HydrophobicContact CG2-CD1 3.49Å; I814-I850 VanDerWaalsContact CG2-CD1 3.49Å; I814-I850 HydrophobicContact CG2-CG1 4.09Å; I814-L893 HydrophobicContact CD1-CD1 4.24Å; I814-L897 HydrophobicContact CD1-CD2 4.29Å
815	F	91.6	Very high	86.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126	167.5	-73.1	-104.2	0	0	0	110.7	I761 I813 I817 L821 V832 A835 I847 I848 L849 I850	I761-F815 HydrophobicContact CB-CD1 4.1Å; I761-F815 HydrophobicContact CB-CE1 4.27Å; I761-F815 HydrophobicContact CB-CG 4.44Å; I761-F815 HydrophobicContact CD1-CD1 4.35Å; I761-F815 HydrophobicContact CD1-CE1 3.75Å; I761-F815 HydrophobicContact CD1-CE2 3.97Å; I761-F815 HydrophobicContact CD1-CZ 3.54Å; I761-F815 HydrophobicContact CG2-CD1 3.9Å; I761-F815 HydrophobicContact CG2-CE1 3.95Å; I761-F815 WeakPolarHBondContact O-CA 3.18Å; I813-F815 HydrophobicContact CG2-CD2 4.26Å; I813-F815 HydrophobicContact CG2-CE2 3.83Å; F815-I817 HydrophobicContact CB-CD1 3.65Å; F815-I817 HydrophobicContact CB-CG1 4.18Å; F815-I817 HydrophobicContact CG-CD1 4.45Å; F815-I817 PolarHBondContact O-N 3.06Å; F815-L821 HydrophobicContact CD1-CD2 4.19Å; F815-V832 HydrophobicContact CE1-CB 4.2Å; F815-V832 HydrophobicContact CE1-CG2 3.95Å; F815-V832 HydrophobicContact CZ-CB 4.38Å; F815-V832 HydrophobicContact CZ-CG2 3.96Å; F815-A835 HydrophobicContact CE2-CB 3.92Å; F815-A835 HydrophobicContact CZ-CB 3.65Å; F815-I847 HydrophobicContact CD2-CG2 3.85Å; F815-I847 HydrophobicContact CE2-CD1 4.42Å; F815-I847 HydrophobicContact CE2-CG2 4.01Å; F815-I848 PolarHBondContact N-O 3.26Å; F815-L849 HydrophobicContact CB-CD2 3.9Å; F815-L849 HydrophobicContact CD2-CD2 4.16Å; F815-L849 HydrophobicContact CG-CD2 4.25Å; F815-I850 PolarHBondContact O-N 3.41Å
816	I	91.7	Very high	86.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	92.6	171.9	-51.9	-54.4	0	0	0	108.5	I760 I761 H762 W769 V770 F774 I814 T818 L821 I850 L852	I760-I816 HydrophobicContact CG2-CD1 4.09Å; I760-I816 HydrophobicContact CG2-CG1 3.76Å; I761-I816 PolarHBondContact O-N 3.02Å; H762-I816 HydrophobicContact CB-CB 3.85Å; H762-I816 HydrophobicContact CB-CG1 3.86Å; W769-I816 HydrophobicContact CE3-CG2 4.38Å; W769-I816 HydrophobicContact CZ3-CD1 4.07Å; W769-I816 HydrophobicContact CZ3-CG2 4.15Å; V770-I816 HydrophobicContact CG2-CG1 3.97Å; F774-I816 HydrophobicContact CE2-CD1 4.13Å; F774-I816 HydrophobicContact CZ-CD1 4.29Å; I814-I816 HydrophobicContact CG2-CD1 3.7Å; I816-T818 HydrophobicContact CG2-CG2 4.46Å; I816-T818 PolarHBondContact O-N 3.24Å; I816-L821 WeakPolarHBondContact O-CD2 3.09Å; I816-I850 CarbonylContact C-O 3.6Å; I816-I850 HydrophobicContact CD1-CB 3.99Å; I816-I850 HydrophobicContact CD1-CD1 3.92Å; I816-I850 HydrophobicContact CD1-CG1 4.48Å; I816-I850 HydrophobicContact CD1-CG2 4.26Å; I816-L852 HydrophobicContact CG2-CD1 3.58Å; I816-L852 HydrophobicContact CG2-CD2 4.35Å; I816-L852 HydrophobicContact CG2-CG 3.8Å
817	I	91.3	Very high	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	102.4	-170.7	-55.9	-64.6	0	0	0	110.7	F815 L821 L849 I850 F851 L852 I855 L860 L864	F815-I817 HydrophobicContact CB-CD1 3.65Å; F815-I817 HydrophobicContact CB-CG1 4.18Å; F815-I817 HydrophobicContact CG-CD1 4.45Å; F815-I817 PolarHBondContact O-N 3.06Å; I817-L821 HydrophobicContact CD1-CD2 4.46Å; I817-L849 HydrophobicContact CD1-CD2 4.4Å; I817-L849 HydrophobicContact CG1-CB 4.4Å; I817-I850 PolarHBondContact N-O 2.81Å; I817-F851 HydrophobicContact CB-CD1 3.89Å; I817-F851 HydrophobicContact CB-CE1 4.11Å; I817-F851 HydrophobicContact CB-CG 4.22Å; I817-F851 HydrophobicContact CG1-CE1 4.4Å; I817-F851 HydrophobicContact CG1-CZ 4.43Å; I817-F851 HydrophobicContact CG2-CD1 3.57Å; I817-F851 HydrophobicContact CG2-CE1 3.55Å; I817-F851 HydrophobicContact CG2-CG 4.39Å; I817-F851 HydrophobicContact CG2-CZ 4.34Å; I817-L852 PolarHBondContact O-N 3.43Å; I817-I855 HydrophobicContact CG2-CB 4.4Å; I817-I855 HydrophobicContact CG2-CD1 3.67Å; I817-I855 HydrophobicContact CG2-CG2 4.25Å; I817-L860 HydrophobicContact CD1-CD1 3.95Å; I817-L860 HydrophobicContact CG2-CD1 4.07Å; I817-L864 HydrophobicContact CD1-CD1 4.02Å
818	T	90.9	Very high	86.8	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.025	19%	0.185	C	C	.	.			trans	-124.9	161.6	172.4	62	0	0	0	0	111.2	D766 I816 H820 L821 L822 L852	D766-T818 VanDerWaalsContact OD2-CG2 3.27Å; D766-T818 WeakPolarHBondContact OD2-CG2 3.25Å; D766-T818 PolarHBondContact OD2-OG1 3.47Å; I816-T818 HydrophobicContact CG2-CG2 4.46Å; I816-T818 PolarHBondContact O-N 3.24Å; T818-H820 PolarHBondContact O-N 3.09Å; T818-H820 VanDerWaalsContact O-N 3.1Å; T818-H820 PolarHBondContact OG1-N 3.46Å; T818-L821 PolarHBondContact O-N 3.22Å; T818-L821 VanDerWaalsContact O-N 3.14Å; T818-L821 PolarHBondContact OG1-N 2.94Å; T818-L822 WeakPolarHBondContact O-CG 3.35Å; T818-L822 PolarHBondContact O-N 2.67Å; T818-L852 HydrophobicContact CG2-CB 4.06Å; T818-L852 HydrophobicContact CG2-CD1 3.88Å; T818-L852 HydrophobicContact CG2-CG 4.11Å
819	H	88.8	Confident	86.8	Confident	56 Å²	56	45.4 Å²	45.4	26%	0.259	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.2	168.5	-76.4	89.5	0	0	0	112.9	K823 E853 K859	H819-K823 WeakPolarHBondContact O-CD 3.34Å; H819-K823 WeakPolarHBondContact O-CG 3.48Å; H819-E853 WeakPolarHBondContact CB-OE2 3.4Å; H819-E853 IonicContact CE1-OE2 2.62Å; H819-E853 IonicContact CG-OE2 3.8Å; H819-E853 PolarHBondContact N-OE2 3.2Å; H819-E853 IonicContact ND1-OE2 3.76Å; H819-E853 PolarHBondContact ND1-OE2 2.87Å; H819-K859 PolarHBondContact NE2-NZ 3.22Å
820	H	88.9	Confident	86.9	Confident	76 Å²	76	42.9 Å²	42.9	35%	0.352	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-47.8	168.8	-65.6	-27.4	0	0	0	111.5	A763 K765 T818 L822 K823 D824	A763-H820 HydrophobicContact CB-CB 3.86Å; K765-H820 WeakPolarHBondContact CD-CD2 2.95Å; K765-H820 VanDerWaalsContact CD-NE2 3.34Å; K765-H820 WeakPolarHBondContact CD-NE2 3.24Å; T818-H820 PolarHBondContact O-N 3.09Å; T818-H820 VanDerWaalsContact O-N 3.1Å; T818-H820 PolarHBondContact OG1-N 3.46Å; H820-L822 VanDerWaalsContact C-N 3.31Å; H820-L822 PolarHBondContact O-N 2.79Å; H820-K823 WeakPolarHBondContact O-CA 3.13Å; H820-K823 PolarHBondContact O-N 3.28Å; H820-D824 PolarHBondContact O-N 3.41Å; H820-D824 VanDerWaalsContact O-N 3.15Å
821	L	89.3	Confident	86.9	Confident	1 Å²	1	43 Å²	43	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-63.8	-36	174.2	-169.4	61.2	0	0	0	112.1	I761 A763 F815 I816 I817 T818 K823 D824 C827	I761-L821 HydrophobicContact CG2-CD1 4.2Å; I761-L821 HydrophobicContact CG2-CD2 4.27Å; A763-L821 HydrophobicContact CB-CB 4.34Å; F815-L821 HydrophobicContact CD1-CD2 4.19Å; I816-L821 WeakPolarHBondContact O-CD2 3.09Å; I817-L821 HydrophobicContact CD1-CD2 4.46Å; T818-L821 PolarHBondContact O-N 3.22Å; T818-L821 VanDerWaalsContact O-N 3.14Å; T818-L821 PolarHBondContact OG1-N 2.94Å; L821-K823 PolarHBondContact O-N 3.28Å; L821-D824 HydrophobicContact CD1-CB 4.24Å; L821-D824 PolarHBondContact O-N 3.1Å; L821-C827 HydrophobicContact CD1-CB 3.65Å; L821-C827 VanDerWaalsContact CD1-SG 3.57Å
822	L	86.9	Confident	87.1	Confident	12 Å²	12	38.8 Å²	38.8	6%	0.063	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-64.5	-0.9	170.8	-63.5	176.8	0	0	0	114.3	T818 H820 K828 I855 K859 L860 A863 L864	T818-L822 WeakPolarHBondContact O-CG 3.35Å; T818-L822 PolarHBondContact O-N 2.67Å; H820-L822 VanDerWaalsContact C-N 3.31Å; H820-L822 PolarHBondContact O-N 2.79Å; L822-K828 WeakPolarHBondContact O-CE 3.26Å; L822-K828 PolarHBondContact O-NZ 2.73Å; L822-I855 HydrophobicContact CD1-CB 4.44Å; L822-I855 HydrophobicContact CD1-CD1 3.62Å; L822-I855 HydrophobicContact CD1-CG1 3.83Å; L822-I855 HydrophobicContact CD1-CG2 3.76Å; L822-I855 HydrophobicContact CG-CD1 4.34Å; L822-K859 HydrophobicContact CD1-CB 4.44Å; L822-L860 HydrophobicContact CD2-CD1 4.26Å; L822-A863 HydrophobicContact CB-CB 4.17Å; L822-A863 HydrophobicContact CD2-CB 3.58Å; L822-A863 HydrophobicContact CG-CB 4.45Å; L822-L864 HydrophobicContact CD2-CD1 3.99Å; L822-L864 HydrophobicContact CD2-CG 4.22Å
823	K	86.4	Confident	86.9	Confident	154 Å²	154	43.4 Å²	43.4	67%	0.67	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-121	-13	175.8	-71.2	179.2	-178.5	178.8	0	113.9	H819 H820 L821 P825	H819-K823 WeakPolarHBondContact O-CD 3.34Å; H819-K823 WeakPolarHBondContact O-CG 3.48Å; H820-K823 WeakPolarHBondContact O-CA 3.13Å; H820-K823 PolarHBondContact O-N 3.28Å; L821-K823 PolarHBondContact O-N 3.28Å; K823-P825 WeakPolarHBondContact O-CD 3.27Å
824	D	86.1	Confident	86.6	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.171	21%	0.212	C	C	.	.			trans	-60.4	116.9	178.3	175.6	0.1	0	0	0	111.7	H820 L821 L826 C827 K828	H820-D824 PolarHBondContact O-N 3.41Å; H820-D824 VanDerWaalsContact O-N 3.15Å; L821-D824 HydrophobicContact CD1-CB 4.24Å; L821-D824 PolarHBondContact O-N 3.1Å; D824-L826 VanDerWaalsContact C-N 3.32Å; D824-L826 PolarHBondContact O-N 2.57Å; D824-L826 WeakPolarHBondContact OD1-CA 3.38Å; D824-L826 WeakPolarHBondContact OD1-CB 3.42Å; D824-L826 PolarHBondContact OD1-N 2.79Å; D824-C827 HydrophobicContact CB-CB 3.84Å; D824-C827 PolarHBondContact OD1-N 3.31Å; D824-C827 WeakPolarHBondContact OD2-CB 3.36Å; D824-C827 PolarHBondContact OD2-N 2.87Å; D824-K828 WeakPolarHBondContact O-CB 3.27Å; D824-K828 VanDerWaalsContact O-CG 3.24Å; D824-K828 WeakPolarHBondContact O-CG 3.39Å; D824-K828 PolarHBondContact O-N 2.86Å
825	P	85.1	Confident	86.1	Confident	86 Å²	86	46.1 Å²	46.1	56%	0.558	21%	0.212	S	C	*	.	H	α-helix	trans	-64.2	-32.7	178.2	-20.5	33.4	0	0	0	114.1	K823 R829	K823-P825 WeakPolarHBondContact O-CD 3.27Å; P825-R829 WeakPolarHBondContact O-CB 3.36Å; P825-R829 WeakPolarHBondContact O-CG 3.44Å; P825-R829 PolarHBondContact O-N 3.3Å
826	L	82.1	Confident	85.6	Confident	46 Å²	46	47.7 Å²	47.7	24%	0.241	22%	0.222	C	C	.	.	H	α-helix	trans	-77.3	-42.7	-177	-176.6	64.5	0	0	0	110.7	E799 L800 I803 D824 K828 F830 K831	E799-L826 WeakPolarHBondContact OE1-CD2 3.36Å; L800-L826 HydrophobicContact CD2-CD1 3.75Å; I803-L826 HydrophobicContact CD1-CD2 4.2Å; D824-L826 VanDerWaalsContact C-N 3.32Å; D824-L826 PolarHBondContact O-N 2.57Å; D824-L826 WeakPolarHBondContact OD1-CA 3.38Å; D824-L826 WeakPolarHBondContact OD1-CB 3.42Å; D824-L826 PolarHBondContact OD1-N 2.79Å; L826-K828 PolarHBondContact O-N 3.08Å; L826-F830 HydrophobicContact CD1-CB 4.23Å; L826-F830 WeakPolarHBondContact O-CA 3.26Å; L826-F830 WeakPolarHBondContact O-CB 3.38Å; L826-F830 PolarHBondContact O-N 2.65Å; L826-K831 HydrophobicContact CG-CG 4.4Å; L826-K831 PolarHBondContact O-N 2.88Å; L826-K831 VanDerWaalsContact O-N 3.12Å
827	C	84.9	Confident	85	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-57.7	-48.9	171.7	-176.3	0	0	0	0	111.5	L821 D824 K831 V832	L821-C827 HydrophobicContact CD1-CB 3.65Å; L821-C827 VanDerWaalsContact CD1-SG 3.57Å; D824-C827 HydrophobicContact CB-CB 3.84Å; D824-C827 PolarHBondContact OD1-N 3.31Å; D824-C827 WeakPolarHBondContact OD2-CB 3.36Å; D824-C827 PolarHBondContact OD2-N 2.87Å; C827-K831 PolarHBondContact O-N 3.39Å; C827-V832 WeakPolarHBondContact O-CB 3.5Å; C827-V832 VanDerWaalsContact O-CG1 3.32Å; C827-V832 WeakPolarHBondContact O-CG1 3.49Å; C827-V832 PolarHBondContact O-N 2.87Å
828	K	82.8	Confident	84.2	Confident	72 Å²	72	53.5 Å²	53.5	31%	0.313	25%	0.249	S	C	.	.	I	π-helix	trans	-61.7	-45.9	-179.8	-73	-172.4	173.9	175.7	0	114.6	L822 D824 L826 H833 A863 L864	L822-K828 WeakPolarHBondContact O-CE 3.26Å; L822-K828 PolarHBondContact O-NZ 2.73Å; D824-K828 WeakPolarHBondContact O-CB 3.27Å; D824-K828 VanDerWaalsContact O-CG 3.24Å; D824-K828 WeakPolarHBondContact O-CG 3.39Å; D824-K828 PolarHBondContact O-N 2.86Å; L826-K828 PolarHBondContact O-N 3.08Å; K828-H833 PolarHBondContact O-CD2 3.3Å; K828-A863 WeakPolarHBondContact CG-O 3.45Å; K828-L864 HydrophobicContact CG-CD2 4.22Å
829	R	81.4	Confident	83.4	Confident	212 Å²	212	53.3 Å²	53.3	80%	0.8	25%	0.248	S	C	*	.	I	π-helix	trans	-87.4	-20.1	-172.9	-69.4	177.8	172	179.8	-2.8	113.4	P825	P825-R829 WeakPolarHBondContact O-CB 3.36Å; P825-R829 WeakPolarHBondContact O-CG 3.44Å; P825-R829 PolarHBondContact O-N 3.3Å
830	F	83.3	Confident	82.5	Confident	45 Å²	45	56.4 Å²	56.4	20%	0.197	27%	0.265	C	S	.	.	I	π-helix	trans	-137.6	-65.4	-170.5	-165.6	-101.4	0	0	0	113.7	L800 I803 V804 L826 V832 H833 H834	L800-F830 HydrophobicContact CB-CE1 4.02Å; L800-F830 HydrophobicContact CB-CZ 3.97Å; L800-F830 HydrophobicContact CD2-CB 4.44Å; L800-F830 HydrophobicContact CD2-CD1 3.57Å; L800-F830 HydrophobicContact CD2-CD2 4.13Å; L800-F830 HydrophobicContact CD2-CE1 3.72Å; L800-F830 HydrophobicContact CD2-CE2 4.26Å; L800-F830 HydrophobicContact CD2-CG 3.78Å; L800-F830 HydrophobicContact CD2-CZ 4.05Å; L800-F830 HydrophobicContact CG-CE1 4.47Å; I803-F830 HydrophobicContact CB-CE1 4.36Å; I803-F830 HydrophobicContact CG2-CD1 4.26Å; I803-F830 HydrophobicContact CG2-CE1 4.08Å; V804-F830 HydrophobicContact CG2-CE1 3.94Å; V804-F830 HydrophobicContact CG2-CZ 3.72Å; L826-F830 HydrophobicContact CD1-CB 4.23Å; L826-F830 WeakPolarHBondContact O-CA 3.26Å; L826-F830 WeakPolarHBondContact O-CB 3.38Å; L826-F830 PolarHBondContact O-N 2.65Å; F830-V832 VanDerWaalsContact C-N 3.29Å; F830-V832 PolarHBondContact O-N 3.36Å; F830-H833 PolarHBondContact O-N 2.87Å; F830-H833 VanDerWaalsContact O-N 3.09Å; F830-H834 AromaticContact CD2-CD2 3.85Å; F830-H834 AromaticContact CE1-CD2 3.83Å; F830-H834 AromaticContact CE2-CD2 3.39Å; F830-H834 WeakPolarHBondContact CE2-CD2 3.24Å; F830-H834 AromaticContact CE2-NE2 3.43Å; F830-H834 WeakPolarHBondContact CE2-NE2 3.5Å; F830-H834 AromaticContact CZ-CD2 3.38Å; F830-H834 WeakPolarHBondContact CZ-CD2 3.45Å; F830-H834 AromaticContact CZ-NE2 3.58Å; F830-H834 PolarHBondContact O-N 3.06Å; F830-H834 VanDerWaalsContact O-N 3.1Å
831	K	85.8	Confident	81.6	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.022	27%	0.27	C	S	.	.	I	π-helix	trans	-57.1	-41.9	-169.3	-50.8	-173.2	174.7	-178.7	0	112	I761 E789 I803 L826 C827 A835	I761-K831 HydrophobicContact CD1-CB 4.14Å; I761-K831 HydrophobicContact CG2-CB 4.38Å; I761-K831 HydrophobicContact CG2-CD 4.05Å; E789-K831 IonicContact OE1-NZ 3.6Å; E789-K831 PolarHBondContact OE1-NZ 2.89Å; E789-K831 IonicContact OE2-NZ 2.85Å; E789-K831 PolarHBondContact OE2-NZ 2.83Å; I803-K831 HydrophobicContact CD1-CD 4.37Å; I803-K831 HydrophobicContact CD1-CG 4.18Å; I803-K831 HydrophobicContact CG2-CG 4.22Å; L826-K831 HydrophobicContact CG-CG 4.4Å; L826-K831 PolarHBondContact O-N 2.88Å; L826-K831 VanDerWaalsContact O-N 3.12Å; C827-K831 PolarHBondContact O-N 3.39Å; K831-A835 WeakPolarHBondContact O-CB 3.17Å; K831-A835 PolarHBondContact O-N 2.87Å
832	V	85.3	Confident	80.4	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-71.3	-36.6	-179.9	78	0	0	0	0	113.4	F815 C827 F830 A835 V836 L864 L866	F815-V832 HydrophobicContact CE1-CB 4.2Å; F815-V832 HydrophobicContact CE1-CG2 3.95Å; F815-V832 HydrophobicContact CZ-CB 4.38Å; F815-V832 HydrophobicContact CZ-CG2 3.96Å; C827-V832 WeakPolarHBondContact O-CB 3.5Å; C827-V832 VanDerWaalsContact O-CG1 3.32Å; C827-V832 WeakPolarHBondContact O-CG1 3.49Å; C827-V832 PolarHBondContact O-N 2.87Å; F830-V832 VanDerWaalsContact C-N 3.29Å; F830-V832 PolarHBondContact O-N 3.36Å; V832-A835 PolarHBondContact O-N 2.81Å; V832-V836 HydrophobicContact CG2-CG2 4.26Å; V832-V836 WeakPolarHBondContact O-CB 3.38Å; V832-V836 VanDerWaalsContact O-CG2 3.27Å; V832-V836 WeakPolarHBondContact O-CG2 3.06Å; V832-V836 PolarHBondContact O-N 2.86Å; V832-L864 HydrophobicContact CB-CD2 4.25Å; V832-L864 HydrophobicContact CG1-CD2 4.3Å; V832-L864 HydrophobicContact CG2-CB 4.13Å; V832-L864 HydrophobicContact CG2-CD2 4.41Å; V832-L864 VanDerWaalsContact CG2-O 3.3Å; V832-L864 WeakPolarHBondContact CG2-O 3.13Å; V832-L866 HydrophobicContact CG2-CD1 4.37Å; V832-L866 HydrophobicContact CG2-CG 4.27Å
833	H	82.1	Confident	79.3	Confident	104 Å²	104	62.4 Å²	62.4	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-67.7	-44.8	179.2	-76.6	-70	0	0	0	111.5	K828 F830 V836 Q837	K828-H833 PolarHBondContact O-CD2 3.3Å; F830-H833 PolarHBondContact O-N 2.87Å; F830-H833 VanDerWaalsContact O-N 3.09Å; H833-V836 PolarHBondContact O-N 3.44Å; H833-Q837 WeakPolarHBondContact O-CB 3.23Å; H833-Q837 PolarHBondContact O-N 3.02Å
834	H	82.8	Confident	78.2	Confident	62 Å²	62	57.9 Å²	57.9	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-67	-39.5	174.7	-88.4	-69	0	0	0	112.8	I807 F830 Q837 Q838	I807-H834 HydrophobicContact CD1-CB 4Å; F830-H834 AromaticContact CD2-CD2 3.85Å; F830-H834 AromaticContact CE1-CD2 3.83Å; F830-H834 AromaticContact CE2-CD2 3.39Å; F830-H834 WeakPolarHBondContact CE2-CD2 3.24Å; F830-H834 AromaticContact CE2-NE2 3.43Å; F830-H834 WeakPolarHBondContact CE2-NE2 3.5Å; F830-H834 AromaticContact CZ-CD2 3.38Å; F830-H834 WeakPolarHBondContact CZ-CD2 3.45Å; F830-H834 AromaticContact CZ-NE2 3.58Å; F830-H834 PolarHBondContact O-N 3.06Å; F830-H834 VanDerWaalsContact O-N 3.1Å; H834-Q837 PolarHBondContact O-N 2.85Å; H834-Q838 WeakPolarHBondContact O-CB 3.48Å; H834-Q838 PolarHBondContact O-N 3.44Å
835	A	81.1	Confident	77	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-43.1	175.6	0	0	0	0	0	112.5	I761 I813 F815 K831 V832 A839	I761-A835 HydrophobicContact CD1-CB 4.18Å; I813-A835 HydrophobicContact CD1-CB 3.63Å; I813-A835 HydrophobicContact CG2-CB 4.12Å; F815-A835 HydrophobicContact CE2-CB 3.92Å; F815-A835 HydrophobicContact CZ-CB 3.65Å; K831-A835 WeakPolarHBondContact O-CB 3.17Å; K831-A835 PolarHBondContact O-N 2.87Å; V832-A835 PolarHBondContact O-N 2.81Å; A835-A839 WeakPolarHBondContact O-CB 3.36Å; A835-A839 PolarHBondContact O-N 3.49Å
836	V	79.8	Confident	76.5	Confident	33 Å²	33	53.3 Å²	53.3	20%	0.2	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-38.2	176.1	170.4	0	0	0	0	111.5	V832 H833 A839 I840 I847 L866	V832-V836 HydrophobicContact CG2-CG2 4.26Å; V832-V836 WeakPolarHBondContact O-CB 3.38Å; V832-V836 VanDerWaalsContact O-CG2 3.27Å; V832-V836 WeakPolarHBondContact O-CG2 3.06Å; V832-V836 PolarHBondContact O-N 2.86Å; H833-V836 PolarHBondContact O-N 3.44Å; V836-A839 PolarHBondContact O-N 2.9Å; V836-I840 HydrophobicContact CG1-CD1 3.93Å; V836-I840 VanDerWaalsContact O-CG1 3.32Å; V836-I840 WeakPolarHBondContact O-CG1 3.1Å; V836-I840 PolarHBondContact O-N 3.07Å; V836-I847 HydrophobicContact CG2-CD1 4.29Å; V836-L866 HydrophobicContact CG2-CD2 3.54Å
837	Q	79.6	Confident	76.7	Confident	100 Å²	100	51.1 Å²	51.1	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-52.2	174.6	-180	177	-15.4	0	0	111.4	H833 H834 A839 I840 E841	H833-Q837 WeakPolarHBondContact O-CB 3.23Å; H833-Q837 PolarHBondContact O-N 3.02Å; H834-Q837 PolarHBondContact O-N 2.85Å; Q837-A839 PolarHBondContact O-N 3.11Å; Q837-I840 PolarHBondContact O-N 3.29Å; Q837-E841 WeakPolarHBondContact CG-OE1 3.43Å; Q837-E841 PolarHBondContact NE2-OE1 2.9Å; Q837-E841 WeakPolarHBondContact O-CG 3.48Å; Q837-E841 PolarHBondContact O-N 2.98Å
838	Q	75.8	Confident	76.8	Confident	22 Å²	22	51.1 Å²	51.1	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-37.5	176.1	-166.6	79.1	23.2	0	0	110.9	I807 H834 E841 Q842	I807-Q838 HydrophobicContact CG2-CB 3.78Å; I807-Q838 HydrophobicContact CG2-CG 3.72Å; H834-Q838 WeakPolarHBondContact O-CB 3.48Å; H834-Q838 PolarHBondContact O-N 3.44Å; Q838-E841 CarbonylContact O-C 3.51Å; Q838-E841 PolarHBondContact O-N 2.91Å; Q838-Q842 WeakPolarHBondContact O-CB 3.43Å; Q838-Q842 PolarHBondContact O-N 3.33Å
839	A	72.7	Confident	77.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-71.8	-26.5	176.7	0	0	0	0	0	114.4	A835 V836 Q837 N843 L844 S846 I847	A835-A839 WeakPolarHBondContact O-CB 3.36Å; A835-A839 PolarHBondContact O-N 3.49Å; V836-A839 PolarHBondContact O-N 2.9Å; Q837-A839 PolarHBondContact O-N 3.11Å; A839-N843 CarbonylContact O-C 3.59Å; A839-N843 WeakPolarHBondContact O-CA 3.4Å; A839-N843 PolarHBondContact O-N 2.84Å; A839-N843 VanDerWaalsContact O-O 3.11Å; A839-L844 PolarHBondContact O-N 3.37Å; A839-S846 VanDerWaalsContact CA-OG 3.25Å; A839-S846 WeakPolarHBondContact CA-OG 3.45Å; A839-S846 WeakPolarHBondContact CB-OG 3.42Å; A839-I847 HydrophobicContact CB-CD1 3.55Å; A839-I847 HydrophobicContact CB-CG1 3.71Å
840	I	70.2	Confident	77.6	Confident	120 Å²	120	37.6 Å²	37.6	62%	0.615	19%	0.185	S	C	*	.	H	α-helix	trans	-73.8	-42.9	169.2	-70.1	163.3	0	0	0	109.3	V836 Q837 Q842 L844	V836-I840 HydrophobicContact CG1-CD1 3.93Å; V836-I840 VanDerWaalsContact O-CG1 3.32Å; V836-I840 WeakPolarHBondContact O-CG1 3.1Å; V836-I840 PolarHBondContact O-N 3.07Å; Q837-I840 PolarHBondContact O-N 3.29Å; I840-Q842 VanDerWaalsContact C-N 3.33Å; I840-Q842 PolarHBondContact O-N 3.35Å; I840-L844 HydrophobicContact CG1-CD2 4.3Å
841	E	69.5	Low	78	Confident	101 Å²	101	35.7 Å²	35.7	47%	0.472	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-27.6	178.6	-68.9	174.4	-160.1	0	0	113.5	R749 Q837 Q838	R749-E841 PolarHBondContact NH2-O 3.06Å; Q837-E841 WeakPolarHBondContact CG-OE1 3.43Å; Q837-E841 PolarHBondContact NE2-OE1 2.9Å; Q837-E841 WeakPolarHBondContact O-CG 3.48Å; Q837-E841 PolarHBondContact O-N 2.98Å; Q838-E841 CarbonylContact O-C 3.51Å; Q838-E841 PolarHBondContact O-N 2.91Å
842	Q	65	Low	78.2	Confident	37 Å²	37	37.7 Å²	37.7	17%	0.173	19%	0.187	C	C	.	.	H	α-helix	trans	-113.7	5.6	-179.6	-61.5	-166	-9.1	0	0	115.1	E752 Q838 I840 N901	E752-Q842 PolarHBondContact OE2-NE2 2.97Å; Q838-Q842 WeakPolarHBondContact O-CB 3.43Å; Q838-Q842 PolarHBondContact O-N 3.33Å; I840-Q842 VanDerWaalsContact C-N 3.33Å; I840-Q842 PolarHBondContact O-N 3.35Å; Q842-N901 PolarHBondContact O-ND2 3.35Å; Q842-N901 VanDerWaalsContact O-ND2 3.1Å
843	N	62.7	Low	78.2	Confident	78 Å²	78	41.3 Å²	41.3	42%	0.417	20%	0.204	S	C	.	.			trans	76.1	143.5	-172.1	-160.5	15.6	0	0	0	115.3	A839 D845 S846	A839-N843 CarbonylContact O-C 3.59Å; A839-N843 WeakPolarHBondContact O-CA 3.4Å; A839-N843 PolarHBondContact O-N 2.84Å; A839-N843 VanDerWaalsContact O-O 3.11Å; N843-D845 PolarHBondContact O-N 3.13Å; N843-D845 VanDerWaalsContact O-N 3.1Å; N843-S846 WeakPolarHBondContact O-CB 3.44Å; N843-S846 PolarHBondContact O-N 3.23Å; N843-S846 VanDerWaalsContact O-N 3.14Å; N843-S846 PolarHBondContact O-OG 2.91Å
844	L	63.5	Low	78.3	Confident	59 Å²	59	45.4 Å²	45.4	31%	0.309	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-65.1	-20	-161.8	-70	171.5	0	0	0	114.9	A839 I840 S846 I847	A839-L844 PolarHBondContact O-N 3.37Å; I840-L844 HydrophobicContact CG1-CD2 4.3Å; L844-S846 PolarHBondContact O-N 2.92Å; L844-I847 PolarHBondContact O-N 2.82Å
845	D	61.6	Low	78.4	Confident	14 Å²	14	42.7 Å²	42.7	8%	0.075	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.6	-7.2	174.6	-66.7	-16.9	0	0	0	113.3	K812 N843 I847 K872	K812-D845 PolarHBondContact NZ-O 2.65Å; N843-D845 PolarHBondContact O-N 3.13Å; N843-D845 VanDerWaalsContact O-N 3.1Å; D845-I847 VanDerWaalsContact C-N 3.33Å; D845-K872 WeakPolarHBondContact OD1-CD 3.49Å; D845-K872 WeakPolarHBondContact OD1-CE 3.16Å; D845-K872 WeakPolarHBondContact OD1-CG 3.35Å; D845-K872 IonicContact OD1-NZ 2.69Å; D845-K872 PolarHBondContact OD1-NZ 3.43Å; D845-K872 WeakPolarHBondContact OD2-CE 3.5Å; D845-K872 IonicContact OD2-NZ 3.93Å; D845-K872 PolarHBondContact OD2-NZ 3.21Å
846	S	74.2	Confident	78.5	Confident	8 Å²	8	44.9 Å²	44.9	6%	0.056	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-69.5	-22.6	174.7	49.5	0	0	0	0	114.1	K812 I813 A839 N843 L844	K812-S846 CarbonylContact C-O 3.05Å; K812-S846 VanDerWaalsContact CA-O 3.24Å; K812-S846 WeakPolarHBondContact CA-O 3.47Å; K812-S846 WeakPolarHBondContact CD-O 3.44Å; I813-S846 PolarHBondContact N-O 2.81Å; A839-S846 VanDerWaalsContact CA-OG 3.25Å; A839-S846 WeakPolarHBondContact CA-OG 3.45Å; A839-S846 WeakPolarHBondContact CB-OG 3.42Å; N843-S846 WeakPolarHBondContact O-CB 3.44Å; N843-S846 PolarHBondContact O-N 3.23Å; N843-S846 VanDerWaalsContact O-N 3.14Å; N843-S846 PolarHBondContact O-OG 2.91Å; L844-S846 PolarHBondContact O-N 2.92Å
847	I	86.1	Confident	78.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.8	179.1	-62.4	177.6	0	0	0	111.4	I813 F815 V836 A839 L844 D845 L849 F871 C875	I813-I847 HydrophobicContact CB-CG1 4.48Å; I813-I847 CarbonylContact O-C 3.55Å; I813-I847 WeakPolarHBondContact O-CA 3.49Å; F815-I847 HydrophobicContact CD2-CG2 3.85Å; F815-I847 HydrophobicContact CE2-CD1 4.42Å; F815-I847 HydrophobicContact CE2-CG2 4.01Å; V836-I847 HydrophobicContact CG2-CD1 4.29Å; A839-I847 HydrophobicContact CB-CD1 3.55Å; A839-I847 HydrophobicContact CB-CG1 3.71Å; L844-I847 PolarHBondContact O-N 2.82Å; D845-I847 VanDerWaalsContact C-N 3.33Å; I847-L849 HydrophobicContact CG2-CD2 3.8Å; I847-L849 HydrophobicContact CG2-CG 4.5Å; I847-F871 HydrophobicContact CB-CD1 4.32Å; I847-F871 HydrophobicContact CB-CE1 3.68Å; I847-F871 HydrophobicContact CB-CZ 4.3Å; I847-F871 HydrophobicContact CD1-CE1 4.17Å; I847-F871 HydrophobicContact CD1-CZ 4.33Å; I847-F871 HydrophobicContact CG1-CE1 4.42Å; I847-F871 HydrophobicContact CG2-CE1 3.89Å; I847-F871 HydrophobicContact CG2-CZ 4.05Å; I847-C875 WeakPolarHBondContact O-CB 3.5Å
848	I	88	Confident	78.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.9	172.6	-58.3	169.2	0	0	0	108.6	K812 I813 I814 F815 I850 C875 L877 L893 A896 L897	K812-I848 HydrophobicContact CB-CD1 4.4Å; K812-I848 HydrophobicContact CG-CD1 4.38Å; I813-I848 PolarHBondContact O-N 3.44Å; I814-I848 CarbonylContact C-O 3.54Å; I814-I848 WeakPolarHBondContact CA-O 3.19Å; I814-I848 HydrophobicContact CG1-CB 4.2Å; I814-I848 HydrophobicContact CG1-CD1 4.41Å; F815-I848 PolarHBondContact N-O 3.26Å; I848-I850 HydrophobicContact CG2-CG1 4.4Å; I848-C875 WeakPolarHBondContact CA-O 3.39Å; I848-L877 HydrophobicContact CG2-CD1 4.03Å; I848-L893 HydrophobicContact CG2-CD1 4.35Å; I848-A896 HydrophobicContact CD1-CB 3.77Å; I848-A896 HydrophobicContact CG1-CB 4.19Å; I848-A896 HydrophobicContact CG2-CB 4.38Å; I848-L897 HydrophobicContact CD1-CD2 3.98Å; I848-L897 HydrophobicContact CD1-CG 4.16Å
849	L	90.1	Very high	78.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.3	177.9	-54.6	-175.3	0	0	0	110.1	F815 I817 I847 F851 L860 L866 F871 C875 L877	F815-L849 HydrophobicContact CB-CD2 3.9Å; F815-L849 HydrophobicContact CD2-CD2 4.16Å; F815-L849 HydrophobicContact CG-CD2 4.25Å; I817-L849 HydrophobicContact CD1-CD2 4.4Å; I817-L849 HydrophobicContact CG1-CB 4.4Å; I847-L849 HydrophobicContact CG2-CD2 3.8Å; I847-L849 HydrophobicContact CG2-CG 4.5Å; L849-F851 HydrophobicContact CB-CD2 4.34Å; L849-F851 HydrophobicContact CB-CE2 3.7Å; L849-F851 HydrophobicContact CB-CZ 4.43Å; L849-F851 HydrophobicContact CD1-CE2 4.2Å; L849-F851 HydrophobicContact CD1-CZ 4.27Å; L849-L860 HydrophobicContact CD1-CD2 4.27Å; L849-L866 HydrophobicContact CD2-CD1 3.92Å; L849-F871 HydrophobicContact CD1-CD2 3.78Å; L849-F871 HydrophobicContact CD1-CE2 3.82Å; L849-F871 HydrophobicContact CG-CD2 4.38Å; L849-F871 HydrophobicContact CG-CE2 4.39Å; L849-C875 PolarHBondContact N-O 3.07Å; L849-L877 PolarHBondContact O-N 3.38Å
850	I	91.4	Very high	79.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.8	174.8	-62.4	173.2	0	0	0	108.4	F774 I814 F815 I816 I817 I848 L852 L877 F889 L893	F774-I850 HydrophobicContact CZ-CD1 3.91Å; I814-I850 HydrophobicContact CG2-CD1 3.49Å; I814-I850 VanDerWaalsContact CG2-CD1 3.49Å; I814-I850 HydrophobicContact CG2-CG1 4.09Å; F815-I850 PolarHBondContact O-N 3.41Å; I816-I850 CarbonylContact C-O 3.6Å; I816-I850 HydrophobicContact CD1-CB 3.99Å; I816-I850 HydrophobicContact CD1-CD1 3.92Å; I816-I850 HydrophobicContact CD1-CG1 4.48Å; I816-I850 HydrophobicContact CD1-CG2 4.26Å; I817-I850 PolarHBondContact N-O 2.81Å; I848-I850 HydrophobicContact CG2-CG1 4.4Å; I850-L852 HydrophobicContact CG2-CD2 3.98Å; I850-L877 CarbonylContact C-O 3.6Å; I850-L877 WeakPolarHBondContact CA-O 3.46Å; I850-L877 HydrophobicContact CG1-CB 4.32Å; I850-L877 HydrophobicContact CG1-CD1 4.39Å; I850-F889 HydrophobicContact CD1-CZ 4.04Å; I850-F889 HydrophobicContact CG1-CZ 4.16Å; I850-F889 HydrophobicContact CG2-CE2 4.06Å; I850-F889 HydrophobicContact CG2-CZ 3.7Å; I850-L893 HydrophobicContact CD1-CD1 4.08Å; I850-L893 HydrophobicContact CD1-CD2 4.25Å
851	F	91.4	Very high	79.7	Confident	5 Å²	5	48.1 Å²	48.1	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.5	177	-67.4	-99.1	0	0	0	110.1	I817 L849 I855 L860 R868 I876 L877 W879	I817-F851 HydrophobicContact CB-CD1 3.89Å; I817-F851 HydrophobicContact CB-CE1 4.11Å; I817-F851 HydrophobicContact CB-CG 4.22Å; I817-F851 HydrophobicContact CG1-CE1 4.4Å; I817-F851 HydrophobicContact CG1-CZ 4.43Å; I817-F851 HydrophobicContact CG2-CD1 3.57Å; I817-F851 HydrophobicContact CG2-CE1 3.55Å; I817-F851 HydrophobicContact CG2-CG 4.39Å; I817-F851 HydrophobicContact CG2-CZ 4.34Å; L849-F851 HydrophobicContact CB-CD2 4.34Å; L849-F851 HydrophobicContact CB-CE2 3.7Å; L849-F851 HydrophobicContact CB-CZ 4.43Å; L849-F851 HydrophobicContact CD1-CE2 4.2Å; L849-F851 HydrophobicContact CD1-CZ 4.27Å; F851-I855 HydrophobicContact CD1-CB 4.12Å; F851-I855 HydrophobicContact CE1-CB 4.17Å; F851-I855 HydrophobicContact CE1-CG2 4.2Å; F851-L860 HydrophobicContact CZ-CD2 4.05Å; F851-R868 HydrophobicContact CZ-CG 4.38Å; F851-I876 HydrophobicContact CD2-CG2 4.35Å; F851-I876 HydrophobicContact CE2-CG2 3.99Å; F851-L877 PolarHBondContact N-O 2.85Å; F851-W879 PolarHBondContact O-N 3.43Å
852	L	88.8	Confident	80.3	Confident	46 Å²	46	51.2 Å²	51.2	24%	0.241	25%	0.246	C	C	.	.	S	Bend	trans	-84.2	-21.2	169.3	-50.9	-171.5	0	0	0	111.9	W769 I816 I817 T818 I850 W879	W769-L852 HydrophobicContact CD2-CD1 3.89Å; W769-L852 HydrophobicContact CD2-CD2 4.39Å; W769-L852 HydrophobicContact CE3-CD1 3.8Å; W769-L852 HydrophobicContact CE3-CD2 4.29Å; W769-L852 HydrophobicContact CG-CD1 4.49Å; W769-L852 HydrophobicContact CH2-CD2 3.6Å; W769-L852 HydrophobicContact CZ2-CD2 3.66Å; W769-L852 HydrophobicContact CZ3-CD1 4.16Å; W769-L852 HydrophobicContact CZ3-CD2 3.91Å; I816-L852 HydrophobicContact CG2-CD1 3.58Å; I816-L852 HydrophobicContact CG2-CD2 4.35Å; I816-L852 HydrophobicContact CG2-CG 3.8Å; I817-L852 PolarHBondContact O-N 3.43Å; T818-L852 HydrophobicContact CG2-CB 4.06Å; T818-L852 HydrophobicContact CG2-CD1 3.88Å; T818-L852 HydrophobicContact CG2-CG 4.11Å; I850-L852 HydrophobicContact CG2-CD2 3.98Å; L852-W879 HydrophobicContact CD2-CB 3.78Å; L852-W879 HydrophobicContact CD2-CD2 4.47Å; L852-W879 HydrophobicContact CD2-CG 4.01Å
853	E	86.8	Confident	80.9	Confident	79 Å²	79	50.2 Å²	50.2	37%	0.369	24%	0.244	S	C	.	.	S	Bend	trans	-130.8	151.5	-178.3	-60	179.1	142.8	0	0	110.7	H819 I855	H819-E853 WeakPolarHBondContact CB-OE2 3.4Å; H819-E853 IonicContact CE1-OE2 2.62Å; H819-E853 IonicContact CG-OE2 3.8Å; H819-E853 PolarHBondContact N-OE2 3.2Å; H819-E853 IonicContact ND1-OE2 3.76Å; H819-E853 PolarHBondContact ND1-OE2 2.87Å; E853-I855 HydrophobicContact CB-CD1 4.25Å; E853-I855 PolarHBondContact O-N 2.91Å
854	E	82.4	Confident	81.7	Confident	190 Å²	190	46.6 Å²	46.6	89%	0.888	23%	0.225	S	C	*	.			trans	-70.1	103.9	173.5	-69.6	-158.9	154.3	0	0	111.5
855	I	84.9	Confident	82.4	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.235	C	C	.	.			trans	-114.6	124.7	179.8	-79.3	155.8	0	0	0	109.5	I817 L822 F851 E853 L860 R868	I817-I855 HydrophobicContact CG2-CB 4.4Å; I817-I855 HydrophobicContact CG2-CD1 3.67Å; I817-I855 HydrophobicContact CG2-CG2 4.25Å; L822-I855 HydrophobicContact CD1-CB 4.44Å; L822-I855 HydrophobicContact CD1-CD1 3.62Å; L822-I855 HydrophobicContact CD1-CG1 3.83Å; L822-I855 HydrophobicContact CD1-CG2 3.76Å; L822-I855 HydrophobicContact CG-CD1 4.34Å; F851-I855 HydrophobicContact CD1-CB 4.12Å; F851-I855 HydrophobicContact CE1-CB 4.17Å; F851-I855 HydrophobicContact CE1-CG2 4.2Å; E853-I855 HydrophobicContact CB-CD1 4.25Å; E853-I855 PolarHBondContact O-N 2.91Å; I855-L860 HydrophobicContact CG2-CB 4.39Å; I855-R868 PolarHBondContact O-NH1 3.09Å; I855-R868 PolarHBondContact O-NH2 3.39Å
856	P	84.4	Confident	83.3	Confident	46 Å²	46	46.9 Å²	46.9	30%	0.299	23%	0.232	S	C	.	.			trans	-79.9	146.1	176.7	32	-35.7	0	0	0	112	Y858 K859 L860	P856-Y858 VanDerWaalsContact C-N 3.25Å; P856-Y858 HydrophobicContact CB-CD1 3.91Å; P856-Y858 HydrophobicContact CB-CE1 3.81Å; P856-Y858 HydrophobicContact CG-CD1 3.98Å; P856-Y858 HydrophobicContact CG-CE1 3.49Å; P856-Y858 VanDerWaalsContact CG-CE1 3.49Å; P856-Y858 PolarHBondContact O-N 2.87Å; P856-Y858 VanDerWaalsContact O-N 3.1Å; P856-K859 HydrophobicContact CG-CB 4.43Å; P856-K859 HydrophobicContact CG-CD 4.04Å; P856-K859 HydrophobicContact CG-CG 4.04Å; P856-K859 PolarHBondContact O-N 3.28Å; P856-L860 PolarHBondContact O-N 3.37Å
857	D	79.9	Confident	83.6	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-54.3	-32.4	-173.7	-83.6	63.9	0	0	0	115.1	K859 L860 N861 R868	D857-K859 VanDerWaalsContact C-N 3.33Å; D857-K859 PolarHBondContact O-N 3.49Å; D857-L860 PolarHBondContact O-N 2.96Å; D857-N861 WeakPolarHBondContact O-CB 3.41Å; D857-N861 PolarHBondContact O-N 3.07Å; D857-R868 VanDerWaalsContact OD1-CD 3.32Å; D857-R868 WeakPolarHBondContact OD1-CD 3.22Å; D857-R868 WeakPolarHBondContact OD1-CG 3.36Å; D857-R868 IonicContact OD1-CZ 2.78Å; D857-R868 IonicContact OD1-NE 2.98Å; D857-R868 IonicContact OD1-NH1 3.53Å; D857-R868 PolarHBondContact OD1-NH1 2.78Å; D857-R868 VanDerWaalsContact OD2-CB 3.23Å; D857-R868 WeakPolarHBondContact OD2-CB 3.36Å; D857-R868 WeakPolarHBondContact OD2-CG 3.48Å; D857-R868 PolarHBondContact OD2-N 2.85Å
858	Y	79.4	Confident	83.3	Confident	163 Å²	163	56.3 Å²	56.3	64%	0.639	27%	0.266	S	S	*	.	H	α-helix	trans	-65.6	-35.6	178	78.5	-95.8	0	0	0	112.3	P856 H862	P856-Y858 VanDerWaalsContact C-N 3.25Å; P856-Y858 HydrophobicContact CB-CD1 3.91Å; P856-Y858 HydrophobicContact CB-CE1 3.81Å; P856-Y858 HydrophobicContact CG-CD1 3.98Å; P856-Y858 HydrophobicContact CG-CE1 3.49Å; P856-Y858 VanDerWaalsContact CG-CE1 3.49Å; P856-Y858 PolarHBondContact O-N 2.87Å; P856-Y858 VanDerWaalsContact O-N 3.1Å; Y858-H862 VanDerWaalsContact O-CB 3.25Å; Y858-H862 WeakPolarHBondContact O-CB 3.5Å; Y858-H862 PolarHBondContact O-N 3.02Å
859	K	81.7	Confident	82.6	Confident	73 Å²	73	60.1 Å²	60.1	32%	0.317	31%	0.306	S	S	.	.	H	α-helix	trans	-70	-41.4	174.2	-71.2	-173.4	-174.3	167.2	0	110.7	H819 L822 P856 D857 H862 A863	H819-K859 PolarHBondContact NE2-NZ 3.22Å; L822-K859 HydrophobicContact CD1-CB 4.44Å; P856-K859 HydrophobicContact CG-CB 4.43Å; P856-K859 HydrophobicContact CG-CD 4.04Å; P856-K859 HydrophobicContact CG-CG 4.04Å; P856-K859 PolarHBondContact O-N 3.28Å; D857-K859 VanDerWaalsContact C-N 3.33Å; D857-K859 PolarHBondContact O-N 3.49Å; K859-H862 PolarHBondContact O-N 3.13Å; K859-A863 WeakPolarHBondContact O-CB 3.3Å; K859-A863 PolarHBondContact O-N 2.82Å
860	L	82.1	Confident	81.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-48	177.5	-171.6	71.1	0	0	0	111	I817 L822 L849 F851 I855 P856 D857 A863 L864 L866	I817-L860 HydrophobicContact CD1-CD1 3.95Å; I817-L860 HydrophobicContact CG2-CD1 4.07Å; L822-L860 HydrophobicContact CD2-CD1 4.26Å; L849-L860 HydrophobicContact CD1-CD2 4.27Å; F851-L860 HydrophobicContact CZ-CD2 4.05Å; I855-L860 HydrophobicContact CG2-CB 4.39Å; P856-L860 PolarHBondContact O-N 3.37Å; D857-L860 PolarHBondContact O-N 2.96Å; L860-A863 PolarHBondContact O-N 3.47Å; L860-L864 HydrophobicContact CD1-CD1 4.26Å; L860-L864 PolarHBondContact O-N 3.22Å; L860-L866 CarbonylContact C-O 3.59Å; L860-L866 VanDerWaalsContact C-O 3.3Å; L860-L866 HydrophobicContact CD2-CB 4.21Å; L860-L866 HydrophobicContact CG-CB 4.05Å; L860-L866 WeakPolarHBondContact CG-O 3.45Å
861	N	80.8	Confident	81.2	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178.5	175.2	92.9	0	0	0	112.2	D857 C865 L866 R867	D857-N861 WeakPolarHBondContact O-CB 3.41Å; D857-N861 PolarHBondContact O-N 3.07Å; N861-C865 WeakPolarHBondContact O-CA 3.48Å; N861-C865 PolarHBondContact O-N 3.27Å; N861-L866 WeakPolarHBondContact CA-O 3.32Å; N861-L866 PolarHBondContact N-O 3.29Å; N861-R867 HydrophobicContact CB-CG 4.01Å; N861-R867 PolarHBondContact OD1-NE 3.29Å; N861-R867 PolarHBondContact OD1-NH2 2.69Å
862	H	80.3	Confident	80.6	Confident	166 Å²	166	69.1 Å²	69.1	77%	0.769	35%	0.346	S	S	*	.	H	α-helix	trans	-71	-33.7	178.9	-171.7	-44.5	0	0	0	112.2	Y858 K859	Y858-H862 VanDerWaalsContact O-CB 3.25Å; Y858-H862 WeakPolarHBondContact O-CB 3.5Å; Y858-H862 PolarHBondContact O-N 3.02Å; K859-H862 PolarHBondContact O-N 3.13Å
863	A	77.8	Confident	80	Confident	15 Å²	15	72 Å²	72	12%	0.124	37%	0.371	C	S	.	.	H	α-helix	trans	-82.7	-42.9	-178.4	0	0	0	0	0	112.9	L822 K828 K859 L860	L822-A863 HydrophobicContact CB-CB 4.17Å; L822-A863 HydrophobicContact CD2-CB 3.58Å; L822-A863 HydrophobicContact CG-CB 4.45Å; K828-A863 WeakPolarHBondContact CG-O 3.45Å; K859-A863 WeakPolarHBondContact O-CB 3.3Å; K859-A863 PolarHBondContact O-N 2.82Å; L860-A863 PolarHBondContact O-N 3.47Å
864	L	80.6	Confident	79.6	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-128.2	4.7	-164.8	-66.1	-179.3	0	0	0	113.3	I817 L822 K828 V832 L860 L866	I817-L864 HydrophobicContact CD1-CD1 4.02Å; L822-L864 HydrophobicContact CD2-CD1 3.99Å; L822-L864 HydrophobicContact CD2-CG 4.22Å; K828-L864 HydrophobicContact CG-CD2 4.22Å; V832-L864 HydrophobicContact CB-CD2 4.25Å; V832-L864 HydrophobicContact CG1-CD2 4.3Å; V832-L864 HydrophobicContact CG2-CB 4.13Å; V832-L864 HydrophobicContact CG2-CD2 4.41Å; V832-L864 VanDerWaalsContact CG2-O 3.3Å; V832-L864 WeakPolarHBondContact CG2-O 3.13Å; L860-L864 HydrophobicContact CD1-CD1 4.26Å; L860-L864 PolarHBondContact O-N 3.22Å; L864-L866 HydrophobicContact CB-CG 4.33Å; L864-L866 WeakPolarHBondContact O-CG 3.38Å; L864-L866 PolarHBondContact O-N 2.92Å
865	C	77.5	Confident	79.7	Confident	79 Å²	79	62.5 Å²	62.5	53%	0.534	33%	0.326	S	S	.	.	S	Bend	trans	58.4	13.6	-174.4	-60.9	0	0	0	0	115.2	N861	N861-C865 WeakPolarHBondContact O-CA 3.48Å; N861-C865 PolarHBondContact O-N 3.27Å
866	L	80.9	Confident	79.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.334	C	S	.	.			trans	-99.3	143.6	179.2	-60.8	-169.4	0	0	0	112.2	V832 V836 L849 L860 N861 L864 M870 F871	V832-L866 HydrophobicContact CG2-CD1 4.37Å; V832-L866 HydrophobicContact CG2-CG 4.27Å; V836-L866 HydrophobicContact CG2-CD2 3.54Å; L849-L866 HydrophobicContact CD2-CD1 3.92Å; L860-L866 CarbonylContact C-O 3.59Å; L860-L866 VanDerWaalsContact C-O 3.3Å; L860-L866 HydrophobicContact CD2-CB 4.21Å; L860-L866 HydrophobicContact CG-CB 4.05Å; L860-L866 WeakPolarHBondContact CG-O 3.45Å; N861-L866 WeakPolarHBondContact CA-O 3.32Å; N861-L866 PolarHBondContact N-O 3.29Å; L864-L866 HydrophobicContact CB-CG 4.33Å; L864-L866 WeakPolarHBondContact O-CG 3.38Å; L864-L866 PolarHBondContact O-N 2.92Å; L866-M870 HydrophobicContact CD2-CE 4.37Å; L866-F871 HydrophobicContact CB-CE2 4.26Å; L866-F871 HydrophobicContact CD1-CE2 4.27Å; L866-F871 HydrophobicContact CD1-CZ 4.23Å; L866-F871 HydrophobicContact CD2-CE2 4.23Å; L866-F871 HydrophobicContact CD2-CZ 3.9Å; L866-F871 HydrophobicContact CG-CE2 4.49Å
867	R	80.3	Confident	80	Confident	143 Å²	143	62.3 Å²	62.3	54%	0.54	32%	0.322	S	S	.	.			trans	-126.3	146	170.6	-59.3	176.9	-172.2	-167.6	1.3	108.9	N861 G869 M870 F871	N861-R867 HydrophobicContact CB-CG 4.01Å; N861-R867 PolarHBondContact OD1-NE 3.29Å; N861-R867 PolarHBondContact OD1-NH2 2.69Å; R867-G869 PolarHBondContact O-N 3.34Å; R867-M870 HydrophobicContact CB-CG 4.13Å; R867-M870 HydrophobicContact CB-SD 4.01Å; R867-M870 HydrophobicContact CG-SD 4.28Å; R867-M870 PolarHBondContact N-SD 2.77Å; R867-M870 VanDerWaalsContact N-SD 3.38Å; R867-M870 WeakPolarHBondContact O-CB 3.49Å; R867-M870 PolarHBondContact O-N 2.69Å; R867-F871 WeakPolarHBondContact O-CD2 3.32Å
868	R	79.3	Confident	80.3	Confident	64 Å²	64	64.5 Å²	64.5	24%	0.242	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-58.1	-36.7	174.9	-71.7	-174	175.2	111.9	-4.8	111.7	F851 I855 D857 M870 F871 I876	F851-R868 HydrophobicContact CZ-CG 4.38Å; I855-R868 PolarHBondContact O-NH1 3.09Å; I855-R868 PolarHBondContact O-NH2 3.39Å; D857-R868 VanDerWaalsContact OD1-CD 3.32Å; D857-R868 WeakPolarHBondContact OD1-CD 3.22Å; D857-R868 WeakPolarHBondContact OD1-CG 3.36Å; D857-R868 IonicContact OD1-CZ 2.78Å; D857-R868 IonicContact OD1-NE 2.98Å; D857-R868 IonicContact OD1-NH1 3.53Å; D857-R868 PolarHBondContact OD1-NH1 2.78Å; D857-R868 VanDerWaalsContact OD2-CB 3.23Å; D857-R868 WeakPolarHBondContact OD2-CB 3.36Å; D857-R868 WeakPolarHBondContact OD2-CG 3.48Å; D857-R868 PolarHBondContact OD2-N 2.85Å; R868-M870 PolarHBondContact O-N 3.48Å; R868-F871 PolarHBondContact O-N 2.84Å; R868-F871 VanDerWaalsContact O-N 3.08Å; R868-I876 HydrophobicContact CB-CD1 3.74Å; R868-I876 HydrophobicContact CG-CD1 4.03Å
869	G	73.5	Confident	80.7	Confident	80 Å²	80	59.3 Å²	59.3	83%	0.825	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-65.6	-1.6	175	0	0	0	0	0	116.5	R867	R867-G869 PolarHBondContact O-N 3.34Å
870	M	73.5	Confident	80.9	Confident	70 Å²	70	56.8 Å²	56.8	35%	0.345	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-88.3	-11.5	170.6	-66.2	164.7	64.7	0	0	112.9	L866 R867 R868	L866-M870 HydrophobicContact CD2-CE 4.37Å; R867-M870 HydrophobicContact CB-CG 4.13Å; R867-M870 HydrophobicContact CB-SD 4.01Å; R867-M870 HydrophobicContact CG-SD 4.28Å; R867-M870 PolarHBondContact N-SD 2.77Å; R867-M870 VanDerWaalsContact N-SD 3.38Å; R867-M870 WeakPolarHBondContact O-CB 3.49Å; R867-M870 PolarHBondContact O-N 2.69Å; R868-M870 PolarHBondContact O-N 3.48Å
871	F	78.8	Confident	80.7	Confident	22 Å²	22	64 Å²	64	10%	0.096	35%	0.348	C	S	.	.	S	Bend	trans	-123.7	150.8	-171.1	-57.1	-70.6	0	0	0	111.7	I847 L849 L866 R867 R868 C875 I876	I847-F871 HydrophobicContact CB-CD1 4.32Å; I847-F871 HydrophobicContact CB-CE1 3.68Å; I847-F871 HydrophobicContact CB-CZ 4.3Å; I847-F871 HydrophobicContact CD1-CE1 4.17Å; I847-F871 HydrophobicContact CD1-CZ 4.33Å; I847-F871 HydrophobicContact CG1-CE1 4.42Å; I847-F871 HydrophobicContact CG2-CE1 3.89Å; I847-F871 HydrophobicContact CG2-CZ 4.05Å; L849-F871 HydrophobicContact CD1-CD2 3.78Å; L849-F871 HydrophobicContact CD1-CE2 3.82Å; L849-F871 HydrophobicContact CG-CD2 4.38Å; L849-F871 HydrophobicContact CG-CE2 4.39Å; L866-F871 HydrophobicContact CB-CE2 4.26Å; L866-F871 HydrophobicContact CD1-CE2 4.27Å; L866-F871 HydrophobicContact CD1-CZ 4.23Å; L866-F871 HydrophobicContact CD2-CE2 4.23Å; L866-F871 HydrophobicContact CD2-CZ 3.9Å; L866-F871 HydrophobicContact CG-CE2 4.49Å; R867-F871 WeakPolarHBondContact O-CD2 3.32Å; R868-F871 PolarHBondContact O-N 2.84Å; R868-F871 VanDerWaalsContact O-N 3.08Å; F871-C875 HydrophobicContact CB-CB 4.41Å; F871-I876 HydrophobicContact CB-CD1 4.37Å; F871-I876 HydrophobicContact CB-CG1 4.33Å
872	K	78.1	Confident	80.8	Confident	101 Å²	101	66 Å²	66	44%	0.439	36%	0.356	S	S	.	.			trans	-66	147	171.9	-65.9	-177.5	-173.5	167.5	0	110	D845 H874 C875	D845-K872 WeakPolarHBondContact OD1-CD 3.49Å; D845-K872 WeakPolarHBondContact OD1-CE 3.16Å; D845-K872 WeakPolarHBondContact OD1-CG 3.35Å; D845-K872 IonicContact OD1-NZ 2.69Å; D845-K872 PolarHBondContact OD1-NZ 3.43Å; D845-K872 WeakPolarHBondContact OD2-CE 3.5Å; D845-K872 IonicContact OD2-NZ 3.93Å; D845-K872 PolarHBondContact OD2-NZ 3.21Å; K872-H874 PolarHBondContact O-N 2.94Å; K872-C875 WeakPolarHBondContact O-CB 3.43Å; K872-C875 PolarHBondContact O-N 2.83Å
873	S	76.3	Confident	80.7	Confident	107 Å²	107	66.9 Å²	66.9	75%	0.748	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.2	-25.2	-174.8	52.7	0	0	0	0	114.6
874	H	79.4	Confident	80.7	Confident	69 Å²	69	74.6 Å²	74.6	32%	0.319	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-79.3	-17.2	175.5	62.6	-104.4	0	0	0	114	K872 I876 A896	K872-H874 PolarHBondContact O-N 2.94Å; H874-I876 VanDerWaalsContact C-N 3.26Å; H874-A896 WeakPolarHBondContact O-CB 3.28Å
875	C	83.3	Confident	80.8	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.007	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-84.1	0.8	173.4	-62.5	0	0	0	0	112.8	I847 I848 L849 F871 K872	I847-C875 WeakPolarHBondContact O-CB 3.5Å; I848-C875 WeakPolarHBondContact CA-O 3.39Å; L849-C875 PolarHBondContact N-O 3.07Å; F871-C875 HydrophobicContact CB-CB 4.41Å; K872-C875 WeakPolarHBondContact O-CB 3.43Å; K872-C875 PolarHBondContact O-N 2.83Å
876	I	87.2	Confident	81	Confident	37 Å²	37	79.8 Å²	79.8	19%	0.19	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.7	-179.4	-59.8	172.7	0	0	0	108.1	F851 R868 F871 H874	F851-I876 HydrophobicContact CD2-CG2 4.35Å; F851-I876 HydrophobicContact CE2-CG2 3.99Å; R868-I876 HydrophobicContact CB-CD1 3.74Å; R868-I876 HydrophobicContact CG-CD1 4.03Å; F871-I876 HydrophobicContact CB-CD1 4.37Å; F871-I876 HydrophobicContact CB-CG1 4.33Å; H874-I876 VanDerWaalsContact C-N 3.26Å
877	L	88.4	Confident	80.9	Confident	9 Å²	9	82.2 Å²	82.2	5%	0.047	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.7	-174.5	-57.2	176.3	0	0	0	109.6	I848 L849 I850 F851 F889 K892 L893 A896	I848-L877 HydrophobicContact CG2-CD1 4.03Å; L849-L877 PolarHBondContact O-N 3.38Å; I850-L877 CarbonylContact C-O 3.6Å; I850-L877 WeakPolarHBondContact CA-O 3.46Å; I850-L877 HydrophobicContact CG1-CB 4.32Å; I850-L877 HydrophobicContact CG1-CD1 4.39Å; F851-L877 PolarHBondContact N-O 2.85Å; L877-F889 HydrophobicContact CB-CE2 3.86Å; L877-F889 HydrophobicContact CB-CZ 4.5Å; L877-K892 HydrophobicContact CD2-CB 3.77Å; L877-L893 HydrophobicContact CD1-CB 3.96Å; L877-L893 HydrophobicContact CD1-CD1 3.79Å; L877-L893 HydrophobicContact CD1-CG 4.47Å; L877-A896 HydrophobicContact CD1-CB 4.4Å
878	N	88.1	Confident	81	Confident	101 Å²	101	78.2 Å²	78.2	54%	0.54	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.5	174.9	-62.2	-11.4	0	0	0	108.8	F889	N878-F889 WeakPolarHBondContact O-CD2 3.46Å
879	W	87.4	Confident	81.4	Confident	53 Å²	53	75.7 Å²	75.7	20%	0.201	42%	0.415	C	S	.	.			trans	-68.7	132.8	177.8	-172.6	-112.8	0	0	0	111.2	W769 H773 F851 L852 I886 F889	W769-W879 HydrophobicContact CH2-CE3 4.26Å; W769-W879 HydrophobicContact CH2-CZ3 4.43Å; W769-W879 AromaticContact CZ2-CD2 3.72Å; W769-W879 HydrophobicContact CZ2-CD2 3.72Å; W769-W879 AromaticContact CZ2-CE2 3.91Å; W769-W879 AromaticContact CZ2-CE3 3.6Å; W769-W879 HydrophobicContact CZ2-CE3 3.6Å; W769-W879 HydrophobicContact CZ2-CG 4.46Å; W769-W879 AromaticContact CZ2-CH2 3.97Å; W769-W879 HydrophobicContact CZ2-CH2 3.97Å; W769-W879 HydrophobicContact CZ2-CZ2 4.05Å; W769-W879 AromaticContact CZ2-CZ3 3.74Å; W769-W879 HydrophobicContact CZ2-CZ3 3.74Å; W769-W879 AromaticContact NE1-CE2 3.89Å; W769-W879 AromaticContact NE1-CZ2 3.96Å; H773-W879 AromaticContact CD2-CH2 3.32Å; H773-W879 WeakPolarHBondContact CD2-CH2 3.38Å; H773-W879 AromaticContact CD2-CZ2 3.71Å; H773-W879 AromaticContact NE2-CH2 3.69Å; H773-W879 AromaticContact NE2-CZ2 3.54Å; F851-W879 PolarHBondContact O-N 3.43Å; L852-W879 HydrophobicContact CD2-CB 3.78Å; L852-W879 HydrophobicContact CD2-CD2 4.47Å; L852-W879 HydrophobicContact CD2-CG 4.01Å; W879-I886 HydrophobicContact CH2-CD1 4.46Å; W879-I886 HydrophobicContact CH2-CG1 4.13Å; W879-I886 HydrophobicContact CH2-CG2 4.04Å; W879-I886 HydrophobicContact CZ2-CD1 4.1Å; W879-I886 HydrophobicContact CZ2-CG1 4.06Å; W879-F889 AromaticContact CE3-CD1 3.83Å; W879-F889 HydrophobicContact CE3-CD1 3.83Å; W879-F889 AromaticContact CE3-CD2 3.97Å; W879-F889 HydrophobicContact CE3-CD2 3.97Å; W879-F889 AromaticContact CE3-CE1 3.8Å; W879-F889 HydrophobicContact CE3-CE1 3.8Å; W879-F889 AromaticContact CE3-CE2 3.93Å; W879-F889 HydrophobicContact CE3-CE2 3.93Å; W879-F889 AromaticContact CE3-CG 3.92Å; W879-F889 HydrophobicContact CE3-CG 3.92Å; W879-F889 AromaticContact CE3-CZ 3.85Å; W879-F889 HydrophobicContact CE3-CZ 3.85Å; W879-F889 AromaticContact CZ3-CD1 3.45Å; W879-F889 HydrophobicContact CZ3-CD1 3.45Å; W879-F889 VanDerWaalsContact CZ3-CD1 3.45Å; W879-F889 HydrophobicContact CZ3-CD2 4.41Å; W879-F889 AromaticContact CZ3-CE1 3.62Å; W879-F889 HydrophobicContact CZ3-CE1 3.62Å; W879-F889 AromaticContact CZ3-CG 3.89Å; W879-F889 HydrophobicContact CZ3-CG 3.89Å; W879-F889 HydrophobicContact CZ3-CZ 4.16Å
880	P	85.2	Confident	81.9	Confident	21 Å²	21	73.4 Å²	73.4	14%	0.136	38%	0.383	C	S	.	.			trans	-77.6	130.2	-178.5	28.2	-33	0	0	0	112.9	Q882 R885 I886 F889	P880-Q882 PolarHBondContact O-N 3.43Å; P880-R885 HydrophobicContact CB-CB 3.63Å; P880-R885 HydrophobicContact CG-CB 4.19Å; P880-I886 HydrophobicContact CG-CG1 4.01Å; P880-F889 HydrophobicContact CG-CB 4.17Å
881	V	77.4	Confident	82.4	Confident	152 Å²	152	75.8 Å²	75.8	92%	0.921	39%	0.393	S	S	*	.	S	Bend	trans	-66.9	-22.7	172	-173	0	0	0	0	112.5
882	Q	83.4	Confident	82.6	Confident	93 Å²	93	81 Å²	81	44%	0.435	42%	0.416	S	S	.	.	S	Bend	trans	-102.2	122	-179	-68.3	177.3	-23.4	0	0	110.7	P880 E884 R885	P880-Q882 PolarHBondContact O-N 3.43Å; Q882-E884 PolarHBondContact O-N 3.13Å; Q882-R885 HydrophobicContact CB-CG 4.3Å; Q882-R885 PolarHBondContact O-N 3.09Å
883	K	77.5	Confident	83	Confident	185 Å²	185	76.2 Å²	76.2	80%	0.804	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-55.2	-36.3	-177.1	-70.1	-167.2	174.4	-167.7	0	113.5	R885 I886	K883-R885 PolarHBondContact O-N 3.24Å; K883-R885 VanDerWaalsContact O-N 3.09Å; K883-I886 HydrophobicContact CB-CD1 4.26Å; K883-I886 HydrophobicContact CG-CD1 4.34Å; K883-I886 WeakPolarHBondContact O-CB 3.44Å; K883-I886 WeakPolarHBondContact O-CG1 3.24Å; K883-I886 PolarHBondContact O-N 3Å; K883-I886 VanDerWaalsContact O-N 3.11Å
884	E	79.1	Confident	83.4	Confident	177 Å²	177	74.9 Å²	74.9	83%	0.827	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-54.5	-26.7	175.6	-66.8	142.7	-147	0	0	113.9	Q882	Q882-E884 PolarHBondContact O-N 3.13Å
885	R	81.8	Confident	83.5	Confident	148 Å²	148	75.5 Å²	75.5	56%	0.558	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-92.7	-0.7	-177	-58.6	-174.9	-168.6	-159.2	1.7	113.8	P880 Q882 K883 G887 A888 F889	P880-R885 HydrophobicContact CB-CB 3.63Å; P880-R885 HydrophobicContact CG-CB 4.19Å; Q882-R885 HydrophobicContact CB-CG 4.3Å; Q882-R885 PolarHBondContact O-N 3.09Å; K883-R885 PolarHBondContact O-N 3.24Å; K883-R885 VanDerWaalsContact O-N 3.09Å; R885-G887 PolarHBondContact O-N 3.05Å; R885-A888 WeakPolarHBondContact O-CB 3.46Å; R885-A888 PolarHBondContact O-N 3.35Å; R885-A888 VanDerWaalsContact O-N 3.13Å; R885-F889 PolarHBondContact O-N 2.68Å; R885-F889 VanDerWaalsContact O-N 3.1Å
886	I	81.8	Confident	83.5	Confident	42 Å²	42	75.4 Å²	75.4	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-43.8	-178.6	-70.1	172.4	0	0	0	111.1	W879 P880 K883 A888 F889 H890	W879-I886 HydrophobicContact CH2-CD1 4.46Å; W879-I886 HydrophobicContact CH2-CG1 4.13Å; W879-I886 HydrophobicContact CH2-CG2 4.04Å; W879-I886 HydrophobicContact CZ2-CD1 4.1Å; W879-I886 HydrophobicContact CZ2-CG1 4.06Å; P880-I886 HydrophobicContact CG-CG1 4.01Å; K883-I886 HydrophobicContact CB-CD1 4.26Å; K883-I886 HydrophobicContact CG-CD1 4.34Å; K883-I886 WeakPolarHBondContact O-CB 3.44Å; K883-I886 WeakPolarHBondContact O-CG1 3.24Å; K883-I886 PolarHBondContact O-N 3Å; K883-I886 VanDerWaalsContact O-N 3.11Å; I886-A888 VanDerWaalsContact C-N 3.28Å; I886-A888 PolarHBondContact O-N 3.09Å; I886-F889 WeakPolarHBondContact O-CA 3.45Å; I886-F889 WeakPolarHBondContact O-CB 3.34Å; I886-F889 PolarHBondContact O-N 3.16Å; I886-H890 WeakPolarHBondContact CG2-NE2 3.48Å; I886-H890 PolarHBondContact O-CD2 3.06Å; I886-H890 PolarHBondContact O-N 3.31Å
887	G	80.1	Confident	83.2	Confident	51 Å²	51	73.7 Å²	73.7	53%	0.526	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-36.4	174.3	0	0	0	0	0	113.8	R885 F889 H890 H891	R885-G887 PolarHBondContact O-N 3.05Å; G887-F889 VanDerWaalsContact C-N 3.3Å; G887-F889 PolarHBondContact O-N 2.89Å; G887-H890 PolarHBondContact O-N 3.12Å; G887-H891 PolarHBondContact O-N 3.4Å; G887-H891 VanDerWaalsContact O-N 3.12Å
888	A	81.8	Confident	82.5	Confident	59 Å²	59	75.6 Å²	75.6	49%	0.488	40%	0.398	S	S	.	.	H	α-helix	trans	-72.6	-21.2	175.4	0	0	0	0	0	113.3	R885 I886 K892	R885-A888 WeakPolarHBondContact O-CB 3.46Å; R885-A888 PolarHBondContact O-N 3.35Å; R885-A888 VanDerWaalsContact O-N 3.13Å; I886-A888 VanDerWaalsContact C-N 3.28Å; I886-A888 PolarHBondContact O-N 3.09Å; A888-K892 WeakPolarHBondContact O-CG 3.44Å
889	F	87.6	Confident	81.6	Confident	11 Å²	11	71.9 Å²	71.9	5%	0.048	38%	0.38	C	S	.	.	H	α-helix	trans	-74.4	-49.4	168.5	174.1	-84	0	0	0	111	I850 L877 N878 W879 P880 R885 I886 G887 H891 K892 L893	I850-F889 HydrophobicContact CD1-CZ 4.04Å; I850-F889 HydrophobicContact CG1-CZ 4.16Å; I850-F889 HydrophobicContact CG2-CE2 4.06Å; I850-F889 HydrophobicContact CG2-CZ 3.7Å; L877-F889 HydrophobicContact CB-CE2 3.86Å; L877-F889 HydrophobicContact CB-CZ 4.5Å; N878-F889 WeakPolarHBondContact O-CD2 3.46Å; W879-F889 AromaticContact CE3-CD1 3.83Å; W879-F889 HydrophobicContact CE3-CD1 3.83Å; W879-F889 AromaticContact CE3-CD2 3.97Å; W879-F889 HydrophobicContact CE3-CD2 3.97Å; W879-F889 AromaticContact CE3-CE1 3.8Å; W879-F889 HydrophobicContact CE3-CE1 3.8Å; W879-F889 AromaticContact CE3-CE2 3.93Å; W879-F889 HydrophobicContact CE3-CE2 3.93Å; W879-F889 AromaticContact CE3-CG 3.92Å; W879-F889 HydrophobicContact CE3-CG 3.92Å; W879-F889 AromaticContact CE3-CZ 3.85Å; W879-F889 HydrophobicContact CE3-CZ 3.85Å; W879-F889 AromaticContact CZ3-CD1 3.45Å; W879-F889 HydrophobicContact CZ3-CD1 3.45Å; W879-F889 VanDerWaalsContact CZ3-CD1 3.45Å; W879-F889 HydrophobicContact CZ3-CD2 4.41Å; W879-F889 AromaticContact CZ3-CE1 3.62Å; W879-F889 HydrophobicContact CZ3-CE1 3.62Å; W879-F889 AromaticContact CZ3-CG 3.89Å; W879-F889 HydrophobicContact CZ3-CG 3.89Å; W879-F889 HydrophobicContact CZ3-CZ 4.16Å; P880-F889 HydrophobicContact CG-CB 4.17Å; R885-F889 PolarHBondContact O-N 2.68Å; R885-F889 VanDerWaalsContact O-N 3.1Å; I886-F889 WeakPolarHBondContact O-CA 3.45Å; I886-F889 WeakPolarHBondContact O-CB 3.34Å; I886-F889 PolarHBondContact O-N 3.16Å; G887-F889 VanDerWaalsContact C-N 3.3Å; G887-F889 PolarHBondContact O-N 2.89Å; F889-H891 VanDerWaalsContact C-N 3.29Å; F889-H891 PolarHBondContact O-N 3.03Å; F889-K892 PolarHBondContact O-N 3.37Å; F889-L893 HydrophobicContact CE1-CB 4.41Å; F889-L893 HydrophobicContact CE1-CD2 3.98Å; F889-L893 PolarHBondContact O-N 3.45Å
890	H	84.1	Confident	80.3	Confident	32 Å²	32	77.8 Å²	77.8	15%	0.148	41%	0.407	C	S	.	.	H	α-helix	trans	-57.7	-41.6	179.7	-68	-71.5	0	0	0	112	M777 I886 G887 K892 L893 Q894	M777-H890 HydrophobicContact CE-CB 4.48Å; M777-H890 WeakPolarHBondContact CG-ND1 3.37Å; M777-H890 PolarHBondContact SD-ND1 3.11Å; I886-H890 WeakPolarHBondContact CG2-NE2 3.48Å; I886-H890 PolarHBondContact O-CD2 3.06Å; I886-H890 PolarHBondContact O-N 3.31Å; G887-H890 PolarHBondContact O-N 3.12Å; H890-K892 PolarHBondContact O-N 3.46Å; H890-L893 PolarHBondContact O-N 2.96Å; H890-Q894 WeakPolarHBondContact O-CG 3.5Å; H890-Q894 PolarHBondContact O-N 3.46Å
891	H	82.8	Confident	78.6	Confident	120 Å²	120	80.4 Å²	80.4	56%	0.556	42%	0.419	S	S	*	.	H	α-helix	trans	-62.7	-40.5	175.5	-173.1	60.9	0	0	0	113	G887 F889 L893 Q894 V895	G887-H891 PolarHBondContact O-N 3.4Å; G887-H891 VanDerWaalsContact O-N 3.12Å; F889-H891 VanDerWaalsContact C-N 3.29Å; F889-H891 PolarHBondContact O-N 3.03Å; H891-L893 VanDerWaalsContact C-N 3.35Å; H891-Q894 PolarHBondContact O-N 3.11Å; H891-V895 WeakPolarHBondContact O-CG2 3.46Å; H891-V895 PolarHBondContact O-N 3.09Å
892	K	84.9	Confident	76.8	Confident	132 Å²	132	78.2 Å²	78.2	57%	0.574	41%	0.411	S	S	*	.	H	α-helix	trans	-66	-36.9	174.4	-73.6	177.1	176.1	-175.4	0	112.3	L877 A888 F889 H890 V895 A896	L877-K892 HydrophobicContact CD2-CB 3.77Å; A888-K892 WeakPolarHBondContact O-CG 3.44Å; F889-K892 PolarHBondContact O-N 3.37Å; H890-K892 PolarHBondContact O-N 3.46Å; K892-V895 PolarHBondContact O-N 3.18Å; K892-A896 PolarHBondContact O-N 2.97Å
893	L	86.1	Confident	74.5	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	43%	0.427	C	S	.	.	H	α-helix	trans	-66.5	-40.3	175.2	-179.2	56.5	0	0	0	111.7	F774 M777 I814 I848 I850 L877 F889 H890 H891 V895 A896 L897	F774-L893 HydrophobicContact CE1-CD2 3.93Å; F774-L893 HydrophobicContact CZ-CD2 4.2Å; M777-L893 HydrophobicContact CE-CD2 4.24Å; M777-L893 HydrophobicContact SD-CD2 3.93Å; I814-L893 HydrophobicContact CD1-CD1 4.24Å; I848-L893 HydrophobicContact CG2-CD1 4.35Å; I850-L893 HydrophobicContact CD1-CD1 4.08Å; I850-L893 HydrophobicContact CD1-CD2 4.25Å; L877-L893 HydrophobicContact CD1-CB 3.96Å; L877-L893 HydrophobicContact CD1-CD1 3.79Å; L877-L893 HydrophobicContact CD1-CG 4.47Å; F889-L893 HydrophobicContact CE1-CB 4.41Å; F889-L893 HydrophobicContact CE1-CD2 3.98Å; F889-L893 PolarHBondContact O-N 3.45Å; H890-L893 PolarHBondContact O-N 2.96Å; H891-L893 VanDerWaalsContact C-N 3.35Å; L893-V895 PolarHBondContact O-N 3.1Å; L893-A896 PolarHBondContact O-N 3.27Å; L893-L897 HydrophobicContact CD1-CD1 4.16Å; L893-L897 HydrophobicContact CD1-CG 4.23Å; L893-L897 HydrophobicContact CG-CD1 3.99Å; L893-L897 WeakPolarHBondContact O-CB 3.26Å; L893-L897 VanDerWaalsContact O-CG 3.3Å; L893-L897 WeakPolarHBondContact O-CG 3.42Å; L893-L897 PolarHBondContact O-N 3.13Å
894	Q	82.9	Confident	72.2	Confident	78 Å²	78	83.3 Å²	83.3	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-59.5	-43.6	171.1	-75.7	175.3	-32.9	0	0	112.1	M777 L784 H890 H891 L897 G898	M777-Q894 HydrophobicContact CE-CG 4.27Å; L784-Q894 HydrophobicContact CD1-CG 4.39Å; H890-Q894 WeakPolarHBondContact O-CG 3.5Å; H890-Q894 PolarHBondContact O-N 3.46Å; H891-Q894 PolarHBondContact O-N 3.11Å; Q894-L897 PolarHBondContact O-N 3.11Å; Q894-G898 PolarHBondContact O-N 2.62Å
895	V	82.1	Confident	71.9	Confident	82 Å²	82	78.7 Å²	78.7	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-43.5	175	171.4	0	0	0	0	111.5	H891 K892 L893 G898 S899	H891-V895 WeakPolarHBondContact O-CG2 3.46Å; H891-V895 PolarHBondContact O-N 3.09Å; K892-V895 PolarHBondContact O-N 3.18Å; L893-V895 PolarHBondContact O-N 3.1Å; V895-G898 PolarHBondContact O-N 3.36Å; V895-S899 PolarHBondContact O-N 2.89Å
896	A	83.1	Confident	71.4	Confident	0 Å²	0	75 Å²	75	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-63.5	-43.3	176.4	0	0	0	0	0	112.3	I848 H874 L877 K892 L893 S899	I848-A896 HydrophobicContact CD1-CB 3.77Å; I848-A896 HydrophobicContact CG1-CB 4.19Å; I848-A896 HydrophobicContact CG2-CB 4.38Å; H874-A896 WeakPolarHBondContact O-CB 3.28Å; L877-A896 HydrophobicContact CD1-CB 4.4Å; K892-A896 PolarHBondContact O-N 2.97Å; L893-A896 PolarHBondContact O-N 3.27Å; A896-S899 WeakPolarHBondContact O-CB 3.32Å; A896-S899 PolarHBondContact O-N 3Å; A896-S899 PolarHBondContact O-OG 3.22Å
897	L	82.4	Confident	70.8	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-67.2	-34.1	176.1	-74.4	167.3	0	0	0	113.3	A758 L784 F786 R811 K812 I814 I848 L893 Q894 S899	A758-L897 HydrophobicContact CB-CD2 3.88Å; L784-L897 HydrophobicContact CD2-CD1 4.33Å; F786-L897 HydrophobicContact CE1-CD1 3.85Å; F786-L897 HydrophobicContact CE1-CD2 4.27Å; F786-L897 HydrophobicContact CZ-CD1 3.76Å; R811-L897 PolarHBondContact NH2-O 3.1Å; K812-L897 HydrophobicContact CB-CD2 4.28Å; K812-L897 HydrophobicContact CG-CD2 4.21Å; I814-L897 HydrophobicContact CD1-CD2 4.29Å; I848-L897 HydrophobicContact CD1-CD2 3.98Å; I848-L897 HydrophobicContact CD1-CG 4.16Å; L893-L897 HydrophobicContact CD1-CD1 4.16Å; L893-L897 HydrophobicContact CD1-CG 4.23Å; L893-L897 HydrophobicContact CG-CD1 3.99Å; L893-L897 WeakPolarHBondContact O-CB 3.26Å; L893-L897 VanDerWaalsContact O-CG 3.3Å; L893-L897 WeakPolarHBondContact O-CG 3.42Å; L893-L897 PolarHBondContact O-N 3.13Å; Q894-L897 PolarHBondContact O-N 3.11Å; L897-S899 VanDerWaalsContact C-N 3.32Å
898	G	72.9	Confident	70.2	Confident	49 Å²	49	78.4 Å²	78.4	51%	0.505	43%	0.426	S	S	.	.	H	α-helix	trans	-76.8	-13.6	179.1	0	0	0	0	0	114.4	Q894 V895 K900	Q894-G898 PolarHBondContact O-N 2.62Å; V895-G898 PolarHBondContact O-N 3.36Å; G898-K900 PolarHBondContact O-N 3.36Å; G898-K900 VanDerWaalsContact O-N 3.07Å
899	S	69.9	Low	69.5	Low	23 Å²	23	79.6 Å²	79.6	16%	0.161	42%	0.422	C	S	.	.			trans	-60.9	109.9	179.4	64.6	0	0	0	0	111.9	K812 V895 A896 L897	K812-S899 WeakPolarHBondContact CE-O 3.28Å; K812-S899 WeakPolarHBondContact CE-OG 3.41Å; K812-S899 PolarHBondContact NZ-O 2.76Å; K812-S899 PolarHBondContact NZ-OG 3.17Å; V895-S899 PolarHBondContact O-N 2.89Å; A896-S899 WeakPolarHBondContact O-CB 3.32Å; A896-S899 PolarHBondContact O-N 3Å; A896-S899 PolarHBondContact O-OG 3.22Å; L897-S899 VanDerWaalsContact C-N 3.32Å
900	K	59.4	Low	68.3	Low	177 Å²	177	84.1 Å²	84.1	77%	0.77	45%	0.447	S	S	*	.			trans	-94.7	150.2	168.6	-69.3	-174.2	178.5	-178.5	0	109.9	G898 S902	G898-K900 PolarHBondContact O-N 3.36Å; G898-K900 VanDerWaalsContact O-N 3.07Å; K900-S902 VanDerWaalsContact C-N 3.3Å; K900-S902 PolarHBondContact O-N 2.92Å
901	N	50.4	Low	67.2	Low	75 Å²	75	87.9 Å²	87.9	40%	0.401	47%	0.468	S	S	.	.			trans	-69.6	79.6	178.6	-66.9	-10.2	0	0	0	111.5	Q842 V903	Q842-N901 PolarHBondContact O-ND2 3.35Å; Q842-N901 VanDerWaalsContact O-ND2 3.1Å; N901-V903 PolarHBondContact O-N 3.11Å
902	S	38.9	Very low	66	Low	106 Å²	106	85.4 Å²	85.4	74%	0.741	46%	0.461	S	S	*	.			trans	-74.2	106.3	164	57.8	0	0	0	0	109	K900	K900-S902 VanDerWaalsContact C-N 3.3Å; K900-S902 PolarHBondContact O-N 2.92Å
903	V	34.2	Very low	64.4	Low	129 Å²	129	81.5 Å²	81.5	78%	0.782	45%	0.452	S	S	*	.			trans	-76.8	125.1	172.3	-178.2	0	0	0	0	109.1	N901	N901-V903 PolarHBondContact O-N 3.11Å
904	H	30.7	Very low	62.4	Low	257 Å²	257	88.8 Å²	88.8	100%	1.19	49%	0.492	S	S	*	.			trans	-122.3	0	155.8	-86.4	-41.2	0	0	0	107

Retrieved 904 of 904 residues in 181.3 ms (Link to these results)

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