A0A5K4FBW3_SCHMA Loading...

Tubulin tyrosine ligase-related AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,109 aa.

						>A0A5K4FBW3_SCHMA|A0A5K4FBW3
MLDEGDSSIKNQINSTSLSNHDSKNEWKCGGNTKLLHNSKYLKIMRERKKEEIKANLKDSRYNIVDQCIREAGFTVINNDDINDAYLIWSDNVLPLERIMKLEPYQRANHFPGMIEICRKDLLTKNFSRMQKAEPDEYNFMPNTWILPQEYGYFSNYARKLYRQGCNPCFIQKPANGAMGHGIRLYCDMNKISGNINDNIISVIQEYIEHPLLIDGYKCDLRVYVLVTSCDPLKIFIYNEGLVRLSAEKYVKPSEPNGDSIYRQLTNYSINKHHIEYHHSPDDISGSKRSFAFFNHYIQKVKQSNPYTIWDKIYDLIIKTLIIALPHLIHFYRISRHKSSNQNYITTTTTTTTTTTTTTNSNNNNKHSSKQSGYHQVKQYSTMNNKQFMFNNHPKQPSKTMSTLTSIIPSTIHKSKVFNMNPNKTSFMYSNLFEILGFDILIDEQLNPWLIEVNRSPSFNIDQQLDKQIKYNLLTDTIRLLNIRPSDKSRVEKQQKLTTRKRLYNSHSVQTQNWMYKSNLNIRNDKIHKYFDNNRSSIKKHTNHELFHRDNVNLKTNHQSPFAYQLDIDYLKLMNDQDHVEGKKLSLKIDHLKQQLYRIRQQLSMEFYEHHNCGNWHRIFPSNNSKLQKNYASLIMTSFKQFLHGNQNDLLNEIKTTYLNPITEDDIYDELSKLIKKESKLKPGINVEQYLASVWSHCVDNRDTSDNIDSSSSLEDDDIHNGGNFVHNSLNENYHFSYTKHNENSTNRIHLQNDYFIKSSIDRKMKSMPTLSILPPLKYVSFNGANLKLNSAPVSPCKFLLNENPNVTKQMTDKLSLGKKWKSLDIERNLKHANKRIQTNDYVNNTIAQVSFRPTNQNGGHDNTQLVGDIGDDQSSMGYIDSTNKYLSCTTRSDQKKTSNSKSIASIKVGKHEMNILLDFNNTSNNLHNFKLSSSHLINNKDDYLNKSSMNDQFIPKQLCLLPMIHWNYCTLNEIVPSLFKNKQDQSTLISSIKQQLINYLNKFENMIKNQINLINYYLLISLFNNQLSNKSIYLNKLDQLNSKSLNKEDLLDYFNIQCFNKKRIIIYQHDEWIQSVIHNCLNSLNLMKIEIKLEGRSWVRISRQRDRG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	29.9	Very low	226 Å²	226	143.9 Å²	143.9	100%	1.113	79%	0.791	S	S	*	*				0	102.6	0	-72	174.5	127.2	0	0	106.6
2	L	31	Very low	29.5	Very low	138 Å²	138	144.7 Å²	144.7	72%	0.723	79%	0.785	S	S	*	*				82.8	116.4	102.9	-54.1	-174.6	0	0	0	111.5
3	D	32.7	Very low	29.1	Very low	136 Å²	136	143.6 Å²	143.6	73%	0.727	78%	0.776	S	S	*	*			cis	-155.9	176	-12.1	-107.2	-18.7	0	0	0	112.4
4	E	30.5	Very low	28.7	Very low	189 Å²	189	142.9 Å²	142.9	88%	0.883	77%	0.772	S	S	*	*			trans	-56.7	176.1	-176.9	-52.5	176.5	139.2	0	0	116.8
5	G	34.4	Very low	28.3	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	77%	0.769	S	S	*	*			trans	172.9	58.6	178.9	0	0	0	0	0	116.8
6	D	32.7	Very low	28.2	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	78%	0.778	S	S	*	*			trans	15.1	121.8	158.8	-81.5	-39	0	0	0	121.2
7	S	28.1	Very low	27.9	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	78%	0.779	S	S	*	*				88.4	161	85	103.8	0	0	0	0	113.3
8	S	27.1	Very low	27.8	Very low	95 Å²	95	141.6 Å²	141.6	66%	0.664	79%	0.789	S	S	*	*			cis	-158.2	-165.3	1.1	44.5	0	0	0	0	110.4
9	I	30.6	Very low	27.5	Very low	164 Å²	164	139.2 Å²	139.2	84%	0.841	78%	0.782	S	S	*	*			trans	86.4	136.5	167.7	-54.8	176.2	0	0	0	116.1
10	K	24.7	Very low	27.3	Very low	181 Å²	181	139.7 Å²	139.7	79%	0.787	78%	0.783	S	S	*	*			trans	-118.2	-179.1	-173.9	-59.3	173	176.1	172.2	0	110.5
11	N	25.1	Very low	27.4	Very low	128 Å²	128	142.3 Å²	142.3	68%	0.684	79%	0.789	S	S	*	*			trans	92.1	123.3	143.8	-74.2	-2.6	0	0	0	120.6
12	Q	24.7	Very low	27	Very low	153 Å²	153	138.6 Å²	138.6	72%	0.715	77%	0.773	S	S	*	*				90.8	110.4	126.5	-74.9	178.6	-25.5	0	0	122.3
13	I	24	Very low	26.8	Very low	131 Å²	131	137.4 Å²	137.4	67%	0.672	78%	0.777	S	S	*	*				89.4	132.3	117.5	-70.8	172.5	0	0	0	120.3
14	N	23.7	Very low	26.4	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	78%	0.78	S	S	*	*			trans	61.6	99.7	158.6	-66.4	-3.3	0	0	0	121.9
15	S	23	Very low	26.2	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	78%	0.776	S	S	*	*				22.9	116.9	117.3	61.8	0	0	0	0	119.6
16	T	26.9	Very low	25.8	Very low	147 Å²	147	140.6 Å²	140.6	90%	0.902	77%	0.769	S	S	*	*			trans	-143.7	156.1	141.3	14.4	0	0	0	0	109.6
17	S	22.8	Very low	25.4	Very low	115 Å²	115	144.9 Å²	144.9	80%	0.804	77%	0.774	S	S	*	*			trans	-92.2	144	-170.3	45.9	0	0	0	0	113.3
18	L	26.6	Very low	25.3	Very low	181 Å²	181	147.4 Å²	147.4	95%	0.948	77%	0.773	S	S	*	*			trans	-152.4	148.9	155.1	-106.5	158.1	0	0	0	108.6
19	S	22.6	Very low	25.3	Very low	96 Å²	96	148.7 Å²	148.7	67%	0.671	78%	0.78	S	S	*	*			trans	-119.4	156.8	-160.9	55.3	0	0	0	0	113.9
20	N	23.2	Very low	25	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	78%	0.78	S	S	*	*			trans	43.7	106.8	157.5	-60.3	-11.1	0	0	0	118.7
21	H	28.4	Very low	25	Very low	195 Å²	195	137.7 Å²	137.7	90%	0.903	76%	0.759	S	S	*	*			trans	-156.5	133.5	131.6	-116.7	-72	0	0	0	113.5
22	D	24.2	Very low	25	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	76%	0.762	S	S	*	*			trans	-65.7	145.4	172.8	-80.7	-60.2	0	0	0	112.8
23	S	27.9	Very low	25.2	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	76%	0.756	S	S	*	*			trans	-142.1	136.5	153.3	60.4	0	0	0	0	111.9
24	K	24.3	Very low	25.5	Very low	182 Å²	182	136.8 Å²	136.8	79%	0.791	76%	0.756	S	S	*	*			trans	-105.6	116.2	-171.3	-66.5	163.7	-177.3	158.8	0	110.5	E26	K24-E26 PolarHBondContact O-N 3.33Å
25	N	26.3	Very low	25.7	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	75%	0.753	S	S	*	*			trans	-85.2	94.7	171.7	-80.8	-29.4	0	0	0	111.5	W27	N25-W27 PolarHBondContact O-N 3.04Å
26	E	24.4	Very low	26	Very low	133 Å²	133	138.8 Å²	138.8	62%	0.621	76%	0.757	S	S	*	*			trans	-73.2	113.1	176.9	-69.2	-178.3	105.8	0	0	113.1	K24 K28	K24-E26 PolarHBondContact O-N 3.33Å; E26-K28 HydrophobicContact CB-CD 4.42Å; E26-K28 HydrophobicContact CB-CG 4.3Å; E26-K28 VanDerWaalsContact CD-CE 3.47Å; E26-K28 PolarHBondContact O-N 3.27Å; E26-K28 WeakPolarHBondContact OE1-CE 3.44Å; E26-K28 IonicContact OE1-NZ 2.78Å; E26-K28 PolarHBondContact OE1-NZ 3.08Å; E26-K28 WeakPolarHBondContact OE2-CE 3.38Å; E26-K28 IonicContact OE2-NZ 3.52Å; E26-K28 PolarHBondContact OE2-NZ 3.05Å
27	W	25.9	Very low	26.7	Very low	240 Å²	240	136.4 Å²	136.4	91%	0.909	74%	0.736	S	S	*	*			trans	-80.4	80.7	167.5	-80.8	61.8	0	0	0	111.5	N25 C29	N25-W27 PolarHBondContact O-N 3.04Å; W27-C29 PolarHBondContact O-N 3.11Å; W27-C29 VanDerWaalsContact O-N 3.1Å
28	K	24.1	Very low	28.2	Very low	155 Å²	155	134.2 Å²	134.2	67%	0.674	72%	0.715	S	S	*	*			trans	-78.4	81.9	-180	-87	168.1	169.4	154.6	0	113.3	E26 G30	E26-K28 HydrophobicContact CB-CD 4.42Å; E26-K28 HydrophobicContact CB-CG 4.3Å; E26-K28 VanDerWaalsContact CD-CE 3.47Å; E26-K28 PolarHBondContact O-N 3.27Å; E26-K28 WeakPolarHBondContact OE1-CE 3.44Å; E26-K28 IonicContact OE1-NZ 2.78Å; E26-K28 PolarHBondContact OE1-NZ 3.08Å; E26-K28 WeakPolarHBondContact OE2-CE 3.38Å; E26-K28 IonicContact OE2-NZ 3.52Å; E26-K28 PolarHBondContact OE2-NZ 3.05Å; K28-G30 PolarHBondContact O-N 3.25Å
29	C	27.4	Very low	29.8	Very low	121 Å²	121	128.7 Å²	128.7	82%	0.818	69%	0.692	S	S	*	*			trans	-68.9	108.8	167.4	-67.7	0	0	0	0	111.7	W27	W27-C29 PolarHBondContact O-N 3.11Å; W27-C29 VanDerWaalsContact O-N 3.1Å
30	G	25.5	Very low	32.1	Very low	82 Å²	82	129.9 Å²	129.9	85%	0.845	69%	0.685	S	S	*	*			trans	-72.6	151.5	-177.9	0	0	0	0	0	114.8	K28	K28-G30 PolarHBondContact O-N 3.25Å
31	G	24.9	Very low	34.5	Very low	33 Å²	33	123.6 Å²	123.6	34%	0.34	65%	0.65	S	S	.	*			trans	161.1	75.9	175.9	0	0	0	0	0	114.7	T33 K34	G31-T33 PolarHBondContact O-N 3.48Å; G31-K34 PolarHBondContact O-N 2.8Å
32	N	24.6	Very low	37	Very low	140 Å²	140	117.4 Å²	117.4	75%	0.749	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	52.6	-172.8	-73.8	-10.7	0	0	0	115.5	L35	N32-L35 HydrophobicContact CB-CD1 4.09Å
33	T	27.6	Very low	39.8	Very low	97 Å²	97	115 Å²	115	60%	0.595	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-15.6	160.2	39.8	0	0	0	0	112.5	G31 L35	G31-T33 PolarHBondContact O-N 3.48Å; T33-L35 VanDerWaalsContact C-N 3.26Å; T33-L35 PolarHBondContact O-N 3.33Å
34	K	30.4	Very low	42.4	Very low	155 Å²	155	109.9 Å²	109.9	67%	0.674	57%	0.569	S	S	*	*	S	Bend	trans	-73.5	-5.2	-179.4	-64	-177.4	176.7	-179.9	0	115.4	G31 L36 N38	G31-K34 PolarHBondContact O-N 2.8Å; K34-L36 PolarHBondContact O-N 2.85Å; K34-N38 WeakPolarHBondContact O-CB 3.45Å; K34-N38 PolarHBondContact O-N 2.67Å
35	L	27.9	Very low	45.3	Very low	125 Å²	125	102.9 Å²	102.9	65%	0.654	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-37.5	-158.5	-77.2	163.7	0	0	0	116.3	N32 T33	N32-L35 HydrophobicContact CB-CD1 4.09Å; T33-L35 VanDerWaalsContact C-N 3.26Å; T33-L35 PolarHBondContact O-N 3.33Å
36	L	30.3	Very low	48.2	Very low	156 Å²	156	104.3 Å²	104.3	82%	0.817	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-45.1	178.5	-86.8	158.7	0	0	0	111.9	K34 N38 S39	K34-L36 PolarHBondContact O-N 2.85Å; L36-N38 PolarHBondContact O-N 3.48Å; L36-S39 WeakPolarHBondContact O-CB 3.33Å; L36-S39 PolarHBondContact O-N 3.48Å; L36-S39 PolarHBondContact O-OG 3.11Å
37	H	41.9	Very low	51.2	Low	97 Å²	97	100.4 Å²	100.4	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-33.2	-169.3	-132.7	-78.8	0	0	0	113.8	S39 H611	H37-S39 PolarHBondContact O-N 3.44Å; H37-H611 PolarHBondContact CE1-O 3.42Å; H37-H611 PolarHBondContact ND1-O 3.24Å; H37-H611 AromaticContact NE2-CD2 3.77Å
38	N	53.5	Low	54.3	Low	69 Å²	69	89 Å²	89	37%	0.369	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-20.2	179.1	-146.6	10	0	0	0	112.3	K34 L36 K40 Y41 L42	K34-N38 WeakPolarHBondContact O-CB 3.45Å; K34-N38 PolarHBondContact O-N 2.67Å; L36-N38 PolarHBondContact O-N 3.48Å; N38-K40 PolarHBondContact O-N 2.95Å; N38-Y41 PolarHBondContact O-N 2.92Å; N38-L42 HydrophobicContact CB-CD1 4.14Å; N38-L42 VanDerWaalsContact O-CB 3.27Å; N38-L42 WeakPolarHBondContact O-CB 3.24Å; N38-L42 WeakPolarHBondContact O-CG 3.49Å; N38-L42 PolarHBondContact O-N 3.47Å
39	S	61	Low	57.3	Low	66 Å²	66	87.8 Å²	87.8	46%	0.462	47%	0.467	S	S	.	.	H	α-helix	trans	-61	-46.3	-176.7	68.8	0	0	0	0	113.6	L36 H37 K43	L36-S39 WeakPolarHBondContact O-CB 3.33Å; L36-S39 PolarHBondContact O-N 3.48Å; L36-S39 PolarHBondContact O-OG 3.11Å; H37-S39 PolarHBondContact O-N 3.44Å; S39-K43 WeakPolarHBondContact O-CB 3.47Å; S39-K43 PolarHBondContact O-N 2.81Å
40	K	69.4	Low	60.2	Low	121 Å²	121	90 Å²	90	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-68.9	-38.1	179.2	-70.4	-158.6	175.9	-158.7	0	111.8	N38 K43 I44 D703	N38-K40 PolarHBondContact O-N 2.95Å; K40-K43 PolarHBondContact O-N 3.05Å; K40-I44 WeakPolarHBondContact O-CG1 3.14Å; K40-I44 PolarHBondContact O-N 3.3Å; K40-I44 VanDerWaalsContact O-N 3.11Å; K40-D703 IonicContact NZ-OD2 3.42Å; K40-D703 PolarHBondContact NZ-OD2 2.99Å
41	Y	74.8	Confident	63.2	Low	16 Å²	16	90.9 Å²	90.9	6%	0.063	45%	0.445	C	S	.	.	H	α-helix	trans	-68.2	-48.1	176.3	-175.6	-124.7	0	0	0	111.7	N38 K43 I44 M45 R479	N38-Y41 PolarHBondContact O-N 2.92Å; Y41-K43 VanDerWaalsContact C-N 3.26Å; Y41-K43 PolarHBondContact O-N 2.77Å; Y41-I44 PolarHBondContact O-N 3.23Å; Y41-I44 VanDerWaalsContact O-N 3.15Å; Y41-M45 HydrophobicContact CD1-CG 4.38Å; Y41-M45 HydrophobicContact CD1-SD 3.55Å; Y41-M45 VanDerWaalsContact CD1-SD 3.55Å; Y41-M45 HydrophobicContact CD2-CG 4.34Å; Y41-M45 HydrophobicContact CE1-CG 4.1Å; Y41-M45 HydrophobicContact CE1-SD 3.27Å; Y41-M45 WeakPolarHBondContact CE1-SD 3.16Å; Y41-M45 HydrophobicContact CE2-CG 4.05Å; Y41-M45 HydrophobicContact CE2-SD 4.3Å; Y41-M45 HydrophobicContact CG-CG 4.48Å; Y41-M45 HydrophobicContact CG-SD 4.17Å; Y41-M45 VanDerWaalsContact O-CG 3.29Å; Y41-M45 WeakPolarHBondContact O-CG 3.38Å; Y41-M45 PolarHBondContact O-N 3.47Å; Y41-R479 HydrophobicContact CD2-CB 4.4Å; Y41-R479 HydrophobicContact CD2-CG 3.67Å; Y41-R479 HydrophobicContact CE2-CB 3.95Å; Y41-R479 HydrophobicContact CE2-CG 3.74Å; Y41-R479 HydrophobicContact CG-CG 4.13Å
42	L	79.7	Confident	66.3	Low	64 Å²	64	95.4 Å²	95.4	34%	0.335	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-31.1	175.7	-69.9	169.2	0	0	0	112.9	N38 M45 R46	N38-L42 HydrophobicContact CB-CD1 4.14Å; N38-L42 VanDerWaalsContact O-CB 3.27Å; N38-L42 WeakPolarHBondContact O-CB 3.24Å; N38-L42 WeakPolarHBondContact O-CG 3.49Å; N38-L42 PolarHBondContact O-N 3.47Å; L42-M45 HydrophobicContact CD2-CE 4.49Å; L42-M45 HydrophobicContact CD2-SD 4.03Å; L42-R46 WeakPolarHBondContact O-CD 3.36Å; L42-R46 VanDerWaalsContact O-CG 3.23Å; L42-R46 WeakPolarHBondContact O-CG 3.24Å; L42-R46 PolarHBondContact O-N 2.99Å
43	K	83.5	Confident	69.5	Low	97 Å²	97	89 Å²	89	42%	0.422	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-57.3	169.7	-179.9	-179.3	166.4	179.5	0	110.3	S39 K40 Y41 M45 R46 E47	S39-K43 WeakPolarHBondContact O-CB 3.47Å; S39-K43 PolarHBondContact O-N 2.81Å; K40-K43 PolarHBondContact O-N 3.05Å; Y41-K43 VanDerWaalsContact C-N 3.26Å; Y41-K43 PolarHBondContact O-N 2.77Å; K43-M45 VanDerWaalsContact C-N 3.28Å; K43-M45 PolarHBondContact O-N 2.78Å; K43-R46 WeakPolarHBondContact O-CB 3.29Å; K43-R46 PolarHBondContact O-N 3.13Å; K43-E47 WeakPolarHBondContact CE-OE1 3.47Å; K43-E47 WeakPolarHBondContact CE-OE2 3.46Å; K43-E47 HydrophobicContact CG-CG 4.42Å; K43-E47 IonicContact NZ-OE1 2.81Å; K43-E47 PolarHBondContact NZ-OE1 3.11Å; K43-E47 WeakPolarHBondContact O-CG 3.27Å; K43-E47 PolarHBondContact O-N 3.18Å
44	I	83.3	Confident	72.7	Confident	6 Å²	6	87.3 Å²	87.3	3%	0.031	41%	0.407	C	S	.	.	H	α-helix	trans	-56.9	-40.9	179.7	-66.6	165.6	0	0	0	111.5	K40 Y41 R46 E47 R48	K40-I44 WeakPolarHBondContact O-CG1 3.14Å; K40-I44 PolarHBondContact O-N 3.3Å; K40-I44 VanDerWaalsContact O-N 3.11Å; Y41-I44 PolarHBondContact O-N 3.23Å; Y41-I44 VanDerWaalsContact O-N 3.15Å; I44-R46 PolarHBondContact O-N 3.21Å; I44-E47 PolarHBondContact O-N 2.9Å; I44-R48 HydrophobicContact CG2-CG 4.35Å; I44-R48 WeakPolarHBondContact O-CG 3.26Å; I44-R48 PolarHBondContact O-N 3.4Å
45	M	84.8	Confident	75.8	Confident	35 Å²	35	79.9 Å²	79.9	17%	0.172	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-40.1	175.8	-69.7	170.8	63	0	0	113.2	Y41 L42 K43 K49 E71	Y41-M45 HydrophobicContact CD1-CG 4.38Å; Y41-M45 HydrophobicContact CD1-SD 3.55Å; Y41-M45 VanDerWaalsContact CD1-SD 3.55Å; Y41-M45 HydrophobicContact CD2-CG 4.34Å; Y41-M45 HydrophobicContact CE1-CG 4.1Å; Y41-M45 HydrophobicContact CE1-SD 3.27Å; Y41-M45 WeakPolarHBondContact CE1-SD 3.16Å; Y41-M45 HydrophobicContact CE2-CG 4.05Å; Y41-M45 HydrophobicContact CE2-SD 4.3Å; Y41-M45 HydrophobicContact CG-CG 4.48Å; Y41-M45 HydrophobicContact CG-SD 4.17Å; Y41-M45 VanDerWaalsContact O-CG 3.29Å; Y41-M45 WeakPolarHBondContact O-CG 3.38Å; Y41-M45 PolarHBondContact O-N 3.47Å; L42-M45 HydrophobicContact CD2-CE 4.49Å; L42-M45 HydrophobicContact CD2-SD 4.03Å; K43-M45 VanDerWaalsContact C-N 3.28Å; K43-M45 PolarHBondContact O-N 2.78Å; M45-K49 WeakPolarHBondContact O-CG 3.46Å; M45-K49 PolarHBondContact O-N 2.97Å; M45-E71 WeakPolarHBondContact CE-O 3.41Å
46	R	86.4	Confident	79	Confident	183 Å²	183	74.2 Å²	74.2	69%	0.691	35%	0.345	S	S	*	.	H	α-helix	trans	-69.8	-39	176.8	-72.3	165.5	-179.7	170.1	-1	111.4	L42 K43 I44 K49 K50	L42-R46 WeakPolarHBondContact O-CD 3.36Å; L42-R46 VanDerWaalsContact O-CG 3.23Å; L42-R46 WeakPolarHBondContact O-CG 3.24Å; L42-R46 PolarHBondContact O-N 2.99Å; K43-R46 WeakPolarHBondContact O-CB 3.29Å; K43-R46 PolarHBondContact O-N 3.13Å; I44-R46 PolarHBondContact O-N 3.21Å; R46-K49 PolarHBondContact O-N 3Å; R46-K50 WeakPolarHBondContact O-CB 3.03Å; R46-K50 PolarHBondContact O-N 3.38Å
47	E	87.4	Confident	82.1	Confident	51 Å²	51	67.1 Å²	67.1	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-43.7	177.6	-64.3	170.4	142.6	0	0	110.9	K43 I44 K49 K50 E51 P485	K43-E47 WeakPolarHBondContact CE-OE1 3.47Å; K43-E47 WeakPolarHBondContact CE-OE2 3.46Å; K43-E47 HydrophobicContact CG-CG 4.42Å; K43-E47 IonicContact NZ-OE1 2.81Å; K43-E47 PolarHBondContact NZ-OE1 3.11Å; K43-E47 WeakPolarHBondContact O-CG 3.27Å; K43-E47 PolarHBondContact O-N 3.18Å; I44-E47 PolarHBondContact O-N 2.9Å; E47-K49 VanDerWaalsContact C-N 3.34Å; E47-K49 PolarHBondContact O-N 3.41Å; E47-K50 PolarHBondContact O-N 3.22Å; E47-K50 VanDerWaalsContact O-N 3.15Å; E47-E51 PolarHBondContact O-N 2.91Å; E47-P485 HydrophobicContact CB-CG 3.89Å
48	R	91.3	Very high	84.5	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-56.4	-44	171.9	-71.6	175.4	-172.8	164.1	-4	112.8	I44 E52 I53 A72 G73 F74 I483 P485	I44-R48 HydrophobicContact CG2-CG 4.35Å; I44-R48 WeakPolarHBondContact O-CG 3.26Å; I44-R48 PolarHBondContact O-N 3.4Å; R48-E52 PolarHBondContact O-N 2.78Å; R48-E52 VanDerWaalsContact O-N 3.13Å; R48-I53 HydrophobicContact CB-CB 4.1Å; R48-I53 HydrophobicContact CB-CG1 4.28Å; R48-I53 HydrophobicContact CG-CB 4.22Å; R48-I53 HydrophobicContact CG-CG1 4.35Å; R48-I53 HydrophobicContact CG-CG2 4.45Å; R48-I53 PolarHBondContact O-N 3.38Å; R48-A72 PolarHBondContact NH1-O 2.99Å; R48-G73 CarbonylContact C-O 3.56Å; R48-G73 VanDerWaalsContact CB-O 3.23Å; R48-G73 WeakPolarHBondContact CB-O 3.28Å; R48-F74 VanDerWaalsContact NH1-CE2 3.32Å; R48-I483 PolarHBondContact NE-O 2.62Å; R48-I483 PolarHBondContact NH2-O 3.03Å; R48-P485 HydrophobicContact CG-CG 4.37Å
49	K	88.3	Confident	86.2	Confident	129 Å²	129	65.8 Å²	65.8	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-68.3	-33.2	176.8	-72.7	-170	178.2	-164.5	0	113.1	M45 R46 E47 G73	M45-K49 WeakPolarHBondContact O-CG 3.46Å; M45-K49 PolarHBondContact O-N 2.97Å; R46-K49 PolarHBondContact O-N 3Å; E47-K49 VanDerWaalsContact C-N 3.34Å; E47-K49 PolarHBondContact O-N 3.41Å; K49-G73 WeakPolarHBondContact CG-O 3.24Å; K49-G73 PolarHBondContact N-O 3.04Å
50	K	88.4	Confident	87.7	Confident	166 Å²	166	64 Å²	64	72%	0.722	29%	0.288	S	S	*	.	H	α-helix	trans	-74.9	-35.1	179	-171.7	-161.3	167.9	-145.9	0	112.4	R46 E47	R46-K50 WeakPolarHBondContact O-CB 3.03Å; R46-K50 PolarHBondContact O-N 3.38Å; E47-K50 PolarHBondContact O-N 3.22Å; E47-K50 VanDerWaalsContact O-N 3.15Å
51	E	87.3	Confident	88.9	Confident	102 Å²	102	65.9 Å²	65.9	48%	0.477	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	20.5	-179.8	-66.7	173.6	-132.6	0	0	112	E47 I53 P485	E47-E51 PolarHBondContact O-N 2.91Å; E51-I53 HydrophobicContact CB-CD1 4.09Å; E51-I53 HydrophobicContact CB-CG1 4.18Å; E51-I53 WeakPolarHBondContact O-CD1 3.28Å; E51-I53 PolarHBondContact O-N 3.1Å; E51-P485 HydrophobicContact CB-CB 4.05Å; E51-P485 VanDerWaalsContact CD-CB 3.5Å; E51-P485 HydrophobicContact CG-CB 4.35Å; E51-P485 WeakPolarHBondContact OE2-CB 3.33Å
52	E	89.6	Confident	89.8	Confident	128 Å²	128	65.9 Å²	65.9	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	40.1	176.6	-57.6	-161.9	139.9	0	0	115.3	R48 K54	R48-E52 PolarHBondContact O-N 2.78Å; R48-E52 VanDerWaalsContact O-N 3.13Å; E52-K54 VanDerWaalsContact O-CG 3.28Å; E52-K54 WeakPolarHBondContact O-CG 3.42Å; E52-K54 PolarHBondContact O-N 2.83Å
53	I	92.3	Very high	90.5	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.021	31%	0.311	C	S	.	.			trans	-62.5	115	-166.9	-64.1	-60.3	0	0	0	111.4	R48 E51 F74 T75 Y86 P485	R48-I53 HydrophobicContact CB-CB 4.1Å; R48-I53 HydrophobicContact CB-CG1 4.28Å; R48-I53 HydrophobicContact CG-CB 4.22Å; R48-I53 HydrophobicContact CG-CG1 4.35Å; R48-I53 HydrophobicContact CG-CG2 4.45Å; R48-I53 PolarHBondContact O-N 3.38Å; E51-I53 HydrophobicContact CB-CD1 4.09Å; E51-I53 HydrophobicContact CB-CG1 4.18Å; E51-I53 WeakPolarHBondContact O-CD1 3.28Å; E51-I53 PolarHBondContact O-N 3.1Å; I53-F74 HydrophobicContact CG2-CD1 3.9Å; I53-F74 HydrophobicContact CG2-CE1 3.9Å; I53-F74 CarbonylContact O-C 3.59Å; I53-F74 VanDerWaalsContact O-CA 3.26Å; I53-F74 WeakPolarHBondContact O-CA 3.44Å; I53-F74 WeakPolarHBondContact O-CB 3.41Å; I53-F74 WeakPolarHBondContact O-CD1 3.32Å; I53-T75 PolarHBondContact O-N 2.86Å; I53-Y86 HydrophobicContact CD1-CD2 4.27Å; I53-Y86 HydrophobicContact CD1-CE1 4.12Å; I53-Y86 HydrophobicContact CD1-CE2 3.69Å; I53-Y86 HydrophobicContact CG2-CD1 4.06Å; I53-Y86 HydrophobicContact CG2-CD2 3.82Å; I53-Y86 HydrophobicContact CG2-CE2 4.33Å; I53-Y86 HydrophobicContact CG2-CG 3.65Å; I53-P485 HydrophobicContact CD1-CB 3.81Å; I53-P485 HydrophobicContact CD1-CG 4.35Å; I53-P485 HydrophobicContact CG1-CB 3.91Å; I53-P485 HydrophobicContact CG1-CG 3.89Å
54	K	94.9	Very high	91	Very high	62 Å²	62	65 Å²	65	27%	0.27	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	139.4	-164.1	-60.2	172.9	175	177.9	0	112.3	E52 T75 I77 D84 Y86	E52-K54 VanDerWaalsContact O-CG 3.28Å; E52-K54 WeakPolarHBondContact O-CG 3.42Å; E52-K54 PolarHBondContact O-N 2.83Å; K54-T75 CarbonylContact C-O 3.56Å; K54-T75 VanDerWaalsContact CA-O 3.31Å; K54-T75 WeakPolarHBondContact CA-O 3.27Å; K54-I77 HydrophobicContact CB-CD1 3.89Å; K54-I77 HydrophobicContact CD-CD1 3.58Å; K54-I77 HydrophobicContact CG-CD1 3.7Å; K54-D84 HydrophobicContact CD-CB 3.97Å; K54-D84 IonicContact NZ-OD2 2.74Å; K54-D84 PolarHBondContact NZ-OD2 3.3Å; K54-Y86 PolarHBondContact O-N 3.02Å
55	A	96	Very high	91.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.8	169.3	0	0	0	0	0	110.1	I69 F74 T75 V76 I77 L87	A55-I69 HydrophobicContact CB-CG2 3.64Å; A55-F74 HydrophobicContact CB-CB 3.88Å; A55-F74 HydrophobicContact CB-CD1 4.04Å; A55-F74 HydrophobicContact CB-CG 4.14Å; A55-T75 PolarHBondContact N-O 3.02Å; A55-V76 CarbonylContact O-C 3.57Å; A55-V76 WeakPolarHBondContact O-CA 3.33Å; A55-I77 PolarHBondContact O-N 2.9Å; A55-L87 CarbonylContact C-O 3.45Å; A55-L87 VanDerWaalsContact CA-O 3.22Å; A55-L87 WeakPolarHBondContact CA-O 3.3Å; A55-L87 HydrophobicContact CB-CB 4.04Å
56	N	95.7	Very high	92.1	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.6	177.8	-171.3	-47.7	0	0	0	110.2	K58 I77 N79 D81 A85 L87 W89	N56-K58 WeakPolarHBondContact OD1-CB 3.48Å; N56-K58 PolarHBondContact OD1-N 2.63Å; N56-I77 VanDerWaalsContact CA-O 3.27Å; N56-I77 WeakPolarHBondContact CA-O 3.41Å; N56-N79 PolarHBondContact ND2-O 2.9Å; N56-D81 PolarHBondContact ND2-O 3.46Å; N56-A85 HydrophobicContact CB-CB 3.85Å; N56-L87 PolarHBondContact N-O 3.48Å; N56-W89 PolarHBondContact O-N 3.08Å
57	L	94.4	Very high	92.6	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	15.5	-180	-51.9	-173.7	0	0	0	113.2	D59 S60 V65 D66 I69 V76 I77 W89	L57-D59 PolarHBondContact O-N 2.89Å; L57-D59 VanDerWaalsContact O-N 3.14Å; L57-S60 PolarHBondContact O-N 3.47Å; L57-V65 HydrophobicContact CD2-CG1 4.44Å; L57-D66 HydrophobicContact CD1-CB 3.99Å; L57-I69 HydrophobicContact CD1-CD1 4.24Å; L57-I69 HydrophobicContact CD1-CG2 4.47Å; L57-I69 HydrophobicContact CD2-CD1 3.52Å; L57-V76 HydrophobicContact CB-CG1 4.17Å; L57-V76 HydrophobicContact CD1-CB 4.35Å; L57-V76 HydrophobicContact CD1-CG1 3.69Å; L57-V76 HydrophobicContact CD1-CG2 3.69Å; L57-V76 HydrophobicContact CG-CG1 3.86Å; L57-V76 HydrophobicContact CG-CG2 4.32Å; L57-I77 PolarHBondContact N-O 2.75Å; L57-W89 HydrophobicContact CD2-CB 3.54Å; L57-W89 HydrophobicContact CD2-CG 4.45Å
58	K	91.9	Very high	93	Very high	87 Å²	87	57.5 Å²	57.5	38%	0.378	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	-42.4	-176.5	177.8	-177.7	169.2	-178	0	112.5	N56 S60 D80	N56-K58 WeakPolarHBondContact OD1-CB 3.48Å; N56-K58 PolarHBondContact OD1-N 2.63Å; K58-S60 VanDerWaalsContact C-N 3.3Å; K58-S60 PolarHBondContact O-N 3.35Å; K58-D80 IonicContact NZ-OD1 3.29Å; K58-D80 PolarHBondContact NZ-OD1 3.21Å; K58-D80 IonicContact NZ-OD2 2.72Å; K58-D80 PolarHBondContact NZ-OD2 3.5Å
59	D	90.3	Very high	93.2	Very high	51 Å²	51	57.5 Å²	57.5	27%	0.273	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	22.1	-175	-60.9	-29.1	0	0	0	112.5	L57 S90 D91 R98	L57-D59 PolarHBondContact O-N 2.89Å; L57-D59 VanDerWaalsContact O-N 3.14Å; D59-S90 WeakPolarHBondContact CB-OG 3.44Å; D59-S90 WeakPolarHBondContact O-CA 3.45Å; D59-D91 PolarHBondContact O-N 3.21Å; D59-R98 IonicContact OD2-CZ 3.5Å; D59-R98 IonicContact OD2-NH1 2.71Å; D59-R98 PolarHBondContact OD2-NH1 3.39Å
60	S	92.7	Very high	93.5	Very high	28 Å²	28	56.9 Å²	56.9	20%	0.196	26%	0.26	C	S	.	.			trans	-118.9	137.4	175.7	-165.7	0	0	0	0	112.8	L57 K58 D91	L57-S60 PolarHBondContact O-N 3.47Å; K58-S60 VanDerWaalsContact C-N 3.3Å; K58-S60 PolarHBondContact O-N 3.35Å; S60-D91 WeakPolarHBondContact CA-OD2 3.49Å; S60-D91 PolarHBondContact OG-OD1 3.04Å
61	R	93	Very high	93.8	Very high	160 Å²	160	52.4 Å²	52.4	60%	0.604	24%	0.241	S	C	*	.			trans	-107.5	0.7	-179.2	79.8	-154.1	176.2	148.2	-3.1	114.3	D91	R61-D91 VanDerWaalsContact CG-OD2 3.3Å; R61-D91 WeakPolarHBondContact CG-OD2 3.28Å; R61-D91 PolarHBondContact N-OD2 3.46Å; R61-D91 IonicContact NE-OD2 2.75Å
62	Y	94.4	Very high	94	Very high	17 Å²	17	47.6 Å²	47.6	7%	0.067	22%	0.22	C	C	.	.			trans	-99.2	103.3	-170	-67.6	-70.3	0	0	0	111.6	I64 V65 D91 S458 F459 N460	Y62-I64 PolarHBondContact O-N 2.89Å; Y62-V65 WeakPolarHBondContact O-CB 3.5Å; Y62-V65 PolarHBondContact O-N 2.94Å; Y62-D91 VanDerWaalsContact CD2-CG 3.47Å; Y62-D91 WeakPolarHBondContact CD2-OD1 3.43Å; Y62-D91 WeakPolarHBondContact CD2-OD2 3.5Å; Y62-D91 HydrophobicContact CE2-CB 4.31Å; Y62-D91 VanDerWaalsContact CE2-OD2 3.32Å; Y62-D91 WeakPolarHBondContact CE2-OD2 3.23Å; Y62-S458 WeakPolarHBondContact OH-CA 3.48Å; Y62-S458 PolarHBondContact OH-OG 3.43Å; Y62-F459 VanDerWaalsContact CD1-C 3.4Å; Y62-F459 HydrophobicContact CD1-CB 3.76Å; Y62-F459 HydrophobicContact CD2-CB 4.11Å; Y62-F459 HydrophobicContact CD2-CD2 4.01Å; Y62-F459 HydrophobicContact CE1-CB 4.12Å; Y62-F459 HydrophobicContact CE2-CB 4.46Å; Y62-F459 HydrophobicContact CE2-CD2 4.15Å; Y62-F459 HydrophobicContact CG-CB 3.76Å; Y62-F459 HydrophobicContact CG-CD2 4.49Å; Y62-N460 VanDerWaalsContact CE1-N 3.32Å; Y62-N460 WeakPolarHBondContact CE1-OD1 3.43Å
63	N	93.6	Very high	94.2	Very high	139 Å²	139	41.6 Å²	41.6	74%	0.743	19%	0.192	S	C	*	.	H	α-helix	trans	-52.5	-29.6	179.9	-63.2	0.8	0	0	0	114	V65 D66 Q67	N63-V65 VanDerWaalsContact C-N 3.34Å; N63-D66 PolarHBondContact O-N 3.45Å; N63-Q67 PolarHBondContact O-N 3.4Å
64	I	95.1	Very high	94.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-68.4	-29.1	176	-170.9	159.8	0	0	0	113.4	Y62 C68 F459 I461 K470 L474	Y62-I64 PolarHBondContact O-N 2.89Å; I64-C68 WeakPolarHBondContact O-CB 3.43Å; I64-C68 PolarHBondContact O-N 2.84Å; I64-C68 PolarHBondContact O-SG 3.27Å; I64-F459 HydrophobicContact CG2-CB 4.1Å; I64-F459 WeakPolarHBondContact CG2-O 3.47Å; I64-I461 HydrophobicContact CB-CG2 4.39Å; I64-I461 HydrophobicContact CD1-CG2 3.6Å; I64-I461 HydrophobicContact CG2-CG2 4.34Å; I64-K470 HydrophobicContact CD1-CB 4.2Å; I64-L474 HydrophobicContact CG1-CD1 4.14Å; I64-L474 HydrophobicContact CG2-CD1 3.98Å
65	V	96.1	Very high	94.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-46.1	174.5	175.2	0	0	0	0	109.7	L57 Y62 N63 C68 I69 W89 F459 L474	L57-V65 HydrophobicContact CD2-CG1 4.44Å; Y62-V65 WeakPolarHBondContact O-CB 3.5Å; Y62-V65 PolarHBondContact O-N 2.94Å; N63-V65 VanDerWaalsContact C-N 3.34Å; V65-C68 PolarHBondContact O-N 3.34Å; V65-I69 HydrophobicContact CG1-CD1 3.67Å; V65-I69 WeakPolarHBondContact O-CB 3.46Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.35Å; V65-I69 PolarHBondContact O-N 2.84Å; V65-W89 HydrophobicContact CG1-CD2 3.71Å; V65-W89 HydrophobicContact CG1-CE3 4.22Å; V65-W89 HydrophobicContact CG1-CG 3.86Å; V65-W89 HydrophobicContact CG1-CZ2 4.36Å; V65-W89 HydrophobicContact CG2-CZ2 4.12Å; V65-F459 HydrophobicContact CG2-CD2 4.49Å; V65-L474 HydrophobicContact CG2-CD1 3.83Å; V65-L474 HydrophobicContact CG2-CD2 4.23Å
66	D	95.9	Very high	94.2	Very high	45 Å²	45	42.4 Å²	42.4	24%	0.241	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-48.5	172.9	178	89.2	0	0	0	111.7	L57 N63 I69 R70	L57-D66 HydrophobicContact CD1-CB 3.99Å; N63-D66 PolarHBondContact O-N 3.45Å; D66-I69 PolarHBondContact O-N 3.33Å; D66-R70 WeakPolarHBondContact O-CG 3.33Å; D66-R70 PolarHBondContact O-N 3.25Å; D66-R70 IonicContact OD1-CZ 3.5Å; D66-R70 VanDerWaalsContact OD1-CZ 3.26Å; D66-R70 IonicContact OD1-NE 2.88Å; D66-R70 PolarHBondContact OD1-NE 2.87Å; D66-R70 IonicContact OD1-NH2 3.26Å; D66-R70 PolarHBondContact OD1-NH2 2.83Å; D66-R70 WeakPolarHBondContact OD2-CD 3.41Å; D66-R70 IonicContact OD2-CZ 3.59Å; D66-R70 IonicContact OD2-NE 3.71Å; D66-R70 PolarHBondContact OD2-NE 3.32Å; D66-R70 IonicContact OD2-NH2 2.7Å
67	Q	95.2	Very high	94.1	Very high	69 Å²	69	44.2 Å²	44.2	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-55.1	-57.1	176	-175.4	-174.4	-7.8	0	0	111.7	N63 I69 R70 E71	N63-Q67 PolarHBondContact O-N 3.4Å; Q67-I69 PolarHBondContact O-N 2.96Å; Q67-R70 PolarHBondContact O-N 2.95Å; Q67-E71 HydrophobicContact CG-CG 4.43Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.49Å; Q67-E71 PolarHBondContact NE2-OE1 2.99Å; Q67-E71 WeakPolarHBondContact O-CB 3.3Å; Q67-E71 VanDerWaalsContact O-CG 3.32Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 3.48Å
68	C	96	Very high	93.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-34.1	-178	-71.5	0	0	0	0	112.5	I64 V65 A72 Y471 L474 T475 I478	I64-C68 WeakPolarHBondContact O-CB 3.43Å; I64-C68 PolarHBondContact O-N 2.84Å; I64-C68 PolarHBondContact O-SG 3.27Å; V65-C68 PolarHBondContact O-N 3.34Å; C68-A72 WeakPolarHBondContact O-CB 3.27Å; C68-A72 PolarHBondContact O-N 3.01Å; C68-Y471 VanDerWaalsContact SG-CD2 3.55Å; C68-L474 HydrophobicContact CB-CB 4.07Å; C68-T475 PolarHBondContact SG-OG1 3.24Å; C68-I478 HydrophobicContact CB-CD1 3.79Å
69	I	95.8	Very high	93.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-77.2	-42.1	-178.1	-72.3	175.1	0	0	0	111.8	A55 L57 V65 D66 Q67 A72 G73 F74 V76 L87 W89 I478	A55-I69 HydrophobicContact CB-CG2 3.64Å; L57-I69 HydrophobicContact CD1-CD1 4.24Å; L57-I69 HydrophobicContact CD1-CG2 4.47Å; L57-I69 HydrophobicContact CD2-CD1 3.52Å; V65-I69 HydrophobicContact CG1-CD1 3.67Å; V65-I69 WeakPolarHBondContact O-CB 3.46Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.35Å; V65-I69 PolarHBondContact O-N 2.84Å; D66-I69 PolarHBondContact O-N 3.33Å; Q67-I69 PolarHBondContact O-N 2.96Å; I69-A72 PolarHBondContact O-N 3.46Å; I69-G73 PolarHBondContact O-N 3.1Å; I69-F74 HydrophobicContact CG2-CB 3.68Å; I69-F74 HydrophobicContact CG2-CD2 4.11Å; I69-F74 HydrophobicContact CG2-CG 4.08Å; I69-F74 WeakPolarHBondContact O-CD2 3.28Å; I69-F74 PolarHBondContact O-N 3.32Å; I69-V76 HydrophobicContact CG2-CG2 3.94Å; I69-L87 HydrophobicContact CD1-CD2 3.78Å; I69-L87 HydrophobicContact CG1-CD2 4.17Å; I69-W89 HydrophobicContact CD1-CE3 4.36Å; I69-I478 HydrophobicContact CG1-CD1 3.55Å; I69-I478 HydrophobicContact CG1-CG1 4.33Å
70	R	95	Very high	93.5	Very high	116 Å²	116	50.7 Å²	50.7	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-42	171.5	-68	-178.5	-164.1	-85.7	-9.2	111.8	D66 Q67 G73 V76	D66-R70 WeakPolarHBondContact O-CG 3.33Å; D66-R70 PolarHBondContact O-N 3.25Å; D66-R70 IonicContact OD1-CZ 3.5Å; D66-R70 VanDerWaalsContact OD1-CZ 3.26Å; D66-R70 IonicContact OD1-NE 2.88Å; D66-R70 PolarHBondContact OD1-NE 2.87Å; D66-R70 IonicContact OD1-NH2 3.26Å; D66-R70 PolarHBondContact OD1-NH2 2.83Å; D66-R70 WeakPolarHBondContact OD2-CD 3.41Å; D66-R70 IonicContact OD2-CZ 3.59Å; D66-R70 IonicContact OD2-NE 3.71Å; D66-R70 PolarHBondContact OD2-NE 3.32Å; D66-R70 IonicContact OD2-NH2 2.7Å; Q67-R70 PolarHBondContact O-N 2.95Å; R70-G73 PolarHBondContact O-N 2.89Å; R70-G73 VanDerWaalsContact O-N 3.12Å; R70-V76 HydrophobicContact CG-CG2 3.74Å
71	E	93.7	Very high	93.1	Very high	72 Å²	72	52.9 Å²	52.9	34%	0.336	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-39.8	176.9	-74.3	178.8	-168.4	0	0	111.8	M45 Q67 G73 Y471	M45-E71 WeakPolarHBondContact CE-O 3.41Å; Q67-E71 HydrophobicContact CG-CG 4.43Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.49Å; Q67-E71 PolarHBondContact NE2-OE1 2.99Å; Q67-E71 WeakPolarHBondContact O-CB 3.3Å; Q67-E71 VanDerWaalsContact O-CG 3.32Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 3.48Å; E71-G73 PolarHBondContact O-N 3.48Å; E71-G73 VanDerWaalsContact O-N 3.14Å; E71-Y471 VanDerWaalsContact OE2-CE2 3.23Å; E71-Y471 WeakPolarHBondContact OE2-CE2 3.27Å; E71-Y471 VanDerWaalsContact OE2-CZ 3.29Å; E71-Y471 PolarHBondContact OE2-OH 3.49Å
72	A	93.3	Very high	92.7	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	1.1	173.3	0	0	0	0	0	115	R48 C68 I69 F74 I478	R48-A72 PolarHBondContact NH1-O 2.99Å; C68-A72 WeakPolarHBondContact O-CB 3.27Å; C68-A72 PolarHBondContact O-N 3.01Å; I69-A72 PolarHBondContact O-N 3.46Å; A72-F74 HydrophobicContact CB-CD2 4.18Å; A72-F74 HydrophobicContact CB-CE2 4.22Å; A72-I478 HydrophobicContact CB-CB 4.38Å; A72-I478 HydrophobicContact CB-CG2 3.46Å; A72-I478 VanDerWaalsContact CB-CG2 3.46Å
73	G	93	Very high	92.3	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	14.3	167.8	0	0	0	0	0	116.5	R48 K49 I69 R70 E71	R48-G73 CarbonylContact C-O 3.56Å; R48-G73 VanDerWaalsContact CB-O 3.23Å; R48-G73 WeakPolarHBondContact CB-O 3.28Å; K49-G73 WeakPolarHBondContact CG-O 3.24Å; K49-G73 PolarHBondContact N-O 3.04Å; I69-G73 PolarHBondContact O-N 3.1Å; R70-G73 PolarHBondContact O-N 2.89Å; R70-G73 VanDerWaalsContact O-N 3.12Å; E71-G73 PolarHBondContact O-N 3.48Å; E71-G73 VanDerWaalsContact O-N 3.14Å
74	F	95.2	Very high	92	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.039	24%	0.24	C	C	.	.			trans	-89.9	149.9	177.7	-65.1	-96.7	0	0	0	112.7	R48 I53 A55 I69 A72 L87 I478 I483	R48-F74 VanDerWaalsContact NH1-CE2 3.32Å; I53-F74 HydrophobicContact CG2-CD1 3.9Å; I53-F74 HydrophobicContact CG2-CE1 3.9Å; I53-F74 CarbonylContact O-C 3.59Å; I53-F74 VanDerWaalsContact O-CA 3.26Å; I53-F74 WeakPolarHBondContact O-CA 3.44Å; I53-F74 WeakPolarHBondContact O-CB 3.41Å; I53-F74 WeakPolarHBondContact O-CD1 3.32Å; A55-F74 HydrophobicContact CB-CB 3.88Å; A55-F74 HydrophobicContact CB-CD1 4.04Å; A55-F74 HydrophobicContact CB-CG 4.14Å; I69-F74 HydrophobicContact CG2-CB 3.68Å; I69-F74 HydrophobicContact CG2-CD2 4.11Å; I69-F74 HydrophobicContact CG2-CG 4.08Å; I69-F74 WeakPolarHBondContact O-CD2 3.28Å; I69-F74 PolarHBondContact O-N 3.32Å; A72-F74 HydrophobicContact CB-CD2 4.18Å; A72-F74 HydrophobicContact CB-CE2 4.22Å; F74-L87 HydrophobicContact CE1-CB 4.29Å; F74-I478 HydrophobicContact CD2-CG2 4.5Å; F74-I478 HydrophobicContact CE2-CG2 3.7Å; F74-I483 HydrophobicContact CE1-CB 4.42Å; F74-I483 HydrophobicContact CE1-CD1 4.32Å; F74-I483 HydrophobicContact CE1-CG2 4.07Å; F74-I483 HydrophobicContact CZ-CB 4.1Å; F74-I483 HydrophobicContact CZ-CD1 4.05Å; F74-I483 HydrophobicContact CZ-CG2 4.26Å
75	T	94.2	Very high	91.9	Very high	55 Å²	55	47 Å²	47	34%	0.337	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113.5	165.5	-59.7	0	0	0	0	108.8	I53 K54 A55	I53-T75 PolarHBondContact O-N 2.86Å; K54-T75 CarbonylContact C-O 3.56Å; K54-T75 VanDerWaalsContact CA-O 3.31Å; K54-T75 WeakPolarHBondContact CA-O 3.27Å; A55-T75 PolarHBondContact N-O 3.02Å
76	V	94.3	Very high	91.8	Very high	19 Å²	19	48 Å²	48	12%	0.115	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.6	-179.5	170	0	0	0	0	111.4	A55 L57 I69 R70	A55-V76 CarbonylContact O-C 3.57Å; A55-V76 WeakPolarHBondContact O-CA 3.33Å; L57-V76 HydrophobicContact CB-CG1 4.17Å; L57-V76 HydrophobicContact CD1-CB 4.35Å; L57-V76 HydrophobicContact CD1-CG1 3.69Å; L57-V76 HydrophobicContact CD1-CG2 3.69Å; L57-V76 HydrophobicContact CG-CG1 3.86Å; L57-V76 HydrophobicContact CG-CG2 4.32Å; I69-V76 HydrophobicContact CG2-CG2 3.94Å; R70-V76 HydrophobicContact CG-CG2 3.74Å
77	I	93.5	Very high	91.7	Very high	43 Å²	43	45.8 Å²	45.8	22%	0.221	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.9	176.8	-60.7	-173.9	0	0	0	109.9	K54 A55 N56 L57 N79	K54-I77 HydrophobicContact CB-CD1 3.89Å; K54-I77 HydrophobicContact CD-CD1 3.58Å; K54-I77 HydrophobicContact CG-CD1 3.7Å; A55-I77 PolarHBondContact O-N 2.9Å; N56-I77 VanDerWaalsContact CA-O 3.27Å; N56-I77 WeakPolarHBondContact CA-O 3.41Å; L57-I77 PolarHBondContact N-O 2.75Å; I77-N79 HydrophobicContact CG2-CB 4.3Å; I77-N79 VanDerWaalsContact CG2-CG 3.47Å; I77-N79 WeakPolarHBondContact CG2-OD1 3.29Å
78	N	89.4	Confident	91.7	Very high	106 Å²	106	42.9 Å²	42.9	57%	0.567	22%	0.219	S	C	*	.			trans	-122.1	53.6	-177.5	-65.4	-14.1	0	0	0	111.4
79	N	88.9	Confident	91.7	Very high	72 Å²	72	43.1 Å²	43.1	39%	0.385	22%	0.22	S	C	.	.	S	Bend	trans	-125.3	177	176.8	71.4	3.8	0	0	0	111.1	N56 I77 D81	N56-N79 PolarHBondContact ND2-O 2.9Å; I77-N79 HydrophobicContact CG2-CB 4.3Å; I77-N79 VanDerWaalsContact CG2-CG 3.47Å; I77-N79 WeakPolarHBondContact CG2-OD1 3.29Å; N79-D81 VanDerWaalsContact C-N 3.26Å; N79-D81 PolarHBondContact O-N 3.47Å; N79-D81 PolarHBondContact OD1-N 3.11Å; N79-D81 VanDerWaalsContact OD1-N 3.11Å; N79-D81 PolarHBondContact OD1-O 3.48Å; N79-D81 VanDerWaalsContact OD1-O 3.12Å
80	D	84.8	Confident	91.6	Very high	105 Å²	105	43.2 Å²	43.2	56%	0.561	22%	0.221	S	C	*	.	S	Bend	trans	-76.9	-7.6	176.7	-73.9	-80	0	0	0	114.4	K58 I82	K58-D80 IonicContact NZ-OD1 3.29Å; K58-D80 PolarHBondContact NZ-OD1 3.21Å; K58-D80 IonicContact NZ-OD2 2.72Å; K58-D80 PolarHBondContact NZ-OD2 3.5Å; D80-I82 PolarHBondContact O-N 3.46Å
81	D	84.7	Confident	91.5	Very high	74 Å²	74	38.5 Å²	38.5	40%	0.396	20%	0.204	S	C	.	.			trans	-82.8	114.9	179.3	-168.7	0.3	0	0	0	110.8	N56 N79 N83	N56-D81 PolarHBondContact ND2-O 3.46Å; N79-D81 VanDerWaalsContact C-N 3.26Å; N79-D81 PolarHBondContact O-N 3.47Å; N79-D81 PolarHBondContact OD1-N 3.11Å; N79-D81 VanDerWaalsContact OD1-N 3.11Å; N79-D81 PolarHBondContact OD1-O 3.48Å; N79-D81 VanDerWaalsContact OD1-O 3.12Å; D81-N83 VanDerWaalsContact OD1-CB 3.32Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 VanDerWaalsContact OD1-CG 3.3Å; D81-N83 PolarHBondContact OD1-N 3.2Å; D81-N83 PolarHBondContact OD1-ND2 2.85Å
82	I	85.5	Confident	91.2	Very high	24 Å²	24	40.5 Å²	40.5	12%	0.123	22%	0.217	C	C	.	.			trans	-104.6	-6.7	176.1	63.3	170.2	0	0	0	112.8	D80 D84 A85 I88 R98 Q106	D80-I82 PolarHBondContact O-N 3.46Å; I82-D84 VanDerWaalsContact C-N 3.3Å; I82-D84 PolarHBondContact O-N 2.8Å; I82-A85 PolarHBondContact O-N 2.79Å; I82-I88 HydrophobicContact CB-CD1 3.9Å; I82-I88 HydrophobicContact CB-CG1 4.35Å; I82-I88 HydrophobicContact CD1-CD1 4.4Å; I82-I88 HydrophobicContact CG2-CD1 4.39Å; I82-I88 HydrophobicContact CG2-CG1 4.48Å; I82-R98 HydrophobicContact CD1-CB 4.38Å; I82-Q106 PolarHBondContact O-NE2 2.76Å
83	N	84.6	Confident	90.7	Very high	108 Å²	108	44.1 Å²	44.1	58%	0.578	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-38.9	-170	-61.4	-60.1	0	0	0	111.9	D81 Y105 Q106	D81-N83 VanDerWaalsContact OD1-CB 3.32Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 VanDerWaalsContact OD1-CG 3.3Å; D81-N83 PolarHBondContact OD1-N 3.2Å; D81-N83 PolarHBondContact OD1-ND2 2.85Å; N83-Y105 PolarHBondContact O-OH 2.71Å; N83-Q106 PolarHBondContact O-NE2 3.19Å
84	D	87.4	Confident	90.3	Very high	58 Å²	58	44.6 Å²	44.6	31%	0.31	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.5	-174.6	-133.7	27.4	0	0	0	113.6	K54 I82 K488	K54-D84 HydrophobicContact CD-CB 3.97Å; K54-D84 IonicContact NZ-OD2 2.74Å; K54-D84 PolarHBondContact NZ-OD2 3.3Å; I82-D84 VanDerWaalsContact C-N 3.3Å; I82-D84 PolarHBondContact O-N 2.8Å; D84-K488 IonicContact OD1-NZ 2.72Å; D84-K488 PolarHBondContact OD1-NZ 3.02Å
85	A	92.7	Very high	89.8	Confident	5 Å²	5	47 Å²	47	4%	0.041	26%	0.258	C	S	.	.			trans	-79.2	131.5	179.1	0	0	0	0	0	111.7	N56 I82 I88 Q106	N56-A85 HydrophobicContact CB-CB 3.85Å; I82-A85 PolarHBondContact O-N 2.79Å; A85-I88 HydrophobicContact CB-CG1 3.96Å; A85-Q106 WeakPolarHBondContact O-CG 3.38Å; A85-Q106 PolarHBondContact O-NE2 3.03Å
86	Y	94.3	Very high	89.4	Confident	23 Å²	23	46.9 Å²	46.9	9%	0.09	26%	0.255	C	S	.	.	S	Bend	trans	-85.8	-29.5	173.6	-77.2	-116.3	0	0	0	112	I53 K54 Y105 Q106 R107 I483 P485 D487 K488	I53-Y86 HydrophobicContact CD1-CD2 4.27Å; I53-Y86 HydrophobicContact CD1-CE1 4.12Å; I53-Y86 HydrophobicContact CD1-CE2 3.69Å; I53-Y86 HydrophobicContact CG2-CD1 4.06Å; I53-Y86 HydrophobicContact CG2-CD2 3.82Å; I53-Y86 HydrophobicContact CG2-CE2 4.33Å; I53-Y86 HydrophobicContact CG2-CG 3.65Å; K54-Y86 PolarHBondContact O-N 3.02Å; Y86-Y105 AromaticContact CD1-CD2 4Å; Y86-Y105 HydrophobicContact CD1-CD2 4Å; Y86-Y105 HydrophobicContact CD2-CD2 4.42Å; Y86-Y105 HydrophobicContact CD2-CE2 4.39Å; Y86-Y105 HydrophobicContact CE1-CD2 4.14Å; Y86-Y105 HydrophobicContact CE2-CE2 4.47Å; Y86-Y105 HydrophobicContact CG-CD2 4.16Å; Y86-Q106 CarbonylContact O-C 3.46Å; Y86-Q106 WeakPolarHBondContact O-CA 3.26Å; Y86-R107 PolarHBondContact O-N 2.83Å; Y86-I483 HydrophobicContact CD1-CG2 4.03Å; Y86-I483 HydrophobicContact CG-CG2 4.43Å; Y86-P485 PolarHBondContact OH-O 3.15Å; Y86-D487 HydrophobicContact CE1-CB 4.32Å; Y86-K488 HydrophobicContact CE1-CB 4.09Å; Y86-K488 WeakPolarHBondContact OH-CB 3.26Å
87	L	95.2	Very high	89	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.4	173.3	177.9	60.2	0	0	0	108.9	A55 N56 I69 F74 R107 F433 L481 I483	A55-L87 CarbonylContact C-O 3.45Å; A55-L87 VanDerWaalsContact CA-O 3.22Å; A55-L87 WeakPolarHBondContact CA-O 3.3Å; A55-L87 HydrophobicContact CB-CB 4.04Å; N56-L87 PolarHBondContact N-O 3.48Å; I69-L87 HydrophobicContact CD1-CD2 3.78Å; I69-L87 HydrophobicContact CG1-CD2 4.17Å; F74-L87 HydrophobicContact CE1-CB 4.29Å; L87-R107 CarbonylContact C-O 3.59Å; L87-R107 WeakPolarHBondContact CA-O 3.34Å; L87-R107 HydrophobicContact CD1-CB 4.18Å; L87-F433 HydrophobicContact CD1-CE1 3.8Å; L87-F433 HydrophobicContact CD1-CZ 4.02Å; L87-L481 HydrophobicContact CD1-CD1 4.49Å; L87-I483 HydrophobicContact CB-CD1 3.97Å; L87-I483 HydrophobicContact CD1-CD1 4.2Å; L87-I483 HydrophobicContact CG-CD1 4.49Å
88	I	95	Very high	88.7	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.1	175.7	-63.2	158.9	0	0	0	106.7	I82 A85 L94 L102 R107 A108 N109	I82-I88 HydrophobicContact CB-CD1 3.9Å; I82-I88 HydrophobicContact CB-CG1 4.35Å; I82-I88 HydrophobicContact CD1-CD1 4.4Å; I82-I88 HydrophobicContact CG2-CD1 4.39Å; I82-I88 HydrophobicContact CG2-CG1 4.48Å; A85-I88 HydrophobicContact CB-CG1 3.96Å; I88-L94 HydrophobicContact CG2-CD1 4.31Å; I88-L94 HydrophobicContact CG2-CD2 4.43Å; I88-L102 HydrophobicContact CD1-CD2 3.43Å; I88-L102 VanDerWaalsContact CD1-CD2 3.43Å; I88-R107 PolarHBondContact N-O 2.91Å; I88-A108 HydrophobicContact CB-CB 4.25Å; I88-A108 WeakPolarHBondContact O-CA 3.3Å; I88-N109 PolarHBondContact O-OD1 2.81Å
89	W	95.6	Very high	88.6	Confident	6 Å²	6	48.9 Å²	48.9	2%	0.023	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.6	177	-163.3	-71.8	0	0	0	110.2	N56 L57 V65 I69 D91 N109 F433 I435 F459 L474	N56-W89 PolarHBondContact O-N 3.08Å; L57-W89 HydrophobicContact CD2-CB 3.54Å; L57-W89 HydrophobicContact CD2-CG 4.45Å; V65-W89 HydrophobicContact CG1-CD2 3.71Å; V65-W89 HydrophobicContact CG1-CE3 4.22Å; V65-W89 HydrophobicContact CG1-CG 3.86Å; V65-W89 HydrophobicContact CG1-CZ2 4.36Å; V65-W89 HydrophobicContact CG2-CZ2 4.12Å; I69-W89 HydrophobicContact CD1-CE3 4.36Å; W89-D91 PolarHBondContact NE1-OD1 2.81Å; W89-N109 WeakPolarHBondContact CA-OD1 3.34Å; W89-N109 HydrophobicContact CD2-CB 4.25Å; W89-N109 HydrophobicContact CE3-CB 4.18Å; W89-F433 HydrophobicContact CE3-CZ 4.12Å; W89-F433 AromaticContact CZ3-CE2 3.95Å; W89-F433 HydrophobicContact CZ3-CE2 3.95Å; W89-F433 AromaticContact CZ3-CZ 3.9Å; W89-F433 HydrophobicContact CZ3-CZ 3.9Å; W89-I435 HydrophobicContact CH2-CD1 3.98Å; W89-F459 AromaticContact CZ2-CE2 3.95Å; W89-F459 HydrophobicContact CZ2-CE2 3.95Å; W89-F459 HydrophobicContact CZ2-CZ 4.38Å; W89-L474 HydrophobicContact CH2-CD2 3.42Å; W89-L474 VanDerWaalsContact CH2-CD2 3.42Å; W89-L474 HydrophobicContact CZ2-CD2 3.79Å; W89-L474 HydrophobicContact CZ3-CD2 4.33Å
90	S	93.8	Very high	88.5	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.3	170.8	-171.9	0	0	0	0	109	D59 N92 N109 H110	D59-S90 WeakPolarHBondContact CB-OG 3.44Å; D59-S90 WeakPolarHBondContact O-CA 3.45Å; S90-N92 WeakPolarHBondContact CB-O 3.34Å; S90-N92 PolarHBondContact O-N 3.48Å; S90-N92 PolarHBondContact OG-N 2.7Å; S90-N92 PolarHBondContact OG-O 2.88Å; S90-N109 PolarHBondContact N-OD1 3.37Å; S90-N109 PolarHBondContact O-ND2 3.24Å; S90-N109 PolarHBondContact O-OD1 2.79Å; S90-H110 PolarHBondContact O-NE2 2.84Å; S90-H110 VanDerWaalsContact O-NE2 3.16Å
91	D	92.5	Very high	88.6	Confident	16 Å²	16	49.8 Å²	49.8	9%	0.086	25%	0.253	C	S	.	.	S	Bend	trans	-78.1	-11.8	169.8	-59.1	-18.4	0	0	0	111.4	D59 S60 R61 Y62 W89 S456	D59-D91 PolarHBondContact O-N 3.21Å; S60-D91 WeakPolarHBondContact CA-OD2 3.49Å; S60-D91 PolarHBondContact OG-OD1 3.04Å; R61-D91 VanDerWaalsContact CG-OD2 3.3Å; R61-D91 WeakPolarHBondContact CG-OD2 3.28Å; R61-D91 PolarHBondContact N-OD2 3.46Å; R61-D91 IonicContact NE-OD2 2.75Å; Y62-D91 VanDerWaalsContact CD2-CG 3.47Å; Y62-D91 WeakPolarHBondContact CD2-OD1 3.43Å; Y62-D91 WeakPolarHBondContact CD2-OD2 3.5Å; Y62-D91 HydrophobicContact CE2-CB 4.31Å; Y62-D91 VanDerWaalsContact CE2-OD2 3.32Å; Y62-D91 WeakPolarHBondContact CE2-OD2 3.23Å; W89-D91 PolarHBondContact NE1-OD1 2.81Å; D91-S456 VanDerWaalsContact O-CB 3.23Å; D91-S456 WeakPolarHBondContact O-CB 3.38Å; D91-S456 PolarHBondContact O-OG 2.78Å
92	N	86.8	Confident	88.8	Confident	114 Å²	114	47.5 Å²	47.5	61%	0.61	24%	0.241	S	C	*	.	S	Bend	trans	-110.6	166.3	-177.1	-72.7	-56.1	0	0	0	111.9	S90 L94 H110	S90-N92 WeakPolarHBondContact CB-O 3.34Å; S90-N92 PolarHBondContact O-N 3.48Å; S90-N92 PolarHBondContact OG-N 2.7Å; S90-N92 PolarHBondContact OG-O 2.88Å; N92-L94 PolarHBondContact O-N 3.26Å; N92-L94 VanDerWaalsContact O-N 3.13Å; N92-H110 PolarHBondContact O-CD2 3.43Å; N92-H110 VanDerWaalsContact O-CD2 3.25Å
93	V	83.4	Confident	88.9	Confident	79 Å²	79	50.2 Å²	50.2	48%	0.479	25%	0.253	S	S	.	.			trans	-66.5	114	177.1	-171.8	0	0	0	0	110	P95 R455	V93-P95 WeakPolarHBondContact O-CD 3.38Å; V93-R455 VanDerWaalsContact CG2-CZ 3.46Å
94	L	84.1	Confident	88.9	Confident	10 Å²	10	46 Å²	46	5%	0.052	23%	0.231	C	C	.	.			trans	-61.2	126.2	171.3	-71.2	170.9	0	0	0	110.1	I88 N92 I99 A108	I88-L94 HydrophobicContact CG2-CD1 4.31Å; I88-L94 HydrophobicContact CG2-CD2 4.43Å; N92-L94 PolarHBondContact O-N 3.26Å; N92-L94 VanDerWaalsContact O-N 3.13Å; L94-I99 HydrophobicContact CB-CD1 4.12Å; L94-I99 HydrophobicContact CB-CG1 4.01Å; L94-I99 WeakPolarHBondContact O-CD1 3.2Å; L94-A108 HydrophobicContact CD1-CB 3.64Å
95	P	86.2	Confident	89	Confident	60 Å²	60	43.9 Å²	43.9	39%	0.39	22%	0.219	S	C	.	.			trans	-57.2	144.6	176.5	-26.6	34.7	0	0	0	112.2	V93 E97 R98 I99	V93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-E97 VanDerWaalsContact CB-OE2 3.25Å; P95-E97 WeakPolarHBondContact CB-OE2 3.2Å; P95-E97 PolarHBondContact O-N 3.02Å; P95-E97 VanDerWaalsContact O-N 3.14Å; P95-R98 WeakPolarHBondContact O-CB 3.28Å; P95-R98 PolarHBondContact O-N 3.11Å; P95-I99 PolarHBondContact O-N 2.84Å; P95-I99 VanDerWaalsContact O-N 3.09Å
96	L	85.1	Confident	89	Confident	53 Å²	53	43.8 Å²	43.8	28%	0.277	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-31.1	-177.6	-175.1	62.1	0	0	0	111.3	R98 I99 M100 P112	L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 3.5Å; L96-I99 PolarHBondContact O-N 2.95Å; L96-M100 HydrophobicContact CD1-CG 4.31Å; L96-M100 HydrophobicContact CD2-SD 4.43Å; L96-M100 HydrophobicContact CG-CG 4.19Å; L96-M100 HydrophobicContact CG-SD 4Å; L96-M100 VanDerWaalsContact O-CB 3.26Å; L96-M100 WeakPolarHBondContact O-CB 3.41Å; L96-M100 WeakPolarHBondContact O-CG 3.37Å; L96-M100 PolarHBondContact O-N 3.4Å; L96-P112 HydrophobicContact CD1-CB 4.11Å; L96-P112 HydrophobicContact CD1-CG 4.45Å
97	E	86.3	Confident	88.9	Confident	125 Å²	125	43 Å²	43	58%	0.584	22%	0.215	S	C	*	.	H	α-helix	trans	-67.5	-28.6	177.1	-55.5	69.1	-150.3	0	0	112.7	P95 K101	P95-E97 VanDerWaalsContact CB-OE2 3.25Å; P95-E97 WeakPolarHBondContact CB-OE2 3.2Å; P95-E97 PolarHBondContact O-N 3.02Å; P95-E97 VanDerWaalsContact O-N 3.14Å; E97-K101 WeakPolarHBondContact O-CD 3.31Å; E97-K101 VanDerWaalsContact O-CG 3.28Å; E97-K101 WeakPolarHBondContact O-CG 3.36Å
98	R	86.5	Confident	88.9	Confident	74 Å²	74	43 Å²	43	28%	0.279	22%	0.215	S	C	.	.	H	α-helix	trans	-77.4	-44.8	169.5	-70.9	-168.5	178.8	172.7	-5.8	110.2	D59 I82 P95 L96 M100 K101	D59-R98 IonicContact OD2-CZ 3.5Å; D59-R98 IonicContact OD2-NH1 2.71Å; D59-R98 PolarHBondContact OD2-NH1 3.39Å; I82-R98 HydrophobicContact CD1-CB 4.38Å; P95-R98 WeakPolarHBondContact O-CB 3.28Å; P95-R98 PolarHBondContact O-N 3.11Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 3.5Å; R98-M100 VanDerWaalsContact C-N 3.31Å; R98-M100 PolarHBondContact O-N 3.5Å; R98-K101 WeakPolarHBondContact O-CB 3.44Å; R98-K101 PolarHBondContact O-N 2.84Å
99	I	87.7	Confident	88.9	Confident	10 Å²	10	43 Å²	43	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-40.4	178.8	-60.5	174.9	0	0	0	111.2	L94 P95 L96 K101 L102 P112 L432	L94-I99 HydrophobicContact CB-CD1 4.12Å; L94-I99 HydrophobicContact CB-CG1 4.01Å; L94-I99 WeakPolarHBondContact O-CD1 3.2Å; P95-I99 PolarHBondContact O-N 2.84Å; P95-I99 VanDerWaalsContact O-N 3.09Å; L96-I99 PolarHBondContact O-N 2.95Å; I99-K101 PolarHBondContact O-N 2.91Å; I99-K101 VanDerWaalsContact O-N 3.15Å; I99-L102 HydrophobicContact CG2-CD1 4.35Å; I99-L102 WeakPolarHBondContact O-CG 3.25Å; I99-L102 PolarHBondContact O-N 3.17Å; I99-P112 HydrophobicContact CD1-CB 4.23Å; I99-P112 HydrophobicContact CD1-CG 4.34Å; I99-L432 HydrophobicContact CG2-CD1 4.08Å; I99-L432 HydrophobicContact CG2-CD2 4.34Å
100	M	86.3	Confident	88.8	Confident	57 Å²	57	43 Å²	43	28%	0.281	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	2	173	-71.2	179.6	84.9	0	0	114.3	L96 R98 I334 K338	L96-M100 HydrophobicContact CD1-CG 4.31Å; L96-M100 HydrophobicContact CD2-SD 4.43Å; L96-M100 HydrophobicContact CG-CG 4.19Å; L96-M100 HydrophobicContact CG-SD 4Å; L96-M100 VanDerWaalsContact O-CB 3.26Å; L96-M100 WeakPolarHBondContact O-CB 3.41Å; L96-M100 WeakPolarHBondContact O-CG 3.37Å; L96-M100 PolarHBondContact O-N 3.4Å; R98-M100 VanDerWaalsContact C-N 3.31Å; R98-M100 PolarHBondContact O-N 3.5Å; M100-I334 HydrophobicContact CE-CG2 4.43Å; M100-K338 VanDerWaalsContact O-CD 3.31Å; M100-K338 WeakPolarHBondContact O-CD 3.35Å; M100-K338 VanDerWaalsContact O-CE 3.23Å; M100-K338 WeakPolarHBondContact O-CE 3.33Å; M100-K338 PolarHBondContact O-NZ 3.45Å
101	K	86.9	Confident	88.8	Confident	139 Å²	139	43 Å²	43	60%	0.604	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-1.5	173	-71.7	173.4	-177.8	-176.1	0	112.8	E97 R98 I99 E103	E97-K101 WeakPolarHBondContact O-CD 3.31Å; E97-K101 VanDerWaalsContact O-CG 3.28Å; E97-K101 WeakPolarHBondContact O-CG 3.36Å; R98-K101 WeakPolarHBondContact O-CB 3.44Å; R98-K101 PolarHBondContact O-N 2.84Å; I99-K101 PolarHBondContact O-N 2.91Å; I99-K101 VanDerWaalsContact O-N 3.15Å; K101-E103 PolarHBondContact O-N 2.91Å
102	L	88.4	Confident	88.8	Confident	27 Å²	27	42.9 Å²	42.9	14%	0.141	22%	0.215	C	C	.	.			trans	-70.4	127.6	-177.5	-64.2	176.3	0	0	0	112.1	I88 I99 Q106 A108 L432	I88-L102 HydrophobicContact CD1-CD2 3.43Å; I88-L102 VanDerWaalsContact CD1-CD2 3.43Å; I99-L102 HydrophobicContact CG2-CD1 4.35Å; I99-L102 WeakPolarHBondContact O-CG 3.25Å; I99-L102 PolarHBondContact O-N 3.17Å; L102-Q106 VanDerWaalsContact CA-OE1 3.29Å; L102-Q106 HydrophobicContact CD2-CB 4.42Å; L102-A108 HydrophobicContact CD1-CB 4.09Å; L102-L432 HydrophobicContact CD1-CD2 3.9Å
103	E	87.9	Confident	89	Confident	80 Å²	80	37.8 Å²	37.8	37%	0.374	19%	0.189	S	C	.	.			trans	-73.6	152.3	172	-79.4	-59.8	134.2	0	0	111.8	K101 Y105 Q106 N431 Q495	K101-E103 PolarHBondContact O-N 2.91Å; E103-Y105 HydrophobicContact CB-CD1 3.82Å; E103-Y105 HydrophobicContact CB-CE1 3.44Å; E103-Y105 VanDerWaalsContact CB-CE1 3.44Å; E103-Y105 HydrophobicContact CG-CE1 4.05Å; E103-Y105 PolarHBondContact O-N 3.07Å; E103-Q106 HydrophobicContact CB-CG 4.14Å; E103-Q106 WeakPolarHBondContact O-CB 3.47Å; E103-Q106 PolarHBondContact O-N 3.22Å; E103-N431 PolarHBondContact O-ND2 3.38Å; E103-Q495 PolarHBondContact OE2-NE2 2.67Å
104	P	85.7	Confident	89.6	Confident	20 Å²	20	34 Å²	34	13%	0.13	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.9	-173.5	-26.4	35.1	0	0	0	116.5	R107 M428 V491	P104-R107 PolarHBondContact O-NH1 3.36Å; P104-M428 HydrophobicContact CB-CB 4.4Å; P104-M428 HydrophobicContact CB-CG 4.23Å; P104-M428 HydrophobicContact CB-SD 3.56Å; P104-M428 VanDerWaalsContact CB-SD 3.56Å; P104-M428 HydrophobicContact CG-SD 4.49Å; P104-V491 HydrophobicContact CB-CG1 3.91Å; P104-V491 HydrophobicContact CB-CG2 3.92Å; P104-V491 HydrophobicContact CG-CG1 3.95Å
105	Y	88.4	Confident	90	Very high	14 Å²	14	36.4 Å²	36.4	6%	0.055	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.1	174.1	60.5	-93.7	0	0	0	113.2	N83 Y86 E103 R107 K488	N83-Y105 PolarHBondContact O-OH 2.71Å; Y86-Y105 AromaticContact CD1-CD2 4Å; Y86-Y105 HydrophobicContact CD1-CD2 4Å; Y86-Y105 HydrophobicContact CD2-CD2 4.42Å; Y86-Y105 HydrophobicContact CD2-CE2 4.39Å; Y86-Y105 HydrophobicContact CE1-CD2 4.14Å; Y86-Y105 HydrophobicContact CE2-CE2 4.47Å; Y86-Y105 HydrophobicContact CG-CD2 4.16Å; E103-Y105 HydrophobicContact CB-CD1 3.82Å; E103-Y105 HydrophobicContact CB-CE1 3.44Å; E103-Y105 VanDerWaalsContact CB-CE1 3.44Å; E103-Y105 HydrophobicContact CG-CE1 4.05Å; E103-Y105 PolarHBondContact O-N 3.07Å; Y105-R107 VanDerWaalsContact C-NH1 3.31Å; Y105-R107 PolarHBondContact O-NH1 3.18Å; Y105-R107 VanDerWaalsContact O-NH1 3.14Å; Y105-R107 PolarHBondContact O-NH2 2.95Å; Y105-K488 HydrophobicContact CD1-CB 3.95Å; Y105-K488 HydrophobicContact CD1-CG 3.86Å; Y105-K488 HydrophobicContact CD2-CB 4.28Å; Y105-K488 HydrophobicContact CE1-CB 4.2Å; Y105-K488 HydrophobicContact CE1-CD 3.98Å; Y105-K488 HydrophobicContact CE1-CG 3.63Å; Y105-K488 HydrophobicContact CE2-CD 4.21Å; Y105-K488 HydrophobicContact CE2-CG 4.44Å; Y105-K488 HydrophobicContact CG-CB 4Å; Y105-K488 HydrophobicContact CG-CG 4.35Å
106	Q	92.3	Very high	90.4	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.014	17%	0.166	C	C	.	.			trans	-77.8	148	-171.6	-53.3	-170.3	-70.2	0	0	112.5	I82 N83 A85 Y86 L102 E103 N431	I82-Q106 PolarHBondContact O-NE2 2.76Å; N83-Q106 PolarHBondContact O-NE2 3.19Å; A85-Q106 WeakPolarHBondContact O-CG 3.38Å; A85-Q106 PolarHBondContact O-NE2 3.03Å; Y86-Q106 CarbonylContact O-C 3.46Å; Y86-Q106 WeakPolarHBondContact O-CA 3.26Å; L102-Q106 VanDerWaalsContact CA-OE1 3.29Å; L102-Q106 HydrophobicContact CD2-CB 4.42Å; E103-Q106 HydrophobicContact CB-CG 4.14Å; E103-Q106 WeakPolarHBondContact O-CB 3.47Å; E103-Q106 PolarHBondContact O-N 3.22Å; Q106-N431 WeakPolarHBondContact O-CA 3.39Å; Q106-N431 PolarHBondContact O-ND2 2.9Å
107	R	93	Very high	91	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.7	171.8	-52	-59.4	166.1	-108.9	-12.8	110.5	Y86 L87 I88 P104 Y105 S430 N431 F433 I483 D487	Y86-R107 PolarHBondContact O-N 2.83Å; L87-R107 CarbonylContact C-O 3.59Å; L87-R107 WeakPolarHBondContact CA-O 3.34Å; L87-R107 HydrophobicContact CD1-CB 4.18Å; I88-R107 PolarHBondContact N-O 2.91Å; P104-R107 PolarHBondContact O-NH1 3.36Å; Y105-R107 VanDerWaalsContact C-NH1 3.31Å; Y105-R107 PolarHBondContact O-NH1 3.18Å; Y105-R107 VanDerWaalsContact O-NH1 3.14Å; Y105-R107 PolarHBondContact O-NH2 2.95Å; R107-S430 WeakPolarHBondContact CD-O 3.42Å; R107-N431 CarbonylContact C-O 3.57Å; R107-N431 VanDerWaalsContact CA-O 3.23Å; R107-N431 WeakPolarHBondContact CA-O 3.29Å; R107-F433 HydrophobicContact CB-CD1 4.41Å; R107-F433 HydrophobicContact CB-CE1 4.28Å; R107-I483 HydrophobicContact CB-CD1 3.95Å; R107-I483 HydrophobicContact CG-CD1 3.59Å; R107-I483 HydrophobicContact CG-CG1 3.7Å; R107-D487 IonicContact NH2-OD2 3.66Å
108	A	94.6	Very high	91.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.8	171.6	0	0	0	0	0	111.9	I88 L94 L102 H110 N431 L432 F433	I88-A108 HydrophobicContact CB-CB 4.25Å; I88-A108 WeakPolarHBondContact O-CA 3.3Å; L94-A108 HydrophobicContact CD1-CB 3.64Å; L102-A108 HydrophobicContact CD1-CB 4.09Å; A108-H110 PolarHBondContact O-N 2.78Å; A108-N431 PolarHBondContact N-O 3.03Å; A108-L432 HydrophobicContact CB-CD2 3.87Å; A108-L432 VanDerWaalsContact O-CA 3.31Å; A108-L432 WeakPolarHBondContact O-CA 2.71Å; A108-F433 WeakPolarHBondContact O-CD1 3.32Å; A108-F433 WeakPolarHBondContact O-CE1 3.36Å; A108-F433 PolarHBondContact O-N 3.25Å
109	N	95.2	Very high	91.7	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.048	13%	0.13	C	C	.	.	S	Bend	trans	-94.4	16.6	-163	73.7	-65	0	0	0	116.3	I88 W89 S90 F433	I88-N109 PolarHBondContact O-OD1 2.81Å; W89-N109 WeakPolarHBondContact CA-OD1 3.34Å; W89-N109 HydrophobicContact CD2-CB 4.25Å; W89-N109 HydrophobicContact CE3-CB 4.18Å; S90-N109 PolarHBondContact N-OD1 3.37Å; S90-N109 PolarHBondContact O-ND2 3.24Å; S90-N109 PolarHBondContact O-OD1 2.79Å; N109-F433 CarbonylContact C-O 3.55Å; N109-F433 WeakPolarHBondContact CA-O 3.4Å; N109-F433 HydrophobicContact CB-CD2 4.49Å; N109-F433 HydrophobicContact CB-CE1 4Å; N109-F433 HydrophobicContact CB-CE2 3.73Å; N109-F433 HydrophobicContact CB-CZ 3.44Å; N109-F433 VanDerWaalsContact CB-CZ 3.44Å; N109-F433 VanDerWaalsContact O-O 3.07Å
110	H	94.6	Very high	92	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.028	13%	0.131	C	C	.	.			trans	-143.2	140.5	177	-73.3	-62.7	0	0	0	112.6	S90 N92 A108 F433 E434 S456	S90-H110 PolarHBondContact O-NE2 2.84Å; S90-H110 VanDerWaalsContact O-NE2 3.16Å; N92-H110 PolarHBondContact O-CD2 3.43Å; N92-H110 VanDerWaalsContact O-CD2 3.25Å; A108-H110 PolarHBondContact O-N 2.78Å; H110-F433 PolarHBondContact N-O 2.89Å; H110-F433 VanDerWaalsContact N-O 3.09Å; H110-E434 IonicContact CE1-OE1 3.35Å; H110-E434 IonicContact CG-OE1 3.14Å; H110-E434 IonicContact ND1-OE1 2.99Å; H110-E434 PolarHBondContact ND1-OE1 3.42Å; H110-S456 PolarHBondContact CE1-OG 3.25Å
111	F	93.5	Very high	92.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	12%	0.122	C	C	.	.			trans	-91	137.6	167.9	-69.4	-90.1	0	0	0	111.9	M114 V227 C230 L328 Y332 L432 E434	F111-M114 HydrophobicContact CB-CE 4.34Å; F111-M114 HydrophobicContact CD2-CE 4.04Å; F111-M114 PolarHBondContact O-N 3.46Å; F111-V227 HydrophobicContact CD2-CG1 4.35Å; F111-V227 HydrophobicContact CE2-CB 3.94Å; F111-V227 HydrophobicContact CE2-CG1 3.6Å; F111-V227 HydrophobicContact CZ-CG1 4.02Å; F111-C230 HydrophobicContact CD1-CB 4.41Å; F111-C230 HydrophobicContact CE1-CB 4.1Å; F111-C230 VanDerWaalsContact CE1-SG 3.57Å; F111-L328 HydrophobicContact CB-CD2 3.71Å; F111-L328 HydrophobicContact CG-CD2 4.44Å; F111-Y332 HydrophobicContact CD1-CD2 4.11Å; F111-Y332 HydrophobicContact CD1-CE2 4.4Å; F111-Y332 HydrophobicContact CE1-CD2 4.16Å; F111-Y332 HydrophobicContact CE1-CE2 4.02Å; F111-L432 HydrophobicContact CD1-CB 3.7Å; F111-L432 HydrophobicContact CD1-CD1 4.02Å; F111-L432 HydrophobicContact CD1-CG 4.5Å; F111-L432 HydrophobicContact CE1-CB 3.65Å; F111-L432 HydrophobicContact CE2-CB 4.49Å; F111-L432 HydrophobicContact CG-CB 4.15Å; F111-L432 HydrophobicContact CZ-CB 4.07Å; F111-L432 WeakPolarHBondContact CZ-O 3.35Å; F111-E434 WeakPolarHBondContact CB-OE2 3.44Å; F111-E434 HydrophobicContact CD2-CB 3.74Å; F111-E434 HydrophobicContact CE2-CB 4.12Å; F111-E434 PolarHBondContact N-OE2 3.02Å
112	P	92.3	Very high	92.8	Very high	14 Å²	14	20.1 Å²	20.1	9%	0.091	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	137.3	165.7	32.8	-34.7	0	0	0	108.9	L96 I99 F331 L432	L96-P112 HydrophobicContact CD1-CB 4.11Å; L96-P112 HydrophobicContact CD1-CG 4.45Å; I99-P112 HydrophobicContact CD1-CB 4.23Å; I99-P112 HydrophobicContact CD1-CG 4.34Å; P112-F331 HydrophobicContact CB-CB 3.73Å; P112-F331 HydrophobicContact CB-CG 4.36Å; P112-F331 HydrophobicContact CG-CB 3.69Å; P112-L432 HydrophobicContact CG-CD1 4.32Å
113	G	91.6	Very high	93.2	Very high	7 Å²	7	19.1 Å²	19.1	7%	0.072	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	-16	-173.9	0	0	0	0	0	115.6	I115 E116	G113-I115 PolarHBondContact O-N 3.04Å; G113-E116 WeakPolarHBondContact O-CB 3.46Å; G113-E116 VanDerWaalsContact O-CG 3.24Å; G113-E116 WeakPolarHBondContact O-CG 3.31Å; G113-E116 PolarHBondContact O-N 3.46Å
114	M	94.7	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.6	178	-160.9	63.6	78.9	0	0	113.5	F111 E116 I117 C118 V227 L321 L328 E434 L436 R455	F111-M114 HydrophobicContact CB-CE 4.34Å; F111-M114 HydrophobicContact CD2-CE 4.04Å; F111-M114 PolarHBondContact O-N 3.46Å; M114-E116 PolarHBondContact O-N 2.86Å; M114-E116 VanDerWaalsContact O-N 3.15Å; M114-I117 PolarHBondContact O-N 2.99Å; M114-I117 HydrophobicContact SD-CD1 3.84Å; M114-I117 HydrophobicContact SD-CG1 4.07Å; M114-C118 PolarHBondContact O-N 3.05Å; M114-C118 PolarHBondContact O-SG 3.18Å; M114-C118 VanDerWaalsContact O-SG 3.37Å; M114-V227 HydrophobicContact CE-CG2 4.37Å; M114-L321 HydrophobicContact CE-CD2 4.29Å; M114-L321 HydrophobicContact SD-CD2 4.12Å; M114-L328 HydrophobicContact CB-CD2 4.12Å; M114-L328 HydrophobicContact CE-CD1 3.95Å; M114-L328 HydrophobicContact CE-CD2 3.87Å; M114-L328 HydrophobicContact SD-CD1 4.3Å; M114-L328 HydrophobicContact SD-CD2 4.15Å; M114-E434 WeakPolarHBondContact CB-OE2 3.27Å; M114-E434 WeakPolarHBondContact CE-OE2 3.27Å; M114-E434 WeakPolarHBondContact CG-OE2 3.43Å; M114-L436 HydrophobicContact CE-CD1 4.23Å; M114-L436 HydrophobicContact CG-CD2 3.9Å; M114-L436 HydrophobicContact SD-CD1 3.96Å; M114-L436 HydrophobicContact SD-CD2 4.34Å; M114-R455 HydrophobicContact CG-CG 4.28Å
115	I	93.5	Very high	94	Very high	59 Å²	59	19.5 Å²	19.5	30%	0.303	10%	0.095	S	C	.	.	H	α-helix	trans	-53.5	-29	170.5	-160.8	166.5	0	0	0	113.6	G113 I117 C118 R119 L122	G113-I115 PolarHBondContact O-N 3.04Å; I115-I117 PolarHBondContact O-N 3.46Å; I115-C118 PolarHBondContact O-N 3.46Å; I115-R119 HydrophobicContact CD1-CG 4.37Å; I115-R119 HydrophobicContact CG1-CB 4.38Å; I115-R119 HydrophobicContact CG1-CG 3.78Å; I115-R119 WeakPolarHBondContact O-CB 3.27Å; I115-R119 PolarHBondContact O-N 2.84Å; I115-L122 HydrophobicContact CG1-CD1 4.11Å; I115-L122 HydrophobicContact CG2-CD1 4.15Å
116	E	95	Very high	94.3	Very high	28 Å²	28	19.1 Å²	19.1	13%	0.131	9%	0.094	C	C	.	.	H	α-helix	trans	-69.2	-15.6	-173.2	-63.1	-76.8	-177.2	0	0	114.4	G113 M114 L122 L123 N126 H327	G113-E116 WeakPolarHBondContact O-CB 3.46Å; G113-E116 VanDerWaalsContact O-CG 3.24Å; G113-E116 WeakPolarHBondContact O-CG 3.31Å; G113-E116 PolarHBondContact O-N 3.46Å; M114-E116 PolarHBondContact O-N 2.86Å; M114-E116 VanDerWaalsContact O-N 3.15Å; E116-L122 CarbonylContact O-C 3.53Å; E116-L122 VanDerWaalsContact O-C 3.3Å; E116-L123 PolarHBondContact O-N 3.39Å; E116-N126 PolarHBondContact O-ND2 3.13Å; E116-N126 PolarHBondContact OE2-ND2 3.42Å; E116-H327 HydrophobicContact CG-CB 3.92Å; E116-H327 WeakPolarHBondContact CG-ND1 3.2Å; E116-H327 IonicContact OE1-CE1 3.6Å; E116-H327 PolarHBondContact OE1-CE1 3.32Å; E116-H327 IonicContact OE1-CG 3.82Å; E116-H327 IonicContact OE1-ND1 2.65Å; E116-H327 PolarHBondContact OE1-ND1 3.41Å; E116-H327 IonicContact OE2-CE1 2.69Å; E116-H327 IonicContact OE2-ND1 3.76Å
117	I	96.3	Very high	94.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-118.8	-18.4	170.1	58.1	168	0	0	0	113.4	M114 I115 L123 T320 L321 I323 A324 L436 V453	M114-I117 PolarHBondContact O-N 2.99Å; M114-I117 HydrophobicContact SD-CD1 3.84Å; M114-I117 HydrophobicContact SD-CG1 4.07Å; I115-I117 PolarHBondContact O-N 3.46Å; I117-L123 HydrophobicContact CB-CD1 4.05Å; I117-L123 HydrophobicContact CG2-CD1 4.02Å; I117-T320 HydrophobicContact CB-CG2 4.39Å; I117-T320 HydrophobicContact CD1-CG2 4.22Å; I117-T320 HydrophobicContact CG2-CG2 4.26Å; I117-L321 HydrophobicContact CD1-CD2 3.83Å; I117-L321 HydrophobicContact CD1-CG 4.41Å; I117-I323 HydrophobicContact CG2-CB 4.21Å; I117-I323 HydrophobicContact CG2-CG2 4.29Å; I117-A324 HydrophobicContact CD1-CB 4.15Å; I117-A324 HydrophobicContact CG1-CB 4.15Å; I117-A324 HydrophobicContact CG2-CB 3.94Å; I117-L436 HydrophobicContact CD1-CD1 4.5Å; I117-V453 HydrophobicContact CD1-CG1 4.38Å
118	C	94.9	Very high	94.6	Very high	23 Å²	23	19.8 Å²	19.8	16%	0.155	10%	0.1	C	C	.	.	H	α-helix	trans	-88	-20.4	179.6	-62.7	0	0	0	0	114.3	M114 I115 V453 R455	M114-C118 PolarHBondContact O-N 3.05Å; M114-C118 PolarHBondContact O-SG 3.18Å; M114-C118 VanDerWaalsContact O-SG 3.37Å; I115-C118 PolarHBondContact O-N 3.46Å; C118-V453 VanDerWaalsContact CA-O 3.26Å; C118-V453 WeakPolarHBondContact CA-O 3.36Å; C118-V453 WeakPolarHBondContact CB-O 3.4Å; C118-V453 PolarHBondContact SG-O 2.99Å; C118-R455 HydrophobicContact CB-CB 3.94Å
119	R	93.8	Very high	94.6	Very high	57 Å²	57	24.6 Å²	24.6	22%	0.215	12%	0.118	C	C	.	.	S	Bend	trans	-87.2	136	167.6	-89.2	-172.3	61.8	142.2	-0.7	110	I115 D121 L122 L123 N176	I115-R119 HydrophobicContact CD1-CG 4.37Å; I115-R119 HydrophobicContact CG1-CB 4.38Å; I115-R119 HydrophobicContact CG1-CG 3.78Å; I115-R119 WeakPolarHBondContact O-CB 3.27Å; I115-R119 PolarHBondContact O-N 2.84Å; R119-D121 WeakPolarHBondContact CB-OD1 3.3Å; R119-D121 IonicContact CZ-OD1 2.65Å; R119-D121 IonicContact CZ-OD2 2.62Å; R119-D121 IonicContact NE-OD1 3.96Å; R119-D121 PolarHBondContact NE-OD1 3.45Å; R119-D121 IonicContact NE-OD2 2.63Å; R119-D121 VanDerWaalsContact NH2-CG 3.35Å; R119-D121 IonicContact NH2-OD1 2.7Å; R119-D121 PolarHBondContact NH2-OD1 3.11Å; R119-D121 IonicContact NH2-OD2 3.38Å; R119-D121 PolarHBondContact NH2-OD2 3.37Å; R119-D121 PolarHBondContact O-N 2.91Å; R119-L122 HydrophobicContact CB-CB 4.06Å; R119-L122 HydrophobicContact CB-CD1 4.14Å; R119-L122 HydrophobicContact CB-CG 3.97Å; R119-L122 PolarHBondContact O-N 3.13Å; R119-L123 VanDerWaalsContact O-CB 3.25Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 PolarHBondContact O-N 3.12Å; R119-N176 VanDerWaalsContact CD-OD1 3.22Å; R119-N176 WeakPolarHBondContact CD-OD1 3.41Å; R119-N176 WeakPolarHBondContact CG-OD1 3.49Å; R119-N176 VanDerWaalsContact CZ-OD1 3.24Å; R119-N176 PolarHBondContact NE-OD1 2.86Å; R119-N176 PolarHBondContact NH1-ND2 2.82Å; R119-N176 PolarHBondContact NH1-OD1 3.12Å
120	K	94	Very high	94.6	Very high	19 Å²	19	24.3 Å²	24.3	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-68.1	-37	-172.5	-67.3	170.1	171.7	63.1	0	112.7	T124 K173 A175 G177 V203 E452	K120-T124 WeakPolarHBondContact O-CB 3.32Å; K120-T124 PolarHBondContact O-N 2.79Å; K120-T124 PolarHBondContact O-OG1 3.03Å; K120-K173 HydrophobicContact CD-CB 3.92Å; K120-K173 HydrophobicContact CD-CD 4.26Å; K120-A175 PolarHBondContact N-O 3.19Å; K120-A175 VanDerWaalsContact N-O 3.15Å; K120-G177 PolarHBondContact NZ-O 3.34Å; K120-V203 HydrophobicContact CB-CG1 4.38Å; K120-V203 HydrophobicContact CB-CG2 3.94Å; K120-E452 WeakPolarHBondContact CE-OE2 3.47Å; K120-E452 IonicContact NZ-OE2 3.51Å; K120-E452 PolarHBondContact NZ-OE2 2.77Å
121	D	94	Very high	94.7	Very high	15 Å²	15	26.7 Å²	26.7	8%	0.08	13%	0.127	C	C	.	.	H	α-helix	trans	-71.3	-41.3	175.4	62.8	-33.1	0	0	0	112.5	R119 T124 K125 I146 A175 I201 V203	R119-D121 WeakPolarHBondContact CB-OD1 3.3Å; R119-D121 IonicContact CZ-OD1 2.65Å; R119-D121 IonicContact CZ-OD2 2.62Å; R119-D121 IonicContact NE-OD1 3.96Å; R119-D121 PolarHBondContact NE-OD1 3.45Å; R119-D121 IonicContact NE-OD2 2.63Å; R119-D121 VanDerWaalsContact NH2-CG 3.35Å; R119-D121 IonicContact NH2-OD1 2.7Å; R119-D121 PolarHBondContact NH2-OD1 3.11Å; R119-D121 IonicContact NH2-OD2 3.38Å; R119-D121 PolarHBondContact NH2-OD2 3.37Å; R119-D121 PolarHBondContact O-N 2.91Å; D121-T124 PolarHBondContact O-N 3.47Å; D121-K125 VanDerWaalsContact O-CB 3.3Å; D121-K125 WeakPolarHBondContact O-CB 3.26Å; D121-K125 PolarHBondContact O-N 3.37Å; D121-I146 HydrophobicContact CB-CD1 4.39Å; D121-I146 HydrophobicContact CB-CG1 4.49Å; D121-I146 HydrophobicContact CB-CG2 4Å; D121-I146 VanDerWaalsContact O-CD1 3.23Å; D121-I146 WeakPolarHBondContact O-CD1 3.44Å; D121-A175 HydrophobicContact CB-CB 3.93Å; D121-I201 HydrophobicContact CB-CG2 4.2Å; D121-V203 HydrophobicContact CB-CG1 4.2Å
122	L	95.2	Very high	94.7	Very high	34 Å²	34	34.7 Å²	34.7	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-69	-43	176.1	-59.3	-174	0	0	0	112.1	I115 E116 R119 T124 K125 N126	I115-L122 HydrophobicContact CG1-CD1 4.11Å; I115-L122 HydrophobicContact CG2-CD1 4.15Å; E116-L122 CarbonylContact O-C 3.53Å; E116-L122 VanDerWaalsContact O-C 3.3Å; R119-L122 HydrophobicContact CB-CB 4.06Å; R119-L122 HydrophobicContact CB-CD1 4.14Å; R119-L122 HydrophobicContact CB-CG 3.97Å; R119-L122 PolarHBondContact O-N 3.13Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 2.62Å; L122-K125 PolarHBondContact O-N 3.04Å; L122-N126 WeakPolarHBondContact O-CB 3.29Å; L122-N126 VanDerWaalsContact O-CG 3.29Å; L122-N126 PolarHBondContact O-N 2.91Å; L122-N126 PolarHBondContact O-ND2 3.49Å; L122-N126 VanDerWaalsContact O-ND2 3.08Å
123	L	96.6	Very high	94.8	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-51	173	177.6	61.1	0	0	0	110.3	E116 I117 R119 K125 N126 F127 M141 T320 L450	E116-L123 PolarHBondContact O-N 3.39Å; I117-L123 HydrophobicContact CB-CD1 4.05Å; I117-L123 HydrophobicContact CG2-CD1 4.02Å; R119-L123 VanDerWaalsContact O-CB 3.25Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 PolarHBondContact O-N 3.12Å; L123-K125 PolarHBondContact O-N 3.35Å; L123-N126 PolarHBondContact O-N 2.91Å; L123-F127 WeakPolarHBondContact O-CB 3.45Å; L123-F127 PolarHBondContact O-N 3.19Å; L123-M141 HydrophobicContact CD2-SD 4.41Å; L123-M141 HydrophobicContact CG-SD 4.26Å; L123-T320 HydrophobicContact CD1-CG2 4.39Å; L123-L450 HydrophobicContact CD1-CD2 4.2Å; L123-L450 HydrophobicContact CD2-CD2 4.17Å
124	T	95.8	Very high	95	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-52.1	176.1	-58.5	0	0	0	0	111.3	K120 D121 L122 N126 F127 S128 T144 I146	K120-T124 WeakPolarHBondContact O-CB 3.32Å; K120-T124 PolarHBondContact O-N 2.79Å; K120-T124 PolarHBondContact O-OG1 3.03Å; D121-T124 PolarHBondContact O-N 3.47Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 2.62Å; T124-N126 VanDerWaalsContact C-N 3.32Å; T124-N126 PolarHBondContact O-N 3.06Å; T124-F127 PolarHBondContact O-N 3.21Å; T124-S128 VanDerWaalsContact O-CB 3.25Å; T124-S128 WeakPolarHBondContact O-CB 3.49Å; T124-S128 PolarHBondContact O-N 3.45Å; T124-S128 PolarHBondContact O-OG 2.98Å; T124-S128 VanDerWaalsContact O-OG 3.05Å; T124-T144 HydrophobicContact CG2-CG2 3.76Å; T124-T144 WeakPolarHBondContact CG2-O 3.31Å; T124-T144 WeakPolarHBondContact OG1-CG2 3.15Å; T124-I146 HydrophobicContact CG2-CD1 4.17Å; T124-I146 HydrophobicContact CG2-CG1 3.75Å
125	K	94.8	Very high	95	Very high	104 Å²	104	41.1 Å²	41.1	45%	0.452	20%	0.201	S	C	.	.	H	α-helix	trans	-58.8	-41.4	-178.2	-174.8	179.3	-178.2	177.3	0	112.8	D121 L122 L123 R129 I146	D121-K125 VanDerWaalsContact O-CB 3.3Å; D121-K125 WeakPolarHBondContact O-CB 3.26Å; D121-K125 PolarHBondContact O-N 3.37Å; L122-K125 PolarHBondContact O-N 3.04Å; L123-K125 PolarHBondContact O-N 3.35Å; K125-R129 WeakPolarHBondContact O-CD 3.42Å; K125-R129 VanDerWaalsContact O-CG 3.29Å; K125-R129 WeakPolarHBondContact O-CG 3.42Å; K125-R129 PolarHBondContact O-N 2.79Å; K125-I146 HydrophobicContact CB-CD1 3.89Å
126	N	95.2	Very high	95	Very high	6 Å²	6	45 Å²	45	3%	0.032	22%	0.222	C	C	.	.	H	α-helix	trans	-85.5	-32.7	-175.2	-61.9	-37.2	0	0	0	112.3	E116 L122 L123 T124 R129 M130 I323	E116-N126 PolarHBondContact O-ND2 3.13Å; E116-N126 PolarHBondContact OE2-ND2 3.42Å; L122-N126 WeakPolarHBondContact O-CB 3.29Å; L122-N126 VanDerWaalsContact O-CG 3.29Å; L122-N126 PolarHBondContact O-N 2.91Å; L122-N126 PolarHBondContact O-ND2 3.49Å; L122-N126 VanDerWaalsContact O-ND2 3.08Å; L123-N126 PolarHBondContact O-N 2.91Å; T124-N126 VanDerWaalsContact C-N 3.32Å; T124-N126 PolarHBondContact O-N 3.06Å; N126-R129 WeakPolarHBondContact O-CB 3.49Å; N126-R129 PolarHBondContact O-N 3.03Å; N126-R129 PolarHBondContact OD1-NH1 3.42Å; N126-M130 PolarHBondContact O-N 3.49Å; N126-I323 HydrophobicContact CB-CG2 3.31Å
127	F	96.6	Very high	95	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-50.6	168.4	-170.7	-79.7	0	0	0	110.9	L123 T124 R129 M130 Q131 Y138 F140 M141 I323	L123-F127 WeakPolarHBondContact O-CB 3.45Å; L123-F127 PolarHBondContact O-N 3.19Å; T124-F127 PolarHBondContact O-N 3.21Å; F127-R129 PolarHBondContact O-N 3.45Å; F127-M130 PolarHBondContact O-N 2.85Å; F127-Q131 HydrophobicContact CD1-CB 4.26Å; F127-Q131 HydrophobicContact CE1-CB 4.16Å; F127-Q131 HydrophobicContact CE1-CG 4.49Å; F127-Q131 WeakPolarHBondContact O-CB 3.2Å; F127-Q131 PolarHBondContact O-N 3.47Å; F127-Y138 HydrophobicContact CD2-CD1 4.19Å; F127-Y138 VanDerWaalsContact CE1-O 3.29Å; F127-Y138 WeakPolarHBondContact CE1-O 3.15Å; F127-Y138 AromaticContact CE2-CD1 3.91Å; F127-Y138 HydrophobicContact CE2-CD1 3.91Å; F127-Y138 HydrophobicContact CZ-CD1 4.34Å; F127-Y138 VanDerWaalsContact CZ-O 3.28Å; F127-Y138 WeakPolarHBondContact CZ-O 3.1Å; F127-F140 HydrophobicContact CD2-CE2 4.47Å; F127-F140 HydrophobicContact CE2-CD2 4.03Å; F127-F140 HydrophobicContact CE2-CE1 4.13Å; F127-F140 AromaticContact CE2-CE2 3.63Å; F127-F140 HydrophobicContact CE2-CE2 3.63Å; F127-F140 AromaticContact CE2-CZ 3.68Å; F127-F140 HydrophobicContact CE2-CZ 3.68Å; F127-M141 HydrophobicContact CB-CE 3.96Å; F127-M141 HydrophobicContact CB-SD 4.29Å; F127-M141 HydrophobicContact CD1-CB 4.32Å; F127-M141 HydrophobicContact CD1-CE 3.61Å; F127-M141 HydrophobicContact CD1-SD 4.39Å; F127-M141 HydrophobicContact CD2-CB 4.08Å; F127-M141 HydrophobicContact CD2-CE 4.37Å; F127-M141 HydrophobicContact CD2-SD 4.1Å; F127-M141 HydrophobicContact CE1-CB 3.86Å; F127-M141 HydrophobicContact CE1-CE 4.19Å; F127-M141 HydrophobicContact CE2-CB 3.58Å; F127-M141 HydrophobicContact CG-CB 4.43Å; F127-M141 HydrophobicContact CG-CE 3.72Å; F127-M141 HydrophobicContact CG-SD 4.01Å; F127-M141 HydrophobicContact CZ-CB 3.46Å; F127-M141 VanDerWaalsContact CZ-CB 3.46Å; F127-I323 HydrophobicContact CB-CD1 4.2Å; F127-I323 HydrophobicContact CD2-CD1 3.87Å; F127-I323 HydrophobicContact CG-CD1 4.44Å
128	S	95	Very high	95	Very high	22 Å²	22	46.5 Å²	46.5	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-9	177.6	-62.5	0	0	0	0	114.3	T124 K132	T124-S128 VanDerWaalsContact O-CB 3.25Å; T124-S128 WeakPolarHBondContact O-CB 3.49Å; T124-S128 PolarHBondContact O-N 3.45Å; T124-S128 PolarHBondContact O-OG 2.98Å; T124-S128 VanDerWaalsContact O-OG 3.05Å; S128-K132 WeakPolarHBondContact O-CD 3.45Å; S128-K132 WeakPolarHBondContact O-CE 3.37Å; S128-K132 VanDerWaalsContact O-CG 3.26Å; S128-K132 WeakPolarHBondContact O-CG 3.42Å
129	R	94.1	Very high	95.1	Very high	100 Å²	100	49.9 Å²	49.9	38%	0.377	25%	0.246	S	C	.	.	H	α-helix	trans	-83.1	-46.2	165.9	-76.8	159	157.2	-176.6	-16.6	111.4	K125 N126 F127 K132	K125-R129 WeakPolarHBondContact O-CD 3.42Å; K125-R129 VanDerWaalsContact O-CG 3.29Å; K125-R129 WeakPolarHBondContact O-CG 3.42Å; K125-R129 PolarHBondContact O-N 2.79Å; N126-R129 WeakPolarHBondContact O-CB 3.49Å; N126-R129 PolarHBondContact O-N 3.03Å; N126-R129 PolarHBondContact OD1-NH1 3.42Å; F127-R129 PolarHBondContact O-N 3.45Å; R129-K132 PolarHBondContact O-N 3.43Å
130	M	95.3	Very high	95.2	Very high	4 Å²	4	48 Å²	48	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-41.2	177.8	-71.4	-56.8	-64.5	0	0	112.4	N126 F127 K132 A133 E134 Y138 I323 T637 Q641	N126-M130 PolarHBondContact O-N 3.49Å; F127-M130 PolarHBondContact O-N 2.85Å; M130-K132 PolarHBondContact O-N 2.83Å; M130-A133 WeakPolarHBondContact O-CA 3.26Å; M130-A133 PolarHBondContact O-N 3.45Å; M130-E134 HydrophobicContact CE-CG 4.38Å; M130-E134 PolarHBondContact O-N 2.82Å; M130-Y138 HydrophobicContact CB-CD1 4.02Å; M130-Y138 HydrophobicContact CB-CD2 3.87Å; M130-Y138 HydrophobicContact CB-CE1 4.03Å; M130-Y138 HydrophobicContact CB-CE2 3.87Å; M130-Y138 HydrophobicContact CB-CG 3.94Å; M130-Y138 HydrophobicContact CE-CD2 4.46Å; M130-Y138 HydrophobicContact CE-CE2 3.62Å; M130-Y138 HydrophobicContact CG-CE1 4.46Å; M130-Y138 HydrophobicContact CG-CE2 4.4Å; M130-I323 HydrophobicContact CG-CG1 4.1Å; M130-T637 HydrophobicContact CE-CG2 4.06Å; M130-T637 HydrophobicContact SD-CG2 4.49Å; M130-Q641 HydrophobicContact SD-CG 4.45Å
131	Q	95.9	Very high	95.3	Very high	55 Å²	55	47.5 Å²	47.5	26%	0.257	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	174.9	-175.7	-179.5	65	0	0	113.2	F127 A133 P135 Y138	F127-Q131 HydrophobicContact CD1-CB 4.26Å; F127-Q131 HydrophobicContact CE1-CB 4.16Å; F127-Q131 HydrophobicContact CE1-CG 4.49Å; F127-Q131 WeakPolarHBondContact O-CB 3.2Å; F127-Q131 PolarHBondContact O-N 3.47Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-P135 VanDerWaalsContact O-CA 3.23Å; Q131-P135 WeakPolarHBondContact O-CA 3.39Å; Q131-P135 WeakPolarHBondContact O-CB 3.48Å; Q131-Y138 WeakPolarHBondContact CG-O 3.48Å; Q131-Y138 PolarHBondContact NE2-O 3.42Å
132	K	94.4	Very high	95.4	Very high	170 Å²	170	47 Å²	47	74%	0.739	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.5	173.5	-73	173.7	-171.1	170.5	0	113.8	S128 R129 M130	S128-K132 WeakPolarHBondContact O-CD 3.45Å; S128-K132 WeakPolarHBondContact O-CE 3.37Å; S128-K132 VanDerWaalsContact O-CG 3.26Å; S128-K132 WeakPolarHBondContact O-CG 3.42Å; R129-K132 PolarHBondContact O-N 3.43Å; M130-K132 PolarHBondContact O-N 2.83Å
133	A	94.2	Very high	95.4	Very high	32 Å²	32	48.5 Å²	48.5	26%	0.264	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-38	179.5	0	0	0	0	0	112.4	M130 Q131 T637	M130-A133 WeakPolarHBondContact O-CA 3.26Å; M130-A133 PolarHBondContact O-N 3.45Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; A133-T637 HydrophobicContact CB-CG2 3.76Å
134	E	95.1	Very high	95.3	Very high	52 Å²	52	48.6 Å²	48.6	24%	0.243	24%	0.244	C	C	.	.	S	Bend	trans	-137.6	66.4	-172.4	-49.8	-76.4	-171.4	0	0	108.7	M130 D136 E137 Y138 L634 T637	M130-E134 HydrophobicContact CE-CG 4.38Å; M130-E134 PolarHBondContact O-N 2.82Å; E134-D136 PolarHBondContact O-N 3.29Å; E134-E137 HydrophobicContact CB-CB 4.19Å; E134-E137 PolarHBondContact O-N 3.43Å; E134-Y138 HydrophobicContact CB-CD2 4.11Å; E134-Y138 PolarHBondContact O-N 2.88Å; E134-L634 HydrophobicContact CB-CD2 4.12Å; E134-L634 HydrophobicContact CG-CD2 3.76Å; E134-T637 HydrophobicContact CG-CG2 3.87Å; E134-T637 WeakPolarHBondContact OE1-CB 3.24Å; E134-T637 WeakPolarHBondContact OE1-CG2 3.43Å; E134-T637 PolarHBondContact OE1-OG1 2.91Å
135	P	94.8	Very high	95.3	Very high	73 Å²	73	49.8 Å²	49.8	47%	0.474	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.7	-166.3	23.5	-34.1	0	0	0	114	Q131 E137 Y138	Q131-P135 VanDerWaalsContact O-CA 3.23Å; Q131-P135 WeakPolarHBondContact O-CA 3.39Å; Q131-P135 WeakPolarHBondContact O-CB 3.48Å; P135-E137 PolarHBondContact O-N 3.09Å; P135-Y138 PolarHBondContact O-N 2.68Å
136	D	94.4	Very high	95.2	Very high	139 Å²	139	45.7 Å²	45.7	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-21	-179.6	-57.4	-45.8	0	0	0	112.7	E134 N139	E134-D136 PolarHBondContact O-N 3.29Å; D136-N139 PolarHBondContact O-ND2 2.89Å
137	E	95.2	Very high	95	Very high	61 Å²	61	45.8 Å²	45.8	29%	0.285	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-24.8	-179	-65.5	-78.3	-167.1	0	0	112.2	E134 P135 F140 K319 L634	E134-E137 HydrophobicContact CB-CB 4.19Å; E134-E137 PolarHBondContact O-N 3.43Å; P135-E137 PolarHBondContact O-N 3.09Å; E137-F140 WeakPolarHBondContact O-CE1 3.4Å; E137-K319 WeakPolarHBondContact O-CD 3.32Å; E137-K319 WeakPolarHBondContact O-CE 3.4Å; E137-K319 PolarHBondContact O-NZ 3.22Å; E137-K319 WeakPolarHBondContact OE2-CE 3.37Å; E137-K319 IonicContact OE2-NZ 3.71Å; E137-K319 PolarHBondContact OE2-NZ 2.8Å; E137-L634 HydrophobicContact CB-CD1 4.45Å; E137-L634 HydrophobicContact CB-CD2 4.33Å; E137-L634 HydrophobicContact CG-CD2 4.26Å
138	Y	96.7	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-117.7	59.8	-176.8	-76.4	-88.2	0	0	0	112.4	F127 M130 Q131 E134 P135 F140 K319 I323 L634	F127-Y138 HydrophobicContact CD2-CD1 4.19Å; F127-Y138 VanDerWaalsContact CE1-O 3.29Å; F127-Y138 WeakPolarHBondContact CE1-O 3.15Å; F127-Y138 AromaticContact CE2-CD1 3.91Å; F127-Y138 HydrophobicContact CE2-CD1 3.91Å; F127-Y138 HydrophobicContact CZ-CD1 4.34Å; F127-Y138 VanDerWaalsContact CZ-O 3.28Å; F127-Y138 WeakPolarHBondContact CZ-O 3.1Å; M130-Y138 HydrophobicContact CB-CD1 4.02Å; M130-Y138 HydrophobicContact CB-CD2 3.87Å; M130-Y138 HydrophobicContact CB-CE1 4.03Å; M130-Y138 HydrophobicContact CB-CE2 3.87Å; M130-Y138 HydrophobicContact CB-CG 3.94Å; M130-Y138 HydrophobicContact CE-CD2 4.46Å; M130-Y138 HydrophobicContact CE-CE2 3.62Å; M130-Y138 HydrophobicContact CG-CE1 4.46Å; M130-Y138 HydrophobicContact CG-CE2 4.4Å; Q131-Y138 WeakPolarHBondContact CG-O 3.48Å; Q131-Y138 PolarHBondContact NE2-O 3.42Å; E134-Y138 HydrophobicContact CB-CD2 4.11Å; E134-Y138 PolarHBondContact O-N 2.88Å; P135-Y138 PolarHBondContact O-N 2.68Å; Y138-F140 AromaticContact CD1-CE1 3.71Å; Y138-F140 HydrophobicContact CD1-CE1 3.71Å; Y138-F140 AromaticContact CD1-CZ 3.78Å; Y138-F140 HydrophobicContact CD1-CZ 3.78Å; Y138-F140 HydrophobicContact CE1-CE1 4.18Å; Y138-F140 HydrophobicContact CE1-CZ 4Å; Y138-F140 HydrophobicContact CG-CE1 4.27Å; Y138-K319 HydrophobicContact CE1-CB 3.92Å; Y138-K319 WeakPolarHBondContact CE1-O 3.41Å; Y138-K319 PolarHBondContact OH-O 3Å; Y138-I323 HydrophobicContact CD1-CD1 4.32Å; Y138-I323 HydrophobicContact CE1-CD1 3.83Å; Y138-I323 HydrophobicContact CE1-CG1 3.77Å; Y138-L634 HydrophobicContact CE2-CD1 4.4Å; Y138-L634 HydrophobicContact CE2-CD2 4.33Å
139	N	95.5	Very high	94.4	Very high	94 Å²	94	53.6 Å²	53.6	50%	0.503	27%	0.27	S	S	.	.			trans	-111.2	-0.3	178.9	52.7	16.1	0	0	0	114	D136 M141 W449	D136-N139 PolarHBondContact O-ND2 2.89Å; N139-M141 PolarHBondContact O-N 3.33Å; N139-W449 WeakPolarHBondContact O-CZ3 3.39Å
140	F	97	Very high	94.3	Very high	16 Å²	16	51.3 Å²	51.3	7%	0.07	26%	0.264	C	S	.	.	S	Bend	trans	-88.7	15.6	-171.2	59.6	-95.7	0	0	0	115.7	F127 E137 Y138 L316 K319 T320 W449 L450	F127-F140 HydrophobicContact CD2-CE2 4.47Å; F127-F140 HydrophobicContact CE2-CD2 4.03Å; F127-F140 HydrophobicContact CE2-CE1 4.13Å; F127-F140 AromaticContact CE2-CE2 3.63Å; F127-F140 HydrophobicContact CE2-CE2 3.63Å; F127-F140 AromaticContact CE2-CZ 3.68Å; F127-F140 HydrophobicContact CE2-CZ 3.68Å; E137-F140 WeakPolarHBondContact O-CE1 3.4Å; Y138-F140 AromaticContact CD1-CE1 3.71Å; Y138-F140 HydrophobicContact CD1-CE1 3.71Å; Y138-F140 AromaticContact CD1-CZ 3.78Å; Y138-F140 HydrophobicContact CD1-CZ 3.78Å; Y138-F140 HydrophobicContact CE1-CE1 4.18Å; Y138-F140 HydrophobicContact CE1-CZ 4Å; Y138-F140 HydrophobicContact CG-CE1 4.27Å; F140-L316 HydrophobicContact CB-CD1 4.28Å; F140-L316 HydrophobicContact CD2-CB 4.16Å; F140-L316 HydrophobicContact CD2-CD1 3.93Å; F140-L316 HydrophobicContact CD2-CG 3.53Å; F140-L316 HydrophobicContact CE2-CB 4.46Å; F140-L316 HydrophobicContact CE2-CG 3.9Å; F140-L316 HydrophobicContact CG-CB 4.43Å; F140-L316 HydrophobicContact CG-CD1 4.4Å; F140-L316 HydrophobicContact CG-CG 4.19Å; F140-K319 HydrophobicContact CD1-CD 4.41Å; F140-K319 HydrophobicContact CE1-CB 3.8Å; F140-K319 HydrophobicContact CE1-CD 3.73Å; F140-K319 HydrophobicContact CE1-CG 4.44Å; F140-K319 HydrophobicContact CZ-CB 3.69Å; F140-K319 HydrophobicContact CZ-CD 4.46Å; F140-T320 WeakPolarHBondContact CE2-OG1 3.26Å; F140-W449 WeakPolarHBondContact O-CA 3.48Å; F140-L450 HydrophobicContact CD2-CB 4.18Å; F140-L450 HydrophobicContact CE2-CD2 4.29Å; F140-L450 PolarHBondContact O-N 2.81Å
141	M	96.7	Very high	94	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.049	28%	0.276	C	S	.	.	S	Bend	trans	-129	133.9	174.3	-169	-173	76	0	0	108.3	L123 F127 N139 L450	L123-M141 HydrophobicContact CD2-SD 4.41Å; L123-M141 HydrophobicContact CG-SD 4.26Å; F127-M141 HydrophobicContact CB-CE 3.96Å; F127-M141 HydrophobicContact CB-SD 4.29Å; F127-M141 HydrophobicContact CD1-CB 4.32Å; F127-M141 HydrophobicContact CD1-CE 3.61Å; F127-M141 HydrophobicContact CD1-SD 4.39Å; F127-M141 HydrophobicContact CD2-CB 4.08Å; F127-M141 HydrophobicContact CD2-CE 4.37Å; F127-M141 HydrophobicContact CD2-SD 4.1Å; F127-M141 HydrophobicContact CE1-CB 3.86Å; F127-M141 HydrophobicContact CE1-CE 4.19Å; F127-M141 HydrophobicContact CE2-CB 3.58Å; F127-M141 HydrophobicContact CG-CB 4.43Å; F127-M141 HydrophobicContact CG-CE 3.72Å; F127-M141 HydrophobicContact CG-SD 4.01Å; F127-M141 HydrophobicContact CZ-CB 3.46Å; F127-M141 VanDerWaalsContact CZ-CB 3.46Å; N139-M141 PolarHBondContact O-N 3.33Å; M141-L450 HydrophobicContact CB-CB 4.5Å
142	P	95.7	Very high	93.7	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.026	28%	0.284	C	S	.	.			trans	-62.2	152.6	179.5	-19.7	32.2	0	0	0	111.4	T144 Q205 E206 I208 W449	P142-T144 PolarHBondContact O-N 2.92Å; P142-T144 PolarHBondContact O-OG1 3.2Å; P142-Q205 HydrophobicContact CB-CG 3.84Å; P142-Q205 HydrophobicContact CG-CG 4.36Å; P142-E206 HydrophobicContact CB-CB 4.14Å; P142-I208 HydrophobicContact CG-CD1 3.76Å; P142-I208 HydrophobicContact CG-CG1 4.12Å; P142-W449 HydrophobicContact CG-CE3 3.93Å
143	N	94.5	Very high	93.6	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	28%	0.28	S	S	.	.			trans	-60.2	132.7	-176.4	-63.6	-77.3	0	0	0	110	W145 Q205 E206	N143-W145 HydrophobicContact CB-CH2 3.5Å; N143-W145 VanDerWaalsContact CB-CH2 3.5Å; N143-W145 HydrophobicContact CB-CZ2 3.8Å; N143-W145 HydrophobicContact CB-CZ3 4.18Å; N143-W145 WeakPolarHBondContact O-CZ3 3.32Å; N143-Q205 CarbonylContact O-C 3.45Å; N143-Q205 WeakPolarHBondContact O-CA 3.44Å; N143-E206 HydrophobicContact CB-CG 4.15Å; N143-E206 VanDerWaalsContact CB-OE2 3.26Å; N143-E206 WeakPolarHBondContact CB-OE2 3.34Å; N143-E206 PolarHBondContact N-OE2 3.31Å; N143-E206 VanDerWaalsContact N-OE2 3.16Å; N143-E206 PolarHBondContact ND2-OE2 3.03Å; N143-E206 PolarHBondContact O-N 2.9Å
144	T	95.6	Very high	93.5	Very high	9 Å²	9	52 Å²	52	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136.6	-168.7	-52.2	0	0	0	0	110.5	T124 P142 V203 I204 Q205	T124-T144 HydrophobicContact CG2-CG2 3.76Å; T124-T144 WeakPolarHBondContact CG2-O 3.31Å; T124-T144 WeakPolarHBondContact OG1-CG2 3.15Å; P142-T144 PolarHBondContact O-N 2.92Å; P142-T144 PolarHBondContact O-OG1 3.2Å; T144-V203 HydrophobicContact CG2-CB 3.84Å; T144-V203 HydrophobicContact CG2-CG1 4.42Å; T144-V203 HydrophobicContact CG2-CG2 4.19Å; T144-I204 CarbonylContact C-O 3.55Å; T144-I204 VanDerWaalsContact CA-O 3.28Å; T144-I204 WeakPolarHBondContact CA-O 3.4Å; T144-I204 WeakPolarHBondContact CG2-O 3.41Å; T144-Q205 HydrophobicContact CG2-CB 4.01Å; T144-Q205 VanDerWaalsContact OG1-CG 3.3Å; T144-Q205 WeakPolarHBondContact OG1-CG 3.49Å; T144-Q205 PolarHBondContact OG1-NE2 2.91Å
145	W	94.6	Very high	93.2	Very high	29 Å²	29	50.1 Å²	50.1	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.2	-177.4	-56.1	-89.4	0	0	0	110.7	N143 E150 F154 Y157 F170 V203 I204 E206	N143-W145 HydrophobicContact CB-CH2 3.5Å; N143-W145 VanDerWaalsContact CB-CH2 3.5Å; N143-W145 HydrophobicContact CB-CZ2 3.8Å; N143-W145 HydrophobicContact CB-CZ3 4.18Å; N143-W145 WeakPolarHBondContact O-CZ3 3.32Å; W145-E150 WeakPolarHBondContact CA-OE2 3.37Å; W145-E150 HydrophobicContact CB-CB 4.14Å; W145-F154 HydrophobicContact CB-CB 4.06Å; W145-F154 HydrophobicContact CD2-CB 4.08Å; W145-F154 HydrophobicContact CD2-CD2 4.01Å; W145-F154 AromaticContact CE3-CD2 3.64Å; W145-F154 HydrophobicContact CE3-CD2 3.64Å; W145-F154 HydrophobicContact CE3-CE2 4.43Å; W145-F154 HydrophobicContact CE3-CG 4.5Å; W145-F154 HydrophobicContact CG-CB 3.86Å; W145-F154 HydrophobicContact CZ3-CD2 4.01Å; W145-F154 HydrophobicContact CZ3-CE2 4.47Å; W145-Y157 AromaticContact CH2-CD1 3.38Å; W145-Y157 HydrophobicContact CH2-CD1 3.38Å; W145-Y157 AromaticContact CH2-CE1 3.46Å; W145-Y157 HydrophobicContact CH2-CE1 3.46Å; W145-Y157 VanDerWaalsContact CH2-CE1 3.46Å; W145-Y157 HydrophobicContact CH2-CG 4.15Å; W145-Y157 AromaticContact CZ2-CD1 3.42Å; W145-Y157 HydrophobicContact CZ2-CD1 3.42Å; W145-Y157 VanDerWaalsContact CZ2-CD1 3.42Å; W145-Y157 HydrophobicContact CZ2-CD2 4.31Å; W145-Y157 AromaticContact CZ2-CE1 3.81Å; W145-Y157 HydrophobicContact CZ2-CE1 3.81Å; W145-Y157 AromaticContact CZ2-CG 3.69Å; W145-Y157 HydrophobicContact CZ2-CG 3.69Å; W145-Y157 HydrophobicContact CZ3-CD1 4.44Å; W145-F170 HydrophobicContact CH2-CE1 4.48Å; W145-F170 HydrophobicContact CZ3-CD1 4.44Å; W145-F170 HydrophobicContact CZ3-CE1 4.16Å; W145-V203 CarbonylContact O-C 3.59Å; W145-V203 VanDerWaalsContact O-CA 3.25Å; W145-V203 WeakPolarHBondContact O-CA 3.48Å; W145-I204 HydrophobicContact CE3-CG2 4.38Å; W145-I204 PolarHBondContact N-O 3.33Å; W145-I204 PolarHBondContact O-N 2.8Å; W145-E206 HydrophobicContact CH2-CG 4.04Å; W145-E206 HydrophobicContact CZ3-CG 4.11Å
146	I	93.8	Very high	93	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.087	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.8	-177.6	-49.7	171.2	0	0	0	110.3	D121 T124 K125 Q149 E150 I201 V203	D121-I146 HydrophobicContact CB-CD1 4.39Å; D121-I146 HydrophobicContact CB-CG1 4.49Å; D121-I146 HydrophobicContact CB-CG2 4Å; D121-I146 VanDerWaalsContact O-CD1 3.23Å; D121-I146 WeakPolarHBondContact O-CD1 3.44Å; T124-I146 HydrophobicContact CG2-CD1 4.17Å; T124-I146 HydrophobicContact CG2-CG1 3.75Å; K125-I146 HydrophobicContact CB-CD1 3.89Å; I146-Q149 PolarHBondContact O-N 3.32Å; I146-E150 PolarHBondContact N-OE2 3.16Å; I146-E150 WeakPolarHBondContact O-CB 3.21Å; I146-E150 PolarHBondContact O-N 3.21Å; I146-I201 HydrophobicContact CG2-CG2 3.92Å; I146-V203 HydrophobicContact CG1-CG1 4.26Å
147	L	90.7	Very high	92.9	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143	-179.7	-69.5	87.4	0	0	0	111.4	Y151 S202 I204	L147-Y151 HydrophobicContact CD2-CD2 3.86Å; L147-S202 PolarHBondContact N-O 3.4Å; L147-S202 PolarHBondContact O-N 3.28Å; L147-I204 HydrophobicContact CD1-CB 3.84Å; L147-I204 HydrophobicContact CD1-CD1 3.71Å; L147-I204 HydrophobicContact CD1-CG1 3.55Å; L147-I204 HydrophobicContact CD2-CD1 3.72Å; L147-I204 HydrophobicContact CD2-CG1 4.39Å; L147-I204 HydrophobicContact CG-CD1 4.37Å
148	P	90.1	Very high	92.6	Very high	59 Å²	59	44.7 Å²	44.7	38%	0.383	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.2	-10.2	5	31.8	-35.8	0	0	0	115.3	E150 Y151 I196	P148-E150 VanDerWaalsContact C-N 3.34Å; P148-E150 PolarHBondContact O-N 2.91Å; P148-Y151 PolarHBondContact O-N 2.88Å; P148-I196 HydrophobicContact CB-CG1 4.48Å
149	Q	88.3	Confident	92.2	Very high	128 Å²	128	49.1 Å²	49.1	60%	0.598	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.2	-164.1	-61.5	84.4	5	0	0	114.8	I146	I146-Q149 PolarHBondContact O-N 3.32Å
150	E	91.6	Very high	92	Very high	53 Å²	53	50.5 Å²	50.5	25%	0.248	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	9.5	-174.4	-57.9	-176.6	138.4	0	0	113.3	W145 I146 P148 G152 Y153 F154	W145-E150 WeakPolarHBondContact CA-OE2 3.37Å; W145-E150 HydrophobicContact CB-CB 4.14Å; I146-E150 PolarHBondContact N-OE2 3.16Å; I146-E150 WeakPolarHBondContact O-CB 3.21Å; I146-E150 PolarHBondContact O-N 3.21Å; P148-E150 VanDerWaalsContact C-N 3.34Å; P148-E150 PolarHBondContact O-N 2.91Å; E150-G152 PolarHBondContact O-N 2.88Å; E150-G152 VanDerWaalsContact O-N 3.15Å; E150-Y153 HydrophobicContact CB-CD2 4.18Å; E150-Y153 HydrophobicContact CG-CD2 4.42Å; E150-Y153 WeakPolarHBondContact O-CB 3.27Å; E150-Y153 PolarHBondContact O-N 3.48Å; E150-F154 PolarHBondContact O-N 3.05Å
151	Y	89.2	Confident	91.6	Very high	67 Å²	67	51 Å²	51	26%	0.263	25%	0.246	S	C	.	.	H	α-helix	trans	-54.9	-35.1	-179.7	-179.5	-104.5	0	0	0	113	L147 P148 F154 S155 I192	L147-Y151 HydrophobicContact CD2-CD2 3.86Å; P148-Y151 PolarHBondContact O-N 2.88Å; Y151-F154 HydrophobicContact CD2-CD1 4.16Å; Y151-F154 HydrophobicContact CE2-CD1 4.32Å; Y151-F154 PolarHBondContact O-N 3.48Å; Y151-S155 WeakPolarHBondContact O-CB 3.49Å; Y151-S155 PolarHBondContact O-N 3.42Å; Y151-I192 HydrophobicContact CE2-CG2 4.38Å; Y151-I192 PolarHBondContact OH-O 2.77Å
152	G	90	Very high	91.1	Very high	43 Å²	43	53.6 Å²	53.6	44%	0.443	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-39.8	174.5	0	0	0	0	0	113.6	E150 N156	E150-G152 PolarHBondContact O-N 2.88Å; E150-G152 VanDerWaalsContact O-N 3.15Å; G152-N156 WeakPolarHBondContact O-CB 3.41Å; G152-N156 VanDerWaalsContact O-CG 3.23Å; G152-N156 PolarHBondContact O-N 2.74Å; G152-N156 VanDerWaalsContact O-N 3.08Å; G152-N156 PolarHBondContact O-ND2 3.31Å
153	Y	91.6	Very high	90.7	Very high	166 Å²	166	63.6 Å²	63.6	65%	0.651	29%	0.293	S	S	*	.	H	α-helix	trans	-69.3	-46.6	175.5	-64	-72.3	0	0	0	111	E150 N156 Y157	E150-Y153 HydrophobicContact CB-CD2 4.18Å; E150-Y153 HydrophobicContact CG-CD2 4.42Å; E150-Y153 WeakPolarHBondContact O-CB 3.27Å; E150-Y153 PolarHBondContact O-N 3.48Å; Y153-N156 PolarHBondContact O-N 3.44Å; Y153-Y157 WeakPolarHBondContact O-CB 3.24Å; Y153-Y157 PolarHBondContact O-N 3.33Å
154	F	91.6	Very high	90.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-51.4	174.1	167	-107.7	0	0	0	111.9	W145 E150 Y151 N156 Y157 A158 F170 M189 I192 I204	W145-F154 HydrophobicContact CB-CB 4.06Å; W145-F154 HydrophobicContact CD2-CB 4.08Å; W145-F154 HydrophobicContact CD2-CD2 4.01Å; W145-F154 AromaticContact CE3-CD2 3.64Å; W145-F154 HydrophobicContact CE3-CD2 3.64Å; W145-F154 HydrophobicContact CE3-CE2 4.43Å; W145-F154 HydrophobicContact CE3-CG 4.5Å; W145-F154 HydrophobicContact CG-CB 3.86Å; W145-F154 HydrophobicContact CZ3-CD2 4.01Å; W145-F154 HydrophobicContact CZ3-CE2 4.47Å; E150-F154 PolarHBondContact O-N 3.05Å; Y151-F154 HydrophobicContact CD2-CD1 4.16Å; Y151-F154 HydrophobicContact CE2-CD1 4.32Å; Y151-F154 PolarHBondContact O-N 3.48Å; F154-N156 VanDerWaalsContact C-N 3.33Å; F154-N156 PolarHBondContact O-N 3.47Å; F154-Y157 WeakPolarHBondContact O-CB 3.47Å; F154-Y157 PolarHBondContact O-N 3.42Å; F154-Y157 VanDerWaalsContact O-N 3.11Å; F154-A158 HydrophobicContact CE2-CB 4.18Å; F154-A158 HydrophobicContact CZ-CB 4.15Å; F154-A158 WeakPolarHBondContact O-CB 3.41Å; F154-A158 PolarHBondContact O-N 2.79Å; F154-F170 AromaticContact CE2-CD1 3.78Å; F154-F170 HydrophobicContact CE2-CD1 3.78Å; F154-F170 AromaticContact CE2-CD2 4Å; F154-F170 HydrophobicContact CE2-CD2 4Å; F154-F170 AromaticContact CE2-CE1 3.73Å; F154-F170 HydrophobicContact CE2-CE1 3.73Å; F154-F170 AromaticContact CE2-CE2 3.92Å; F154-F170 HydrophobicContact CE2-CE2 3.92Å; F154-F170 AromaticContact CE2-CG 3.92Å; F154-F170 HydrophobicContact CE2-CG 3.92Å; F154-F170 AromaticContact CE2-CZ 3.8Å; F154-F170 HydrophobicContact CE2-CZ 3.8Å; F154-F170 HydrophobicContact CZ-CD1 4.5Å; F154-F170 AromaticContact CZ-CD2 3.97Å; F154-F170 HydrophobicContact CZ-CD2 3.97Å; F154-F170 HydrophobicContact CZ-CE2 4.07Å; F154-F170 HydrophobicContact CZ-CG 4.18Å; F154-F170 HydrophobicContact CZ-CZ 4.4Å; F154-M189 HydrophobicContact CE1-CG 4.17Å; F154-M189 HydrophobicContact CZ-CG 4.39Å; F154-I192 HydrophobicContact CE1-CD1 3.73Å; F154-I192 HydrophobicContact CE1-CG2 4.16Å; F154-I192 HydrophobicContact CZ-CD1 3.48Å; F154-I192 VanDerWaalsContact CZ-CD1 3.48Å; F154-I204 HydrophobicContact CD1-CD1 4.25Å; F154-I204 HydrophobicContact CD2-CG2 3.96Å; F154-I204 HydrophobicContact CE1-CD1 4.01Å; F154-I204 HydrophobicContact CE2-CG2 3.63Å; F154-I204 HydrophobicContact CZ-CD1 4.25Å; F154-I204 HydrophobicContact CZ-CG2 4.06Å
155	S	89.2	Confident	89.8	Confident	12 Å²	12	68.9 Å²	68.9	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-38.6	-179	-178.6	0	0	0	0	112.1	Y151 R159	Y151-S155 WeakPolarHBondContact O-CB 3.49Å; Y151-S155 PolarHBondContact O-N 3.42Å; S155-R159 VanDerWaalsContact O-CB 3.25Å; S155-R159 WeakPolarHBondContact O-CB 3.25Å; S155-R159 WeakPolarHBondContact O-CG 3.5Å; S155-R159 PolarHBondContact O-N 2.7Å; S155-R159 PolarHBondContact O-NE 3.16Å; S155-R159 VanDerWaalsContact O-NE 3.13Å; S155-R159 PolarHBondContact OG-NE 2.81Å; S155-R159 PolarHBondContact OG-NH2 2.9Å
156	N	91.7	Very high	89.2	Confident	93 Å²	93	70.3 Å²	70.3	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-40.4	173.7	-76	-23.1	0	0	0	112	G152 Y153 F154 R159 K160	G152-N156 WeakPolarHBondContact O-CB 3.41Å; G152-N156 VanDerWaalsContact O-CG 3.23Å; G152-N156 PolarHBondContact O-N 2.74Å; G152-N156 VanDerWaalsContact O-N 3.08Å; G152-N156 PolarHBondContact O-ND2 3.31Å; Y153-N156 PolarHBondContact O-N 3.44Å; F154-N156 VanDerWaalsContact C-N 3.33Å; F154-N156 PolarHBondContact O-N 3.47Å; N156-R159 VanDerWaalsContact OD1-CZ 3.31Å; N156-R159 PolarHBondContact OD1-NH1 3.24Å; N156-R159 VanDerWaalsContact OD1-NH1 3.09Å; N156-R159 PolarHBondContact OD1-NH2 3.41Å; N156-K160 PolarHBondContact O-N 2.99Å; N156-K160 VanDerWaalsContact O-N 3.09Å
157	Y	92.3	Very high	88.5	Confident	66 Å²	66	75.1 Å²	75.1	26%	0.259	37%	0.372	S	S	.	.	H	α-helix	trans	-66.8	-51.3	177.7	-179.9	-98.7	0	0	0	112.2	W145 Y153 F154 R159 K160 L161 E206	W145-Y157 AromaticContact CH2-CD1 3.38Å; W145-Y157 HydrophobicContact CH2-CD1 3.38Å; W145-Y157 AromaticContact CH2-CE1 3.46Å; W145-Y157 HydrophobicContact CH2-CE1 3.46Å; W145-Y157 VanDerWaalsContact CH2-CE1 3.46Å; W145-Y157 HydrophobicContact CH2-CG 4.15Å; W145-Y157 AromaticContact CZ2-CD1 3.42Å; W145-Y157 HydrophobicContact CZ2-CD1 3.42Å; W145-Y157 VanDerWaalsContact CZ2-CD1 3.42Å; W145-Y157 HydrophobicContact CZ2-CD2 4.31Å; W145-Y157 AromaticContact CZ2-CE1 3.81Å; W145-Y157 HydrophobicContact CZ2-CE1 3.81Å; W145-Y157 AromaticContact CZ2-CG 3.69Å; W145-Y157 HydrophobicContact CZ2-CG 3.69Å; W145-Y157 HydrophobicContact CZ3-CD1 4.44Å; Y153-Y157 WeakPolarHBondContact O-CB 3.24Å; Y153-Y157 PolarHBondContact O-N 3.33Å; F154-Y157 WeakPolarHBondContact O-CB 3.47Å; F154-Y157 PolarHBondContact O-N 3.42Å; F154-Y157 VanDerWaalsContact O-N 3.11Å; Y157-R159 PolarHBondContact O-N 3.39Å; Y157-K160 WeakPolarHBondContact O-CA 3.34Å; Y157-K160 VanDerWaalsContact O-CB 3.28Å; Y157-K160 WeakPolarHBondContact O-CB 3.45Å; Y157-K160 PolarHBondContact O-N 3.41Å; Y157-L161 HydrophobicContact CD1-CD1 4.16Å; Y157-L161 HydrophobicContact CE1-CD1 3.5Å; Y157-L161 HydrophobicContact CE1-CG 4.25Å; Y157-L161 PolarHBondContact O-N 2.76Å; Y157-L161 VanDerWaalsContact O-N 3.13Å; Y157-E206 WeakPolarHBondContact CE1-OE1 3.21Å; Y157-E206 VanDerWaalsContact CZ-OE1 3.25Å; Y157-E206 PolarHBondContact OH-OE1 3.37Å
158	A	88.6	Confident	88.1	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-57.8	-48	176.2	0	0	0	0	0	111.3	F154 K160 L161 Y162 F170 M189	F154-A158 HydrophobicContact CE2-CB 4.18Å; F154-A158 HydrophobicContact CZ-CB 4.15Å; F154-A158 WeakPolarHBondContact O-CB 3.41Å; F154-A158 PolarHBondContact O-N 2.79Å; A158-K160 PolarHBondContact O-N 3.39Å; A158-L161 PolarHBondContact O-N 3.4Å; A158-Y162 HydrophobicContact CB-CE2 4.34Å; A158-Y162 WeakPolarHBondContact O-CD2 3.24Å; A158-Y162 PolarHBondContact O-N 3.46Å; A158-F170 HydrophobicContact CB-CE2 3.93Å; A158-F170 HydrophobicContact CB-CZ 3.97Å; A158-M189 HydrophobicContact CB-CB 4.5Å; A158-M189 HydrophobicContact CB-CG 3.9Å
159	R	88.7	Confident	88.1	Confident	92 Å²	92	72.9 Å²	72.9	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-26.9	175.4	-78	-178.8	-82.2	116.6	1.1	113.5	S155 N156 Y157 R163 M189	S155-R159 VanDerWaalsContact O-CB 3.25Å; S155-R159 WeakPolarHBondContact O-CB 3.25Å; S155-R159 WeakPolarHBondContact O-CG 3.5Å; S155-R159 PolarHBondContact O-N 2.7Å; S155-R159 PolarHBondContact O-NE 3.16Å; S155-R159 VanDerWaalsContact O-NE 3.13Å; S155-R159 PolarHBondContact OG-NE 2.81Å; S155-R159 PolarHBondContact OG-NH2 2.9Å; N156-R159 VanDerWaalsContact OD1-CZ 3.31Å; N156-R159 PolarHBondContact OD1-NH1 3.24Å; N156-R159 VanDerWaalsContact OD1-NH1 3.09Å; N156-R159 PolarHBondContact OD1-NH2 3.41Å; Y157-R159 PolarHBondContact O-N 3.39Å; R159-R163 WeakPolarHBondContact O-CB 3.31Å; R159-R163 WeakPolarHBondContact O-CD 3.44Å; R159-R163 WeakPolarHBondContact O-CG 3.46Å; R159-R163 PolarHBondContact O-N 3.5Å; R159-M189 HydrophobicContact CG-CE 4.08Å
160	K	90.9	Very high	88.2	Confident	124 Å²	124	66.8 Å²	66.8	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-46.5	171.4	-172.2	-166.5	168.9	-169.2	0	110.8	N156 Y157 A158 R163 Q164	N156-K160 PolarHBondContact O-N 2.99Å; N156-K160 VanDerWaalsContact O-N 3.09Å; Y157-K160 WeakPolarHBondContact O-CA 3.34Å; Y157-K160 VanDerWaalsContact O-CB 3.28Å; Y157-K160 WeakPolarHBondContact O-CB 3.45Å; Y157-K160 PolarHBondContact O-N 3.41Å; A158-K160 PolarHBondContact O-N 3.39Å; K160-R163 WeakPolarHBondContact O-CB 3.32Å; K160-R163 PolarHBondContact O-N 2.73Å; K160-Q164 WeakPolarHBondContact O-CG 3.45Å; K160-Q164 PolarHBondContact O-N 2.99Å
161	L	88.5	Confident	88.1	Confident	27 Å²	27	64.9 Å²	64.9	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-46.2	179.1	-66.6	-180	0	0	0	112.6	Y157 A158 R163 Q164 G165 C166 P168	Y157-L161 HydrophobicContact CD1-CD1 4.16Å; Y157-L161 HydrophobicContact CE1-CD1 3.5Å; Y157-L161 HydrophobicContact CE1-CG 4.25Å; Y157-L161 PolarHBondContact O-N 2.76Å; Y157-L161 VanDerWaalsContact O-N 3.13Å; A158-L161 PolarHBondContact O-N 3.4Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 3.44Å; L161-Q164 CarbonylContact O-C 3.53Å; L161-Q164 WeakPolarHBondContact O-CA 3.32Å; L161-Q164 WeakPolarHBondContact O-CB 3.47Å; L161-Q164 PolarHBondContact O-N 3.31Å; L161-G165 PolarHBondContact O-N 3.26Å; L161-C166 CarbonylContact C-O 3.58Å; L161-C166 HydrophobicContact CB-CB 4.2Å; L161-C166 WeakPolarHBondContact O-CB 3.38Å; L161-C166 PolarHBondContact O-N 3.13Å; L161-C166 VanDerWaalsContact O-N 3.08Å; L161-P168 HydrophobicContact CB-CG 4.02Å; L161-P168 HydrophobicContact CD1-CB 3.98Å; L161-P168 HydrophobicContact CD1-CG 3.8Å
162	Y	85.1	Confident	88.2	Confident	64 Å²	64	63.3 Å²	63.3	25%	0.251	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-36.5	175.3	-69.8	-71.9	0	0	0	112.6	A158 Q164 G165 C166 P168 C187 M189	A158-Y162 HydrophobicContact CB-CE2 4.34Å; A158-Y162 WeakPolarHBondContact O-CD2 3.24Å; A158-Y162 PolarHBondContact O-N 3.46Å; Y162-Q164 PolarHBondContact O-N 3.49Å; Y162-G165 PolarHBondContact O-N 2.86Å; Y162-G165 VanDerWaalsContact O-N 3.11Å; Y162-C166 WeakPolarHBondContact CA-O 3.15Å; Y162-C166 WeakPolarHBondContact CD1-O 3.41Å; Y162-P168 HydrophobicContact CE2-CG 4.48Å; Y162-C187 PolarHBondContact OH-O 3Å; Y162-M189 HydrophobicContact CE2-CB 3.82Å; Y162-M189 PolarHBondContact OH-N 3.38Å
163	R	88.2	Confident	88.2	Confident	214 Å²	214	61.6 Å²	61.6	81%	0.808	30%	0.297	S	S	*	.	H	α-helix	trans	-67.3	-16.8	172.7	-75.6	171	176.4	-173.9	-3.7	114	R159 K160 L161	R159-R163 WeakPolarHBondContact O-CB 3.31Å; R159-R163 WeakPolarHBondContact O-CD 3.44Å; R159-R163 WeakPolarHBondContact O-CG 3.46Å; R159-R163 PolarHBondContact O-N 3.5Å; K160-R163 WeakPolarHBondContact O-CB 3.32Å; K160-R163 PolarHBondContact O-N 2.73Å; L161-R163 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 3.44Å
164	Q	88.7	Confident	88.1	Confident	118 Å²	118	55.2 Å²	55.2	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	7.3	174.3	-65.2	179.2	-93	0	0	112.3	K160 L161 Y162 C166	K160-Q164 WeakPolarHBondContact O-CG 3.45Å; K160-Q164 PolarHBondContact O-N 2.99Å; L161-Q164 CarbonylContact O-C 3.53Å; L161-Q164 WeakPolarHBondContact O-CA 3.32Å; L161-Q164 WeakPolarHBondContact O-CB 3.47Å; L161-Q164 PolarHBondContact O-N 3.31Å; Y162-Q164 PolarHBondContact O-N 3.49Å; Q164-C166 VanDerWaalsContact C-N 3.26Å; Q164-C166 PolarHBondContact O-N 3.41Å
165	G	82.8	Confident	87.9	Confident	67 Å²	67	55.4 Å²	55.4	69%	0.691	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	8.3	-177.4	0	0	0	0	0	114.2	L161 Y162	L161-G165 PolarHBondContact O-N 3.26Å; Y162-G165 PolarHBondContact O-N 2.86Å; Y162-G165 VanDerWaalsContact O-N 3.11Å
166	C	81.1	Confident	87.5	Confident	59 Å²	59	60.4 Å²	60.4	40%	0.399	30%	0.303	S	S	.	.			trans	-87.2	132.8	176.3	-53.6	0	0	0	0	110	L161 Y162 Q164 P168	L161-C166 CarbonylContact C-O 3.58Å; L161-C166 HydrophobicContact CB-CB 4.2Å; L161-C166 WeakPolarHBondContact O-CB 3.38Å; L161-C166 PolarHBondContact O-N 3.13Å; L161-C166 VanDerWaalsContact O-N 3.08Å; Y162-C166 WeakPolarHBondContact CA-O 3.15Å; Y162-C166 WeakPolarHBondContact CD1-O 3.41Å; Q164-C166 VanDerWaalsContact C-N 3.26Å; Q164-C166 PolarHBondContact O-N 3.41Å; C166-P168 WeakPolarHBondContact O-CD 3.3Å
167	N	79.4	Confident	86.9	Confident	117 Å²	117	56.8 Å²	56.8	63%	0.626	29%	0.288	S	S	*	.			trans	-106	80.3	170.1	-69.9	-17.3	0	0	0	109.4
168	P	83.4	Confident	85.9	Confident	17 Å²	17	56 Å²	56	11%	0.11	30%	0.295	C	S	.	.			trans	-74.1	136.1	-176.5	30.9	-37.6	0	0	0	112.3	L161 Y162 C166 F170	L161-P168 HydrophobicContact CB-CG 4.02Å; L161-P168 HydrophobicContact CD1-CB 3.98Å; L161-P168 HydrophobicContact CD1-CG 3.8Å; Y162-P168 HydrophobicContact CE2-CG 4.48Å; C166-P168 WeakPolarHBondContact O-CD 3.3Å; P168-F170 HydrophobicContact CB-CE2 4.07Å; P168-F170 HydrophobicContact CB-CZ 3.95Å; P168-F170 HydrophobicContact CG-CE2 3.59Å; P168-F170 HydrophobicContact CG-CZ 3.68Å
169	C	88.3	Confident	85.1	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.02	32%	0.322	C	S	.	.			trans	-82.1	137.4	165.2	-170.8	0	0	0	0	111.7	C187 Y207 E209 P253	C169-C187 VanDerWaalsContact SG-SG 3.63Å; C169-Y207 HydrophobicContact CB-CD1 4.14Å; C169-Y207 HydrophobicContact CB-CG 4.41Å; C169-Y207 VanDerWaalsContact O-CB 3.25Å; C169-Y207 WeakPolarHBondContact O-CB 3.46Å; C169-Y207 PolarHBondContact O-N 3.42Å; C169-E209 HydrophobicContact CB-CG 4.49Å; C169-E209 WeakPolarHBondContact CB-OE1 3.22Å; C169-E209 PolarHBondContact N-OE1 2.92Å; C169-P253 HydrophobicContact CB-CB 4.39Å
170	F	90.9	Very high	84.2	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.4	175.4	-63.5	-72.2	0	0	0	111.7	W145 F154 A158 P168 L185 Y186 I192 I204 Q205 E206	W145-F170 HydrophobicContact CH2-CE1 4.48Å; W145-F170 HydrophobicContact CZ3-CD1 4.44Å; W145-F170 HydrophobicContact CZ3-CE1 4.16Å; F154-F170 AromaticContact CE2-CD1 3.78Å; F154-F170 HydrophobicContact CE2-CD1 3.78Å; F154-F170 AromaticContact CE2-CD2 4Å; F154-F170 HydrophobicContact CE2-CD2 4Å; F154-F170 AromaticContact CE2-CE1 3.73Å; F154-F170 HydrophobicContact CE2-CE1 3.73Å; F154-F170 AromaticContact CE2-CE2 3.92Å; F154-F170 HydrophobicContact CE2-CE2 3.92Å; F154-F170 AromaticContact CE2-CG 3.92Å; F154-F170 HydrophobicContact CE2-CG 3.92Å; F154-F170 AromaticContact CE2-CZ 3.8Å; F154-F170 HydrophobicContact CE2-CZ 3.8Å; F154-F170 HydrophobicContact CZ-CD1 4.5Å; F154-F170 AromaticContact CZ-CD2 3.97Å; F154-F170 HydrophobicContact CZ-CD2 3.97Å; F154-F170 HydrophobicContact CZ-CE2 4.07Å; F154-F170 HydrophobicContact CZ-CG 4.18Å; F154-F170 HydrophobicContact CZ-CZ 4.4Å; A158-F170 HydrophobicContact CB-CE2 3.93Å; A158-F170 HydrophobicContact CB-CZ 3.97Å; P168-F170 HydrophobicContact CB-CE2 4.07Å; P168-F170 HydrophobicContact CB-CZ 3.95Å; P168-F170 HydrophobicContact CG-CE2 3.59Å; P168-F170 HydrophobicContact CG-CZ 3.68Å; F170-L185 CarbonylContact O-C 3.54Å; F170-L185 WeakPolarHBondContact O-CA 3.32Å; F170-Y186 PolarHBondContact N-O 3.4Å; F170-Y186 PolarHBondContact O-N 2.82Å; F170-I192 HydrophobicContact CD2-CD1 4.42Å; F170-I204 HydrophobicContact CB-CG2 3.9Å; F170-I204 HydrophobicContact CD1-CG2 4.14Å; F170-I204 HydrophobicContact CG-CG2 4.22Å; F170-Q205 WeakPolarHBondContact CA-O 3.39Å; F170-E206 HydrophobicContact CD1-CG 4.32Å; F170-E206 HydrophobicContact CE1-CG 4.01Å
171	I	90.1	Very high	83.3	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.062	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.6	177.6	-171.6	170.7	0	0	0	110.8	K173 I183 R184 L185 Q205 Y207 L265	I171-K173 HydrophobicContact CG1-CG 4.3Å; I171-I183 HydrophobicContact CD1-CG2 3.74Å; I171-I183 HydrophobicContact CG1-CG2 3.62Å; I171-R184 WeakPolarHBondContact CA-O 3.49Å; I171-L185 HydrophobicContact CB-CD2 3.72Å; I171-L185 HydrophobicContact CD1-CD2 4.17Å; I171-L185 HydrophobicContact CG1-CD2 3.88Å; I171-Q205 HydrophobicContact CG2-CB 3.92Å; I171-Q205 HydrophobicContact CG2-CG 4.4Å; I171-Q205 WeakPolarHBondContact CG2-O 3.46Å; I171-Q205 PolarHBondContact N-O 2.87Å; I171-Q205 PolarHBondContact O-N 2.61Å; I171-Y207 HydrophobicContact CB-CD2 4.14Å; I171-Y207 HydrophobicContact CD1-CD2 4.23Å; I171-Y207 HydrophobicContact CD1-CE2 4.34Å; I171-Y207 HydrophobicContact CG2-CD2 4.3Å; I171-L265 HydrophobicContact CD1-CD2 4.34Å
172	Q	90.3	Very high	82.9	Confident	34 Å²	34	60.1 Å²	60.1	16%	0.159	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.6	173.6	-169.1	-179.7	18	0	0	109.7	I183 R184 Y186 S202 V203 I204	Q172-I183 VanDerWaalsContact O-CA 3.31Å; Q172-I183 WeakPolarHBondContact O-CA 3.27Å; Q172-R184 PolarHBondContact N-O 3.37Å; Q172-R184 PolarHBondContact O-N 3.25Å; Q172-R184 VanDerWaalsContact O-N 3.07Å; Q172-Y186 HydrophobicContact CB-CD2 4.25Å; Q172-Y186 HydrophobicContact CB-CE2 3.79Å; Q172-Y186 VanDerWaalsContact OE1-CE2 3.29Å; Q172-Y186 PolarHBondContact OE1-OH 3.06Å; Q172-Y186 VanDerWaalsContact OE1-OH 3.14Å; Q172-S202 PolarHBondContact NE2-OG 2.93Å; Q172-V203 CarbonylContact C-O 3.49Å; Q172-V203 WeakPolarHBondContact CA-O 3.24Å; Q172-I204 HydrophobicContact CB-CG1 4.05Å; Q172-I204 HydrophobicContact CG-CG1 3.98Å
173	K	90.4	Very high	82.7	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.7	-179.2	-55.2	174	177.4	173.8	0	109.9	K120 I171 I183 S202 V203	K120-K173 HydrophobicContact CD-CB 3.92Å; K120-K173 HydrophobicContact CD-CD 4.26Å; I171-K173 HydrophobicContact CG1-CG 4.3Å; K173-I183 HydrophobicContact CB-CG1 4.48Å; K173-I183 HydrophobicContact CG-CD1 4.17Å; K173-I183 HydrophobicContact CG-CG1 4.2Å; K173-S202 CarbonylContact O-C 3.56Å; K173-S202 WeakPolarHBondContact O-CA 3.44Å; K173-S202 WeakPolarHBondContact O-CB 3.45Å; K173-V203 HydrophobicContact CB-CG2 3.94Å; K173-V203 PolarHBondContact N-O 3.39Å; K173-V203 PolarHBondContact O-N 3.44Å
174	P	89.8	Confident	82.5	Confident	31 Å²	31	56.1 Å²	56.1	20%	0.201	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	142.1	173.6	-19.5	31.7	0	0	0	111	N176 G177 G182	P174-N176 VanDerWaalsContact C-N 3.32Å; P174-N176 PolarHBondContact O-N 2.86Å; P174-G177 PolarHBondContact O-N 3.41Å; P174-G182 WeakPolarHBondContact CD-O 3.41Å
175	A	86.7	Confident	82.4	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.033	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-38.6	-171.7	0	0	0	0	0	114.3	K120 D121 I201	K120-A175 PolarHBondContact N-O 3.19Å; K120-A175 VanDerWaalsContact N-O 3.15Å; D121-A175 HydrophobicContact CB-CB 3.93Å; A175-I201 HydrophobicContact CB-CB 4.07Å; A175-I201 HydrophobicContact CB-CG2 3.89Å; A175-I201 WeakPolarHBondContact CB-O 3.49Å; A175-I201 PolarHBondContact N-O 3.48Å
176	N	82.2	Confident	82.4	Confident	117 Å²	117	49.9 Å²	49.9	63%	0.626	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	9.9	173	-70.8	-33.6	0	0	0	112.9	R119 P174	R119-N176 VanDerWaalsContact CD-OD1 3.22Å; R119-N176 WeakPolarHBondContact CD-OD1 3.41Å; R119-N176 WeakPolarHBondContact CG-OD1 3.49Å; R119-N176 VanDerWaalsContact CZ-OD1 3.24Å; R119-N176 PolarHBondContact NE-OD1 2.86Å; R119-N176 PolarHBondContact NH1-ND2 2.82Å; R119-N176 PolarHBondContact NH1-OD1 3.12Å; P174-N176 VanDerWaalsContact C-N 3.32Å; P174-N176 PolarHBondContact O-N 2.86Å
177	G	77.6	Confident	82.3	Confident	18 Å²	18	48.1 Å²	48.1	19%	0.186	26%	0.261	C	S	.	.			trans	-67.9	142.5	-175.6	0	0	0	0	0	112.6	K120 P174	K120-G177 PolarHBondContact NZ-O 3.34Å; P174-G177 PolarHBondContact O-N 3.41Å
178	A	72.5	Confident	82.1	Confident	49 Å²	49	44.6 Å²	44.6	41%	0.405	24%	0.242	S	C	.	.			trans	-138.4	170	178.7	0	0	0	0	0	110.5	G180 H181	A178-G180 PolarHBondContact O-N 3.17Å; A178-H181 PolarHBondContact O-N 3.32Å
179	M	71.5	Confident	81.7	Confident	117 Å²	117	44.8 Å²	44.8	58%	0.576	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	10.8	176.4	-56.6	-170.4	-172.7	0	0	115.9	H181 S269	M179-H181 VanDerWaalsContact C-N 3.32Å; M179-S269 WeakPolarHBondContact CA-OG 3.45Å; M179-S269 WeakPolarHBondContact CB-OG 3.46Å; M179-S269 PolarHBondContact O-OG 3.24Å
180	G	68.9	Low	81	Confident	10 Å²	10	51 Å²	51	10%	0.103	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	0.8	-172.1	0	0	0	0	0	114.7	A178 I183	A178-G180 PolarHBondContact O-N 3.17Å; G180-I183 WeakPolarHBondContact O-CB 3.48Å; G180-I183 WeakPolarHBondContact O-CG1 3.37Å; G180-I183 PolarHBondContact O-N 2.89Å
181	H	73.9	Confident	80.3	Confident	163 Å²	163	55 Å²	55	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	137.1	-175.8	-165.5	79.4	0	0	0	112.3	A178 M179 I183	A178-H181 PolarHBondContact O-N 3.32Å; M179-H181 VanDerWaalsContact C-N 3.32Å; H181-I183 PolarHBondContact O-N 2.95Å
182	G	78.4	Confident	79.5	Confident	40 Å²	40	54.5 Å²	54.5	41%	0.412	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	7.6	-176.8	0	0	0	0	0	115.2	P174	P174-G182 WeakPolarHBondContact CD-O 3.41Å
183	I	82.4	Confident	78.3	Confident	35 Å²	35	56.9 Å²	56.9	18%	0.179	31%	0.31	C	S	.	.			trans	-74.5	138.8	172.9	-63.5	-173	0	0	0	109.9	I171 Q172 K173 G180 H181 L265	I171-I183 HydrophobicContact CD1-CG2 3.74Å; I171-I183 HydrophobicContact CG1-CG2 3.62Å; Q172-I183 VanDerWaalsContact O-CA 3.31Å; Q172-I183 WeakPolarHBondContact O-CA 3.27Å; K173-I183 HydrophobicContact CB-CG1 4.48Å; K173-I183 HydrophobicContact CG-CD1 4.17Å; K173-I183 HydrophobicContact CG-CG1 4.2Å; G180-I183 WeakPolarHBondContact O-CB 3.48Å; G180-I183 WeakPolarHBondContact O-CG1 3.37Å; G180-I183 PolarHBondContact O-N 2.89Å; H181-I183 PolarHBondContact O-N 2.95Å; I183-L265 HydrophobicContact CG2-CD2 4.05Å
184	R	83.7	Confident	76.8	Confident	159 Å²	159	57.7 Å²	57.7	60%	0.6	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	152.1	175.7	-66.6	-179.2	-178.7	164.2	1.6	110.8	I171 Q172 Y186	I171-R184 WeakPolarHBondContact CA-O 3.49Å; Q172-R184 PolarHBondContact N-O 3.37Å; Q172-R184 PolarHBondContact O-N 3.25Å; Q172-R184 VanDerWaalsContact O-N 3.07Å; R184-Y186 HydrophobicContact CB-CD2 4.39Å; R184-Y186 HydrophobicContact CB-CE2 3.61Å; R184-Y186 VanDerWaalsContact CD-OH 3.27Å; R184-Y186 WeakPolarHBondContact CD-OH 3.39Å
185	L	85.2	Confident	75.1	Confident	28 Å²	28	61.1 Å²	61.1	15%	0.147	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.4	176.2	-72.1	164.8	0	0	0	110.2	F170 I171 Y207 P256 Q264	F170-L185 CarbonylContact O-C 3.54Å; F170-L185 WeakPolarHBondContact O-CA 3.32Å; I171-L185 HydrophobicContact CB-CD2 3.72Å; I171-L185 HydrophobicContact CD1-CD2 4.17Å; I171-L185 HydrophobicContact CG1-CD2 3.88Å; L185-Y207 HydrophobicContact CD2-CD2 3.71Å; L185-Y207 HydrophobicContact CD2-CE2 3.92Å; L185-Y207 HydrophobicContact CD2-CG 4.09Å; L185-P256 VanDerWaalsContact O-CB 3.26Å; L185-P256 WeakPolarHBondContact O-CB 3.44Å; L185-Q264 HydrophobicContact CD1-CB 3.61Å; L185-Q264 HydrophobicContact CD1-CG 3.7Å
186	Y	83.2	Confident	73.6	Confident	26 Å²	26	66.6 Å²	66.6	10%	0.102	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	111.8	-177.4	-62.6	-85.6	0	0	0	110.4	F170 Q172 R184 K191 I192	F170-Y186 PolarHBondContact N-O 3.4Å; F170-Y186 PolarHBondContact O-N 2.82Å; Q172-Y186 HydrophobicContact CB-CD2 4.25Å; Q172-Y186 HydrophobicContact CB-CE2 3.79Å; Q172-Y186 VanDerWaalsContact OE1-CE2 3.29Å; Q172-Y186 PolarHBondContact OE1-OH 3.06Å; Q172-Y186 VanDerWaalsContact OE1-OH 3.14Å; R184-Y186 HydrophobicContact CB-CD2 4.39Å; R184-Y186 HydrophobicContact CB-CE2 3.61Å; R184-Y186 VanDerWaalsContact CD-OH 3.27Å; R184-Y186 WeakPolarHBondContact CD-OH 3.39Å; Y186-K191 HydrophobicContact CD1-CB 4.08Å; Y186-K191 HydrophobicContact CE1-CB 4.41Å; Y186-K191 VanDerWaalsContact CE1-O 3.26Å; Y186-K191 WeakPolarHBondContact CE1-O 3.42Å; Y186-I192 HydrophobicContact CD1-CG1 3.72Å; Y186-I192 HydrophobicContact CD2-CD1 4.45Å; Y186-I192 HydrophobicContact CD2-CG1 3.96Å; Y186-I192 HydrophobicContact CE1-CG1 4.35Å; Y186-I192 HydrophobicContact CG-CD1 4.11Å; Y186-I192 HydrophobicContact CG-CG1 3.49Å; Y186-I192 VanDerWaalsContact CG-CG1 3.49Å
187	C	79.7	Confident	72	Confident	22 Å²	22	67.2 Å²	67.2	15%	0.149	37%	0.368	C	S	.	.	S	Bend	trans	-92.3	-2.8	170.1	-54.1	0	0	0	0	112.7	Y162 C169 P253	Y162-C187 PolarHBondContact OH-O 3Å; C169-C187 VanDerWaalsContact SG-SG 3.63Å; C187-P253 PolarHBondContact SG-O 2.91Å; C187-P253 VanDerWaalsContact SG-O 3.34Å
188	D	75.9	Confident	71.1	Confident	42 Å²	42	71.9 Å²	71.9	23%	0.225	39%	0.389	C	S	.	.			trans	-132.1	121.8	178.8	167.4	19.7	0	0	0	109.2	N190 K191	D188-N190 VanDerWaalsContact C-N 3.28Å; D188-N190 PolarHBondContact O-N 3.3Å; D188-N190 WeakPolarHBondContact OD1-CB 3.37Å; D188-N190 PolarHBondContact OD1-N 2.68Å; D188-N190 PolarHBondContact OD1-ND2 3.41Å; D188-K191 HydrophobicContact CB-CD 4.09Å; D188-K191 HydrophobicContact CB-CG 4.46Å; D188-K191 PolarHBondContact O-N 3.19Å; D188-K191 WeakPolarHBondContact OD2-CD 3.27Å; D188-K191 VanDerWaalsContact OD2-CE 3.22Å; D188-K191 WeakPolarHBondContact OD2-CE 3.22Å; D188-K191 WeakPolarHBondContact OD2-CG 3.33Å; D188-K191 IonicContact OD2-NZ 3.99Å
189	M	74.1	Confident	70.8	Confident	21 Å²	21	76.4 Å²	76.4	10%	0.103	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-67.2	-26.2	-178	-169.7	-83.2	-48.8	0	0	112.9	F154 A158 R159 Y162 K191 I192	F154-M189 HydrophobicContact CE1-CG 4.17Å; F154-M189 HydrophobicContact CZ-CG 4.39Å; A158-M189 HydrophobicContact CB-CB 4.5Å; A158-M189 HydrophobicContact CB-CG 3.9Å; R159-M189 HydrophobicContact CG-CE 4.08Å; Y162-M189 HydrophobicContact CE2-CB 3.82Å; Y162-M189 PolarHBondContact OH-N 3.38Å; M189-K191 VanDerWaalsContact C-N 3.27Å; M189-K191 PolarHBondContact O-N 3.05Å; M189-I192 WeakPolarHBondContact O-CB 3.37Å; M189-I192 PolarHBondContact O-N 3.12Å; M189-I192 VanDerWaalsContact O-N 3.1Å
190	N	73.2	Confident	71	Confident	133 Å²	133	76.4 Å²	76.4	71%	0.711	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-70.5	-25.2	-179.9	-53.6	-69.1	0	0	0	112.4	D188 I192	D188-N190 VanDerWaalsContact C-N 3.28Å; D188-N190 PolarHBondContact O-N 3.3Å; D188-N190 WeakPolarHBondContact OD1-CB 3.37Å; D188-N190 PolarHBondContact OD1-N 2.68Å; D188-N190 PolarHBondContact OD1-ND2 3.41Å; N190-I192 VanDerWaalsContact C-N 3.26Å
191	K	75.7	Confident	71.8	Confident	85 Å²	85	78.9 Å²	78.9	37%	0.37	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-79.2	-7.7	173.8	-66.6	168.4	-170.1	173	0	112.6	Y186 D188 M189 S193 E255 P256	Y186-K191 HydrophobicContact CD1-CB 4.08Å; Y186-K191 HydrophobicContact CE1-CB 4.41Å; Y186-K191 VanDerWaalsContact CE1-O 3.26Å; Y186-K191 WeakPolarHBondContact CE1-O 3.42Å; D188-K191 HydrophobicContact CB-CD 4.09Å; D188-K191 HydrophobicContact CB-CG 4.46Å; D188-K191 PolarHBondContact O-N 3.19Å; D188-K191 WeakPolarHBondContact OD2-CD 3.27Å; D188-K191 VanDerWaalsContact OD2-CE 3.22Å; D188-K191 WeakPolarHBondContact OD2-CE 3.22Å; D188-K191 WeakPolarHBondContact OD2-CG 3.33Å; D188-K191 IonicContact OD2-NZ 3.99Å; M189-K191 VanDerWaalsContact C-N 3.27Å; M189-K191 PolarHBondContact O-N 3.05Å; K191-S193 PolarHBondContact O-N 3.44Å; K191-E255 IonicContact NZ-OE2 3.38Å; K191-E255 PolarHBondContact NZ-OE2 3.4Å; K191-P256 HydrophobicContact CD-CG 3.62Å
192	I	74.7	Confident	72.6	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.015	39%	0.385	C	S	.	.	S	Bend	trans	-87.8	84.2	175.9	-55.4	174.3	0	0	0	109.1	Y151 F154 F170 Y186 M189 N190 G194 I204	Y151-I192 HydrophobicContact CE2-CG2 4.38Å; Y151-I192 PolarHBondContact OH-O 2.77Å; F154-I192 HydrophobicContact CE1-CD1 3.73Å; F154-I192 HydrophobicContact CE1-CG2 4.16Å; F154-I192 HydrophobicContact CZ-CD1 3.48Å; F154-I192 VanDerWaalsContact CZ-CD1 3.48Å; F170-I192 HydrophobicContact CD2-CD1 4.42Å; Y186-I192 HydrophobicContact CD1-CG1 3.72Å; Y186-I192 HydrophobicContact CD2-CD1 4.45Å; Y186-I192 HydrophobicContact CD2-CG1 3.96Å; Y186-I192 HydrophobicContact CE1-CG1 4.35Å; Y186-I192 HydrophobicContact CG-CD1 4.11Å; Y186-I192 HydrophobicContact CG-CG1 3.49Å; Y186-I192 VanDerWaalsContact CG-CG1 3.49Å; M189-I192 WeakPolarHBondContact O-CB 3.37Å; M189-I192 PolarHBondContact O-N 3.12Å; M189-I192 VanDerWaalsContact O-N 3.1Å; N190-I192 VanDerWaalsContact C-N 3.26Å; I192-G194 PolarHBondContact O-N 2.6Å; I192-I204 HydrophobicContact CD1-CD1 4.35Å; I192-I204 HydrophobicContact CG2-CD1 3.39Å
193	S	64.1	Low	73.3	Confident	83 Å²	83	69.8 Å²	69.8	58%	0.58	37%	0.366	S	S	*	.			trans	-58.7	107.3	174.7	-58	0	0	0	0	111.1	K191 N195	K191-S193 PolarHBondContact O-N 3.44Å; S193-N195 PolarHBondContact O-N 3.09Å
194	G	60.2	Low	73.8	Confident	25 Å²	25	68.2 Å²	68.2	26%	0.258	36%	0.358	S	S	.	.			trans	-70.8	27.4	169.2	0	0	0	0	0	113.7	I192 I196	I192-G194 PolarHBondContact O-N 2.6Å; G194-I196 PolarHBondContact O-N 3.04Å; G194-I196 VanDerWaalsContact O-N 3.12Å
195	N	54.2	Low	74.3	Confident	103 Å²	103	61 Å²	61	55%	0.551	33%	0.331	S	S	*	.			trans	-66.3	110.8	-170.4	-82.7	0.2	0	0	0	110.9	S193 N197	S193-N195 PolarHBondContact O-N 3.09Å; N195-N197 PolarHBondContact O-N 2.76Å
196	I	53.9	Low	74.7	Confident	120 Å²	120	61.6 Å²	61.6	62%	0.615	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-61.1	-27	175.7	-62.5	160.8	0	0	0	111.1	P148 G194 D198 N199	P148-I196 HydrophobicContact CB-CG1 4.48Å; G194-I196 PolarHBondContact O-N 3.04Å; G194-I196 VanDerWaalsContact O-N 3.12Å; I196-D198 VanDerWaalsContact C-N 3.3Å; I196-D198 PolarHBondContact O-N 2.92Å; I196-N199 PolarHBondContact O-N 3.25Å
197	N	48.7	Very low	75.1	Confident	129 Å²	129	61.1 Å²	61.1	69%	0.69	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-58.2	-32	-167.7	-56.4	6.1	0	0	0	114.7	N195 N199	N195-N197 PolarHBondContact O-N 2.76Å; N197-N199 VanDerWaalsContact C-N 3.32Å; N197-N199 PolarHBondContact O-N 3.34Å
198	D	59.6	Low	75.8	Confident	117 Å²	117	61.2 Å²	61.2	63%	0.626	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-78.3	-13.4	-174	-70.5	2.8	0	0	0	113.3	I196 I200	I196-D198 VanDerWaalsContact C-N 3.3Å; I196-D198 PolarHBondContact O-N 2.92Å; D198-I200 PolarHBondContact O-N 3.01Å
199	N	65.5	Low	76.4	Confident	144 Å²	144	61.2 Å²	61.2	77%	0.77	33%	0.329	S	S	*	.			trans	54.8	-0.3	-174.4	-78	-56.3	0	0	0	116.7	I196 N197 I201	I196-N199 PolarHBondContact O-N 3.25Å; N197-N199 VanDerWaalsContact C-N 3.32Å; N197-N199 PolarHBondContact O-N 3.34Å; N199-I201 PolarHBondContact O-N 3.33Å
200	I	75.7	Confident	77.4	Confident	117 Å²	117	65.1 Å²	65.1	60%	0.6	35%	0.346	S	S	*	.			trans	-78.1	109.8	-179	-67.5	162.4	0	0	0	110.2	D198 S202	D198-I200 PolarHBondContact O-N 3.01Å; I200-S202 PolarHBondContact O-N 2.96Å
201	I	86.7	Confident	78.4	Confident	62 Å²	62	59.1 Å²	59.1	32%	0.318	32%	0.315	S	S	.	.			trans	-63.8	124.1	170.5	-52.2	177.7	0	0	0	108.8	D121 I146 A175 N199	D121-I201 HydrophobicContact CB-CG2 4.2Å; I146-I201 HydrophobicContact CG2-CG2 3.92Å; A175-I201 HydrophobicContact CB-CB 4.07Å; A175-I201 HydrophobicContact CB-CG2 3.89Å; A175-I201 WeakPolarHBondContact CB-O 3.49Å; A175-I201 PolarHBondContact N-O 3.48Å; N199-I201 PolarHBondContact O-N 3.33Å
202	S	89.7	Confident	79.4	Confident	10 Å²	10	55.1 Å²	55.1	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162.1	175.5	56.7	0	0	0	0	110	L147 Q172 K173 I200	L147-S202 PolarHBondContact N-O 3.4Å; L147-S202 PolarHBondContact O-N 3.28Å; Q172-S202 PolarHBondContact NE2-OG 2.93Å; K173-S202 CarbonylContact O-C 3.56Å; K173-S202 WeakPolarHBondContact O-CA 3.44Å; K173-S202 WeakPolarHBondContact O-CB 3.45Å; I200-S202 PolarHBondContact O-N 2.96Å
203	V	92.6	Very high	80.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.4	167.5	-60.3	0	0	0	0	109.3	K120 D121 T144 W145 I146 Q172 K173	K120-V203 HydrophobicContact CB-CG1 4.38Å; K120-V203 HydrophobicContact CB-CG2 3.94Å; D121-V203 HydrophobicContact CB-CG1 4.2Å; T144-V203 HydrophobicContact CG2-CB 3.84Å; T144-V203 HydrophobicContact CG2-CG1 4.42Å; T144-V203 HydrophobicContact CG2-CG2 4.19Å; W145-V203 CarbonylContact O-C 3.59Å; W145-V203 VanDerWaalsContact O-CA 3.25Å; W145-V203 WeakPolarHBondContact O-CA 3.48Å; I146-V203 HydrophobicContact CG1-CG1 4.26Å; Q172-V203 CarbonylContact C-O 3.49Å; Q172-V203 WeakPolarHBondContact CA-O 3.24Å; K173-V203 HydrophobicContact CB-CG2 3.94Å; K173-V203 PolarHBondContact N-O 3.39Å; K173-V203 PolarHBondContact O-N 3.44Å
204	I	92.8	Very high	81.8	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.2	162.7	-73.7	172.5	0	0	0	107.2	T144 W145 L147 F154 F170 Q172 I192	T144-I204 CarbonylContact C-O 3.55Å; T144-I204 VanDerWaalsContact CA-O 3.28Å; T144-I204 WeakPolarHBondContact CA-O 3.4Å; T144-I204 WeakPolarHBondContact CG2-O 3.41Å; W145-I204 HydrophobicContact CE3-CG2 4.38Å; W145-I204 PolarHBondContact N-O 3.33Å; W145-I204 PolarHBondContact O-N 2.8Å; L147-I204 HydrophobicContact CD1-CB 3.84Å; L147-I204 HydrophobicContact CD1-CD1 3.71Å; L147-I204 HydrophobicContact CD1-CG1 3.55Å; L147-I204 HydrophobicContact CD2-CD1 3.72Å; L147-I204 HydrophobicContact CD2-CG1 4.39Å; L147-I204 HydrophobicContact CG-CD1 4.37Å; F154-I204 HydrophobicContact CD1-CD1 4.25Å; F154-I204 HydrophobicContact CD2-CG2 3.96Å; F154-I204 HydrophobicContact CE1-CD1 4.01Å; F154-I204 HydrophobicContact CE2-CG2 3.63Å; F154-I204 HydrophobicContact CZ-CD1 4.25Å; F154-I204 HydrophobicContact CZ-CG2 4.06Å; F170-I204 HydrophobicContact CB-CG2 3.9Å; F170-I204 HydrophobicContact CD1-CG2 4.14Å; F170-I204 HydrophobicContact CG-CG2 4.22Å; Q172-I204 HydrophobicContact CB-CG1 4.05Å; Q172-I204 HydrophobicContact CG-CG1 3.98Å; I192-I204 HydrophobicContact CD1-CD1 4.35Å; I192-I204 HydrophobicContact CG2-CD1 3.39Å
205	Q	94.2	Very high	83.4	Confident	9 Å²	9	56.8 Å²	56.8	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.2	178	179	168.2	76.1	0	0	109.2	P142 N143 T144 F170 I171	P142-Q205 HydrophobicContact CB-CG 3.84Å; P142-Q205 HydrophobicContact CG-CG 4.36Å; N143-Q205 CarbonylContact O-C 3.45Å; N143-Q205 WeakPolarHBondContact O-CA 3.44Å; T144-Q205 HydrophobicContact CG2-CB 4.01Å; T144-Q205 VanDerWaalsContact OG1-CG 3.3Å; T144-Q205 WeakPolarHBondContact OG1-CG 3.49Å; T144-Q205 PolarHBondContact OG1-NE2 2.91Å; F170-Q205 WeakPolarHBondContact CA-O 3.39Å; I171-Q205 HydrophobicContact CG2-CB 3.92Å; I171-Q205 HydrophobicContact CG2-CG 4.4Å; I171-Q205 WeakPolarHBondContact CG2-O 3.46Å; I171-Q205 PolarHBondContact N-O 2.87Å; I171-Q205 PolarHBondContact O-N 2.61Å
206	E	93.9	Very high	85.2	Confident	40 Å²	40	53.2 Å²	53.2	19%	0.187	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.7	167.8	-72.5	177.4	146.1	0	0	111	P142 N143 W145 Y157 F170	P142-E206 HydrophobicContact CB-CB 4.14Å; N143-E206 HydrophobicContact CB-CG 4.15Å; N143-E206 VanDerWaalsContact CB-OE2 3.26Å; N143-E206 WeakPolarHBondContact CB-OE2 3.34Å; N143-E206 PolarHBondContact N-OE2 3.31Å; N143-E206 VanDerWaalsContact N-OE2 3.16Å; N143-E206 PolarHBondContact ND2-OE2 3.03Å; N143-E206 PolarHBondContact O-N 2.9Å; W145-E206 HydrophobicContact CH2-CG 4.04Å; W145-E206 HydrophobicContact CZ3-CG 4.11Å; Y157-E206 WeakPolarHBondContact CE1-OE1 3.21Å; Y157-E206 VanDerWaalsContact CZ-OE1 3.25Å; Y157-E206 PolarHBondContact OH-OE1 3.37Å; F170-E206 HydrophobicContact CD1-CG 4.32Å; F170-E206 HydrophobicContact CE1-CG 4.01Å
207	Y	93	Very high	87.1	Confident	16 Å²	16	50.4 Å²	50.4	6%	0.063	26%	0.263	C	S	.	.			trans	-85.4	131.4	174.6	-168.3	-114.5	0	0	0	110.3	C169 I171 L185 E209 K218 Y250 P253 Q264	C169-Y207 HydrophobicContact CB-CD1 4.14Å; C169-Y207 HydrophobicContact CB-CG 4.41Å; C169-Y207 VanDerWaalsContact O-CB 3.25Å; C169-Y207 WeakPolarHBondContact O-CB 3.46Å; C169-Y207 PolarHBondContact O-N 3.42Å; I171-Y207 HydrophobicContact CB-CD2 4.14Å; I171-Y207 HydrophobicContact CD1-CD2 4.23Å; I171-Y207 HydrophobicContact CD1-CE2 4.34Å; I171-Y207 HydrophobicContact CG2-CD2 4.3Å; L185-Y207 HydrophobicContact CD2-CD2 3.71Å; L185-Y207 HydrophobicContact CD2-CE2 3.92Å; L185-Y207 HydrophobicContact CD2-CG 4.09Å; Y207-E209 HydrophobicContact CD1-CG 4.43Å; Y207-E209 WeakPolarHBondContact O-CG 3.26Å; Y207-E209 PolarHBondContact O-N 3.25Å; Y207-E209 VanDerWaalsContact O-N 3.13Å; Y207-K218 PolarHBondContact OH-NZ 3.49Å; Y207-Y250 HydrophobicContact CE1-CE2 4.39Å; Y207-P253 HydrophobicContact CD1-CG 3.84Å; Y207-P253 HydrophobicContact CE1-CG 3.44Å; Y207-P253 VanDerWaalsContact CE1-CG 3.44Å; Y207-Q264 PolarHBondContact OH-O 2.95Å; Y207-Q264 PolarHBondContact OH-OE1 2.74Å
208	I	93.1	Very high	89.4	Confident	24 Å²	24	44.8 Å²	44.8	12%	0.123	23%	0.233	C	C	.	.			trans	-77.2	102.1	173.5	-67	162.5	0	0	0	107.7	P142 H210 L441 D443 W449 I451	P142-I208 HydrophobicContact CG-CD1 3.76Å; P142-I208 HydrophobicContact CG-CG1 4.12Å; I208-H210 VanDerWaalsContact C-N 3.34Å; I208-L441 HydrophobicContact CB-CD2 3.88Å; I208-L441 HydrophobicContact CD1-CD2 3.84Å; I208-L441 HydrophobicContact CD1-CG 4.39Å; I208-L441 HydrophobicContact CG1-CD2 4.44Å; I208-L441 HydrophobicContact CG2-CD2 4.13Å; I208-D443 HydrophobicContact CG2-CB 4.43Å; I208-W449 HydrophobicContact CD1-CB 3.54Å; I208-W449 HydrophobicContact CD1-CD2 3.95Å; I208-W449 HydrophobicContact CD1-CG 3.46Å; I208-W449 VanDerWaalsContact CD1-CG 3.46Å; I208-I451 HydrophobicContact CD1-CD1 4.24Å
209	E	89.8	Confident	91.1	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.192	20%	0.203	C	C	.	.	S	Bend	trans	-77.9	-17.7	-175.3	-52.7	-172.1	148.6	0	0	113.5	C169 Y207 P211 Y250 K252	C169-E209 HydrophobicContact CB-CG 4.49Å; C169-E209 WeakPolarHBondContact CB-OE1 3.22Å; C169-E209 PolarHBondContact N-OE1 2.92Å; Y207-E209 HydrophobicContact CD1-CG 4.43Å; Y207-E209 WeakPolarHBondContact O-CG 3.26Å; Y207-E209 PolarHBondContact O-N 3.25Å; Y207-E209 VanDerWaalsContact O-N 3.13Å; E209-P211 WeakPolarHBondContact O-CD 3.44Å; E209-Y250 PolarHBondContact O-OH 2.95Å; E209-K252 IonicContact OE1-NZ 2.68Å; E209-K252 PolarHBondContact OE1-NZ 3.27Å; E209-K252 WeakPolarHBondContact OE2-CE 3.3Å; E209-K252 IonicContact OE2-NZ 2.77Å; E209-K252 PolarHBondContact OE2-NZ 2.79Å
210	H	93.3	Very high	92.5	Very high	103 Å²	103	32.9 Å²	32.9	48%	0.477	17%	0.169	S	C	.	.	S	Bend	trans	-120.7	64.4	179.7	-66.3	-96.3	0	0	0	111.2	I208 D443 E444	I208-H210 VanDerWaalsContact C-N 3.34Å; H210-D443 WeakPolarHBondContact O-CA 3.41Å; H210-E444 HydrophobicContact CB-CB 4.28Å; H210-E444 IonicContact ND1-OE2 2.67Å; H210-E444 PolarHBondContact ND1-OE2 3.2Å; H210-E444 PolarHBondContact O-N 3.02Å
211	P	95.8	Very high	93.6	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.045	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-72.1	157.8	175.7	32.7	-35.4	0	0	0	111.4	E209 L213 K218 Y250 L441	E209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-L213 HydrophobicContact CG-CD2 3.95Å; P211-L213 PolarHBondContact O-N 3.46Å; P211-K218 HydrophobicContact CB-CG 4.09Å; P211-K218 HydrophobicContact CG-CD 4.28Å; P211-K218 HydrophobicContact CG-CG 4.01Å; P211-Y250 HydrophobicContact CG-CD1 4.2Å; P211-Y250 HydrophobicContact CG-CD2 4.28Å; P211-Y250 HydrophobicContact CG-CE1 3.87Å; P211-Y250 HydrophobicContact CG-CE2 3.95Å; P211-Y250 HydrophobicContact CG-CG 4.38Å; P211-L441 HydrophobicContact CB-CD1 3.95Å; P211-L441 HydrophobicContact CB-CD2 4.43Å; P211-L441 HydrophobicContact CB-CG 4.48Å
212	L	96.2	Very high	94.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-59	119.5	164.6	177.1	60.9	0	0	0	109.5	C219 F294 Y297 I298 K302 I442 L446	L212-C219 PolarHBondContact O-SG 2.79Å; L212-C219 VanDerWaalsContact O-SG 3.37Å; L212-F294 HydrophobicContact CD2-CE2 3.85Å; L212-F294 HydrophobicContact CD2-CZ 4.37Å; L212-Y297 HydrophobicContact CD1-CE1 4.46Å; L212-I298 HydrophobicContact CD2-CD1 4.01Å; L212-K302 HydrophobicContact CD1-CD 4.45Å; L212-K302 HydrophobicContact CD1-CG 4.46Å; L212-I442 HydrophobicContact CB-CB 3.93Å; L212-I442 HydrophobicContact CB-CG2 4.11Å; L212-I442 WeakPolarHBondContact CB-O 3.45Å; L212-I442 HydrophobicContact CD2-CB 3.91Å; L212-I442 HydrophobicContact CD2-CG1 4.45Å; L212-I442 HydrophobicContact CD2-CG2 3.87Å; L212-I442 PolarHBondContact N-O 3.42Å; L212-L446 HydrophobicContact CD1-CD2 4.15Å; L212-L446 HydrophobicContact CD2-CD2 4.36Å
213	L	95.7	Very high	94.5	Very high	58 Å²	58	25.1 Å²	25.1	30%	0.304	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.8	174.2	-56.2	-173.9	0	0	0	110.8	P211 Y217 K218 Y250 Y297	P211-L213 HydrophobicContact CG-CD2 3.95Å; P211-L213 PolarHBondContact O-N 3.46Å; L213-Y217 WeakPolarHBondContact CA-O 3.14Å; L213-K218 HydrophobicContact CD2-CB 4.34Å; L213-Y250 HydrophobicContact CD1-CD1 4.17Å; L213-Y250 VanDerWaalsContact CD2-CB 3.47Å; L213-Y250 HydrophobicContact CD2-CD1 3.84Å; L213-Y250 HydrophobicContact CD2-CG 3.73Å; L213-Y297 PolarHBondContact O-OH 2.93Å
214	I	94.1	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	171.6	-63	178.6	0	0	0	106.5	G216 Y217 C219 V243 L245 F293 F294 Y297	I214-G216 PolarHBondContact O-N 2.99Å; I214-Y217 PolarHBondContact N-O 3.36Å; I214-Y217 WeakPolarHBondContact O-CB 3.41Å; I214-Y217 PolarHBondContact O-N 2.62Å; I214-C219 HydrophobicContact CD1-CB 4.1Å; I214-C219 VanDerWaalsContact CD1-SG 3.58Å; I214-C219 HydrophobicContact CG1-CB 4.46Å; I214-V243 HydrophobicContact CD1-CG1 4.3Å; I214-L245 HydrophobicContact CB-CD2 3.83Å; I214-L245 HydrophobicContact CG2-CD2 3.99Å; I214-F293 HydrophobicContact CG2-CE1 4.16Å; I214-F293 HydrophobicContact CG2-CZ 4.39Å; I214-F294 HydrophobicContact CD1-CD2 4.45Å; I214-Y297 HydrophobicContact CD1-CD1 4.28Å; I214-Y297 HydrophobicContact CD1-CE1 4.45Å; I214-Y297 HydrophobicContact CG1-CD1 4.15Å; I214-Y297 HydrophobicContact CG1-CE1 3.85Å; I214-Y297 HydrophobicContact CG1-CE2 4.35Å; I214-Y297 HydrophobicContact CG2-CD2 4.24Å; I214-Y297 HydrophobicContact CG2-CE2 4.06Å
215	D	92	Very high	95.1	Very high	88 Å²	88	25 Å²	25	47%	0.471	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	19.8	-176	-45.4	-32.5	0	0	0	114.9	Y217 R289	D215-Y217 HydrophobicContact CB-CD2 4.06Å; D215-Y217 HydrophobicContact CB-CE2 4.37Å; D215-Y217 WeakPolarHBondContact O-CD2 3.36Å; D215-Y217 WeakPolarHBondContact O-CE2 3.46Å; D215-R289 IonicContact OD2-CZ 2.66Å; D215-R289 IonicContact OD2-NH1 2.92Å; D215-R289 PolarHBondContact OD2-NH1 3.05Å; D215-R289 IonicContact OD2-NH2 3.11Å; D215-R289 PolarHBondContact OD2-NH2 3.22Å
216	G	93	Very high	95.3	Very high	28 Å²	28	24.6 Å²	24.6	29%	0.289	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-3.7	-174.3	0	0	0	0	0	114.7	I214 K249 Y250	I214-G216 PolarHBondContact O-N 2.99Å; G216-K249 WeakPolarHBondContact O-CA 3.3Å; G216-Y250 PolarHBondContact O-N 3.07Å
217	Y	94.4	Very high	95.4	Very high	61 Å²	61	22.7 Å²	22.7	24%	0.239	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145.3	177.3	-58.5	-93.7	0	0	0	110.3	L213 I214 D215 S246 A247 E248 K249	L213-Y217 WeakPolarHBondContact CA-O 3.14Å; I214-Y217 PolarHBondContact N-O 3.36Å; I214-Y217 WeakPolarHBondContact O-CB 3.41Å; I214-Y217 PolarHBondContact O-N 2.62Å; D215-Y217 HydrophobicContact CB-CD2 4.06Å; D215-Y217 HydrophobicContact CB-CE2 4.37Å; D215-Y217 WeakPolarHBondContact O-CD2 3.36Å; D215-Y217 WeakPolarHBondContact O-CE2 3.46Å; Y217-S246 VanDerWaalsContact CD1-O 3.27Å; Y217-S246 WeakPolarHBondContact CD1-O 3.38Å; Y217-A247 WeakPolarHBondContact CE1-O 3.32Å; Y217-E248 VanDerWaalsContact CD1-O 3.28Å; Y217-E248 WeakPolarHBondContact CD1-O 3.4Å; Y217-K249 HydrophobicContact CD1-CG 4.23Å; Y217-K249 HydrophobicContact CD2-CG 4.35Å; Y217-K249 HydrophobicContact CE1-CG 3.83Å; Y217-K249 HydrophobicContact CE2-CG 3.94Å; Y217-K249 HydrophobicContact CG-CG 4.46Å
218	K	95.4	Very high	95.5	Very high	11 Å²	11	22.8 Å²	22.8	5%	0.048	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.7	172.4	179.1	-179.1	179.1	-177.1	0	108.5	Y207 P211 L213 L245 S246 Y250 Q264 T266	Y207-K218 PolarHBondContact OH-NZ 3.49Å; P211-K218 HydrophobicContact CB-CG 4.09Å; P211-K218 HydrophobicContact CG-CD 4.28Å; P211-K218 HydrophobicContact CG-CG 4.01Å; L213-K218 HydrophobicContact CD2-CB 4.34Å; K218-L245 CarbonylContact O-C 3.51Å; K218-L245 WeakPolarHBondContact O-CA 3.38Å; K218-S246 PolarHBondContact N-OG 3.07Å; K218-S246 PolarHBondContact O-N 3.43Å; K218-S246 PolarHBondContact O-OG 3.13Å; K218-Y250 HydrophobicContact CB-CD2 3.85Å; K218-Y250 HydrophobicContact CB-CG 4.32Å; K218-Y250 HydrophobicContact CD-CD2 3.98Å; K218-Y250 HydrophobicContact CD-CE2 3.98Å; K218-Y250 HydrophobicContact CG-CD2 4.34Å; K218-Q264 PolarHBondContact NZ-O 2.99Å; K218-T266 HydrophobicContact CB-CG2 4.43Å; K218-T266 HydrophobicContact CD-CG2 4.35Å; K218-T266 HydrophobicContact CG-CG2 4Å; K218-T266 WeakPolarHBondContact O-CG2 3.37Å
219	C	95.2	Very high	95.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152	175.1	67.4	0	0	0	0	112.9	L212 I214 V243 R244 L245 L441	L212-C219 PolarHBondContact O-SG 2.79Å; L212-C219 VanDerWaalsContact O-SG 3.37Å; I214-C219 HydrophobicContact CD1-CB 4.1Å; I214-C219 VanDerWaalsContact CD1-SG 3.58Å; I214-C219 HydrophobicContact CG1-CB 4.46Å; C219-V243 HydrophobicContact CB-CG1 3.9Å; C219-R244 CarbonylContact C-O 3.56Å; C219-R244 VanDerWaalsContact CA-O 3.27Å; C219-R244 WeakPolarHBondContact CA-O 3.05Å; C219-L245 HydrophobicContact CB-CD2 4.32Å; C219-L245 HydrophobicContact CB-CG 4.22Å; C219-L441 WeakPolarHBondContact O-CD1 3.45Å
220	D	96.9	Very high	95.6	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.053	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	170.3	160.9	78.7	35.1	0	0	0	110.9	V243 R244 T266	D220-V243 WeakPolarHBondContact O-CA 3.13Å; D220-R244 PolarHBondContact N-O 3.43Å; D220-R244 PolarHBondContact O-N 3.07Å; D220-R244 IonicContact OD1-CZ 3.8Å; D220-R244 IonicContact OD1-NE 3.89Å; D220-R244 PolarHBondContact OD1-NE 3.34Å; D220-R244 IonicContact OD1-NH2 2.87Å; D220-R244 PolarHBondContact OD1-NH2 3.28Å; D220-R244 IonicContact OD2-CZ 3.29Å; D220-R244 IonicContact OD2-NE 2.75Å; D220-R244 IonicContact OD2-NH2 3.02Å; D220-R244 PolarHBondContact OD2-NH2 2.86Å; D220-R244 VanDerWaalsContact OD2-NH2 3.14Å; D220-T266 HydrophobicContact CB-CG2 4.43Å; D220-T266 WeakPolarHBondContact OD2-CB 3.45Å; D220-T266 PolarHBondContact OD2-OG1 3.23Å
221	L	97.7	Very high	95.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	174.1	-53.3	-179.2	0	0	0	110.2	V223 V243 F291 F294 I313 I440 I442	L221-V223 HydrophobicContact CB-CG2 4.22Å; L221-V243 HydrophobicContact CD2-CB 4.44Å; L221-V243 HydrophobicContact CD2-CG1 4.43Å; L221-V243 HydrophobicContact CD2-CG2 3.84Å; L221-F291 HydrophobicContact CB-CE1 4.34Å; L221-F291 HydrophobicContact CD2-CE1 4.26Å; L221-F294 HydrophobicContact CD1-CE1 4.08Å; L221-F294 HydrophobicContact CD1-CE2 4.49Å; L221-F294 HydrophobicContact CD1-CZ 4.06Å; L221-F294 HydrophobicContact CD2-CD2 3.92Å; L221-F294 HydrophobicContact CD2-CE2 4.04Å; L221-F294 HydrophobicContact CD2-CG 4.16Å; L221-F294 HydrophobicContact CD2-CZ 4.39Å; L221-I313 HydrophobicContact CD1-CD1 3.96Å; L221-I440 PolarHBondContact N-O 3.12Å; L221-I440 PolarHBondContact O-N 2.72Å; L221-I442 HydrophobicContact CD1-CD1 3.92Å; L221-I442 HydrophobicContact CD1-CG1 3.97Å; L221-I442 HydrophobicContact CG-CG1 4.35Å
222	R	97.6	Very high	95.1	Very high	25 Å²	25	17.6 Å²	17.6	9%	0.094	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	100	161.7	170.9	54.5	61.1	67.1	-5.5	109	Y224 L242 R244 F291 F438 D439 N454	R222-Y224 HydrophobicContact CG-CE2 4.28Å; R222-L242 HydrophobicContact CB-CB 4.2Å; R222-L242 PolarHBondContact N-O 2.72Å; R222-L242 PolarHBondContact O-N 2.79Å; R222-R244 VanDerWaalsContact NH2-NH1 3.17Å; R222-F291 WeakPolarHBondContact O-CZ 3.18Å; R222-F438 WeakPolarHBondContact CA-O 3.4Å; R222-D439 IonicContact CZ-OD1 3.65Å; R222-D439 IonicContact CZ-OD2 2.7Å; R222-D439 IonicContact NE-OD1 2.76Å; R222-D439 PolarHBondContact NE-OD1 3.02Å; R222-D439 IonicContact NE-OD2 2.74Å; R222-D439 IonicContact NH2-OD1 3.66Å; R222-D439 PolarHBondContact NH2-OD1 3.26Å; R222-D439 IonicContact NH2-OD2 2.69Å; R222-D439 PolarHBondContact NH2-OD2 3.17Å; R222-N454 PolarHBondContact NH2-ND2 3.33Å; R222-N454 VanDerWaalsContact NH2-ND2 3.16Å
223	V	98.2	Very high	95.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.4	176.8	178.6	0	0	0	0	109.8	L221 V225 I237 F291 W310 I313 I317 G437 F438 I440	L221-V223 HydrophobicContact CB-CG2 4.22Å; V223-V225 HydrophobicContact CG1-CG2 4.1Å; V223-I237 HydrophobicContact CG1-CD1 3.57Å; V223-I237 HydrophobicContact CG1-CG1 3.6Å; V223-F291 HydrophobicContact CB-CZ 4.35Å; V223-F291 HydrophobicContact CG2-CE2 4.22Å; V223-F291 HydrophobicContact CG2-CZ 3.74Å; V223-W310 HydrophobicContact CG2-CH2 4.36Å; V223-W310 HydrophobicContact CG2-CZ3 4.17Å; V223-I313 HydrophobicContact CG2-CG2 4.5Å; V223-I317 HydrophobicContact CG1-CD1 3.91Å; V223-G437 CarbonylContact O-C 3.3Å; V223-G437 WeakPolarHBondContact O-CA 3.24Å; V223-F438 HydrophobicContact CB-CB 4.23Å; V223-F438 PolarHBondContact N-O 3.35Å; V223-F438 PolarHBondContact O-N 3.13Å; V223-I440 HydrophobicContact CG2-CD1 4.15Å
224	Y	98.4	Very high	95	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.4	174.6	-65.2	-79.6	0	0	0	111	R222 Y238 I435 L436 P457 I469 K470 L473	R222-Y224 HydrophobicContact CG-CE2 4.28Å; Y224-Y238 PolarHBondContact O-N 3.34Å; Y224-I435 HydrophobicContact CD1-CG2 4.35Å; Y224-L436 WeakPolarHBondContact CA-O 3.29Å; Y224-P457 HydrophobicContact CD1-CG 4.38Å; Y224-P457 HydrophobicContact CE1-CB 4.03Å; Y224-P457 HydrophobicContact CE1-CG 4.25Å; Y224-I469 HydrophobicContact CE2-CG2 4.13Å; Y224-K470 WeakPolarHBondContact OH-CE 3.33Å; Y224-L473 HydrophobicContact CD1-CD2 3.62Å; Y224-L473 HydrophobicContact CD2-CD2 4.19Å; Y224-L473 HydrophobicContact CE1-CD2 3.85Å; Y224-L473 HydrophobicContact CE2-CD2 4.41Å; Y224-L473 HydrophobicContact CG-CD1 4.06Å; Y224-L473 HydrophobicContact CG-CD2 3.79Å
225	V	98.6	Very high	95.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127	-176.6	179.9	0	0	0	0	109.5	V223 I235 F236 I317 L321 I435 L436 F438	V223-V225 HydrophobicContact CG1-CG2 4.1Å; V225-I235 HydrophobicContact CG1-CG2 3.57Å; V225-F236 CarbonylContact C-O 3.56Å; V225-F236 WeakPolarHBondContact CA-O 3.27Å; V225-I317 HydrophobicContact CB-CG2 4.48Å; V225-I317 HydrophobicContact CG1-CG2 3.8Å; V225-I317 HydrophobicContact CG2-CD1 3.83Å; V225-I317 HydrophobicContact CG2-CG1 4.28Å; V225-I317 HydrophobicContact CG2-CG2 3.84Å; V225-L321 HydrophobicContact CG1-CD1 4.11Å; V225-I435 CarbonylContact O-C 3.03Å; V225-I435 WeakPolarHBondContact O-CA 3.45Å; V225-L436 HydrophobicContact CB-CB 4.44Å; V225-L436 PolarHBondContact N-O 2.78Å; V225-L436 PolarHBondContact O-N 3.23Å; V225-F438 HydrophobicContact CB-CD2 3.91Å; V225-F438 HydrophobicContact CB-CE2 3.88Å; V225-F438 HydrophobicContact CG1-CE2 4.16Å; V225-F438 HydrophobicContact CG2-CD2 3.48Å; V225-F438 VanDerWaalsContact CG2-CD2 3.48Å; V225-F438 HydrophobicContact CG2-CE2 3.78Å; V225-F438 HydrophobicContact CG2-CG 4.27Å
226	L	98.1	Very high	95.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	178.1	169	63.8	0	0	0	110.4	T228 F236 F433 E434 I435 T477 L480 W616	L226-T228 HydrophobicContact CD1-CG2 4.29Å; L226-T228 HydrophobicContact CD2-CG2 3.89Å; L226-T228 HydrophobicContact CG-CG2 3.79Å; L226-F236 HydrophobicContact CB-CB 4.41Å; L226-F236 PolarHBondContact N-O 2.68Å; L226-F236 PolarHBondContact O-N 2.79Å; L226-F433 HydrophobicContact CD1-CB 4.29Å; L226-F433 HydrophobicContact CD1-CD2 4Å; L226-E434 WeakPolarHBondContact CA-O 3.34Å; L226-I435 HydrophobicContact CD1-CG1 4.14Å; L226-T477 HydrophobicContact CD1-CG2 4.14Å; L226-T477 HydrophobicContact CD2-CG2 3.96Å; L226-L480 HydrophobicContact CD2-CD2 3.83Å; L226-W616 HydrophobicContact CB-CD2 4.06Å; L226-W616 HydrophobicContact CB-CE3 3.77Å; L226-W616 HydrophobicContact CB-CH2 3.33Å; L226-W616 HydrophobicContact CB-CZ2 3.6Å; L226-W616 HydrophobicContact CB-CZ3 3.41Å; L226-W616 VanDerWaalsContact CB-CZ3 3.41Å; L226-W616 HydrophobicContact CD2-CD2 4Å; L226-W616 HydrophobicContact CD2-CG 4.4Å; L226-W616 HydrophobicContact CD2-CZ2 3.96Å; L226-W616 HydrophobicContact CG-CZ2 4.38Å; L226-W616 VanDerWaalsContact N-CZ3 3.32Å
227	V	97.3	Very high	95.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115	167.4	-176.8	0	0	0	0	107.7	F111 M114 S229 L233 K234 L321 F433 E434 L436	F111-V227 HydrophobicContact CD2-CG1 4.35Å; F111-V227 HydrophobicContact CE2-CB 3.94Å; F111-V227 HydrophobicContact CE2-CG1 3.6Å; F111-V227 HydrophobicContact CZ-CG1 4.02Å; M114-V227 HydrophobicContact CE-CG2 4.37Å; V227-S229 WeakPolarHBondContact CG1-O 3.35Å; V227-L233 HydrophobicContact CG1-CD1 4.18Å; V227-K234 WeakPolarHBondContact CA-O 3.45Å; V227-L321 HydrophobicContact CG2-CD1 3.95Å; V227-L321 HydrophobicContact CG2-CD2 3.95Å; V227-F433 CarbonylContact O-C 3.54Å; V227-F433 WeakPolarHBondContact O-CA 3.39Å; V227-E434 PolarHBondContact N-O 3.24Å; V227-E434 PolarHBondContact O-N 3.08Å; V227-L436 HydrophobicContact CG2-CD1 4.46Å
228	T	94.4	Very high	95.8	Very high	18 Å²	18	7.3 Å²	7.3	11%	0.11	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-14.4	178.1	65.4	0	0	0	0	113.3	L226 K234 F236 S430 L480	L226-T228 HydrophobicContact CD1-CG2 4.29Å; L226-T228 HydrophobicContact CD2-CG2 3.89Å; L226-T228 HydrophobicContact CG-CG2 3.79Å; T228-K234 PolarHBondContact N-O 3.21Å; T228-K234 WeakPolarHBondContact OG1-CB 3.29Å; T228-F236 HydrophobicContact CG2-CD2 3.89Å; T228-F236 HydrophobicContact CG2-CE2 3.69Å; T228-S430 VanDerWaalsContact O-CB 3.22Å; T228-S430 WeakPolarHBondContact O-CB 3.34Å; T228-L480 HydrophobicContact CG2-CD2 4.19Å
229	S	92.9	Very high	95.8	Very high	14 Å²	14	10.9 Å²	10.9	10%	0.098	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	148	179.1	178.1	0	0	0	0	109.6	V227 D231 P232 L233 K234	V227-S229 WeakPolarHBondContact CG1-O 3.35Å; S229-D231 PolarHBondContact OG-N 2.77Å; S229-P232 CarbonylContact C-O 3.49Å; S229-P232 WeakPolarHBondContact CB-O 3.29Å; S229-P232 PolarHBondContact OG-O 3.16Å; S229-L233 WeakPolarHBondContact O-CA 3.08Å; S229-K234 PolarHBondContact O-N 2.82Å
230	C	93	Very high	95.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-13	167.3	59.1	0	0	0	0	113.3	F111 P232 L233 L325 L328 I329	F111-C230 HydrophobicContact CD1-CB 4.41Å; F111-C230 HydrophobicContact CE1-CB 4.1Å; F111-C230 VanDerWaalsContact CE1-SG 3.57Å; C230-P232 CarbonylContact C-O 3.58Å; C230-P232 CarbonylContact O-C 3.51Å; C230-L233 PolarHBondContact O-N 2.8Å; C230-L325 HydrophobicContact CB-CD1 4.38Å; C230-L325 WeakPolarHBondContact O-CD1 3.38Å; C230-L328 HydrophobicContact CB-CB 4.06Å; C230-I329 HydrophobicContact CB-CG1 4.49Å; C230-I329 WeakPolarHBondContact O-CD1 3.2Å; C230-I329 WeakPolarHBondContact O-CG1 3.35Å
231	D	88.7	Confident	95.7	Very high	30 Å²	30	12.2 Å²	12.2	16%	0.16	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	80.3	-171.9	-164.7	9.5	0	0	0	111.1	S229 I329 Y332 R333	S229-D231 PolarHBondContact OG-N 2.77Å; D231-I329 HydrophobicContact CB-CG1 4.35Å; D231-Y332 HydrophobicContact CB-CD1 4.21Å; D231-Y332 HydrophobicContact CB-CE1 4.16Å; D231-R333 VanDerWaalsContact CG-NH2 3.33Å; D231-R333 IonicContact OD1-CZ 3.93Å; D231-R333 IonicContact OD1-NE 3.22Å; D231-R333 IonicContact OD1-NH2 3.15Å; D231-R333 PolarHBondContact OD1-NH2 2.97Å; D231-R333 IonicContact OD2-CZ 2.73Å; D231-R333 VanDerWaalsContact OD2-CZ 3.29Å; D231-R333 IonicContact OD2-NE 2.98Å; D231-R333 PolarHBondContact OD2-NE 2.84Å; D231-R333 IonicContact OD2-NH2 2.76Å; D231-R333 PolarHBondContact OD2-NH2 3.36Å
232	P	89.5	Confident	95.6	Very high	21 Å²	21	12.4 Å²	12.4	14%	0.136	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	cis	-75.8	161.2	-2.4	33.6	-36.4	0	0	0	112.7	S229 C230 T657 Y658	S229-P232 CarbonylContact C-O 3.49Å; S229-P232 WeakPolarHBondContact CB-O 3.29Å; S229-P232 PolarHBondContact OG-O 3.16Å; C230-P232 CarbonylContact C-O 3.58Å; C230-P232 CarbonylContact O-C 3.51Å; P232-T657 HydrophobicContact CB-CG2 3.86Å; P232-Y658 HydrophobicContact CB-CE1 4.37Å
233	L	95	Very high	95.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131	178.7	178.9	61.4	0	0	0	111.5	V227 S229 C230 I235 L325 F620 Y658	V227-L233 HydrophobicContact CG1-CD1 4.18Å; S229-L233 WeakPolarHBondContact O-CA 3.08Å; C230-L233 PolarHBondContact O-N 2.8Å; L233-I235 HydrophobicContact CD1-CD1 4.3Å; L233-I235 HydrophobicContact CD1-CG1 3.9Å; L233-I235 HydrophobicContact CD2-CD1 4Å; L233-I235 HydrophobicContact CD2-CG1 4.4Å; L233-I235 HydrophobicContact CG-CD1 4.14Å; L233-I235 HydrophobicContact CG-CG1 3.99Å; L233-L325 HydrophobicContact CB-CD1 3.94Å; L233-L325 HydrophobicContact CB-CD2 4.43Å; L233-L325 HydrophobicContact CD1-CD1 4.33Å; L233-L325 HydrophobicContact CD2-CD1 4.12Å; L233-L325 HydrophobicContact CD2-CD2 4.03Å; L233-L325 HydrophobicContact CG-CD1 4.36Å; L233-F620 HydrophobicContact CB-CD1 4.2Å; L233-F620 HydrophobicContact CB-CE1 3.92Å; L233-F620 HydrophobicContact CD2-CD1 4.18Å; L233-F620 HydrophobicContact CD2-CE1 4.14Å; L233-F620 HydrophobicContact CG-CD1 3.92Å; L233-F620 HydrophobicContact CG-CE1 4.06Å; L233-F620 VanDerWaalsContact O-CD1 3.32Å; L233-F620 WeakPolarHBondContact O-CD1 3.26Å; L233-F620 WeakPolarHBondContact O-CE1 3.28Å; L233-Y658 HydrophobicContact CB-CE1 4.37Å; L233-Y658 WeakPolarHBondContact CB-OH 3.34Å; L233-Y658 PolarHBondContact N-OH 3.41Å
234	K	95	Very high	95.4	Very high	12 Å²	12	11.9 Å²	11.9	5%	0.052	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.9	172.7	-68	-171.1	177.8	-169.4	0	110.1	V227 T228 S229 F236 E606 E609 F620	V227-K234 WeakPolarHBondContact CA-O 3.45Å; T228-K234 PolarHBondContact N-O 3.21Å; T228-K234 WeakPolarHBondContact OG1-CB 3.29Å; S229-K234 PolarHBondContact O-N 2.82Å; K234-F236 HydrophobicContact CB-CE2 4.33Å; K234-E606 WeakPolarHBondContact CE-OE1 3.37Å; K234-E606 IonicContact NZ-OE1 3.17Å; K234-E606 PolarHBondContact NZ-OE1 3.13Å; K234-E609 IonicContact NZ-OE1 2.68Å; K234-E609 PolarHBondContact NZ-OE1 3.46Å; K234-E609 IonicContact NZ-OE2 2.75Å; K234-E609 PolarHBondContact NZ-OE2 3.4Å; K234-F620 WeakPolarHBondContact CA-O 3.42Å
235	I	97.7	Very high	95.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.5	-176.2	-48.4	170	0	0	0	109.8	V225 L233 I317 I318 L321 I619 F620	V225-I235 HydrophobicContact CG1-CG2 3.57Å; L233-I235 HydrophobicContact CD1-CD1 4.3Å; L233-I235 HydrophobicContact CD1-CG1 3.9Å; L233-I235 HydrophobicContact CD2-CD1 4Å; L233-I235 HydrophobicContact CD2-CG1 4.4Å; L233-I235 HydrophobicContact CG-CD1 4.14Å; L233-I235 HydrophobicContact CG-CG1 3.99Å; I235-I317 HydrophobicContact CG2-CG2 4.25Å; I235-I318 HydrophobicContact CD1-CB 4.48Å; I235-I318 HydrophobicContact CD1-CG1 4.12Å; I235-L321 HydrophobicContact CD1-CB 3.85Å; I235-L321 HydrophobicContact CD1-CD1 3.6Å; I235-L321 HydrophobicContact CD1-CG 4.36Å; I235-L321 HydrophobicContact CG1-CD1 3.89Å; I235-L321 HydrophobicContact CG2-CD1 3.79Å; I235-I619 HydrophobicContact CB-CG1 4.04Å; I235-I619 HydrophobicContact CG2-CD1 3.89Å; I235-I619 HydrophobicContact CG2-CG1 3.83Å; I235-I619 PolarHBondContact O-N 3Å; I235-F620 HydrophobicContact CB-CB 3.94Å; I235-F620 HydrophobicContact CD1-CB 3.85Å; I235-F620 HydrophobicContact CD1-CG 4.33Å; I235-F620 HydrophobicContact CG1-CB 3.96Å; I235-F620 PolarHBondContact N-O 3.15Å; I235-F620 PolarHBondContact O-N 2.95Å
236	F	97.6	Very high	95	Very high	2 Å²	2	12 Å²	12	1%	0.009	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.6	171.4	-59.4	-108.6	0	0	0	109.6	V225 L226 T228 K234 L480 E609 C613 W616 H617 R618	V225-F236 CarbonylContact C-O 3.56Å; V225-F236 WeakPolarHBondContact CA-O 3.27Å; L226-F236 HydrophobicContact CB-CB 4.41Å; L226-F236 PolarHBondContact N-O 2.68Å; L226-F236 PolarHBondContact O-N 2.79Å; T228-F236 HydrophobicContact CG2-CD2 3.89Å; T228-F236 HydrophobicContact CG2-CE2 3.69Å; K234-F236 HydrophobicContact CB-CE2 4.33Å; F236-L480 HydrophobicContact CD1-CD2 4.29Å; F236-L480 HydrophobicContact CE1-CD2 4.14Å; F236-L480 HydrophobicContact CE2-CD2 4.45Å; F236-L480 HydrophobicContact CZ-CD2 4.22Å; F236-E609 HydrophobicContact CZ-CB 4.35Å; F236-C613 HydrophobicContact CE1-CB 4.46Å; F236-W616 HydrophobicContact CB-CB 4.15Å; F236-W616 HydrophobicContact CB-CD2 4.29Å; F236-W616 HydrophobicContact CB-CE3 3.74Å; F236-W616 HydrophobicContact CD1-CB 4.08Å; F236-W616 HydrophobicContact CG-CB 4.47Å; F236-H617 CarbonylContact C-O 3.58Å; F236-H617 WeakPolarHBondContact CA-O 3.26Å; F236-R618 HydrophobicContact CD1-CB 3.76Å; F236-R618 HydrophobicContact CD1-CG 4.3Å; F236-R618 HydrophobicContact CE1-CB 3.71Å; F236-R618 HydrophobicContact CE1-CG 4.1Å; F236-R618 HydrophobicContact CG-CB 4.43Å; F236-R618 HydrophobicContact CZ-CB 4.32Å; F236-R618 HydrophobicContact CZ-CG 4.22Å
237	I	97.8	Very high	94.7	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.015	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.1	165.7	-163.5	-177	0	0	0	108.6	V223 W310 I313 Y314 I317 W616 H617 I619	V223-I237 HydrophobicContact CG1-CD1 3.57Å; V223-I237 HydrophobicContact CG1-CG1 3.6Å; I237-W310 HydrophobicContact CD1-CE3 4.21Å; I237-W310 HydrophobicContact CD1-CZ3 3.99Å; I237-I313 HydrophobicContact CD1-CG2 4.46Å; I237-Y314 HydrophobicContact CD1-CD1 3.82Å; I237-Y314 HydrophobicContact CD1-CE1 3.58Å; I237-Y314 HydrophobicContact CG2-CD1 4.44Å; I237-Y314 HydrophobicContact CG2-CE1 3.99Å; I237-I317 HydrophobicContact CD1-CD1 4.05Å; I237-I317 HydrophobicContact CG1-CD1 4.45Å; I237-W616 VanDerWaalsContact C-CE3 3.42Å; I237-H617 HydrophobicContact CG2-CB 4.09Å; I237-H617 PolarHBondContact N-O 2.99Å; I237-H617 PolarHBondContact O-N 2.75Å; I237-I619 HydrophobicContact CB-CD1 4.45Å; I237-I619 HydrophobicContact CB-CG2 4.31Å; I237-I619 HydrophobicContact CG2-CG2 3.73Å
238	Y	97.9	Very high	94.4	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.012	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.8	170.8	-158.7	-119.9	0	0	0	109.5	Y224 E240 I469 N472 L473 N615 W616	Y224-Y238 PolarHBondContact O-N 3.34Å; Y238-E240 HydrophobicContact CD1-CB 4.12Å; Y238-E240 VanDerWaalsContact CD1-O 3.32Å; Y238-E240 WeakPolarHBondContact CD1-O 3.28Å; Y238-E240 HydrophobicContact CE1-CB 4.03Å; Y238-E240 PolarHBondContact O-N 3.18Å; Y238-E240 VanDerWaalsContact O-N 3.08Å; Y238-I469 HydrophobicContact CE1-CG2 4.35Å; Y238-N472 VanDerWaalsContact OH-C 3.24Å; Y238-N472 WeakPolarHBondContact OH-CB 3.48Å; Y238-L473 HydrophobicContact CD1-CB 4.31Å; Y238-L473 HydrophobicContact CD1-CD1 3.61Å; Y238-L473 HydrophobicContact CD2-CD1 3.68Å; Y238-L473 HydrophobicContact CE1-CB 3.96Å; Y238-L473 HydrophobicContact CE1-CD1 4.1Å; Y238-L473 HydrophobicContact CE2-CB 4.37Å; Y238-L473 HydrophobicContact CE2-CD1 4.15Å; Y238-L473 HydrophobicContact CG-CD1 3.41Å; Y238-L473 VanDerWaalsContact CG-CD1 3.41Å; Y238-L473 PolarHBondContact OH-N 2.82Å; Y238-L473 VanDerWaalsContact OH-N 3.17Å; Y238-N615 HydrophobicContact CD2-CB 4.12Å; Y238-N615 HydrophobicContact CE2-CB 3.37Å; Y238-W616 AromaticContact CD2-CD2 3.73Å; Y238-W616 HydrophobicContact CD2-CD2 3.73Å; Y238-W616 AromaticContact CD2-CE2 3.81Å; Y238-W616 HydrophobicContact CD2-CE3 4.05Å; Y238-W616 HydrophobicContact CD2-CG 4.07Å; Y238-W616 HydrophobicContact CD2-CH2 4.45Å; Y238-W616 HydrophobicContact CD2-CZ2 4.2Å; Y238-W616 HydrophobicContact CD2-CZ3 4.39Å; Y238-W616 HydrophobicContact CG-CE3 4.47Å; Y238-W616 HydrophobicContact CG-CZ3 4.45Å
239	N	95.1	Very high	94.3	Very high	86 Å²	86	18.1 Å²	18.1	46%	0.46	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-3.3	-177	-69.3	-8.5	0	0	0	114.2	N615 H617	N239-N615 PolarHBondContact N-O 2.81Å; N239-H617 VanDerWaalsContact OD1-CB 3.23Å; N239-H617 WeakPolarHBondContact OD1-CB 3.39Å
240	E	94.4	Very high	94.3	Very high	39 Å²	39	19 Å²	19	18%	0.182	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	162.9	176.6	-96.6	-59	162.2	0	0	112	Y238 F291 A292 I469	Y238-E240 HydrophobicContact CD1-CB 4.12Å; Y238-E240 VanDerWaalsContact CD1-O 3.32Å; Y238-E240 WeakPolarHBondContact CD1-O 3.28Å; Y238-E240 HydrophobicContact CE1-CB 4.03Å; Y238-E240 PolarHBondContact O-N 3.18Å; Y238-E240 VanDerWaalsContact O-N 3.08Å; E240-F291 PolarHBondContact OE2-N 2.94Å; E240-A292 PolarHBondContact OE1-N 3.21Å; E240-I469 HydrophobicContact CB-CG1 4.34Å; E240-I469 HydrophobicContact CB-CG2 4.49Å
241	G	95.2	Very high	94.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-167.5	-175.8	0	0	0	0	0	112.1	F291 I469	G241-F291 VanDerWaalsContact N-CD2 3.34Å; G241-I469 WeakPolarHBondContact O-CD1 3.4Å
242	L	95.4	Very high	93.9	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.6	-171.9	-53.8	174	0	0	0	110.5	R222 K288 L465 D466 I469	R222-L242 HydrophobicContact CB-CB 4.2Å; R222-L242 PolarHBondContact N-O 2.72Å; R222-L242 PolarHBondContact O-N 2.79Å; L242-K288 HydrophobicContact CB-CG 4.43Å; L242-K288 HydrophobicContact CD1-CD 4.31Å; L242-K288 HydrophobicContact CD2-CD 4.11Å; L242-K288 HydrophobicContact CD2-CG 4.18Å; L242-L465 HydrophobicContact CD2-CD2 4.36Å; L242-L465 HydrophobicContact CD2-CG 4.27Å; L242-D466 WeakPolarHBondContact CD1-OD1 3.45Å; L242-I469 HydrophobicContact CD2-CD1 3.63Å
243	V	96	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.5	155.7	-172	0	0	0	0	106.9	I214 C219 D220 L221 L245 K288 R289 S290 F291 F294	I214-V243 HydrophobicContact CD1-CG1 4.3Å; C219-V243 HydrophobicContact CB-CG1 3.9Å; D220-V243 WeakPolarHBondContact O-CA 3.13Å; L221-V243 HydrophobicContact CD2-CB 4.44Å; L221-V243 HydrophobicContact CD2-CG1 4.43Å; L221-V243 HydrophobicContact CD2-CG2 3.84Å; V243-L245 HydrophobicContact CG1-CD1 4.46Å; V243-K288 VanDerWaalsContact O-CA 3.31Å; V243-K288 WeakPolarHBondContact O-CA 3.29Å; V243-R289 HydrophobicContact CB-CB 4.26Å; V243-R289 PolarHBondContact N-O 3.22Å; V243-R289 PolarHBondContact O-N 2.82Å; V243-S290 WeakPolarHBondContact CG2-O 3.37Å; V243-F291 HydrophobicContact CG2-CD1 4.46Å; V243-F294 HydrophobicContact CG2-CB 3.8Å; V243-F294 HydrophobicContact CG2-CD2 4.33Å; V243-F294 HydrophobicContact CG2-CG 4.36Å
244	R	95.1	Very high	92.2	Very high	13 Å²	13	28.7 Å²	28.7	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.1	174.5	-64.5	170.7	-70.8	-177.5	-8.7	108.9	C219 D220 R222 T266 D439	C219-R244 CarbonylContact C-O 3.56Å; C219-R244 VanDerWaalsContact CA-O 3.27Å; C219-R244 WeakPolarHBondContact CA-O 3.05Å; D220-R244 PolarHBondContact N-O 3.43Å; D220-R244 PolarHBondContact O-N 3.07Å; D220-R244 IonicContact OD1-CZ 3.8Å; D220-R244 IonicContact OD1-NE 3.89Å; D220-R244 PolarHBondContact OD1-NE 3.34Å; D220-R244 IonicContact OD1-NH2 2.87Å; D220-R244 PolarHBondContact OD1-NH2 3.28Å; D220-R244 IonicContact OD2-CZ 3.29Å; D220-R244 IonicContact OD2-NE 2.75Å; D220-R244 IonicContact OD2-NH2 3.02Å; D220-R244 PolarHBondContact OD2-NH2 2.86Å; D220-R244 VanDerWaalsContact OD2-NH2 3.14Å; R222-R244 VanDerWaalsContact NH2-NH1 3.17Å; R244-T266 WeakPolarHBondContact CB-O 3.24Å; R244-D439 IonicContact CZ-OD2 3.22Å; R244-D439 IonicContact NH1-OD2 3.54Å; R244-D439 PolarHBondContact NH1-OD2 2.84Å; R244-D439 VanDerWaalsContact NH2-CG 3.25Å; R244-D439 IonicContact NH2-OD1 3.26Å; R244-D439 IonicContact NH2-OD2 3.69Å; R244-D439 PolarHBondContact NH2-OD2 2.72Å
245	L	94.9	Very high	90.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	153.2	175.8	-61.6	111.4	0	0	0	110.9	I214 K218 C219 V243 S287 R289	I214-L245 HydrophobicContact CB-CD2 3.83Å; I214-L245 HydrophobicContact CG2-CD2 3.99Å; K218-L245 CarbonylContact O-C 3.51Å; K218-L245 WeakPolarHBondContact O-CA 3.38Å; C219-L245 HydrophobicContact CB-CD2 4.32Å; C219-L245 HydrophobicContact CB-CG 4.22Å; V243-L245 HydrophobicContact CG1-CD1 4.46Å; L245-S287 PolarHBondContact N-O 3.35Å; L245-R289 HydrophobicContact CD1-CG 4.08Å
246	S	94.1	Very high	88.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	152	163.3	59.6	0	0	0	0	110.4	Y217 K218 E248 Y262	Y217-S246 VanDerWaalsContact CD1-O 3.27Å; Y217-S246 WeakPolarHBondContact CD1-O 3.38Å; K218-S246 PolarHBondContact N-OG 3.07Å; K218-S246 PolarHBondContact O-N 3.43Å; K218-S246 PolarHBondContact O-OG 3.13Å; S246-E248 WeakPolarHBondContact CB-O 3.26Å; S246-E248 PolarHBondContact OG-O 2.81Å; S246-Y262 WeakPolarHBondContact CB-O 3.4Å
247	A	91.7	Very high	86.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-28.2	176.1	0	0	0	0	0	112.3	Y217 Y262 N271 H274 Y277	Y217-A247 WeakPolarHBondContact CE1-O 3.32Å; A247-Y262 PolarHBondContact N-O 3.41Å; A247-N271 HydrophobicContact CB-CB 4.12Å; A247-N271 WeakPolarHBondContact CB-OD1 3.45Å; A247-N271 PolarHBondContact N-OD1 2.94Å; A247-H274 HydrophobicContact CB-CB 3.58Å; A247-Y277 HydrophobicContact CB-CD2 4.16Å
248	E	91.7	Very high	84.1	Confident	25 Å²	25	44.9 Å²	44.9	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	156.4	173.2	-78.7	177.1	-134	0	0	111.6	Y217 S246 S260 Y262 R263 H274	Y217-E248 VanDerWaalsContact CD1-O 3.28Å; Y217-E248 WeakPolarHBondContact CD1-O 3.4Å; S246-E248 WeakPolarHBondContact CB-O 3.26Å; S246-E248 PolarHBondContact OG-O 2.81Å; E248-S260 WeakPolarHBondContact OE1-CB 3.48Å; E248-S260 PolarHBondContact OE1-OG 3.29Å; E248-S260 VanDerWaalsContact OE2-CB 3.26Å; E248-S260 WeakPolarHBondContact OE2-CB 3.44Å; E248-Y262 PolarHBondContact N-O 2.76Å; E248-Y262 VanDerWaalsContact N-O 3.11Å; E248-R263 HydrophobicContact CB-CB 3.68Å; E248-R263 IonicContact OE2-CZ 3.22Å; E248-R263 VanDerWaalsContact OE2-CZ 3.23Å; E248-R263 IonicContact OE2-NE 2.66Å; E248-R263 PolarHBondContact OE2-NE 3.21Å; E248-R263 IonicContact OE2-NH2 2.99Å; E248-R263 PolarHBondContact OE2-NH2 3.39Å; E248-H274 IonicContact OE1-CE1 3.98Å; E248-H274 IonicContact OE1-NE2 3.79Å
249	K	92.3	Very high	82.4	Confident	123 Å²	123	46.4 Å²	46.4	54%	0.535	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.8	173	-71.8	-179.6	177.5	173.3	0	111.8	G216 Y217 R263	G216-K249 WeakPolarHBondContact O-CA 3.3Å; Y217-K249 HydrophobicContact CD1-CG 4.23Å; Y217-K249 HydrophobicContact CD2-CG 4.35Å; Y217-K249 HydrophobicContact CE1-CG 3.83Å; Y217-K249 HydrophobicContact CE2-CG 3.94Å; Y217-K249 HydrophobicContact CG-CG 4.46Å; K249-R263 VanDerWaalsContact O-CB 3.28Å; K249-R263 WeakPolarHBondContact O-CB 3.27Å
250	Y	92.6	Very high	81.6	Confident	32 Å²	32	43.6 Å²	43.6	13%	0.125	24%	0.243	C	C	.	.			trans	-71.2	136.1	-175.4	-174.5	-104.3	0	0	0	112.4	Y207 E209 P211 L213 G216 K218 Q264	Y207-Y250 HydrophobicContact CE1-CE2 4.39Å; E209-Y250 PolarHBondContact O-OH 2.95Å; P211-Y250 HydrophobicContact CG-CD1 4.2Å; P211-Y250 HydrophobicContact CG-CD2 4.28Å; P211-Y250 HydrophobicContact CG-CE1 3.87Å; P211-Y250 HydrophobicContact CG-CE2 3.95Å; P211-Y250 HydrophobicContact CG-CG 4.38Å; L213-Y250 HydrophobicContact CD1-CD1 4.17Å; L213-Y250 VanDerWaalsContact CD2-CB 3.47Å; L213-Y250 HydrophobicContact CD2-CD1 3.84Å; L213-Y250 HydrophobicContact CD2-CG 3.73Å; G216-Y250 PolarHBondContact O-N 3.07Å; K218-Y250 HydrophobicContact CB-CD2 3.85Å; K218-Y250 HydrophobicContact CB-CG 4.32Å; K218-Y250 HydrophobicContact CD-CD2 3.98Å; K218-Y250 HydrophobicContact CD-CE2 3.98Å; K218-Y250 HydrophobicContact CG-CD2 4.34Å; Y250-Q264 VanDerWaalsContact CE2-OE1 3.31Å
251	V	88.6	Confident	81.1	Confident	68 Å²	68	45.9 Å²	45.9	41%	0.412	26%	0.255	S	S	.	.			trans	-135.8	140	170.6	-177.9	0	0	0	0	106.5	Q264	V251-Q264 PolarHBondContact O-NE2 3.44Å
252	K	83.8	Confident	80.6	Confident	92 Å²	92	49 Å²	49	40%	0.4	27%	0.267	S	S	.	.			trans	-60.7	129.9	177.2	174.2	170.3	169.5	163.9	0	109.8	E209 S254	E209-K252 IonicContact OE1-NZ 2.68Å; E209-K252 PolarHBondContact OE1-NZ 3.27Å; E209-K252 WeakPolarHBondContact OE2-CE 3.3Å; E209-K252 IonicContact OE2-NZ 2.77Å; E209-K252 PolarHBondContact OE2-NZ 2.79Å; K252-S254 PolarHBondContact O-N 3.08Å; K252-S254 VanDerWaalsContact O-N 3.08Å; K252-S254 PolarHBondContact O-OG 2.73Å; K252-S254 VanDerWaalsContact O-OG 3.04Å
253	P	80.1	Confident	80.3	Confident	7 Å²	7	51.5 Å²	51.5	5%	0.045	28%	0.276	C	S	.	.			trans	-51.3	116.1	175.9	-27.4	33.1	0	0	0	112.1	C169 C187 Y207 D259	C169-P253 HydrophobicContact CB-CB 4.39Å; C187-P253 PolarHBondContact SG-O 2.91Å; C187-P253 VanDerWaalsContact SG-O 3.34Å; Y207-P253 HydrophobicContact CD1-CG 3.84Å; Y207-P253 HydrophobicContact CE1-CG 3.44Å; Y207-P253 VanDerWaalsContact CE1-CG 3.44Å; P253-D259 WeakPolarHBondContact CA-OD2 3.31Å
254	S	69.1	Low	79.9	Confident	89 Å²	89	51.6 Å²	51.6	62%	0.622	28%	0.277	S	S	*	.			trans	-105.1	-41.4	-176	-61.8	0	0	0	0	111.5	K252 D259	K252-S254 PolarHBondContact O-N 3.08Å; K252-S254 VanDerWaalsContact O-N 3.08Å; K252-S254 PolarHBondContact O-OG 2.73Å; K252-S254 VanDerWaalsContact O-OG 3.04Å; S254-D259 PolarHBondContact N-OD2 2.8Å
255	E	61.6	Low	79.7	Confident	112 Å²	112	51.7 Å²	51.7	52%	0.523	28%	0.278	S	S	.	.			trans	-136.8	135.1	176.6	-86	-103.3	-148.7	0	0	111.2	K191 N257 G258	K191-E255 IonicContact NZ-OE2 3.38Å; K191-E255 PolarHBondContact NZ-OE2 3.4Å; E255-N257 PolarHBondContact O-N 2.75Å; E255-N257 VanDerWaalsContact O-N 3.07Å; E255-G258 PolarHBondContact O-N 3.47Å
256	P	54.8	Low	79.5	Confident	29 Å²	29	52 Å²	52	19%	0.188	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.3	-173.3	26.6	-35.5	0	0	0	115.2	L185 K191	L185-P256 VanDerWaalsContact O-CB 3.26Å; L185-P256 WeakPolarHBondContact O-CB 3.44Å; K191-P256 HydrophobicContact CD-CG 3.62Å
257	N	52.1	Low	79.3	Confident	152 Å²	152	53 Å²	53	81%	0.813	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	2.8	-177.5	-67.6	6.2	0	0	0	113.5	E255	E255-N257 PolarHBondContact O-N 2.75Å; E255-N257 VanDerWaalsContact O-N 3.07Å
258	G	50.4	Low	79.1	Confident	64 Å²	64	54.9 Å²	54.9	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	-23.4	-173	0	0	0	0	0	115.9	E255	E255-G258 PolarHBondContact O-N 3.47Å
259	D	61.7	Low	78.9	Confident	35 Å²	35	55.5 Å²	55.5	19%	0.187	30%	0.3	C	S	.	.	S	Bend	trans	-81.4	128.1	179.7	-91.6	-67.8	0	0	0	112.7	P253 S254 I261 R263	P253-D259 WeakPolarHBondContact CA-OD2 3.31Å; S254-D259 PolarHBondContact N-OD2 2.8Å; D259-I261 PolarHBondContact O-N 3.47Å; D259-R263 IonicContact OD1-NH1 2.88Å; D259-R263 PolarHBondContact OD1-NH1 2.75Å; D259-R263 VanDerWaalsContact OD1-NH1 3.11Å
260	S	77.5	Confident	78.5	Confident	27 Å²	27	50.9 Å²	50.9	19%	0.189	28%	0.281	C	S	.	.			trans	-60.8	131.5	-179.1	178	0	0	0	0	112.9	E248 Y262 R263	E248-S260 WeakPolarHBondContact OE1-CB 3.48Å; E248-S260 PolarHBondContact OE1-OG 3.29Å; E248-S260 VanDerWaalsContact OE2-CB 3.26Å; E248-S260 WeakPolarHBondContact OE2-CB 3.44Å; S260-Y262 PolarHBondContact O-N 3.23Å; S260-Y262 VanDerWaalsContact O-N 3.13Å; S260-Y262 WeakPolarHBondContact OG-CD2 3.43Å; S260-Y262 PolarHBondContact OG-N 2.82Å; S260-Y262 VanDerWaalsContact OG-N 3.16Å; S260-R263 WeakPolarHBondContact O-CG 3.18Å; S260-R263 PolarHBondContact O-N 2.82Å
261	I	83.8	Confident	78.4	Confident	87 Å²	87	49.3 Å²	49.3	45%	0.446	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-24.7	173.5	62.9	173.7	0	0	0	112.4	D259 R263 Q264 L265 I270	D259-I261 PolarHBondContact O-N 3.47Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 3.2Å; I261-Q264 PolarHBondContact O-N 3.41Å; I261-L265 HydrophobicContact CB-CD1 4.4Å; I261-L265 WeakPolarHBondContact O-CB 2.99Å; I261-L265 PolarHBondContact O-N 2.96Å; I261-I270 HydrophobicContact CD1-CG2 3.94Å; I261-I270 HydrophobicContact CG1-CG2 4.3Å
262	Y	86.2	Confident	78.3	Confident	65 Å²	65	49.4 Å²	49.4	26%	0.255	27%	0.27	S	S	.	.	H	α-helix	trans	-76.6	-10.2	-178.1	-56.1	-67.8	0	0	0	114.4	S246 A247 E248 S260 I270 N271 H274	S246-Y262 WeakPolarHBondContact CB-O 3.4Å; A247-Y262 PolarHBondContact N-O 3.41Å; E248-Y262 PolarHBondContact N-O 2.76Å; E248-Y262 VanDerWaalsContact N-O 3.11Å; S260-Y262 PolarHBondContact O-N 3.23Å; S260-Y262 VanDerWaalsContact O-N 3.13Å; S260-Y262 WeakPolarHBondContact OG-CD2 3.43Å; S260-Y262 PolarHBondContact OG-N 2.82Å; S260-Y262 VanDerWaalsContact OG-N 3.16Å; Y262-I270 HydrophobicContact CD1-CG2 3.73Å; Y262-I270 HydrophobicContact CE1-CG2 3.55Å; Y262-N271 PolarHBondContact O-OD1 2.73Å; Y262-N271 VanDerWaalsContact O-OD1 3.13Å; Y262-H274 HydrophobicContact CD1-CB 3.82Å; Y262-H274 AromaticContact CD2-CD2 3.49Å; Y262-H274 VanDerWaalsContact CD2-CD2 3.49Å; Y262-H274 WeakPolarHBondContact CD2-CD2 3.32Å; Y262-H274 HydrophobicContact CE1-CB 4.09Å; Y262-H274 AromaticContact CE2-CD2 3.83Å; Y262-H274 HydrophobicContact CG-CB 4.06Å; Y262-H274 AromaticContact CG-CD2 3.77Å; Y262-H274 AromaticContact CG-CG 3.92Å
263	R	88.7	Confident	78.5	Confident	59 Å²	59	51.6 Å²	51.6	22%	0.223	28%	0.281	C	S	.	.	H	α-helix	trans	-99.6	-26.9	166.7	76.6	-173.1	66.6	156.2	-11.8	113.6	E248 K249 D259 S260 I261	E248-R263 HydrophobicContact CB-CB 3.68Å; E248-R263 IonicContact OE2-CZ 3.22Å; E248-R263 VanDerWaalsContact OE2-CZ 3.23Å; E248-R263 IonicContact OE2-NE 2.66Å; E248-R263 PolarHBondContact OE2-NE 3.21Å; E248-R263 IonicContact OE2-NH2 2.99Å; E248-R263 PolarHBondContact OE2-NH2 3.39Å; K249-R263 VanDerWaalsContact O-CB 3.28Å; K249-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 IonicContact OD1-NH1 2.88Å; D259-R263 PolarHBondContact OD1-NH1 2.75Å; D259-R263 VanDerWaalsContact OD1-NH1 3.11Å; S260-R263 WeakPolarHBondContact O-CG 3.18Å; S260-R263 PolarHBondContact O-N 2.82Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 3.2Å
264	Q	87.7	Confident	78.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-92.2	-31.1	-173.1	-53.4	-59.9	-10.8	0	0	113.4	L185 Y207 K218 Y250 V251 I261	L185-Q264 HydrophobicContact CD1-CB 3.61Å; L185-Q264 HydrophobicContact CD1-CG 3.7Å; Y207-Q264 PolarHBondContact OH-O 2.95Å; Y207-Q264 PolarHBondContact OH-OE1 2.74Å; K218-Q264 PolarHBondContact NZ-O 2.99Å; Y250-Q264 VanDerWaalsContact CE2-OE1 3.31Å; V251-Q264 PolarHBondContact O-NE2 3.44Å; I261-Q264 PolarHBondContact O-N 3.41Å
265	L	89.8	Confident	79.8	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.079	30%	0.298	C	S	.	.			trans	-105.9	134.2	178.5	-56.1	-178.5	0	0	0	110.6	I171 I183 I261 I270 N271	I171-L265 HydrophobicContact CD1-CD2 4.34Å; I183-L265 HydrophobicContact CG2-CD2 4.05Å; I261-L265 HydrophobicContact CB-CD1 4.4Å; I261-L265 WeakPolarHBondContact O-CB 2.99Å; I261-L265 PolarHBondContact O-N 2.96Å; L265-I270 HydrophobicContact CD1-CD1 3.64Å; L265-N271 PolarHBondContact O-ND2 3.33Å
266	T	90.9	Very high	80.9	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	30%	0.297	C	S	.	.			trans	-96.6	3.6	178.5	39.7	0	0	0	0	112.8	K218 D220 R244 Y268	K218-T266 HydrophobicContact CB-CG2 4.43Å; K218-T266 HydrophobicContact CD-CG2 4.35Å; K218-T266 HydrophobicContact CG-CG2 4Å; K218-T266 WeakPolarHBondContact O-CG2 3.37Å; D220-T266 HydrophobicContact CB-CG2 4.43Å; D220-T266 WeakPolarHBondContact OD2-CB 3.45Å; D220-T266 PolarHBondContact OD2-OG1 3.23Å; R244-T266 WeakPolarHBondContact CB-O 3.24Å; T266-Y268 PolarHBondContact O-N 2.85Å; T266-Y268 VanDerWaalsContact O-N 3.16Å
267	N	89.8	Confident	82.5	Confident	20 Å²	20	55.8 Å²	55.8	11%	0.107	29%	0.291	C	S	.	.			trans	-65.9	116.8	-177.9	-61.3	95.3	0	0	0	111	S269 I270 N271	N267-S269 PolarHBondContact O-N 3.49Å; N267-S269 VanDerWaalsContact O-N 3.13Å; N267-I270 HydrophobicContact CB-CD1 4.5Å; N267-I270 PolarHBondContact O-N 3.32Å; N267-N271 PolarHBondContact O-N 3.02Å; N267-N271 PolarHBondContact O-ND2 3.43Å
268	Y	88.1	Confident	84	Confident	39 Å²	39	53 Å²	53	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-51.3	-35.2	175.1	174	-110.5	0	0	0	113.3	T266 I270 K272 Y277 D462	T266-Y268 PolarHBondContact O-N 2.85Å; T266-Y268 VanDerWaalsContact O-N 3.16Å; Y268-I270 PolarHBondContact O-N 2.77Å; Y268-K272 HydrophobicContact CD1-CD 4.31Å; Y268-K272 HydrophobicContact CD2-CB 4.07Å; Y268-K272 HydrophobicContact CE1-CD 3.68Å; Y268-K272 HydrophobicContact CE2-CB 3.57Å; Y268-K272 HydrophobicContact CE2-CD 4.14Å; Y268-K272 HydrophobicContact CE2-CG 4.46Å; Y268-K272 VanDerWaalsContact O-CB 3.28Å; Y268-K272 WeakPolarHBondContact O-CB 3.35Å; Y268-K272 VanDerWaalsContact O-CG 3.24Å; Y268-K272 WeakPolarHBondContact O-CG 3.46Å; Y268-K272 PolarHBondContact O-N 2.87Å; Y268-K272 VanDerWaalsContact O-N 3.11Å; Y268-Y277 HydrophobicContact CD2-CE1 4.24Å; Y268-Y277 HydrophobicContact CD2-CE2 4.42Å; Y268-Y277 AromaticContact CD2-CZ 3.74Å; Y268-Y277 VanDerWaalsContact CD2-OH 3.28Å; Y268-Y277 WeakPolarHBondContact CD2-OH 3.27Å; Y268-Y277 AromaticContact CE2-CE1 3.91Å; Y268-Y277 HydrophobicContact CE2-CE1 3.91Å; Y268-Y277 AromaticContact CE2-CZ 3.88Å; Y268-D462 HydrophobicContact CE1-CB 4.26Å; Y268-D462 WeakPolarHBondContact CE1-OD2 3.28Å; Y268-D462 WeakPolarHBondContact OH-CB 3.29Å; Y268-D462 PolarHBondContact OH-OD2 2.69Å
269	S	86.3	Confident	85.6	Confident	38 Å²	38	54.5 Å²	54.5	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-24.1	177	42.3	0	0	0	0	114.8	M179 N267 H273	M179-S269 WeakPolarHBondContact CA-OG 3.45Å; M179-S269 WeakPolarHBondContact CB-OG 3.46Å; M179-S269 PolarHBondContact O-OG 3.24Å; N267-S269 PolarHBondContact O-N 3.49Å; N267-S269 VanDerWaalsContact O-N 3.13Å; S269-H273 PolarHBondContact O-CD2 2.81Å
270	I	85.3	Confident	86.4	Confident	26 Å²	26	53.3 Å²	53.3	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-97.4	-55	175.9	-66.7	174	0	0	0	108.7	I261 Y262 L265 N267 Y268 K272 H273	I261-I270 HydrophobicContact CD1-CG2 3.94Å; I261-I270 HydrophobicContact CG1-CG2 4.3Å; Y262-I270 HydrophobicContact CD1-CG2 3.73Å; Y262-I270 HydrophobicContact CE1-CG2 3.55Å; L265-I270 HydrophobicContact CD1-CD1 3.64Å; N267-I270 HydrophobicContact CB-CD1 4.5Å; N267-I270 PolarHBondContact O-N 3.32Å; Y268-I270 PolarHBondContact O-N 2.77Å; I270-K272 VanDerWaalsContact C-N 3.31Å; I270-K272 PolarHBondContact O-N 2.91Å; I270-H273 PolarHBondContact O-N 3.33Å; I270-H273 VanDerWaalsContact O-N 3.16Å
271	N	89.7	Confident	86.2	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-31.1	-169.7	-73.1	-81.3	0	0	0	114.2	A247 Y262 L265 N267 H273 H274 Y277	A247-N271 HydrophobicContact CB-CB 4.12Å; A247-N271 WeakPolarHBondContact CB-OD1 3.45Å; A247-N271 PolarHBondContact N-OD1 2.94Å; Y262-N271 PolarHBondContact O-OD1 2.73Å; Y262-N271 VanDerWaalsContact O-OD1 3.13Å; L265-N271 PolarHBondContact O-ND2 3.33Å; N267-N271 PolarHBondContact O-N 3.02Å; N267-N271 PolarHBondContact O-ND2 3.43Å; N271-H273 PolarHBondContact O-N 3.17Å; N271-H274 WeakPolarHBondContact O-CB 3.36Å; N271-H274 PolarHBondContact O-N 2.84Å; N271-Y277 HydrophobicContact CB-CD2 3.62Å; N271-Y277 HydrophobicContact CB-CE2 3.91Å; N271-Y277 WeakPolarHBondContact O-CB 3.28Å
272	K	87.6	Confident	85.8	Confident	70 Å²	70	57.6 Å²	57.6	30%	0.304	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.9	177.4	76.8	179.7	-167.3	158.2	0	115.5	Y268 I270 Y277 D462	Y268-K272 HydrophobicContact CD1-CD 4.31Å; Y268-K272 HydrophobicContact CD2-CB 4.07Å; Y268-K272 HydrophobicContact CE1-CD 3.68Å; Y268-K272 HydrophobicContact CE2-CB 3.57Å; Y268-K272 HydrophobicContact CE2-CD 4.14Å; Y268-K272 HydrophobicContact CE2-CG 4.46Å; Y268-K272 VanDerWaalsContact O-CB 3.28Å; Y268-K272 WeakPolarHBondContact O-CB 3.35Å; Y268-K272 VanDerWaalsContact O-CG 3.24Å; Y268-K272 WeakPolarHBondContact O-CG 3.46Å; Y268-K272 PolarHBondContact O-N 2.87Å; Y268-K272 VanDerWaalsContact O-N 3.11Å; I270-K272 VanDerWaalsContact C-N 3.31Å; I270-K272 PolarHBondContact O-N 2.91Å; K272-Y277 HydrophobicContact CB-CD1 4.46Å; K272-D462 IonicContact NZ-OD2 2.72Å
273	H	87	Confident	85.4	Confident	137 Å²	137	56.8 Å²	56.8	63%	0.634	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-3	176.3	-64.1	-73.3	0	0	0	112.7	S269 I270 N271	S269-H273 PolarHBondContact O-CD2 2.81Å; I270-H273 PolarHBondContact O-N 3.33Å; I270-H273 VanDerWaalsContact O-N 3.16Å; N271-H273 PolarHBondContact O-N 3.17Å
274	H	88.8	Confident	85	Confident	37 Å²	37	59.9 Å²	59.9	17%	0.171	30%	0.304	C	S	.	.	S	Bend	trans	-86.5	141.4	175.8	-165.3	-114.8	0	0	0	111.2	A247 E248 Y262 N271 E276 Y277	A247-H274 HydrophobicContact CB-CB 3.58Å; E248-H274 IonicContact OE1-CE1 3.98Å; E248-H274 IonicContact OE1-NE2 3.79Å; Y262-H274 HydrophobicContact CD1-CB 3.82Å; Y262-H274 AromaticContact CD2-CD2 3.49Å; Y262-H274 VanDerWaalsContact CD2-CD2 3.49Å; Y262-H274 WeakPolarHBondContact CD2-CD2 3.32Å; Y262-H274 HydrophobicContact CE1-CB 4.09Å; Y262-H274 AromaticContact CE2-CD2 3.83Å; Y262-H274 HydrophobicContact CG-CB 4.06Å; Y262-H274 AromaticContact CG-CD2 3.77Å; Y262-H274 AromaticContact CG-CG 3.92Å; N271-H274 WeakPolarHBondContact O-CB 3.36Å; N271-H274 PolarHBondContact O-N 2.84Å; H274-E276 VanDerWaalsContact C-N 3.27Å; H274-E276 IonicContact CE1-OE2 3.54Å; H274-E276 PolarHBondContact ND1-N 2.96Å; H274-E276 PolarHBondContact O-N 2.98Å; H274-Y277 WeakPolarHBondContact O-CB 3.42Å; H274-Y277 PolarHBondContact O-N 3.47Å; H274-Y277 VanDerWaalsContact O-N 3.11Å
275	I	87.8	Confident	84.7	Confident	166 Å²	166	62.4 Å²	62.4	85%	0.851	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.5	-175.3	-165.5	167.5	0	0	0	113.3	Y277	I275-Y277 VanDerWaalsContact C-N 3.32Å
276	E	85.6	Confident	84.5	Confident	109 Å²	109	61.7 Å²	61.7	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.5	177.1	-56.1	-173.2	138.8	0	0	113.7	H274 H278	H274-E276 VanDerWaalsContact C-N 3.27Å; H274-E276 IonicContact CE1-OE2 3.54Å; H274-E276 PolarHBondContact ND1-N 2.96Å; H274-E276 PolarHBondContact O-N 2.98Å; E276-H278 PolarHBondContact O-N 2.82Å; E276-H278 VanDerWaalsContact O-N 3.13Å
277	Y	86.9	Confident	84.6	Confident	13 Å²	13	61.7 Å²	61.7	5%	0.051	32%	0.319	C	S	.	.			trans	-74.2	107.4	-177.8	-174.9	-87.6	0	0	0	111.3	A247 Y268 N271 K272 H274 I275 H279 S287	A247-Y277 HydrophobicContact CB-CD2 4.16Å; Y268-Y277 HydrophobicContact CD2-CE1 4.24Å; Y268-Y277 HydrophobicContact CD2-CE2 4.42Å; Y268-Y277 AromaticContact CD2-CZ 3.74Å; Y268-Y277 VanDerWaalsContact CD2-OH 3.28Å; Y268-Y277 WeakPolarHBondContact CD2-OH 3.27Å; Y268-Y277 AromaticContact CE2-CE1 3.91Å; Y268-Y277 HydrophobicContact CE2-CE1 3.91Å; Y268-Y277 AromaticContact CE2-CZ 3.88Å; N271-Y277 HydrophobicContact CB-CD2 3.62Å; N271-Y277 HydrophobicContact CB-CE2 3.91Å; N271-Y277 WeakPolarHBondContact O-CB 3.28Å; K272-Y277 HydrophobicContact CB-CD1 4.46Å; H274-Y277 WeakPolarHBondContact O-CB 3.42Å; H274-Y277 PolarHBondContact O-N 3.47Å; H274-Y277 VanDerWaalsContact O-N 3.11Å; I275-Y277 VanDerWaalsContact C-N 3.32Å; Y277-H279 AromaticContact CD1-CD2 3.57Å; Y277-H279 AromaticContact CD1-CE1 3.99Å; Y277-H279 AromaticContact CD1-NE2 3.42Å; Y277-H279 WeakPolarHBondContact CD1-NE2 3.43Å; Y277-H279 AromaticContact CE1-CE1 3.78Å; Y277-H279 AromaticContact CE1-NE2 3.7Å; Y277-H279 PolarHBondContact O-CD2 3.43Å; Y277-H279 PolarHBondContact O-N 2.9Å; Y277-S287 VanDerWaalsContact CD2-CB 3.42Å
278	H	84.9	Confident	84.7	Confident	94 Å²	94	60.9 Å²	60.9	44%	0.435	31%	0.314	S	S	.	.			trans	-82.2	106.6	-168.4	-172.4	-137.4	0	0	0	112.5	E276 S280 S285 G286 S287	E276-H278 PolarHBondContact O-N 2.82Å; E276-H278 VanDerWaalsContact O-N 3.13Å; H278-S280 PolarHBondContact O-N 3.09Å; H278-S285 PolarHBondContact ND1-O 2.82Å; H278-G286 WeakPolarHBondContact O-CA 3.5Å; H278-S287 PolarHBondContact N-OG 3.07Å; H278-S287 PolarHBondContact O-N 3.09Å; H278-S287 VanDerWaalsContact O-N 3.08Å
279	H	83.4	Confident	85	Confident	95 Å²	95	59.7 Å²	59.7	44%	0.44	31%	0.309	S	S	.	.			trans	-84.5	63.9	175.4	-78.3	-87.2	0	0	0	112.7	Y277	Y277-H279 AromaticContact CD1-CD2 3.57Å; Y277-H279 AromaticContact CD1-CE1 3.99Å; Y277-H279 AromaticContact CD1-NE2 3.42Å; Y277-H279 WeakPolarHBondContact CD1-NE2 3.43Å; Y277-H279 AromaticContact CE1-CE1 3.78Å; Y277-H279 AromaticContact CE1-NE2 3.7Å; Y277-H279 PolarHBondContact O-CD2 3.43Å; Y277-H279 PolarHBondContact O-N 2.9Å
280	S	79.7	Confident	85.4	Confident	11 Å²	11	58.1 Å²	58.1	8%	0.077	30%	0.298	C	S	.	.			trans	-69.3	154.1	170	63.3	0	0	0	0	112.2	H278 D282 S285 G286 Q463	H278-S280 PolarHBondContact O-N 3.09Å; S280-D282 VanDerWaalsContact C-N 3.34Å; S280-D282 WeakPolarHBondContact CB-O 3.38Å; S280-D282 PolarHBondContact OG-O 3.43Å; S280-S285 WeakPolarHBondContact CB-OG 3.49Å; S280-G286 WeakPolarHBondContact OG-CA 3.29Å; S280-G286 PolarHBondContact OG-N 2.79Å; S280-G286 VanDerWaalsContact OG-N 3.1Å; S280-Q463 PolarHBondContact O-NE2 3.49Å
281	P	71.9	Confident	85.9	Confident	104 Å²	104	57 Å²	57	68%	0.675	29%	0.293	S	S	*	.	S	Bend	trans	-78.4	-23.4	155.4	33.7	-32.9	0	0	0	111.5
282	D	75.4	Confident	86.1	Confident	100 Å²	100	59.8 Å²	59.8	54%	0.535	32%	0.315	S	S	.	.	S	Bend	trans	-83.8	139.1	-175.3	-51.1	-43.3	0	0	0	112.3	S280 I284	S280-D282 VanDerWaalsContact C-N 3.34Å; S280-D282 WeakPolarHBondContact CB-O 3.38Å; S280-D282 PolarHBondContact OG-O 3.43Å; D282-I284 PolarHBondContact O-N 2.82Å
283	D	78.1	Confident	86.4	Confident	47 Å²	47	57.8 Å²	57.8	25%	0.251	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.6	-175	-166.3	45.1	0	0	0	114.8	R289 S290	D283-R289 WeakPolarHBondContact O-CB 3.25Å; D283-R289 WeakPolarHBondContact O-CD 3.49Å; D283-R289 VanDerWaalsContact O-CG 3.26Å; D283-R289 WeakPolarHBondContact O-CG 3.19Å; D283-R289 WeakPolarHBondContact OD1-CA 3.33Å; D283-S290 VanDerWaalsContact OD1-CB 3.3Å; D283-S290 WeakPolarHBondContact OD1-CB 3.39Å; D283-S290 PolarHBondContact OD1-N 2.65Å; D283-S290 PolarHBondContact OD1-OG 3.46Å; D283-S290 VanDerWaalsContact OD2-CB 3.31Å; D283-S290 WeakPolarHBondContact OD2-CB 3.48Å; D283-S290 PolarHBondContact OD2-OG 3.49Å
284	I	80.4	Confident	86.9	Confident	125 Å²	125	51.2 Å²	51.2	64%	0.641	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-41.1	-171.6	-57.9	175.1	0	0	0	112	D282 R289 F293	D282-I284 PolarHBondContact O-N 2.82Å; I284-R289 PolarHBondContact O-NE 2.71Å; I284-R289 PolarHBondContact O-NH1 3.19Å; I284-F293 HydrophobicContact CG2-CE2 4.35Å
285	S	80.7	Confident	87.2	Confident	54 Å²	54	51.9 Å²	51.9	38%	0.378	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-14.7	-166.9	56.9	0	0	0	0	114.4	H278 S280	H278-S285 PolarHBondContact ND1-O 2.82Å; S280-S285 WeakPolarHBondContact CB-OG 3.49Å
286	G	87.3	Confident	87.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-77.1	163.7	-173.2	0	0	0	0	0	114.7	H278 S280 K288 R289	H278-G286 WeakPolarHBondContact O-CA 3.5Å; S280-G286 WeakPolarHBondContact OG-CA 3.29Å; S280-G286 PolarHBondContact OG-N 2.79Å; S280-G286 VanDerWaalsContact OG-N 3.1Å; G286-K288 PolarHBondContact O-N 3.03Å; G286-R289 PolarHBondContact O-NE 2.89Å; G286-R289 PolarHBondContact O-NH2 3.11Å
287	S	91.9	Very high	87.9	Confident	11 Å²	11	45 Å²	45	8%	0.077	25%	0.245	C	C	.	.	S	Bend	trans	-76.3	7.1	169.4	-57.2	0	0	0	0	113.3	L245 Y277 H278	L245-S287 PolarHBondContact N-O 3.35Å; Y277-S287 VanDerWaalsContact CD2-CB 3.42Å; H278-S287 PolarHBondContact N-OG 3.07Å; H278-S287 PolarHBondContact O-N 3.09Å; H278-S287 VanDerWaalsContact O-N 3.08Å
288	K	93.1	Very high	88.3	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	128.1	172.9	-177	-170.6	-67.6	154.2	0	108.7	L242 V243 G286 L465 D466	L242-K288 HydrophobicContact CB-CG 4.43Å; L242-K288 HydrophobicContact CD1-CD 4.31Å; L242-K288 HydrophobicContact CD2-CD 4.11Å; L242-K288 HydrophobicContact CD2-CG 4.18Å; V243-K288 VanDerWaalsContact O-CA 3.31Å; V243-K288 WeakPolarHBondContact O-CA 3.29Å; G286-K288 PolarHBondContact O-N 3.03Å; K288-L465 HydrophobicContact CG-CD2 4.25Å; K288-D466 IonicContact NZ-OD1 3.02Å; K288-D466 IonicContact NZ-OD2 3.23Å; K288-D466 PolarHBondContact NZ-OD2 2.65Å
289	R	94.5	Very high	88.8	Confident	13 Å²	13	43 Å²	43	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.9	-172.4	-50.1	-175.6	-167.5	169.7	3.8	111.5	D215 V243 L245 D283 I284 G286 F293	D215-R289 IonicContact OD2-CZ 2.66Å; D215-R289 IonicContact OD2-NH1 2.92Å; D215-R289 PolarHBondContact OD2-NH1 3.05Å; D215-R289 IonicContact OD2-NH2 3.11Å; D215-R289 PolarHBondContact OD2-NH2 3.22Å; V243-R289 HydrophobicContact CB-CB 4.26Å; V243-R289 PolarHBondContact N-O 3.22Å; V243-R289 PolarHBondContact O-N 2.82Å; L245-R289 HydrophobicContact CD1-CG 4.08Å; D283-R289 WeakPolarHBondContact O-CB 3.25Å; D283-R289 WeakPolarHBondContact O-CD 3.49Å; D283-R289 VanDerWaalsContact O-CG 3.26Å; D283-R289 WeakPolarHBondContact O-CG 3.19Å; D283-R289 WeakPolarHBondContact OD1-CA 3.33Å; I284-R289 PolarHBondContact O-NE 2.71Å; I284-R289 PolarHBondContact O-NH1 3.19Å; G286-R289 PolarHBondContact O-NE 2.89Å; G286-R289 PolarHBondContact O-NH2 3.11Å; R289-F293 HydrophobicContact CB-CB 4.07Å; R289-F293 HydrophobicContact CB-CD1 3.84Å; R289-F293 HydrophobicContact CB-CG 3.96Å; R289-F293 HydrophobicContact CG-CD1 4.28Å; R289-F293 HydrophobicContact CG-CG 4.45Å
290	S	94.4	Very high	89.3	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.042	24%	0.242	C	C	.	.			trans	-80	173.5	-178.1	74.3	0	0	0	0	114.1	V243 D283 A292 F293 F294	V243-S290 WeakPolarHBondContact CG2-O 3.37Å; D283-S290 VanDerWaalsContact OD1-CB 3.3Å; D283-S290 WeakPolarHBondContact OD1-CB 3.39Å; D283-S290 PolarHBondContact OD1-N 2.65Å; D283-S290 PolarHBondContact OD1-OG 3.46Å; D283-S290 VanDerWaalsContact OD2-CB 3.31Å; D283-S290 WeakPolarHBondContact OD2-CB 3.48Å; D283-S290 PolarHBondContact OD2-OG 3.49Å; S290-A292 WeakPolarHBondContact OG-CB 3.23Å; S290-A292 PolarHBondContact OG-N 2.76Å; S290-F293 PolarHBondContact OG-N 3.5Å; S290-F294 PolarHBondContact O-N 3.26Å
291	F	95.9	Very high	89.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-74.8	-27	167.1	-67.6	-11.1	0	0	0	112.6	L221 R222 V223 E240 G241 V243 F293 F294 N295 W310	L221-F291 HydrophobicContact CB-CE1 4.34Å; L221-F291 HydrophobicContact CD2-CE1 4.26Å; R222-F291 WeakPolarHBondContact O-CZ 3.18Å; V223-F291 HydrophobicContact CB-CZ 4.35Å; V223-F291 HydrophobicContact CG2-CE2 4.22Å; V223-F291 HydrophobicContact CG2-CZ 3.74Å; E240-F291 PolarHBondContact OE2-N 2.94Å; G241-F291 VanDerWaalsContact N-CD2 3.34Å; V243-F291 HydrophobicContact CG2-CD1 4.46Å; F291-F293 VanDerWaalsContact C-N 3.35Å; F291-F294 PolarHBondContact O-N 3.33Å; F291-N295 WeakPolarHBondContact O-CB 3.39Å; F291-N295 PolarHBondContact O-N 3.33Å; F291-N295 PolarHBondContact O-ND2 3.24Å; F291-N295 VanDerWaalsContact O-ND2 3.17Å; F291-W310 HydrophobicContact CB-CZ2 4.28Å; F291-W310 HydrophobicContact CD1-CH2 4.32Å; F291-W310 HydrophobicContact CD1-CZ2 4.42Å; F291-W310 AromaticContact CD2-CH2 3.53Å; F291-W310 HydrophobicContact CD2-CH2 3.53Å; F291-W310 AromaticContact CD2-CZ2 3.88Å; F291-W310 HydrophobicContact CD2-CZ2 3.88Å; F291-W310 HydrophobicContact CE1-CH2 4.26Å; F291-W310 AromaticContact CE2-CH2 3.48Å; F291-W310 HydrophobicContact CE2-CH2 3.48Å; F291-W310 VanDerWaalsContact CE2-CH2 3.48Å; F291-W310 HydrophobicContact CE2-CZ2 4.28Å; F291-W310 HydrophobicContact CE2-CZ3 4.26Å; F291-W310 AromaticContact CG-CH2 3.97Å; F291-W310 HydrophobicContact CG-CH2 3.97Å; F291-W310 AromaticContact CG-CZ2 3.96Å; F291-W310 HydrophobicContact CG-CZ2 3.96Å; F291-W310 AromaticContact CZ-CH2 3.86Å; F291-W310 HydrophobicContact CZ-CH2 3.86Å
292	A	93.1	Very high	90.8	Very high	58 Å²	58	47 Å²	47	48%	0.479	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-44.3	167.9	0	0	0	0	0	112.2	E240 S290 H296	E240-A292 PolarHBondContact OE1-N 3.21Å; S290-A292 WeakPolarHBondContact OG-CB 3.23Å; S290-A292 PolarHBondContact OG-N 2.76Å; A292-H296 PolarHBondContact O-N 3.35Å; A292-H296 VanDerWaalsContact O-N 3.17Å
293	F	94.7	Very high	91.6	Very high	28 Å²	28	50.6 Å²	50.6	12%	0.123	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-49.9	171.8	174.5	-87	0	0	0	111.3	I214 I284 R289 S290 F291 N295 H296 Y297	I214-F293 HydrophobicContact CG2-CE1 4.16Å; I214-F293 HydrophobicContact CG2-CZ 4.39Å; I284-F293 HydrophobicContact CG2-CE2 4.35Å; R289-F293 HydrophobicContact CB-CB 4.07Å; R289-F293 HydrophobicContact CB-CD1 3.84Å; R289-F293 HydrophobicContact CB-CG 3.96Å; R289-F293 HydrophobicContact CG-CD1 4.28Å; R289-F293 HydrophobicContact CG-CG 4.45Å; S290-F293 PolarHBondContact OG-N 3.5Å; F291-F293 VanDerWaalsContact C-N 3.35Å; F293-N295 VanDerWaalsContact C-N 3.35Å; F293-N295 PolarHBondContact O-N 3.45Å; F293-H296 PolarHBondContact O-N 3.13Å; F293-Y297 HydrophobicContact CE1-CD2 4.4Å; F293-Y297 HydrophobicContact CE1-CG 4.37Å; F293-Y297 HydrophobicContact CZ-CD2 4.18Å; F293-Y297 PolarHBondContact O-N 3.17Å
294	F	95.7	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-47.3	-178.5	-178.7	-106.2	0	0	0	112.3	L212 I214 L221 V243 S290 F291 H296 Y297 I298 W310 I442	L212-F294 HydrophobicContact CD2-CE2 3.85Å; L212-F294 HydrophobicContact CD2-CZ 4.37Å; I214-F294 HydrophobicContact CD1-CD2 4.45Å; L221-F294 HydrophobicContact CD1-CE1 4.08Å; L221-F294 HydrophobicContact CD1-CE2 4.49Å; L221-F294 HydrophobicContact CD1-CZ 4.06Å; L221-F294 HydrophobicContact CD2-CD2 3.92Å; L221-F294 HydrophobicContact CD2-CE2 4.04Å; L221-F294 HydrophobicContact CD2-CG 4.16Å; L221-F294 HydrophobicContact CD2-CZ 4.39Å; V243-F294 HydrophobicContact CG2-CB 3.8Å; V243-F294 HydrophobicContact CG2-CD2 4.33Å; V243-F294 HydrophobicContact CG2-CG 4.36Å; S290-F294 PolarHBondContact O-N 3.26Å; F291-F294 PolarHBondContact O-N 3.33Å; F294-H296 VanDerWaalsContact C-N 3.33Å; F294-H296 PolarHBondContact O-N 2.69Å; F294-Y297 PolarHBondContact O-N 2.93Å; F294-I298 HydrophobicContact CD1-CG1 4.26Å; F294-I298 HydrophobicContact CD2-CG1 4.36Å; F294-I298 HydrophobicContact CE1-CG1 3.81Å; F294-I298 HydrophobicContact CE2-CD1 4.03Å; F294-I298 HydrophobicContact CE2-CG1 3.93Å; F294-I298 HydrophobicContact CZ-CD1 3.88Å; F294-I298 HydrophobicContact CZ-CG1 3.63Å; F294-I298 WeakPolarHBondContact O-CG1 3.15Å; F294-I298 PolarHBondContact O-N 3.34Å; F294-W310 HydrophobicContact CD1-CZ2 4.32Å; F294-I442 HydrophobicContact CZ-CG1 4.14Å
295	N	95.9	Very high	92.9	Very high	50 Å²	50	46.1 Å²	46.1	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-41.2	179.5	-68.5	-24.7	0	0	0	111.5	F291 F293 Q299 P306 W310	F291-N295 WeakPolarHBondContact O-CB 3.39Å; F291-N295 PolarHBondContact O-N 3.33Å; F291-N295 PolarHBondContact O-ND2 3.24Å; F291-N295 VanDerWaalsContact O-ND2 3.17Å; F293-N295 VanDerWaalsContact C-N 3.35Å; F293-N295 PolarHBondContact O-N 3.45Å; N295-Q299 WeakPolarHBondContact O-CB 3.36Å; N295-Q299 PolarHBondContact O-N 3.21Å; N295-P306 HydrophobicContact CB-CB 4.21Å; N295-P306 HydrophobicContact CB-CG 4.31Å; N295-P306 WeakPolarHBondContact O-CG 3.47Å; N295-W310 PolarHBondContact OD1-NE1 2.84Å
296	H	94.5	Very high	93.5	Very high	110 Å²	110	44.2 Å²	44.2	51%	0.509	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-42.6	174.9	-169.3	87.1	0	0	0	112.1	A292 F293 F294 Q299 K300	A292-H296 PolarHBondContact O-N 3.35Å; A292-H296 VanDerWaalsContact O-N 3.17Å; F293-H296 PolarHBondContact O-N 3.13Å; F294-H296 VanDerWaalsContact C-N 3.33Å; F294-H296 PolarHBondContact O-N 2.69Å; H296-Q299 PolarHBondContact O-N 2.83Å; H296-K300 WeakPolarHBondContact O-CB 3.34Å; H296-K300 WeakPolarHBondContact O-CG 3.46Å; H296-K300 PolarHBondContact O-N 3.37Å
297	Y	94.3	Very high	93.8	Very high	22 Å²	22	49 Å²	49	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-48.5	176.8	178.8	-86.7	0	0	0	111.9	L212 L213 I214 F293 F294 Q299 V301 K302	L212-Y297 HydrophobicContact CD1-CE1 4.46Å; L213-Y297 PolarHBondContact O-OH 2.93Å; I214-Y297 HydrophobicContact CD1-CD1 4.28Å; I214-Y297 HydrophobicContact CD1-CE1 4.45Å; I214-Y297 HydrophobicContact CG1-CD1 4.15Å; I214-Y297 HydrophobicContact CG1-CE1 3.85Å; I214-Y297 HydrophobicContact CG1-CE2 4.35Å; I214-Y297 HydrophobicContact CG2-CD2 4.24Å; I214-Y297 HydrophobicContact CG2-CE2 4.06Å; F293-Y297 HydrophobicContact CE1-CD2 4.4Å; F293-Y297 HydrophobicContact CE1-CG 4.37Å; F293-Y297 HydrophobicContact CZ-CD2 4.18Å; F293-Y297 PolarHBondContact O-N 3.17Å; F294-Y297 PolarHBondContact O-N 2.93Å; Y297-Q299 VanDerWaalsContact C-N 3.33Å; Y297-Q299 PolarHBondContact O-N 3.09Å; Y297-V301 HydrophobicContact CD2-CB 3.99Å; Y297-V301 HydrophobicContact CD2-CG1 4.44Å; Y297-V301 HydrophobicContact CD2-CG2 3.71Å; Y297-V301 HydrophobicContact CE1-CB 4.44Å; Y297-V301 HydrophobicContact CE2-CB 3.82Å; Y297-V301 HydrophobicContact CE2-CG1 3.77Å; Y297-V301 HydrophobicContact CE2-CG2 3.85Å; Y297-V301 HydrophobicContact CG-CB 4.37Å; Y297-V301 HydrophobicContact CG-CG2 4.33Å; Y297-V301 WeakPolarHBondContact O-CA 3.49Å; Y297-V301 VanDerWaalsContact O-CB 3.29Å; Y297-V301 WeakPolarHBondContact O-CB 3.42Å; Y297-V301 PolarHBondContact O-N 2.99Å; Y297-K302 HydrophobicContact CD1-CG 4.48Å; Y297-K302 HydrophobicContact CE1-CG 3.83Å; Y297-K302 PolarHBondContact O-N 2.93Å
298	I	95.7	Very high	94	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-44.2	176.9	-68.6	-57.9	0	0	0	111.1	L212 F294 K302 Q303 S304 P306 I309 L446	L212-I298 HydrophobicContact CD2-CD1 4.01Å; F294-I298 HydrophobicContact CD1-CG1 4.26Å; F294-I298 HydrophobicContact CD2-CG1 4.36Å; F294-I298 HydrophobicContact CE1-CG1 3.81Å; F294-I298 HydrophobicContact CE2-CD1 4.03Å; F294-I298 HydrophobicContact CE2-CG1 3.93Å; F294-I298 HydrophobicContact CZ-CD1 3.88Å; F294-I298 HydrophobicContact CZ-CG1 3.63Å; F294-I298 WeakPolarHBondContact O-CG1 3.15Å; F294-I298 PolarHBondContact O-N 3.34Å; I298-K302 HydrophobicContact CD1-CB 4.47Å; I298-K302 HydrophobicContact CD1-CG 4.33Å; I298-K302 CarbonylContact O-C 3.54Å; I298-K302 PolarHBondContact O-N 3.16Å; I298-Q303 PolarHBondContact O-N 3.05Å; I298-Q303 VanDerWaalsContact O-N 3.12Å; I298-S304 PolarHBondContact O-N 3.34Å; I298-S304 VanDerWaalsContact O-N 3.17Å; I298-P306 HydrophobicContact CB-CG 4.28Å; I298-P306 HydrophobicContact CG2-CB 4.28Å; I298-P306 HydrophobicContact CG2-CG 4.04Å; I298-I309 HydrophobicContact CD1-CD1 3.84Å; I298-I309 HydrophobicContact CG1-CD1 3.94Å; I298-I309 HydrophobicContact CG2-CD1 3.74Å; I298-L446 HydrophobicContact CD1-CD2 4.01Å
299	Q	95	Very high	94.1	Very high	64 Å²	64	51.3 Å²	51.3	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-69.5	-44.3	-178.6	-166.3	-170	30.1	0	0	113.3	N295 H296 Y297 Q303 S304 P306 Y1054	N295-Q299 WeakPolarHBondContact O-CB 3.36Å; N295-Q299 PolarHBondContact O-N 3.21Å; H296-Q299 PolarHBondContact O-N 2.83Å; Y297-Q299 VanDerWaalsContact C-N 3.33Å; Y297-Q299 PolarHBondContact O-N 3.09Å; Q299-Q303 WeakPolarHBondContact O-CA 3.46Å; Q299-S304 WeakPolarHBondContact CA-O 3.19Å; Q299-P306 HydrophobicContact CB-CG 4.06Å; Q299-Y1054 PolarHBondContact NE2-OH 3.04Å
300	K	93	Very high	94.2	Very high	129 Å²	129	51.4 Å²	51.4	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-93.6	-36.7	-171.7	-62.1	-60.8	-174.3	178.3	0	113.9	H296	H296-K300 WeakPolarHBondContact O-CB 3.34Å; H296-K300 WeakPolarHBondContact O-CG 3.46Å; H296-K300 PolarHBondContact O-N 3.37Å
301	V	92.3	Very high	94.3	Very high	85 Å²	85	55.9 Å²	55.9	52%	0.515	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-44.8	-175.5	-172.5	0	0	0	0	111.4	Y297	Y297-V301 HydrophobicContact CD2-CB 3.99Å; Y297-V301 HydrophobicContact CD2-CG1 4.44Å; Y297-V301 HydrophobicContact CD2-CG2 3.71Å; Y297-V301 HydrophobicContact CE1-CB 4.44Å; Y297-V301 HydrophobicContact CE2-CB 3.82Å; Y297-V301 HydrophobicContact CE2-CG1 3.77Å; Y297-V301 HydrophobicContact CE2-CG2 3.85Å; Y297-V301 HydrophobicContact CG-CB 4.37Å; Y297-V301 HydrophobicContact CG-CG2 4.33Å; Y297-V301 WeakPolarHBondContact O-CA 3.49Å; Y297-V301 VanDerWaalsContact O-CB 3.29Å; Y297-V301 WeakPolarHBondContact O-CB 3.42Å; Y297-V301 PolarHBondContact O-N 2.99Å
302	K	91.9	Very high	94.4	Very high	81 Å²	81	59.6 Å²	59.6	35%	0.352	30%	0.299	S	S	.	.	S	Bend	trans	-90.3	-2.5	177.4	-64.8	-67.4	-174.4	171.1	0	114.1	L212 Y297 I298 S304 L446	L212-K302 HydrophobicContact CD1-CD 4.45Å; L212-K302 HydrophobicContact CD1-CG 4.46Å; Y297-K302 HydrophobicContact CD1-CG 4.48Å; Y297-K302 HydrophobicContact CE1-CG 3.83Å; Y297-K302 PolarHBondContact O-N 2.93Å; I298-K302 HydrophobicContact CD1-CB 4.47Å; I298-K302 HydrophobicContact CD1-CG 4.33Å; I298-K302 CarbonylContact O-C 3.54Å; I298-K302 PolarHBondContact O-N 3.16Å; K302-S304 PolarHBondContact O-N 3.47Å; K302-L446 HydrophobicContact CB-CD1 4.48Å
303	Q	91	Very high	94.6	Very high	175 Å²	175	56.8 Å²	56.8	82%	0.818	28%	0.277	S	S	*	.			trans	52.9	28.1	176.4	-54.8	-175.8	15	0	0	114	I298 Q299	I298-Q303 PolarHBondContact O-N 3.05Å; I298-Q303 VanDerWaalsContact O-N 3.12Å; Q299-Q303 WeakPolarHBondContact O-CA 3.46Å
304	S	92.3	Very high	94.7	Very high	34 Å²	34	57.8 Å²	57.8	24%	0.238	28%	0.28	C	S	.	.	S	Bend	trans	-113.1	154.4	-177.4	-176.5	0	0	0	0	110.8	I298 Q299 K302 P306	I298-S304 PolarHBondContact O-N 3.34Å; I298-S304 VanDerWaalsContact O-N 3.17Å; Q299-S304 WeakPolarHBondContact CA-O 3.19Å; K302-S304 PolarHBondContact O-N 3.47Å; S304-P306 WeakPolarHBondContact O-CD 3.34Å
305	N	93.1	Very high	94.8	Very high	44 Å²	44	59.8 Å²	59.8	24%	0.235	29%	0.29	C	S	.	.			trans	-71.3	120.4	173.4	-176	-6.7	0	0	0	109.9	Y307 T308	N305-Y307 PolarHBondContact O-N 3.08Å; N305-Y307 WeakPolarHBondContact OD1-CB 3.38Å; N305-Y307 WeakPolarHBondContact OD1-CD2 3.05Å; N305-Y307 PolarHBondContact OD1-N 3.06Å; N305-T308 HydrophobicContact CB-CG2 4.2Å; N305-T308 PolarHBondContact O-N 3.46Å; N305-T308 PolarHBondContact O-OG1 3.18Å
306	P	94.5	Very high	94.9	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.084	28%	0.278	C	S	.	.	S	Bend	trans	-62.5	-30.6	177.8	-22.7	34.5	0	0	0	113.3	N295 I298 Q299 S304 T308 I309 W310	N295-P306 HydrophobicContact CB-CB 4.21Å; N295-P306 HydrophobicContact CB-CG 4.31Å; N295-P306 WeakPolarHBondContact O-CG 3.47Å; I298-P306 HydrophobicContact CB-CG 4.28Å; I298-P306 HydrophobicContact CG2-CB 4.28Å; I298-P306 HydrophobicContact CG2-CG 4.04Å; Q299-P306 HydrophobicContact CB-CG 4.06Å; S304-P306 WeakPolarHBondContact O-CD 3.34Å; P306-T308 VanDerWaalsContact C-N 3.28Å; P306-T308 PolarHBondContact O-N 2.85Å; P306-I309 PolarHBondContact O-N 2.77Å; P306-I309 VanDerWaalsContact O-N 3.08Å; P306-W310 VanDerWaalsContact O-CD1 3.25Å; P306-W310 PolarHBondContact O-N 3.14Å; P306-W310 VanDerWaalsContact O-N 3.14Å
307	Y	94	Very high	95.1	Very high	100 Å²	100	52.2 Å²	52.2	39%	0.392	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-37	-178.5	-63.3	-59.3	0	0	0	112.2	N305 I309 W310 D311	N305-Y307 PolarHBondContact O-N 3.08Å; N305-Y307 WeakPolarHBondContact OD1-CB 3.38Å; N305-Y307 WeakPolarHBondContact OD1-CD2 3.05Å; N305-Y307 PolarHBondContact OD1-N 3.06Å; Y307-I309 PolarHBondContact O-N 3.06Å; Y307-W310 PolarHBondContact O-N 2.92Å; Y307-D311 PolarHBondContact O-N 3.49Å
308	T	94.7	Very high	95.3	Very high	63 Å²	63	51.3 Å²	51.3	39%	0.387	25%	0.25	S	S	.	.	H	α-helix	trans	-68.6	-19.5	178.5	62.4	0	0	0	0	113.7	N305 P306 K312	N305-T308 HydrophobicContact CB-CG2 4.2Å; N305-T308 PolarHBondContact O-N 3.46Å; N305-T308 PolarHBondContact O-OG1 3.18Å; P306-T308 VanDerWaalsContact C-N 3.28Å; P306-T308 PolarHBondContact O-N 2.85Å; T308-K312 WeakPolarHBondContact O-CG 3.34Å
309	I	96.2	Very high	95.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-82.4	-41.8	170.4	-51.3	-176.4	0	0	0	109.4	I298 P306 Y307 K312 I313 I442 L446	I298-I309 HydrophobicContact CD1-CD1 3.84Å; I298-I309 HydrophobicContact CG1-CD1 3.94Å; I298-I309 HydrophobicContact CG2-CD1 3.74Å; P306-I309 PolarHBondContact O-N 2.77Å; P306-I309 VanDerWaalsContact O-N 3.08Å; Y307-I309 PolarHBondContact O-N 3.06Å; I309-K312 PolarHBondContact O-N 3.47Å; I309-I313 HydrophobicContact CG2-CD1 4.01Å; I309-I313 WeakPolarHBondContact O-CG1 3.26Å; I309-I313 PolarHBondContact O-N 2.84Å; I309-I442 HydrophobicContact CG2-CD1 4.08Å; I309-L446 HydrophobicContact CD1-CB 4.02Å; I309-L446 HydrophobicContact CD1-CD1 4.26Å; I309-L446 HydrophobicContact CD1-CD2 4.25Å; I309-L446 HydrophobicContact CD1-CG 4.41Å; I309-L446 HydrophobicContact CG1-CB 4.39Å
310	W	96.8	Very high	95.6	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-39.2	178.1	-75.4	112	0	0	0	113.5	V223 I237 F291 F294 N295 P306 Y307 K312 I313 Y314	V223-W310 HydrophobicContact CG2-CH2 4.36Å; V223-W310 HydrophobicContact CG2-CZ3 4.17Å; I237-W310 HydrophobicContact CD1-CE3 4.21Å; I237-W310 HydrophobicContact CD1-CZ3 3.99Å; F291-W310 HydrophobicContact CB-CZ2 4.28Å; F291-W310 HydrophobicContact CD1-CH2 4.32Å; F291-W310 HydrophobicContact CD1-CZ2 4.42Å; F291-W310 AromaticContact CD2-CH2 3.53Å; F291-W310 HydrophobicContact CD2-CH2 3.53Å; F291-W310 AromaticContact CD2-CZ2 3.88Å; F291-W310 HydrophobicContact CD2-CZ2 3.88Å; F291-W310 HydrophobicContact CE1-CH2 4.26Å; F291-W310 AromaticContact CE2-CH2 3.48Å; F291-W310 HydrophobicContact CE2-CH2 3.48Å; F291-W310 VanDerWaalsContact CE2-CH2 3.48Å; F291-W310 HydrophobicContact CE2-CZ2 4.28Å; F291-W310 HydrophobicContact CE2-CZ3 4.26Å; F291-W310 AromaticContact CG-CH2 3.97Å; F291-W310 HydrophobicContact CG-CH2 3.97Å; F291-W310 AromaticContact CG-CZ2 3.96Å; F291-W310 HydrophobicContact CG-CZ2 3.96Å; F291-W310 AromaticContact CZ-CH2 3.86Å; F291-W310 HydrophobicContact CZ-CH2 3.86Å; F294-W310 HydrophobicContact CD1-CZ2 4.32Å; N295-W310 PolarHBondContact OD1-NE1 2.84Å; P306-W310 VanDerWaalsContact O-CD1 3.25Å; P306-W310 PolarHBondContact O-N 3.14Å; P306-W310 VanDerWaalsContact O-N 3.14Å; Y307-W310 PolarHBondContact O-N 2.92Å; W310-K312 PolarHBondContact O-N 3.29Å; W310-I313 HydrophobicContact CD2-CD1 4.3Å; W310-I313 HydrophobicContact CE3-CB 4.08Å; W310-I313 HydrophobicContact CE3-CD1 3.78Å; W310-I313 HydrophobicContact CE3-CG2 3.9Å; W310-I313 HydrophobicContact CH2-CD1 4.35Å; W310-I313 HydrophobicContact CZ3-CB 4.47Å; W310-I313 HydrophobicContact CZ3-CD1 3.81Å; W310-I313 HydrophobicContact CZ3-CG2 3.9Å; W310-I313 CarbonylContact O-C 3.56Å; W310-I313 WeakPolarHBondContact O-CA 3.29Å; W310-I313 WeakPolarHBondContact O-CB 3.35Å; W310-I313 PolarHBondContact O-N 3.34Å; W310-Y314 HydrophobicContact CB-CE1 4.03Å; W310-Y314 HydrophobicContact CB-CE2 4.35Å; W310-Y314 HydrophobicContact CD2-CE1 4.48Å; W310-Y314 AromaticContact CE3-CE1 3.89Å; W310-Y314 HydrophobicContact CE3-CE1 3.89Å; W310-Y314 WeakPolarHBondContact O-CD1 3.33Å; W310-Y314 PolarHBondContact O-N 2.8Å
311	D	95.7	Very high	95.8	Very high	100 Å²	100	42.5 Å²	42.5	54%	0.535	21%	0.211	S	C	.	.	H	α-helix	trans	-60.2	-43.6	174.5	-75	-39.2	0	0	0	112.1	Y307 I313 Y314 D315	Y307-D311 PolarHBondContact O-N 3.49Å; D311-I313 VanDerWaalsContact C-N 3.31Å; D311-I313 PolarHBondContact O-N 3.48Å; D311-Y314 PolarHBondContact O-N 3.24Å; D311-D315 WeakPolarHBondContact O-CB 3.35Å; D311-D315 PolarHBondContact O-N 2.85Å
312	K	97	Very high	96.1	Very high	79 Å²	79	38.4 Å²	38.4	34%	0.343	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-38.6	172.7	-65.1	177.8	-171.4	178.6	0	111.6	T308 I309 W310 L316 L446 N447 P448	T308-K312 WeakPolarHBondContact O-CG 3.34Å; I309-K312 PolarHBondContact O-N 3.47Å; W310-K312 PolarHBondContact O-N 3.29Å; K312-L316 VanDerWaalsContact O-CB 3.24Å; K312-L316 WeakPolarHBondContact O-CB 3.16Å; K312-L316 PolarHBondContact O-N 2.97Å; K312-L446 PolarHBondContact NZ-O 3.26Å; K312-N447 PolarHBondContact NZ-OD1 3.44Å; K312-P448 HydrophobicContact CB-CG 3.49Å; K312-P448 VanDerWaalsContact CB-CG 3.49Å; K312-P448 HydrophobicContact CD-CG 4.35Å
313	I	98.1	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-40.5	176.4	-71.2	169.2	0	0	0	111.2	L221 V223 I237 I309 W310 D311 L316 I317 I440 I442 P448	L221-I313 HydrophobicContact CD1-CD1 3.96Å; V223-I313 HydrophobicContact CG2-CG2 4.5Å; I237-I313 HydrophobicContact CD1-CG2 4.46Å; I309-I313 HydrophobicContact CG2-CD1 4.01Å; I309-I313 WeakPolarHBondContact O-CG1 3.26Å; I309-I313 PolarHBondContact O-N 2.84Å; W310-I313 HydrophobicContact CD2-CD1 4.3Å; W310-I313 HydrophobicContact CE3-CB 4.08Å; W310-I313 HydrophobicContact CE3-CD1 3.78Å; W310-I313 HydrophobicContact CE3-CG2 3.9Å; W310-I313 HydrophobicContact CH2-CD1 4.35Å; W310-I313 HydrophobicContact CZ3-CB 4.47Å; W310-I313 HydrophobicContact CZ3-CD1 3.81Å; W310-I313 HydrophobicContact CZ3-CG2 3.9Å; W310-I313 CarbonylContact O-C 3.56Å; W310-I313 WeakPolarHBondContact O-CA 3.29Å; W310-I313 WeakPolarHBondContact O-CB 3.35Å; W310-I313 PolarHBondContact O-N 3.34Å; D311-I313 VanDerWaalsContact C-N 3.31Å; D311-I313 PolarHBondContact O-N 3.48Å; I313-L316 PolarHBondContact O-N 2.86Å; I313-I317 HydrophobicContact CG2-CD1 3.61Å; I313-I317 HydrophobicContact CG2-CG1 4.43Å; I313-I317 WeakPolarHBondContact O-CB 3.48Å; I313-I317 WeakPolarHBondContact O-CD1 3.37Å; I313-I317 VanDerWaalsContact O-CG1 3.22Å; I313-I317 WeakPolarHBondContact O-CG1 3.5Å; I313-I317 PolarHBondContact O-N 2.85Å; I313-I440 HydrophobicContact CG1-CD1 4.32Å; I313-I440 HydrophobicContact CG2-CD1 3.78Å; I313-I442 HydrophobicContact CD1-CD1 4.38Å; I313-P448 HydrophobicContact CD1-CB 4.47Å; I313-P448 HydrophobicContact CG1-CB 3.65Å; I313-P448 HydrophobicContact CG1-CG 3.92Å
314	Y	97.7	Very high	96.5	Very high	49 Å²	49	26.5 Å²	26.5	19%	0.192	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-45.3	177.7	-58.8	-14.8	0	0	0	110.9	I237 W310 D311 I317 I318 I619	I237-Y314 HydrophobicContact CD1-CD1 3.82Å; I237-Y314 HydrophobicContact CD1-CE1 3.58Å; I237-Y314 HydrophobicContact CG2-CD1 4.44Å; I237-Y314 HydrophobicContact CG2-CE1 3.99Å; W310-Y314 HydrophobicContact CB-CE1 4.03Å; W310-Y314 HydrophobicContact CB-CE2 4.35Å; W310-Y314 HydrophobicContact CD2-CE1 4.48Å; W310-Y314 AromaticContact CE3-CE1 3.89Å; W310-Y314 HydrophobicContact CE3-CE1 3.89Å; W310-Y314 WeakPolarHBondContact O-CD1 3.33Å; W310-Y314 PolarHBondContact O-N 2.8Å; D311-Y314 PolarHBondContact O-N 3.24Å; Y314-I317 PolarHBondContact O-N 2.88Å; Y314-I318 VanDerWaalsContact O-CG1 3.25Å; Y314-I318 WeakPolarHBondContact O-CG1 3.26Å; Y314-I318 PolarHBondContact O-N 2.68Å; Y314-I619 HydrophobicContact CD1-CG2 4.05Å; Y314-I619 HydrophobicContact CD2-CG2 4.18Å; Y314-I619 HydrophobicContact CE1-CG2 4.46Å; Y314-I619 HydrophobicContact CG-CG2 3.91Å
315	D	97.5	Very high	96.7	Very high	41 Å²	41	25 Å²	25	22%	0.219	12%	0.121	C	C	.	.	H	α-helix	trans	-58.5	-51	174.5	-179.8	61.4	0	0	0	111.9	D311 I317 I318 K319 Y631	D311-D315 WeakPolarHBondContact O-CB 3.35Å; D311-D315 PolarHBondContact O-N 2.85Å; D315-I317 PolarHBondContact O-N 3.1Å; D315-I318 PolarHBondContact O-N 3.46Å; D315-K319 VanDerWaalsContact O-CB 3.32Å; D315-K319 WeakPolarHBondContact O-CB 3.18Å; D315-K319 WeakPolarHBondContact O-CG 3.33Å; D315-K319 PolarHBondContact O-N 3.47Å; D315-K319 WeakPolarHBondContact OD1-CE 3.38Å; D315-K319 IonicContact OD1-NZ 3.34Å; D315-K319 PolarHBondContact OD1-NZ 3.48Å; D315-K319 WeakPolarHBondContact OD2-CD 3.47Å; D315-K319 VanDerWaalsContact OD2-CE 3.27Å; D315-K319 WeakPolarHBondContact OD2-CE 3.37Å; D315-K319 IonicContact OD2-NZ 2.72Å; D315-K319 PolarHBondContact OD2-NZ 3.41Å; D315-Y631 WeakPolarHBondContact CA-OH 3.12Å; D315-Y631 WeakPolarHBondContact OD1-CE1 3.48Å; D315-Y631 PolarHBondContact OD1-OH 2.78Å
316	L	97.8	Very high	96.7	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-52.3	-48.4	174	174.4	160.9	0	0	0	112.3	F140 K312 I313 T320 F438 I440 P448 L450	F140-L316 HydrophobicContact CB-CD1 4.28Å; F140-L316 HydrophobicContact CD2-CB 4.16Å; F140-L316 HydrophobicContact CD2-CD1 3.93Å; F140-L316 HydrophobicContact CD2-CG 3.53Å; F140-L316 HydrophobicContact CE2-CB 4.46Å; F140-L316 HydrophobicContact CE2-CG 3.9Å; F140-L316 HydrophobicContact CG-CB 4.43Å; F140-L316 HydrophobicContact CG-CD1 4.4Å; F140-L316 HydrophobicContact CG-CG 4.19Å; K312-L316 VanDerWaalsContact O-CB 3.24Å; K312-L316 WeakPolarHBondContact O-CB 3.16Å; K312-L316 PolarHBondContact O-N 2.97Å; I313-L316 PolarHBondContact O-N 2.86Å; L316-T320 VanDerWaalsContact O-CB 3.32Å; L316-T320 WeakPolarHBondContact O-CB 3.39Å; L316-T320 PolarHBondContact O-N 3.3Å; L316-T320 PolarHBondContact O-OG1 3.03Å; L316-F438 HydrophobicContact CD2-CD1 4.28Å; L316-I440 HydrophobicContact CD1-CD1 4.45Å; L316-I440 HydrophobicContact CD2-CD1 3.78Å; L316-I440 HydrophobicContact CD2-CG1 4.27Å; L316-P448 HydrophobicContact CD1-CB 4.09Å; L316-P448 HydrophobicContact CD1-CG 4.31Å; L316-L450 HydrophobicContact CD1-CB 4.29Å; L316-L450 HydrophobicContact CD2-CB 4.38Å; L316-L450 HydrophobicContact CD2-CD1 4.25Å; L316-L450 HydrophobicContact CG-CB 4.45Å
317	I	98.5	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.5	-45.7	-179	-71.5	163	0	0	0	111	V223 V225 I235 I237 I313 Y314 D315 T320 L321 F438 I619	V223-I317 HydrophobicContact CG1-CD1 3.91Å; V225-I317 HydrophobicContact CB-CG2 4.48Å; V225-I317 HydrophobicContact CG1-CG2 3.8Å; V225-I317 HydrophobicContact CG2-CD1 3.83Å; V225-I317 HydrophobicContact CG2-CG1 4.28Å; V225-I317 HydrophobicContact CG2-CG2 3.84Å; I235-I317 HydrophobicContact CG2-CG2 4.25Å; I237-I317 HydrophobicContact CD1-CD1 4.05Å; I237-I317 HydrophobicContact CG1-CD1 4.45Å; I313-I317 HydrophobicContact CG2-CD1 3.61Å; I313-I317 HydrophobicContact CG2-CG1 4.43Å; I313-I317 WeakPolarHBondContact O-CB 3.48Å; I313-I317 WeakPolarHBondContact O-CD1 3.37Å; I313-I317 VanDerWaalsContact O-CG1 3.22Å; I313-I317 WeakPolarHBondContact O-CG1 3.5Å; I313-I317 PolarHBondContact O-N 2.85Å; Y314-I317 PolarHBondContact O-N 2.88Å; D315-I317 PolarHBondContact O-N 3.1Å; I317-T320 PolarHBondContact O-N 2.99Å; I317-L321 HydrophobicContact CG2-CD1 4.19Å; I317-L321 PolarHBondContact O-N 3.12Å; I317-F438 HydrophobicContact CB-CE1 4.38Å; I317-F438 HydrophobicContact CG1-CD1 3.91Å; I317-F438 HydrophobicContact CG1-CE1 4.02Å; I317-F438 HydrophobicContact CG1-CG 4.21Å; I317-F438 HydrophobicContact CG1-CZ 4.42Å; I317-F438 HydrophobicContact CG2-CE1 4.42Å; I317-F438 HydrophobicContact CG2-CE2 4.28Å; I317-F438 HydrophobicContact CG2-CZ 4.06Å; I317-I619 HydrophobicContact CB-CD1 4.23Å; I317-I619 HydrophobicContact CG2-CD1 3.84Å
318	I	98.3	Very high	96.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-50.5	179.8	-67	166.8	0	0	0	110	I235 Y314 D315 T320 L321 I322 I619 F620 Y631	I235-I318 HydrophobicContact CD1-CB 4.48Å; I235-I318 HydrophobicContact CD1-CG1 4.12Å; Y314-I318 VanDerWaalsContact O-CG1 3.25Å; Y314-I318 WeakPolarHBondContact O-CG1 3.26Å; Y314-I318 PolarHBondContact O-N 2.68Å; D315-I318 PolarHBondContact O-N 3.46Å; I318-T320 VanDerWaalsContact C-N 3.27Å; I318-T320 PolarHBondContact O-N 2.84Å; I318-L321 PolarHBondContact O-N 3.25Å; I318-L321 VanDerWaalsContact O-N 3.11Å; I318-I322 HydrophobicContact CG2-CD1 3.82Å; I318-I322 HydrophobicContact CG2-CG1 4.4Å; I318-I322 VanDerWaalsContact O-CG1 3.3Å; I318-I322 WeakPolarHBondContact O-CG1 3.22Å; I318-I322 PolarHBondContact O-N 2.91Å; I318-I619 HydrophobicContact CD1-CB 4.09Å; I318-I619 HydrophobicContact CD1-CD1 4.19Å; I318-I619 HydrophobicContact CD1-CG1 4.06Å; I318-I619 WeakPolarHBondContact CD1-O 3.48Å; I318-I619 HydrophobicContact CG1-CD1 3.85Å; I318-I619 HydrophobicContact CG1-CG1 4.02Å; I318-F620 HydrophobicContact CD1-CB 4.18Å; I318-F620 HydrophobicContact CG1-CB 4.16Å; I318-F620 HydrophobicContact CG2-CD2 3.97Å; I318-Y631 HydrophobicContact CB-CD1 4.41Å; I318-Y631 HydrophobicContact CB-CE1 4.06Å; I318-Y631 HydrophobicContact CD1-CD2 4.37Å; I318-Y631 HydrophobicContact CD1-CE1 4.42Å; I318-Y631 HydrophobicContact CD1-CE2 3.65Å; I318-Y631 HydrophobicContact CG2-CD1 3.56Å; I318-Y631 HydrophobicContact CG2-CD2 4.04Å; I318-Y631 HydrophobicContact CG2-CE1 3.69Å; I318-Y631 HydrophobicContact CG2-CE2 4.16Å; I318-Y631 HydrophobicContact CG2-CG 3.76Å
319	K	98.2	Very high	96.5	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.035	8%	0.075	C	C	.	.	H	α-helix	trans	-58.9	-36.7	177.6	-74.4	176.2	172.2	168.5	0	112.7	E137 Y138 F140 D315 I322 I323 Y631 L634	E137-K319 WeakPolarHBondContact O-CD 3.32Å; E137-K319 WeakPolarHBondContact O-CE 3.4Å; E137-K319 PolarHBondContact O-NZ 3.22Å; E137-K319 WeakPolarHBondContact OE2-CE 3.37Å; E137-K319 IonicContact OE2-NZ 3.71Å; E137-K319 PolarHBondContact OE2-NZ 2.8Å; Y138-K319 HydrophobicContact CE1-CB 3.92Å; Y138-K319 WeakPolarHBondContact CE1-O 3.41Å; Y138-K319 PolarHBondContact OH-O 3Å; F140-K319 HydrophobicContact CD1-CD 4.41Å; F140-K319 HydrophobicContact CE1-CB 3.8Å; F140-K319 HydrophobicContact CE1-CD 3.73Å; F140-K319 HydrophobicContact CE1-CG 4.44Å; F140-K319 HydrophobicContact CZ-CB 3.69Å; F140-K319 HydrophobicContact CZ-CD 4.46Å; D315-K319 VanDerWaalsContact O-CB 3.32Å; D315-K319 WeakPolarHBondContact O-CB 3.18Å; D315-K319 WeakPolarHBondContact O-CG 3.33Å; D315-K319 PolarHBondContact O-N 3.47Å; D315-K319 WeakPolarHBondContact OD1-CE 3.38Å; D315-K319 IonicContact OD1-NZ 3.34Å; D315-K319 PolarHBondContact OD1-NZ 3.48Å; D315-K319 WeakPolarHBondContact OD2-CD 3.47Å; D315-K319 VanDerWaalsContact OD2-CE 3.27Å; D315-K319 WeakPolarHBondContact OD2-CE 3.37Å; D315-K319 IonicContact OD2-NZ 2.72Å; D315-K319 PolarHBondContact OD2-NZ 3.41Å; K319-I322 PolarHBondContact O-N 3Å; K319-I323 PolarHBondContact O-N 2.93Å; K319-Y631 HydrophobicContact CG-CE1 4.48Å; K319-L634 HydrophobicContact CD-CD1 4.39Å; K319-L634 HydrophobicContact CG-CD1 4.01Å
320	T	98.2	Very high	96.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-44.3	174.5	-56.6	0	0	0	0	111.6	I117 L123 F140 L316 I317 I318 I322 I323 F438 L450 V453	I117-T320 HydrophobicContact CB-CG2 4.39Å; I117-T320 HydrophobicContact CD1-CG2 4.22Å; I117-T320 HydrophobicContact CG2-CG2 4.26Å; L123-T320 HydrophobicContact CD1-CG2 4.39Å; F140-T320 WeakPolarHBondContact CE2-OG1 3.26Å; L316-T320 VanDerWaalsContact O-CB 3.32Å; L316-T320 WeakPolarHBondContact O-CB 3.39Å; L316-T320 PolarHBondContact O-N 3.3Å; L316-T320 PolarHBondContact O-OG1 3.03Å; I317-T320 PolarHBondContact O-N 2.99Å; I318-T320 VanDerWaalsContact C-N 3.27Å; I318-T320 PolarHBondContact O-N 2.84Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.38Å; T320-I323 VanDerWaalsContact O-CB 3.29Å; T320-I323 WeakPolarHBondContact O-CB 3.33Å; T320-I323 PolarHBondContact O-N 2.93Å; T320-F438 HydrophobicContact CG2-CE1 3.88Å; T320-F438 HydrophobicContact CG2-CZ 4.27Å; T320-L450 HydrophobicContact CG2-CD2 3.92Å; T320-V453 HydrophobicContact CG2-CG2 4.05Å
321	L	98.2	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.5	-26.5	177.9	-79.5	161.9	0	0	0	113.1	M114 I117 V225 V227 I235 I317 I318 I323 A324 L325 L436 F438	M114-L321 HydrophobicContact CE-CD2 4.29Å; M114-L321 HydrophobicContact SD-CD2 4.12Å; I117-L321 HydrophobicContact CD1-CD2 3.83Å; I117-L321 HydrophobicContact CD1-CG 4.41Å; V225-L321 HydrophobicContact CG1-CD1 4.11Å; V227-L321 HydrophobicContact CG2-CD1 3.95Å; V227-L321 HydrophobicContact CG2-CD2 3.95Å; I235-L321 HydrophobicContact CD1-CB 3.85Å; I235-L321 HydrophobicContact CD1-CD1 3.6Å; I235-L321 HydrophobicContact CD1-CG 4.36Å; I235-L321 HydrophobicContact CG1-CD1 3.89Å; I235-L321 HydrophobicContact CG2-CD1 3.79Å; I317-L321 HydrophobicContact CG2-CD1 4.19Å; I317-L321 PolarHBondContact O-N 3.12Å; I318-L321 PolarHBondContact O-N 3.25Å; I318-L321 VanDerWaalsContact O-N 3.11Å; L321-I323 VanDerWaalsContact C-N 3.26Å; L321-I323 PolarHBondContact O-N 3.01Å; L321-A324 PolarHBondContact O-N 2.77Å; L321-L325 PolarHBondContact O-N 3.11Å; L321-L436 HydrophobicContact CD2-CD1 3.95Å; L321-F438 HydrophobicContact CD1-CZ 4.46Å; L321-F438 HydrophobicContact CG-CZ 4.42Å
322	I	97.5	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-29.6	170.4	-70.7	171.1	0	0	0	112.2	I318 K319 T320 Y631 L634 I635 S638	I318-I322 HydrophobicContact CG2-CD1 3.82Å; I318-I322 HydrophobicContact CG2-CG1 4.4Å; I318-I322 VanDerWaalsContact O-CG1 3.3Å; I318-I322 WeakPolarHBondContact O-CG1 3.22Å; I318-I322 PolarHBondContact O-N 2.91Å; K319-I322 PolarHBondContact O-N 3Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.38Å; I322-Y631 HydrophobicContact CD1-CD1 4.21Å; I322-L634 HydrophobicContact CD1-CB 4.29Å; I322-L634 HydrophobicContact CG2-CB 4.24Å; I322-I635 HydrophobicContact CB-CG1 4.41Å; I322-I635 HydrophobicContact CD1-CD1 4.42Å; I322-I635 HydrophobicContact CD1-CG1 3.92Å; I322-I635 HydrophobicContact CG1-CD1 4.28Å; I322-I635 HydrophobicContact CG1-CG1 3.69Å; I322-I635 HydrophobicContact CG2-CG1 4Å; I322-S638 WeakPolarHBondContact O-CB 3.33Å; I322-S638 PolarHBondContact O-OG 3.08Å
323	I	96.2	Very high	95.1	Very high	6 Å²	6	16.3 Å²	16.3	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-45	172.3	-58.4	168.8	0	0	0	110.4	I117 N126 F127 M130 Y138 K319 T320 L321	I117-I323 HydrophobicContact CG2-CB 4.21Å; I117-I323 HydrophobicContact CG2-CG2 4.29Å; N126-I323 HydrophobicContact CB-CG2 3.31Å; F127-I323 HydrophobicContact CB-CD1 4.2Å; F127-I323 HydrophobicContact CD2-CD1 3.87Å; F127-I323 HydrophobicContact CG-CD1 4.44Å; M130-I323 HydrophobicContact CG-CG1 4.1Å; Y138-I323 HydrophobicContact CD1-CD1 4.32Å; Y138-I323 HydrophobicContact CE1-CD1 3.83Å; Y138-I323 HydrophobicContact CE1-CG1 3.77Å; K319-I323 PolarHBondContact O-N 2.93Å; T320-I323 VanDerWaalsContact O-CB 3.29Å; T320-I323 WeakPolarHBondContact O-CB 3.33Å; T320-I323 PolarHBondContact O-N 2.93Å; L321-I323 VanDerWaalsContact C-N 3.26Å; L321-I323 PolarHBondContact O-N 3.01Å
324	A	95.9	Very high	94.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-74.8	-27	-178.3	0	0	0	0	0	113.6	I117 L321 H327 L328	I117-A324 HydrophobicContact CD1-CB 4.15Å; I117-A324 HydrophobicContact CG1-CB 4.15Å; I117-A324 HydrophobicContact CG2-CB 3.94Å; L321-A324 PolarHBondContact O-N 2.77Å; A324-H327 WeakPolarHBondContact O-CB 3.44Å; A324-H327 PolarHBondContact O-N 3.49Å; A324-L328 HydrophobicContact CB-CD1 3.82Å; A324-L328 HydrophobicContact CB-CG 4.06Å; A324-L328 WeakPolarHBondContact O-CG 3.12Å; A324-L328 PolarHBondContact O-N 3.42Å
325	L	96.2	Very high	93.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-51.5	-43.3	-165.7	-175.8	62.5	0	0	0	115.7	C230 L233 L321 H327 L328 I329 I635 F639 Y658	C230-L325 HydrophobicContact CB-CD1 4.38Å; C230-L325 WeakPolarHBondContact O-CD1 3.38Å; L233-L325 HydrophobicContact CB-CD1 3.94Å; L233-L325 HydrophobicContact CB-CD2 4.43Å; L233-L325 HydrophobicContact CD1-CD1 4.33Å; L233-L325 HydrophobicContact CD2-CD1 4.12Å; L233-L325 HydrophobicContact CD2-CD2 4.03Å; L233-L325 HydrophobicContact CG-CD1 4.36Å; L321-L325 PolarHBondContact O-N 3.11Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 2.78Å; L325-L328 PolarHBondContact O-N 2.92Å; L325-I329 HydrophobicContact CD1-CD1 3.66Å; L325-I329 HydrophobicContact CD1-CG1 3.94Å; L325-I329 HydrophobicContact CG-CD1 3.95Å; L325-I329 WeakPolarHBondContact O-CB 3.25Å; L325-I329 PolarHBondContact O-N 3.01Å; L325-I635 HydrophobicContact CD2-CD1 3.95Å; L325-I635 HydrophobicContact CD2-CG1 3.88Å; L325-I635 HydrophobicContact CD2-CG2 3.91Å; L325-F639 HydrophobicContact CD2-CE2 4.2Å; L325-F639 HydrophobicContact CG-CE2 4.1Å; L325-Y658 HydrophobicContact CD2-CE2 4.35Å
326	P	94.2	Very high	92.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-38.7	178.2	-22.1	34.3	0	0	0	113.1	H330 S638 F639 F642	P326-H330 VanDerWaalsContact O-CB 3.25Å; P326-H330 WeakPolarHBondContact O-CB 3.46Å; P326-H330 PolarHBondContact O-N 3.08Å; P326-S638 WeakPolarHBondContact CD-OG 3.38Å; P326-S638 VanDerWaalsContact CG-OG 3.26Å; P326-S638 WeakPolarHBondContact CG-OG 3.46Å; P326-F639 HydrophobicContact CB-CD1 4.1Å; P326-F639 HydrophobicContact CB-CD2 4.49Å; P326-F639 HydrophobicContact CB-CE1 3.92Å; P326-F639 HydrophobicContact CB-CE2 4.34Å; P326-F639 HydrophobicContact CB-CG 4.39Å; P326-F639 HydrophobicContact CB-CZ 4.05Å; P326-F639 HydrophobicContact CG-CD1 4.34Å; P326-F639 HydrophobicContact CG-CD2 3.96Å; P326-F639 HydrophobicContact CG-CE1 4.41Å; P326-F639 HydrophobicContact CG-CE2 4.04Å; P326-F639 HydrophobicContact CG-CG 4.13Å; P326-F639 HydrophobicContact CG-CZ 4.26Å; P326-F642 HydrophobicContact CB-CB 3.59Å; P326-F642 HydrophobicContact CB-CD1 3.62Å; P326-F642 HydrophobicContact CB-CD2 3.75Å; P326-F642 HydrophobicContact CB-CE1 4.2Å; P326-F642 HydrophobicContact CB-CE2 4.3Å; P326-F642 HydrophobicContact CB-CG 3.37Å; P326-F642 HydrophobicContact CG-CB 4Å; P326-F642 HydrophobicContact CG-CG 4.3Å
327	H	93.2	Very high	90.2	Very high	24 Å²	24	23.8 Å²	23.8	11%	0.111	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-44.1	177.8	-64	-121	0	0	0	110.6	E116 A324 L325 H330 F331 F642	E116-H327 HydrophobicContact CG-CB 3.92Å; E116-H327 WeakPolarHBondContact CG-ND1 3.2Å; E116-H327 IonicContact OE1-CE1 3.6Å; E116-H327 PolarHBondContact OE1-CE1 3.32Å; E116-H327 IonicContact OE1-CG 3.82Å; E116-H327 IonicContact OE1-ND1 2.65Å; E116-H327 PolarHBondContact OE1-ND1 3.41Å; E116-H327 IonicContact OE2-CE1 2.69Å; E116-H327 IonicContact OE2-ND1 3.76Å; A324-H327 WeakPolarHBondContact O-CB 3.44Å; A324-H327 PolarHBondContact O-N 3.49Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-H327 PolarHBondContact O-N 2.78Å; H327-H330 PolarHBondContact O-N 3.16Å; H327-F331 HydrophobicContact CB-CE2 4.43Å; H327-F331 WeakPolarHBondContact O-CD2 3.4Å; H327-F331 PolarHBondContact O-N 2.95Å; H327-F642 AromaticContact CD2-CD2 3.51Å; H327-F642 AromaticContact CD2-CE2 3.53Å; H327-F642 AromaticContact CE1-CE2 3.87Å; H327-F642 AromaticContact CG-CE2 3.76Å; H327-F642 AromaticContact ND1-CE2 3.95Å; H327-F642 AromaticContact NE2-CD2 3.42Å; H327-F642 WeakPolarHBondContact NE2-CD2 3.14Å; H327-F642 AromaticContact NE2-CE2 3.6Å
328	L	93.6	Very high	87.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.7	-53	176	-66.1	173.9	0	0	0	111.2	F111 M114 C230 A324 L325 H330 Y332	F111-L328 HydrophobicContact CB-CD2 3.71Å; F111-L328 HydrophobicContact CG-CD2 4.44Å; M114-L328 HydrophobicContact CB-CD2 4.12Å; M114-L328 HydrophobicContact CE-CD1 3.95Å; M114-L328 HydrophobicContact CE-CD2 3.87Å; M114-L328 HydrophobicContact SD-CD1 4.3Å; M114-L328 HydrophobicContact SD-CD2 4.15Å; C230-L328 HydrophobicContact CB-CB 4.06Å; A324-L328 HydrophobicContact CB-CD1 3.82Å; A324-L328 HydrophobicContact CB-CG 4.06Å; A324-L328 WeakPolarHBondContact O-CG 3.12Å; A324-L328 PolarHBondContact O-N 3.42Å; L325-L328 PolarHBondContact O-N 2.92Å; L328-H330 VanDerWaalsContact C-N 3.33Å; L328-H330 PolarHBondContact O-N 2.98Å; L328-Y332 WeakPolarHBondContact O-CB 3.29Å; L328-Y332 PolarHBondContact O-N 3.33Å
329	I	92.6	Very high	85.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-40.6	179.4	-75.6	177.5	0	0	0	111.3	C230 D231 L325 R333 F639 I654	C230-I329 HydrophobicContact CB-CG1 4.49Å; C230-I329 WeakPolarHBondContact O-CD1 3.2Å; C230-I329 WeakPolarHBondContact O-CG1 3.35Å; D231-I329 HydrophobicContact CB-CG1 4.35Å; L325-I329 HydrophobicContact CD1-CD1 3.66Å; L325-I329 HydrophobicContact CD1-CG1 3.94Å; L325-I329 HydrophobicContact CG-CD1 3.95Å; L325-I329 WeakPolarHBondContact O-CB 3.25Å; L325-I329 PolarHBondContact O-N 3.01Å; I329-R333 HydrophobicContact CG2-CG 4.38Å; I329-R333 WeakPolarHBondContact O-CB 3.41Å; I329-R333 VanDerWaalsContact O-CG 3.28Å; I329-R333 WeakPolarHBondContact O-CG 3.49Å; I329-R333 PolarHBondContact O-N 3.07Å; I329-F639 HydrophobicContact CB-CZ 4.34Å; I329-F639 HydrophobicContact CD1-CE2 4.36Å; I329-F639 HydrophobicContact CD1-CZ 3.92Å; I329-F639 HydrophobicContact CG2-CZ 4.45Å; I329-I654 HydrophobicContact CD1-CD1 3.76Å
330	H	89.7	Confident	81.9	Confident	87 Å²	87	34.4 Å²	34.4	40%	0.403	17%	0.168	S	C	.	.	H	α-helix	trans	-59.1	-56.7	177.8	177.9	78.7	0	0	0	112.3	P326 H327 L328 Y332 R333 I334 F642	P326-H330 VanDerWaalsContact O-CB 3.25Å; P326-H330 WeakPolarHBondContact O-CB 3.46Å; P326-H330 PolarHBondContact O-N 3.08Å; H327-H330 PolarHBondContact O-N 3.16Å; L328-H330 VanDerWaalsContact C-N 3.33Å; L328-H330 PolarHBondContact O-N 2.98Å; H330-Y332 PolarHBondContact O-N 3Å; H330-R333 PolarHBondContact O-N 3.29Å; H330-I334 WeakPolarHBondContact NE2-CD1 3.44Å; H330-I334 WeakPolarHBondContact O-CG1 3.38Å; H330-I334 PolarHBondContact O-N 2.99Å; H330-I334 VanDerWaalsContact O-N 3.17Å; H330-F642 HydrophobicContact CB-CZ 4.15Å
331	F	89.3	Confident	78.7	Confident	62 Å²	62	40.2 Å²	40.2	27%	0.272	20%	0.2	S	C	.	.	H	α-helix	trans	-67.8	-35.9	-179	-67.1	-64.4	0	0	0	112.7	P112 H327 I334 S335	P112-F331 HydrophobicContact CB-CB 3.73Å; P112-F331 HydrophobicContact CB-CG 4.36Å; P112-F331 HydrophobicContact CG-CB 3.69Å; H327-F331 HydrophobicContact CB-CE2 4.43Å; H327-F331 WeakPolarHBondContact O-CD2 3.4Å; H327-F331 PolarHBondContact O-N 2.95Å; F331-I334 PolarHBondContact O-N 2.84Å; F331-S335 WeakPolarHBondContact O-CB 3.17Å; F331-S335 PolarHBondContact O-N 3.05Å; F331-S335 PolarHBondContact O-OG 2.94Å
332	Y	89.3	Confident	75.4	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-44.2	177.3	-173.8	-102.6	0	0	0	112.8	F111 D231 L328 H330 S335 R336 S430 L432	F111-Y332 HydrophobicContact CD1-CD2 4.11Å; F111-Y332 HydrophobicContact CD1-CE2 4.4Å; F111-Y332 HydrophobicContact CE1-CD2 4.16Å; F111-Y332 HydrophobicContact CE1-CE2 4.02Å; D231-Y332 HydrophobicContact CB-CD1 4.21Å; D231-Y332 HydrophobicContact CB-CE1 4.16Å; L328-Y332 WeakPolarHBondContact O-CB 3.29Å; L328-Y332 PolarHBondContact O-N 3.33Å; H330-Y332 PolarHBondContact O-N 3Å; Y332-S335 WeakPolarHBondContact O-CB 3.23Å; Y332-S335 PolarHBondContact O-N 2.86Å; Y332-R336 PolarHBondContact O-N 3Å; Y332-R336 VanDerWaalsContact OH-CZ 3.27Å; Y332-R336 PolarHBondContact OH-NH1 3.1Å; Y332-S430 VanDerWaalsContact OH-CA 3.23Å; Y332-S430 WeakPolarHBondContact OH-CA 3.29Å; Y332-S430 WeakPolarHBondContact OH-CB 3.5Å; Y332-S430 PolarHBondContact OH-OG 2.85Å; Y332-L432 HydrophobicContact CD2-CD1 3.9Å; Y332-L432 HydrophobicContact CD2-CG 4.43Å; Y332-L432 HydrophobicContact CE2-CB 4.3Å; Y332-L432 HydrophobicContact CE2-CD1 4.16Å; Y332-L432 HydrophobicContact CE2-CG 4.18Å
333	R	87.1	Confident	72	Confident	53 Å²	53	56 Å²	56	20%	0.2	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-41.2	178.1	-72.2	177.6	174	-147.2	-3.9	112.1	D231 I329 H330 S335 R336 H337 E653	D231-R333 VanDerWaalsContact CG-NH2 3.33Å; D231-R333 IonicContact OD1-CZ 3.93Å; D231-R333 IonicContact OD1-NE 3.22Å; D231-R333 IonicContact OD1-NH2 3.15Å; D231-R333 PolarHBondContact OD1-NH2 2.97Å; D231-R333 IonicContact OD2-CZ 2.73Å; D231-R333 VanDerWaalsContact OD2-CZ 3.29Å; D231-R333 IonicContact OD2-NE 2.98Å; D231-R333 PolarHBondContact OD2-NE 2.84Å; D231-R333 IonicContact OD2-NH2 2.76Å; D231-R333 PolarHBondContact OD2-NH2 3.36Å; I329-R333 HydrophobicContact CG2-CG 4.38Å; I329-R333 WeakPolarHBondContact O-CB 3.41Å; I329-R333 VanDerWaalsContact O-CG 3.28Å; I329-R333 WeakPolarHBondContact O-CG 3.49Å; I329-R333 PolarHBondContact O-N 3.07Å; H330-R333 PolarHBondContact O-N 3.29Å; R333-S335 VanDerWaalsContact C-N 3.27Å; R333-S335 PolarHBondContact O-N 3.36Å; R333-R336 PolarHBondContact O-N 3Å; R333-H337 PolarHBondContact O-CD2 3.46Å; R333-H337 PolarHBondContact O-N 3.41Å; R333-E653 IonicContact CZ-OE1 3.82Å; R333-E653 IonicContact CZ-OE2 2.78Å; R333-E653 VanDerWaalsContact NH1-CD 3.25Å; R333-E653 IonicContact NH1-OE1 2.71Å; R333-E653 PolarHBondContact NH1-OE1 3.48Å; R333-E653 VanDerWaalsContact NH1-OE1 3.12Å; R333-E653 IonicContact NH1-OE2 2.88Å; R333-E653 PolarHBondContact NH1-OE2 2.95Å; R333-E653 IonicContact NH2-OE1 3.19Å; R333-E653 PolarHBondContact NH2-OE1 3.36Å; R333-E653 IonicContact NH2-OE2 3.71Å
334	I	83.1	Confident	68.8	Low	64 Å²	64	66.1 Å²	66.1	33%	0.328	32%	0.318	S	S	.	.	H	α-helix	trans	-55.2	-45.2	170.7	-71.8	169.7	0	0	0	110.7	M100 H330 F331 R336 H337	M100-I334 HydrophobicContact CE-CG2 4.43Å; H330-I334 WeakPolarHBondContact NE2-CD1 3.44Å; H330-I334 WeakPolarHBondContact O-CG1 3.38Å; H330-I334 PolarHBondContact O-N 2.99Å; H330-I334 VanDerWaalsContact O-N 3.17Å; F331-I334 PolarHBondContact O-N 2.84Å; I334-R336 VanDerWaalsContact C-N 3.29Å; I334-R336 PolarHBondContact O-N 3.48Å; I334-H337 PolarHBondContact O-N 3.02Å
335	S	78.1	Confident	65.6	Low	13 Å²	13	72.2 Å²	72.2	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-34.8	-178.7	-58.8	0	0	0	0	113.2	F331 Y332 R333	F331-S335 WeakPolarHBondContact O-CB 3.17Å; F331-S335 PolarHBondContact O-N 3.05Å; F331-S335 PolarHBondContact O-OG 2.94Å; Y332-S335 WeakPolarHBondContact O-CB 3.23Å; Y332-S335 PolarHBondContact O-N 2.86Å; R333-S335 VanDerWaalsContact C-N 3.27Å; R333-S335 PolarHBondContact O-N 3.36Å
336	R	70.8	Confident	62.1	Low	64 Å²	64	78.9 Å²	78.9	24%	0.242	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.1	-177.8	-80.4	-176.9	151.8	-169.7	-7.7	115.5	Y332 R333 I334 K338 M428 Y429 N431	Y332-R336 PolarHBondContact O-N 3Å; Y332-R336 VanDerWaalsContact OH-CZ 3.27Å; Y332-R336 PolarHBondContact OH-NH1 3.1Å; R333-R336 PolarHBondContact O-N 3Å; I334-R336 VanDerWaalsContact C-N 3.29Å; I334-R336 PolarHBondContact O-N 3.48Å; R336-K338 PolarHBondContact O-N 3.14Å; R336-M428 PolarHBondContact NH1-O 2.88Å; R336-M428 PolarHBondContact NH2-O 3.43Å; R336-Y429 PolarHBondContact NH2-O 2.86Å; R336-N431 PolarHBondContact NE-OD1 3.02Å; R336-N431 VanDerWaalsContact NE-OD1 3.08Å; R336-N431 PolarHBondContact NH2-OD1 3.47Å
337	H	56.7	Low	58.9	Low	107 Å²	107	84.7 Å²	84.7	50%	0.495	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.3	-170.2	-81.9	-28.7	0	0	0	117.1	R333 I334 S339	R333-H337 PolarHBondContact O-CD2 3.46Å; R333-H337 PolarHBondContact O-N 3.41Å; I334-H337 PolarHBondContact O-N 3.02Å; H337-S339 PolarHBondContact O-N 3.23Å
338	K	48.3	Very low	55.7	Low	116 Å²	116	89.3 Å²	89.3	50%	0.504	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23	-174.3	-74.5	-171.4	-176.9	169.6	0	116.2	M100 R336 S340 N341	M100-K338 VanDerWaalsContact O-CD 3.31Å; M100-K338 WeakPolarHBondContact O-CD 3.35Å; M100-K338 VanDerWaalsContact O-CE 3.23Å; M100-K338 WeakPolarHBondContact O-CE 3.33Å; M100-K338 PolarHBondContact O-NZ 3.45Å; R336-K338 PolarHBondContact O-N 3.14Å; K338-S340 PolarHBondContact O-N 2.68Å; K338-N341 PolarHBondContact O-N 3.19Å
339	S	40.9	Very low	52.6	Low	83 Å²	83	95.5 Å²	95.5	58%	0.58	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	30.5	-171.9	-41.8	0	0	0	0	116.4	H337 R502	H337-S339 PolarHBondContact O-N 3.23Å; S339-R502 PolarHBondContact O-NH1 2.93Å; S339-R502 PolarHBondContact O-NH2 3.32Å
340	S	31.6	Very low	49.5	Very low	34 Å²	34	100.7 Å²	100.7	24%	0.238	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	-8	177.9	62.7	0	0	0	0	117.3	K338 K424	K338-S340 PolarHBondContact O-N 2.68Å; S340-K424 WeakPolarHBondContact OG-CE 3.02Å; S340-K424 PolarHBondContact OG-NZ 2.86Å
341	N	30.4	Very low	46.6	Very low	122 Å²	122	102.8 Å²	102.8	65%	0.652	54%	0.544	S	S	*	.			trans	-117.6	8.8	-162.3	-82.1	56.7	0	0	0	115.6	K338	K338-N341 PolarHBondContact O-N 3.19Å
342	Q	28.5	Very low	43.7	Very low	176 Å²	176	105.4 Å²	105.4	82%	0.822	57%	0.566	S	S	*	*	S	Bend	trans	-81.2	147.1	159.5	-74.3	168.5	-35.9	0	0	109.1
343	N	26.5	Very low	40.9	Very low	155 Å²	155	110.8 Å²	110.8	83%	0.829	60%	0.599	S	S	*	*			trans	79.1	39.8	-178.3	-53.1	2.5	0	0	0	117.1
344	Y	29.5	Very low	38.1	Very low	220 Å²	220	114.6 Å²	114.6	86%	0.863	63%	0.628	S	S	*	*			trans	-117.9	84.3	149.9	-87.2	-74.4	0	0	0	111.3
345	I	27	Very low	35.5	Very low	128 Å²	128	116.8 Å²	116.8	66%	0.656	65%	0.645	S	S	*	*			trans	22.4	103.4	145.4	-57.4	170.4	0	0	0	116.4	T347	I345-T347 PolarHBondContact O-N 2.73Å; I345-T347 PolarHBondContact O-OG1 2.76Å; I345-T347 VanDerWaalsContact O-OG1 3.12Å
346	T	24.1	Very low	33.2	Very low	140 Å²	140	122.8 Å²	122.8	86%	0.859	68%	0.681	S	S	*	*			trans	-3.1	91.5	133.3	-41	0	0	0	0	114.8
347	T	26.2	Very low	31.3	Very low	125 Å²	125	125.9 Å²	125.9	77%	0.767	71%	0.708	S	S	*	*			trans	-125.1	118.2	168.8	20.5	0	0	0	0	109.4	I345 T349	I345-T347 PolarHBondContact O-N 2.73Å; I345-T347 PolarHBondContact O-OG1 2.76Å; I345-T347 VanDerWaalsContact O-OG1 3.12Å; T347-T349 PolarHBondContact O-N 3.15Å
348	T	25.6	Very low	30.1	Very low	121 Å²	121	126.8 Å²	126.8	74%	0.742	72%	0.721	S	S	*	*			trans	-67.6	109.3	-173.8	36.9	0	0	0	0	112.1
349	T	28.9	Very low	29.2	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	73%	0.73	S	S	*	*			trans	-101.2	68.2	156.6	54.7	0	0	0	0	110.1	T347 T351	T347-T349 PolarHBondContact O-N 3.15Å; T349-T351 VanDerWaalsContact C-N 3.31Å; T349-T351 PolarHBondContact O-N 2.98Å
350	T	27.4	Very low	28.9	Very low	110 Å²	110	129.8 Å²	129.8	68%	0.675	74%	0.74	S	S	*	*			trans	-65.4	93.9	157.5	39	0	0	0	0	108.2	T352	T350-T352 PolarHBondContact O-N 2.95Å
351	T	29.5	Very low	28.9	Very low	131 Å²	131	132.8 Å²	132.8	80%	0.804	76%	0.761	S	S	*	*			trans	-72.8	82.5	167.1	48.5	0	0	0	0	108.8	T349 T353	T349-T351 VanDerWaalsContact C-N 3.31Å; T349-T351 PolarHBondContact O-N 2.98Å; T351-T353 PolarHBondContact O-N 3.28Å; T351-T353 VanDerWaalsContact O-N 3.12Å
352	T	27.7	Very low	28.9	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	76%	0.763	S	S	*	*			trans	-65.1	106.3	169.6	28.9	0	0	0	0	109.3	T350 T354	T350-T352 PolarHBondContact O-N 2.95Å; T352-T354 PolarHBondContact O-N 3.13Å
353	T	30.2	Very low	29.2	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.724	75%	0.754	S	S	*	*			trans	-62.6	113.2	165	44	0	0	0	0	108.9	T351 T355	T351-T353 PolarHBondContact O-N 3.28Å; T351-T353 VanDerWaalsContact O-N 3.12Å; T353-T355 PolarHBondContact O-N 3.46Å
354	T	28.9	Very low	29.4	Very low	133 Å²	133	129 Å²	129	82%	0.816	75%	0.747	S	S	*	*			trans	-74.1	70.9	173.3	35.4	0	0	0	0	111.1	T352 T356	T352-T354 PolarHBondContact O-N 3.13Å; T354-T356 PolarHBondContact O-N 3.07Å
355	T	29.8	Very low	29.5	Very low	111 Å²	111	124.7 Å²	124.7	68%	0.681	74%	0.738	S	S	*	*			trans	-73.8	111.6	163.8	46.2	0	0	0	0	109.2	T353 T357	T353-T355 PolarHBondContact O-N 3.46Å; T355-T357 PolarHBondContact O-N 2.79Å; T355-T357 VanDerWaalsContact O-N 3.16Å
356	T	28.5	Very low	29.6	Very low	138 Å²	138	126 Å²	126	85%	0.847	74%	0.739	S	S	*	*			trans	-76.9	93.3	176.5	48.8	0	0	0	0	111.3	T354	T354-T356 PolarHBondContact O-N 3.07Å
357	T	31.5	Very low	29.9	Very low	130 Å²	130	127.1 Å²	127.1	80%	0.798	73%	0.734	S	S	*	*			trans	-138.8	147.3	162.9	37.7	0	0	0	0	110.9	T355	T355-T357 PolarHBondContact O-N 2.79Å; T355-T357 VanDerWaalsContact O-N 3.16Å
358	T	31.5	Very low	29.9	Very low	125 Å²	125	125.8 Å²	125.8	77%	0.767	73%	0.73	S	S	*	*			trans	-87.9	146.5	-169.9	43.4	0	0	0	0	113.6
359	T	30.3	Very low	30	Very low	115 Å²	115	124.7 Å²	124.7	71%	0.706	73%	0.728	S	S	*	*			trans	62.1	125.6	147.1	52.4	0	0	0	0	121
360	N	32.9	Very low	29.8	Very low	148 Å²	148	128.3 Å²	128.3	79%	0.791	73%	0.732	S	S	*	*			trans	85.3	95.6	136.2	-63.2	-1.9	0	0	0	121.6
361	S	31.3	Very low	29.7	Very low	96 Å²	96	132 Å²	132	67%	0.671	74%	0.742	S	S	*	*				88.5	113.2	103.3	-147.8	0	0	0	0	120.9
362	N	32.1	Very low	29.5	Very low	130 Å²	130	132.2 Å²	132.2	70%	0.695	75%	0.748	S	S	*	*				79.3	119.6	129.9	-74.2	3.2	0	0	0	123.6
363	N	34	Very low	29.3	Very low	117 Å²	117	129.8 Å²	129.8	63%	0.626	75%	0.747	S	S	*	*				93.7	96.7	123.6	-67.7	-10.4	0	0	0	122.4
364	N	30.9	Very low	28.9	Very low	128 Å²	128	135.1 Å²	135.1	68%	0.684	76%	0.755	S	S	*	*				84.4	135.5	110.5	-62.3	-20	0	0	0	123
365	N	30.9	Very low	28.8	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	75%	0.753	S	S	*	*			trans	96.7	115.3	136.5	-78.5	-29.5	0	0	0	122.6
366	K	30.1	Very low	28.6	Very low	157 Å²	157	136.9 Å²	136.9	68%	0.683	75%	0.746	S	S	*	*				91.5	128.1	121.6	-80.3	179.3	175.6	-173.9	0	122
367	H	30.8	Very low	28.5	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.755	75%	0.748	S	S	*	*			trans	65.9	151.1	150.2	-57.3	-46.6	0	0	0	117.6
368	S	26.1	Very low	28.2	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	74%	0.739	S	S	*	*			cis	-164.3	154.6	-16.8	44.6	0	0	0	0	112.8
369	S	26.8	Very low	27.8	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	74%	0.738	S	S	*	*			trans	60.6	116.1	147.2	62	0	0	0	0	123.2
370	K	25.2	Very low	27.5	Very low	204 Å²	204	145 Å²	145	89%	0.887	75%	0.748	S	S	*	*			trans	80.8	148.1	132.5	-69.4	179.6	178.1	178	0	121.6
371	Q	25	Very low	27.1	Very low	188 Å²	188	142 Å²	142	88%	0.879	74%	0.739	S	S	*	*			trans	78.6	130	161.1	-76.3	-177.6	-16.1	0	0	121.2
372	S	24.4	Very low	26.8	Very low	135 Å²	135	142.3 Å²	142.3	94%	0.944	74%	0.737	S	S	*	*			trans	67.3	160.8	159.4	-150.3	0	0	0	0	118.8
373	G	24.2	Very low	26.5	Very low	66 Å²	66	145.7 Å²	145.7	68%	0.68	75%	0.751	S	S	*	*			trans	110.2	88	173.5	0	0	0	0	0	115.6	H375	G373-H375 PolarHBondContact O-N 3.18Å
374	Y	22.1	Very low	26.1	Very low	231 Å²	231	146 Å²	146	91%	0.906	75%	0.752	S	S	*	*			trans	-61	127.1	150.8	-76.4	-105.5	0	0	0	108.3
375	H	26.6	Very low	25.9	Very low	166 Å²	166	147.3 Å²	147.3	77%	0.769	76%	0.759	S	S	*	*			trans	-163.4	127.9	147.3	-112.3	42.9	0	0	0	115.8	G373	G373-H375 PolarHBondContact O-N 3.18Å
376	Q	25.6	Very low	25.7	Very low	114 Å²	114	150.3 Å²	150.3	53%	0.533	77%	0.766	S	S	.	*			trans	43.2	103.8	144.5	-54.7	-172.2	51.3	0	0	120.3
377	V	25.5	Very low	25.4	Very low	146 Å²	146	149.8 Å²	149.8	89%	0.885	77%	0.766	S	S	*	*			trans	-108.8	106.1	132.9	178.2	0	0	0	0	107.6
378	K	25	Very low	25.2	Very low	140 Å²	140	151.2 Å²	151.2	61%	0.609	77%	0.771	S	S	*	*			trans	-84.8	171.4	167	-77.8	169.3	173.3	154.9	0	109.4
379	Q	23.9	Very low	25	Very low	161 Å²	161	153.3 Å²	153.3	75%	0.752	77%	0.772	S	S	*	*			trans	77.7	110.1	-163.5	-48.5	170.7	23.6	0	0	110.1
380	Y	25	Very low	25.1	Very low	231 Å²	231	158.2 Å²	158.2	91%	0.906	78%	0.781	S	S	*	*	S	Bend	cis	-115.2	105.1	22.4	-62.9	-95.3	0	0	0	112.9
381	S	23	Very low	25.1	Very low	87 Å²	87	155.6 Å²	155.6	61%	0.608	78%	0.776	S	S	*	*	S	Bend	trans	-140.7	39.2	172	52.1	0	0	0	0	111.3
382	T	25.6	Very low	25.3	Very low	101 Å²	101	154.1 Å²	154.1	62%	0.62	78%	0.775	S	S	*	*			trans	-162.4	86.8	178	-7.7	0	0	0	0	112.4	N384	T382-N384 HydrophobicContact CG2-CB 4.14Å; T382-N384 VanDerWaalsContact CG2-CG 3.49Å
383	M	24.7	Very low	25.5	Very low	201 Å²	201	156.6 Å²	156.6	99%	0.99	77%	0.771	S	S	*	*				-114.1	76.4	129.6	-89.5	-154.8	167.1	0	0	107.1
384	N	26.2	Very low	25.9	Very low	123 Å²	123	158.4 Å²	158.4	66%	0.658	77%	0.771	S	S	*	*			trans	-59.4	160.5	169.5	-78.6	-1.9	0	0	0	110.2	T382 K386	T382-N384 HydrophobicContact CG2-CB 4.14Å; T382-N384 VanDerWaalsContact CG2-CG 3.49Å; N384-K386 PolarHBondContact O-N 3.29Å
385	N	26.5	Very low	26.3	Very low	156 Å²	156	156.4 Å²	156.4	83%	0.834	77%	0.767	S	S	*	*			trans	-37.5	105.9	159.1	-58.5	-37.4	0	0	0	111.1	Q387	N385-Q387 VanDerWaalsContact C-N 3.28Å; N385-Q387 PolarHBondContact O-N 3.13Å
386	K	26.6	Very low	26.3	Very low	191 Å²	191	157.5 Å²	157.5	83%	0.83	77%	0.772	S	S	*	*			trans	-70.6	98.7	151.1	-93.7	-162.1	172.5	-171.6	0	106.4	N384 F388	N384-K386 PolarHBondContact O-N 3.29Å; K386-F388 PolarHBondContact O-N 2.97Å; K386-F388 VanDerWaalsContact O-N 3.08Å
387	Q	25.3	Very low	26.7	Very low	147 Å²	147	157.4 Å²	157.4	69%	0.687	78%	0.781	S	S	*	*			trans	-55.2	112.7	161.2	-69.3	162.3	-60.3	0	0	107.7	N385 M389	N385-Q387 VanDerWaalsContact C-N 3.28Å; N385-Q387 PolarHBondContact O-N 3.13Å; Q387-M389 VanDerWaalsContact C-N 3.27Å; Q387-M389 HydrophobicContact CB-CG 4.35Å; Q387-M389 PolarHBondContact O-N 3.45Å
388	F	24.9	Very low	26.7	Very low	192 Å²	192	156.4 Å²	156.4	84%	0.842	78%	0.781	S	S	*	*			trans	-88.5	82.1	143.4	-86.9	-79.9	0	0	0	106.6	K386 F390	K386-F388 PolarHBondContact O-N 2.97Å; K386-F388 VanDerWaalsContact O-N 3.08Å; F388-F390 PolarHBondContact O-N 2.9Å
389	M	23.5	Very low	26.8	Very low	142 Å²	142	159.1 Å²	159.1	70%	0.7	79%	0.793	S	S	*	*			trans	-66.7	120	155.2	-75.1	-161.9	-175.1	0	0	107.1	Q387	Q387-M389 VanDerWaalsContact C-N 3.27Å; Q387-M389 HydrophobicContact CB-CG 4.35Å; Q387-M389 PolarHBondContact O-N 3.45Å
390	F	28.1	Very low	27.1	Very low	201 Å²	201	158.6 Å²	158.6	88%	0.882	80%	0.801	S	S	*	*			trans	-153.4	100.7	143.3	-96.4	-65.8	0	0	0	108.1	F388	F388-F390 PolarHBondContact O-N 2.9Å
391	N	24.4	Very low	27	Very low	148 Å²	148	155.7 Å²	155.7	79%	0.791	80%	0.798	S	S	*	*			trans	-75.7	166.5	163.5	-88.6	-7.9	0	0	0	109.8
392	N	30.1	Very low	27.4	Very low	157 Å²	157	156.7 Å²	156.7	84%	0.84	80%	0.804	S	S	*	*			trans	87.9	103	168.4	-53.8	-14.6	0	0	0	117.1
393	H	27.7	Very low	27.4	Very low	187 Å²	187	157.3 Å²	157.3	87%	0.866	81%	0.808	S	S	*	*			trans	-49.5	174.3	149.7	-72.1	-68.5	0	0	0	114
394	P	33.2	Very low	27.7	Very low	104 Å²	104	156.2 Å²	156.2	68%	0.675	81%	0.805	S	S	*	*			cis	-135.7	-167.2	-17.7	24.3	0.6	0	0	0	114.1
395	K	31	Very low	27.7	Very low	189 Å²	189	156.6 Å²	156.6	82%	0.822	81%	0.812	S	S	*	*			trans	95.5	98.1	155.5	-57	-179.7	-179	178.4	0	118.9
396	Q	26.9	Very low	27.8	Very low	190 Å²	190	154 Å²	154	89%	0.888	81%	0.806	S	S	*	*				49.5	153.1	119.7	-69.8	-106	-0.5	0	0	122
397	P	32.9	Very low	28.1	Very low	112 Å²	112	152.6 Å²	152.6	73%	0.727	81%	0.806	S	S	*	*			trans	-122.7	162.4	-149.9	41.3	-28.3	0	0	0	116.5
398	S	26.8	Very low	28.4	Very low	125 Å²	125	153.3 Å²	153.3	87%	0.874	81%	0.813	S	S	*	*			trans	-154.3	155.7	158.6	62.9	0	0	0	0	115
399	K	26.5	Very low	28.6	Very low	196 Å²	196	150 Å²	150	85%	0.852	81%	0.811	S	S	*	*			trans	-68.3	152.9	-175.1	-50.1	146.1	176.7	175.1	0	113.2
400	T	29.9	Very low	28.6	Very low	150 Å²	150	148.5 Å²	148.5	92%	0.92	81%	0.814	S	S	*	*				-169	156.3	119.9	22.3	0	0	0	0	112.4
401	M	23.4	Very low	28.5	Very low	171 Å²	171	145.6 Å²	145.6	84%	0.842	81%	0.814	S	S	*	*			trans	-113.4	145.5	173.6	-75.2	172	56.1	0	0	111.3
402	S	30.5	Very low	28.7	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	82%	0.818	S	S	*	*			trans	-174	102.2	144.1	53.2	0	0	0	0	109.4
403	T	27.1	Very low	28.6	Very low	115 Å²	115	147.3 Å²	147.3	71%	0.706	82%	0.815	S	S	*	*				50.8	102.1	89.4	61	0	0	0	0	115.6
404	L	30.9	Very low	28.4	Very low	177 Å²	177	148.9 Å²	148.9	93%	0.927	82%	0.82	S	S	*	*			trans	-143.7	134.8	144	-108.7	166.2	0	0	0	107.4
405	T	26	Very low	28	Very low	131 Å²	131	147.4 Å²	147.4	80%	0.804	81%	0.812	S	S	*	*			trans	-153.8	122.3	-165.8	-49.6	0	0	0	0	110.7
406	S	28.9	Very low	27.8	Very low	102 Å²	102	148.5 Å²	148.5	71%	0.713	82%	0.816	S	S	*	*			trans	-160.4	114.9	168.3	57	0	0	0	0	113.9
407	I	31.5	Very low	27.6	Very low	161 Å²	161	145.2 Å²	145.2	83%	0.826	81%	0.809	S	S	*	*			trans	60.1	106	135	-51.5	166.4	0	0	0	118.4
408	I	32	Very low	27.1	Very low	162 Å²	162	149 Å²	149	83%	0.831	82%	0.815	S	S	*	*				-162	142.6	127.8	-103	156.7	0	0	0	107.4
409	P	28.4	Very low	26.9	Very low	122 Å²	122	149.8 Å²	149.8	79%	0.792	81%	0.809	S	S	*	*			trans	-83.6	167.9	-148.5	30.4	-37.4	0	0	0	117.5
410	S	24.3	Very low	26.9	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	80%	0.801	S	S	*	*			trans	-90.5	119.9	-168.8	54.1	0	0	0	0	115.2
411	T	26.5	Very low	26.7	Very low	141 Å²	141	144.7 Å²	144.7	87%	0.865	78%	0.783	S	S	*	*			trans	-173.3	93.9	137.2	33.5	0	0	0	0	110.4
412	I	28.5	Very low	27	Very low	174 Å²	174	140.2 Å²	140.2	89%	0.892	77%	0.766	S	S	*	*			trans	-134.3	134.5	167.7	-61.6	-176.6	0	0	0	110.1	K414	I412-K414 PolarHBondContact O-N 2.89Å
413	H	27.7	Very low	27.1	Very low	166 Å²	166	139 Å²	139	77%	0.769	75%	0.751	S	S	*	*			trans	-57.1	125.6	-172.2	-98.3	-113.8	0	0	0	115.1	S415	H413-S415 PolarHBondContact ND1-OG 3.22Å; H413-S415 PolarHBondContact O-N 2.77Å
414	K	24.2	Very low	27.6	Very low	221 Å²	221	137 Å²	137	96%	0.961	73%	0.733	S	S	*	*			trans	-74.5	63	160.5	-71.8	-174.9	177.7	177.4	0	111.2	I412	I412-K414 PolarHBondContact O-N 2.89Å
415	S	24.2	Very low	27.9	Very low	73 Å²	73	132.6 Å²	132.6	51%	0.51	71%	0.713	S	S	.	*			trans	-148.3	71.9	179	63.6	0	0	0	0	114.4	H413	H413-S415 PolarHBondContact ND1-OG 3.22Å; H413-S415 PolarHBondContact O-N 2.77Å
416	K	25.9	Very low	28.4	Very low	211 Å²	211	129.2 Å²	129.2	92%	0.917	70%	0.695	S	S	*	*			trans	-118.1	52.7	153.9	-84.9	-169.8	177.7	178.9	0	111	F418	K416-F418 PolarHBondContact O-N 2.89Å
417	V	23.9	Very low	29	Very low	122 Å²	122	127.8 Å²	127.8	74%	0.739	68%	0.676	S	S	*	*			trans	-65.8	125.3	161.5	177	0	0	0	0	107.4	N419	V417-N419 PolarHBondContact O-N 3.19Å
418	F	23.2	Very low	30	Very low	192 Å²	192	121.4 Å²	121.4	84%	0.842	64%	0.643	S	S	*	*			trans	-68.4	85	168.4	-97.2	-88.2	0	0	0	108.7	K416 M420	K416-F418 PolarHBondContact O-N 2.89Å; F418-M420 VanDerWaalsContact C-N 3.27Å; F418-M420 PolarHBondContact O-N 2.91Å
419	N	22.2	Very low	31.5	Very low	140 Å²	140	114.5 Å²	114.5	75%	0.749	61%	0.607	S	S	*	*			trans	-74.2	81.9	-175.1	-161.8	-1.7	0	0	0	109.7	V417 N421	V417-N419 PolarHBondContact O-N 3.19Å; N419-N421 VanDerWaalsContact C-N 3.3Å; N419-N421 PolarHBondContact O-N 3.39Å
420	M	25.5	Very low	34	Very low	142 Å²	142	109.7 Å²	109.7	70%	0.7	58%	0.576	S	S	*	*			trans	-63.4	91.3	177.9	-88.4	-67.1	164.9	0	0	109.8	F418 P422	F418-M420 VanDerWaalsContact C-N 3.27Å; F418-M420 PolarHBondContact O-N 2.91Å; M420-P422 WeakPolarHBondContact O-CD 3.37Å; M420-P422 VanDerWaalsContact O-N 3.09Å
421	N	26.6	Very low	36.9	Very low	98 Å²	98	105 Å²	105	52%	0.524	54%	0.542	S	S	.	.			trans	-53.7	113	-174.8	-173.3	-21.7	0	0	0	110.1	N419 N423	N419-N421 VanDerWaalsContact C-N 3.3Å; N419-N421 PolarHBondContact O-N 3.39Å; N421-N423 PolarHBondContact O-N 3.38Å; N421-N423 PolarHBondContact OD1-N 3.44Å; N421-N423 PolarHBondContact OD1-ND2 3.43Å
422	P	29.6	Very low	40.2	Very low	77 Å²	77	98.4 Å²	98.4	50%	0.5	50%	0.502	S	S	.	.	S	Bend	trans	-69.1	-0.8	-167.6	26.3	-35	0	0	0	114.2	M420 K424	M420-P422 WeakPolarHBondContact O-CD 3.37Å; M420-P422 VanDerWaalsContact O-N 3.09Å; P422-K424 PolarHBondContact O-N 2.86Å
423	N	31.9	Very low	43.4	Very low	82 Å²	82	90.2 Å²	90.2	44%	0.439	46%	0.46	S	S	.	.			trans	-76.1	37.2	172.6	-64.1	-73.9	0	0	0	113.5	N421	N421-N423 PolarHBondContact O-N 3.38Å; N421-N423 PolarHBondContact OD1-N 3.44Å; N421-N423 PolarHBondContact OD1-ND2 3.43Å
424	K	38.3	Very low	46.7	Very low	72 Å²	72	82.3 Å²	82.3	31%	0.313	42%	0.423	S	S	.	.			trans	-115	154.1	173.6	-76.6	-167.1	174.3	-166.8	0	111.4	S340 P422 R598	S340-K424 WeakPolarHBondContact OG-CE 3.02Å; S340-K424 PolarHBondContact OG-NZ 2.86Å; P422-K424 PolarHBondContact O-N 2.86Å; K424-R598 PolarHBondContact O-NH2 3.03Å
425	T	37.7	Very low	50.2	Low	84 Å²	84	72.2 Å²	72.2	52%	0.515	38%	0.379	S	S	.	.			trans	48.6	91.8	-173.7	57.2	0	0	0	0	115.3	R598	T425-R598 PolarHBondContact O-NH2 3.32Å
426	S	35.6	Very low	53.7	Low	61 Å²	61	68.7 Å²	68.7	43%	0.427	36%	0.355	S	S	.	.			trans	-56.3	138.4	145.9	42.3	0	0	0	0	108.5	M428	S426-M428 WeakPolarHBondContact O-CG 3.12Å; S426-M428 PolarHBondContact O-N 2.89Å
427	F	42.6	Very low	57.1	Low	71 Å²	71	58.7 Å²	58.7	31%	0.311	31%	0.311	S	S	.	.			trans	-77.1	79.4	-174.1	-151.3	-86.3	0	0	0	110.6	R598	F427-R598 HydrophobicContact CB-CB 4.45Å; F427-R598 HydrophobicContact CB-CG 4.07Å
428	M	50.7	Low	60.6	Low	27 Å²	27	52.9 Å²	52.9	13%	0.133	28%	0.276	C	S	.	.			trans	-85.8	133	177.7	-54	-118.7	58.3	0	0	107.8	P104 R336 S426 V491	P104-M428 HydrophobicContact CB-CB 4.4Å; P104-M428 HydrophobicContact CB-CG 4.23Å; P104-M428 HydrophobicContact CB-SD 3.56Å; P104-M428 VanDerWaalsContact CB-SD 3.56Å; P104-M428 HydrophobicContact CG-SD 4.49Å; R336-M428 PolarHBondContact NH1-O 2.88Å; R336-M428 PolarHBondContact NH2-O 3.43Å; S426-M428 WeakPolarHBondContact O-CG 3.12Å; S426-M428 PolarHBondContact O-N 2.89Å; M428-V491 HydrophobicContact CE-CG2 3.68Å; M428-V491 HydrophobicContact SD-CG2 3.8Å
429	Y	63.7	Low	64.2	Low	17 Å²	17	43.9 Å²	43.9	7%	0.067	24%	0.237	C	C	.	.			trans	-24.4	138.7	164.4	-72.1	-115.3	0	0	0	111.6	R336 N431 N482 M605 R702	R336-Y429 PolarHBondContact NH2-O 2.86Å; Y429-N431 PolarHBondContact O-N 2.82Å; Y429-N431 VanDerWaalsContact O-N 3.09Å; Y429-N482 HydrophobicContact CE1-CB 4.14Å; Y429-N482 PolarHBondContact OH-ND2 2.83Å; Y429-M605 HydrophobicContact CD1-CE 3.67Å; Y429-M605 HydrophobicContact CD1-SD 3.72Å; Y429-M605 HydrophobicContact CD2-CE 3.7Å; Y429-M605 HydrophobicContact CE1-CE 3.64Å; Y429-M605 HydrophobicContact CE1-SD 3.33Å; Y429-M605 WeakPolarHBondContact CE1-SD 3.19Å; Y429-M605 HydrophobicContact CE2-CE 3.6Å; Y429-M605 HydrophobicContact CE2-SD 4.29Å; Y429-M605 HydrophobicContact CG-CE 3.71Å; Y429-M605 HydrophobicContact CG-SD 4.38Å; Y429-R702 PolarHBondContact OH-NH1 3.06Å; Y429-R702 VanDerWaalsContact OH-NH1 3.16Å
430	S	80.8	Confident	67.8	Low	21 Å²	21	37.2 Å²	37.2	15%	0.147	20%	0.201	C	C	.	.			trans	-55.9	126.1	179.8	-174.9	0	0	0	0	110.2	R107 T228 Y332 L432	R107-S430 WeakPolarHBondContact CD-O 3.42Å; T228-S430 VanDerWaalsContact O-CB 3.22Å; T228-S430 WeakPolarHBondContact O-CB 3.34Å; Y332-S430 VanDerWaalsContact OH-CA 3.23Å; Y332-S430 WeakPolarHBondContact OH-CA 3.29Å; Y332-S430 WeakPolarHBondContact OH-CB 3.5Å; Y332-S430 PolarHBondContact OH-OG 2.85Å; S430-L432 WeakPolarHBondContact CB-O 3.48Å; S430-L432 PolarHBondContact O-N 3.06Å; S430-L432 PolarHBondContact OG-N 3.08Å; S430-L432 PolarHBondContact OG-O 2.81Å
431	N	86.8	Confident	71.2	Confident	13 Å²	13	30.9 Å²	30.9	7%	0.07	17%	0.17	C	C	.	.	S	Bend	trans	-65.1	-18.2	174	-76.8	100.3	0	0	0	111.8	E103 Q106 R107 A108 R336 Y429	E103-N431 PolarHBondContact O-ND2 3.38Å; Q106-N431 WeakPolarHBondContact O-CA 3.39Å; Q106-N431 PolarHBondContact O-ND2 2.9Å; R107-N431 CarbonylContact C-O 3.57Å; R107-N431 VanDerWaalsContact CA-O 3.23Å; R107-N431 WeakPolarHBondContact CA-O 3.29Å; A108-N431 PolarHBondContact N-O 3.03Å; R336-N431 PolarHBondContact NE-OD1 3.02Å; R336-N431 VanDerWaalsContact NE-OD1 3.08Å; R336-N431 PolarHBondContact NH2-OD1 3.47Å; Y429-N431 PolarHBondContact O-N 2.82Å; Y429-N431 VanDerWaalsContact O-N 3.09Å
432	L	94.1	Very high	74.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-127	142	-173.9	-51.5	178.3	0	0	0	110.3	I99 L102 A108 F111 P112 Y332 S430	I99-L432 HydrophobicContact CG2-CD1 4.08Å; I99-L432 HydrophobicContact CG2-CD2 4.34Å; L102-L432 HydrophobicContact CD1-CD2 3.9Å; A108-L432 HydrophobicContact CB-CD2 3.87Å; A108-L432 VanDerWaalsContact O-CA 3.31Å; A108-L432 WeakPolarHBondContact O-CA 2.71Å; F111-L432 HydrophobicContact CD1-CB 3.7Å; F111-L432 HydrophobicContact CD1-CD1 4.02Å; F111-L432 HydrophobicContact CD1-CG 4.5Å; F111-L432 HydrophobicContact CE1-CB 3.65Å; F111-L432 HydrophobicContact CE2-CB 4.49Å; F111-L432 HydrophobicContact CG-CB 4.15Å; F111-L432 HydrophobicContact CZ-CB 4.07Å; F111-L432 WeakPolarHBondContact CZ-O 3.35Å; P112-L432 HydrophobicContact CG-CD1 4.32Å; Y332-L432 HydrophobicContact CD2-CD1 3.9Å; Y332-L432 HydrophobicContact CD2-CG 4.43Å; Y332-L432 HydrophobicContact CE2-CB 4.3Å; Y332-L432 HydrophobicContact CE2-CD1 4.16Å; Y332-L432 HydrophobicContact CE2-CG 4.18Å; S430-L432 WeakPolarHBondContact CB-O 3.48Å; S430-L432 PolarHBondContact O-N 3.06Å; S430-L432 PolarHBondContact OG-N 3.08Å; S430-L432 PolarHBondContact OG-O 2.81Å
433	F	95.6	Very high	77.8	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.009	12%	0.124	C	C	.	.			trans	-135.3	166	167.1	68.9	-81.9	0	0	0	107.6	L87 W89 R107 A108 N109 H110 L226 V227 T477 L481	L87-F433 HydrophobicContact CD1-CE1 3.8Å; L87-F433 HydrophobicContact CD1-CZ 4.02Å; W89-F433 HydrophobicContact CE3-CZ 4.12Å; W89-F433 AromaticContact CZ3-CE2 3.95Å; W89-F433 HydrophobicContact CZ3-CE2 3.95Å; W89-F433 AromaticContact CZ3-CZ 3.9Å; W89-F433 HydrophobicContact CZ3-CZ 3.9Å; R107-F433 HydrophobicContact CB-CD1 4.41Å; R107-F433 HydrophobicContact CB-CE1 4.28Å; A108-F433 WeakPolarHBondContact O-CD1 3.32Å; A108-F433 WeakPolarHBondContact O-CE1 3.36Å; A108-F433 PolarHBondContact O-N 3.25Å; N109-F433 CarbonylContact C-O 3.55Å; N109-F433 WeakPolarHBondContact CA-O 3.4Å; N109-F433 HydrophobicContact CB-CD2 4.49Å; N109-F433 HydrophobicContact CB-CE1 4Å; N109-F433 HydrophobicContact CB-CE2 3.73Å; N109-F433 HydrophobicContact CB-CZ 3.44Å; N109-F433 VanDerWaalsContact CB-CZ 3.44Å; N109-F433 VanDerWaalsContact O-O 3.07Å; H110-F433 PolarHBondContact N-O 2.89Å; H110-F433 VanDerWaalsContact N-O 3.09Å; L226-F433 HydrophobicContact CD1-CB 4.29Å; L226-F433 HydrophobicContact CD1-CD2 4Å; V227-F433 CarbonylContact O-C 3.54Å; V227-F433 WeakPolarHBondContact O-CA 3.39Å; F433-T477 HydrophobicContact CD2-CG2 4.2Å; F433-T477 HydrophobicContact CE2-CG2 4.09Å; F433-L481 HydrophobicContact CB-CD2 3.78Å; F433-L481 HydrophobicContact CD1-CD1 3.81Å; F433-L481 HydrophobicContact CD1-CD2 3.59Å; F433-L481 HydrophobicContact CD1-CG 4.37Å; F433-L481 HydrophobicContact CD2-CD1 4.26Å; F433-L481 HydrophobicContact CD2-CD2 4.21Å; F433-L481 HydrophobicContact CE1-CD1 3.54Å; F433-L481 HydrophobicContact CE1-CD2 4.22Å; F433-L481 HydrophobicContact CE2-CD1 4.01Å; F433-L481 HydrophobicContact CG-CD1 4.17Å; F433-L481 HydrophobicContact CG-CD2 3.58Å; F433-L481 HydrophobicContact CG-CG 4.47Å; F433-L481 HydrophobicContact CZ-CD1 3.65Å
434	E	96.8	Very high	80.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	133.1	178.3	-168.5	155.5	-152.3	0	0	112	H110 F111 M114 L226 V227 L436 R455	H110-E434 IonicContact CE1-OE1 3.35Å; H110-E434 IonicContact CG-OE1 3.14Å; H110-E434 IonicContact ND1-OE1 2.99Å; H110-E434 PolarHBondContact ND1-OE1 3.42Å; F111-E434 WeakPolarHBondContact CB-OE2 3.44Å; F111-E434 HydrophobicContact CD2-CB 3.74Å; F111-E434 HydrophobicContact CE2-CB 4.12Å; F111-E434 PolarHBondContact N-OE2 3.02Å; M114-E434 WeakPolarHBondContact CB-OE2 3.27Å; M114-E434 WeakPolarHBondContact CE-OE2 3.27Å; M114-E434 WeakPolarHBondContact CG-OE2 3.43Å; L226-E434 WeakPolarHBondContact CA-O 3.34Å; V227-E434 PolarHBondContact N-O 3.24Å; V227-E434 PolarHBondContact O-N 3.08Å; E434-L436 HydrophobicContact CG-CD2 3.94Å; E434-L436 HydrophobicContact CG-CG 4.45Å; E434-R455 WeakPolarHBondContact OE1-CD 3.2Å; E434-R455 WeakPolarHBondContact OE1-CG 3.35Å
435	I	97.8	Very high	83.5	Confident	9 Å²	9	26.2 Å²	26.2	5%	0.046	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	108.2	174.4	-55.1	176.7	0	0	0	108.6	W89 Y224 V225 L226 P457 F459 L474 T477 W616	W89-I435 HydrophobicContact CH2-CD1 3.98Å; Y224-I435 HydrophobicContact CD1-CG2 4.35Å; V225-I435 CarbonylContact O-C 3.03Å; V225-I435 WeakPolarHBondContact O-CA 3.45Å; L226-I435 HydrophobicContact CD1-CG1 4.14Å; I435-P457 HydrophobicContact CG2-CG 4.3Å; I435-P457 WeakPolarHBondContact O-CD 3.21Å; I435-P457 WeakPolarHBondContact O-CG 3.38Å; I435-F459 HydrophobicContact CB-CZ 4.42Å; I435-F459 HydrophobicContact CD1-CZ 4.27Å; I435-F459 HydrophobicContact CG2-CZ 4.25Å; I435-L474 HydrophobicContact CD1-CD2 4.24Å; I435-T477 HydrophobicContact CD1-CG2 4.14Å; I435-T477 HydrophobicContact CG1-CG2 4.46Å; I435-W616 HydrophobicContact CG2-CH2 4.46Å
436	L	97.8	Very high	86.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.1	176.1	-57.5	174.7	0	0	0	110.6	M114 I117 Y224 V225 V227 L321 E434 F438 V453 R455	M114-L436 HydrophobicContact CE-CD1 4.23Å; M114-L436 HydrophobicContact CG-CD2 3.9Å; M114-L436 HydrophobicContact SD-CD1 3.96Å; M114-L436 HydrophobicContact SD-CD2 4.34Å; I117-L436 HydrophobicContact CD1-CD1 4.5Å; Y224-L436 WeakPolarHBondContact CA-O 3.29Å; V225-L436 HydrophobicContact CB-CB 4.44Å; V225-L436 PolarHBondContact N-O 2.78Å; V225-L436 PolarHBondContact O-N 3.23Å; V227-L436 HydrophobicContact CG2-CD1 4.46Å; L321-L436 HydrophobicContact CD2-CD1 3.95Å; E434-L436 HydrophobicContact CG-CD2 3.94Å; E434-L436 HydrophobicContact CG-CG 4.45Å; L436-F438 HydrophobicContact CB-CD2 4.14Å; L436-F438 HydrophobicContact CB-CE2 3.95Å; L436-F438 HydrophobicContact CD1-CE2 3.92Å; L436-V453 HydrophobicContact CB-CG1 4.13Å; L436-V453 HydrophobicContact CD1-CG1 4.13Å; L436-V453 HydrophobicContact CD2-CG1 4.33Å; L436-V453 HydrophobicContact CG-CG1 4.43Å; L436-R455 HydrophobicContact CD2-CG 4.27Å
437	G	97.5	Very high	89.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.1	164.9	0	0	0	0	0	110.1	V223 N454	V223-G437 CarbonylContact O-C 3.3Å; V223-G437 WeakPolarHBondContact O-CA 3.24Å; G437-N454 PolarHBondContact N-O 3.32Å; G437-N454 WeakPolarHBondContact O-CB 3.49Å; G437-N454 PolarHBondContact O-N 2.98Å
438	F	98.1	Very high	91.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.2	171	-80.7	-111.7	0	0	0	109.3	R222 V223 V225 L316 I317 T320 L321 L436 I440 L450 V453	R222-F438 WeakPolarHBondContact CA-O 3.4Å; V223-F438 HydrophobicContact CB-CB 4.23Å; V223-F438 PolarHBondContact N-O 3.35Å; V223-F438 PolarHBondContact O-N 3.13Å; V225-F438 HydrophobicContact CB-CD2 3.91Å; V225-F438 HydrophobicContact CB-CE2 3.88Å; V225-F438 HydrophobicContact CG1-CE2 4.16Å; V225-F438 HydrophobicContact CG2-CD2 3.48Å; V225-F438 VanDerWaalsContact CG2-CD2 3.48Å; V225-F438 HydrophobicContact CG2-CE2 3.78Å; V225-F438 HydrophobicContact CG2-CG 4.27Å; L316-F438 HydrophobicContact CD2-CD1 4.28Å; I317-F438 HydrophobicContact CB-CE1 4.38Å; I317-F438 HydrophobicContact CG1-CD1 3.91Å; I317-F438 HydrophobicContact CG1-CE1 4.02Å; I317-F438 HydrophobicContact CG1-CG 4.21Å; I317-F438 HydrophobicContact CG1-CZ 4.42Å; I317-F438 HydrophobicContact CG2-CE1 4.42Å; I317-F438 HydrophobicContact CG2-CE2 4.28Å; I317-F438 HydrophobicContact CG2-CZ 4.06Å; T320-F438 HydrophobicContact CG2-CE1 3.88Å; T320-F438 HydrophobicContact CG2-CZ 4.27Å; L321-F438 HydrophobicContact CD1-CZ 4.46Å; L321-F438 HydrophobicContact CG-CZ 4.42Å; L436-F438 HydrophobicContact CB-CD2 4.14Å; L436-F438 HydrophobicContact CB-CE2 3.95Å; L436-F438 HydrophobicContact CD1-CE2 3.92Å; F438-I440 HydrophobicContact CB-CD1 4.37Å; F438-I440 HydrophobicContact CB-CG1 4.3Å; F438-L450 HydrophobicContact CD1-CD1 3.9Å; F438-L450 HydrophobicContact CE1-CD1 4.33Å; F438-V453 HydrophobicContact CD1-CG2 3.92Å; F438-V453 HydrophobicContact CD2-CG1 4.1Å; F438-V453 HydrophobicContact CE1-CG1 4.49Å; F438-V453 HydrophobicContact CE1-CG2 3.7Å; F438-V453 HydrophobicContact CE2-CG1 3.86Å; F438-V453 HydrophobicContact CG-CG2 4.43Å; F438-V453 HydrophobicContact CZ-CG1 4.07Å; F438-V453 HydrophobicContact CZ-CG2 4.02Å
439	D	97.7	Very high	94.1	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.3	174.6	-70.3	47.8	0	0	0	107.3	R222 R244 I451 E452 N454	R222-D439 IonicContact CZ-OD1 3.65Å; R222-D439 IonicContact CZ-OD2 2.7Å; R222-D439 IonicContact NE-OD1 2.76Å; R222-D439 PolarHBondContact NE-OD1 3.02Å; R222-D439 IonicContact NE-OD2 2.74Å; R222-D439 IonicContact NH2-OD1 3.66Å; R222-D439 PolarHBondContact NH2-OD1 3.26Å; R222-D439 IonicContact NH2-OD2 2.69Å; R222-D439 PolarHBondContact NH2-OD2 3.17Å; R244-D439 IonicContact CZ-OD2 3.22Å; R244-D439 IonicContact NH1-OD2 3.54Å; R244-D439 PolarHBondContact NH1-OD2 2.84Å; R244-D439 VanDerWaalsContact NH2-CG 3.25Å; R244-D439 IonicContact NH2-OD1 3.26Å; R244-D439 IonicContact NH2-OD2 3.69Å; R244-D439 PolarHBondContact NH2-OD2 2.72Å; D439-I451 WeakPolarHBondContact O-CB 3.43Å; D439-I451 PolarHBondContact O-N 2.79Å; D439-E452 HydrophobicContact CB-CG 3.63Å; D439-E452 PolarHBondContact N-O 3.26Å; D439-E452 PolarHBondContact O-N 2.82Å; D439-N454 PolarHBondContact OD1-ND2 3.26Å
440	I	98.2	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.2	-173.3	-59.8	178.7	0	0	0	108.9	L221 V223 I313 L316 F438 I442 P448 W449	L221-I440 PolarHBondContact N-O 3.12Å; L221-I440 PolarHBondContact O-N 2.72Å; V223-I440 HydrophobicContact CG2-CD1 4.15Å; I313-I440 HydrophobicContact CG1-CD1 4.32Å; I313-I440 HydrophobicContact CG2-CD1 3.78Å; L316-I440 HydrophobicContact CD1-CD1 4.45Å; L316-I440 HydrophobicContact CD2-CD1 3.78Å; L316-I440 HydrophobicContact CD2-CG1 4.27Å; F438-I440 HydrophobicContact CB-CD1 4.37Å; F438-I440 HydrophobicContact CB-CG1 4.3Å; I440-I442 HydrophobicContact CG2-CD1 4.12Å; I440-P448 HydrophobicContact CG2-CB 3.55Å; I440-W449 WeakPolarHBondContact CA-O 3.35Å
441	L	97.8	Very high	96.4	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.047	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.6	171.6	-178.9	55.4	0	0	0	108.9	I208 P211 C219 W449 I451	I208-L441 HydrophobicContact CB-CD2 3.88Å; I208-L441 HydrophobicContact CD1-CD2 3.84Å; I208-L441 HydrophobicContact CD1-CG 4.39Å; I208-L441 HydrophobicContact CG1-CD2 4.44Å; I208-L441 HydrophobicContact CG2-CD2 4.13Å; P211-L441 HydrophobicContact CB-CD1 3.95Å; P211-L441 HydrophobicContact CB-CD2 4.43Å; P211-L441 HydrophobicContact CB-CG 4.48Å; C219-L441 WeakPolarHBondContact O-CD1 3.45Å; L441-W449 PolarHBondContact N-O 3.16Å; L441-W449 PolarHBondContact O-N 2.88Å; L441-I451 HydrophobicContact CB-CD1 3.81Å; L441-I451 HydrophobicContact CB-CG1 3.67Å; L441-I451 HydrophobicContact CD2-CD1 4.32Å
442	I	97.6	Very high	96.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.8	170.7	-49.5	-57.6	0	0	0	107.7	L212 L221 F294 I309 I313 I440 L446 N447 P448	L212-I442 HydrophobicContact CB-CB 3.93Å; L212-I442 HydrophobicContact CB-CG2 4.11Å; L212-I442 WeakPolarHBondContact CB-O 3.45Å; L212-I442 HydrophobicContact CD2-CB 3.91Å; L212-I442 HydrophobicContact CD2-CG1 4.45Å; L212-I442 HydrophobicContact CD2-CG2 3.87Å; L212-I442 PolarHBondContact N-O 3.42Å; L221-I442 HydrophobicContact CD1-CD1 3.92Å; L221-I442 HydrophobicContact CD1-CG1 3.97Å; L221-I442 HydrophobicContact CG-CG1 4.35Å; F294-I442 HydrophobicContact CZ-CG1 4.14Å; I309-I442 HydrophobicContact CG2-CD1 4.08Å; I313-I442 HydrophobicContact CD1-CD1 4.38Å; I440-I442 HydrophobicContact CG2-CD1 4.12Å; I442-L446 HydrophobicContact CG2-CD2 4.19Å; I442-N447 WeakPolarHBondContact CA-O 3.32Å; I442-P448 HydrophobicContact CD1-CB 3.78Å
443	D	96.3	Very high	96.9	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.053	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-85.5	172.4	171.7	66.9	20.4	0	0	0	112.6	I208 H210 Q445 L446 N447 W449	I208-D443 HydrophobicContact CG2-CB 4.43Å; H210-D443 WeakPolarHBondContact O-CA 3.41Å; D443-Q445 PolarHBondContact O-N 3.15Å; D443-Q445 VanDerWaalsContact OD1-CA 3.31Å; D443-Q445 WeakPolarHBondContact OD1-CA 3.06Å; D443-Q445 PolarHBondContact OD1-N 3.04Å; D443-L446 PolarHBondContact O-N 3.31Å; D443-L446 VanDerWaalsContact O-N 3.08Å; D443-L446 PolarHBondContact OD1-N 3.2Å; D443-N447 PolarHBondContact N-O 3.34Å; D443-N447 PolarHBondContact OD1-N 2.99Å; D443-N447 PolarHBondContact OD1-ND2 3.23Å; D443-N447 WeakPolarHBondContact OD2-CB 3.28Å; D443-N447 PolarHBondContact OD2-ND2 2.81Å; D443-W449 PolarHBondContact OD2-NE1 3.34Å
444	E	94.8	Very high	96.8	Very high	104 Å²	104	23.8 Å²	23.8	49%	0.486	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.2	175.7	177	168.6	-142	0	0	112.9	H210 L446	H210-E444 HydrophobicContact CB-CB 4.28Å; H210-E444 IonicContact ND1-OE2 2.67Å; H210-E444 PolarHBondContact ND1-OE2 3.2Å; H210-E444 PolarHBondContact O-N 3.02Å; E444-L446 VanDerWaalsContact C-N 3.31Å
445	Q	95.2	Very high	96.6	Very high	115 Å²	115	25.4 Å²	25.4	54%	0.537	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	9.8	178.7	-61.2	73.3	32.6	0	0	113.3	D443 N447	D443-Q445 PolarHBondContact O-N 3.15Å; D443-Q445 VanDerWaalsContact OD1-CA 3.31Å; D443-Q445 WeakPolarHBondContact OD1-CA 3.06Å; D443-Q445 PolarHBondContact OD1-N 3.04Å; Q445-N447 PolarHBondContact O-N 3.4Å
446	L	95.7	Very high	96.2	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.126	14%	0.135	C	C	.	.	S	Bend	trans	60	39.3	178.1	-51.2	-179.8	0	0	0	114.2	L212 I298 K302 I309 K312 I442 D443 E444	L212-L446 HydrophobicContact CD1-CD2 4.15Å; L212-L446 HydrophobicContact CD2-CD2 4.36Å; I298-L446 HydrophobicContact CD1-CD2 4.01Å; K302-L446 HydrophobicContact CB-CD1 4.48Å; I309-L446 HydrophobicContact CD1-CB 4.02Å; I309-L446 HydrophobicContact CD1-CD1 4.26Å; I309-L446 HydrophobicContact CD1-CD2 4.25Å; I309-L446 HydrophobicContact CD1-CG 4.41Å; I309-L446 HydrophobicContact CG1-CB 4.39Å; K312-L446 PolarHBondContact NZ-O 3.26Å; I442-L446 HydrophobicContact CG2-CD2 4.19Å; D443-L446 PolarHBondContact O-N 3.31Å; D443-L446 VanDerWaalsContact O-N 3.08Å; D443-L446 PolarHBondContact OD1-N 3.2Å; E444-L446 VanDerWaalsContact C-N 3.31Å
447	N	96.7	Very high	95.9	Very high	57 Å²	57	27.4 Å²	27.4	31%	0.305	14%	0.136	S	C	.	.			trans	-101.1	137.1	166.4	-46.6	-66.6	0	0	0	110.9	K312 I442 D443 Q445	K312-N447 PolarHBondContact NZ-OD1 3.44Å; I442-N447 WeakPolarHBondContact CA-O 3.32Å; D443-N447 PolarHBondContact N-O 3.34Å; D443-N447 PolarHBondContact OD1-N 2.99Å; D443-N447 PolarHBondContact OD1-ND2 3.23Å; D443-N447 WeakPolarHBondContact OD2-CB 3.28Å; D443-N447 PolarHBondContact OD2-ND2 2.81Å; Q445-N447 PolarHBondContact O-N 3.4Å
448	P	98	Very high	95.7	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.058	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.3	173.3	33.7	-32.6	0	0	0	111.6	K312 I313 L316 I440 I442	K312-P448 HydrophobicContact CB-CG 3.49Å; K312-P448 VanDerWaalsContact CB-CG 3.49Å; K312-P448 HydrophobicContact CD-CG 4.35Å; I313-P448 HydrophobicContact CD1-CB 4.47Å; I313-P448 HydrophobicContact CG1-CB 3.65Å; I313-P448 HydrophobicContact CG1-CG 3.92Å; L316-P448 HydrophobicContact CD1-CB 4.09Å; L316-P448 HydrophobicContact CD1-CG 4.31Å; I440-P448 HydrophobicContact CG2-CB 3.55Å; I442-P448 HydrophobicContact CD1-CB 3.78Å
449	W	98.2	Very high	95.5	Very high	66 Å²	66	29.9 Å²	29.9	25%	0.25	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.1	178.5	-67.2	91.3	0	0	0	110.6	N139 F140 P142 I208 I440 L441 D443 I451	N139-W449 WeakPolarHBondContact O-CZ3 3.39Å; F140-W449 WeakPolarHBondContact O-CA 3.48Å; P142-W449 HydrophobicContact CG-CE3 3.93Å; I208-W449 HydrophobicContact CD1-CB 3.54Å; I208-W449 HydrophobicContact CD1-CD2 3.95Å; I208-W449 HydrophobicContact CD1-CG 3.46Å; I208-W449 VanDerWaalsContact CD1-CG 3.46Å; I440-W449 WeakPolarHBondContact CA-O 3.35Å; L441-W449 PolarHBondContact N-O 3.16Å; L441-W449 PolarHBondContact O-N 2.88Å; D443-W449 PolarHBondContact OD2-NE1 3.34Å; W449-I451 HydrophobicContact CB-CD1 4.48Å; W449-I451 PolarHBondContact O-N 2.71Å
450	L	98.1	Very high	95.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.6	175.9	178.8	65.5	0	0	0	110.5	L123 F140 M141 L316 T320 F438 V453	L123-L450 HydrophobicContact CD1-CD2 4.2Å; L123-L450 HydrophobicContact CD2-CD2 4.17Å; F140-L450 HydrophobicContact CD2-CB 4.18Å; F140-L450 HydrophobicContact CE2-CD2 4.29Å; F140-L450 PolarHBondContact O-N 2.81Å; M141-L450 HydrophobicContact CB-CB 4.5Å; L316-L450 HydrophobicContact CD1-CB 4.29Å; L316-L450 HydrophobicContact CD2-CB 4.38Å; L316-L450 HydrophobicContact CD2-CD1 4.25Å; L316-L450 HydrophobicContact CG-CB 4.45Å; T320-L450 HydrophobicContact CG2-CD2 3.92Å; F438-L450 HydrophobicContact CD1-CD1 3.9Å; F438-L450 HydrophobicContact CE1-CD1 4.33Å; L450-V453 HydrophobicContact CD1-CG2 4Å
451	I	95.5	Very high	94.9	Very high	41 Å²	41	35.9 Å²	35.9	21%	0.21	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-42.8	179.9	-55.2	-55.1	0	0	0	112.1	I208 D439 L441 W449	I208-I451 HydrophobicContact CD1-CD1 4.24Å; D439-I451 WeakPolarHBondContact O-CB 3.43Å; D439-I451 PolarHBondContact O-N 2.79Å; L441-I451 HydrophobicContact CB-CD1 3.81Å; L441-I451 HydrophobicContact CB-CG1 3.67Å; L441-I451 HydrophobicContact CD2-CD1 4.32Å; W449-I451 HydrophobicContact CB-CD1 4.48Å; W449-I451 PolarHBondContact O-N 2.71Å
452	E	95.1	Very high	94.5	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.075	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	164.5	171	56.9	178.7	-146.4	0	0	112	K120 D439 N454	K120-E452 WeakPolarHBondContact CE-OE2 3.47Å; K120-E452 IonicContact NZ-OE2 3.51Å; K120-E452 PolarHBondContact NZ-OE2 2.77Å; D439-E452 HydrophobicContact CB-CG 3.63Å; D439-E452 PolarHBondContact N-O 3.26Å; D439-E452 PolarHBondContact O-N 2.82Å; E452-N454 PolarHBondContact OE1-ND2 2.75Å
453	V	96.8	Very high	94	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	114.2	168.7	-172.4	0	0	0	0	109	I117 C118 T320 L436 F438 L450	I117-V453 HydrophobicContact CD1-CG1 4.38Å; C118-V453 VanDerWaalsContact CA-O 3.26Å; C118-V453 WeakPolarHBondContact CA-O 3.36Å; C118-V453 WeakPolarHBondContact CB-O 3.4Å; C118-V453 PolarHBondContact SG-O 2.99Å; T320-V453 HydrophobicContact CG2-CG2 4.05Å; L436-V453 HydrophobicContact CB-CG1 4.13Å; L436-V453 HydrophobicContact CD1-CG1 4.13Å; L436-V453 HydrophobicContact CD2-CG1 4.33Å; L436-V453 HydrophobicContact CG-CG1 4.43Å; F438-V453 HydrophobicContact CD1-CG2 3.92Å; F438-V453 HydrophobicContact CD2-CG1 4.1Å; F438-V453 HydrophobicContact CE1-CG1 4.49Å; F438-V453 HydrophobicContact CE1-CG2 3.7Å; F438-V453 HydrophobicContact CE2-CG1 3.86Å; F438-V453 HydrophobicContact CG-CG2 4.43Å; F438-V453 HydrophobicContact CZ-CG1 4.07Å; F438-V453 HydrophobicContact CZ-CG2 4.02Å; L450-V453 HydrophobicContact CD1-CG2 4Å
454	N	94.2	Very high	93.7	Very high	32 Å²	32	44 Å²	44	17%	0.171	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.6	177.1	-78.1	-81.1	0	0	0	110.6	R222 G437 D439 E452	R222-N454 PolarHBondContact NH2-ND2 3.33Å; R222-N454 VanDerWaalsContact NH2-ND2 3.16Å; G437-N454 PolarHBondContact N-O 3.32Å; G437-N454 WeakPolarHBondContact O-CB 3.49Å; G437-N454 PolarHBondContact O-N 2.98Å; D439-N454 PolarHBondContact OD1-ND2 3.26Å; E452-N454 PolarHBondContact OE1-ND2 2.75Å
455	R	90.9	Very high	93.5	Very high	34 Å²	34	40 Å²	40	13%	0.128	20%	0.204	C	C	.	.	S	Bend	trans	-67.2	-39.4	-179.9	-156.1	-164.7	-48.2	-157.9	14	113.7	V93 M114 C118 E434 L436 P457	V93-R455 VanDerWaalsContact CG2-CZ 3.46Å; M114-R455 HydrophobicContact CG-CG 4.28Å; C118-R455 HydrophobicContact CB-CB 3.94Å; E434-R455 WeakPolarHBondContact OE1-CD 3.2Å; E434-R455 WeakPolarHBondContact OE1-CG 3.35Å; L436-R455 HydrophobicContact CD2-CG 4.27Å; R455-P457 WeakPolarHBondContact O-CD 3.32Å
456	S	89.6	Confident	93.4	Very high	49 Å²	49	34.7 Å²	34.7	34%	0.343	18%	0.179	S	C	.	.	S	Bend	trans	-121.1	79.5	-179.9	-52.6	0	0	0	0	108.1	D91 H110	D91-S456 VanDerWaalsContact O-CB 3.23Å; D91-S456 WeakPolarHBondContact O-CB 3.38Å; D91-S456 PolarHBondContact O-OG 2.78Å; H110-S456 PolarHBondContact CE1-OG 3.25Å
457	P	92.4	Very high	93.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	19%	0.192	C	C	.	.			trans	-64.6	144.5	-179.5	28	-34.6	0	0	0	110.7	Y224 I435 R455 F459	Y224-P457 HydrophobicContact CD1-CG 4.38Å; Y224-P457 HydrophobicContact CE1-CB 4.03Å; Y224-P457 HydrophobicContact CE1-CG 4.25Å; I435-P457 HydrophobicContact CG2-CG 4.3Å; I435-P457 WeakPolarHBondContact O-CD 3.21Å; I435-P457 WeakPolarHBondContact O-CG 3.38Å; R455-P457 WeakPolarHBondContact O-CD 3.32Å; P457-F459 HydrophobicContact CG-CE1 4.4Å; P457-F459 HydrophobicContact CG-CE2 4.49Å; P457-F459 HydrophobicContact CG-CZ 3.94Å; P457-F459 WeakPolarHBondContact O-CD2 3.48Å; P457-F459 WeakPolarHBondContact O-CE2 3.44Å; P457-F459 PolarHBondContact O-N 3.16Å
458	S	92.3	Very high	93.1	Very high	42 Å²	42	40 Å²	40	29%	0.294	20%	0.201	S	C	.	.			trans	-72.4	117	-172.7	-169.8	0	0	0	0	113.1	Y62 N460 K470	Y62-S458 WeakPolarHBondContact OH-CA 3.48Å; Y62-S458 PolarHBondContact OH-OG 3.43Å; S458-N460 VanDerWaalsContact C-N 3.26Å; S458-N460 PolarHBondContact O-N 3.02Å; S458-N460 PolarHBondContact OG-N 3.39Å; S458-K470 WeakPolarHBondContact O-CE 3.21Å; S458-K470 PolarHBondContact O-NZ 3.21Å
459	F	94.3	Very high	92.9	Very high	10 Å²	10	40 Å²	40	4%	0.044	20%	0.2	C	C	.	.			trans	-86.6	18.8	173.3	-55	-68.5	0	0	0	113.8	Y62 I64 V65 W89 I435 P457 K470 L473 L474	Y62-F459 VanDerWaalsContact CD1-C 3.4Å; Y62-F459 HydrophobicContact CD1-CB 3.76Å; Y62-F459 HydrophobicContact CD2-CB 4.11Å; Y62-F459 HydrophobicContact CD2-CD2 4.01Å; Y62-F459 HydrophobicContact CE1-CB 4.12Å; Y62-F459 HydrophobicContact CE2-CB 4.46Å; Y62-F459 HydrophobicContact CE2-CD2 4.15Å; Y62-F459 HydrophobicContact CG-CB 3.76Å; Y62-F459 HydrophobicContact CG-CD2 4.49Å; I64-F459 HydrophobicContact CG2-CB 4.1Å; I64-F459 WeakPolarHBondContact CG2-O 3.47Å; V65-F459 HydrophobicContact CG2-CD2 4.49Å; W89-F459 AromaticContact CZ2-CE2 3.95Å; W89-F459 HydrophobicContact CZ2-CE2 3.95Å; W89-F459 HydrophobicContact CZ2-CZ 4.38Å; I435-F459 HydrophobicContact CB-CZ 4.42Å; I435-F459 HydrophobicContact CD1-CZ 4.27Å; I435-F459 HydrophobicContact CG2-CZ 4.25Å; P457-F459 HydrophobicContact CG-CE1 4.4Å; P457-F459 HydrophobicContact CG-CE2 4.49Å; P457-F459 HydrophobicContact CG-CZ 3.94Å; P457-F459 WeakPolarHBondContact O-CD2 3.48Å; P457-F459 WeakPolarHBondContact O-CE2 3.44Å; P457-F459 PolarHBondContact O-N 3.16Å; F459-K470 HydrophobicContact CD1-CG 4.43Å; F459-L473 HydrophobicContact CE1-CD2 3.89Å; F459-L474 HydrophobicContact CD1-CD1 4.35Å; F459-L474 HydrophobicContact CD1-CD2 4.32Å; F459-L474 HydrophobicContact CD1-CG 4.46Å; F459-L474 HydrophobicContact CE1-CD2 4.12Å; F459-L474 HydrophobicContact CZ-CD2 4.33Å
460	N	92.9	Very high	92.8	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.332	19%	0.19	S	C	.	.			trans	-53.6	148.2	167.7	-98.5	52.2	0	0	0	111.5	Y62 S458 D462 K470	Y62-N460 VanDerWaalsContact CE1-N 3.32Å; Y62-N460 WeakPolarHBondContact CE1-OD1 3.43Å; S458-N460 VanDerWaalsContact C-N 3.26Å; S458-N460 PolarHBondContact O-N 3.02Å; S458-N460 PolarHBondContact OG-N 3.39Å; N460-D462 VanDerWaalsContact CB-OD1 3.3Å; N460-D462 WeakPolarHBondContact CB-OD1 3.27Å; N460-D462 PolarHBondContact ND2-OD1 2.92Å; N460-D462 PolarHBondContact ND2-OD2 2.79Å; N460-K470 VanDerWaalsContact O-CD 3.3Å; N460-K470 WeakPolarHBondContact O-CD 3.39Å; N460-K470 PolarHBondContact O-NZ 3.18Å
461	I	91.2	Very high	92.7	Very high	68 Å²	68	40.4 Å²	40.4	35%	0.349	20%	0.202	S	C	.	.			trans	-124.2	42.6	-176.1	55.6	171.8	0	0	0	112.7	I64 Q463 K467	I64-I461 HydrophobicContact CB-CG2 4.39Å; I64-I461 HydrophobicContact CD1-CG2 3.6Å; I64-I461 HydrophobicContact CG2-CG2 4.34Å; I461-Q463 PolarHBondContact O-N 2.91Å; I461-Q463 VanDerWaalsContact O-N 3.14Å; I461-K467 HydrophobicContact CB-CB 4.23Å; I461-K467 HydrophobicContact CG2-CB 4.22Å
462	D	88.5	Confident	92.7	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.342	21%	0.209	S	C	.	.	S	Bend	trans	-64.7	-13.9	-174.2	-54.2	14.8	0	0	0	113.4	Y268 K272 N460	Y268-D462 HydrophobicContact CE1-CB 4.26Å; Y268-D462 WeakPolarHBondContact CE1-OD2 3.28Å; Y268-D462 WeakPolarHBondContact OH-CB 3.29Å; Y268-D462 PolarHBondContact OH-OD2 2.69Å; K272-D462 IonicContact NZ-OD2 2.72Å; N460-D462 VanDerWaalsContact CB-OD1 3.3Å; N460-D462 WeakPolarHBondContact CB-OD1 3.27Å; N460-D462 PolarHBondContact ND2-OD1 2.92Å; N460-D462 PolarHBondContact ND2-OD2 2.79Å
463	Q	88.3	Confident	92.8	Very high	19 Å²	19	40.9 Å²	40.9	9%	0.089	21%	0.206	C	C	.	.	S	Bend	trans	-137.2	158.9	171.1	-67.5	175.3	-94.5	0	0	111.3	S280 I461 L465 D466 K467	S280-Q463 PolarHBondContact O-NE2 3.49Å; I461-Q463 PolarHBondContact O-N 2.91Å; I461-Q463 VanDerWaalsContact O-N 3.14Å; Q463-L465 VanDerWaalsContact C-N 3.28Å; Q463-L465 PolarHBondContact O-N 2.8Å; Q463-D466 PolarHBondContact N-OD2 3.4Å; Q463-D466 WeakPolarHBondContact O-CB 3.19Å; Q463-D466 PolarHBondContact O-N 3.44Å; Q463-D466 VanDerWaalsContact O-N 3.11Å; Q463-K467 PolarHBondContact O-N 3.16Å; Q463-K467 VanDerWaalsContact O-N 3.15Å
464	Q	89.5	Confident	92.8	Very high	106 Å²	106	40.8 Å²	40.8	50%	0.495	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-34.4	180	179.2	64.8	-6.9	0	0	113	K467 Q468	Q464-K467 WeakPolarHBondContact O-CB 3.42Å; Q464-K467 PolarHBondContact O-N 3.49Å; Q464-Q468 WeakPolarHBondContact O-CG 3.29Å; Q464-Q468 PolarHBondContact O-N 3.12Å
465	L	90.9	Very high	92.9	Very high	21 Å²	21	40.1 Å²	40.1	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-43.8	173	179.9	63.7	0	0	0	112.1	L242 K288 Q463 K467 Q468 I469	L242-L465 HydrophobicContact CD2-CD2 4.36Å; L242-L465 HydrophobicContact CD2-CG 4.27Å; K288-L465 HydrophobicContact CG-CD2 4.25Å; Q463-L465 VanDerWaalsContact C-N 3.28Å; Q463-L465 PolarHBondContact O-N 2.8Å; L465-K467 VanDerWaalsContact C-N 3.32Å; L465-K467 PolarHBondContact O-N 3.08Å; L465-Q468 PolarHBondContact O-N 3.16Å; L465-I469 HydrophobicContact CD1-CD1 3.65Å; L465-I469 HydrophobicContact CD1-CG1 4.33Å; L465-I469 HydrophobicContact CG-CD1 4Å; L465-I469 PolarHBondContact O-N 3.4Å
466	D	92.4	Very high	93.1	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-46.8	173.6	-72.6	-80.3	0	0	0	110.5	L242 K288 Q463 I469 K470	L242-D466 WeakPolarHBondContact CD1-OD1 3.45Å; K288-D466 IonicContact NZ-OD1 3.02Å; K288-D466 IonicContact NZ-OD2 3.23Å; K288-D466 PolarHBondContact NZ-OD2 2.65Å; Q463-D466 PolarHBondContact N-OD2 3.4Å; Q463-D466 WeakPolarHBondContact O-CB 3.19Å; Q463-D466 PolarHBondContact O-N 3.44Å; Q463-D466 VanDerWaalsContact O-N 3.11Å; D466-I469 PolarHBondContact O-N 2.95Å; D466-K470 HydrophobicContact CB-CD 4.11Å; D466-K470 WeakPolarHBondContact O-CB 3.32Å; D466-K470 WeakPolarHBondContact O-CD 3.38Å; D466-K470 VanDerWaalsContact O-CG 3.29Å; D466-K470 WeakPolarHBondContact O-CG 3.06Å; D466-K470 PolarHBondContact O-N 3.25Å; D466-K470 IonicContact OD1-NZ 3.92Å; D466-K470 PolarHBondContact OD1-NZ 3.27Å
467	K	93.1	Very high	93.4	Very high	90 Å²	90	36.8 Å²	36.8	39%	0.391	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-48.4	179.1	-172.4	177.8	-179.5	176.6	0	111.7	I461 Q463 Q464 L465 Y471	I461-K467 HydrophobicContact CB-CB 4.23Å; I461-K467 HydrophobicContact CG2-CB 4.22Å; Q463-K467 PolarHBondContact O-N 3.16Å; Q463-K467 VanDerWaalsContact O-N 3.15Å; Q464-K467 WeakPolarHBondContact O-CB 3.42Å; Q464-K467 PolarHBondContact O-N 3.49Å; L465-K467 VanDerWaalsContact C-N 3.32Å; L465-K467 PolarHBondContact O-N 3.08Å; K467-Y471 WeakPolarHBondContact O-CB 3.23Å; K467-Y471 PolarHBondContact O-N 3.39Å
468	Q	92.1	Very high	93.5	Very high	104 Å²	104	36.8 Å²	36.8	49%	0.486	18%	0.183	S	C	.	.	H	α-helix	trans	-60.2	-47.4	180	-75.5	174.3	-18.3	0	0	112.5	Q464 L465 N472	Q464-Q468 WeakPolarHBondContact O-CG 3.29Å; Q464-Q468 PolarHBondContact O-N 3.12Å; L465-Q468 PolarHBondContact O-N 3.16Å; Q468-N472 PolarHBondContact O-ND2 3.02Å
469	I	94.2	Very high	93.5	Very high	9 Å²	9	37 Å²	37	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-70.4	-50	-177.9	-69	166.9	0	0	0	110.4	Y224 Y238 E240 G241 L242 L465 D466 Y471 N472 L473	Y224-I469 HydrophobicContact CE2-CG2 4.13Å; Y238-I469 HydrophobicContact CE1-CG2 4.35Å; E240-I469 HydrophobicContact CB-CG1 4.34Å; E240-I469 HydrophobicContact CB-CG2 4.49Å; G241-I469 WeakPolarHBondContact O-CD1 3.4Å; L242-I469 HydrophobicContact CD2-CD1 3.63Å; L465-I469 HydrophobicContact CD1-CD1 3.65Å; L465-I469 HydrophobicContact CD1-CG1 4.33Å; L465-I469 HydrophobicContact CG-CD1 4Å; L465-I469 PolarHBondContact O-N 3.4Å; D466-I469 PolarHBondContact O-N 2.95Å; I469-Y471 PolarHBondContact O-N 3.17Å; I469-N472 PolarHBondContact O-N 3Å; I469-L473 WeakPolarHBondContact O-CB 3.39Å; I469-L473 PolarHBondContact O-N 3.48Å
470	K	96	Very high	93.3	Very high	7 Å²	7	37 Å²	37	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-71.1	-33.6	-173	-67.3	160.3	177.6	173.3	0	113.2	I64 Y224 S458 F459 N460 D466 L474	I64-K470 HydrophobicContact CD1-CB 4.2Å; Y224-K470 WeakPolarHBondContact OH-CE 3.33Å; S458-K470 WeakPolarHBondContact O-CE 3.21Å; S458-K470 PolarHBondContact O-NZ 3.21Å; F459-K470 HydrophobicContact CD1-CG 4.43Å; N460-K470 VanDerWaalsContact O-CD 3.3Å; N460-K470 WeakPolarHBondContact O-CD 3.39Å; N460-K470 PolarHBondContact O-NZ 3.18Å; D466-K470 HydrophobicContact CB-CD 4.11Å; D466-K470 WeakPolarHBondContact O-CB 3.32Å; D466-K470 WeakPolarHBondContact O-CD 3.38Å; D466-K470 VanDerWaalsContact O-CG 3.29Å; D466-K470 WeakPolarHBondContact O-CG 3.06Å; D466-K470 PolarHBondContact O-N 3.25Å; D466-K470 IonicContact OD1-NZ 3.92Å; D466-K470 PolarHBondContact OD1-NZ 3.27Å; K470-L474 WeakPolarHBondContact O-CB 3.23Å; K470-L474 WeakPolarHBondContact O-CD1 3.36Å; K470-L474 VanDerWaalsContact O-CG 3.26Å; K470-L474 WeakPolarHBondContact O-CG 3.06Å; K470-L474 PolarHBondContact O-N 2.85Å
471	Y	96.5	Very high	93.2	Very high	67 Å²	67	35 Å²	35	26%	0.263	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-51	175	175.8	-96.4	0	0	0	111.3	C68 E71 K467 I469 L474 T475	C68-Y471 VanDerWaalsContact SG-CD2 3.55Å; E71-Y471 VanDerWaalsContact OE2-CE2 3.23Å; E71-Y471 WeakPolarHBondContact OE2-CE2 3.27Å; E71-Y471 VanDerWaalsContact OE2-CZ 3.29Å; E71-Y471 PolarHBondContact OE2-OH 3.49Å; K467-Y471 WeakPolarHBondContact O-CB 3.23Å; K467-Y471 PolarHBondContact O-N 3.39Å; I469-Y471 PolarHBondContact O-N 3.17Å; Y471-L474 PolarHBondContact O-N 3.03Å; Y471-T475 VanDerWaalsContact O-CB 3.32Å; Y471-T475 WeakPolarHBondContact O-CB 3.26Å; Y471-T475 PolarHBondContact O-N 3.49Å; Y471-T475 PolarHBondContact O-OG1 3.34Å; Y471-T475 VanDerWaalsContact O-OG1 3.13Å
472	N	95.7	Very high	93.1	Very high	67 Å²	67	31.9 Å²	31.9	36%	0.358	15%	0.15	S	C	.	.	H	α-helix	trans	-66.9	-40.9	-179.8	-68.7	-56.3	0	0	0	111.4	Y238 Q468 I469 L474 T475 D476	Y238-N472 VanDerWaalsContact OH-C 3.24Å; Y238-N472 WeakPolarHBondContact OH-CB 3.48Å; Q468-N472 PolarHBondContact O-ND2 3.02Å; I469-N472 PolarHBondContact O-N 3Å; N472-L474 PolarHBondContact O-N 2.98Å; N472-T475 PolarHBondContact O-N 2.66Å; N472-D476 WeakPolarHBondContact O-CB 3.35Å; N472-D476 PolarHBondContact O-N 3.5Å
473	L	96.9	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.4	-49.7	174.7	177.2	76.8	0	0	0	112.1	Y224 Y238 F459 I469 T477 W616	Y224-L473 HydrophobicContact CD1-CD2 3.62Å; Y224-L473 HydrophobicContact CD2-CD2 4.19Å; Y224-L473 HydrophobicContact CE1-CD2 3.85Å; Y224-L473 HydrophobicContact CE2-CD2 4.41Å; Y224-L473 HydrophobicContact CG-CD1 4.06Å; Y224-L473 HydrophobicContact CG-CD2 3.79Å; Y238-L473 HydrophobicContact CD1-CB 4.31Å; Y238-L473 HydrophobicContact CD1-CD1 3.61Å; Y238-L473 HydrophobicContact CD2-CD1 3.68Å; Y238-L473 HydrophobicContact CE1-CB 3.96Å; Y238-L473 HydrophobicContact CE1-CD1 4.1Å; Y238-L473 HydrophobicContact CE2-CB 4.37Å; Y238-L473 HydrophobicContact CE2-CD1 4.15Å; Y238-L473 HydrophobicContact CG-CD1 3.41Å; Y238-L473 VanDerWaalsContact CG-CD1 3.41Å; Y238-L473 PolarHBondContact OH-N 2.82Å; Y238-L473 VanDerWaalsContact OH-N 3.17Å; F459-L473 HydrophobicContact CE1-CD2 3.89Å; I469-L473 WeakPolarHBondContact O-CB 3.39Å; I469-L473 PolarHBondContact O-N 3.48Å; L473-T477 WeakPolarHBondContact O-CB 3.33Å; L473-T477 PolarHBondContact O-N 3.1Å; L473-T477 VanDerWaalsContact O-N 3.12Å; L473-T477 PolarHBondContact O-OG1 3.09Å; L473-W616 HydrophobicContact CD1-CH2 3.47Å; L473-W616 VanDerWaalsContact CD1-CH2 3.47Å; L473-W616 HydrophobicContact CD1-CZ2 3.28Å; L473-W616 HydrophobicContact CD1-CZ3 4.43Å; L473-W616 HydrophobicContact CG-CZ2 4.19Å
474	L	97	Very high	93.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-69.9	-47.6	179.2	-69	168.3	0	0	0	111.4	I64 V65 C68 W89 I435 F459 K470 Y471 N472 D476 T477 I478	I64-L474 HydrophobicContact CG1-CD1 4.14Å; I64-L474 HydrophobicContact CG2-CD1 3.98Å; V65-L474 HydrophobicContact CG2-CD1 3.83Å; V65-L474 HydrophobicContact CG2-CD2 4.23Å; C68-L474 HydrophobicContact CB-CB 4.07Å; W89-L474 HydrophobicContact CH2-CD2 3.42Å; W89-L474 VanDerWaalsContact CH2-CD2 3.42Å; W89-L474 HydrophobicContact CZ2-CD2 3.79Å; W89-L474 HydrophobicContact CZ3-CD2 4.33Å; I435-L474 HydrophobicContact CD1-CD2 4.24Å; F459-L474 HydrophobicContact CD1-CD1 4.35Å; F459-L474 HydrophobicContact CD1-CD2 4.32Å; F459-L474 HydrophobicContact CD1-CG 4.46Å; F459-L474 HydrophobicContact CE1-CD2 4.12Å; F459-L474 HydrophobicContact CZ-CD2 4.33Å; K470-L474 WeakPolarHBondContact O-CB 3.23Å; K470-L474 WeakPolarHBondContact O-CD1 3.36Å; K470-L474 VanDerWaalsContact O-CG 3.26Å; K470-L474 WeakPolarHBondContact O-CG 3.06Å; K470-L474 PolarHBondContact O-N 2.85Å; Y471-L474 PolarHBondContact O-N 3.03Å; N472-L474 PolarHBondContact O-N 2.98Å; L474-D476 PolarHBondContact O-N 3.35Å; L474-T477 WeakPolarHBondContact O-CB 3.48Å; L474-T477 PolarHBondContact O-N 3.04Å; L474-I478 WeakPolarHBondContact O-CD1 3.48Å; L474-I478 VanDerWaalsContact O-CG1 3.26Å; L474-I478 WeakPolarHBondContact O-CG1 3.29Å; L474-I478 PolarHBondContact O-N 3.5Å
475	T	95.6	Very high	93.1	Very high	17 Å²	17	24.9 Å²	24.9	10%	0.104	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-42.1	179.9	-69.5	0	0	0	0	112.7	C68 Y471 N472 I478 R479	C68-T475 PolarHBondContact SG-OG1 3.24Å; Y471-T475 VanDerWaalsContact O-CB 3.32Å; Y471-T475 WeakPolarHBondContact O-CB 3.26Å; Y471-T475 PolarHBondContact O-N 3.49Å; Y471-T475 PolarHBondContact O-OG1 3.34Å; Y471-T475 VanDerWaalsContact O-OG1 3.13Å; N472-T475 PolarHBondContact O-N 2.66Å; T475-I478 PolarHBondContact O-N 3.35Å; T475-R479 PolarHBondContact O-N 3.25Å
476	D	95.6	Very high	92.9	Very high	13 Å²	13	25 Å²	25	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-72.6	-32.6	177.4	-74.9	-4.7	0	0	0	111.8	N472 L474 R479 L480 G614 N615	N472-D476 WeakPolarHBondContact O-CB 3.35Å; N472-D476 PolarHBondContact O-N 3.5Å; L474-D476 PolarHBondContact O-N 3.35Å; D476-R479 PolarHBondContact O-N 3.27Å; D476-R479 IonicContact OD1-CZ 3.12Å; D476-R479 IonicContact OD1-NH1 2.75Å; D476-R479 PolarHBondContact OD1-NH1 3.41Å; D476-R479 IonicContact OD1-NH2 3.26Å; D476-R479 PolarHBondContact OD1-NH2 3.46Å; D476-L480 VanDerWaalsContact O-CB 3.32Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 PolarHBondContact O-N 2.93Å; D476-G614 WeakPolarHBondContact OD2-CA 3.32Å; D476-N615 PolarHBondContact OD2-N 3.22Å
477	T	96.1	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-50.6	170	-56.7	0	0	0	0	111.3	L226 F433 I435 L473 L474 R479 L480 L481 W616	L226-T477 HydrophobicContact CD1-CG2 4.14Å; L226-T477 HydrophobicContact CD2-CG2 3.96Å; F433-T477 HydrophobicContact CD2-CG2 4.2Å; F433-T477 HydrophobicContact CE2-CG2 4.09Å; I435-T477 HydrophobicContact CD1-CG2 4.14Å; I435-T477 HydrophobicContact CG1-CG2 4.46Å; L473-T477 WeakPolarHBondContact O-CB 3.33Å; L473-T477 PolarHBondContact O-N 3.1Å; L473-T477 VanDerWaalsContact O-N 3.12Å; L473-T477 PolarHBondContact O-OG1 3.09Å; L474-T477 WeakPolarHBondContact O-CB 3.48Å; L474-T477 PolarHBondContact O-N 3.04Å; T477-R479 PolarHBondContact O-N 3.26Å; T477-L480 PolarHBondContact O-N 2.93Å; T477-L480 VanDerWaalsContact O-N 3.07Å; T477-L481 HydrophobicContact CG2-CD1 4.38Å; T477-L481 WeakPolarHBondContact O-CG 3.46Å; T477-L481 PolarHBondContact O-N 2.9Å; T477-W616 WeakPolarHBondContact OG1-CZ2 3.41Å; T477-W616 PolarHBondContact OG1-NE1 3.17Å; T477-W616 VanDerWaalsContact OG1-NE1 3.09Å
478	I	94	Very high	92.3	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-29.4	-178.7	-61.9	156.4	0	0	0	111.6	C68 I69 A72 F74 L474 T475	C68-I478 HydrophobicContact CB-CD1 3.79Å; I69-I478 HydrophobicContact CG1-CD1 3.55Å; I69-I478 HydrophobicContact CG1-CG1 4.33Å; A72-I478 HydrophobicContact CB-CB 4.38Å; A72-I478 HydrophobicContact CB-CG2 3.46Å; A72-I478 VanDerWaalsContact CB-CG2 3.46Å; F74-I478 HydrophobicContact CD2-CG2 4.5Å; F74-I478 HydrophobicContact CE2-CG2 3.7Å; L474-I478 WeakPolarHBondContact O-CD1 3.48Å; L474-I478 VanDerWaalsContact O-CG1 3.26Å; L474-I478 WeakPolarHBondContact O-CG1 3.29Å; L474-I478 PolarHBondContact O-N 3.5Å; T475-I478 PolarHBondContact O-N 3.35Å
479	R	91.9	Very high	92.1	Very high	48 Å²	48	21.3 Å²	21.3	18%	0.181	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-52.3	168.9	-170.5	-179	-49.2	115.3	15.4	111.4	Y41 T475 D476 T477 L481 N482 Y608 N612	Y41-R479 HydrophobicContact CD2-CB 4.4Å; Y41-R479 HydrophobicContact CD2-CG 3.67Å; Y41-R479 HydrophobicContact CE2-CB 3.95Å; Y41-R479 HydrophobicContact CE2-CG 3.74Å; Y41-R479 HydrophobicContact CG-CG 4.13Å; T475-R479 PolarHBondContact O-N 3.25Å; D476-R479 PolarHBondContact O-N 3.27Å; D476-R479 IonicContact OD1-CZ 3.12Å; D476-R479 IonicContact OD1-NH1 2.75Å; D476-R479 PolarHBondContact OD1-NH1 3.41Å; D476-R479 IonicContact OD1-NH2 3.26Å; D476-R479 PolarHBondContact OD1-NH2 3.46Å; T477-R479 PolarHBondContact O-N 3.26Å; R479-L481 PolarHBondContact O-N 2.78Å; R479-N482 PolarHBondContact O-N 3.03Å; R479-N482 VanDerWaalsContact O-N 3.15Å; R479-Y608 PolarHBondContact O-OH 3.05Å; R479-N612 HydrophobicContact CG-CB 4.26Å
480	L	91.3	Very high	91.4	Very high	9 Å²	9	24 Å²	24	5%	0.047	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-32	-175.8	-175.6	54.8	0	0	0	113	L226 T228 F236 D476 T477 N482 E609 C613 W616	L226-L480 HydrophobicContact CD2-CD2 3.83Å; T228-L480 HydrophobicContact CG2-CD2 4.19Å; F236-L480 HydrophobicContact CD1-CD2 4.29Å; F236-L480 HydrophobicContact CE1-CD2 4.14Å; F236-L480 HydrophobicContact CE2-CD2 4.45Å; F236-L480 HydrophobicContact CZ-CD2 4.22Å; D476-L480 VanDerWaalsContact O-CB 3.32Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 PolarHBondContact O-N 2.93Å; T477-L480 PolarHBondContact O-N 2.93Å; T477-L480 VanDerWaalsContact O-N 3.07Å; L480-N482 PolarHBondContact O-N 3.41Å; L480-E609 HydrophobicContact CD1-CB 3.81Å; L480-E609 HydrophobicContact CD1-CG 3.87Å; L480-C613 HydrophobicContact CD1-CB 4.46Å; L480-W616 HydrophobicContact CD2-CB 4.48Å; L480-W616 HydrophobicContact CD2-CG 4.42Å
481	L	91.1	Very high	90.7	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.099	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.6	177.6	-68.5	173.6	0	0	0	115.3	L87 F433 T477 R479 I483	L87-L481 HydrophobicContact CD1-CD1 4.49Å; F433-L481 HydrophobicContact CB-CD2 3.78Å; F433-L481 HydrophobicContact CD1-CD1 3.81Å; F433-L481 HydrophobicContact CD1-CD2 3.59Å; F433-L481 HydrophobicContact CD1-CG 4.37Å; F433-L481 HydrophobicContact CD2-CD1 4.26Å; F433-L481 HydrophobicContact CD2-CD2 4.21Å; F433-L481 HydrophobicContact CE1-CD1 3.54Å; F433-L481 HydrophobicContact CE1-CD2 4.22Å; F433-L481 HydrophobicContact CE2-CD1 4.01Å; F433-L481 HydrophobicContact CG-CD1 4.17Å; F433-L481 HydrophobicContact CG-CD2 3.58Å; F433-L481 HydrophobicContact CG-CG 4.47Å; F433-L481 HydrophobicContact CZ-CD1 3.65Å; T477-L481 HydrophobicContact CG2-CD1 4.38Å; T477-L481 WeakPolarHBondContact O-CG 3.46Å; T477-L481 PolarHBondContact O-N 2.9Å; R479-L481 PolarHBondContact O-N 2.78Å; L481-I483 HydrophobicContact CB-CD1 4.42Å; L481-I483 HydrophobicContact CB-CG1 4.13Å; L481-I483 PolarHBondContact O-N 3.24Å
482	N	88.4	Confident	89.9	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.119	C	C	.	.			trans	52.1	29.2	172.1	-163	11.6	0	0	0	115.4	Y429 R479 L480 R484 Y608	Y429-N482 HydrophobicContact CE1-CB 4.14Å; Y429-N482 PolarHBondContact OH-ND2 2.83Å; R479-N482 PolarHBondContact O-N 3.03Å; R479-N482 VanDerWaalsContact O-N 3.15Å; L480-N482 PolarHBondContact O-N 3.41Å; N482-R484 PolarHBondContact O-N 3.07Å; N482-R484 PolarHBondContact OD1-NE 2.99Å; N482-Y608 HydrophobicContact CB-CD1 3.88Å; N482-Y608 HydrophobicContact CB-CE1 3.41Å; N482-Y608 VanDerWaalsContact CB-CE1 3.41Å; N482-Y608 HydrophobicContact CB-CE2 4.39Å; N482-Y608 VanDerWaalsContact CG-CZ 3.4Å; N482-Y608 WeakPolarHBondContact OD1-CE2 3.49Å
483	I	90.5	Very high	89.1	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.124	C	C	.	.			trans	-63.8	124.4	179.4	-56.7	177	0	0	0	109.2	R48 F74 Y86 L87 R107 L481	R48-I483 PolarHBondContact NE-O 2.62Å; R48-I483 PolarHBondContact NH2-O 3.03Å; F74-I483 HydrophobicContact CE1-CB 4.42Å; F74-I483 HydrophobicContact CE1-CD1 4.32Å; F74-I483 HydrophobicContact CE1-CG2 4.07Å; F74-I483 HydrophobicContact CZ-CB 4.1Å; F74-I483 HydrophobicContact CZ-CD1 4.05Å; F74-I483 HydrophobicContact CZ-CG2 4.26Å; Y86-I483 HydrophobicContact CD1-CG2 4.03Å; Y86-I483 HydrophobicContact CG-CG2 4.43Å; L87-I483 HydrophobicContact CB-CD1 3.97Å; L87-I483 HydrophobicContact CD1-CD1 4.2Å; L87-I483 HydrophobicContact CG-CD1 4.49Å; R107-I483 HydrophobicContact CB-CD1 3.95Å; R107-I483 HydrophobicContact CG-CD1 3.59Å; R107-I483 HydrophobicContact CG-CG1 3.7Å; L481-I483 HydrophobicContact CB-CD1 4.42Å; L481-I483 HydrophobicContact CB-CG1 4.13Å; L481-I483 PolarHBondContact O-N 3.24Å
484	R	88.1	Confident	87.8	Confident	34 Å²	34	29.1 Å²	29.1	13%	0.128	14%	0.141	C	C	.	.			trans	-118.1	149.7	-178.2	-71.7	-176.7	177.9	-147.8	0.9	112.2	N482 S486 D487 D706	N482-R484 PolarHBondContact O-N 3.07Å; N482-R484 PolarHBondContact OD1-NE 2.99Å; R484-S486 VanDerWaalsContact C-N 3.27Å; R484-S486 PolarHBondContact O-N 3.13Å; R484-D487 PolarHBondContact N-OD2 3.29Å; R484-D487 VanDerWaalsContact O-CB 3.29Å; R484-D487 WeakPolarHBondContact O-CB 3.41Å; R484-D487 PolarHBondContact O-N 3.26Å; R484-D487 VanDerWaalsContact O-N 3.09Å; R484-D706 IonicContact NH1-OD2 2.72Å
485	P	87.4	Confident	86.7	Confident	7 Å²	7	32.7 Å²	32.7	5%	0.045	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-41.7	170.8	-21.1	31.2	0	0	0	112.6	E47 R48 E51 I53 Y86 D487	E47-P485 HydrophobicContact CB-CG 3.89Å; R48-P485 HydrophobicContact CG-CG 4.37Å; E51-P485 HydrophobicContact CB-CB 4.05Å; E51-P485 VanDerWaalsContact CD-CB 3.5Å; E51-P485 HydrophobicContact CG-CB 4.35Å; E51-P485 WeakPolarHBondContact OE2-CB 3.33Å; I53-P485 HydrophobicContact CD1-CB 3.81Å; I53-P485 HydrophobicContact CD1-CG 4.35Å; I53-P485 HydrophobicContact CG1-CB 3.91Å; I53-P485 HydrophobicContact CG1-CG 3.89Å; Y86-P485 PolarHBondContact OH-O 3.15Å; P485-D487 PolarHBondContact O-N 3.45Å
486	S	86.1	Confident	85.8	Confident	23 Å²	23	37.8 Å²	37.8	16%	0.161	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	0.2	177.2	54.5	0	0	0	0	115.1	R484 S489 R490 D706	R484-S486 VanDerWaalsContact C-N 3.27Å; R484-S486 PolarHBondContact O-N 3.13Å; S486-S489 PolarHBondContact O-OG 3.33Å; S486-R490 WeakPolarHBondContact O-CB 3.46Å; S486-R490 PolarHBondContact O-N 2.95Å; S486-R490 VanDerWaalsContact O-N 3.16Å; S486-D706 PolarHBondContact OG-OD2 2.94Å
487	D	87	Confident	84.7	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-45.7	178.4	-77.7	-32.9	0	0	0	113.3	Y86 R107 R484 P485 R490 V491	Y86-D487 HydrophobicContact CE1-CB 4.32Å; R107-D487 IonicContact NH2-OD2 3.66Å; R484-D487 PolarHBondContact N-OD2 3.29Å; R484-D487 VanDerWaalsContact O-CB 3.29Å; R484-D487 WeakPolarHBondContact O-CB 3.41Å; R484-D487 PolarHBondContact O-N 3.26Å; R484-D487 VanDerWaalsContact O-N 3.09Å; P485-D487 PolarHBondContact O-N 3.45Å; D487-R490 PolarHBondContact O-N 3.38Å; D487-R490 IonicContact OD1-CZ 2.68Å; D487-R490 IonicContact OD1-NE 3.1Å; D487-R490 IonicContact OD1-NH2 2.84Å; D487-R490 PolarHBondContact OD1-NH2 2.89Å; D487-V491 VanDerWaalsContact O-CG2 3.27Å; D487-V491 WeakPolarHBondContact O-CG2 3.25Å; D487-V491 PolarHBondContact O-N 2.86Å
488	K	87.8	Confident	83.4	Confident	53 Å²	53	43 Å²	43	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-52.1	-177.4	-177	171.2	-175.5	-176.1	0	111.5	D84 Y86 Y105 R490 V491 E492	D84-K488 IonicContact OD1-NZ 2.72Å; D84-K488 PolarHBondContact OD1-NZ 3.02Å; Y86-K488 HydrophobicContact CE1-CB 4.09Å; Y86-K488 WeakPolarHBondContact OH-CB 3.26Å; Y105-K488 HydrophobicContact CD1-CB 3.95Å; Y105-K488 HydrophobicContact CD1-CG 3.86Å; Y105-K488 HydrophobicContact CD2-CB 4.28Å; Y105-K488 HydrophobicContact CE1-CB 4.2Å; Y105-K488 HydrophobicContact CE1-CD 3.98Å; Y105-K488 HydrophobicContact CE1-CG 3.63Å; Y105-K488 HydrophobicContact CE2-CD 4.21Å; Y105-K488 HydrophobicContact CE2-CG 4.44Å; Y105-K488 HydrophobicContact CG-CB 4Å; Y105-K488 HydrophobicContact CG-CG 4.35Å; K488-R490 VanDerWaalsContact C-N 3.3Å; K488-R490 PolarHBondContact O-N 2.94Å; K488-V491 WeakPolarHBondContact O-CB 3.49Å; K488-V491 PolarHBondContact O-N 3.02Å; K488-V491 VanDerWaalsContact O-N 3.14Å; K488-E492 PolarHBondContact O-N 2.75Å
489	S	86.6	Confident	82.3	Confident	65 Å²	65	46.4 Å²	46.4	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-35.1	177.8	61.7	0	0	0	0	112.7	S486 K493	S486-S489 PolarHBondContact O-OG 3.33Å; S489-K493 WeakPolarHBondContact O-CB 3.36Å; S489-K493 PolarHBondContact O-N 3.46Å
490	R	80.2	Confident	81.3	Confident	65 Å²	65	51.4 Å²	51.4	25%	0.245	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-39.9	173.7	-178.4	170.7	64.5	138	-4.3	112.8	S486 D487 K488 Q494	S486-R490 WeakPolarHBondContact O-CB 3.46Å; S486-R490 PolarHBondContact O-N 2.95Å; S486-R490 VanDerWaalsContact O-N 3.16Å; D487-R490 PolarHBondContact O-N 3.38Å; D487-R490 IonicContact OD1-CZ 2.68Å; D487-R490 IonicContact OD1-NE 3.1Å; D487-R490 IonicContact OD1-NH2 2.84Å; D487-R490 PolarHBondContact OD1-NH2 2.89Å; K488-R490 VanDerWaalsContact C-N 3.3Å; K488-R490 PolarHBondContact O-N 2.94Å; R490-Q494 WeakPolarHBondContact O-CB 3.39Å; R490-Q494 PolarHBondContact O-N 2.87Å
491	V	80.2	Confident	80.1	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-52.5	172.7	167.3	0	0	0	0	110.2	P104 M428 D487 K488 K493 Q494 Q495	P104-V491 HydrophobicContact CB-CG1 3.91Å; P104-V491 HydrophobicContact CB-CG2 3.92Å; P104-V491 HydrophobicContact CG-CG1 3.95Å; M428-V491 HydrophobicContact CE-CG2 3.68Å; M428-V491 HydrophobicContact SD-CG2 3.8Å; D487-V491 VanDerWaalsContact O-CG2 3.27Å; D487-V491 WeakPolarHBondContact O-CG2 3.25Å; D487-V491 PolarHBondContact O-N 2.86Å; K488-V491 WeakPolarHBondContact O-CB 3.49Å; K488-V491 PolarHBondContact O-N 3.02Å; K488-V491 VanDerWaalsContact O-N 3.14Å; V491-K493 VanDerWaalsContact C-N 3.35Å; V491-K493 PolarHBondContact O-N 2.87Å; V491-Q494 PolarHBondContact O-N 2.92Å; V491-Q494 VanDerWaalsContact O-N 3.16Å; V491-Q495 HydrophobicContact CG1-CG 4.29Å; V491-Q495 WeakPolarHBondContact O-CG 3.1Å; V491-Q495 PolarHBondContact O-N 3.43Å
492	E	80.8	Confident	79.1	Confident	66 Å²	66	61.5 Å²	61.5	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-43.1	179	-70.4	178	-146.7	0	0	112.5	K488 Q494 Q495 K496	K488-E492 PolarHBondContact O-N 2.75Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.24Å; E492-Q495 PolarHBondContact O-N 2.93Å; E492-K496 HydrophobicContact CB-CD 4.47Å; E492-K496 VanDerWaalsContact O-CB 3.25Å; E492-K496 WeakPolarHBondContact O-CB 3.44Å; E492-K496 WeakPolarHBondContact O-CD 3.02Å; E492-K496 WeakPolarHBondContact O-CG 3.27Å; E492-K496 PolarHBondContact O-N 3.26Å; E492-K496 IonicContact OE2-NZ 3.89Å; E492-K496 PolarHBondContact OE2-NZ 2.94Å
493	K	77.7	Confident	78.3	Confident	107 Å²	107	67 Å²	67	47%	0.465	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-41.8	177.2	-164	168.9	-165	162	0	110.6	S489 V491 L497 D709	S489-K493 WeakPolarHBondContact O-CB 3.36Å; S489-K493 PolarHBondContact O-N 3.46Å; V491-K493 VanDerWaalsContact C-N 3.35Å; V491-K493 PolarHBondContact O-N 2.87Å; K493-L497 WeakPolarHBondContact O-CB 3.45Å; K493-L497 VanDerWaalsContact O-CG 3.23Å; K493-L497 WeakPolarHBondContact O-CG 3.33Å; K493-L497 PolarHBondContact O-N 3Å; K493-D709 IonicContact NZ-OD2 3.12Å; K493-D709 PolarHBondContact NZ-OD2 2.76Å
494	Q	71.1	Confident	77.1	Confident	74 Å²	74	72 Å²	72	35%	0.346	33%	0.334	S	S	.	.	H	α-helix	trans	-70.4	-38.5	175.5	-174.5	60.6	25.5	0	0	112.8	R490 V491 E492 T498	R490-Q494 WeakPolarHBondContact O-CB 3.39Å; R490-Q494 PolarHBondContact O-N 2.87Å; V491-Q494 PolarHBondContact O-N 2.92Å; V491-Q494 VanDerWaalsContact O-N 3.16Å; E492-Q494 VanDerWaalsContact C-N 3.31Å; E492-Q494 PolarHBondContact O-N 3.24Å; Q494-T498 WeakPolarHBondContact O-CB 3.48Å; Q494-T498 PolarHBondContact O-N 2.8Å; Q494-T498 PolarHBondContact O-OG1 3.24Å
495	Q	73.7	Confident	75.6	Confident	75 Å²	75	75.4 Å²	75.4	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-52.6	172.8	-72.8	173	-9.1	0	0	110.5	E103 V491 E492 L497 T498 T499	E103-Q495 PolarHBondContact OE2-NE2 2.67Å; V491-Q495 HydrophobicContact CG1-CG 4.29Å; V491-Q495 WeakPolarHBondContact O-CG 3.1Å; V491-Q495 PolarHBondContact O-N 3.43Å; E492-Q495 PolarHBondContact O-N 2.93Å; Q495-L497 VanDerWaalsContact C-N 3.32Å; Q495-L497 PolarHBondContact O-N 3.41Å; Q495-T498 CarbonylContact O-C 3.58Å; Q495-T498 PolarHBondContact O-N 2.87Å; Q495-T499 PolarHBondContact O-N 3.08Å; Q495-T499 PolarHBondContact O-OG1 3.27Å
496	K	77.1	Confident	73.7	Confident	124 Å²	124	78.7 Å²	78.7	54%	0.539	38%	0.378	S	S	.	.	H	α-helix	trans	-54.9	-43.3	177	-72.3	162	179.7	164	0	111.4	E492 R500	E492-K496 HydrophobicContact CB-CD 4.47Å; E492-K496 VanDerWaalsContact O-CB 3.25Å; E492-K496 WeakPolarHBondContact O-CB 3.44Å; E492-K496 WeakPolarHBondContact O-CD 3.02Å; E492-K496 WeakPolarHBondContact O-CG 3.27Å; E492-K496 PolarHBondContact O-N 3.26Å; E492-K496 IonicContact OE2-NZ 3.89Å; E492-K496 PolarHBondContact OE2-NZ 2.94Å; K496-R500 WeakPolarHBondContact O-CB 3.34Å; K496-R500 WeakPolarHBondContact O-CG 3.3Å; K496-R500 PolarHBondContact O-N 3.19Å; K496-R500 VanDerWaalsContact O-N 3.07Å
497	L	71.6	Confident	71.5	Confident	86 Å²	86	85.5 Å²	85.5	45%	0.45	41%	0.407	S	S	.	.	H	α-helix	trans	-65.1	-40.8	172.9	-75.1	169.5	0	0	0	113.2	K493 Q495 K501	K493-L497 WeakPolarHBondContact O-CB 3.45Å; K493-L497 VanDerWaalsContact O-CG 3.23Å; K493-L497 WeakPolarHBondContact O-CG 3.33Å; K493-L497 PolarHBondContact O-N 3Å; Q495-L497 VanDerWaalsContact C-N 3.32Å; Q495-L497 PolarHBondContact O-N 3.41Å; L497-K501 WeakPolarHBondContact O-CG 3.45Å; L497-K501 PolarHBondContact O-N 2.92Å
498	T	68.4	Low	69.7	Low	38 Å²	38	88.4 Å²	88.4	23%	0.233	43%	0.428	C	S	.	.	H	α-helix	trans	-70.2	-40.2	-179.7	-56.9	0	0	0	0	111.6	Q494 Q495 K501 R502	Q494-T498 WeakPolarHBondContact O-CB 3.48Å; Q494-T498 PolarHBondContact O-N 2.8Å; Q494-T498 PolarHBondContact O-OG1 3.24Å; Q495-T498 CarbonylContact O-C 3.58Å; Q495-T498 PolarHBondContact O-N 2.87Å; T498-K501 PolarHBondContact O-N 3.01Å; T498-R502 WeakPolarHBondContact O-CG 3.09Å; T498-R502 PolarHBondContact O-N 2.92Å
499	T	71.7	Confident	67.8	Low	72 Å²	72	90.7 Å²	90.7	44%	0.442	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-45.1	174.5	-61.5	0	0	0	0	111.2	Q495 K501 R502 L503	Q495-T499 PolarHBondContact O-N 3.08Å; Q495-T499 PolarHBondContact O-OG1 3.27Å; T499-K501 VanDerWaalsContact C-N 3.35Å; T499-K501 PolarHBondContact O-N 3.29Å; T499-R502 PolarHBondContact O-N 2.97Å; T499-R502 VanDerWaalsContact O-N 3.11Å; T499-L503 HydrophobicContact CG2-CD1 3.99Å; T499-L503 HydrophobicContact CG2-CG 4.4Å; T499-L503 WeakPolarHBondContact O-CG 3.45Å; T499-L503 PolarHBondContact O-N 2.92Å
500	R	70.1	Confident	65.8	Low	153 Å²	153	95.1 Å²	95.1	58%	0.577	46%	0.459	S	S	*	.	H	α-helix	trans	-57	-45.5	172.2	-74.5	176.4	178.2	-172.2	-1.2	111.9	K496 R502 L503 Y504	K496-R500 WeakPolarHBondContact O-CB 3.34Å; K496-R500 WeakPolarHBondContact O-CG 3.3Å; K496-R500 PolarHBondContact O-N 3.19Å; K496-R500 VanDerWaalsContact O-N 3.07Å; R500-R502 VanDerWaalsContact C-N 3.34Å; R500-R502 PolarHBondContact O-N 3.14Å; R500-L503 PolarHBondContact O-N 3.37Å; R500-Y504 HydrophobicContact CB-CD2 4.4Å; R500-Y504 WeakPolarHBondContact O-CD2 3.32Å; R500-Y504 PolarHBondContact O-N 3.43Å; R500-Y504 VanDerWaalsContact O-N 3.08Å
501	K	66.6	Low	64.2	Low	132 Å²	132	93.6 Å²	93.6	57%	0.574	46%	0.457	S	S	*	.	H	α-helix	trans	-60.8	-37.5	174.3	-76.9	-176.4	176.1	-170.5	0	113.3	L497 T498 T499 N505	L497-K501 WeakPolarHBondContact O-CG 3.45Å; L497-K501 PolarHBondContact O-N 2.92Å; T498-K501 PolarHBondContact O-N 3.01Å; T499-K501 VanDerWaalsContact C-N 3.35Å; T499-K501 PolarHBondContact O-N 3.29Å; K501-N505 VanDerWaalsContact O-CB 3.26Å; K501-N505 WeakPolarHBondContact O-CB 3.46Å; K501-N505 PolarHBondContact O-N 3.21Å
502	R	70	Confident	62.4	Low	108 Å²	108	98.6 Å²	98.6	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-68.9	-42.7	177.2	-74	174	-177.9	165.4	2	112	S339 T498 T499 R500	S339-R502 PolarHBondContact O-NH1 2.93Å; S339-R502 PolarHBondContact O-NH2 3.32Å; T498-R502 WeakPolarHBondContact O-CG 3.09Å; T498-R502 PolarHBondContact O-N 2.92Å; T499-R502 PolarHBondContact O-N 2.97Å; T499-R502 VanDerWaalsContact O-N 3.11Å; R500-R502 VanDerWaalsContact C-N 3.34Å; R500-R502 PolarHBondContact O-N 3.14Å
503	L	71.9	Confident	60.7	Low	118 Å²	118	100.3 Å²	100.3	62%	0.618	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-43	180	-69.2	169.1	0	0	0	112.6	T499 R500	T499-L503 HydrophobicContact CG2-CD1 3.99Å; T499-L503 HydrophobicContact CG2-CG 4.4Å; T499-L503 WeakPolarHBondContact O-CG 3.45Å; T499-L503 PolarHBondContact O-N 2.92Å; R500-L503 PolarHBondContact O-N 3.37Å
504	Y	65.7	Low	59.1	Low	106 Å²	106	103.2 Å²	103.2	42%	0.416	50%	0.5	S	S	.	.	H	α-helix	trans	-97	-2.4	-172	-61.8	-60.4	0	0	0	115.7	R500 S506 T511 M515	R500-Y504 HydrophobicContact CB-CD2 4.4Å; R500-Y504 WeakPolarHBondContact O-CD2 3.32Å; R500-Y504 PolarHBondContact O-N 3.43Å; R500-Y504 VanDerWaalsContact O-N 3.08Å; Y504-S506 VanDerWaalsContact C-N 3.31Å; Y504-T511 HydrophobicContact CD1-CG2 4.04Å; Y504-T511 HydrophobicContact CG-CG2 4.45Å; Y504-M515 VanDerWaalsContact CB-SD 3.57Å; Y504-M515 HydrophobicContact CG-SD 4.39Å
505	N	56.1	Low	57.6	Low	107 Å²	107	102 Å²	102	57%	0.572	50%	0.495	S	S	*	.	S	Bend	trans	-78.2	-13.8	173.8	-101.8	5.5	0	0	0	113.8	K501	K501-N505 VanDerWaalsContact O-CB 3.26Å; K501-N505 WeakPolarHBondContact O-CB 3.46Å; K501-N505 PolarHBondContact O-N 3.21Å
506	S	47.6	Very low	56.2	Low	75 Å²	75	106.8 Å²	106.8	52%	0.524	51%	0.511	S	S	.	.	S	Bend	trans	-96.6	133.2	171.2	-67	0	0	0	0	109.8	Y504	Y504-S506 VanDerWaalsContact C-N 3.31Å
507	H	40.3	Very low	54.6	Low	167 Å²	167	107.7 Å²	107.7	77%	0.773	52%	0.515	S	S	*	.	S	Bend	trans	74.6	117.9	175.5	-46.9	-74.6	0	0	0	117.5	T511	H507-T511 WeakPolarHBondContact O-CB 3.25Å; H507-T511 PolarHBondContact O-OG1 3.01Å
508	S	48.3	Very low	53.1	Low	62 Å²	62	104.8 Å²	104.8	43%	0.434	50%	0.502	S	S	.	.			trans	71.4	138.8	167.8	111.8	0	0	0	0	119.9	Q510 T511	S508-Q510 VanDerWaalsContact C-N 3.28Å; S508-Q510 WeakPolarHBondContact OG-CB 3.36Å; S508-Q510 PolarHBondContact OG-N 2.92Å; S508-T511 WeakPolarHBondContact O-CB 3.37Å; S508-T511 PolarHBondContact O-N 3.22Å; S508-T511 PolarHBondContact OG-N 3.09Å; S508-T511 PolarHBondContact OG-OG1 2.98Å
509	V	48.2	Very low	51.7	Low	101 Å²	101	107 Å²	107	61%	0.612	51%	0.512	S	S	*	.	H	α-helix	trans	-70.2	-26.6	168.7	178	0	0	0	0	111.1	T511 Q512 N513	V509-T511 VanDerWaalsContact C-N 3.3Å; V509-T511 PolarHBondContact O-N 3.43Å; V509-Q512 PolarHBondContact O-N 3.31Å; V509-N513 PolarHBondContact O-N 2.94Å
510	Q	44.4	Very low	50.2	Low	158 Å²	158	106.6 Å²	106.6	74%	0.738	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-40.2	173.1	-64.4	170.4	-18.1	0	0	110.6	S508 Q512 N513 W514	S508-Q510 VanDerWaalsContact C-N 3.28Å; S508-Q510 WeakPolarHBondContact OG-CB 3.36Å; S508-Q510 PolarHBondContact OG-N 2.92Å; Q510-Q512 VanDerWaalsContact C-N 3.33Å; Q510-Q512 PolarHBondContact O-N 3.15Å; Q510-N513 PolarHBondContact O-N 3.3Å; Q510-W514 VanDerWaalsContact O-CB 3.3Å; Q510-W514 WeakPolarHBondContact O-CB 3.1Å; Q510-W514 PolarHBondContact O-N 3.16Å
511	T	46.5	Very low	48.5	Very low	34 Å²	34	103.4 Å²	103.4	21%	0.209	50%	0.501	C	S	.	.	H	α-helix	trans	-61	-40	174	-44.5	0	0	0	0	111.6	Y504 H507 S508 V509 W514 M515	Y504-T511 HydrophobicContact CD1-CG2 4.04Å; Y504-T511 HydrophobicContact CG-CG2 4.45Å; H507-T511 WeakPolarHBondContact O-CB 3.25Å; H507-T511 PolarHBondContact O-OG1 3.01Å; S508-T511 WeakPolarHBondContact O-CB 3.37Å; S508-T511 PolarHBondContact O-N 3.22Å; S508-T511 PolarHBondContact OG-N 3.09Å; S508-T511 PolarHBondContact OG-OG1 2.98Å; V509-T511 VanDerWaalsContact C-N 3.3Å; V509-T511 PolarHBondContact O-N 3.43Å; T511-W514 PolarHBondContact O-N 3.37Å; T511-M515 WeakPolarHBondContact O-CB 3.35Å; T511-M515 PolarHBondContact O-N 2.88Å
512	Q	43.6	Very low	47.1	Very low	108 Å²	108	101.4 Å²	101.4	51%	0.505	50%	0.496	S	S	.	.	H	α-helix	trans	-68.6	-43.3	177.2	-65.7	-170.3	-28.9	0	0	112.1	V509 Q510 W514 M515 Y516	V509-Q512 PolarHBondContact O-N 3.31Å; Q510-Q512 VanDerWaalsContact C-N 3.33Å; Q510-Q512 PolarHBondContact O-N 3.15Å; Q512-W514 VanDerWaalsContact C-N 3.31Å; Q512-W514 PolarHBondContact O-N 2.96Å; Q512-M515 WeakPolarHBondContact O-CB 3.22Å; Q512-M515 PolarHBondContact O-N 3.26Å; Q512-Y516 PolarHBondContact O-N 3.11Å
513	N	43.2	Very low	45.4	Very low	102 Å²	102	103.6 Å²	103.6	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-35.8	172.4	-84.6	-29.5	0	0	0	112.2	V509 Q510 Y516 K517	V509-N513 PolarHBondContact O-N 2.94Å; Q510-N513 PolarHBondContact O-N 3.3Å; N513-Y516 PolarHBondContact O-N 3.24Å; N513-K517 WeakPolarHBondContact O-CB 3.23Å; N513-K517 WeakPolarHBondContact O-CG 3.42Å; N513-K517 PolarHBondContact O-N 3.32Å
514	W	45.4	Very low	43.6	Very low	168 Å²	168	100.8 Å²	100.8	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-71.3	-34.3	174.6	-163.4	91	0	0	0	112.2	Q510 T511 Q512 Y516 S518	Q510-W514 VanDerWaalsContact O-CB 3.3Å; Q510-W514 WeakPolarHBondContact O-CB 3.1Å; Q510-W514 PolarHBondContact O-N 3.16Å; T511-W514 PolarHBondContact O-N 3.37Å; Q512-W514 VanDerWaalsContact C-N 3.31Å; Q512-W514 PolarHBondContact O-N 2.96Å; W514-Y516 VanDerWaalsContact C-N 3.35Å; W514-S518 VanDerWaalsContact O-CB 3.27Å; W514-S518 WeakPolarHBondContact O-CB 3.44Å; W514-S518 PolarHBondContact O-N 3.31Å; W514-S518 PolarHBondContact O-OG 3.39Å
515	M	39.3	Very low	42.2	Very low	47 Å²	47	100 Å²	100	23%	0.232	49%	0.493	C	S	.	.	H	α-helix	trans	-62.8	-39.3	167.4	-86	-170.5	62.8	0	0	112	Y504 T511 Q512 S518 N519	Y504-M515 VanDerWaalsContact CB-SD 3.57Å; Y504-M515 HydrophobicContact CG-SD 4.39Å; T511-M515 WeakPolarHBondContact O-CB 3.35Å; T511-M515 PolarHBondContact O-N 2.88Å; Q512-M515 WeakPolarHBondContact O-CB 3.22Å; Q512-M515 PolarHBondContact O-N 3.26Å; M515-S518 WeakPolarHBondContact CA-OG 3.21Å; M515-S518 PolarHBondContact O-OG 2.88Å; M515-N519 WeakPolarHBondContact O-CB 3.16Å; M515-N519 PolarHBondContact O-N 3.31Å; M515-N519 VanDerWaalsContact O-N 3.07Å; M515-N519 PolarHBondContact O-ND2 2.98Å
516	Y	44.4	Very low	41.4	Very low	177 Å²	177	101.9 Å²	101.9	69%	0.694	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-47.9	176.7	-142.7	-91	0	0	0	110.9	Q512 N513 W514 N519 L520	Q512-Y516 PolarHBondContact O-N 3.11Å; N513-Y516 PolarHBondContact O-N 3.24Å; W514-Y516 VanDerWaalsContact C-N 3.35Å; Y516-N519 PolarHBondContact O-N 3.17Å; Y516-L520 HydrophobicContact CD1-CD1 4.04Å; Y516-L520 HydrophobicContact CE1-CD1 4.39Å; Y516-L520 PolarHBondContact O-N 3.15Å; Y516-L520 VanDerWaalsContact O-N 3.08Å
517	K	42.5	Very low	41	Very low	142 Å²	142	102.1 Å²	102.1	62%	0.617	49%	0.491	S	S	*	.	H	α-helix	trans	-62.1	-40.6	175.3	-74.4	-176.5	175.2	-174	0	113	N513 L520 N521	N513-K517 WeakPolarHBondContact O-CB 3.23Å; N513-K517 WeakPolarHBondContact O-CG 3.42Å; N513-K517 PolarHBondContact O-N 3.32Å; K517-L520 CarbonylContact O-C 3.59Å; K517-L520 WeakPolarHBondContact O-CB 3.48Å; K517-L520 PolarHBondContact O-N 3.49Å; K517-N521 PolarHBondContact O-N 2.87Å; K517-N521 PolarHBondContact O-OD1 3.45Å
518	S	41.7	Very low	40.7	Very low	25 Å²	25	99.5 Å²	99.5	18%	0.175	48%	0.479	C	S	.	.	H	α-helix	trans	-72.6	-32.2	178.9	53.9	0	0	0	0	113.3	W514 M515 L520 N521 I522	W514-S518 VanDerWaalsContact O-CB 3.27Å; W514-S518 WeakPolarHBondContact O-CB 3.44Å; W514-S518 PolarHBondContact O-N 3.31Å; W514-S518 PolarHBondContact O-OG 3.39Å; M515-S518 WeakPolarHBondContact CA-OG 3.21Å; M515-S518 PolarHBondContact O-OG 2.88Å; S518-L520 VanDerWaalsContact C-N 3.3Å; S518-N521 PolarHBondContact O-N 3.35Å; S518-I522 WeakPolarHBondContact O-CB 3.16Å; S518-I522 WeakPolarHBondContact O-CD1 3.43Å; S518-I522 VanDerWaalsContact O-CG1 3.24Å; S518-I522 WeakPolarHBondContact O-CG1 3.5Å; S518-I522 PolarHBondContact O-N 3.38Å
519	N	39.2	Very low	40.3	Very low	85 Å²	85	104.2 Å²	104.2	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-72	-23.6	170.1	-78	-82.5	0	0	0	112.9	M515 Y516 R523	M515-N519 WeakPolarHBondContact O-CB 3.16Å; M515-N519 PolarHBondContact O-N 3.31Å; M515-N519 VanDerWaalsContact O-N 3.07Å; M515-N519 PolarHBondContact O-ND2 2.98Å; Y516-N519 PolarHBondContact O-N 3.17Å; N519-R523 WeakPolarHBondContact O-CG 3.16Å
520	L	38.2	Very low	39.6	Very low	64 Å²	64	104.9 Å²	104.9	34%	0.335	48%	0.483	S	S	.	.	H	α-helix	trans	-74.2	-44.9	165.9	-87.3	157	0	0	0	111.6	Y516 K517 S518 R523 N524	Y516-L520 HydrophobicContact CD1-CD1 4.04Å; Y516-L520 HydrophobicContact CE1-CD1 4.39Å; Y516-L520 PolarHBondContact O-N 3.15Å; Y516-L520 VanDerWaalsContact O-N 3.08Å; K517-L520 CarbonylContact O-C 3.59Å; K517-L520 WeakPolarHBondContact O-CB 3.48Å; K517-L520 PolarHBondContact O-N 3.49Å; S518-L520 VanDerWaalsContact C-N 3.3Å; L520-R523 CarbonylContact O-C 3.59Å; L520-R523 WeakPolarHBondContact O-CA 3.35Å; L520-R523 WeakPolarHBondContact O-CB 3.37Å; L520-R523 PolarHBondContact O-N 3.02Å; L520-R523 VanDerWaalsContact O-N 3.07Å; L520-N524 VanDerWaalsContact O-CG 3.24Å; L520-N524 PolarHBondContact O-N 3.23Å; L520-N524 PolarHBondContact O-OD1 2.99Å
521	N	34.7	Very low	39.1	Very low	86 Å²	86	104.1 Å²	104.1	46%	0.46	48%	0.478	S	S	.	.	H	α-helix	trans	-66.4	-42.3	179.4	-70.1	9.2	0	0	0	111.8	K517 S518 R523 N524 D525	K517-N521 PolarHBondContact O-N 2.87Å; K517-N521 PolarHBondContact O-OD1 3.45Å; S518-N521 PolarHBondContact O-N 3.35Å; N521-R523 PolarHBondContact O-N 2.93Å; N521-R523 VanDerWaalsContact O-N 3.08Å; N521-N524 CarbonylContact O-C 3.56Å; N521-N524 WeakPolarHBondContact O-CA 3.17Å; N521-N524 PolarHBondContact O-N 3.19Å; N521-D525 WeakPolarHBondContact O-CB 3.43Å; N521-D525 PolarHBondContact O-N 3.22Å; N521-D525 VanDerWaalsContact O-OD2 3.13Å
522	I	38.1	Very low	38.7	Very low	89 Å²	89	106.5 Å²	106.5	46%	0.456	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-21.4	173.4	-67.3	164.2	0	0	0	112.5	S518 K526	S518-I522 WeakPolarHBondContact O-CB 3.16Å; S518-I522 WeakPolarHBondContact O-CD1 3.43Å; S518-I522 VanDerWaalsContact O-CG1 3.24Å; S518-I522 WeakPolarHBondContact O-CG1 3.5Å; S518-I522 PolarHBondContact O-N 3.38Å; I522-K526 WeakPolarHBondContact O-CG 3.34Å
523	R	34.9	Very low	38.4	Very low	154 Å²	154	107.3 Å²	107.3	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-80.8	-45.2	167	-76.6	171.8	163.7	151.3	-6.1	111.5	N519 L520 N521 K526 I527	N519-R523 WeakPolarHBondContact O-CG 3.16Å; L520-R523 CarbonylContact O-C 3.59Å; L520-R523 WeakPolarHBondContact O-CA 3.35Å; L520-R523 WeakPolarHBondContact O-CB 3.37Å; L520-R523 PolarHBondContact O-N 3.02Å; L520-R523 VanDerWaalsContact O-N 3.07Å; N521-R523 PolarHBondContact O-N 2.93Å; N521-R523 VanDerWaalsContact O-N 3.08Å; R523-K526 PolarHBondContact O-N 3.43Å; R523-I527 WeakPolarHBondContact O-CD1 3.35Å; R523-I527 VanDerWaalsContact O-CG1 3.3Å; R523-I527 WeakPolarHBondContact O-CG1 3.32Å; R523-I527 PolarHBondContact O-N 3.12Å
524	N	34.2	Very low	38	Very low	59 Å²	59	107.8 Å²	107.8	32%	0.316	50%	0.5	S	S	.	.	H	α-helix	trans	-69.4	-37.1	-177.3	-66.1	-11.3	0	0	0	113	L520 N521 K526 I527 H528	L520-N524 VanDerWaalsContact O-CG 3.24Å; L520-N524 PolarHBondContact O-N 3.23Å; L520-N524 PolarHBondContact O-OD1 2.99Å; N521-N524 CarbonylContact O-C 3.56Å; N521-N524 WeakPolarHBondContact O-CA 3.17Å; N521-N524 PolarHBondContact O-N 3.19Å; N524-K526 VanDerWaalsContact C-N 3.29Å; N524-K526 PolarHBondContact O-N 2.91Å; N524-I527 CarbonylContact O-C 3.53Å; N524-I527 WeakPolarHBondContact O-CA 3.32Å; N524-I527 WeakPolarHBondContact O-CB 3.43Å; N524-I527 PolarHBondContact O-N 3.01Å; N524-H528 PolarHBondContact O-CD2 3.39Å; N524-H528 PolarHBondContact O-N 2.83Å
525	D	36.3	Very low	37.4	Very low	90 Å²	90	109.2 Å²	109.2	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-35.7	175.9	-59.9	-30	0	0	0	111.3	N521 I527 K529	N521-D525 WeakPolarHBondContact O-CB 3.43Å; N521-D525 PolarHBondContact O-N 3.22Å; N521-D525 VanDerWaalsContact O-OD2 3.13Å; D525-I527 PolarHBondContact O-N 3.33Å; D525-K529 WeakPolarHBondContact O-CB 3.35Å; D525-K529 PolarHBondContact O-N 3.2Å
526	K	39.4	Very low	37	Very low	146 Å²	146	112.2 Å²	112.2	64%	0.635	53%	0.531	S	S	*	.	H	α-helix	trans	-73.1	-14.2	171.8	-70.2	-171.1	175.8	-160.5	0	113.4	I522 R523 N524	I522-K526 WeakPolarHBondContact O-CG 3.34Å; R523-K526 PolarHBondContact O-N 3.43Å; N524-K526 VanDerWaalsContact C-N 3.29Å; N524-K526 PolarHBondContact O-N 2.91Å
527	I	37.7	Very low	36.4	Very low	81 Å²	81	108.7 Å²	108.7	42%	0.415	53%	0.532	S	S	.	.	H	α-helix	trans	-92.2	-46.6	173.4	-70.8	165.4	0	0	0	109.7	R523 N524 D525 Y530 F531	R523-I527 WeakPolarHBondContact O-CD1 3.35Å; R523-I527 VanDerWaalsContact O-CG1 3.3Å; R523-I527 WeakPolarHBondContact O-CG1 3.32Å; R523-I527 PolarHBondContact O-N 3.12Å; N524-I527 CarbonylContact O-C 3.53Å; N524-I527 WeakPolarHBondContact O-CA 3.32Å; N524-I527 WeakPolarHBondContact O-CB 3.43Å; N524-I527 PolarHBondContact O-N 3.01Å; D525-I527 PolarHBondContact O-N 3.33Å; I527-Y530 CarbonylContact O-C 3.55Å; I527-Y530 WeakPolarHBondContact O-CA 3.33Å; I527-Y530 WeakPolarHBondContact O-CB 3.27Å; I527-Y530 PolarHBondContact O-N 2.97Å; I527-F531 HydrophobicContact CG2-CD2 3.66Å; I527-F531 HydrophobicContact CG2-CE2 3.67Å; I527-F531 WeakPolarHBondContact O-CD2 3.23Å; I527-F531 PolarHBondContact O-N 2.97Å
528	H	33.7	Very low	35.9	Very low	112 Å²	112	109.5 Å²	109.5	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-58.9	-53.4	174.6	-90.9	-84.3	0	0	0	112	N524 Y530 F531 D532	N524-H528 PolarHBondContact O-CD2 3.39Å; N524-H528 PolarHBondContact O-N 2.83Å; H528-Y530 PolarHBondContact O-N 3.38Å; H528-F531 PolarHBondContact O-N 2.95Å; H528-D532 VanDerWaalsContact C-OD2 3.31Å; H528-D532 IonicContact ND1-OD2 2.63Å; H528-D532 PolarHBondContact O-N 3.48Å
529	K	39.7	Very low	35.3	Very low	161 Å²	161	118 Å²	118	70%	0.7	58%	0.575	S	S	*	*	H	α-helix	trans	-59.9	-11.6	172.8	-71.4	-168.8	175.2	-172.9	0	113.9	D525 N533	D525-K529 WeakPolarHBondContact O-CB 3.35Å; D525-K529 PolarHBondContact O-N 3.2Å; K529-N533 PolarHBondContact O-ND2 3.37Å
530	Y	34.4	Very low	34.8	Very low	114 Å²	114	122.5 Å²	122.5	45%	0.447	59%	0.591	S	S	.	*	H	α-helix	trans	-92.8	-28.2	168.9	-109.3	-45.3	0	0	0	114.7	I527 H528 N534 R763	I527-Y530 CarbonylContact O-C 3.55Å; I527-Y530 WeakPolarHBondContact O-CA 3.33Å; I527-Y530 WeakPolarHBondContact O-CB 3.27Å; I527-Y530 PolarHBondContact O-N 2.97Å; H528-Y530 PolarHBondContact O-N 3.38Å; Y530-N534 PolarHBondContact O-ND2 3.19Å; Y530-R763 VanDerWaalsContact CZ-CZ 3.44Å; Y530-R763 PolarHBondContact OH-NE 2.76Å; Y530-R763 VanDerWaalsContact OH-NE 3.14Å
531	F	34.5	Very low	34.3	Very low	142 Å²	142	127.4 Å²	127.4	62%	0.623	61%	0.611	S	S	*	*	H	α-helix	trans	-86.6	-40	176.9	-80.9	-67.7	0	0	0	112.9	I527 H528 N533 N534 R535	I527-F531 HydrophobicContact CG2-CD2 3.66Å; I527-F531 HydrophobicContact CG2-CE2 3.67Å; I527-F531 WeakPolarHBondContact O-CD2 3.23Å; I527-F531 PolarHBondContact O-N 2.97Å; H528-F531 PolarHBondContact O-N 2.95Å; F531-N533 VanDerWaalsContact C-N 3.35Å; F531-N533 PolarHBondContact O-N 3.04Å; F531-N534 CarbonylContact O-C 3.56Å; F531-N534 PolarHBondContact O-N 3.47Å; F531-R535 PolarHBondContact O-N 3.47Å
532	D	37.6	Very low	34.2	Very low	84 Å²	84	129.7 Å²	129.7	45%	0.449	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-65.7	-39.5	-178.1	-60	-40.3	0	0	0	111.2	H528 N534 R535	H528-D532 VanDerWaalsContact C-OD2 3.31Å; H528-D532 IonicContact ND1-OD2 2.63Å; H528-D532 PolarHBondContact O-N 3.48Å; D532-N534 PolarHBondContact O-N 3.17Å; D532-R535 PolarHBondContact O-N 3.42Å; D532-R535 VanDerWaalsContact O-N 3.09Å
533	N	36.9	Very low	33.7	Very low	125 Å²	125	132.1 Å²	132.1	67%	0.668	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-64.9	-2	171.4	-81.5	-42.4	0	0	0	114.9	K529 F531	K529-N533 PolarHBondContact O-ND2 3.37Å; F531-N533 VanDerWaalsContact C-N 3.35Å; F531-N533 PolarHBondContact O-N 3.04Å
534	N	36.1	Very low	33.5	Very low	113 Å²	113	131.9 Å²	131.9	60%	0.604	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-123.7	10.1	174.4	-69.9	-84.9	0	0	0	112.7	Y530 F531 D532	Y530-N534 PolarHBondContact O-ND2 3.19Å; F531-N534 CarbonylContact O-C 3.56Å; F531-N534 PolarHBondContact O-N 3.47Å; D532-N534 PolarHBondContact O-N 3.17Å
535	R	32.4	Very low	33.2	Very low	197 Å²	197	136.3 Å²	136.3	74%	0.743	67%	0.667	S	S	*	*			trans	-108.7	-1.3	-173.9	-147.6	172.1	-174.6	-177.5	-0.1	114.6	F531 D532 S537	F531-R535 PolarHBondContact O-N 3.47Å; D532-R535 PolarHBondContact O-N 3.42Å; D532-R535 VanDerWaalsContact O-N 3.09Å; R535-S537 PolarHBondContact O-N 3.31Å; R535-S537 VanDerWaalsContact O-N 3.17Å
536	S	30.4	Very low	32.8	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	3.4	-178.4	48.7	0	0	0	0	115.4
537	S	31.7	Very low	32.3	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-6.4	-169.6	-45.9	0	0	0	0	116.1	R535	R535-S537 PolarHBondContact O-N 3.31Å; R535-S537 VanDerWaalsContact O-N 3.17Å
538	I	31.9	Very low	32	Very low	159 Å²	159	143.8 Å²	143.8	82%	0.815	70%	0.701	S	S	*	*			trans	-135.6	90.9	-175.9	-50.4	-179.6	0	0	0	111
539	K	28.8	Very low	31.8	Very low	203 Å²	203	147.8 Å²	147.8	88%	0.883	71%	0.711	S	S	*	*			trans	-107.7	125.5	160.8	-75.7	-175.9	176	-178.2	0	108.9
540	K	29.6	Very low	31.5	Very low	180 Å²	180	146.2 Å²	146.2	78%	0.783	71%	0.711	S	S	*	*			trans	175.9	120.3	144.6	-104.4	175.6	-179	-176.4	0	113
541	H	28.3	Very low	31.3	Very low	167 Å²	167	146.6 Å²	146.6	77%	0.773	72%	0.72	S	S	*	*			trans	60.8	150.8	162.5	-46.1	-67.5	0	0	0	117.1
542	T	31.3	Very low	31.3	Very low	135 Å²	135	146.7 Å²	146.7	83%	0.828	73%	0.733	S	S	*	*			cis	-128.6	173.6	10.9	33.9	0	0	0	0	112.4
543	N	27.7	Very low	30.9	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	75%	0.749	S	S	*	*			trans	-106.8	-168.4	-175.1	-67.8	-6.8	0	0	0	112.5
544	H	30.6	Very low	30.6	Very low	150 Å²	150	152.2 Å²	152.2	69%	0.694	76%	0.761	S	S	*	*			trans	87.9	133.2	164.6	-63.6	-87.8	0	0	0	117.3
545	E	27.8	Very low	30.3	Very low	151 Å²	151	156 Å²	156	71%	0.706	77%	0.772	S	S	*	*			cis	-167.7	-179.9	-15.2	-147.5	159	-157	0	0	113.5
546	L	29.2	Very low	30.2	Very low	155 Å²	155	153.7 Å²	153.7	81%	0.812	78%	0.78	S	S	*	*			trans	83.7	159.9	158.9	-67.2	159.5	0	0	0	119.1
547	F	28.3	Very low	30	Very low	172 Å²	172	155.6 Å²	155.6	75%	0.754	78%	0.782	S	S	*	*			trans	-159.3	168.5	-134.2	-109.7	-84.2	0	0	0	114
548	H	31.2	Very low	30.1	Very low	148 Å²	148	160.2 Å²	160.2	69%	0.685	79%	0.791	S	S	*	*			trans	75.5	152.8	152.3	-70.6	-33.8	0	0	0	118.8
549	R	28.5	Very low	29.9	Very low	195 Å²	195	161.4 Å²	161.4	74%	0.736	79%	0.794	S	S	*	*			cis	-159.3	158	4.8	-129.9	176.2	155.8	148.5	2.7	116.4
550	D	34.1	Very low	29.8	Very low	128 Å²	128	157.2 Å²	157.2	68%	0.684	79%	0.79	S	S	*	*			trans	73.6	151	146.5	-63.5	-30.6	0	0	0	124.2
551	N	30.9	Very low	29.8	Very low	122 Å²	122	153.9 Å²	153.9	65%	0.652	79%	0.786	S	S	*	*			trans	-134.7	153.4	-172.5	-80.7	-85.7	0	0	0	111.1
552	V	33.1	Very low	29.9	Very low	145 Å²	145	154.6 Å²	154.6	88%	0.879	79%	0.788	S	S	*	*			trans	-139.4	139	158.1	-177.3	0	0	0	0	110.2
553	N	29.9	Very low	30	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	78%	0.778	S	S	*	*			trans	-106.8	151.4	178.5	-83.9	-80.6	0	0	0	112
554	L	31.6	Very low	30.2	Very low	176 Å²	176	154.6 Å²	154.6	92%	0.921	78%	0.78	S	S	*	*			trans	-157	150.3	152.7	-109	154.1	0	0	0	110.9
555	K	28.2	Very low	30.5	Very low	194 Å²	194	152 Å²	152	84%	0.843	77%	0.768	S	S	*	*			trans	-119.9	146.1	-179.8	-66.2	176.7	175.2	175.3	0	110.5
556	T	31.2	Very low	30.9	Very low	147 Å²	147	151 Å²	151	90%	0.902	77%	0.767	S	S	*	*			trans	-168.2	166.7	142.8	7.5	0	0	0	0	110.9
557	N	25.9	Very low	31.2	Very low	151 Å²	151	148.7 Å²	148.7	81%	0.807	76%	0.755	S	S	*	*			trans	-96.2	148.9	-172.1	-56.8	-38.1	0	0	0	112.4
558	H	33.5	Very low	32	Very low	199 Å²	199	144.3 Å²	144.3	92%	0.921	74%	0.739	S	S	*	*			trans	-156.9	166.4	140.8	-97.4	-67.5	0	0	0	110
559	Q	28.4	Very low	32.4	Very low	185 Å²	185	140.4 Å²	140.4	86%	0.864	72%	0.723	S	S	*	*			trans	-115	152.3	-166.3	-64.6	169.4	-69.6	0	0	113.6
560	S	26.9	Very low	33	Very low	115 Å²	115	138.1 Å²	138.1	80%	0.804	72%	0.716	S	S	*	*			trans	71.5	158.2	166.1	-134.6	0	0	0	0	116.1
561	P	28.2	Very low	33.5	Very low	109 Å²	109	137.4 Å²	137.4	71%	0.708	71%	0.711	S	S	*	*			cis	-127	116.9	-3.8	34.7	-16.2	0	0	0	113.9
562	F	32.2	Very low	34.1	Very low	183 Å²	183	136.7 Å²	136.7	80%	0.803	70%	0.702	S	S	*	*			trans	-142.8	1.2	174.8	-117.4	-85.3	0	0	0	116.4
563	A	32.6	Very low	34.7	Very low	77 Å²	77	134.2 Å²	134.2	64%	0.636	68%	0.683	S	S	*	*	H	α-helix	trans	-71.5	-43	-173.6	0	0	0	0	0	114	Q565 L566	A563-Q565 VanDerWaalsContact C-N 3.29Å; A563-Q565 PolarHBondContact O-N 3.01Å; A563-L566 PolarHBondContact O-N 3.37Å
564	Y	32.2	Very low	35.3	Very low	196 Å²	196	132 Å²	132	77%	0.769	67%	0.67	S	S	*	*	H	α-helix	trans	-69.4	-19	-171.4	-78.9	-74.5	0	0	0	115.4
565	Q	35.9	Very low	35.9	Very low	96 Å²	96	130 Å²	130	45%	0.449	66%	0.66	S	S	.	*	H	α-helix	trans	-73	-34.2	-178.5	-162.6	64.6	29.5	0	0	112.2	A563 D567 I568 D569	A563-Q565 VanDerWaalsContact C-N 3.29Å; A563-Q565 PolarHBondContact O-N 3.01Å; Q565-D567 PolarHBondContact O-N 3.37Å; Q565-I568 PolarHBondContact O-N 3.33Å; Q565-D569 PolarHBondContact O-N 3.22Å; Q565-D569 VanDerWaalsContact O-N 3.11Å
566	L	36.5	Very low	37.3	Very low	131 Å²	131	124.9 Å²	124.9	69%	0.686	64%	0.642	S	S	*	*	H	α-helix	trans	-65.5	-38.6	-177.6	-77.8	164.6	0	0	0	112.5	A563 D569 Y570	A563-L566 PolarHBondContact O-N 3.37Å; L566-D569 PolarHBondContact O-N 3.46Å; L566-Y570 VanDerWaalsContact O-CB 3.3Å; L566-Y570 WeakPolarHBondContact O-CB 3.07Å; L566-Y570 PolarHBondContact O-N 3.3Å
567	D	35.8	Very low	38.5	Very low	105 Å²	105	125.9 Å²	125.9	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-69.4	-35.6	177.5	-71.9	-33.1	0	0	0	112	Q565 Y570 L571	Q565-D567 PolarHBondContact O-N 3.37Å; D567-Y570 PolarHBondContact O-N 3.27Å; D567-L571 WeakPolarHBondContact O-CB 3.36Å; D567-L571 VanDerWaalsContact O-CG 3.26Å; D567-L571 WeakPolarHBondContact O-CG 3.26Å; D567-L571 PolarHBondContact O-N 2.98Å
568	I	44.2	Very low	40.2	Very low	81 Å²	81	124.1 Å²	124.1	42%	0.415	63%	0.627	S	S	.	*	H	α-helix	trans	-64.7	-45.1	175.2	-68.1	174.6	0	0	0	110.7	Q565 L571 K572	Q565-I568 PolarHBondContact O-N 3.33Å; I568-L571 PolarHBondContact O-N 3.35Å; I568-K572 WeakPolarHBondContact O-CG 3.14Å; I568-K572 PolarHBondContact O-N 3.48Å
569	D	40.9	Very low	41.5	Very low	66 Å²	66	119.8 Å²	119.8	35%	0.353	61%	0.607	S	S	.	*	H	α-helix	trans	-74.6	-27.6	179.6	-67.3	-25.1	0	0	0	112.3	Q565 L566 K572 L573	Q565-D569 PolarHBondContact O-N 3.22Å; Q565-D569 VanDerWaalsContact O-N 3.11Å; L566-D569 PolarHBondContact O-N 3.46Å; D569-K572 PolarHBondContact O-N 3.39Å; D569-K572 IonicContact OD1-NZ 2.77Å; D569-K572 PolarHBondContact OD1-NZ 2.99Å; D569-L573 WeakPolarHBondContact O-CB 3.38Å; D569-L573 WeakPolarHBondContact O-CG 3.45Å; D569-L573 PolarHBondContact O-N 2.72Å
570	Y	40.8	Very low	43.4	Very low	147 Å²	147	113.6 Å²	113.6	58%	0.576	58%	0.581	S	S	*	*	H	α-helix	trans	-66.3	-39.9	168.3	-162.4	-91.3	0	0	0	112.2	L566 D567 L573 M574	L566-Y570 VanDerWaalsContact O-CB 3.3Å; L566-Y570 WeakPolarHBondContact O-CB 3.07Å; L566-Y570 PolarHBondContact O-N 3.3Å; D567-Y570 PolarHBondContact O-N 3.27Å; Y570-L573 PolarHBondContact O-N 3.29Å; Y570-M574 HydrophobicContact CD1-CE 4.38Å; Y570-M574 HydrophobicContact CD1-CG 4.32Å; Y570-M574 HydrophobicContact CE1-CE 3.52Å; Y570-M574 HydrophobicContact CE1-CG 4.23Å; Y570-M574 HydrophobicContact CE2-CE 4.43Å; Y570-M574 WeakPolarHBondContact O-CG 3.23Å; Y570-M574 PolarHBondContact O-N 2.91Å; Y570-M574 VanDerWaalsContact O-N 3.13Å; Y570-M574 WeakPolarHBondContact OH-CE 3.39Å
571	L	44.1	Very low	45.5	Very low	113 Å²	113	111.7 Å²	111.7	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-68.2	-36.3	174.7	-75.3	166.8	0	0	0	112.4	D567 I568 M574 N575	D567-L571 WeakPolarHBondContact O-CB 3.36Å; D567-L571 VanDerWaalsContact O-CG 3.26Å; D567-L571 WeakPolarHBondContact O-CG 3.26Å; D567-L571 PolarHBondContact O-N 2.98Å; I568-L571 PolarHBondContact O-N 3.35Å; L571-M574 PolarHBondContact O-N 3.43Å; L571-N575 PolarHBondContact O-N 3.45Å; L571-N575 VanDerWaalsContact O-N 3.11Å
572	K	44.7	Very low	47.7	Very low	107 Å²	107	106.9 Å²	106.9	47%	0.465	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-49.6	170.6	-70.7	172.5	-166.1	156.7	0	111.6	I568 D569 M574 N575 D576	I568-K572 WeakPolarHBondContact O-CG 3.14Å; I568-K572 PolarHBondContact O-N 3.48Å; D569-K572 PolarHBondContact O-N 3.39Å; D569-K572 IonicContact OD1-NZ 2.77Å; D569-K572 PolarHBondContact OD1-NZ 2.99Å; K572-M574 PolarHBondContact O-N 2.94Å; K572-M574 VanDerWaalsContact O-N 3.1Å; K572-N575 WeakPolarHBondContact O-CA 3.29Å; K572-N575 PolarHBondContact O-N 2.66Å; K572-D576 PolarHBondContact O-N 2.93Å
573	L	46	Very low	49.6	Very low	92 Å²	92	104.7 Å²	104.7	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-20.7	177.1	-83.6	164.2	0	0	0	114.2	D569 Y570	D569-L573 WeakPolarHBondContact O-CB 3.38Å; D569-L573 WeakPolarHBondContact O-CG 3.45Å; D569-L573 PolarHBondContact O-N 2.72Å; Y570-L573 PolarHBondContact O-N 3.29Å
574	M	42.2	Very low	51.8	Low	103 Å²	103	107.8 Å²	107.8	51%	0.507	52%	0.519	S	S	.	.	H	α-helix	trans	-89.5	-21.4	172.1	-69.3	-68.1	175.1	0	0	113.7	Y570 L571 K572	Y570-M574 HydrophobicContact CD1-CE 4.38Å; Y570-M574 HydrophobicContact CD1-CG 4.32Å; Y570-M574 HydrophobicContact CE1-CE 3.52Å; Y570-M574 HydrophobicContact CE1-CG 4.23Å; Y570-M574 HydrophobicContact CE2-CE 4.43Å; Y570-M574 WeakPolarHBondContact O-CG 3.23Å; Y570-M574 PolarHBondContact O-N 2.91Å; Y570-M574 VanDerWaalsContact O-N 3.13Å; Y570-M574 WeakPolarHBondContact OH-CE 3.39Å; L571-M574 PolarHBondContact O-N 3.43Å; K572-M574 PolarHBondContact O-N 2.94Å; K572-M574 VanDerWaalsContact O-N 3.1Å
575	N	43.7	Very low	54.2	Low	133 Å²	133	98.9 Å²	98.9	71%	0.711	49%	0.485	S	S	*	.	H	α-helix	trans	-88.6	-19.8	175.8	-85.4	-17.6	0	0	0	113.6	L571 K572 Q577	L571-N575 PolarHBondContact O-N 3.45Å; L571-N575 VanDerWaalsContact O-N 3.11Å; K572-N575 WeakPolarHBondContact O-CA 3.29Å; K572-N575 PolarHBondContact O-N 2.66Å; N575-Q577 PolarHBondContact O-N 3.04Å
576	D	56.5	Low	56.1	Low	87 Å²	87	96.2 Å²	96.2	47%	0.465	48%	0.477	S	S	.	.			trans	-61.4	101.8	174.1	-77.5	-27.1	0	0	0	111.3	K572 D578 H579 V580	K572-D576 PolarHBondContact O-N 2.93Å; D576-D578 PolarHBondContact O-N 2.97Å; D576-H579 HydrophobicContact CB-CB 4.02Å; D576-H579 PolarHBondContact O-N 3.19Å; D576-V580 PolarHBondContact O-N 3.4Å; D576-V580 VanDerWaalsContact O-N 3.15Å
577	Q	58	Low	58.1	Low	167 Å²	167	95.5 Å²	95.5	78%	0.78	47%	0.473	S	S	*	.	H	α-helix	trans	-57.4	-35.8	-178.4	-63.3	-169.1	6	0	0	111.9	N575 V580 E581	N575-Q577 PolarHBondContact O-N 3.04Å; Q577-V580 PolarHBondContact O-N 3.2Å; Q577-E581 PolarHBondContact O-N 3.41Å
578	D	60.1	Low	60.3	Low	114 Å²	114	95.1 Å²	95.1	61%	0.61	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-36.9	176.3	-69.9	-38	0	0	0	112.9	D576 E581 G582	D576-D578 PolarHBondContact O-N 2.97Å; D578-E581 PolarHBondContact O-N 3.38Å; D578-G582 PolarHBondContact O-N 2.95Å
579	H	61.8	Low	62.2	Low	109 Å²	109	91.2 Å²	91.2	51%	0.505	45%	0.446	S	S	.	.	H	α-helix	trans	-70.7	-36	176.2	-162.4	-35.6	0	0	0	110.8	D576 K583	D576-H579 HydrophobicContact CB-CB 4.02Å; D576-H579 PolarHBondContact O-N 3.19Å; H579-K583 WeakPolarHBondContact O-CB 3.45Å; H579-K583 PolarHBondContact O-N 2.85Å; H579-K583 VanDerWaalsContact O-N 3.12Å
580	V	67.2	Low	64	Low	55 Å²	55	91.4 Å²	91.4	33%	0.333	45%	0.447	S	S	.	.	H	α-helix	trans	-68.4	-42.4	173.5	177.6	0	0	0	0	111.3	D576 Q577 K583 K584	D576-V580 PolarHBondContact O-N 3.4Å; D576-V580 VanDerWaalsContact O-N 3.15Å; Q577-V580 PolarHBondContact O-N 3.2Å; V580-K583 PolarHBondContact O-N 3.5Å; V580-K584 HydrophobicContact CG1-CD 4.29Å; V580-K584 WeakPolarHBondContact O-CG 3.42Å; V580-K584 PolarHBondContact O-N 2.99Å
581	E	71	Confident	65.7	Low	75 Å²	75	87.4 Å²	87.4	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-67.3	-46.2	175.3	177.2	154.1	-132.3	0	0	111.7	Q577 D578 K583 K584 L585 K677 L681	Q577-E581 PolarHBondContact O-N 3.41Å; D578-E581 PolarHBondContact O-N 3.38Å; E581-K583 PolarHBondContact O-N 3.31Å; E581-K584 CarbonylContact O-C 3.54Å; E581-K584 WeakPolarHBondContact O-CB 3.41Å; E581-K584 PolarHBondContact O-N 2.81Å; E581-L585 WeakPolarHBondContact O-CB 3.29Å; E581-L585 PolarHBondContact O-N 3.09Å; E581-K677 IonicContact OE1-NZ 3.88Å; E581-K677 PolarHBondContact OE1-NZ 3.36Å; E581-K677 WeakPolarHBondContact OE2-CE 3.39Å; E581-K677 IonicContact OE2-NZ 3.22Å; E581-K677 PolarHBondContact OE2-NZ 3.27Å; E581-L681 HydrophobicContact CG-CD1 4.24Å
582	G	74.3	Confident	67.6	Low	8 Å²	8	82.7 Å²	82.7	8%	0.082	41%	0.409	C	S	.	.	H	α-helix	trans	-57.3	-34.5	176.4	0	0	0	0	0	112.9	D578 S586	D578-G582 PolarHBondContact O-N 2.95Å; G582-S586 WeakPolarHBondContact O-CB 3.28Å; G582-S586 PolarHBondContact O-N 3.11Å
583	K	74.2	Confident	69.4	Low	137 Å²	137	79.8 Å²	79.8	60%	0.596	40%	0.397	S	S	*	.	H	α-helix	trans	-71.7	-43.4	173.4	-167.8	172.6	-176.3	176	0	112.4	H579 V580 E581 L585 L587	H579-K583 WeakPolarHBondContact O-CB 3.45Å; H579-K583 PolarHBondContact O-N 2.85Å; H579-K583 VanDerWaalsContact O-N 3.12Å; V580-K583 PolarHBondContact O-N 3.5Å; E581-K583 PolarHBondContact O-N 3.31Å; K583-L585 VanDerWaalsContact C-N 3.32Å; K583-L585 PolarHBondContact O-N 2.98Å; K583-L587 VanDerWaalsContact O-CG 3.32Å; K583-L587 WeakPolarHBondContact O-CG 3.39Å; K583-L587 PolarHBondContact O-N 2.98Å; K583-L587 VanDerWaalsContact O-N 3.09Å
584	K	78.2	Confident	70.8	Confident	141 Å²	141	79.3 Å²	79.3	61%	0.613	39%	0.392	S	S	*	.	H	α-helix	trans	-59.9	-41.5	172.6	-71.9	165.8	-179.9	168.8	0	111.7	V580 E581 L587 K588	V580-K584 HydrophobicContact CG1-CD 4.29Å; V580-K584 WeakPolarHBondContact O-CG 3.42Å; V580-K584 PolarHBondContact O-N 2.99Å; E581-K584 CarbonylContact O-C 3.54Å; E581-K584 WeakPolarHBondContact O-CB 3.41Å; E581-K584 PolarHBondContact O-N 2.81Å; K584-L587 PolarHBondContact O-N 2.66Å; K584-K588 PolarHBondContact O-N 3.24Å
585	L	81.4	Confident	72.5	Confident	10 Å²	10	76.5 Å²	76.5	5%	0.052	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-47.3	-179.1	-167.7	71.6	0	0	0	111.6	E581 K583 L587 K588 I589 L674 K677 E678 L681	E581-L585 WeakPolarHBondContact O-CB 3.29Å; E581-L585 PolarHBondContact O-N 3.09Å; K583-L585 VanDerWaalsContact C-N 3.32Å; K583-L585 PolarHBondContact O-N 2.98Å; L585-L587 VanDerWaalsContact C-N 3.33Å; L585-L587 PolarHBondContact O-N 2.93Å; L585-K588 PolarHBondContact O-N 3.46Å; L585-K588 VanDerWaalsContact O-N 3.13Å; L585-I589 HydrophobicContact CG-CD1 4.2Å; L585-I589 WeakPolarHBondContact O-CG1 3.49Å; L585-I589 PolarHBondContact O-N 3.44Å; L585-L674 HydrophobicContact CD1-CB 4.26Å; L585-L674 HydrophobicContact CD1-CD2 3.65Å; L585-L674 HydrophobicContact CD1-CG 4.5Å; L585-K677 HydrophobicContact CD1-CB 4.41Å; L585-K677 HydrophobicContact CD1-CD 4.25Å; L585-K677 HydrophobicContact CD1-CG 4.47Å; L585-K677 HydrophobicContact CD2-CB 4.09Å; L585-K677 HydrophobicContact CD2-CG 4.03Å; L585-E678 HydrophobicContact CD2-CB 3.68Å; L585-E678 HydrophobicContact CD2-CG 4.18Å; L585-L681 HydrophobicContact CD2-CD1 4.08Å
586	S	76.8	Confident	74.2	Confident	39 Å²	39	70.2 Å²	70.2	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-43.2	174.2	174.7	0	0	0	0	112	G582 K588 I589 D590	G582-S586 WeakPolarHBondContact O-CB 3.28Å; G582-S586 PolarHBondContact O-N 3.11Å; S586-K588 PolarHBondContact O-N 3.32Å; S586-I589 PolarHBondContact O-N 2.79Å; S586-D590 PolarHBondContact O-N 3Å
587	L	77.2	Confident	75.1	Confident	117 Å²	117	70.5 Å²	70.5	61%	0.613	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-39.4	174.6	-72.1	168.6	0	0	0	112.8	K583 K584 L585 H591	K583-L587 VanDerWaalsContact O-CG 3.32Å; K583-L587 WeakPolarHBondContact O-CG 3.39Å; K583-L587 PolarHBondContact O-N 2.98Å; K583-L587 VanDerWaalsContact O-N 3.09Å; K584-L587 PolarHBondContact O-N 2.66Å; L585-L587 VanDerWaalsContact C-N 3.33Å; L585-L587 PolarHBondContact O-N 2.93Å; L587-H591 WeakPolarHBondContact O-CB 3.46Å; L587-H591 PolarHBondContact O-N 3.07Å
588	K	84.1	Confident	75.8	Confident	96 Å²	96	65.6 Å²	65.6	42%	0.417	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-41.3	175.9	-167.1	-178.3	179.3	-166	0	111.8	K584 L585 S586 H591 L592 E670 L674	K584-K588 PolarHBondContact O-N 3.24Å; L585-K588 PolarHBondContact O-N 3.46Å; L585-K588 VanDerWaalsContact O-N 3.13Å; S586-K588 PolarHBondContact O-N 3.32Å; K588-H591 PolarHBondContact O-N 3.44Å; K588-L592 WeakPolarHBondContact O-CG 3.13Å; K588-L592 PolarHBondContact O-N 2.99Å; K588-E670 WeakPolarHBondContact CE-OE1 3.33Å; K588-E670 IonicContact NZ-OE1 2.7Å; K588-E670 PolarHBondContact NZ-OE1 3.28Å; K588-L674 HydrophobicContact CB-CD1 4.29Å; K588-L674 HydrophobicContact CD-CD1 3.56Å; K588-L674 HydrophobicContact CD-CD2 3.99Å; K588-L674 HydrophobicContact CD-CG 4.44Å; K588-L674 HydrophobicContact CG-CD1 3.73Å
589	I	83.8	Confident	76.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-47.3	175.2	-72.7	167.8	0	0	0	110.6	L585 S586 H591 L592 K593 L671 L674 I675 E678	L585-I589 HydrophobicContact CG-CD1 4.2Å; L585-I589 WeakPolarHBondContact O-CG1 3.49Å; L585-I589 PolarHBondContact O-N 3.44Å; S586-I589 PolarHBondContact O-N 2.79Å; I589-H591 VanDerWaalsContact C-N 3.33Å; I589-H591 PolarHBondContact O-N 2.89Å; I589-L592 PolarHBondContact O-N 3.28Å; I589-K593 HydrophobicContact CG2-CD 4.47Å; I589-K593 VanDerWaalsContact CG2-CE 3.5Å; I589-K593 WeakPolarHBondContact O-CG 3.29Å; I589-K593 PolarHBondContact O-N 2.94Å; I589-L671 HydrophobicContact CG2-CD2 4.17Å; I589-L674 HydrophobicContact CD1-CB 4.08Å; I589-L674 HydrophobicContact CG1-CB 3.7Å; I589-L674 HydrophobicContact CG1-CD1 4.31Å; I589-I675 HydrophobicContact CD1-CG1 4.08Å; I589-I675 HydrophobicContact CG1-CG1 4.47Å; I589-I675 HydrophobicContact CG2-CG1 4.47Å; I589-E678 HydrophobicContact CD1-CB 4.08Å; I589-E678 WeakPolarHBondContact CD1-OE2 3.23Å
590	D	77.6	Confident	77.3	Confident	69 Å²	69	57.7 Å²	57.7	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-27.2	178.5	-82.3	-0.5	0	0	0	113.5	S586 K593 Q594	S586-D590 PolarHBondContact O-N 3Å; D590-K593 WeakPolarHBondContact OD1-CD 3.46Å; D590-K593 WeakPolarHBondContact OD1-CE 3.47Å; D590-K593 IonicContact OD1-NZ 3.57Å; D590-K593 PolarHBondContact OD1-NZ 3.23Å; D590-Q594 VanDerWaalsContact O-CG 3.31Å; D590-Q594 WeakPolarHBondContact O-CG 3.26Å; D590-Q594 PolarHBondContact O-N 3.14Å; D590-Q594 PolarHBondContact O-NE2 2.82Å; D590-Q594 VanDerWaalsContact O-NE2 3.09Å
591	H	77.5	Confident	77.6	Confident	64 Å²	64	56.3 Å²	56.3	30%	0.296	26%	0.262	S	S	.	.	H	α-helix	trans	-66.5	-44.6	169.5	-174.1	73.3	0	0	0	111.5	L587 K588 I589 Q594 Q595	L587-H591 WeakPolarHBondContact O-CB 3.46Å; L587-H591 PolarHBondContact O-N 3.07Å; K588-H591 PolarHBondContact O-N 3.44Å; I589-H591 VanDerWaalsContact C-N 3.33Å; I589-H591 PolarHBondContact O-N 2.89Å; H591-Q594 WeakPolarHBondContact O-CB 3.19Å; H591-Q594 PolarHBondContact O-N 2.84Å; H591-Q594 VanDerWaalsContact O-N 3.16Å; H591-Q595 PolarHBondContact CD2-NE2 2.87Å; H591-Q595 VanDerWaalsContact CD2-NE2 3.33Å; H591-Q595 PolarHBondContact NE2-NE2 3.07Å; H591-Q595 PolarHBondContact O-N 3.23Å
592	L	84	Confident	77.7	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-37.5	177.4	-71.4	169.4	0	0	0	112.8	K588 I589 Q594 Q595 L596 I667 E670 L671 L674	K588-L592 WeakPolarHBondContact O-CG 3.13Å; K588-L592 PolarHBondContact O-N 2.99Å; I589-L592 PolarHBondContact O-N 3.28Å; L592-Q594 PolarHBondContact O-N 2.93Å; L592-Q595 PolarHBondContact O-N 3.08Å; L592-Q595 VanDerWaalsContact O-N 3.17Å; L592-L596 WeakPolarHBondContact O-CB 3.23Å; L592-L596 PolarHBondContact O-N 2.94Å; L592-I667 HydrophobicContact CB-CG2 4.05Å; L592-I667 HydrophobicContact CD2-CG2 4.19Å; L592-E670 HydrophobicContact CD1-CB 4.12Å; L592-E670 HydrophobicContact CD1-CG 3.55Å; L592-L671 HydrophobicContact CB-CD1 4.45Å; L592-L671 HydrophobicContact CB-CD2 3.66Å; L592-L671 HydrophobicContact CB-CG 3.86Å; L592-L671 HydrophobicContact CD1-CD2 4.3Å; L592-L671 HydrophobicContact CD1-CG 4.34Å; L592-L674 HydrophobicContact CD1-CD1 3.41Å; L592-L674 VanDerWaalsContact CD1-CD1 3.41Å
593	K	81.1	Confident	77.8	Confident	46 Å²	46	59 Å²	59	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-39.5	169.4	-69.1	173.2	-165.5	156.4	0	111.7	I589 D590 Y597 L671 Y690 V694	I589-K593 HydrophobicContact CG2-CD 4.47Å; I589-K593 VanDerWaalsContact CG2-CE 3.5Å; I589-K593 WeakPolarHBondContact O-CG 3.29Å; I589-K593 PolarHBondContact O-N 2.94Å; D590-K593 WeakPolarHBondContact OD1-CD 3.46Å; D590-K593 WeakPolarHBondContact OD1-CE 3.47Å; D590-K593 IonicContact OD1-NZ 3.57Å; D590-K593 PolarHBondContact OD1-NZ 3.23Å; K593-Y597 WeakPolarHBondContact O-CB 3.32Å; K593-Y597 PolarHBondContact O-N 2.83Å; K593-Y597 VanDerWaalsContact O-N 3.08Å; K593-L671 HydrophobicContact CG-CD2 4.35Å; K593-Y690 PolarHBondContact NZ-OH 3.22Å; K593-V694 HydrophobicContact CD-CG2 4.15Å; K593-V694 HydrophobicContact CG-CG1 4.19Å; K593-V694 HydrophobicContact CG-CG2 4.14Å
594	Q	75.1	Confident	77.8	Confident	81 Å²	81	54.2 Å²	54.2	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-69.5	-39.4	175.8	-72.4	171.1	65.6	0	0	112.2	D590 H591 L592 Y597 R598	D590-Q594 VanDerWaalsContact O-CG 3.31Å; D590-Q594 WeakPolarHBondContact O-CG 3.26Å; D590-Q594 PolarHBondContact O-N 3.14Å; D590-Q594 PolarHBondContact O-NE2 2.82Å; D590-Q594 VanDerWaalsContact O-NE2 3.09Å; H591-Q594 WeakPolarHBondContact O-CB 3.19Å; H591-Q594 PolarHBondContact O-N 2.84Å; H591-Q594 VanDerWaalsContact O-N 3.16Å; L592-Q594 PolarHBondContact O-N 2.93Å; Q594-Y597 PolarHBondContact O-N 2.81Å; Q594-R598 WeakPolarHBondContact O-CG 3.31Å; Q594-R598 PolarHBondContact O-N 3Å
595	Q	79.4	Confident	77.8	Confident	44 Å²	44	48.5 Å²	48.5	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-46.5	173.1	-67.2	-172.2	3.8	0	0	111.9	H591 L592 Y597 R598 I599 I667	H591-Q595 PolarHBondContact CD2-NE2 2.87Å; H591-Q595 VanDerWaalsContact CD2-NE2 3.33Å; H591-Q595 PolarHBondContact NE2-NE2 3.07Å; H591-Q595 PolarHBondContact O-N 3.23Å; L592-Q595 PolarHBondContact O-N 3.08Å; L592-Q595 VanDerWaalsContact O-N 3.17Å; Q595-Y597 VanDerWaalsContact C-N 3.3Å; Q595-Y597 PolarHBondContact O-N 2.92Å; Q595-R598 WeakPolarHBondContact O-CB 3.48Å; Q595-R598 PolarHBondContact O-N 3.42Å; Q595-I599 PolarHBondContact O-N 3.31Å; Q595-I667 HydrophobicContact CB-CD1 3.61Å
596	L	79.9	Confident	77.8	Confident	1 Å²	1	50 Å²	50	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-44.8	175.7	178.6	60.2	0	0	0	111.7	L592 I599 R600 E664 I667 L671 V694 C698	L592-L596 WeakPolarHBondContact O-CB 3.23Å; L592-L596 PolarHBondContact O-N 2.94Å; L596-I599 PolarHBondContact O-N 3.14Å; L596-R600 HydrophobicContact CD1-CG 4.5Å; L596-R600 PolarHBondContact O-N 2.83Å; L596-E664 HydrophobicContact CD1-CG 3.68Å; L596-I667 HydrophobicContact CB-CG2 3.94Å; L596-L671 HydrophobicContact CD2-CD1 4.18Å; L596-V694 HydrophobicContact CD2-CG1 3.79Å; L596-C698 HydrophobicContact CD2-CB 4.2Å; L596-C698 HydrophobicContact CG-CB 4.19Å
597	Y	75.1	Confident	77.9	Confident	93 Å²	93	54.5 Å²	54.5	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-41	175.9	-175.5	-108	0	0	0	112.5	K593 Q594 Q595 Q601	K593-Y597 WeakPolarHBondContact O-CB 3.32Å; K593-Y597 PolarHBondContact O-N 2.83Å; K593-Y597 VanDerWaalsContact O-N 3.08Å; Q594-Y597 PolarHBondContact O-N 2.81Å; Q595-Y597 VanDerWaalsContact C-N 3.3Å; Q595-Y597 PolarHBondContact O-N 2.92Å; Y597-Q601 VanDerWaalsContact CE1-CD 3.47Å; Y597-Q601 HydrophobicContact CE1-CG 4.22Å; Y597-Q601 VanDerWaalsContact CZ-NE2 3.3Å; Y597-Q601 WeakPolarHBondContact O-CB 3.33Å; Y597-Q601 WeakPolarHBondContact O-CG 3.33Å; Y597-Q601 PolarHBondContact O-N 3.32Å; Y597-Q601 PolarHBondContact OH-NE2 2.94Å; Y597-Q601 VanDerWaalsContact OH-NE2 3.1Å
598	R	71.4	Confident	78.2	Confident	65 Å²	65	50.2 Å²	50.2	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-46.6	174.2	-69.4	174.4	168.1	162.4	-4.6	111.8	K424 T425 F427 Q594 Q595 Q601 Q602	K424-R598 PolarHBondContact O-NH2 3.03Å; T425-R598 PolarHBondContact O-NH2 3.32Å; F427-R598 HydrophobicContact CB-CB 4.45Å; F427-R598 HydrophobicContact CB-CG 4.07Å; Q594-R598 WeakPolarHBondContact O-CG 3.31Å; Q594-R598 PolarHBondContact O-N 3Å; Q595-R598 WeakPolarHBondContact O-CB 3.48Å; Q595-R598 PolarHBondContact O-N 3.42Å; R598-Q601 WeakPolarHBondContact O-CB 3.24Å; R598-Q601 PolarHBondContact O-N 3.24Å; R598-Q602 PolarHBondContact O-N 2.75Å
599	I	77.5	Confident	78.3	Confident	31 Å²	31	46.4 Å²	46.4	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-49	178.1	-68.6	-170.7	0	0	0	110.9	Q595 L596 Q601 Q602 L603 I662 E664 I667	Q595-I599 PolarHBondContact O-N 3.31Å; L596-I599 PolarHBondContact O-N 3.14Å; I599-Q601 VanDerWaalsContact C-N 3.31Å; I599-Q601 PolarHBondContact O-N 3.09Å; I599-Q602 CarbonylContact O-C 3.53Å; I599-Q602 WeakPolarHBondContact O-CA 3.49Å; I599-Q602 WeakPolarHBondContact O-CB 3.46Å; I599-Q602 PolarHBondContact O-N 3.44Å; I599-L603 HydrophobicContact CG2-CD1 3.86Å; I599-L603 HydrophobicContact CG2-CG 4.16Å; I599-L603 WeakPolarHBondContact O-CG 3.46Å; I599-L603 PolarHBondContact O-N 2.97Å; I599-I662 HydrophobicContact CD1-CG2 4.4Å; I599-I662 WeakPolarHBondContact CD1-O 3.41Å; I599-E664 HydrophobicContact CG2-CB 4.31Å; I599-I667 HydrophobicContact CD1-CD1 3.49Å; I599-I667 VanDerWaalsContact CD1-CD1 3.49Å; I599-I667 HydrophobicContact CD1-CG1 4.48Å; I599-I667 HydrophobicContact CG1-CD1 4.26Å
600	R	76.3	Confident	78.3	Confident	25 Å²	25	52.5 Å²	52.5	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-35.8	178.5	-73.9	-175.7	175.4	-177.1	3	113	L596 Q602 S604 E664 W695 C698	L596-R600 HydrophobicContact CD1-CG 4.5Å; L596-R600 PolarHBondContact O-N 2.83Å; R600-Q602 VanDerWaalsContact C-N 3.32Å; R600-Q602 PolarHBondContact O-N 3.05Å; R600-S604 WeakPolarHBondContact O-CB 3.17Å; R600-S604 PolarHBondContact O-N 3.02Å; R600-E664 VanDerWaalsContact CG-OE2 3.27Å; R600-E664 WeakPolarHBondContact CG-OE2 3.33Å; R600-E664 IonicContact CZ-OE1 3.91Å; R600-E664 VanDerWaalsContact NE-CD 3.34Å; R600-E664 IonicContact NE-OE1 3.79Å; R600-E664 PolarHBondContact NE-OE1 2.79Å; R600-E664 IonicContact NE-OE2 2.62Å; R600-E664 PolarHBondContact NE-OE2 3.12Å; R600-E664 IonicContact NH2-OE1 2.68Å; R600-E664 PolarHBondContact NH2-OE1 3.05Å; R600-W695 PolarHBondContact NH1-O 3.44Å; R600-W695 VanDerWaalsContact NH2-CD2 3.26Å; R600-C698 WeakPolarHBondContact CD-O 3.47Å; R600-C698 VanDerWaalsContact NH1-C 3.32Å; R600-C698 PolarHBondContact NH1-O 3.41Å
601	Q	72.6	Confident	78.5	Confident	26 Å²	26	52.8 Å²	52.8	12%	0.121	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-39.7	171	-78.6	-173.7	-32.9	0	0	112.4	Y597 R598 I599 M605 R702	Y597-Q601 VanDerWaalsContact CE1-CD 3.47Å; Y597-Q601 HydrophobicContact CE1-CG 4.22Å; Y597-Q601 VanDerWaalsContact CZ-NE2 3.3Å; Y597-Q601 WeakPolarHBondContact O-CB 3.33Å; Y597-Q601 WeakPolarHBondContact O-CG 3.33Å; Y597-Q601 PolarHBondContact O-N 3.32Å; Y597-Q601 PolarHBondContact OH-NE2 2.94Å; Y597-Q601 VanDerWaalsContact OH-NE2 3.1Å; R598-Q601 WeakPolarHBondContact O-CB 3.24Å; R598-Q601 PolarHBondContact O-N 3.24Å; I599-Q601 VanDerWaalsContact C-N 3.31Å; I599-Q601 PolarHBondContact O-N 3.09Å; Q601-M605 PolarHBondContact O-N 3.21Å; Q601-R702 PolarHBondContact O-NH2 3.12Å
602	Q	74	Confident	78.8	Confident	55 Å²	55	50.3 Å²	50.3	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-69.3	-47.3	176.2	178.2	176	-15.7	0	0	112.2	R598 I599 R600 S604 M605 E606	R598-Q602 PolarHBondContact O-N 2.75Å; I599-Q602 CarbonylContact O-C 3.53Å; I599-Q602 WeakPolarHBondContact O-CA 3.49Å; I599-Q602 WeakPolarHBondContact O-CB 3.46Å; I599-Q602 PolarHBondContact O-N 3.44Å; R600-Q602 VanDerWaalsContact C-N 3.32Å; R600-Q602 PolarHBondContact O-N 3.05Å; Q602-S604 VanDerWaalsContact C-N 3.3Å; Q602-S604 PolarHBondContact O-N 3.07Å; Q602-M605 CarbonylContact O-C 3.59Å; Q602-M605 WeakPolarHBondContact O-CA 3.37Å; Q602-M605 WeakPolarHBondContact O-CB 3.46Å; Q602-M605 PolarHBondContact O-N 3.27Å; Q602-E606 HydrophobicContact CG-CG 4.48Å; Q602-E606 WeakPolarHBondContact CG-OE1 3.44Å; Q602-E606 PolarHBondContact NE2-OE1 2.84Å; Q602-E606 WeakPolarHBondContact O-CG 3.39Å; Q602-E606 PolarHBondContact O-N 3.06Å
603	L	76.9	Confident	78.9	Confident	85 Å²	85	50.8 Å²	50.8	45%	0.445	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-42.2	177.2	-69	173.5	0	0	0	111.7	I599 M605 E606 F607	I599-L603 HydrophobicContact CG2-CD1 3.86Å; I599-L603 HydrophobicContact CG2-CG 4.16Å; I599-L603 WeakPolarHBondContact O-CG 3.46Å; I599-L603 PolarHBondContact O-N 2.97Å; L603-M605 VanDerWaalsContact C-N 3.31Å; L603-M605 PolarHBondContact O-N 3.06Å; L603-E606 PolarHBondContact O-N 2.87Å; L603-F607 WeakPolarHBondContact O-CB 3.22Å; L603-F607 PolarHBondContact O-N 2.92Å
604	S	73.2	Confident	79.3	Confident	37 Å²	37	50.5 Å²	50.5	26%	0.259	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-30.6	173.6	173.9	0	0	0	0	112.8	R600 Q602 Y608 D700 R702	R600-S604 WeakPolarHBondContact O-CB 3.17Å; R600-S604 PolarHBondContact O-N 3.02Å; Q602-S604 VanDerWaalsContact C-N 3.3Å; Q602-S604 PolarHBondContact O-N 3.07Å; S604-Y608 PolarHBondContact O-N 2.99Å; S604-D700 WeakPolarHBondContact CB-OD2 3.43Å; S604-D700 PolarHBondContact OG-OD2 2.66Å; S604-R702 VanDerWaalsContact OG-CZ 3.23Å; S604-R702 PolarHBondContact OG-NH2 2.91Å; S604-R702 VanDerWaalsContact OG-NH2 3.14Å
605	M	78.6	Confident	80.2	Confident	21 Å²	21	50.2 Å²	50.2	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-47.7	168.6	-157.2	75.7	71.8	0	0	111.7	Y429 Q601 Q602 L603 F607 Y608 E609	Y429-M605 HydrophobicContact CD1-CE 3.67Å; Y429-M605 HydrophobicContact CD1-SD 3.72Å; Y429-M605 HydrophobicContact CD2-CE 3.7Å; Y429-M605 HydrophobicContact CE1-CE 3.64Å; Y429-M605 HydrophobicContact CE1-SD 3.33Å; Y429-M605 WeakPolarHBondContact CE1-SD 3.19Å; Y429-M605 HydrophobicContact CE2-CE 3.6Å; Y429-M605 HydrophobicContact CE2-SD 4.29Å; Y429-M605 HydrophobicContact CG-CE 3.71Å; Y429-M605 HydrophobicContact CG-SD 4.38Å; Q601-M605 PolarHBondContact O-N 3.21Å; Q602-M605 CarbonylContact O-C 3.59Å; Q602-M605 WeakPolarHBondContact O-CA 3.37Å; Q602-M605 WeakPolarHBondContact O-CB 3.46Å; Q602-M605 PolarHBondContact O-N 3.27Å; L603-M605 VanDerWaalsContact C-N 3.31Å; L603-M605 PolarHBondContact O-N 3.06Å; M605-F607 VanDerWaalsContact C-N 3.32Å; M605-F607 PolarHBondContact O-N 2.91Å; M605-Y608 CarbonylContact O-C 3.55Å; M605-Y608 WeakPolarHBondContact O-CA 3.45Å; M605-Y608 WeakPolarHBondContact O-CB 3.39Å; M605-Y608 PolarHBondContact O-N 3.35Å; M605-Y608 VanDerWaalsContact O-N 3.08Å; M605-E609 HydrophobicContact CG-CG 4.41Å; M605-E609 WeakPolarHBondContact CG-OE1 3.46Å; M605-E609 WeakPolarHBondContact O-CB 3.18Å; M605-E609 VanDerWaalsContact O-CG 3.29Å; M605-E609 WeakPolarHBondContact O-CG 3.31Å; M605-E609 PolarHBondContact O-N 3.4Å
606	E	80.8	Confident	81	Confident	40 Å²	40	48.2 Å²	48.2	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-33.8	-175	-73.9	169.5	-169.3	0	0	111.7	K234 Q602 L603 E609 H610	K234-E606 WeakPolarHBondContact CE-OE1 3.37Å; K234-E606 IonicContact NZ-OE1 3.17Å; K234-E606 PolarHBondContact NZ-OE1 3.13Å; Q602-E606 HydrophobicContact CG-CG 4.48Å; Q602-E606 WeakPolarHBondContact CG-OE1 3.44Å; Q602-E606 PolarHBondContact NE2-OE1 2.84Å; Q602-E606 WeakPolarHBondContact O-CG 3.39Å; Q602-E606 PolarHBondContact O-N 3.06Å; L603-E606 PolarHBondContact O-N 2.87Å; E606-E609 PolarHBondContact O-N 3.18Å; E606-H610 VanDerWaalsContact O-CB 3.23Å; E606-H610 WeakPolarHBondContact O-CB 3.23Å; E606-H610 PolarHBondContact O-N 3.39Å
607	F	79.5	Confident	81.6	Confident	134 Å²	134	51.9 Å²	51.9	59%	0.588	26%	0.255	S	S	*	.	H	α-helix	trans	-59.9	-47.9	166.5	-173.5	-85	0	0	0	111.4	L603 M605 H611	L603-F607 WeakPolarHBondContact O-CB 3.22Å; L603-F607 PolarHBondContact O-N 2.92Å; M605-F607 VanDerWaalsContact C-N 3.32Å; M605-F607 PolarHBondContact O-N 2.91Å; F607-H611 AromaticContact CD1-ND1 3.83Å; F607-H611 AromaticContact CD2-CE1 3.69Å; F607-H611 AromaticContact CD2-ND1 3.98Å; F607-H611 AromaticContact CE1-CE1 3.8Å; F607-H611 AromaticContact CE1-ND1 3.74Å; F607-H611 AromaticContact CE2-CE1 3.29Å; F607-H611 WeakPolarHBondContact CE2-CE1 3.38Å; F607-H611 AromaticContact CE2-ND1 3.92Å; F607-H611 AromaticContact CG-ND1 3.94Å; F607-H611 AromaticContact CZ-CE1 3.34Å; F607-H611 WeakPolarHBondContact CZ-CE1 3.49Å; F607-H611 AromaticContact CZ-ND1 3.79Å; F607-H611 AromaticContact CZ-NE2 3.75Å; F607-H611 WeakPolarHBondContact O-CB 3.4Å; F607-H611 PolarHBondContact O-N 3.01Å; F607-H611 PolarHBondContact O-ND1 3.48Å
608	Y	83.7	Confident	82.6	Confident	27 Å²	27	50 Å²	50	11%	0.106	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-49.4	175.6	-178.7	-82.8	0	0	0	111.5	R479 N482 S604 M605 H610 H611 N612	R479-Y608 PolarHBondContact O-OH 3.05Å; N482-Y608 HydrophobicContact CB-CD1 3.88Å; N482-Y608 HydrophobicContact CB-CE1 3.41Å; N482-Y608 VanDerWaalsContact CB-CE1 3.41Å; N482-Y608 HydrophobicContact CB-CE2 4.39Å; N482-Y608 VanDerWaalsContact CG-CZ 3.4Å; N482-Y608 WeakPolarHBondContact OD1-CE2 3.49Å; S604-Y608 PolarHBondContact O-N 2.99Å; M605-Y608 CarbonylContact O-C 3.55Å; M605-Y608 WeakPolarHBondContact O-CA 3.45Å; M605-Y608 WeakPolarHBondContact O-CB 3.39Å; M605-Y608 PolarHBondContact O-N 3.35Å; M605-Y608 VanDerWaalsContact O-N 3.08Å; Y608-H610 PolarHBondContact O-N 3.19Å; Y608-H611 PolarHBondContact O-N 2.62Å; Y608-N612 HydrophobicContact CD1-CB 4.2Å; Y608-N612 HydrophobicContact CE1-CB 3.73Å; Y608-N612 WeakPolarHBondContact O-CB 3.32Å; Y608-N612 PolarHBondContact O-N 3.15Å; Y608-N612 PolarHBondContact O-ND2 2.96Å
609	E	86	Confident	83.7	Confident	16 Å²	16	47.3 Å²	47.3	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-51.2	-179.5	-72.1	164.7	-174.2	0	0	111.2	K234 F236 L480 M605 E606 H611 N612 C613 R618	K234-E609 IonicContact NZ-OE1 2.68Å; K234-E609 PolarHBondContact NZ-OE1 3.46Å; K234-E609 IonicContact NZ-OE2 2.75Å; K234-E609 PolarHBondContact NZ-OE2 3.4Å; F236-E609 HydrophobicContact CZ-CB 4.35Å; L480-E609 HydrophobicContact CD1-CB 3.81Å; L480-E609 HydrophobicContact CD1-CG 3.87Å; M605-E609 HydrophobicContact CG-CG 4.41Å; M605-E609 WeakPolarHBondContact CG-OE1 3.46Å; M605-E609 WeakPolarHBondContact O-CB 3.18Å; M605-E609 VanDerWaalsContact O-CG 3.29Å; M605-E609 WeakPolarHBondContact O-CG 3.31Å; M605-E609 PolarHBondContact O-N 3.4Å; E606-E609 PolarHBondContact O-N 3.18Å; E609-H611 PolarHBondContact O-N 3.26Å; E609-N612 PolarHBondContact O-N 3.03Å; E609-N612 VanDerWaalsContact O-N 3.16Å; E609-C613 WeakPolarHBondContact O-CB 3.42Å; E609-C613 PolarHBondContact O-N 2.97Å; E609-R618 IonicContact OE2-CZ 3.34Å; E609-R618 IonicContact OE2-NH2 3.18Å; E609-R618 PolarHBondContact OE2-NH2 2.81Å
610	H	83.1	Confident	84.6	Confident	128 Å²	128	45.9 Å²	45.9	59%	0.593	23%	0.23	S	C	*	.	H	α-helix	trans	-59.8	-33.6	179	-179	84.7	0	0	0	113	E606 Y608	E606-H610 VanDerWaalsContact O-CB 3.23Å; E606-H610 WeakPolarHBondContact O-CB 3.23Å; E606-H610 PolarHBondContact O-N 3.39Å; Y608-H610 PolarHBondContact O-N 3.19Å
611	H	82.4	Confident	85.3	Confident	76 Å²	76	46.8 Å²	46.8	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-89.8	-7.8	-179.8	-73.1	85.2	0	0	0	114.1	H37 F607 Y608 E609	H37-H611 PolarHBondContact CE1-O 3.42Å; H37-H611 PolarHBondContact ND1-O 3.24Å; H37-H611 AromaticContact NE2-CD2 3.77Å; F607-H611 AromaticContact CD1-ND1 3.83Å; F607-H611 AromaticContact CD2-CE1 3.69Å; F607-H611 AromaticContact CD2-ND1 3.98Å; F607-H611 AromaticContact CE1-CE1 3.8Å; F607-H611 AromaticContact CE1-ND1 3.74Å; F607-H611 AromaticContact CE2-CE1 3.29Å; F607-H611 WeakPolarHBondContact CE2-CE1 3.38Å; F607-H611 AromaticContact CE2-ND1 3.92Å; F607-H611 AromaticContact CG-ND1 3.94Å; F607-H611 AromaticContact CZ-CE1 3.34Å; F607-H611 WeakPolarHBondContact CZ-CE1 3.49Å; F607-H611 AromaticContact CZ-ND1 3.79Å; F607-H611 AromaticContact CZ-NE2 3.75Å; F607-H611 WeakPolarHBondContact O-CB 3.4Å; F607-H611 PolarHBondContact O-N 3.01Å; F607-H611 PolarHBondContact O-ND1 3.48Å; Y608-H611 PolarHBondContact O-N 2.62Å; E609-H611 PolarHBondContact O-N 3.26Å
612	N	85.3	Confident	86.2	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.064	24%	0.243	C	C	.	.	H	α-helix	trans	-131.2	5.4	-174.3	-65.1	-88.5	0	0	0	114.3	R479 Y608 E609 G614	R479-N612 HydrophobicContact CG-CB 4.26Å; Y608-N612 HydrophobicContact CD1-CB 4.2Å; Y608-N612 HydrophobicContact CE1-CB 3.73Å; Y608-N612 WeakPolarHBondContact O-CB 3.32Å; Y608-N612 PolarHBondContact O-N 3.15Å; Y608-N612 PolarHBondContact O-ND2 2.96Å; E609-N612 PolarHBondContact O-N 3.03Å; E609-N612 VanDerWaalsContact O-N 3.16Å; N612-G614 PolarHBondContact O-N 2.83Å
613	C	85.4	Confident	86.8	Confident	24 Å²	24	51.8 Å²	51.8	16%	0.162	27%	0.271	C	S	.	.			trans	-62.7	-25.4	179.4	62.1	0	0	0	0	114.3	F236 L480 E609 N615 W616	F236-C613 HydrophobicContact CE1-CB 4.46Å; L480-C613 HydrophobicContact CD1-CB 4.46Å; E609-C613 WeakPolarHBondContact O-CB 3.42Å; E609-C613 PolarHBondContact O-N 2.97Å; C613-N615 PolarHBondContact O-N 3.25Å; C613-W616 HydrophobicContact CB-CB 4.09Å; C613-W616 VanDerWaalsContact CB-O 3.29Å; C613-W616 WeakPolarHBondContact CB-O 3.45Å; C613-W616 WeakPolarHBondContact O-CB 3.22Å; C613-W616 PolarHBondContact O-N 3.05Å; C613-W616 VanDerWaalsContact O-N 3.12Å; C613-W616 PolarHBondContact SG-O 3.01Å
614	G	89.8	Confident	87.4	Confident	40 Å²	40	51.5 Å²	51.5	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-125.1	-175.2	0	0	0	0	0	110.6	D476 N612 W616	D476-G614 WeakPolarHBondContact OD2-CA 3.32Å; N612-G614 PolarHBondContact O-N 2.83Å; G614-W616 VanDerWaalsContact C-N 3.26Å; G614-W616 PolarHBondContact O-N 3.43Å
615	N	93.2	Very high	88.2	Confident	74 Å²	74	53.4 Å²	53.4	40%	0.396	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.8	177.4	-76.1	-3.3	0	0	0	114.5	Y238 N239 D476 C613	Y238-N615 HydrophobicContact CD2-CB 4.12Å; Y238-N615 HydrophobicContact CE2-CB 3.37Å; N239-N615 PolarHBondContact N-O 2.81Å; D476-N615 PolarHBondContact OD2-N 3.22Å; C613-N615 PolarHBondContact O-N 3.25Å
616	W	95.9	Very high	88.8	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.8	168.1	-71	107.9	0	0	0	111.5	L226 F236 I237 Y238 I435 L473 T477 L480 C613 G614	L226-W616 HydrophobicContact CB-CD2 4.06Å; L226-W616 HydrophobicContact CB-CE3 3.77Å; L226-W616 HydrophobicContact CB-CH2 3.33Å; L226-W616 HydrophobicContact CB-CZ2 3.6Å; L226-W616 HydrophobicContact CB-CZ3 3.41Å; L226-W616 VanDerWaalsContact CB-CZ3 3.41Å; L226-W616 HydrophobicContact CD2-CD2 4Å; L226-W616 HydrophobicContact CD2-CG 4.4Å; L226-W616 HydrophobicContact CD2-CZ2 3.96Å; L226-W616 HydrophobicContact CG-CZ2 4.38Å; L226-W616 VanDerWaalsContact N-CZ3 3.32Å; F236-W616 HydrophobicContact CB-CB 4.15Å; F236-W616 HydrophobicContact CB-CD2 4.29Å; F236-W616 HydrophobicContact CB-CE3 3.74Å; F236-W616 HydrophobicContact CD1-CB 4.08Å; F236-W616 HydrophobicContact CG-CB 4.47Å; I237-W616 VanDerWaalsContact C-CE3 3.42Å; Y238-W616 AromaticContact CD2-CD2 3.73Å; Y238-W616 HydrophobicContact CD2-CD2 3.73Å; Y238-W616 AromaticContact CD2-CE2 3.81Å; Y238-W616 HydrophobicContact CD2-CE3 4.05Å; Y238-W616 HydrophobicContact CD2-CG 4.07Å; Y238-W616 HydrophobicContact CD2-CH2 4.45Å; Y238-W616 HydrophobicContact CD2-CZ2 4.2Å; Y238-W616 HydrophobicContact CD2-CZ3 4.39Å; Y238-W616 HydrophobicContact CG-CE3 4.47Å; Y238-W616 HydrophobicContact CG-CZ3 4.45Å; I435-W616 HydrophobicContact CG2-CH2 4.46Å; L473-W616 HydrophobicContact CD1-CH2 3.47Å; L473-W616 VanDerWaalsContact CD1-CH2 3.47Å; L473-W616 HydrophobicContact CD1-CZ2 3.28Å; L473-W616 HydrophobicContact CD1-CZ3 4.43Å; L473-W616 HydrophobicContact CG-CZ2 4.19Å; T477-W616 WeakPolarHBondContact OG1-CZ2 3.41Å; T477-W616 PolarHBondContact OG1-NE1 3.17Å; T477-W616 VanDerWaalsContact OG1-NE1 3.09Å; L480-W616 HydrophobicContact CD2-CB 4.48Å; L480-W616 HydrophobicContact CD2-CG 4.42Å; C613-W616 HydrophobicContact CB-CB 4.09Å; C613-W616 VanDerWaalsContact CB-O 3.29Å; C613-W616 WeakPolarHBondContact CB-O 3.45Å; C613-W616 WeakPolarHBondContact O-CB 3.22Å; C613-W616 PolarHBondContact O-N 3.05Å; C613-W616 VanDerWaalsContact O-N 3.12Å; C613-W616 PolarHBondContact SG-O 3.01Å; G614-W616 VanDerWaalsContact C-N 3.26Å; G614-W616 PolarHBondContact O-N 3.43Å
617	H	93.8	Very high	89.4	Confident	77 Å²	77	60.7 Å²	60.7	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131	170.7	174.3	73.2	0	0	0	110.7	F236 I237 N239	F236-H617 CarbonylContact C-O 3.58Å; F236-H617 WeakPolarHBondContact CA-O 3.26Å; I237-H617 HydrophobicContact CG2-CB 4.09Å; I237-H617 PolarHBondContact N-O 2.99Å; I237-H617 PolarHBondContact O-N 2.75Å; N239-H617 VanDerWaalsContact OD1-CB 3.23Å; N239-H617 WeakPolarHBondContact OD1-CB 3.39Å
618	R	95	Very high	90	Very high	55 Å²	55	56.1 Å²	56.1	21%	0.208	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.8	179.1	-171.2	-170.5	-64.4	168.5	4.3	110.6	F236 E609 F620	F236-R618 HydrophobicContact CD1-CB 3.76Å; F236-R618 HydrophobicContact CD1-CG 4.3Å; F236-R618 HydrophobicContact CE1-CB 3.71Å; F236-R618 HydrophobicContact CE1-CG 4.1Å; F236-R618 HydrophobicContact CG-CB 4.43Å; F236-R618 HydrophobicContact CZ-CB 4.32Å; F236-R618 HydrophobicContact CZ-CG 4.22Å; E609-R618 IonicContact OE2-CZ 3.34Å; E609-R618 IonicContact OE2-NH2 3.18Å; E609-R618 PolarHBondContact OE2-NH2 2.81Å; R618-F620 WeakPolarHBondContact CG-O 3.45Å
619	I	95.2	Very high	90.5	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-25.3	176.4	63.3	175.7	0	0	0	113	I235 I237 Y314 I317 I318	I235-I619 HydrophobicContact CB-CG1 4.04Å; I235-I619 HydrophobicContact CG2-CD1 3.89Å; I235-I619 HydrophobicContact CG2-CG1 3.83Å; I235-I619 PolarHBondContact O-N 3Å; I237-I619 HydrophobicContact CB-CD1 4.45Å; I237-I619 HydrophobicContact CB-CG2 4.31Å; I237-I619 HydrophobicContact CG2-CG2 3.73Å; Y314-I619 HydrophobicContact CD1-CG2 4.05Å; Y314-I619 HydrophobicContact CD2-CG2 4.18Å; Y314-I619 HydrophobicContact CE1-CG2 4.46Å; Y314-I619 HydrophobicContact CG-CG2 3.91Å; I317-I619 HydrophobicContact CB-CD1 4.23Å; I317-I619 HydrophobicContact CG2-CD1 3.84Å; I318-I619 HydrophobicContact CD1-CB 4.09Å; I318-I619 HydrophobicContact CD1-CD1 4.19Å; I318-I619 HydrophobicContact CD1-CG1 4.06Å; I318-I619 WeakPolarHBondContact CD1-O 3.48Å; I318-I619 HydrophobicContact CG1-CD1 3.85Å; I318-I619 HydrophobicContact CG1-CG1 4.02Å
620	F	95.3	Very high	90.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.2	175.2	-169.7	-89.1	0	0	0	112.6	L233 K234 I235 I318 R618 Y631 I635 Y658	L233-F620 HydrophobicContact CB-CD1 4.2Å; L233-F620 HydrophobicContact CB-CE1 3.92Å; L233-F620 HydrophobicContact CD2-CD1 4.18Å; L233-F620 HydrophobicContact CD2-CE1 4.14Å; L233-F620 HydrophobicContact CG-CD1 3.92Å; L233-F620 HydrophobicContact CG-CE1 4.06Å; L233-F620 VanDerWaalsContact O-CD1 3.32Å; L233-F620 WeakPolarHBondContact O-CD1 3.26Å; L233-F620 WeakPolarHBondContact O-CE1 3.28Å; K234-F620 WeakPolarHBondContact CA-O 3.42Å; I235-F620 HydrophobicContact CB-CB 3.94Å; I235-F620 HydrophobicContact CD1-CB 3.85Å; I235-F620 HydrophobicContact CD1-CG 4.33Å; I235-F620 HydrophobicContact CG1-CB 3.96Å; I235-F620 PolarHBondContact N-O 3.15Å; I235-F620 PolarHBondContact O-N 2.95Å; I318-F620 HydrophobicContact CD1-CB 4.18Å; I318-F620 HydrophobicContact CG1-CB 4.16Å; I318-F620 HydrophobicContact CG2-CD2 3.97Å; R618-F620 WeakPolarHBondContact CG-O 3.45Å; F620-Y631 HydrophobicContact CD2-CD2 4.1Å; F620-Y631 HydrophobicContact CD2-CG 4.49Å; F620-Y631 HydrophobicContact CE2-CD2 4.25Å; F620-Y631 HydrophobicContact CE2-CG 4.37Å; F620-I635 HydrophobicContact CE2-CD1 4.48Å; F620-I635 HydrophobicContact CZ-CD1 3.84Å; F620-Y658 HydrophobicContact CE1-CD1 4.41Å; F620-Y658 AromaticContact CE1-CE1 3.99Å; F620-Y658 HydrophobicContact CE1-CE1 3.99Å; F620-Y658 HydrophobicContact CZ-CD1 4.07Å; F620-Y658 HydrophobicContact CZ-CE1 4.08Å
621	P	92.7	Very high	91.5	Very high	44 Å²	44	57.9 Å²	57.9	29%	0.286	31%	0.306	S	S	.	.	S	Bend	cis	-57.2	145.6	-7.7	-25.8	36.1	0	0	0	112.9
622	S	90.6	Very high	92.1	Very high	29 Å²	29	54.2 Å²	54.2	20%	0.203	29%	0.289	C	S	.	.			trans	-84.2	137.9	-174.7	-173.6	0	0	0	0	111.3	N624	S622-N624 PolarHBondContact O-N 2.74Å; S622-N624 PolarHBondContact OG-N 3.38Å
623	N	86.4	Confident	92.6	Very high	157 Å²	157	56.5 Å²	56.5	84%	0.84	31%	0.306	S	S	*	.	S	Bend	trans	-66.6	-21.5	172.7	-63	-30.9	0	0	0	112.3	S625	N623-S625 PolarHBondContact O-N 2.78Å
624	N	89.5	Confident	93.1	Very high	80 Å²	80	55.6 Å²	55.6	43%	0.428	30%	0.299	S	S	.	.	S	Bend	trans	-82.8	109.2	177	-177.8	-30.3	0	0	0	110	S622 K626 L627 Q628	S622-N624 PolarHBondContact O-N 2.74Å; S622-N624 PolarHBondContact OG-N 3.38Å; N624-K626 PolarHBondContact O-N 3.23Å; N624-K626 VanDerWaalsContact O-N 3.16Å; N624-K626 WeakPolarHBondContact OD1-CB 3.33Å; N624-K626 PolarHBondContact OD1-N 2.99Å; N624-L627 HydrophobicContact CB-CB 4.15Å; N624-L627 HydrophobicContact CB-CD1 4.02Å; N624-L627 HydrophobicContact CB-CG 4.12Å; N624-L627 PolarHBondContact O-N 2.66Å; N624-L627 VanDerWaalsContact O-N 3.16Å; N624-L627 PolarHBondContact OD1-N 2.97Å; N624-Q628 WeakPolarHBondContact O-CB 3.31Å; N624-Q628 PolarHBondContact O-N 3.35Å
625	S	89.3	Confident	93.4	Very high	76 Å²	76	53.8 Å²	53.8	53%	0.531	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-28.3	-177.3	-169.4	0	0	0	0	114.1	N623 K629	N623-S625 PolarHBondContact O-N 2.78Å; S625-K629 WeakPolarHBondContact O-CD 3.4Å; S625-K629 VanDerWaalsContact O-CG 3.29Å; S625-K629 WeakPolarHBondContact O-CG 3.36Å; S625-K629 PolarHBondContact O-N 3.06Å
626	K	92	Very high	93.4	Very high	152 Å²	152	51 Å²	51	66%	0.661	27%	0.265	S	S	*	.	H	α-helix	trans	-71.6	-51.9	175.4	-173.8	-176.3	176	-171.9	0	110.4	N624 Q628 K629 N630	N624-K626 PolarHBondContact O-N 3.23Å; N624-K626 VanDerWaalsContact O-N 3.16Å; N624-K626 WeakPolarHBondContact OD1-CB 3.33Å; N624-K626 PolarHBondContact OD1-N 2.99Å; K626-Q628 VanDerWaalsContact C-N 3.34Å; K626-Q628 PolarHBondContact O-N 2.96Å; K626-K629 PolarHBondContact O-N 3.4Å; K626-N630 PolarHBondContact O-N 3.48Å; K626-N630 PolarHBondContact O-OD1 2.79Å
627	L	93	Very high	93.3	Very high	63 Å²	63	51.5 Å²	51.5	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-42.4	177.9	-63.7	178.8	0	0	0	111.6	N624 K629 N630 Y631	N624-L627 HydrophobicContact CB-CB 4.15Å; N624-L627 HydrophobicContact CB-CD1 4.02Å; N624-L627 HydrophobicContact CB-CG 4.12Å; N624-L627 PolarHBondContact O-N 2.66Å; N624-L627 VanDerWaalsContact O-N 3.16Å; N624-L627 PolarHBondContact OD1-N 2.97Å; L627-K629 VanDerWaalsContact C-N 3.28Å; L627-K629 PolarHBondContact O-N 2.84Å; L627-N630 PolarHBondContact O-N 2.78Å; L627-N630 VanDerWaalsContact O-N 3.15Å; L627-Y631 HydrophobicContact CB-CD2 4.29Å; L627-Y631 HydrophobicContact CB-CE2 3.83Å; L627-Y631 WeakPolarHBondContact O-CD2 3.47Å; L627-Y631 PolarHBondContact O-N 2.94Å
628	Q	92.8	Very high	93.3	Very high	37 Å²	37	48.2 Å²	48.2	17%	0.173	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-39.2	176.4	-177	57.5	31.1	0	0	112.6	N624 K626 A632	N624-Q628 WeakPolarHBondContact O-CB 3.31Å; N624-Q628 PolarHBondContact O-N 3.35Å; K626-Q628 VanDerWaalsContact C-N 3.34Å; K626-Q628 PolarHBondContact O-N 2.96Å; Q628-A632 WeakPolarHBondContact O-CB 3.32Å; Q628-A632 PolarHBondContact O-N 3.09Å
629	K	93.4	Very high	93.2	Very high	133 Å²	133	45.6 Å²	45.6	58%	0.578	24%	0.244	S	C	*	.	H	α-helix	trans	-69.7	-40.8	175.1	-74.6	171	-178.3	175.3	0	112.4	S625 K626 L627 A632 S633	S625-K629 WeakPolarHBondContact O-CD 3.4Å; S625-K629 VanDerWaalsContact O-CG 3.29Å; S625-K629 WeakPolarHBondContact O-CG 3.36Å; S625-K629 PolarHBondContact O-N 3.06Å; K626-K629 PolarHBondContact O-N 3.4Å; L627-K629 VanDerWaalsContact C-N 3.28Å; L627-K629 PolarHBondContact O-N 2.84Å; K629-A632 PolarHBondContact O-N 3.21Å; K629-S633 PolarHBondContact O-N 2.88Å
630	N	94.8	Very high	93	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.353	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-52.8	174.7	-74.8	31.4	0	0	0	111	K626 L627 A632 S633 L634	K626-N630 PolarHBondContact O-N 3.48Å; K626-N630 PolarHBondContact O-OD1 2.79Å; L627-N630 PolarHBondContact O-N 2.78Å; L627-N630 VanDerWaalsContact O-N 3.15Å; N630-A632 VanDerWaalsContact C-N 3.31Å; N630-A632 PolarHBondContact O-N 3.01Å; N630-S633 WeakPolarHBondContact O-CA 3.2Å; N630-S633 WeakPolarHBondContact O-CB 3.44Å; N630-S633 PolarHBondContact O-N 2.83Å; N630-L634 PolarHBondContact O-N 3.32Å
631	Y	96.6	Very high	92.7	Very high	9 Å²	9	54.4 Å²	54.4	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-40.4	176.7	-63.2	-44.3	0	0	0	112.4	D315 I318 K319 I322 F620 L627 S633 L634 I635	D315-Y631 WeakPolarHBondContact CA-OH 3.12Å; D315-Y631 WeakPolarHBondContact OD1-CE1 3.48Å; D315-Y631 PolarHBondContact OD1-OH 2.78Å; I318-Y631 HydrophobicContact CB-CD1 4.41Å; I318-Y631 HydrophobicContact CB-CE1 4.06Å; I318-Y631 HydrophobicContact CD1-CD2 4.37Å; I318-Y631 HydrophobicContact CD1-CE1 4.42Å; I318-Y631 HydrophobicContact CD1-CE2 3.65Å; I318-Y631 HydrophobicContact CG2-CD1 3.56Å; I318-Y631 HydrophobicContact CG2-CD2 4.04Å; I318-Y631 HydrophobicContact CG2-CE1 3.69Å; I318-Y631 HydrophobicContact CG2-CE2 4.16Å; I318-Y631 HydrophobicContact CG2-CG 3.76Å; K319-Y631 HydrophobicContact CG-CE1 4.48Å; I322-Y631 HydrophobicContact CD1-CD1 4.21Å; F620-Y631 HydrophobicContact CD2-CD2 4.1Å; F620-Y631 HydrophobicContact CD2-CG 4.49Å; F620-Y631 HydrophobicContact CE2-CD2 4.25Å; F620-Y631 HydrophobicContact CE2-CG 4.37Å; L627-Y631 HydrophobicContact CB-CD2 4.29Å; L627-Y631 HydrophobicContact CB-CE2 3.83Å; L627-Y631 WeakPolarHBondContact O-CD2 3.47Å; L627-Y631 PolarHBondContact O-N 2.94Å; Y631-S633 VanDerWaalsContact C-N 3.3Å; Y631-S633 PolarHBondContact O-N 2.77Å; Y631-L634 PolarHBondContact O-N 2.74Å; Y631-I635 VanDerWaalsContact O-CG1 3.32Å; Y631-I635 WeakPolarHBondContact O-CG1 3.25Å; Y631-I635 PolarHBondContact O-N 3.32Å
632	A	94.6	Very high	92.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-34.6	174.7	0	0	0	0	0	112.7	Q628 K629 N630 M636 Y658 L659	Q628-A632 WeakPolarHBondContact O-CB 3.32Å; Q628-A632 PolarHBondContact O-N 3.09Å; K629-A632 PolarHBondContact O-N 3.21Å; N630-A632 VanDerWaalsContact C-N 3.31Å; N630-A632 PolarHBondContact O-N 3.01Å; A632-M636 WeakPolarHBondContact O-CG 3.37Å; A632-M636 PolarHBondContact O-N 3.48Å; A632-M636 VanDerWaalsContact O-N 3.13Å; A632-Y658 VanDerWaalsContact CB-O 3.26Å; A632-Y658 WeakPolarHBondContact CB-O 3.41Å; A632-L659 HydrophobicContact CB-CD2 3.55Å; A632-L659 HydrophobicContact CB-CG 3.94Å
633	S	94.7	Very high	92.3	Very high	60 Å²	60	54.7 Å²	54.7	42%	0.42	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-45.7	171.8	-165	0	0	0	0	111.9	K629 N630 Y631 I635 M636 T637	K629-S633 PolarHBondContact O-N 2.88Å; N630-S633 WeakPolarHBondContact O-CA 3.2Å; N630-S633 WeakPolarHBondContact O-CB 3.44Å; N630-S633 PolarHBondContact O-N 2.83Å; Y631-S633 VanDerWaalsContact C-N 3.3Å; Y631-S633 PolarHBondContact O-N 2.77Å; S633-I635 VanDerWaalsContact C-N 3.3Å; S633-I635 PolarHBondContact O-N 2.92Å; S633-M636 WeakPolarHBondContact O-CA 3.32Å; S633-M636 WeakPolarHBondContact O-CB 3.12Å; S633-M636 PolarHBondContact O-N 2.68Å; S633-T637 PolarHBondContact O-N 3.07Å
634	L	96.1	Very high	92	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-35.7	176.8	-63.2	180	0	0	0	112.3	E134 E137 Y138 K319 I322 N630 Y631 T637 S638	E134-L634 HydrophobicContact CB-CD2 4.12Å; E134-L634 HydrophobicContact CG-CD2 3.76Å; E137-L634 HydrophobicContact CB-CD1 4.45Å; E137-L634 HydrophobicContact CB-CD2 4.33Å; E137-L634 HydrophobicContact CG-CD2 4.26Å; Y138-L634 HydrophobicContact CE2-CD1 4.4Å; Y138-L634 HydrophobicContact CE2-CD2 4.33Å; K319-L634 HydrophobicContact CD-CD1 4.39Å; K319-L634 HydrophobicContact CG-CD1 4.01Å; I322-L634 HydrophobicContact CD1-CB 4.29Å; I322-L634 HydrophobicContact CG2-CB 4.24Å; N630-L634 PolarHBondContact O-N 3.32Å; Y631-L634 PolarHBondContact O-N 2.74Å; L634-T637 PolarHBondContact O-N 3.17Å; L634-S638 WeakPolarHBondContact O-CB 3.42Å; L634-S638 PolarHBondContact O-N 3.32Å
635	I	95.7	Very high	90.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-46	169.5	-72.1	168.9	0	0	0	110.7	I322 L325 F620 Y631 S633 T637 S638 F639 I654 Y658	I322-I635 HydrophobicContact CB-CG1 4.41Å; I322-I635 HydrophobicContact CD1-CD1 4.42Å; I322-I635 HydrophobicContact CD1-CG1 3.92Å; I322-I635 HydrophobicContact CG1-CD1 4.28Å; I322-I635 HydrophobicContact CG1-CG1 3.69Å; I322-I635 HydrophobicContact CG2-CG1 4Å; L325-I635 HydrophobicContact CD2-CD1 3.95Å; L325-I635 HydrophobicContact CD2-CG1 3.88Å; L325-I635 HydrophobicContact CD2-CG2 3.91Å; F620-I635 HydrophobicContact CE2-CD1 4.48Å; F620-I635 HydrophobicContact CZ-CD1 3.84Å; Y631-I635 VanDerWaalsContact O-CG1 3.32Å; Y631-I635 WeakPolarHBondContact O-CG1 3.25Å; Y631-I635 PolarHBondContact O-N 3.32Å; S633-I635 VanDerWaalsContact C-N 3.3Å; S633-I635 PolarHBondContact O-N 2.92Å; I635-T637 VanDerWaalsContact C-N 3.34Å; I635-T637 PolarHBondContact O-N 3.12Å; I635-S638 PolarHBondContact O-N 2.92Å; I635-F639 HydrophobicContact CG2-CD2 3.96Å; I635-F639 HydrophobicContact CG2-CE2 4.22Å; I635-F639 WeakPolarHBondContact O-CD2 3.2Å; I635-F639 PolarHBondContact O-N 2.82Å; I635-I654 HydrophobicContact CG2-CG2 3.77Å; I635-Y658 HydrophobicContact CD1-CD1 3.82Å; I635-Y658 HydrophobicContact CD1-CD2 4.33Å; I635-Y658 HydrophobicContact CD1-CE1 3.99Å; I635-Y658 HydrophobicContact CD1-CE2 4.48Å; I635-Y658 HydrophobicContact CD1-CG 4Å; I635-Y658 HydrophobicContact CG2-CD2 3.77Å; I635-Y658 HydrophobicContact CG2-CE2 4.06Å; I635-Y658 HydrophobicContact CG2-CG 4.3Å
636	M	93.3	Very high	89.8	Confident	17 Å²	17	54.1 Å²	54.1	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-36.9	176.5	-67.9	-55.2	-60.3	0	0	112.6	A632 S633 K640 L651 I654 K655 L659	A632-M636 WeakPolarHBondContact O-CG 3.37Å; A632-M636 PolarHBondContact O-N 3.48Å; A632-M636 VanDerWaalsContact O-N 3.13Å; S633-M636 WeakPolarHBondContact O-CA 3.32Å; S633-M636 WeakPolarHBondContact O-CB 3.12Å; S633-M636 PolarHBondContact O-N 2.68Å; M636-K640 VanDerWaalsContact O-CG 3.24Å; M636-K640 WeakPolarHBondContact O-CG 3.38Å; M636-K640 PolarHBondContact O-N 2.68Å; M636-L651 HydrophobicContact CE-CD1 3.5Å; M636-L651 HydrophobicContact CE-CG 3.81Å; M636-I654 HydrophobicContact SD-CG2 3.82Å; M636-K655 HydrophobicContact CE-CB 3.83Å; M636-K655 HydrophobicContact CE-CG 4.46Å; M636-K655 HydrophobicContact SD-CB 3.92Å; M636-L659 HydrophobicContact CG-CD1 3.58Å; M636-L659 HydrophobicContact CG-CG 4.33Å; M636-L659 HydrophobicContact SD-CD1 4.5Å
637	T	93.6	Very high	88.3	Confident	13 Å²	13	55 Å²	55	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-44.9	173.7	-65	0	0	0	0	111.7	M130 A133 E134 S633 L634 I635 F639 K640 Q641	M130-T637 HydrophobicContact CE-CG2 4.06Å; M130-T637 HydrophobicContact SD-CG2 4.49Å; A133-T637 HydrophobicContact CB-CG2 3.76Å; E134-T637 HydrophobicContact CG-CG2 3.87Å; E134-T637 WeakPolarHBondContact OE1-CB 3.24Å; E134-T637 WeakPolarHBondContact OE1-CG2 3.43Å; E134-T637 PolarHBondContact OE1-OG1 2.91Å; S633-T637 PolarHBondContact O-N 3.07Å; L634-T637 PolarHBondContact O-N 3.17Å; I635-T637 VanDerWaalsContact C-N 3.34Å; I635-T637 PolarHBondContact O-N 3.12Å; T637-F639 VanDerWaalsContact C-N 3.35Å; T637-F639 PolarHBondContact O-N 3.41Å; T637-K640 WeakPolarHBondContact O-CB 3.28Å; T637-K640 PolarHBondContact O-N 3.42Å; T637-K640 VanDerWaalsContact O-N 3.13Å; T637-Q641 HydrophobicContact CG2-CG 4.41Å; T637-Q641 WeakPolarHBondContact O-CG 3.44Å; T637-Q641 PolarHBondContact O-N 3.42Å
638	S	93.9	Very high	87.4	Confident	7 Å²	7	55.8 Å²	55.8	5%	0.049	29%	0.286	C	S	.	.	H	α-helix	trans	-55.3	-46.4	174.6	-178.8	0	0	0	0	112.1	I322 P326 L634 I635 Q641 F642	I322-S638 WeakPolarHBondContact O-CB 3.33Å; I322-S638 PolarHBondContact O-OG 3.08Å; P326-S638 WeakPolarHBondContact CD-OG 3.38Å; P326-S638 VanDerWaalsContact CG-OG 3.26Å; P326-S638 WeakPolarHBondContact CG-OG 3.46Å; L634-S638 WeakPolarHBondContact O-CB 3.42Å; L634-S638 PolarHBondContact O-N 3.32Å; I635-S638 PolarHBondContact O-N 2.92Å; S638-Q641 PolarHBondContact O-N 3.45Å; S638-F642 WeakPolarHBondContact O-CB 3.25Å; S638-F642 PolarHBondContact O-N 2.78Å
639	F	92.8	Very high	86.7	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-36.2	174.9	-91.5	-84.4	0	0	0	114.3	L325 P326 I329 I635 T637 F642 L643 L650 L651 I654	L325-F639 HydrophobicContact CD2-CE2 4.2Å; L325-F639 HydrophobicContact CG-CE2 4.1Å; P326-F639 HydrophobicContact CB-CD1 4.1Å; P326-F639 HydrophobicContact CB-CD2 4.49Å; P326-F639 HydrophobicContact CB-CE1 3.92Å; P326-F639 HydrophobicContact CB-CE2 4.34Å; P326-F639 HydrophobicContact CB-CG 4.39Å; P326-F639 HydrophobicContact CB-CZ 4.05Å; P326-F639 HydrophobicContact CG-CD1 4.34Å; P326-F639 HydrophobicContact CG-CD2 3.96Å; P326-F639 HydrophobicContact CG-CE1 4.41Å; P326-F639 HydrophobicContact CG-CE2 4.04Å; P326-F639 HydrophobicContact CG-CG 4.13Å; P326-F639 HydrophobicContact CG-CZ 4.26Å; I329-F639 HydrophobicContact CB-CZ 4.34Å; I329-F639 HydrophobicContact CD1-CE2 4.36Å; I329-F639 HydrophobicContact CD1-CZ 3.92Å; I329-F639 HydrophobicContact CG2-CZ 4.45Å; I635-F639 HydrophobicContact CG2-CD2 3.96Å; I635-F639 HydrophobicContact CG2-CE2 4.22Å; I635-F639 WeakPolarHBondContact O-CD2 3.2Å; I635-F639 PolarHBondContact O-N 2.82Å; T637-F639 VanDerWaalsContact C-N 3.35Å; T637-F639 PolarHBondContact O-N 3.41Å; F639-F642 PolarHBondContact O-N 3.48Å; F639-L643 WeakPolarHBondContact O-CB 2.98Å; F639-L643 WeakPolarHBondContact O-CG 3.45Å; F639-L643 PolarHBondContact O-N 2.86Å; F639-L650 HydrophobicContact CE1-CD2 4.13Å; F639-L650 HydrophobicContact CE1-CG 4.34Å; F639-L651 HydrophobicContact CB-CD1 3.86Å; F639-I654 HydrophobicContact CD1-CG1 4.27Å; F639-I654 HydrophobicContact CD2-CG1 4.32Å; F639-I654 HydrophobicContact CD2-CG2 3.71Å; F639-I654 HydrophobicContact CE1-CD1 4.19Å; F639-I654 HydrophobicContact CE1-CG1 3.95Å; F639-I654 HydrophobicContact CE2-CD1 3.79Å; F639-I654 HydrophobicContact CE2-CG1 4.01Å; F639-I654 HydrophobicContact CE2-CG2 3.92Å; F639-I654 HydrophobicContact CG-CG1 4.44Å; F639-I654 HydrophobicContact CG-CG2 4.19Å; F639-I654 HydrophobicContact CZ-CD1 3.58Å; F639-I654 HydrophobicContact CZ-CG1 3.81Å
640	K	91.3	Very high	86.1	Confident	103 Å²	103	56.5 Å²	56.5	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-43	172.9	-72.6	165.8	-169.3	167.6	0	111.7	M636 T637 H644 G645	M636-K640 VanDerWaalsContact O-CG 3.24Å; M636-K640 WeakPolarHBondContact O-CG 3.38Å; M636-K640 PolarHBondContact O-N 2.68Å; T637-K640 WeakPolarHBondContact O-CB 3.28Å; T637-K640 PolarHBondContact O-N 3.42Å; T637-K640 VanDerWaalsContact O-N 3.13Å; K640-H644 PolarHBondContact O-N 2.92Å; K640-G645 PolarHBondContact O-N 3.04Å
641	Q	90	Very high	85.7	Confident	90 Å²	90	54.3 Å²	54.3	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-43.9	177.8	-66.4	-62.1	-18.5	0	0	111.2	M130 T637 S638 H644	M130-Q641 HydrophobicContact SD-CG 4.45Å; T637-Q641 HydrophobicContact CG2-CG 4.41Å; T637-Q641 WeakPolarHBondContact O-CG 3.44Å; T637-Q641 PolarHBondContact O-N 3.42Å; S638-Q641 PolarHBondContact O-N 3.45Å; Q641-H644 PolarHBondContact O-N 2.93Å
642	F	88.6	Confident	85.1	Confident	57 Å²	57	58 Å²	58	25%	0.25	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-41.2	177	180	-100.2	0	0	0	113.4	P326 H327 H330 S638 F639 H644	P326-F642 HydrophobicContact CB-CB 3.59Å; P326-F642 HydrophobicContact CB-CD1 3.62Å; P326-F642 HydrophobicContact CB-CD2 3.75Å; P326-F642 HydrophobicContact CB-CE1 4.2Å; P326-F642 HydrophobicContact CB-CE2 4.3Å; P326-F642 HydrophobicContact CB-CG 3.37Å; P326-F642 HydrophobicContact CG-CB 4Å; P326-F642 HydrophobicContact CG-CG 4.3Å; H327-F642 AromaticContact CD2-CD2 3.51Å; H327-F642 AromaticContact CD2-CE2 3.53Å; H327-F642 AromaticContact CE1-CE2 3.87Å; H327-F642 AromaticContact CG-CE2 3.76Å; H327-F642 AromaticContact ND1-CE2 3.95Å; H327-F642 AromaticContact NE2-CD2 3.42Å; H327-F642 WeakPolarHBondContact NE2-CD2 3.14Å; H327-F642 AromaticContact NE2-CE2 3.6Å; H330-F642 HydrophobicContact CB-CZ 4.15Å; S638-F642 WeakPolarHBondContact O-CB 3.25Å; S638-F642 PolarHBondContact O-N 2.78Å; F639-F642 PolarHBondContact O-N 3.48Å; F642-H644 VanDerWaalsContact C-N 3.28Å; F642-H644 PolarHBondContact O-N 3.05Å
643	L	86.1	Confident	84.6	Confident	22 Å²	22	61.9 Å²	61.9	12%	0.115	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4	-179.9	-64.5	177.9	0	0	0	113.9	F639 G645 N646 L651	F639-L643 WeakPolarHBondContact O-CB 2.98Å; F639-L643 WeakPolarHBondContact O-CG 3.45Å; F639-L643 PolarHBondContact O-N 2.86Å; L643-G645 PolarHBondContact O-N 3.4Å; L643-N646 WeakPolarHBondContact O-CB 3.31Å; L643-N646 PolarHBondContact O-N 3.03Å; L643-N646 PolarHBondContact O-ND2 3.19Å; L643-L651 HydrophobicContact CD1-CB 4.29Å; L643-L651 HydrophobicContact CD1-CD1 4.45Å
644	H	80.3	Confident	84.3	Confident	154 Å²	154	59.1 Å²	59.1	71%	0.713	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	37.3	-172.8	-64.9	-73.2	0	0	0	113.2	K640 Q641 F642 N646	K640-H644 PolarHBondContact O-N 2.92Å; Q641-H644 PolarHBondContact O-N 2.93Å; F642-H644 VanDerWaalsContact C-N 3.28Å; F642-H644 PolarHBondContact O-N 3.05Å; H644-N646 VanDerWaalsContact C-N 3.29Å; H644-N646 PolarHBondContact O-N 2.87Å
645	G	64.4	Low	83.9	Confident	49 Å²	49	63.4 Å²	63.4	51%	0.505	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-4.9	-178.8	0	0	0	0	0	116.3	K640 L643 Q647	K640-G645 PolarHBondContact O-N 3.04Å; L643-G645 PolarHBondContact O-N 3.4Å; G645-Q647 PolarHBondContact O-N 3.17Å
646	N	67.5	Low	83.4	Confident	97 Å²	97	66.1 Å²	66.1	52%	0.519	34%	0.339	S	S	.	.			trans	-64.3	120.1	179.7	-68.9	-60.5	0	0	0	111.7	L643 H644 N648	L643-N646 WeakPolarHBondContact O-CB 3.31Å; L643-N646 PolarHBondContact O-N 3.03Å; L643-N646 PolarHBondContact O-ND2 3.19Å; H644-N646 VanDerWaalsContact C-N 3.29Å; H644-N646 PolarHBondContact O-N 2.87Å; N646-N648 PolarHBondContact O-N 3.42Å
647	Q	61.8	Low	83	Confident	172 Å²	172	67.6 Å²	67.6	80%	0.804	35%	0.349	S	S	*	.			trans	-78.5	87.6	176.7	-65.1	-169.5	19	0	0	110.6	G645 L651	G645-Q647 PolarHBondContact O-N 3.17Å; Q647-L651 HydrophobicContact CG-CD2 4.47Å
648	N	72.2	Confident	82.8	Confident	79 Å²	79	67.6 Å²	67.6	42%	0.422	35%	0.348	S	S	.	.			trans	-96.7	160.4	174.4	-60.9	-22.1	0	0	0	110.7	N646 L650 L651	N646-N648 PolarHBondContact O-N 3.42Å; N648-L650 PolarHBondContact O-N 3.17Å; N648-L650 VanDerWaalsContact O-N 3.08Å; N648-L651 WeakPolarHBondContact O-CB 3.4Å; N648-L651 PolarHBondContact O-N 2.91Å
649	D	78	Confident	82.4	Confident	141 Å²	141	70.4 Å²	70.4	75%	0.754	36%	0.362	S	S	*	.	H	α-helix	trans	-52.7	-34.8	177.1	-62.6	-51.3	0	0	0	113.1	L651 N652 E653	D649-L651 PolarHBondContact O-N 3.28Å; D649-N652 WeakPolarHBondContact O-CB 3.38Å; D649-N652 PolarHBondContact O-N 3.2Å; D649-E653 PolarHBondContact O-N 3.17Å
650	L	82.7	Confident	82	Confident	44 Å²	44	75.3 Å²	75.3	23%	0.23	39%	0.388	C	S	.	.	H	α-helix	trans	-53.5	-37.8	173.3	-179.7	63.5	0	0	0	112.8	F639 N648 E653 I654	F639-L650 HydrophobicContact CE1-CD2 4.13Å; F639-L650 HydrophobicContact CE1-CG 4.34Å; N648-L650 PolarHBondContact O-N 3.17Å; N648-L650 VanDerWaalsContact O-N 3.08Å; L650-E653 PolarHBondContact O-N 2.98Å; L650-I654 HydrophobicContact CD1-CG1 4.12Å; L650-I654 HydrophobicContact CG-CG1 4.36Å; L650-I654 WeakPolarHBondContact O-CB 3.47Å; L650-I654 WeakPolarHBondContact O-CG1 3.36Å; L650-I654 PolarHBondContact O-N 3.38Å
651	L	85	Confident	81.6	Confident	19 Å²	19	74.1 Å²	74.1	10%	0.099	39%	0.391	C	S	.	.	H	α-helix	trans	-70.7	-34.1	179.7	-167.7	66.7	0	0	0	111.4	M636 F639 L643 Q647 N648 D649 K655	M636-L651 HydrophobicContact CE-CD1 3.5Å; M636-L651 HydrophobicContact CE-CG 3.81Å; F639-L651 HydrophobicContact CB-CD1 3.86Å; L643-L651 HydrophobicContact CD1-CB 4.29Å; L643-L651 HydrophobicContact CD1-CD1 4.45Å; Q647-L651 HydrophobicContact CG-CD2 4.47Å; N648-L651 WeakPolarHBondContact O-CB 3.4Å; N648-L651 PolarHBondContact O-N 2.91Å; D649-L651 PolarHBondContact O-N 3.28Å; L651-K655 VanDerWaalsContact O-CB 3.26Å; L651-K655 WeakPolarHBondContact O-CB 3.4Å; L651-K655 PolarHBondContact O-N 2.99Å
652	N	83.9	Confident	81.1	Confident	88 Å²	88	73.4 Å²	73.4	47%	0.471	39%	0.389	S	S	.	.	H	α-helix	trans	-72.2	-36.5	173.4	-69.3	-38.8	0	0	0	111.7	D649 T656	D649-N652 WeakPolarHBondContact O-CB 3.38Å; D649-N652 PolarHBondContact O-N 3.2Å; N652-T656 WeakPolarHBondContact O-CB 3.12Å; N652-T656 PolarHBondContact O-N 3.37Å; N652-T656 PolarHBondContact O-OG1 3.04Å
653	E	84.6	Confident	80.8	Confident	81 Å²	81	73.8 Å²	73.8	38%	0.379	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-53	173.1	-168.4	-172	167.9	0	0	111.1	R333 D649 L650 K655 T656 T657	R333-E653 IonicContact CZ-OE1 3.82Å; R333-E653 IonicContact CZ-OE2 2.78Å; R333-E653 VanDerWaalsContact NH1-CD 3.25Å; R333-E653 IonicContact NH1-OE1 2.71Å; R333-E653 PolarHBondContact NH1-OE1 3.48Å; R333-E653 VanDerWaalsContact NH1-OE1 3.12Å; R333-E653 IonicContact NH1-OE2 2.88Å; R333-E653 PolarHBondContact NH1-OE2 2.95Å; R333-E653 IonicContact NH2-OE1 3.19Å; R333-E653 PolarHBondContact NH2-OE1 3.36Å; R333-E653 IonicContact NH2-OE2 3.71Å; D649-E653 PolarHBondContact O-N 3.17Å; L650-E653 PolarHBondContact O-N 2.98Å; E653-K655 VanDerWaalsContact C-N 3.31Å; E653-K655 PolarHBondContact O-N 3.33Å; E653-T656 CarbonylContact O-C 3.56Å; E653-T656 WeakPolarHBondContact O-CA 3.45Å; E653-T656 WeakPolarHBondContact O-CB 3.5Å; E653-T656 PolarHBondContact O-N 3.17Å; E653-T657 PolarHBondContact O-N 2.85Å; E653-T657 PolarHBondContact O-OG1 3.13Å
654	I	88.2	Confident	80.6	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-59.3	-40.6	177.8	-66.6	-68.5	0	0	0	111.3	I329 I635 M636 F639 L650 T656 T657 Y658	I329-I654 HydrophobicContact CD1-CD1 3.76Å; I635-I654 HydrophobicContact CG2-CG2 3.77Å; M636-I654 HydrophobicContact SD-CG2 3.82Å; F639-I654 HydrophobicContact CD1-CG1 4.27Å; F639-I654 HydrophobicContact CD2-CG1 4.32Å; F639-I654 HydrophobicContact CD2-CG2 3.71Å; F639-I654 HydrophobicContact CE1-CD1 4.19Å; F639-I654 HydrophobicContact CE1-CG1 3.95Å; F639-I654 HydrophobicContact CE2-CD1 3.79Å; F639-I654 HydrophobicContact CE2-CG1 4.01Å; F639-I654 HydrophobicContact CE2-CG2 3.92Å; F639-I654 HydrophobicContact CG-CG1 4.44Å; F639-I654 HydrophobicContact CG-CG2 4.19Å; F639-I654 HydrophobicContact CZ-CD1 3.58Å; F639-I654 HydrophobicContact CZ-CG1 3.81Å; L650-I654 HydrophobicContact CD1-CG1 4.12Å; L650-I654 HydrophobicContact CG-CG1 4.36Å; L650-I654 WeakPolarHBondContact O-CB 3.47Å; L650-I654 WeakPolarHBondContact O-CG1 3.36Å; L650-I654 PolarHBondContact O-N 3.38Å; I654-T656 VanDerWaalsContact C-N 3.3Å; I654-T656 PolarHBondContact O-N 2.55Å; I654-T657 PolarHBondContact O-N 3.46Å; I654-Y658 HydrophobicContact CD1-CE2 4.07Å; I654-Y658 HydrophobicContact CG2-CD2 3.83Å; I654-Y658 HydrophobicContact CG2-CE2 4.18Å; I654-Y658 WeakPolarHBondContact O-CD2 3.45Å; I654-Y658 PolarHBondContact O-N 2.95Å
655	K	87.4	Confident	80.8	Confident	95 Å²	95	70 Å²	70	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-41.7	172.5	-177.7	-179.6	178.8	-176.2	0	112	M636 L651 E653 L659 N660	M636-K655 HydrophobicContact CE-CB 3.83Å; M636-K655 HydrophobicContact CE-CG 4.46Å; M636-K655 HydrophobicContact SD-CB 3.92Å; L651-K655 VanDerWaalsContact O-CB 3.26Å; L651-K655 WeakPolarHBondContact O-CB 3.4Å; L651-K655 PolarHBondContact O-N 2.99Å; E653-K655 VanDerWaalsContact C-N 3.31Å; E653-K655 PolarHBondContact O-N 3.33Å; K655-L659 HydrophobicContact CG-CD1 4.31Å; K655-L659 WeakPolarHBondContact O-CB 3.41Å; K655-L659 PolarHBondContact O-N 3.14Å; K655-N660 PolarHBondContact O-N 3.12Å; K655-N660 VanDerWaalsContact O-N 3.12Å
656	T	86	Confident	81.8	Confident	58 Å²	58	72 Å²	72	36%	0.356	38%	0.379	S	S	.	.	H	α-helix	trans	-69.5	-41.1	177.3	-52.7	0	0	0	0	111	N652 E653 I654 Y658 N660 P661 I662	N652-T656 WeakPolarHBondContact O-CB 3.12Å; N652-T656 PolarHBondContact O-N 3.37Å; N652-T656 PolarHBondContact O-OG1 3.04Å; E653-T656 CarbonylContact O-C 3.56Å; E653-T656 WeakPolarHBondContact O-CA 3.45Å; E653-T656 WeakPolarHBondContact O-CB 3.5Å; E653-T656 PolarHBondContact O-N 3.17Å; I654-T656 VanDerWaalsContact C-N 3.3Å; I654-T656 PolarHBondContact O-N 2.55Å; T656-Y658 PolarHBondContact O-N 3.1Å; T656-N660 CarbonylContact O-C 3.4Å; T656-P661 VanDerWaalsContact O-CA 3.25Å; T656-P661 WeakPolarHBondContact O-CA 3.27Å; T656-P661 VanDerWaalsContact O-N 3.16Å; T656-I662 HydrophobicContact CG2-CD1 3.85Å; T656-I662 HydrophobicContact CG2-CG1 3.89Å
657	T	85.8	Confident	82.5	Confident	48 Å²	48	67.4 Å²	67.4	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-38.4	179.7	-60.8	0	0	0	0	113.6	P232 E653 I654	P232-T657 HydrophobicContact CB-CG2 3.86Å; E653-T657 PolarHBondContact O-N 2.85Å; E653-T657 PolarHBondContact O-OG1 3.13Å; I654-T657 PolarHBondContact O-N 3.46Å
658	Y	88.9	Confident	83.5	Confident	13 Å²	13	61.8 Å²	61.8	5%	0.051	33%	0.327	C	S	.	.	H	α-helix	trans	-111.8	-33.9	-170.5	-63.6	-72.5	0	0	0	116	P232 L233 L325 F620 A632 I635 I654 T656	P232-Y658 HydrophobicContact CB-CE1 4.37Å; L233-Y658 HydrophobicContact CB-CE1 4.37Å; L233-Y658 WeakPolarHBondContact CB-OH 3.34Å; L233-Y658 PolarHBondContact N-OH 3.41Å; L325-Y658 HydrophobicContact CD2-CE2 4.35Å; F620-Y658 HydrophobicContact CE1-CD1 4.41Å; F620-Y658 AromaticContact CE1-CE1 3.99Å; F620-Y658 HydrophobicContact CE1-CE1 3.99Å; F620-Y658 HydrophobicContact CZ-CD1 4.07Å; F620-Y658 HydrophobicContact CZ-CE1 4.08Å; A632-Y658 VanDerWaalsContact CB-O 3.26Å; A632-Y658 WeakPolarHBondContact CB-O 3.41Å; I635-Y658 HydrophobicContact CD1-CD1 3.82Å; I635-Y658 HydrophobicContact CD1-CD2 4.33Å; I635-Y658 HydrophobicContact CD1-CE1 3.99Å; I635-Y658 HydrophobicContact CD1-CE2 4.48Å; I635-Y658 HydrophobicContact CD1-CG 4Å; I635-Y658 HydrophobicContact CG2-CD2 3.77Å; I635-Y658 HydrophobicContact CG2-CE2 4.06Å; I635-Y658 HydrophobicContact CG2-CG 4.3Å; I654-Y658 HydrophobicContact CD1-CE2 4.07Å; I654-Y658 HydrophobicContact CG2-CD2 3.83Å; I654-Y658 HydrophobicContact CG2-CE2 4.18Å; I654-Y658 WeakPolarHBondContact O-CD2 3.45Å; I654-Y658 PolarHBondContact O-N 2.95Å; T656-Y658 PolarHBondContact O-N 3.1Å
659	L	86.1	Confident	84.2	Confident	66 Å²	66	62.1 Å²	62.1	35%	0.346	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-40.8	-179.8	-74.3	170.9	0	0	0	112.8	A632 M636 K655 P661	A632-L659 HydrophobicContact CB-CD2 3.55Å; A632-L659 HydrophobicContact CB-CG 3.94Å; M636-L659 HydrophobicContact CG-CD1 3.58Å; M636-L659 HydrophobicContact CG-CG 4.33Å; M636-L659 HydrophobicContact SD-CD1 4.5Å; K655-L659 HydrophobicContact CG-CD1 4.31Å; K655-L659 WeakPolarHBondContact O-CB 3.41Å; K655-L659 PolarHBondContact O-N 3.14Å; L659-P661 WeakPolarHBondContact O-CD 3.22Å
660	N	83.5	Confident	84.6	Confident	105 Å²	105	58 Å²	58	56%	0.561	31%	0.305	S	S	*	.	S	Bend	trans	-120.7	55.7	-177.1	-64.3	5.9	0	0	0	111.7	K655 T656 I662	K655-N660 PolarHBondContact O-N 3.12Å; K655-N660 VanDerWaalsContact O-N 3.12Å; T656-N660 CarbonylContact O-C 3.4Å; N660-I662 PolarHBondContact O-N 3.03Å; N660-I662 VanDerWaalsContact O-N 3.13Å
661	P	82	Confident	84.8	Confident	78 Å²	78	55.9 Å²	55.9	51%	0.506	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-61.4	117.7	-175.8	26.8	-35	0	0	0	110.6	T656 L659 T663	T656-P661 VanDerWaalsContact O-CA 3.25Å; T656-P661 WeakPolarHBondContact O-CA 3.27Å; T656-P661 VanDerWaalsContact O-N 3.16Å; L659-P661 WeakPolarHBondContact O-CD 3.22Å; P661-T663 PolarHBondContact O-N 2.94Å
662	I	79.4	Confident	84.9	Confident	74 Å²	74	55.6 Å²	55.6	38%	0.379	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-62	125.8	176.5	-58.2	173.4	0	0	0	108.4	I599 T656 N660 D666 I667	I599-I662 HydrophobicContact CD1-CG2 4.4Å; I599-I662 WeakPolarHBondContact CD1-O 3.41Å; T656-I662 HydrophobicContact CG2-CD1 3.85Å; T656-I662 HydrophobicContact CG2-CG1 3.89Å; N660-I662 PolarHBondContact O-N 3.03Å; N660-I662 VanDerWaalsContact O-N 3.13Å; I662-D666 HydrophobicContact CG2-CB 4.1Å; I662-I667 HydrophobicContact CG2-CD1 3.86Å; I662-I667 HydrophobicContact CG2-CG1 3.47Å; I662-I667 VanDerWaalsContact CG2-CG1 3.47Å
663	T	82.9	Confident	85.1	Confident	65 Å²	65	56.5 Å²	56.5	40%	0.399	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-89.8	169.4	177.6	68.9	0	0	0	0	112.3	P661 D665 D666 I667	P661-T663 PolarHBondContact O-N 2.94Å; T663-D665 VanDerWaalsContact C-N 3.27Å; T663-D665 PolarHBondContact O-N 2.89Å; T663-D665 PolarHBondContact OG1-N 3.06Å; T663-D666 VanDerWaalsContact CB-OD2 3.32Å; T663-D666 WeakPolarHBondContact CB-OD2 3.49Å; T663-D666 WeakPolarHBondContact CG2-OD2 3.26Å; T663-D666 PolarHBondContact N-OD2 3.33Å; T663-D666 PolarHBondContact OG1-N 3.34Å; T663-D666 PolarHBondContact OG1-OD2 2.8Å; T663-I667 PolarHBondContact O-N 3.36Å
664	E	82.2	Confident	85.2	Confident	34 Å²	34	53.4 Å²	53.4	16%	0.159	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-38.9	169.8	173.6	158.5	172.3	0	0	111.7	L596 I599 R600 I667 Y668	L596-E664 HydrophobicContact CD1-CG 3.68Å; I599-E664 HydrophobicContact CG2-CB 4.31Å; R600-E664 VanDerWaalsContact CG-OE2 3.27Å; R600-E664 WeakPolarHBondContact CG-OE2 3.33Å; R600-E664 IonicContact CZ-OE1 3.91Å; R600-E664 VanDerWaalsContact NE-CD 3.34Å; R600-E664 IonicContact NE-OE1 3.79Å; R600-E664 PolarHBondContact NE-OE1 2.79Å; R600-E664 IonicContact NE-OE2 2.62Å; R600-E664 PolarHBondContact NE-OE2 3.12Å; R600-E664 IonicContact NH2-OE1 2.68Å; R600-E664 PolarHBondContact NH2-OE1 3.05Å; E664-I667 PolarHBondContact O-N 2.89Å; E664-Y668 WeakPolarHBondContact O-CB 3.43Å; E664-Y668 PolarHBondContact O-N 3.39Å
665	D	83.5	Confident	85	Confident	63 Å²	63	53.4 Å²	53.4	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-44.5	179.3	-65.3	-25.1	0	0	0	111	T663 I667 Y668 D669	T663-D665 VanDerWaalsContact C-N 3.27Å; T663-D665 PolarHBondContact O-N 2.89Å; T663-D665 PolarHBondContact OG1-N 3.06Å; D665-I667 VanDerWaalsContact C-N 3.3Å; D665-I667 PolarHBondContact O-N 3.46Å; D665-Y668 PolarHBondContact O-N 3.47Å; D665-Y668 VanDerWaalsContact O-N 3.13Å; D665-D669 VanDerWaalsContact O-CB 3.32Å; D665-D669 WeakPolarHBondContact O-CB 3.26Å; D665-D669 PolarHBondContact O-N 3.24Å
666	D	85.3	Confident	85	Confident	90 Å²	90	54 Å²	54	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-55.4	-43.9	176.3	-67.3	-60	0	0	0	112.4	I662 T663 D669 E670	I662-D666 HydrophobicContact CG2-CB 4.1Å; T663-D666 VanDerWaalsContact CB-OD2 3.32Å; T663-D666 WeakPolarHBondContact CB-OD2 3.49Å; T663-D666 WeakPolarHBondContact CG2-OD2 3.26Å; T663-D666 PolarHBondContact N-OD2 3.33Å; T663-D666 PolarHBondContact OG1-N 3.34Å; T663-D666 PolarHBondContact OG1-OD2 2.8Å; D666-D669 PolarHBondContact O-N 3.45Å; D666-E670 PolarHBondContact O-N 3.23Å
667	I	83.4	Confident	84.9	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-69.5	-41.2	178.5	-62.6	178.1	0	0	0	110.8	L592 Q595 L596 I599 I662 T663 E664 D665 D669 E670 L671	L592-I667 HydrophobicContact CB-CG2 4.05Å; L592-I667 HydrophobicContact CD2-CG2 4.19Å; Q595-I667 HydrophobicContact CB-CD1 3.61Å; L596-I667 HydrophobicContact CB-CG2 3.94Å; I599-I667 HydrophobicContact CD1-CD1 3.49Å; I599-I667 VanDerWaalsContact CD1-CD1 3.49Å; I599-I667 HydrophobicContact CD1-CG1 4.48Å; I599-I667 HydrophobicContact CG1-CD1 4.26Å; I662-I667 HydrophobicContact CG2-CD1 3.86Å; I662-I667 HydrophobicContact CG2-CG1 3.47Å; I662-I667 VanDerWaalsContact CG2-CG1 3.47Å; T663-I667 PolarHBondContact O-N 3.36Å; E664-I667 PolarHBondContact O-N 2.89Å; D665-I667 VanDerWaalsContact C-N 3.3Å; D665-I667 PolarHBondContact O-N 3.46Å; I667-D669 VanDerWaalsContact C-N 3.29Å; I667-D669 PolarHBondContact O-N 3.08Å; I667-E670 PolarHBondContact O-N 3.38Å; I667-L671 HydrophobicContact CG2-CD1 3.83Å; I667-L671 HydrophobicContact CG2-CG 4.23Å; I667-L671 VanDerWaalsContact O-CB 3.29Å; I667-L671 WeakPolarHBondContact O-CB 3.37Å; I667-L671 VanDerWaalsContact O-CG 3.27Å; I667-L671 WeakPolarHBondContact O-CG 3.43Å; I667-L671 PolarHBondContact O-N 3.26Å
668	Y	83.2	Confident	84.8	Confident	53 Å²	53	53.2 Å²	53.2	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-38.1	177.9	-172	-102.3	0	0	0	111.6	E664 D665 L671 S672 L691 W695	E664-Y668 WeakPolarHBondContact O-CB 3.43Å; E664-Y668 PolarHBondContact O-N 3.39Å; D665-Y668 PolarHBondContact O-N 3.47Å; D665-Y668 VanDerWaalsContact O-N 3.13Å; Y668-L671 PolarHBondContact O-N 3.32Å; Y668-S672 VanDerWaalsContact O-CB 3.26Å; Y668-S672 WeakPolarHBondContact O-CB 3.31Å; Y668-S672 PolarHBondContact O-N 3.4Å; Y668-L691 HydrophobicContact CD2-CD2 4.4Å; Y668-L691 HydrophobicContact CE2-CB 4.18Å; Y668-L691 HydrophobicContact CE2-CD2 3.84Å; Y668-L691 HydrophobicContact CE2-CG 4.49Å; Y668-W695 HydrophobicContact CD1-CZ3 4.49Å; Y668-W695 AromaticContact CD2-CE3 3.69Å; Y668-W695 HydrophobicContact CD2-CE3 3.69Å; Y668-W695 AromaticContact CD2-CZ3 3.69Å; Y668-W695 HydrophobicContact CD2-CZ3 3.69Å; Y668-W695 AromaticContact CE2-CE3 3.51Å; Y668-W695 HydrophobicContact CE2-CE3 3.51Å; Y668-W695 AromaticContact CE2-CZ3 3.83Å; Y668-W695 HydrophobicContact CE2-CZ3 3.83Å; Y668-W695 HydrophobicContact CG-CE3 4.47Å; Y668-W695 HydrophobicContact CG-CZ3 4.03Å
669	D	86.4	Confident	84.4	Confident	86 Å²	86	54 Å²	54	46%	0.46	28%	0.277	S	S	.	.	H	α-helix	trans	-70.2	-39.8	179.4	-141.2	46.6	0	0	0	111.7	D665 D666 I667 S672 K673	D665-D669 VanDerWaalsContact O-CB 3.32Å; D665-D669 WeakPolarHBondContact O-CB 3.26Å; D665-D669 PolarHBondContact O-N 3.24Å; D666-D669 PolarHBondContact O-N 3.45Å; I667-D669 VanDerWaalsContact C-N 3.29Å; I667-D669 PolarHBondContact O-N 3.08Å; D669-S672 WeakPolarHBondContact O-CB 3.3Å; D669-S672 PolarHBondContact O-N 2.83Å; D669-K673 VanDerWaalsContact O-CD 3.31Å; D669-K673 WeakPolarHBondContact O-CD 3.06Å; D669-K673 VanDerWaalsContact O-CE 3.31Å; D669-K673 WeakPolarHBondContact O-CE 3.42Å; D669-K673 VanDerWaalsContact O-CG 3.23Å; D669-K673 WeakPolarHBondContact O-CG 3.21Å; D669-K673 PolarHBondContact O-N 3.15Å; D669-K673 VanDerWaalsContact OD2-CE 3.3Å; D669-K673 WeakPolarHBondContact OD2-CE 3.47Å; D669-K673 IonicContact OD2-NZ 2.75Å; D669-K673 PolarHBondContact OD2-NZ 3.42Å
670	E	86.8	Confident	84.1	Confident	54 Å²	54	59.4 Å²	59.4	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-70	-39.7	171.8	-174.2	65.4	-178.5	0	0	112.6	K588 L592 D666 I667 S672 K673 L674	K588-E670 WeakPolarHBondContact CE-OE1 3.33Å; K588-E670 IonicContact NZ-OE1 2.7Å; K588-E670 PolarHBondContact NZ-OE1 3.28Å; L592-E670 HydrophobicContact CD1-CB 4.12Å; L592-E670 HydrophobicContact CD1-CG 3.55Å; D666-E670 PolarHBondContact O-N 3.23Å; I667-E670 PolarHBondContact O-N 3.38Å; E670-S672 VanDerWaalsContact C-N 3.3Å; E670-S672 PolarHBondContact O-N 3.24Å; E670-K673 PolarHBondContact O-N 3.06Å; E670-L674 HydrophobicContact CG-CD1 4.01Å; E670-L674 HydrophobicContact CG-CG 4.38Å; E670-L674 VanDerWaalsContact O-CG 3.27Å; E670-L674 WeakPolarHBondContact O-CG 3.4Å; E670-L674 PolarHBondContact O-N 3.23Å
671	L	86.6	Confident	83.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-42.6	170.3	-79.6	168.9	0	0	0	111.3	I589 L592 K593 L596 I667 Y668 L674 I675 L691 V694	I589-L671 HydrophobicContact CG2-CD2 4.17Å; L592-L671 HydrophobicContact CB-CD1 4.45Å; L592-L671 HydrophobicContact CB-CD2 3.66Å; L592-L671 HydrophobicContact CB-CG 3.86Å; L592-L671 HydrophobicContact CD1-CD2 4.3Å; L592-L671 HydrophobicContact CD1-CG 4.34Å; K593-L671 HydrophobicContact CG-CD2 4.35Å; L596-L671 HydrophobicContact CD2-CD1 4.18Å; I667-L671 HydrophobicContact CG2-CD1 3.83Å; I667-L671 HydrophobicContact CG2-CG 4.23Å; I667-L671 VanDerWaalsContact O-CB 3.29Å; I667-L671 WeakPolarHBondContact O-CB 3.37Å; I667-L671 VanDerWaalsContact O-CG 3.27Å; I667-L671 WeakPolarHBondContact O-CG 3.43Å; I667-L671 PolarHBondContact O-N 3.26Å; Y668-L671 PolarHBondContact O-N 3.32Å; L671-L674 PolarHBondContact O-N 3.43Å; L671-I675 HydrophobicContact CB-CD1 4.49Å; L671-I675 VanDerWaalsContact O-CB 3.27Å; L671-I675 WeakPolarHBondContact O-CB 3.32Å; L671-I675 VanDerWaalsContact O-CG1 3.26Å; L671-I675 WeakPolarHBondContact O-CG1 3.29Å; L671-I675 PolarHBondContact O-N 2.93Å; L671-L691 HydrophobicContact CB-CD2 4.33Å; L671-V694 HydrophobicContact CD1-CG1 4.13Å
672	S	86.4	Confident	83.3	Confident	13 Å²	13	57.8 Å²	57.8	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-45.1	176.1	-168.6	0	0	0	0	111.3	Y668 D669 E670 K676	Y668-S672 VanDerWaalsContact O-CB 3.26Å; Y668-S672 WeakPolarHBondContact O-CB 3.31Å; Y668-S672 PolarHBondContact O-N 3.4Å; D669-S672 WeakPolarHBondContact O-CB 3.3Å; D669-S672 PolarHBondContact O-N 2.83Å; E670-S672 VanDerWaalsContact C-N 3.3Å; E670-S672 PolarHBondContact O-N 3.24Å; S672-K676 VanDerWaalsContact O-CB 3.3Å; S672-K676 WeakPolarHBondContact O-CB 3.35Å; S672-K676 VanDerWaalsContact O-CD 3.26Å; S672-K676 WeakPolarHBondContact O-CD 3.23Å; S672-K676 WeakPolarHBondContact O-CG 3.42Å; S672-K676 PolarHBondContact O-N 3.28Å; S672-K676 VanDerWaalsContact O-N 3.11Å; S672-K676 PolarHBondContact OG-NZ 2.81Å
673	K	88.4	Confident	82.8	Confident	108 Å²	108	59.9 Å²	59.9	47%	0.47	30%	0.299	S	S	.	.	H	α-helix	trans	-62.7	-46.3	175.8	-68	156	-156.6	155.4	0	111.9	D669 E670 K676 K677	D669-K673 VanDerWaalsContact O-CD 3.31Å; D669-K673 WeakPolarHBondContact O-CD 3.06Å; D669-K673 VanDerWaalsContact O-CE 3.31Å; D669-K673 WeakPolarHBondContact O-CE 3.42Å; D669-K673 VanDerWaalsContact O-CG 3.23Å; D669-K673 WeakPolarHBondContact O-CG 3.21Å; D669-K673 PolarHBondContact O-N 3.15Å; D669-K673 VanDerWaalsContact OD2-CE 3.3Å; D669-K673 WeakPolarHBondContact OD2-CE 3.47Å; D669-K673 IonicContact OD2-NZ 2.75Å; D669-K673 PolarHBondContact OD2-NZ 3.42Å; E670-K673 PolarHBondContact O-N 3.06Å; K673-K676 PolarHBondContact O-N 3.37Å; K673-K677 PolarHBondContact O-N 2.96Å; K673-K677 VanDerWaalsContact O-N 3.08Å
674	L	87.1	Confident	82.2	Confident	16 Å²	16	60.8 Å²	60.8	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-74.6	-38.6	-176.5	-63	171.6	0	0	0	113.1	L585 K588 I589 L592 E670 L671 K676 K677 E678	L585-L674 HydrophobicContact CD1-CB 4.26Å; L585-L674 HydrophobicContact CD1-CD2 3.65Å; L585-L674 HydrophobicContact CD1-CG 4.5Å; K588-L674 HydrophobicContact CB-CD1 4.29Å; K588-L674 HydrophobicContact CD-CD1 3.56Å; K588-L674 HydrophobicContact CD-CD2 3.99Å; K588-L674 HydrophobicContact CD-CG 4.44Å; K588-L674 HydrophobicContact CG-CD1 3.73Å; I589-L674 HydrophobicContact CD1-CB 4.08Å; I589-L674 HydrophobicContact CG1-CB 3.7Å; I589-L674 HydrophobicContact CG1-CD1 4.31Å; L592-L674 HydrophobicContact CD1-CD1 3.41Å; L592-L674 VanDerWaalsContact CD1-CD1 3.41Å; E670-L674 HydrophobicContact CG-CD1 4.01Å; E670-L674 HydrophobicContact CG-CG 4.38Å; E670-L674 VanDerWaalsContact O-CG 3.27Å; E670-L674 WeakPolarHBondContact O-CG 3.4Å; E670-L674 PolarHBondContact O-N 3.23Å; L671-L674 PolarHBondContact O-N 3.43Å; L674-K676 VanDerWaalsContact C-N 3.3Å; L674-K676 PolarHBondContact O-N 3.09Å; L674-K677 CarbonylContact O-C 3.45Å; L674-K677 WeakPolarHBondContact O-CA 3.21Å; L674-K677 WeakPolarHBondContact O-CB 3.44Å; L674-K677 PolarHBondContact O-N 2.88Å; L674-E678 PolarHBondContact O-N 2.74Å
675	I	84.9	Confident	81.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-35.3	174.6	-69	167.9	0	0	0	110.4	I589 L671 K677 E678 S679 I685 V687 Y690 L691	I589-I675 HydrophobicContact CD1-CG1 4.08Å; I589-I675 HydrophobicContact CG1-CG1 4.47Å; I589-I675 HydrophobicContact CG2-CG1 4.47Å; L671-I675 HydrophobicContact CB-CD1 4.49Å; L671-I675 VanDerWaalsContact O-CB 3.27Å; L671-I675 WeakPolarHBondContact O-CB 3.32Å; L671-I675 VanDerWaalsContact O-CG1 3.26Å; L671-I675 WeakPolarHBondContact O-CG1 3.29Å; L671-I675 PolarHBondContact O-N 2.93Å; I675-K677 VanDerWaalsContact C-N 3.3Å; I675-K677 PolarHBondContact O-N 3.49Å; I675-E678 PolarHBondContact O-N 2.9Å; I675-S679 PolarHBondContact O-N 3.01Å; I675-S679 PolarHBondContact O-OG 3.22Å; I675-I685 HydrophobicContact CG2-CG2 4.36Å; I675-V687 HydrophobicContact CG2-CB 4.37Å; I675-V687 HydrophobicContact CG2-CG1 4.08Å; I675-V687 HydrophobicContact CG2-CG2 4.26Å; I675-Y690 HydrophobicContact CB-CD1 4.41Å; I675-Y690 HydrophobicContact CD1-CD1 3.99Å; I675-Y690 HydrophobicContact CD1-CD2 4.47Å; I675-Y690 HydrophobicContact CD1-CE1 4.21Å; I675-Y690 HydrophobicContact CD1-CG 4.12Å; I675-Y690 HydrophobicContact CG1-CD1 3.96Å; I675-Y690 HydrophobicContact CG1-CE1 3.96Å; I675-Y690 HydrophobicContact CG2-CD1 3.57Å; I675-Y690 HydrophobicContact CG2-CE1 4.25Å; I675-Y690 HydrophobicContact CG2-CG 4.25Å; I675-L691 HydrophobicContact CD1-CD2 3.78Å; I675-L691 HydrophobicContact CD1-CG 4.26Å
676	K	86	Confident	81.2	Confident	108 Å²	108	61.9 Å²	61.9	47%	0.47	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-22.5	169.7	-72.6	166.6	-176	155.3	0	113.8	S672 K673 L674 S679 K680 V687	S672-K676 VanDerWaalsContact O-CB 3.3Å; S672-K676 WeakPolarHBondContact O-CB 3.35Å; S672-K676 VanDerWaalsContact O-CD 3.26Å; S672-K676 WeakPolarHBondContact O-CD 3.23Å; S672-K676 WeakPolarHBondContact O-CG 3.42Å; S672-K676 PolarHBondContact O-N 3.28Å; S672-K676 VanDerWaalsContact O-N 3.11Å; S672-K676 PolarHBondContact OG-NZ 2.81Å; K673-K676 PolarHBondContact O-N 3.37Å; L674-K676 VanDerWaalsContact C-N 3.3Å; L674-K676 PolarHBondContact O-N 3.09Å; K676-S679 PolarHBondContact O-OG 3.14Å; K676-K680 WeakPolarHBondContact O-CG 3.3Å; K676-V687 HydrophobicContact CG-CG1 3.93Å; K676-V687 HydrophobicContact CG-CG2 4.32Å
677	K	84.7	Confident	80.8	Confident	81 Å²	81	59 Å²	59	35%	0.352	31%	0.312	S	S	.	.	H	α-helix	trans	-79.8	-37.7	167.3	-172.3	172.3	178.8	177.8	0	110.9	E581 L585 K673 L674 I675 K680 L681	E581-K677 IonicContact OE1-NZ 3.88Å; E581-K677 PolarHBondContact OE1-NZ 3.36Å; E581-K677 WeakPolarHBondContact OE2-CE 3.39Å; E581-K677 IonicContact OE2-NZ 3.22Å; E581-K677 PolarHBondContact OE2-NZ 3.27Å; L585-K677 HydrophobicContact CD1-CB 4.41Å; L585-K677 HydrophobicContact CD1-CD 4.25Å; L585-K677 HydrophobicContact CD1-CG 4.47Å; L585-K677 HydrophobicContact CD2-CB 4.09Å; L585-K677 HydrophobicContact CD2-CG 4.03Å; K673-K677 PolarHBondContact O-N 2.96Å; K673-K677 VanDerWaalsContact O-N 3.08Å; L674-K677 CarbonylContact O-C 3.45Å; L674-K677 WeakPolarHBondContact O-CA 3.21Å; L674-K677 WeakPolarHBondContact O-CB 3.44Å; L674-K677 PolarHBondContact O-N 2.88Å; I675-K677 VanDerWaalsContact C-N 3.3Å; I675-K677 PolarHBondContact O-N 3.49Å; K677-K680 PolarHBondContact O-N 2.9Å; K677-L681 PolarHBondContact O-N 2.97Å
678	E	82.3	Confident	80.4	Confident	9 Å²	9	66.5 Å²	66.5	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-66.6	-40.7	179.4	-162.5	175.7	-159.2	0	0	111.3	L585 I589 L674 I675 K680 L681 K682 I685	L585-E678 HydrophobicContact CD2-CB 3.68Å; L585-E678 HydrophobicContact CD2-CG 4.18Å; I589-E678 HydrophobicContact CD1-CB 4.08Å; I589-E678 WeakPolarHBondContact CD1-OE2 3.23Å; L674-E678 PolarHBondContact O-N 2.74Å; I675-E678 PolarHBondContact O-N 2.9Å; E678-K680 PolarHBondContact O-N 3.05Å; E678-L681 PolarHBondContact O-N 2.78Å; E678-L681 VanDerWaalsContact O-N 3.13Å; E678-K682 HydrophobicContact CG-CD 4.02Å; E678-K682 WeakPolarHBondContact O-CB 3.17Å; E678-K682 PolarHBondContact O-N 2.81Å; E678-K682 IonicContact OE1-NZ 2.81Å; E678-K682 PolarHBondContact OE1-NZ 3.08Å; E678-I685 HydrophobicContact CB-CD1 4.25Å; E678-I685 HydrophobicContact CG-CD1 3.69Å
679	S	81.2	Confident	80	Confident	29 Å²	29	70.1 Å²	70.1	20%	0.203	37%	0.366	C	S	.	.	H	α-helix	trans	-66.7	-15.9	176.3	65.7	0	0	0	0	114.6	I675 K676 K682	I675-S679 PolarHBondContact O-N 3.01Å; I675-S679 PolarHBondContact O-OG 3.22Å; K676-S679 PolarHBondContact O-OG 3.14Å; S679-K682 CarbonylContact O-C 3.59Å
680	K	80.9	Confident	79.5	Confident	179 Å²	179	68.6 Å²	68.6	78%	0.778	35%	0.354	S	S	*	.	H	α-helix	trans	-83.1	-35.5	170.7	-70	-178.6	178	-167.6	0	112.8	K676 K677 E678	K676-K680 WeakPolarHBondContact O-CG 3.3Å; K677-K680 PolarHBondContact O-N 2.9Å; E678-K680 PolarHBondContact O-N 3.05Å
681	L	75	Confident	79	Confident	60 Å²	60	66.5 Å²	66.5	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-81.9	-25.1	175.7	-64.5	174.5	0	0	0	112.4	E581 L585 K677 E678	E581-L681 HydrophobicContact CG-CD1 4.24Å; L585-L681 HydrophobicContact CD2-CD1 4.08Å; K677-L681 PolarHBondContact O-N 2.97Å; E678-L681 PolarHBondContact O-N 2.78Å; E678-L681 VanDerWaalsContact O-N 3.13Å
682	K	73.1	Confident	78.4	Confident	89 Å²	89	69.3 Å²	69.3	39%	0.387	37%	0.368	S	S	.	.	S	Bend	trans	-131.1	80.8	-179.9	-61.3	177.9	-170	167.1	0	109	E678 S679 G684 I685	E678-K682 HydrophobicContact CG-CD 4.02Å; E678-K682 WeakPolarHBondContact O-CB 3.17Å; E678-K682 PolarHBondContact O-N 2.81Å; E678-K682 IonicContact OE1-NZ 2.81Å; E678-K682 PolarHBondContact OE1-NZ 3.08Å; S679-K682 CarbonylContact O-C 3.59Å; K682-G684 PolarHBondContact O-N 2.97Å; K682-I685 HydrophobicContact CB-CD1 3.82Å; K682-I685 HydrophobicContact CB-CG1 4.37Å; K682-I685 HydrophobicContact CD-CD1 4.22Å
683	P	68.6	Low	77.6	Confident	119 Å²	119	71.3 Å²	71.3	77%	0.773	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	139.1	174.5	23	-33	0	0	0	110.7
684	G	70.3	Confident	76.6	Confident	83 Å²	83	66.5 Å²	66.5	86%	0.856	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.5	-14.6	-174.3	0	0	0	0	0	114.9	K682 N686	K682-G684 PolarHBondContact O-N 2.97Å; G684-N686 PolarHBondContact O-N 2.93Å
685	I	67.6	Low	75.7	Confident	46 Å²	46	68.5 Å²	68.5	24%	0.236	37%	0.368	C	S	.	.			trans	-74	109	173.8	-63.1	175.8	0	0	0	110.5	I675 E678 K682 V687 Y690	I675-I685 HydrophobicContact CG2-CG2 4.36Å; E678-I685 HydrophobicContact CB-CD1 4.25Å; E678-I685 HydrophobicContact CG-CD1 3.69Å; K682-I685 HydrophobicContact CB-CD1 3.82Å; K682-I685 HydrophobicContact CB-CG1 4.37Å; K682-I685 HydrophobicContact CD-CD1 4.22Å; I685-V687 PolarHBondContact O-N 2.83Å; I685-Y690 HydrophobicContact CG2-CD1 3.71Å; I685-Y690 HydrophobicContact CG2-CE1 4.45Å
686	N	78.1	Confident	74.5	Confident	74 Å²	74	71.2 Å²	71.2	40%	0.396	39%	0.387	S	S	.	.			trans	-71.8	106.4	167.3	-175.9	-47.5	0	0	0	109.8	G684 E688 Q689 Y690	G684-N686 PolarHBondContact O-N 2.93Å; N686-E688 VanDerWaalsContact C-N 3.34Å; N686-E688 PolarHBondContact O-N 3.25Å; N686-E688 PolarHBondContact OD1-N 3.35Å; N686-E688 VanDerWaalsContact OD1-N 3.11Å; N686-Q689 HydrophobicContact CB-CB 4.1Å; N686-Q689 HydrophobicContact CB-CG 4.23Å; N686-Q689 PolarHBondContact O-N 2.77Å; N686-Q689 PolarHBondContact OD1-N 3.38Å; N686-Y690 WeakPolarHBondContact O-CB 3.26Å; N686-Y690 PolarHBondContact O-N 2.89Å
687	V	76.1	Confident	72.9	Confident	30 Å²	30	72.4 Å²	72.4	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-59.3	-40.7	-175.6	176.1	0	0	0	0	112.3	I675 K676 I685 Y690 L691	I675-V687 HydrophobicContact CG2-CB 4.37Å; I675-V687 HydrophobicContact CG2-CG1 4.08Å; I675-V687 HydrophobicContact CG2-CG2 4.26Å; K676-V687 HydrophobicContact CG-CG1 3.93Å; K676-V687 HydrophobicContact CG-CG2 4.32Å; I685-V687 PolarHBondContact O-N 2.83Å; V687-Y690 PolarHBondContact O-N 3.16Å; V687-L691 HydrophobicContact CG1-CD1 3.9Å; V687-L691 WeakPolarHBondContact O-CB 3.35Å; V687-L691 WeakPolarHBondContact O-CG 3.2Å; V687-L691 PolarHBondContact O-N 3.46Å
688	E	74.5	Confident	71.1	Confident	159 Å²	159	69 Å²	69	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-70	-44.7	-178.5	-62.1	-171.8	161.3	0	0	111.7	N686 Y690 L691 A692	N686-E688 VanDerWaalsContact C-N 3.34Å; N686-E688 PolarHBondContact O-N 3.25Å; N686-E688 PolarHBondContact OD1-N 3.35Å; N686-E688 VanDerWaalsContact OD1-N 3.11Å; E688-Y690 VanDerWaalsContact C-N 3.32Å; E688-Y690 PolarHBondContact O-N 3.45Å; E688-L691 PolarHBondContact O-N 2.95Å; E688-A692 VanDerWaalsContact O-CB 3.24Å; E688-A692 WeakPolarHBondContact O-CB 3.45Å; E688-A692 PolarHBondContact O-N 2.83Å
689	Q	74.5	Confident	69	Low	129 Å²	129	72.6 Å²	72.6	60%	0.603	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-36.9	176.1	-68.9	178.5	-7.3	0	0	111.8	N686 S693	N686-Q689 HydrophobicContact CB-CB 4.1Å; N686-Q689 HydrophobicContact CB-CG 4.23Å; N686-Q689 PolarHBondContact O-N 2.77Å; N686-Q689 PolarHBondContact OD1-N 3.38Å; Q689-S693 WeakPolarHBondContact O-CB 3.28Å; Q689-S693 PolarHBondContact O-N 2.89Å; Q689-S693 PolarHBondContact O-OG 2.96Å
690	Y	76.8	Confident	66.9	Low	54 Å²	54	73.2 Å²	73.2	21%	0.212	40%	0.404	C	S	.	.	H	α-helix	trans	-69	-45.9	176.4	-164.5	-177.7	0	0	0	111.2	K593 I675 I685 N686 V687 E688 A692 S693 V694	K593-Y690 PolarHBondContact NZ-OH 3.22Å; I675-Y690 HydrophobicContact CB-CD1 4.41Å; I675-Y690 HydrophobicContact CD1-CD1 3.99Å; I675-Y690 HydrophobicContact CD1-CD2 4.47Å; I675-Y690 HydrophobicContact CD1-CE1 4.21Å; I675-Y690 HydrophobicContact CD1-CG 4.12Å; I675-Y690 HydrophobicContact CG1-CD1 3.96Å; I675-Y690 HydrophobicContact CG1-CE1 3.96Å; I675-Y690 HydrophobicContact CG2-CD1 3.57Å; I675-Y690 HydrophobicContact CG2-CE1 4.25Å; I675-Y690 HydrophobicContact CG2-CG 4.25Å; I685-Y690 HydrophobicContact CG2-CD1 3.71Å; I685-Y690 HydrophobicContact CG2-CE1 4.45Å; N686-Y690 WeakPolarHBondContact O-CB 3.26Å; N686-Y690 PolarHBondContact O-N 2.89Å; V687-Y690 PolarHBondContact O-N 3.16Å; E688-Y690 VanDerWaalsContact C-N 3.32Å; E688-Y690 PolarHBondContact O-N 3.45Å; Y690-A692 VanDerWaalsContact C-N 3.33Å; Y690-A692 PolarHBondContact O-N 2.77Å; Y690-S693 WeakPolarHBondContact CA-OG 3.38Å; Y690-S693 PolarHBondContact O-N 2.87Å; Y690-S693 PolarHBondContact O-OG 3.42Å; Y690-V694 HydrophobicContact CD2-CG2 4.12Å; Y690-V694 HydrophobicContact CE2-CG2 4.16Å; Y690-V694 WeakPolarHBondContact O-CG2 3.3Å; Y690-V694 PolarHBondContact O-N 2.72Å
691	L	76.3	Confident	64.7	Low	11 Å²	11	69.3 Å²	69.3	6%	0.058	39%	0.392	C	S	.	.	H	α-helix	trans	-62	-38.6	174.1	-73.7	170.6	0	0	0	112.5	Y668 L671 I675 V687 E688 W695	Y668-L691 HydrophobicContact CD2-CD2 4.4Å; Y668-L691 HydrophobicContact CE2-CB 4.18Å; Y668-L691 HydrophobicContact CE2-CD2 3.84Å; Y668-L691 HydrophobicContact CE2-CG 4.49Å; L671-L691 HydrophobicContact CB-CD2 4.33Å; I675-L691 HydrophobicContact CD1-CD2 3.78Å; I675-L691 HydrophobicContact CD1-CG 4.26Å; V687-L691 HydrophobicContact CG1-CD1 3.9Å; V687-L691 WeakPolarHBondContact O-CB 3.35Å; V687-L691 WeakPolarHBondContact O-CG 3.2Å; V687-L691 PolarHBondContact O-N 3.46Å; E688-L691 PolarHBondContact O-N 2.95Å; L691-W695 WeakPolarHBondContact O-CB 3.22Å; L691-W695 PolarHBondContact O-N 3.22Å
692	A	73	Confident	63.1	Low	59 Å²	59	67.9 Å²	67.9	49%	0.488	38%	0.382	S	S	.	.	H	α-helix	trans	-68.2	-39.4	176.5	0	0	0	0	0	112.9	E688 Y690 W695 S696	E688-A692 VanDerWaalsContact O-CB 3.24Å; E688-A692 WeakPolarHBondContact O-CB 3.45Å; E688-A692 PolarHBondContact O-N 2.83Å; Y690-A692 VanDerWaalsContact C-N 3.33Å; Y690-A692 PolarHBondContact O-N 2.77Å; A692-W695 WeakPolarHBondContact O-CB 3.37Å; A692-W695 PolarHBondContact O-N 3.43Å; A692-S696 WeakPolarHBondContact O-CB 3.34Å; A692-S696 PolarHBondContact O-N 3.03Å
693	S	69.7	Low	61.2	Low	55 Å²	55	68.1 Å²	68.1	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-68.7	-36.8	175.6	59.1	0	0	0	0	112.3	Q689 Y690 S696 H697	Q689-S693 WeakPolarHBondContact O-CB 3.28Å; Q689-S693 PolarHBondContact O-N 2.89Å; Q689-S693 PolarHBondContact O-OG 2.96Å; Y690-S693 WeakPolarHBondContact CA-OG 3.38Å; Y690-S693 PolarHBondContact O-N 2.87Å; Y690-S693 PolarHBondContact O-OG 3.42Å; S693-S696 PolarHBondContact O-N 2.83Å; S693-H697 WeakPolarHBondContact O-CB 3.35Å; S693-H697 PolarHBondContact O-N 3.12Å
694	V	69	Low	59.3	Low	7 Å²	7	65.5 Å²	65.5	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-45.9	168.4	171.9	0	0	0	0	110.9	K593 L596 L671 Y690 S696 H697 C698	K593-V694 HydrophobicContact CD-CG2 4.15Å; K593-V694 HydrophobicContact CG-CG1 4.19Å; K593-V694 HydrophobicContact CG-CG2 4.14Å; L596-V694 HydrophobicContact CD2-CG1 3.79Å; L671-V694 HydrophobicContact CD1-CG1 4.13Å; Y690-V694 HydrophobicContact CD2-CG2 4.12Å; Y690-V694 HydrophobicContact CE2-CG2 4.16Å; Y690-V694 WeakPolarHBondContact O-CG2 3.3Å; Y690-V694 PolarHBondContact O-N 2.72Å; V694-S696 VanDerWaalsContact C-N 3.28Å; V694-S696 PolarHBondContact O-N 2.85Å; V694-H697 PolarHBondContact O-N 3.27Å; V694-C698 PolarHBondContact O-N 2.88Å
695	W	66.9	Low	57.4	Low	58 Å²	58	63.6 Å²	63.6	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-40.1	177.7	-162.9	-80.6	0	0	0	112.3	R600 Y668 L691 A692 V699 L962	R600-W695 PolarHBondContact NH1-O 3.44Å; R600-W695 VanDerWaalsContact NH2-CD2 3.26Å; Y668-W695 HydrophobicContact CD1-CZ3 4.49Å; Y668-W695 AromaticContact CD2-CE3 3.69Å; Y668-W695 HydrophobicContact CD2-CE3 3.69Å; Y668-W695 AromaticContact CD2-CZ3 3.69Å; Y668-W695 HydrophobicContact CD2-CZ3 3.69Å; Y668-W695 AromaticContact CE2-CE3 3.51Å; Y668-W695 HydrophobicContact CE2-CE3 3.51Å; Y668-W695 AromaticContact CE2-CZ3 3.83Å; Y668-W695 HydrophobicContact CE2-CZ3 3.83Å; Y668-W695 HydrophobicContact CG-CE3 4.47Å; Y668-W695 HydrophobicContact CG-CZ3 4.03Å; L691-W695 WeakPolarHBondContact O-CB 3.22Å; L691-W695 PolarHBondContact O-N 3.22Å; A692-W695 WeakPolarHBondContact O-CB 3.37Å; A692-W695 PolarHBondContact O-N 3.43Å; W695-V699 WeakPolarHBondContact O-CG2 3.46Å; W695-L962 HydrophobicContact CZ2-CD1 3.76Å; W695-L962 HydrophobicContact CZ2-CD2 3.9Å; W695-L962 HydrophobicContact CZ2-CG 4.49Å
696	S	59.3	Low	55.8	Low	56 Å²	56	64 Å²	64	39%	0.392	35%	0.346	S	S	.	.	H	α-helix	trans	-70.9	-47.1	176.8	176.4	0	0	0	0	112.9	A692 S693 V694 C698 V699	A692-S696 WeakPolarHBondContact O-CB 3.34Å; A692-S696 PolarHBondContact O-N 3.03Å; S693-S696 PolarHBondContact O-N 2.83Å; V694-S696 VanDerWaalsContact C-N 3.28Å; V694-S696 PolarHBondContact O-N 2.85Å; S696-C698 PolarHBondContact O-N 3.17Å; S696-V699 PolarHBondContact O-N 2.93Å
697	H	52.9	Low	53.5	Low	133 Å²	133	64.9 Å²	64.9	62%	0.616	35%	0.35	S	S	*	.	H	α-helix	trans	-66.9	-19.2	-177.9	-85.8	20	0	0	0	114.4	S693 V694	S693-H697 WeakPolarHBondContact O-CB 3.35Å; S693-H697 PolarHBondContact O-N 3.12Å; V694-H697 PolarHBondContact O-N 3.27Å
698	C	46.4	Very low	51.3	Low	10 Å²	10	67.9 Å²	67.9	7%	0.068	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	11.2	176.7	-63	0	0	0	0	114	L596 R600 V694 S696	L596-C698 HydrophobicContact CD2-CB 4.2Å; L596-C698 HydrophobicContact CG-CB 4.19Å; R600-C698 WeakPolarHBondContact CD-O 3.47Å; R600-C698 VanDerWaalsContact NH1-C 3.32Å; R600-C698 PolarHBondContact NH1-O 3.41Å; V694-C698 PolarHBondContact O-N 2.88Å; S696-C698 PolarHBondContact O-N 3.17Å
699	V	39	Very low	49.2	Very low	84 Å²	84	65.9 Å²	65.9	51%	0.509	36%	0.359	S	S	.	.	S	Bend	trans	-81.9	142.6	171.5	-175.3	0	0	0	0	110.5	W695 S696 N701	W695-V699 WeakPolarHBondContact O-CG2 3.46Å; S696-V699 PolarHBondContact O-N 2.93Å; V699-N701 PolarHBondContact O-N 2.88Å
700	D	37.3	Very low	46.9	Very low	43 Å²	43	63.1 Å²	63.1	23%	0.23	35%	0.354	C	S	.	.			trans	-79.6	100	-164.8	-142	-13.6	0	0	0	112.6	S604 R702	S604-D700 WeakPolarHBondContact CB-OD2 3.43Å; S604-D700 PolarHBondContact OG-OD2 2.66Å; D700-R702 PolarHBondContact O-N 2.55Å; D700-R702 WeakPolarHBondContact OD1-CG 3.41Å; D700-R702 IonicContact OD1-NE 2.6Å; D700-R702 PolarHBondContact OD1-NE 3.5Å; D700-R702 VanDerWaalsContact OD1-NE 3.15Å; D700-R702 IonicContact OD1-NH2 3.75Å; D700-R702 IonicContact OD2-CZ 2.79Å; D700-R702 IonicContact OD2-NE 2.77Å; D700-R702 PolarHBondContact OD2-NE 3.49Å; D700-R702 IonicContact OD2-NH2 2.68Å; D700-R702 PolarHBondContact OD2-NH2 2.78Å
701	N	34.5	Very low	44.5	Very low	97 Å²	97	65.4 Å²	65.4	52%	0.519	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-67.8	21	-179.5	-85.8	-41.7	0	0	0	115.3	V699 D703 T704 S705	V699-N701 PolarHBondContact O-N 2.88Å; N701-D703 PolarHBondContact O-N 2.98Å; N701-T704 WeakPolarHBondContact CA-OG1 3.25Å; N701-T704 VanDerWaalsContact CB-OG1 3.24Å; N701-T704 WeakPolarHBondContact CB-OG1 3.38Å; N701-T704 VanDerWaalsContact CG-OG1 3.25Å; N701-T704 PolarHBondContact O-N 3.37Å; N701-T704 VanDerWaalsContact O-N 3.07Å; N701-T704 PolarHBondContact O-OG1 2.96Å; N701-T704 VanDerWaalsContact O-OG1 3.06Å; N701-T704 PolarHBondContact OD1-OG1 2.93Å; N701-S705 PolarHBondContact O-N 3.39Å; N701-S705 VanDerWaalsContact O-N 3.13Å; N701-S705 PolarHBondContact O-OG 2.73Å
702	R	40.2	Very low	42.1	Very low	29 Å²	29	70.2 Å²	70.2	11%	0.109	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-63	-22.4	-175.9	-60.6	-171.6	-161.4	-174.6	18.1	114.6	Y429 Q601 S604 D700	Y429-R702 PolarHBondContact OH-NH1 3.06Å; Y429-R702 VanDerWaalsContact OH-NH1 3.16Å; Q601-R702 PolarHBondContact O-NH2 3.12Å; S604-R702 VanDerWaalsContact OG-CZ 3.23Å; S604-R702 PolarHBondContact OG-NH2 2.91Å; S604-R702 VanDerWaalsContact OG-NH2 3.14Å; D700-R702 PolarHBondContact O-N 2.55Å; D700-R702 WeakPolarHBondContact OD1-CG 3.41Å; D700-R702 IonicContact OD1-NE 2.6Å; D700-R702 PolarHBondContact OD1-NE 3.5Å; D700-R702 VanDerWaalsContact OD1-NE 3.15Å; D700-R702 IonicContact OD1-NH2 3.75Å; D700-R702 IonicContact OD2-CZ 2.79Å; D700-R702 IonicContact OD2-NE 2.77Å; D700-R702 PolarHBondContact OD2-NE 3.49Å; D700-R702 IonicContact OD2-NH2 2.68Å; D700-R702 PolarHBondContact OD2-NH2 2.78Å
703	D	34.6	Very low	39.7	Very low	95 Å²	95	72.8 Å²	72.8	51%	0.508	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-103.5	-0.8	178.1	-72.6	-15.7	0	0	0	112.1	K40 N701 N707	K40-D703 IonicContact NZ-OD2 3.42Å; K40-D703 PolarHBondContact NZ-OD2 2.99Å; N701-D703 PolarHBondContact O-N 2.98Å; D703-N707 PolarHBondContact O-ND2 3.26Å
704	T	27.4	Very low	37.8	Very low	63 Å²	63	77.5 Å²	77.5	39%	0.387	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-24.6	-179.2	56.5	0	0	0	0	114.6	N701	N701-T704 WeakPolarHBondContact CA-OG1 3.25Å; N701-T704 VanDerWaalsContact CB-OG1 3.24Å; N701-T704 WeakPolarHBondContact CB-OG1 3.38Å; N701-T704 VanDerWaalsContact CG-OG1 3.25Å; N701-T704 PolarHBondContact O-N 3.37Å; N701-T704 VanDerWaalsContact O-N 3.07Å; N701-T704 PolarHBondContact O-OG1 2.96Å; N701-T704 VanDerWaalsContact O-OG1 3.06Å; N701-T704 PolarHBondContact OD1-OG1 2.93Å
705	S	31.4	Very low	35.8	Very low	43 Å²	43	84.3 Å²	84.3	30%	0.301	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-64.8	-42.5	171.3	43.7	0	0	0	0	112.6	N701 N707 I708	N701-S705 PolarHBondContact O-N 3.39Å; N701-S705 VanDerWaalsContact O-N 3.13Å; N701-S705 PolarHBondContact O-OG 2.73Å; S705-N707 PolarHBondContact O-N 3.24Å; S705-I708 PolarHBondContact O-N 3.29Å
706	D	33.9	Very low	33.9	Very low	55 Å²	55	89.5 Å²	89.5	29%	0.294	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-79.6	11.9	-161.5	-61.6	17	0	0	0	113.2	R484 S486	R484-D706 IonicContact NH1-OD2 2.72Å; S486-D706 PolarHBondContact OG-OD2 2.94Å
707	N	29.6	Very low	32.5	Very low	92 Å²	92	93.2 Å²	93.2	49%	0.492	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-117	-1.6	-178.7	-74.1	-61.3	0	0	0	114.5	D703 S705	D703-N707 PolarHBondContact O-ND2 3.26Å; S705-N707 PolarHBondContact O-N 3.24Å
708	I	30	Very low	31.3	Very low	93 Å²	93	94.9 Å²	94.9	48%	0.477	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-37.1	-171.4	-65.6	179.6	0	0	0	113.3	S705 S710	S705-I708 PolarHBondContact O-N 3.29Å; I708-S710 PolarHBondContact O-N 2.94Å
709	D	29.4	Very low	30.5	Very low	117 Å²	117	101.5 Å²	101.5	63%	0.626	57%	0.572	S	S	*	*	S	Bend	trans	-83.8	44.4	-168.4	-62.5	-18.6	0	0	0	112.3	K493	K493-D709 IonicContact NZ-OD2 3.12Å; K493-D709 PolarHBondContact NZ-OD2 2.76Å
710	S	27.4	Very low	29.9	Very low	71 Å²	71	105.7 Å²	105.7	50%	0.497	59%	0.586	S	S	.	*	S	Bend	trans	-133.9	34.5	-175.5	71	0	0	0	0	116.2	I708	I708-S710 PolarHBondContact O-N 2.94Å
711	S	25.4	Very low	29.4	Very low	103 Å²	103	111.5 Å²	111.5	72%	0.72	62%	0.617	S	S	*	*	S	Bend	trans	-171.5	75.2	164.6	56.8	0	0	0	0	113.6
712	S	26.4	Very low	29	Very low	112 Å²	112	110.7 Å²	110.7	78%	0.783	63%	0.632	S	S	*	*			trans	-175.3	88.1	153.8	57.4	0	0	0	0	111.1
713	S	23.4	Very low	28.4	Very low	113 Å²	113	113.1 Å²	113.1	79%	0.79	67%	0.666	S	S	*	*			trans	-79.4	124.3	152.5	47.6	0	0	0	0	107.9
714	L	28.8	Very low	27.8	Very low	154 Å²	154	115.9 Å²	115.9	81%	0.806	68%	0.681	S	S	*	*			trans	-143.2	139.4	161.9	-75.4	177.9	0	0	0	106.3
715	E	28.1	Very low	27.8	Very low	149 Å²	149	122.2 Å²	122.2	70%	0.696	70%	0.703	S	S	*	*			trans	-71.4	148.4	-169.3	-67.9	77.4	-174.4	0	0	113.2	D717	E715-D717 PolarHBondContact O-N 2.77Å
716	D	25.9	Very low	27.5	Very low	167 Å²	167	125.4 Å²	125.4	89%	0.893	72%	0.72	S	S	*	*			trans	-89.3	85.7	163.2	-73.4	-51.7	0	0	0	108.1	D718	D716-D718 PolarHBondContact O-N 3.28Å
717	D	30.3	Very low	27.1	Very low	134 Å²	134	130.8 Å²	130.8	72%	0.717	74%	0.743	S	S	*	*			trans	-88.6	93.5	177.2	-86.1	-29.5	0	0	0	112	E715 I719	E715-D717 PolarHBondContact O-N 2.77Å; D717-I719 PolarHBondContact O-N 3.38Å
718	D	27	Very low	26.9	Very low	169 Å²	169	132.4 Å²	132.4	90%	0.904	75%	0.752	S	S	*	*			trans	-78.9	100.8	166.9	-90.3	-38.7	0	0	0	110.7	D716	D716-D718 PolarHBondContact O-N 3.28Å
719	I	30.1	Very low	26.6	Very low	148 Å²	148	132.4 Å²	132.4	76%	0.759	76%	0.76	S	S	*	*			trans	-124.7	109.4	170.4	-60.3	-177.2	0	0	0	111.5	D717	D717-I719 PolarHBondContact O-N 3.38Å
720	H	26.3	Very low	26.5	Very low	173 Å²	173	134.7 Å²	134.7	80%	0.801	77%	0.772	S	S	*	*			trans	-73.5	127.8	161.4	-83.3	-91.5	0	0	0	110.7
721	N	28.1	Very low	26.4	Very low	164 Å²	164	138.4 Å²	138.4	88%	0.877	79%	0.786	S	S	*	*				-176.1	163.5	114.4	-97.6	-43.5	0	0	0	113.2
722	G	25.4	Very low	26.4	Very low	81 Å²	81	141 Å²	141	84%	0.835	79%	0.787	S	S	*	*			trans	-85.5	169.3	-169.3	0	0	0	0	0	116
723	G	26.7	Very low	26.3	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	79%	0.785	S	S	*	*			trans	175.9	129.7	174.5	0	0	0	0	0	110
724	N	23.2	Very low	26.4	Very low	154 Å²	154	148 Å²	148	82%	0.824	79%	0.79	S	S	*	*			trans	-88.5	175.6	179.7	-88.2	-28.4	0	0	0	112.2
725	F	26.7	Very low	26.1	Very low	195 Å²	195	148.2 Å²	148.2	86%	0.855	79%	0.787	S	S	*	*			trans	90.3	137.7	169	-63	-90.5	0	0	0	117.7
726	V	24.9	Very low	25.9	Very low	110 Å²	110	150 Å²	150	67%	0.667	79%	0.793	S	S	*	*			cis	-179.9	143.1	-36	130.3	0	0	0	0	108.1
727	H	26.1	Very low	25.7	Very low	168 Å²	168	146.4 Å²	146.4	78%	0.778	78%	0.781	S	S	*	*			trans	60.3	142.5	176.7	-82.1	-74.4	0	0	0	115.7
728	N	25.5	Very low	25.3	Very low	127 Å²	127	150.9 Å²	150.9	68%	0.679	79%	0.789	S	S	*	*			cis	-152.3	146.2	25.7	-122.4	-24.7	0	0	0	113.6
729	S	24.5	Very low	25.2	Very low	92 Å²	92	149.5 Å²	149.5	64%	0.643	79%	0.787	S	S	*	*			trans	33.5	140.6	140.2	70	0	0	0	0	121.6
730	L	26.4	Very low	25	Very low	166 Å²	166	151.3 Å²	151.3	87%	0.869	79%	0.789	S	S	*	*			cis	-143.3	161.4	27.9	-75.6	166.3	0	0	0	113
731	N	24.5	Very low	24.9	Very low	148 Å²	148	151 Å²	151	79%	0.791	79%	0.788	S	S	*	*			trans	-95.5	162.8	165.6	-78.3	-33	0	0	0	110.9
732	E	26.7	Very low	24.7	Very low	158 Å²	158	148.6 Å²	148.6	74%	0.738	78%	0.775	S	S	*	*				-162.2	161.6	113.8	-111.6	173.1	-168.6	0	0	113.1
733	N	24.2	Very low	24.7	Very low	138 Å²	138	151.9 Å²	151.9	74%	0.738	77%	0.769	S	S	*	*			trans	-100.2	169.7	-174.9	-61.2	-74.8	0	0	0	111.1
734	Y	25.8	Very low	24.6	Very low	233 Å²	233	155.3 Å²	155.3	91%	0.914	77%	0.768	S	S	*	*				-161.3	157	123.7	-106.2	-67.6	0	0	0	112
735	H	22.6	Very low	24.7	Very low	160 Å²	160	153.6 Å²	153.6	74%	0.741	77%	0.769	S	S	*	*			trans	-156.7	135	-167.6	-169	-81.9	0	0	0	106.6
736	F	22.8	Very low	24.5	Very low	187 Å²	187	150.7 Å²	150.7	82%	0.82	77%	0.767	S	S	*	*			trans	179.8	154.3	140.8	-118.5	-113.8	0	0	0	117.2
737	S	23.2	Very low	24.6	Very low	90 Å²	90	153.2 Å²	153.2	63%	0.629	78%	0.777	S	S	*	*			trans	31.6	137.1	151.7	59.7	0	0	0	0	125
738	Y	21.1	Very low	24.3	Very low	229 Å²	229	156.5 Å²	156.5	90%	0.898	78%	0.782	S	S	*	*			trans	-69.9	147.7	146.7	-82.8	-112.6	0	0	0	112
739	T	24.9	Very low	24.3	Very low	140 Å²	140	157.6 Å²	157.6	86%	0.859	79%	0.786	S	S	*	*			trans	-154.6	178.6	139.7	-1	0	0	0	0	112.7
740	K	24.7	Very low	24.3	Very low	185 Å²	185	161.1 Å²	161.1	80%	0.804	79%	0.792	S	S	*	*			trans	-86.2	142.6	-159.6	-68.7	178.3	175.4	177.7	0	116.4
741	H	24.2	Very low	24.2	Very low	167 Å²	167	160.4 Å²	160.4	77%	0.773	79%	0.789	S	S	*	*			trans	69.7	150.3	134.5	-86.6	-96.1	0	0	0	124.7
742	N	25.6	Very low	24.1	Very low	113 Å²	113	160 Å²	160	60%	0.604	78%	0.782	S	S	*	*			trans	74.1	95.5	155.5	-76.8	45.4	0	0	0	121.9
743	E	24.3	Very low	24	Very low	151 Å²	151	158.9 Å²	158.9	71%	0.706	78%	0.781	S	S	*	*				77.4	143.2	118.6	-72.4	176.3	-174.6	0	0	122.8
744	N	24.5	Very low	24	Very low	150 Å²	150	156.6 Å²	156.6	80%	0.802	77%	0.769	S	S	*	*			trans	60	66	151.9	-60.1	-21.8	0	0	0	119.5
745	S	25.8	Very low	24	Very low	119 Å²	119	154.3 Å²	154.3	83%	0.832	76%	0.76	S	S	*	*			trans	-148.7	150.1	133.6	59.7	0	0	0	0	113.3
746	T	23	Very low	24.1	Very low	133 Å²	133	155.2 Å²	155.2	82%	0.816	76%	0.762	S	S	*	*			trans	-68.6	123.9	-175.1	49.1	0	0	0	0	113.1
747	N	25.7	Very low	24.2	Very low	163 Å²	163	152.4 Å²	152.4	87%	0.872	75%	0.754	S	S	*	*			trans	-152.3	141.4	151.9	-112.1	-45.3	0	0	0	113.4
748	R	21.3	Very low	24.4	Very low	238 Å²	238	157.3 Å²	157.3	90%	0.898	76%	0.764	S	S	*	*			trans	-88.8	116.1	-177.1	-65.1	176.8	-179.1	170.8	0	110.6
749	I	25.2	Very low	24.7	Very low	149 Å²	149	149.4 Å²	149.4	76%	0.764	74%	0.743	S	S	*	*			trans	-125.2	106.6	162.2	-58.4	-176.8	0	0	0	109.1	L751	I749-L751 PolarHBondContact O-N 2.88Å
750	H	23.3	Very low	24.8	Very low	167 Å²	167	146 Å²	146	77%	0.773	72%	0.724	S	S	*	*			trans	-70.7	109.7	172.4	-102.9	-91	0	0	0	109.8	Q752	H750-Q752 VanDerWaalsContact C-N 3.32Å; H750-Q752 PolarHBondContact O-N 3.19Å
751	L	24.5	Very low	25	Very low	150 Å²	150	143.2 Å²	143.2	79%	0.785	72%	0.717	S	S	*	*			trans	-80.2	80.2	168	-75.5	168.2	0	0	0	110.4	I749 N753	I749-L751 PolarHBondContact O-N 2.88Å; L751-N753 PolarHBondContact O-N 3.16Å; L751-N753 VanDerWaalsContact O-N 3.08Å
752	Q	22.6	Very low	25.1	Very low	140 Å²	140	141.8 Å²	141.8	65%	0.654	72%	0.715	S	S	*	*			trans	-69.4	94.4	169.9	-78.9	-173.2	-103.3	0	0	111	H750 D754	H750-Q752 VanDerWaalsContact C-N 3.32Å; H750-Q752 PolarHBondContact O-N 3.19Å; Q752-D754 PolarHBondContact NE2-OD2 3.12Å; Q752-D754 PolarHBondContact O-N 3.4Å
753	N	25.2	Very low	25.3	Very low	134 Å²	134	143.8 Å²	143.8	72%	0.717	71%	0.714	S	S	*	*			trans	-81.5	52.2	168.4	-79.4	-28.3	0	0	0	111.8	L751 Y755	L751-N753 PolarHBondContact O-N 3.16Å; L751-N753 VanDerWaalsContact O-N 3.08Å; N753-Y755 PolarHBondContact O-N 3.5Å
754	D	23.6	Very low	25.5	Very low	91 Å²	91	144.2 Å²	144.2	49%	0.487	71%	0.714	S	S	.	*			trans	-83.7	82.4	178.6	-75.5	-53.1	0	0	0	111.4	Q752	Q752-D754 PolarHBondContact NE2-OD2 3.12Å; Q752-D754 PolarHBondContact O-N 3.4Å
755	Y	25.5	Very low	25.7	Very low	185 Å²	185	146.2 Å²	146.2	73%	0.725	72%	0.721	S	S	*	*			trans	-121.7	73.1	176.4	-80.1	-75.3	0	0	0	112.9	N753	N753-Y755 PolarHBondContact O-N 3.5Å
756	F	25.2	Very low	25.7	Very low	178 Å²	178	150.5 Å²	150.5	78%	0.781	72%	0.724	S	S	*	*			trans	-103.8	143.7	162.4	-102	-92	0	0	0	111.9	K758	F756-K758 PolarHBondContact O-N 3.08Å
757	I	25.9	Very low	25.9	Very low	129 Å²	129	148.9 Å²	148.9	66%	0.662	72%	0.719	S	S	*	*			trans	-81.2	111.8	-166.5	-60.6	175.5	0	0	0	110.6	S759	I757-S759 PolarHBondContact O-N 3.06Å; I757-S759 VanDerWaalsContact O-N 3.17Å
758	K	25.5	Very low	25.9	Very low	192 Å²	192	149.7 Å²	149.7	84%	0.835	72%	0.719	S	S	*	*			trans	-60.5	112.6	167.2	-80.9	178	173.2	170.8	0	110.6	F756	F756-K758 PolarHBondContact O-N 3.08Å
759	S	27.9	Very low	26.2	Very low	64 Å²	64	143.9 Å²	143.9	45%	0.448	71%	0.712	S	S	.	*			trans	-74.9	122	165.2	50.7	0	0	0	0	110.3	I757 I761	I757-S759 PolarHBondContact O-N 3.06Å; I757-S759 VanDerWaalsContact O-N 3.17Å; S759-I761 PolarHBondContact O-N 2.92Å
760	S	27.3	Very low	26.2	Very low	68 Å²	68	143.1 Å²	143.1	48%	0.476	72%	0.715	S	S	.	*	S	Bend	trans	-73.3	46.9	-165.9	-53.6	0	0	0	0	116.8
761	I	28.5	Very low	26.3	Very low	126 Å²	126	143.2 Å²	143.2	65%	0.646	72%	0.72	S	S	*	*			trans	-84.5	-31.2	-173.5	-64.9	177.4	0	0	0	113	S759 R763	S759-I761 PolarHBondContact O-N 2.92Å; I761-R763 PolarHBondContact O-N 2.82Å
762	D	27.3	Very low	26.3	Very low	138 Å²	138	140 Å²	140	74%	0.738	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	35.5	-171.1	-69.4	-25.3	0	0	0	116
763	R	28.8	Very low	26.4	Very low	155 Å²	155	140.4 Å²	140.4	59%	0.585	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140	9.4	-175.9	-121.7	-176.5	-66.3	-102.9	8.3	119	Y530 I761	Y530-R763 VanDerWaalsContact CZ-CZ 3.44Å; Y530-R763 PolarHBondContact OH-NE 2.76Å; Y530-R763 VanDerWaalsContact OH-NE 3.14Å; I761-R763 PolarHBondContact O-N 2.82Å
764	K	29	Very low	26.5	Very low	159 Å²	159	141.1 Å²	141.1	69%	0.691	72%	0.719	S	S	*	*	S	Bend	trans	-129.1	24.4	174.1	-82.2	-177.7	176.1	172.9	0	115.2
765	M	28.2	Very low	26.7	Very low	193 Å²	193	142.3 Å²	142.3	95%	0.951	73%	0.731	S	S	*	*	S	Bend	trans	-112.8	27.9	177.1	-83.3	-164.9	164.7	0	0	115
766	K	25.6	Very low	27.2	Very low	208 Å²	208	138.4 Å²	138.4	90%	0.904	73%	0.728	S	S	*	*	S	Bend	trans	-137.3	62.6	176.2	-75.8	-168.6	173.8	-176.4	0	113.1
767	S	27.7	Very low	27.1	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	73%	0.729	S	S	*	*			trans	-164.3	111.3	167.2	54.7	0	0	0	0	113.7
768	M	24.8	Very low	27.1	Very low	179 Å²	179	139.8 Å²	139.8	88%	0.882	74%	0.736	S	S	*	*			trans	70.6	157.7	154.1	-50.5	-164.2	77.7	0	0	117.4
769	P	29	Very low	27	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	74%	0.739	S	S	*	*				-134.3	-173.8	-83.3	31.9	-10.1	0	0	0	115.3
770	T	24.2	Very low	26.8	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	75%	0.753	S	S	*	*			trans	-77	135	-174.2	44.9	0	0	0	0	116.2
771	L	26.2	Very low	26.5	Very low	168 Å²	168	146.1 Å²	146.1	88%	0.88	77%	0.765	S	S	*	*			trans	-157.1	151.4	145.2	-85.8	117.4	0	0	0	108.3
772	S	23.7	Very low	26.4	Very low	84 Å²	84	149.3 Å²	149.3	59%	0.587	78%	0.775	S	S	*	*				-177.7	136.9	-56	44.2	0	0	0	0	109
773	I	25.4	Very low	26.2	Very low	148 Å²	148	150.3 Å²	150.3	76%	0.759	78%	0.78	S	S	*	*			trans	64.5	97.9	153.2	-62.1	166.9	0	0	0	115.5
774	L	26.3	Very low	26	Very low	149 Å²	149	146.4 Å²	146.4	78%	0.78	79%	0.789	S	S	*	*				78.1	165	98.3	-76.6	162.1	0	0	0	114.3
775	P	29.2	Very low	25.9	Very low	116 Å²	116	143.3 Å²	143.3	75%	0.753	79%	0.792	S	S	*	*			cis	-122.9	177	6.1	32.2	-11.1	0	0	0	115.9
776	P	35.3	Very low	25.9	Very low	102 Å²	102	141 Å²	141	66%	0.662	78%	0.784	S	S	*	*			trans	-93	-164.9	175.5	39.2	-37.7	0	0	0	113.6
777	L	24.3	Very low	25.8	Very low	152 Å²	152	138.3 Å²	138.3	80%	0.796	78%	0.779	S	S	*	*			trans	91.7	151.3	-176.6	-53.7	169.4	0	0	0	113.4
778	K	24.2	Very low	25.8	Very low	184 Å²	184	143.8 Å²	143.8	80%	0.8	79%	0.79	S	S	*	*			cis	-148.8	170.1	6.6	-136.9	158	-170.4	178.2	0	111.6
779	Y	23.1	Very low	25.8	Very low	230 Å²	230	142.2 Å²	142.2	90%	0.902	78%	0.784	S	S	*	*			trans	-64.1	145.4	168.2	-84.9	-113.8	0	0	0	111.7
780	V	24	Very low	25.7	Very low	122 Å²	122	144.1 Å²	144.1	74%	0.739	79%	0.788	S	S	*	*			trans	-139.5	128.6	150.9	-176.7	0	0	0	0	108.7	F782	V780-F782 HydrophobicContact CG1-CD2 3.92Å; V780-F782 HydrophobicContact CG1-CE2 3.69Å
781	S	21.4	Very low	25.9	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	78%	0.781	S	S	*	*			trans	-97.9	149.2	170.2	48.1	0	0	0	0	110.3
782	F	25.8	Very low	26.1	Very low	192 Å²	192	138.7 Å²	138.7	84%	0.842	78%	0.775	S	S	*	*			trans	-130.8	105.4	166.8	-94	-79.9	0	0	0	110.9	V780	V780-F782 HydrophobicContact CG1-CD2 3.92Å; V780-F782 HydrophobicContact CG1-CE2 3.69Å
783	N	23.4	Very low	26.3	Very low	159 Å²	159	140.5 Å²	140.5	85%	0.85	79%	0.785	S	S	*	*			trans	-91.9	157.1	158.5	-79.1	-15.7	0	0	0	108.8
784	G	24.9	Very low	26.3	Very low	74 Å²	74	140.2 Å²	140.2	76%	0.763	79%	0.79	S	S	*	*			trans	85.1	101.2	142.1	0	0	0	0	0	119.2
785	A	26.7	Very low	26.3	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	79%	0.791	S	S	*	*			trans	75.9	154.6	137	0	0	0	0	0	121.9
786	N	29	Very low	26.1	Very low	144 Å²	144	138.2 Å²	138.2	77%	0.77	79%	0.789	S	S	*	*			trans	70.9	75.4	155.5	-60.4	-12.1	0	0	0	120.4
787	L	24.1	Very low	25.6	Very low	153 Å²	153	139 Å²	139	80%	0.801	80%	0.795	S	S	*	*				35.1	120.6	113.7	-67.5	163.7	0	0	0	119.2
788	K	26.2	Very low	25.6	Very low	214 Å²	214	141.1 Å²	141.1	93%	0.93	80%	0.798	S	S	*	*				-154	160.6	100.1	-109.7	174.6	-176.7	179.9	0	111.9
789	L	25.8	Very low	25.4	Very low	147 Å²	147	139.4 Å²	139.4	77%	0.77	79%	0.791	S	S	*	*			trans	-110	154.8	-168.5	-142.8	81.3	0	0	0	111.6
790	N	27.5	Very low	25.5	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	79%	0.791	S	S	*	*			trans	-168.4	99.9	144.3	-92.9	-16.7	0	0	0	106
791	S	28.4	Very low	25.3	Very low	95 Å²	95	138 Å²	138	66%	0.664	79%	0.793	S	S	*	*				85.4	130.2	80.1	66.4	0	0	0	0	111.9
792	A	29.4	Very low	25.6	Very low	93 Å²	93	141 Å²	141	77%	0.769	80%	0.8	S	S	*	*			cis	-148.8	-164.8	-0.7	0	0	0	0	0	110.6
793	P	28.4	Very low	25.5	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	80%	0.797	S	S	*	*				-126.6	161.6	-101.2	37.1	-19.6	0	0	0	116.6
794	V	24.2	Very low	25.7	Very low	142 Å²	142	139.5 Å²	139.5	86%	0.861	80%	0.796	S	S	*	*			trans	-100.9	139	159.7	175.6	0	0	0	0	108.2
795	S	26.6	Very low	25.7	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	80%	0.795	S	S	*	*			trans	-110.3	119.4	-175	-171.2	0	0	0	0	113.4
796	P	25.4	Very low	25.7	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	80%	0.795	S	S	*	*			trans	-128.5	127.7	166	35.5	-20.7	0	0	0	113.3
797	C	24.5	Very low	25.7	Very low	117 Å²	117	143.9 Å²	143.9	79%	0.791	80%	0.8	S	S	*	*			trans	-137.7	117.9	162.8	-80.7	0	0	0	0	107.4
798	K	23.9	Very low	25.8	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.857	80%	0.798	S	S	*	*				80.5	126.2	71.4	-88.7	-167.2	170.4	-174.4	0	113.1
799	F	21.1	Very low	25.8	Very low	149 Å²	149	141.3 Å²	141.3	65%	0.654	79%	0.793	S	S	*	*			trans	-47.1	142.5	174	-72.3	-94	0	0	0	114.4	E1072	F799-E1072 VanDerWaalsContact CE2-OE1 3.26Å; F799-E1072 WeakPolarHBondContact CE2-OE1 3.26Å; F799-E1072 WeakPolarHBondContact CE2-OE2 3.38Å; F799-E1072 WeakPolarHBondContact CZ-OE2 3.27Å
800	L	24.1	Very low	25.9	Very low	172 Å²	172	142.9 Å²	142.9	90%	0.901	80%	0.796	S	S	*	*			trans	-140.3	128	134.9	-111.3	162.7	0	0	0	108.2
801	L	21.7	Very low	25.9	Very low	151 Å²	151	143.4 Å²	143.4	79%	0.791	80%	0.796	S	S	*	*			trans	-76.3	132.4	172.4	-74.7	157.4	0	0	0	108.8
802	N	26.3	Very low	25.7	Very low	167 Å²	167	145.1 Å²	145.1	89%	0.893	80%	0.802	S	S	*	*			trans	-156.7	153.4	140.2	-126.7	-15.6	0	0	0	111.9
803	E	24.3	Very low	25.5	Very low	166 Å²	166	148 Å²	148	78%	0.776	81%	0.805	S	S	*	*			trans	-95.8	146.6	-168.2	-55.2	179.4	139.9	0	0	112.3
804	N	27.3	Very low	25.5	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	81%	0.808	S	S	*	*			trans	-166	99.1	148.2	-117.6	-67.1	0	0	0	112.6
805	P	24.2	Very low	25.7	Very low	114 Å²	114	152.9 Å²	152.9	74%	0.74	81%	0.809	S	S	*	*			trans	-100.4	85	177	35.6	-29.4	0	0	0	111.8
806	N	27.9	Very low	25.6	Very low	142 Å²	142	152.7 Å²	152.7	76%	0.759	81%	0.808	S	S	*	*			trans	-157.9	82.2	174.8	-105	-35.6	0	0	0	115.7
807	V	29.1	Very low	25.8	Very low	146 Å²	146	156 Å²	156	89%	0.885	82%	0.819	S	S	*	*			trans	-146.9	125.5	138.7	-177.7	0	0	0	0	107.3
808	T	25.9	Very low	25.9	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	82%	0.815	S	S	*	*			trans	-145.7	152.8	177.4	-42.7	0	0	0	0	110
809	K	25.8	Very low	26	Very low	191 Å²	191	154.2 Å²	154.2	83%	0.83	82%	0.817	S	S	*	*			trans	68.3	98.5	175.4	-61.1	-179.3	175.2	177.5	0	117.5
810	Q	28.3	Very low	26.3	Very low	180 Å²	180	156.6 Å²	156.6	84%	0.841	83%	0.827	S	S	*	*			trans	179.5	133.8	136	-100.5	168	62.3	0	0	107
811	M	26.3	Very low	26.4	Very low	168 Å²	168	160.3 Å²	160.3	83%	0.828	83%	0.829	S	S	*	*			cis	-130.1	165.4	-5.3	-66.5	-180	176.1	0	0	110.1
812	T	24.4	Very low	26.5	Very low	130 Å²	130	162 Å²	162	80%	0.798	83%	0.83	S	S	*	*			trans	-121.4	167.9	166.6	25.3	0	0	0	0	110.7
813	D	25.8	Very low	26.5	Very low	154 Å²	154	159 Å²	159	82%	0.824	82%	0.822	S	S	*	*			trans	76.2	152	177.5	-57.1	-27.4	0	0	0	118.4
814	K	29	Very low	26.7	Very low	199 Å²	199	159.4 Å²	159.4	87%	0.865	83%	0.829	S	S	*	*			trans	76.1	121	-167.8	-55.8	173.2	-174.6	173.1	0	113.7
815	L	28.4	Very low	26.6	Very low	167 Å²	167	157 Å²	157	87%	0.874	82%	0.816	S	S	*	*			cis	-135.5	156.3	-2.1	-73.9	106.8	0	0	0	111.7
816	S	24.4	Very low	26.8	Very low	111 Å²	111	159.6 Å²	159.6	78%	0.776	82%	0.821	S	S	*	*			trans	-116.3	126.6	170.3	60.4	0	0	0	0	111.1
817	L	28.5	Very low	26.8	Very low	179 Å²	179	162 Å²	162	94%	0.937	83%	0.828	S	S	*	*			trans	-173.7	134.5	167.5	-101.4	154.3	0	0	0	107
818	G	27.3	Very low	26.8	Very low	68 Å²	68	163 Å²	163	70%	0.701	82%	0.816	S	S	*	*			cis	-147.3	-173.1	-1	0	0	0	0	0	112.7
819	K	26.6	Very low	27	Very low	207 Å²	207	164.9 Å²	164.9	90%	0.9	82%	0.822	S	S	*	*			trans	-110.8	170.9	-172.2	-67.6	173.7	178.6	170.7	0	112.5
820	K	25.8	Very low	27.1	Very low	200 Å²	200	164.1 Å²	164.1	87%	0.87	83%	0.825	S	S	*	*			trans	84.7	139.5	-174.2	-54.3	169.2	-178.8	177.9	0	110.8
821	W	27.1	Very low	27.2	Very low	250 Å²	250	164.5 Å²	164.5	95%	0.947	82%	0.824	S	S	*	*			cis	-108.5	167.9	25.5	-73.2	62	0	0	0	115.7
822	K	24.8	Very low	27.3	Very low	187 Å²	187	165.1 Å²	165.1	81%	0.813	83%	0.825	S	S	*	*			trans	-129.9	153.6	169.7	-102.1	-170.3	174.4	-173.3	0	109
823	S	25.3	Very low	27.5	Very low	102 Å²	102	163.3 Å²	163.3	71%	0.713	82%	0.823	S	S	*	*			trans	50.2	117.4	157.4	57.5	0	0	0	0	119.6
824	L	28.3	Very low	27.6	Very low	176 Å²	176	163 Å²	163	92%	0.921	82%	0.822	S	S	*	*			trans	-148.6	128.4	139.7	-115.8	163	0	0	0	109.6
825	D	26	Very low	27.6	Very low	104 Å²	104	163 Å²	163	56%	0.556	82%	0.821	S	S	*	*			trans	-77.1	135.2	-162.1	-53.7	-22.9	0	0	0	114.1	R828	D825-R828 IonicContact OD2-NH1 2.85Å; D825-R828 PolarHBondContact OD2-NH1 2.59Å
826	I	28.5	Very low	27.7	Very low	168 Å²	168	166.2 Å²	166.2	86%	0.862	82%	0.822	S	S	*	*			trans	-134.1	54.5	147.8	-45	-178.8	0	0	0	110.1
827	E	27.6	Very low	27.9	Very low	192 Å²	192	167.5 Å²	167.5	90%	0.897	82%	0.819	S	S	*	*			trans	-115.8	36	172.5	-153.9	-173.1	-167.1	0	0	112.2
828	R	29.1	Very low	27.8	Very low	169 Å²	169	167.2 Å²	167.2	64%	0.638	81%	0.813	S	S	*	*			trans	-112.8	-14.1	-171	-101.6	-178	172.8	103.8	-1.3	117.5	D825 L830	D825-R828 IonicContact OD2-NH1 2.85Å; D825-R828 PolarHBondContact OD2-NH1 2.59Å; R828-L830 PolarHBondContact O-N 2.74Å
829	N	28.7	Very low	28	Very low	161 Å²	161	170 Å²	170	86%	0.861	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	18.3	-172.1	-72.7	-0.6	0	0	0	115.6
830	L	29.3	Very low	28.1	Very low	174 Å²	174	166.4 Å²	166.4	91%	0.911	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	8.1	178.7	-91.1	168.9	0	0	0	115.1	R828	R828-L830 PolarHBondContact O-N 2.74Å
831	K	29.5	Very low	28.3	Very low	189 Å²	189	162.3 Å²	162.3	82%	0.822	79%	0.794	S	S	*	*	S	Bend	trans	-129.7	2.9	-177.6	-84.9	-179	176.5	170.8	0	117.4
832	H	29.7	Very low	28.5	Very low	180 Å²	180	159.4 Å²	159.4	83%	0.833	79%	0.785	S	S	*	*			trans	-117.9	71.4	173.3	-74	-77.1	0	0	0	112.5
833	A	28.8	Very low	28.8	Very low	92 Å²	92	156.8 Å²	156.8	76%	0.76	78%	0.784	S	S	*	*	S	Bend	trans	-140.6	17.5	170.2	0	0	0	0	0	112.7
834	N	27.1	Very low	29.1	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	78%	0.778	S	S	*	*	S	Bend	trans	-151.1	123.1	-178.2	-97.4	-61.4	0	0	0	112.8
835	K	29	Very low	29.2	Very low	197 Å²	197	155.6 Å²	155.6	86%	0.857	77%	0.77	S	S	*	*			trans	72.3	147.2	166	-61.2	-176.5	175.9	-179.1	0	119.5
836	R	30.2	Very low	29.3	Very low	235 Å²	235	156.1 Å²	156.1	89%	0.887	78%	0.778	S	S	*	*			trans	73.1	130.4	176.6	-62.2	-178.9	174.9	164.3	-2.2	115.6
837	I	28.1	Very low	29.3	Very low	139 Å²	139	155.8 Å²	155.8	71%	0.713	78%	0.776	S	S	*	*			cis	127	114.1	-0.3	-75.6	165.4	0	0	0	110.4
838	Q	26.7	Very low	29.4	Very low	173 Å²	173	151.1 Å²	151.1	81%	0.808	77%	0.77	S	S	*	*			trans	69.1	161.3	154.6	-74.8	166.3	-25.8	0	0	121.9
839	T	31.7	Very low	29.2	Very low	125 Å²	125	152 Å²	152	77%	0.767	78%	0.781	S	S	*	*			trans	63.8	105.1	177	49.7	0	0	0	0	115.4
840	N	28.9	Very low	29.2	Very low	133 Å²	133	150.9 Å²	150.9	71%	0.711	78%	0.78	S	S	*	*				86.4	138.9	77.7	-82.9	46.4	0	0	0	110.7
841	D	30.5	Very low	29.1	Very low	114 Å²	114	147.4 Å²	147.4	61%	0.61	77%	0.77	S	S	*	*			cis	-149.8	171.5	17	-112	-39.3	0	0	0	113.5
842	Y	30.7	Very low	29	Very low	189 Å²	189	148.2 Å²	148.2	74%	0.741	77%	0.774	S	S	*	*			trans	11.2	128.9	164.2	-63	-86.9	0	0	0	119
843	V	31.3	Very low	29	Very low	132 Å²	132	150.8 Å²	150.8	80%	0.8	78%	0.776	S	S	*	*				-167	148.2	59.7	162.7	0	0	0	0	107.9
844	N	30.8	Very low	29.3	Very low	108 Å²	108	151.9 Å²	151.9	58%	0.578	78%	0.776	S	S	*	*			cis	-165.2	171.3	-20.3	-98.8	-0.1	0	0	0	107.4
845	N	30.6	Very low	29.4	Very low	144 Å²	144	150.6 Å²	150.6	77%	0.77	77%	0.773	S	S	*	*			trans	57.8	121.3	159.7	-62	1.6	0	0	0	118.3
846	T	29.4	Very low	29.5	Very low	116 Å²	116	148.1 Å²	148.1	71%	0.712	77%	0.77	S	S	*	*			cis	-156.3	128	11.5	-23	0	0	0	0	111.5
847	I	27.9	Very low	29.7	Very low	161 Å²	161	145.2 Å²	145.2	83%	0.826	77%	0.766	S	S	*	*			trans	33	131.1	135.4	-55.6	173.3	0	0	0	118
848	A	29.8	Very low	29.9	Very low	93 Å²	93	146.1 Å²	146.1	77%	0.769	77%	0.773	S	S	*	*			cis	-140.7	175.8	22.5	0	0	0	0	0	114.5
849	Q	24.8	Very low	30	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	77%	0.774	S	S	*	*			trans	-111.5	173.4	176.4	-58.8	172.7	-35.8	0	0	112
850	V	28.9	Very low	29.8	Very low	138 Å²	138	139.2 Å²	139.2	84%	0.836	77%	0.772	S	S	*	*				-171.3	141	116.5	147.4	0	0	0	0	109.1
851	S	25.9	Very low	30	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	78%	0.777	S	S	*	*			trans	-159.9	142.7	173.2	63.6	0	0	0	0	111.2
852	F	27.5	Very low	30.1	Very low	206 Å²	206	141.5 Å²	141.5	90%	0.904	78%	0.779	S	S	*	*			trans	-148.7	137.3	166.4	-83.9	-66.1	0	0	0	115.7
853	R	31.5	Very low	30.1	Very low	234 Å²	234	138.9 Å²	138.9	88%	0.883	78%	0.777	S	S	*	*			trans	-128.2	158.5	149.6	-91.4	-174	175.9	-165.6	-0.6	103.6
854	P	34.2	Very low	30	Very low	115 Å²	115	138.2 Å²	138.2	75%	0.747	77%	0.774	S	S	*	*				-157.2	-152.6	55.5	43.7	-20.5	0	0	0	113.4
855	T	28.8	Very low	30	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	78%	0.783	S	S	*	*			trans	169.4	162.9	143.3	30.7	0	0	0	0	108.1
856	N	31.2	Very low	30	Very low	146 Å²	146	140.2 Å²	140.2	78%	0.781	78%	0.778	S	S	*	*			cis	-152.6	160.6	-4.8	-131.2	-10	0	0	0	110.5
857	Q	34.8	Very low	30	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	78%	0.781	S	S	*	*			trans	-165.9	121.7	145.4	-116.7	176	26.1	0	0	113.5
858	N	32	Very low	30.2	Very low	158 Å²	158	136.1 Å²	136.1	85%	0.845	77%	0.774	S	S	*	*			trans	55.3	123.1	151.4	-56.5	1.4	0	0	0	121.3
859	G	29.1	Very low	30.2	Very low	82 Å²	82	137.8 Å²	137.8	85%	0.845	77%	0.77	S	S	*	*			trans	152.4	92.5	168.5	0	0	0	0	0	110.2
860	G	26.8	Very low	30.4	Very low	70 Å²	70	135.8 Å²	135.8	72%	0.722	76%	0.764	S	S	*	*			trans	-92.8	163	-163.8	0	0	0	0	0	116.1
861	H	34.4	Very low	30.5	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.815	75%	0.754	S	S	*	*			trans	-161	122.5	132.9	-103.2	-69.6	0	0	0	110.6
862	D	31.3	Very low	30.7	Very low	120 Å²	120	134.4 Å²	134.4	64%	0.642	76%	0.759	S	S	*	*			trans	39.6	122.4	139.5	-54.4	-36.1	0	0	0	123.9
863	N	30.5	Very low	30.9	Very low	133 Å²	133	130.5 Å²	130.5	71%	0.711	75%	0.747	S	S	*	*				83	120.1	129.8	-67.3	-19.6	0	0	0	123.4
864	T	30.1	Very low	30.8	Very low	119 Å²	119	127 Å²	127	73%	0.73	74%	0.741	S	S	*	*			trans	67.7	149.5	140.3	57.2	0	0	0	0	118.9
865	Q	30.6	Very low	30.6	Very low	164 Å²	164	127 Å²	127	77%	0.766	74%	0.743	S	S	*	*			cis	-169.6	164.6	-10.3	-98.1	176.1	7.5	0	0	105.3
866	L	29.8	Very low	30.5	Very low	129 Å²	129	125.9 Å²	125.9	68%	0.675	74%	0.74	S	S	*	*			cis	-156.1	144.3	-8.9	-98.7	161.2	0	0	0	106
867	V	29.9	Very low	30.3	Very low	125 Å²	125	127.4 Å²	127.4	76%	0.758	75%	0.745	S	S	*	*				61.1	141.6	93.9	173	0	0	0	0	116.7	D869	V867-D869 WeakPolarHBondContact CG1-OD2 3.44Å
868	G	32	Very low	29.9	Very low	67 Å²	67	122.1 Å²	122.1	69%	0.691	74%	0.737	S	S	*	*			trans	124.6	91.4	-172.5	0	0	0	0	0	111.1
869	D	31.1	Very low	29.6	Very low	128 Å²	128	124.7 Å²	124.7	68%	0.684	74%	0.736	S	S	*	*			cis	67.4	140.5	39.6	-56.4	-35.8	0	0	0	113.7	V867	V867-D869 WeakPolarHBondContact CG1-OD2 3.44Å
870	I	27.7	Very low	29.4	Very low	146 Å²	146	127.5 Å²	127.5	75%	0.749	73%	0.731	S	S	*	*			cis	-158.8	162.2	-11.8	-115.5	164	0	0	0	108.6
871	G	31.4	Very low	29.2	Very low	61 Å²	61	131.4 Å²	131.4	63%	0.629	74%	0.735	S	S	*	*			trans	93.9	162.1	155.1	0	0	0	0	0	118
872	D	29.8	Very low	28.7	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	73%	0.73	S	S	*	*			cis	-161.5	171.3	-15.5	-112.8	-32.5	0	0	0	112.3
873	D	32.1	Very low	28.5	Very low	124 Å²	124	128.4 Å²	128.4	66%	0.663	74%	0.738	S	S	*	*			trans	73.2	114.1	150.8	-89.8	-2.5	0	0	0	124.5
874	Q	29.6	Very low	28.1	Very low	161 Å²	161	129.4 Å²	129.4	75%	0.752	74%	0.743	S	S	*	*				104.1	138	120.4	-76.9	-177.7	55.1	0	0	123.3
875	S	30	Very low	27.8	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	74%	0.744	S	S	*	*			trans	71.8	143	167.3	75.4	0	0	0	0	119.5
876	S	26.8	Very low	27.5	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	75%	0.745	S	S	*	*				-178.2	147.8	-53.1	43.5	0	0	0	0	110.7
877	M	26.9	Very low	27.2	Very low	179 Å²	179	135 Å²	135	88%	0.882	75%	0.752	S	S	*	*			trans	87	124.4	-167.8	-80.3	73.2	97.1	0	0	113.4
878	G	25.6	Very low	26.7	Very low	63 Å²	63	133.9 Å²	133.9	65%	0.649	75%	0.75	S	S	*	*			cis	107.5	130.7	22.2	0	0	0	0	0	109
879	Y	26.5	Very low	26.2	Very low	211 Å²	211	136 Å²	136	83%	0.827	75%	0.753	S	S	*	*			cis	-133.1	145.7	10	-83.6	-111.3	0	0	0	108.4
880	I	23.9	Very low	25.8	Very low	142 Å²	142	135.9 Å²	135.9	73%	0.728	76%	0.757	S	S	*	*				84	105.7	56.3	-67.8	175.2	0	0	0	114.5
881	D	23.7	Very low	25.7	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	76%	0.757	S	S	*	*			trans	82.3	157.8	144.3	-114.8	-44.9	0	0	0	126.3
882	S	24.3	Very low	25.3	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	77%	0.769	S	S	*	*			trans	79.3	144.7	165	82.7	0	0	0	0	118
883	T	26.5	Very low	25	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	77%	0.767	S	S	*	*			cis	-130.7	146.7	14.4	42.2	0	0	0	0	115.3
884	N	22.6	Very low	24.8	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	78%	0.777	S	S	*	*			trans	-131.4	153.6	153.9	-136.9	-26.3	0	0	0	106.4
885	K	23.5	Very low	24.6	Very low	169 Å²	169	143.7 Å²	143.7	74%	0.735	78%	0.781	S	S	*	*			trans	74.7	169.5	-176.6	-55	177.9	174.7	175.2	0	117.9
886	Y	24.3	Very low	24.3	Very low	200 Å²	200	147.7 Å²	147.7	78%	0.784	78%	0.784	S	S	*	*			trans	73.5	122.9	175.2	-51.2	-70.1	0	0	0	115.5
887	L	22.3	Very low	24.3	Very low	159 Å²	159	152.3 Å²	152.3	83%	0.832	79%	0.792	S	S	*	*			cis	69.2	120.9	8	-125.7	100.6	0	0	0	116.9
888	S	21	Very low	24.4	Very low	103 Å²	103	150.5 Å²	150.5	72%	0.72	79%	0.791	S	S	*	*			trans	72.7	124.1	167.3	67.9	0	0	0	0	121.3
889	C	20.3	Very low	24.4	Very low	111 Å²	111	152.7 Å²	152.7	75%	0.75	80%	0.797	S	S	*	*			trans	51.9	135.5	132.9	-64.4	0	0	0	0	124.9
890	T	23.3	Very low	24.8	Very low	126 Å²	126	147.3 Å²	147.3	77%	0.773	78%	0.782	S	S	*	*			trans	67.7	149.8	143.3	52.1	0	0	0	0	118.9
891	T	25.2	Very low	25.3	Very low	122 Å²	122	145.2 Å²	145.2	75%	0.748	78%	0.78	S	S	*	*			cis	-160.1	147.2	-5.6	6.4	0	0	0	0	112.6
892	R	22.6	Very low	26	Very low	231 Å²	231	145.3 Å²	145.3	87%	0.872	77%	0.773	S	S	*	*			trans	61.6	137.7	144.7	-139.1	173.7	-166.4	162.5	1.2	120.1
893	S	25.1	Very low	26.7	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	77%	0.77	S	S	*	*			trans	67.6	136.4	176.9	-4.8	0	0	0	0	114.7
894	D	27.3	Very low	27.8	Very low	164 Å²	164	139.6 Å²	139.6	88%	0.877	74%	0.737	S	S	*	*			cis	-113.7	144.6	8.5	-82.4	-44.5	0	0	0	115
895	Q	24.5	Very low	29	Very low	180 Å²	180	132.5 Å²	132.5	84%	0.841	70%	0.699	S	S	*	*			trans	-102.3	121.5	166.3	-67.6	-178.8	-9	0	0	110.1
896	K	25.1	Very low	29.9	Very low	197 Å²	197	127.7 Å²	127.7	86%	0.857	69%	0.687	S	S	*	*			trans	166	94.1	137.8	-89.9	152.2	-173.1	171.9	0	112.6
897	K	26.9	Very low	31	Very low	196 Å²	196	119.1 Å²	119.1	85%	0.852	66%	0.655	S	S	*	*	S	Bend		170.9	145.9	119.2	-91.5	160.8	-177.5	177.7	0	112.7
898	T	28.2	Very low	31.9	Very low	141 Å²	141	118.6 Å²	118.6	87%	0.865	65%	0.646	S	S	*	*			trans	51.2	78.3	161.8	55	0	0	0	0	118.3
899	S	26.1	Very low	32.8	Very low	109 Å²	109	116.5 Å²	116.5	76%	0.762	63%	0.628	S	S	*	*			trans	-69.6	147.7	155.3	53.6	0	0	0	0	112.1
900	N	34.6	Very low	34	Very low	97 Å²	97	114 Å²	114	52%	0.519	62%	0.622	S	S	.	*			trans	-162.6	-26.6	151.6	-111.9	10.3	0	0	0	115.8	K902 N922	N900-K902 PolarHBondContact O-N 2.69Å; N900-N922 PolarHBondContact ND2-ND2 3.27Å; N900-N922 VanDerWaalsContact ND2-ND2 3.11Å; N900-N922 PolarHBondContact OD1-ND2 2.92Å
901	S	33.3	Very low	34.7	Very low	99 Å²	99	117.5 Å²	117.5	69%	0.692	63%	0.627	S	S	*	*			trans	-85.3	109.5	-179.9	42.8	0	0	0	0	112.7
902	K	39.2	Very low	35.3	Very low	153 Å²	153	115.8 Å²	115.8	67%	0.665	61%	0.61	S	S	*	*			trans	-112.5	128.3	168.3	-71.4	-178	179	176	0	109.8	N900 I904	N900-K902 PolarHBondContact O-N 2.69Å; K902-I904 WeakPolarHBondContact O-CG1 3.4Å; K902-I904 PolarHBondContact O-N 2.92Å
903	S	38.6	Very low	36.4	Very low	93 Å²	93	108.2 Å²	108.2	65%	0.65	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.9	125.5	170.4	51.6	0	0	0	0	110.3
904	I	50	Low	37.3	Very low	20 Å²	20	105.8 Å²	105.8	10%	0.103	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.3	-32.4	-169.9	-56	-160.2	0	0	0	112.9	K902 I916 L918 F920 I990	K902-I904 WeakPolarHBondContact O-CG1 3.4Å; K902-I904 PolarHBondContact O-N 2.92Å; I904-I916 PolarHBondContact N-O 3.49Å; I904-L918 HydrophobicContact CB-CD1 4.2Å; I904-L918 HydrophobicContact CB-CG 4.49Å; I904-L918 HydrophobicContact CD1-CB 3.99Å; I904-L918 HydrophobicContact CD1-CD1 4.22Å; I904-L918 HydrophobicContact CG1-CB 4.28Å; I904-L918 HydrophobicContact CG2-CD1 4.3Å; I904-F920 HydrophobicContact CD1-CD2 4.19Å; I904-F920 HydrophobicContact CD1-CE2 3.62Å; I904-I990 HydrophobicContact CG2-CG1 4.45Å; I904-I990 HydrophobicContact CG2-CG2 4.2Å
905	A	47.9	Very low	38.3	Very low	5 Å²	5	100.2 Å²	100.2	4%	0.041	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	124.3	174.4	0	0	0	0	0	113.4	I907 I916 L997	A905-I907 HydrophobicContact CB-CD1 3.67Å; A905-I916 PolarHBondContact N-O 3.05Å; A905-I916 WeakPolarHBondContact O-CB 3.06Å; A905-I916 PolarHBondContact O-N 3.15Å; A905-L997 HydrophobicContact CB-CD1 4.36Å
906	S	42.2	Very low	39.6	Very low	69 Å²	69	92.5 Å²	92.5	48%	0.483	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.2	155.3	-52.5	0	0	0	0	107.8	N915	S906-N915 VanDerWaalsContact CB-OD1 3.24Å; S906-N915 WeakPolarHBondContact CB-OD1 3.46Å; S906-N915 PolarHBondContact OG-OD1 2.84Å
907	I	47.2	Very low	40.9	Very low	20 Å²	20	86.2 Å²	86.2	10%	0.103	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.2	172.5	-55.9	96.8	0	0	0	109.2	A905 V909 M914 I916 L1001	A905-I907 HydrophobicContact CB-CD1 3.67Å; I907-V909 HydrophobicContact CG2-CG2 4.18Å; I907-M914 PolarHBondContact N-O 2.88Å; I907-M914 PolarHBondContact O-N 2.74Å; I907-I916 HydrophobicContact CD1-CD1 3.51Å; I907-I916 HydrophobicContact CD1-CG1 3.88Å; I907-L1001 HydrophobicContact CB-CD1 4.08Å; I907-L1001 HydrophobicContact CD1-CD1 3.66Å; I907-L1001 HydrophobicContact CG1-CD1 3.6Å; I907-L1001 HydrophobicContact CG2-CD1 3.98Å
908	K	41.5	Very low	42	Very low	147 Å²	147	77.2 Å²	77.2	64%	0.639	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.9	176	-167.6	169.4	-174.5	168.9	0	109.6	H912	K908-H912 CarbonylContact C-O 3.57Å; K908-H912 WeakPolarHBondContact CA-O 3.23Å
909	V	40.2	Very low	43	Very low	59 Å²	59	72.8 Å²	72.8	36%	0.358	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	95.6	179	-174.8	0	0	0	0	107.6	I907 K911 H912 E1005	I907-V909 HydrophobicContact CG2-CG2 4.18Å; V909-K911 PolarHBondContact O-N 3.35Å; V909-H912 PolarHBondContact N-O 3.16Å; V909-H912 PolarHBondContact O-N 3.44Å; V909-H912 VanDerWaalsContact O-N 3.11Å; V909-E1005 HydrophobicContact CG1-CG 4.42Å
910	G	45.8	Very low	44.2	Very low	60 Å²	60	69.8 Å²	69.8	62%	0.619	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-122.5	-172.2	0	0	0	0	0	112.5	H912	G910-H912 VanDerWaalsContact C-N 3.34Å
911	K	37.9	Very low	44.8	Very low	199 Å²	199	67.8 Å²	67.8	87%	0.865	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.8	176.2	-70.6	-169.9	176.9	-174.6	0	113.9	V909	V909-K911 PolarHBondContact O-N 3.35Å
912	H	37.2	Very low	45.4	Very low	86 Å²	86	68.2 Å²	68.2	40%	0.398	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.6	-176.4	-59.6	-79.3	0	0	0	111.4	K908 V909 G910 H936	K908-H912 CarbonylContact C-O 3.57Å; K908-H912 WeakPolarHBondContact CA-O 3.23Å; V909-H912 PolarHBondContact N-O 3.16Å; V909-H912 PolarHBondContact O-N 3.44Å; V909-H912 VanDerWaalsContact O-N 3.11Å; G910-H912 VanDerWaalsContact C-N 3.34Å; H912-H936 AromaticContact CE1-CE1 3.87Å; H912-H936 AromaticContact CE1-NE2 3.67Å
913	E	44.4	Very low	45.8	Very low	72 Å²	72	67 Å²	67	34%	0.336	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.2	172.8	-170.7	165.5	-110.6	0	0	108.9	S934 S935	E913-S934 WeakPolarHBondContact O-CA 3.44Å; E913-S935 PolarHBondContact O-N 3.11Å
914	M	45.5	Very low	46.3	Very low	55 Å²	55	65 Å²	65	27%	0.271	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.4	174.5	-88.2	-168.5	172.5	0	0	109.3	I907 L932 S933 L961	I907-M914 PolarHBondContact N-O 2.88Å; I907-M914 PolarHBondContact O-N 2.74Å; M914-L932 HydrophobicContact SD-CD2 4.47Å; M914-S933 WeakPolarHBondContact CA-O 3.21Å; M914-L961 HydrophobicContact CE-CD2 4.4Å
915	N	48.2	Very low	46.3	Very low	47 Å²	47	68.5 Å²	68.5	25%	0.251	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.8	172.7	-70.4	-57.9	0	0	0	109.6	S906 S933	S906-N915 VanDerWaalsContact CB-OD1 3.24Å; S906-N915 WeakPolarHBondContact CB-OD1 3.46Å; S906-N915 PolarHBondContact OG-OD1 2.84Å; N915-S933 PolarHBondContact N-O 2.88Å; N915-S933 PolarHBondContact O-N 3.2Å; N915-S933 VanDerWaalsContact O-N 3.1Å; N915-S933 PolarHBondContact O-OG 2.74Å
916	I	52.2	Low	46.2	Very low	19 Å²	19	71.7 Å²	71.7	10%	0.097	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105	173.6	-49.5	-173.8	0	0	0	108.6	I904 A905 I907 L918 L932 L997	I904-I916 PolarHBondContact N-O 3.49Å; A905-I916 PolarHBondContact N-O 3.05Å; A905-I916 WeakPolarHBondContact O-CB 3.06Å; A905-I916 PolarHBondContact O-N 3.15Å; I907-I916 HydrophobicContact CD1-CD1 3.51Å; I907-I916 HydrophobicContact CD1-CG1 3.88Å; I916-L918 HydrophobicContact CG2-CD2 3.75Å; I916-L918 HydrophobicContact CG2-CG 4.03Å; I916-L932 HydrophobicContact CD1-CD2 4.49Å; I916-L932 HydrophobicContact CG1-CD2 3.96Å; I916-L997 HydrophobicContact CD1-CD1 4.47Å; I916-L997 HydrophobicContact CD1-CD2 4.45Å
917	L	50.6	Low	46.5	Very low	64 Å²	64	70.3 Å²	70.3	34%	0.335	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.7	162.3	-97	149.6	0	0	0	108.7	F930 K931	L917-F930 CarbonylContact O-C 3.58Å; L917-F930 VanDerWaalsContact O-CA 3.29Å; L917-F930 WeakPolarHBondContact O-CA 3.17Å; L917-K931 HydrophobicContact CB-CB 4.11Å; L917-K931 PolarHBondContact N-O 3.49Å; L917-K931 PolarHBondContact O-N 3.17Å
918	L	50.2	Low	46.6	Very low	8 Å²	8	75 Å²	75	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.4	171.6	-61.1	178.8	0	0	0	107	I904 I916 F920 L927 F930 I993	I904-L918 HydrophobicContact CB-CD1 4.2Å; I904-L918 HydrophobicContact CB-CG 4.49Å; I904-L918 HydrophobicContact CD1-CB 3.99Å; I904-L918 HydrophobicContact CD1-CD1 4.22Å; I904-L918 HydrophobicContact CG1-CB 4.28Å; I904-L918 HydrophobicContact CG2-CD1 4.3Å; I916-L918 HydrophobicContact CG2-CD2 3.75Å; I916-L918 HydrophobicContact CG2-CG 4.03Å; L918-F920 HydrophobicContact CB-CE2 4.27Å; L918-L927 HydrophobicContact CB-CD1 3.83Å; L918-L927 HydrophobicContact CD2-CD1 3.9Å; L918-L927 HydrophobicContact CG-CD1 4.35Å; L918-F930 HydrophobicContact CD2-CB 3.94Å; L918-I993 HydrophobicContact CD1-CG2 4.41Å
919	D	51	Low	47	Very low	48 Å²	48	71 Å²	71	26%	0.257	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.6	176.7	-178.9	29.8	0	0	0	108.8	L927 H928 N929	D919-L927 CarbonylContact O-C 3.52Å; D919-L927 WeakPolarHBondContact O-CD1 3.27Å; D919-H928 PolarHBondContact O-N 2.71Å; D919-H928 IonicContact OD2-CE1 3.01Å; D919-H928 IonicContact OD2-CG 3.69Å; D919-H928 IonicContact OD2-ND1 2.62Å; D919-H928 PolarHBondContact OD2-ND1 2.97Å; D919-N929 HydrophobicContact CB-CB 3.91Å; D919-N929 PolarHBondContact N-O 2.74Å; D919-N929 PolarHBondContact O-N 2.81Å
920	F	49.9	Very low	47.4	Very low	45 Å²	45	70.6 Å²	70.6	20%	0.197	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.1	-174.2	-76.6	-63.1	0	0	0	110.7	I904 L918 N922 L927 V976 F980	I904-F920 HydrophobicContact CD1-CD2 4.19Å; I904-F920 HydrophobicContact CD1-CE2 3.62Å; L918-F920 HydrophobicContact CB-CE2 4.27Å; F920-N922 PolarHBondContact O-N 3.48Å; F920-L927 HydrophobicContact CD1-CB 4.43Å; F920-L927 HydrophobicContact CD1-CD1 4.14Å; F920-L927 HydrophobicContact CE1-CB 4.2Å; F920-L927 HydrophobicContact CE1-CD1 3.78Å; F920-L927 HydrophobicContact CZ-CD1 4.17Å; F920-V976 HydrophobicContact CE1-CG1 4.2Å; F920-F980 HydrophobicContact CD1-CE2 4.26Å; F920-F980 HydrophobicContact CD1-CZ 4.28Å; F920-F980 AromaticContact CE1-CE2 3.75Å; F920-F980 HydrophobicContact CE1-CE2 3.75Å; F920-F980 HydrophobicContact CE1-CZ 4.08Å; F920-F980 HydrophobicContact CZ-CE2 4.25Å; F920-F980 HydrophobicContact CZ-CZ 4.44Å
921	N	48.2	Very low	47.2	Very low	55 Å²	55	74.4 Å²	74.4	29%	0.294	38%	0.375	S	S	.	.			trans	-77.8	107.1	173.9	176.5	22.9	0	0	0	110.5	T923 S924 N925 N926 H928	N921-T923 VanDerWaalsContact CG-OG1 3.26Å; N921-T923 PolarHBondContact ND2-OG1 3.42Å; N921-T923 PolarHBondContact O-N 3.13Å; N921-T923 PolarHBondContact OD1-N 2.96Å; N921-T923 PolarHBondContact OD1-OG1 2.81Å; N921-S924 WeakPolarHBondContact ND2-CB 3.45Å; N921-S924 PolarHBondContact ND2-OG 3.43Å; N921-S924 PolarHBondContact O-N 2.95Å; N921-N925 PolarHBondContact O-N 2.77Å; N921-N926 PolarHBondContact N-O 2.88Å; N921-H928 HydrophobicContact CB-CB 4.3Å
922	N	44.7	Very low	47.5	Very low	109 Å²	109	67.9 Å²	67.9	58%	0.583	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-21	177.4	-69.8	-1	0	0	0	114.7	N900 F920	N900-N922 PolarHBondContact ND2-ND2 3.27Å; N900-N922 VanDerWaalsContact ND2-ND2 3.11Å; N900-N922 PolarHBondContact OD1-ND2 2.92Å; F920-N922 PolarHBondContact O-N 3.48Å
923	T	48.1	Very low	47.5	Very low	127 Å²	127	66.1 Å²	66.1	78%	0.779	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.6	-179.9	61.3	0	0	0	0	114.5	N921	N921-T923 VanDerWaalsContact CG-OG1 3.26Å; N921-T923 PolarHBondContact ND2-OG1 3.42Å; N921-T923 PolarHBondContact O-N 3.13Å; N921-T923 PolarHBondContact OD1-N 2.96Å; N921-T923 PolarHBondContact OD1-OG1 2.81Å
924	S	49.8	Very low	47.2	Very low	52 Å²	52	66.1 Å²	66.1	36%	0.364	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-2.1	-173.4	80.3	0	0	0	0	116	N921 N926	N921-S924 WeakPolarHBondContact ND2-CB 3.45Å; N921-S924 PolarHBondContact ND2-OG 3.43Å; N921-S924 PolarHBondContact O-N 2.95Å; S924-N926 PolarHBondContact O-N 3.16Å; S924-N926 PolarHBondContact O-OD1 2.85Å; S924-N926 WeakPolarHBondContact OG-CB 3.34Å; S924-N926 PolarHBondContact OG-N 2.78Å
925	N	48.3	Very low	46.9	Very low	93 Å²	93	65.4 Å²	65.4	50%	0.497	36%	0.355	S	S	.	.			trans	54.3	15.2	-173.7	-72.5	-14.5	0	0	0	114.9	N921 F980	N921-N925 PolarHBondContact O-N 2.77Å; N925-F980 HydrophobicContact CB-CD1 3.78Å; N925-F980 HydrophobicContact CB-CE1 3.76Å; N925-F980 HydrophobicContact CB-CG 4.23Å; N925-F980 HydrophobicContact CB-CZ 4.2Å; N925-F980 WeakPolarHBondContact O-CD2 3.33Å; N925-F980 WeakPolarHBondContact O-CE2 3.49Å
926	N	46.5	Very low	46.1	Very low	72 Å²	72	70 Å²	70	39%	0.385	37%	0.374	S	S	.	.	S	Bend	trans	-89.1	146.9	175.2	-70	-11	0	0	0	109.9	N921 S924 H928	N921-N926 PolarHBondContact N-O 2.88Å; S924-N926 PolarHBondContact O-N 3.16Å; S924-N926 PolarHBondContact O-OD1 2.85Å; S924-N926 WeakPolarHBondContact OG-CB 3.34Å; S924-N926 PolarHBondContact OG-N 2.78Å; N926-H928 PolarHBondContact O-N 2.72Å
927	L	48.2	Very low	45	Very low	39 Å²	39	75.2 Å²	75.2	20%	0.204	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	115.7	167.2	-171.9	73.1	0	0	0	108.2	L918 D919 F920	L918-L927 HydrophobicContact CB-CD1 3.83Å; L918-L927 HydrophobicContact CD2-CD1 3.9Å; L918-L927 HydrophobicContact CG-CD1 4.35Å; D919-L927 CarbonylContact O-C 3.52Å; D919-L927 WeakPolarHBondContact O-CD1 3.27Å; F920-L927 HydrophobicContact CD1-CB 4.43Å; F920-L927 HydrophobicContact CD1-CD1 4.14Å; F920-L927 HydrophobicContact CE1-CB 4.2Å; F920-L927 HydrophobicContact CE1-CD1 3.78Å; F920-L927 HydrophobicContact CZ-CD1 4.17Å
928	H	51.1	Low	43.8	Very low	118 Å²	118	79.7 Å²	79.7	55%	0.546	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-40.9	-178.5	-178.1	-116.2	0	0	0	111.1	D919 N921 N926	D919-H928 PolarHBondContact O-N 2.71Å; D919-H928 IonicContact OD2-CE1 3.01Å; D919-H928 IonicContact OD2-CG 3.69Å; D919-H928 IonicContact OD2-ND1 2.62Å; D919-H928 PolarHBondContact OD2-ND1 2.97Å; N921-H928 HydrophobicContact CB-CB 4.3Å; N926-H928 PolarHBondContact O-N 2.72Å
929	N	48.7	Very low	42.7	Very low	63 Å²	63	85.5 Å²	85.5	34%	0.337	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.5	179.2	-152	-16.6	0	0	0	110.8	D919	D919-N929 HydrophobicContact CB-CB 3.91Å; D919-N929 PolarHBondContact N-O 2.74Å; D919-N929 PolarHBondContact O-N 2.81Å
930	F	48.2	Very low	41.7	Very low	51 Å²	51	90.8 Å²	90.8	22%	0.224	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.6	165.8	78.4	-76.1	0	0	0	110.7	L917 L918 L932 Y969	L917-F930 CarbonylContact O-C 3.58Å; L917-F930 VanDerWaalsContact O-CA 3.29Å; L917-F930 WeakPolarHBondContact O-CA 3.17Å; L918-F930 HydrophobicContact CD2-CB 3.94Å; F930-L932 HydrophobicContact CD2-CG 4.38Å; F930-L932 HydrophobicContact CE2-CD1 4.09Å; F930-L932 HydrophobicContact CE2-CG 4.23Å; F930-Y969 AromaticContact CE1-CD2 3.88Å; F930-Y969 HydrophobicContact CE1-CD2 3.88Å
931	K	43.1	Very low	40.6	Very low	141 Å²	141	97.2 Å²	97.2	61%	0.613	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.3	178	-170.3	173.8	-176.3	177.3	0	109.9	L917	L917-K931 HydrophobicContact CB-CB 4.11Å; L917-K931 PolarHBondContact N-O 3.49Å; L917-K931 PolarHBondContact O-N 3.17Å
932	L	42.5	Very low	39.6	Very low	62 Å²	62	102 Å²	102	33%	0.325	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.6	163.6	-72.7	166.7	0	0	0	108.7	M914 I916 F930 I965	M914-L932 HydrophobicContact SD-CD2 4.47Å; I916-L932 HydrophobicContact CD1-CD2 4.49Å; I916-L932 HydrophobicContact CG1-CD2 3.96Å; F930-L932 HydrophobicContact CD2-CG 4.38Å; F930-L932 HydrophobicContact CE2-CD1 4.09Å; F930-L932 HydrophobicContact CE2-CG 4.23Å; L932-I965 HydrophobicContact CD1-CG1 4.43Å
933	S	38.8	Very low	38.9	Very low	49 Å²	49	103 Å²	103	34%	0.343	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.4	169.8	51.8	0	0	0	0	109.6	M914 N915	M914-S933 WeakPolarHBondContact CA-O 3.21Å; N915-S933 PolarHBondContact N-O 2.88Å; N915-S933 PolarHBondContact O-N 3.2Å; N915-S933 VanDerWaalsContact O-N 3.1Å; N915-S933 PolarHBondContact O-OG 2.74Å
934	S	37	Very low	37.9	Very low	71 Å²	71	106 Å²	106	50%	0.497	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.2	177.2	-175	0	0	0	0	109.6	E913	E913-S934 WeakPolarHBondContact O-CA 3.44Å
935	S	39.4	Very low	36.9	Very low	41 Å²	41	111 Å²	111	29%	0.287	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87	113.5	169.9	33.9	0	0	0	0	109.3	E913	E913-S935 PolarHBondContact O-N 3.11Å
936	H	32.2	Very low	35.8	Very low	142 Å²	142	113.5 Å²	113.5	66%	0.657	58%	0.576	S	S	*	*			trans	-82.3	115.5	158.6	-121.6	-65.3	0	0	0	107.3	H912 I938	H912-H936 AromaticContact CE1-CE1 3.87Å; H912-H936 AromaticContact CE1-NE2 3.67Å; H936-I938 PolarHBondContact O-N 3.45Å
937	L	29.3	Very low	35.1	Very low	129 Å²	129	120 Å²	120	68%	0.675	60%	0.601	S	S	*	*			trans	-66.5	106.3	162.4	-85.8	95.2	0	0	0	107.9	N939	L937-N939 PolarHBondContact O-N 3.19Å
938	I	25.3	Very low	34	Very low	159 Å²	159	124 Å²	124	82%	0.815	63%	0.632	S	S	*	*			trans	-81.2	96.2	161.6	-59.1	173.3	0	0	0	105.7	H936	H936-I938 PolarHBondContact O-N 3.45Å
939	N	26.9	Very low	32.7	Very low	130 Å²	130	123.2 Å²	123.2	70%	0.695	64%	0.64	S	S	*	*			trans	-145.9	153.4	165.6	-97.3	-25.2	0	0	0	108	L937	L937-N939 PolarHBondContact O-N 3.19Å
940	N	29.3	Very low	31.7	Very low	158 Å²	158	127 Å²	127	85%	0.845	66%	0.658	S	S	*	*			trans	64.5	84.5	-167.4	-57.6	31.5	0	0	0	112.3
941	K	26.1	Very low	30.6	Very low	180 Å²	180	132.6 Å²	132.6	78%	0.783	69%	0.69	S	S	*	*			trans	-62	174.5	135.1	-70.5	178.5	176.1	176.9	0	108.8
942	D	28.7	Very low	29.9	Very low	156 Å²	156	132.1 Å²	132.1	83%	0.834	69%	0.694	S	S	*	*			trans	66.4	60.7	166.3	-43.9	-36.7	0	0	0	114.3
943	D	29.4	Very low	29.2	Very low	130 Å²	130	135 Å²	135	70%	0.695	71%	0.706	S	S	*	*			trans	-152	144.1	148.8	-131.9	-12.4	0	0	0	113.7
944	Y	27.3	Very low	28.6	Very low	191 Å²	191	141.4 Å²	141.4	75%	0.749	73%	0.728	S	S	*	*			trans	50.4	74.5	173.5	-60.4	-71.2	0	0	0	120.3
945	L	28.1	Very low	28.3	Very low	157 Å²	157	142 Å²	142	82%	0.822	73%	0.725	S	S	*	*				-57	156.6	124	-80.3	158.4	0	0	0	110
946	N	26.5	Very low	28	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	73%	0.726	S	S	*	*			trans	74.6	84.1	179.4	-52.3	-35.8	0	0	0	117.4
947	K	30.1	Very low	27.9	Very low	210 Å²	210	143.9 Å²	143.9	91%	0.913	73%	0.731	S	S	*	*				-162.5	124.6	128.6	-110	157.6	-172.3	170.1	0	112.1
948	S	25.2	Very low	28.2	Very low	121 Å²	121	142.4 Å²	142.4	85%	0.846	72%	0.72	S	S	*	*			trans	-118.3	86.1	-176	56.8	0	0	0	0	111.7
949	S	25.6	Very low	28.7	Very low	103 Å²	103	140 Å²	140	72%	0.72	71%	0.708	S	S	*	*			trans	-170.1	150.6	169	56	0	0	0	0	111.6
950	M	27.2	Very low	29.2	Very low	143 Å²	143	137.3 Å²	137.3	70%	0.704	70%	0.699	S	S	*	*			trans	87.1	127.1	-179.2	-60.8	-60.8	-179.9	0	0	116.7	D952	M950-D952 PolarHBondContact O-N 2.96Å
951	N	24.4	Very low	29.6	Very low	167 Å²	167	133 Å²	133	89%	0.893	68%	0.676	S	S	*	*			trans	-93.9	81.3	172.2	-72.3	-25.5	0	0	0	108.9	Q953	N951-Q953 PolarHBondContact O-N 3.37Å
952	D	28.9	Very low	30.1	Very low	132 Å²	132	128.4 Å²	128.4	71%	0.706	66%	0.659	S	S	*	*			trans	-67.7	129.6	175.1	-79.9	-22.8	0	0	0	111	M950 F954	M950-D952 PolarHBondContact O-N 2.96Å; D952-F954 PolarHBondContact O-N 2.95Å; D952-F954 VanDerWaalsContact O-N 3.09Å
953	Q	27.1	Very low	30.6	Very low	123 Å²	123	124.8 Å²	124.8	58%	0.575	64%	0.644	S	S	*	*			trans	-68.5	106.8	179.1	-70.3	177.2	-22.2	0	0	110.1	N951 I955	N951-Q953 PolarHBondContact O-N 3.37Å; Q953-I955 PolarHBondContact O-N 3.14Å
954	F	27.6	Very low	30.9	Very low	182 Å²	182	119.9 Å²	119.9	80%	0.798	62%	0.618	S	S	*	*			trans	-68.4	92.6	178.7	-116.7	-101.1	0	0	0	111.2	D952 P956	D952-F954 PolarHBondContact O-N 2.95Å; D952-F954 VanDerWaalsContact O-N 3.09Å; F954-P956 WeakPolarHBondContact O-CD 3.38Å
955	I	30.6	Very low	31.8	Very low	85 Å²	85	114.2 Å²	114.2	44%	0.436	60%	0.6	S	S	.	*			trans	-70.9	120.9	164.2	-60.2	176.5	0	0	0	107.5	Q953 K957 I1015	Q953-I955 PolarHBondContact O-N 3.14Å; I955-K957 PolarHBondContact O-N 2.67Å; I955-I1015 HydrophobicContact CD1-CG2 3.72Å
956	P	32.4	Very low	32.6	Very low	49 Å²	49	113.1 Å²	113.1	32%	0.318	59%	0.59	S	S	.	*			trans	-62.6	122.8	-178.5	-22	32.8	0	0	0	111.2	F954 Q958 L959	F954-P956 WeakPolarHBondContact O-CD 3.38Å; P956-Q958 PolarHBondContact O-N 2.7Å; P956-L959 HydrophobicContact CB-CD1 3.95Å; P956-L959 HydrophobicContact CG-CD1 4.22Å; P956-L959 PolarHBondContact O-N 3.2Å; P956-L959 VanDerWaalsContact O-N 3.16Å
957	K	29.1	Very low	33.5	Very low	173 Å²	173	113.7 Å²	113.7	75%	0.752	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-6.1	-171.3	-65.5	179	179.3	176.3	0	114.5	I955	I955-K957 PolarHBondContact O-N 2.67Å
958	Q	36.2	Very low	34.4	Very low	98 Å²	98	106.3 Å²	106.3	46%	0.458	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.6	-25.9	179.3	-72.2	143.5	-44.7	0	0	113.9	P956 C960 L961 L962	P956-Q958 PolarHBondContact O-N 2.7Å; Q958-C960 VanDerWaalsContact C-N 3.26Å; Q958-C960 PolarHBondContact O-N 2.9Å; Q958-L961 PolarHBondContact O-N 2.83Å; Q958-L962 PolarHBondContact O-N 2.56Å
959	L	35	Very low	35.4	Very low	107 Å²	107	105.8 Å²	105.8	56%	0.56	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.2	-176.4	-97.1	80.1	0	0	0	113.4	P956 P963	P956-L959 HydrophobicContact CB-CD1 3.95Å; P956-L959 HydrophobicContact CG-CD1 4.22Å; P956-L959 PolarHBondContact O-N 3.2Å; P956-L959 VanDerWaalsContact O-N 3.16Å; L959-P963 WeakPolarHBondContact O-CD 3.32Å
960	C	38	Very low	36.4	Very low	75 Å²	75	103.6 Å²	103.6	51%	0.507	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-22	178.2	-59.1	0	0	0	0	113.7	Q958 M964	Q958-C960 VanDerWaalsContact C-N 3.26Å; Q958-C960 PolarHBondContact O-N 2.9Å; C960-M964 WeakPolarHBondContact O-CG 3.18Å
961	L	37.1	Very low	37.6	Very low	68 Å²	68	98 Å²	98	36%	0.356	49%	0.49	S	S	.	.	H	α-helix	trans	-87.7	-34.2	-171.4	-95.6	150.7	0	0	0	113.6	M914 Q958 M964 I965	M914-L961 HydrophobicContact CE-CD2 4.4Å; Q958-L961 PolarHBondContact O-N 2.83Å; L961-M964 HydrophobicContact CD2-SD 4.39Å; L961-M964 WeakPolarHBondContact O-CB 3.36Å; L961-M964 PolarHBondContact O-N 3.14Å; L961-I965 VanDerWaalsContact O-CG1 3.31Å; L961-I965 WeakPolarHBondContact O-CG1 3.47Å; L961-I965 PolarHBondContact O-N 3.17Å
962	L	37.9	Very low	38.9	Very low	83 Å²	83	91.3 Å²	91.3	44%	0.435	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-46	176.7	-111.3	68.1	0	0	0	113.1	W695 Q958 M964 I965 H966	W695-L962 HydrophobicContact CZ2-CD1 3.76Å; W695-L962 HydrophobicContact CZ2-CD2 3.9Å; W695-L962 HydrophobicContact CZ2-CG 4.49Å; Q958-L962 PolarHBondContact O-N 2.56Å; L962-M964 VanDerWaalsContact C-N 3.31Å; L962-M964 PolarHBondContact O-N 2.98Å; L962-I965 PolarHBondContact O-N 2.97Å; L962-H966 WeakPolarHBondContact O-CB 3.42Å; L962-H966 PolarHBondContact O-N 3.01Å
963	P	38.8	Very low	39.9	Very low	80 Å²	80	88.6 Å²	88.6	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-38.3	173.1	-25.8	36	0	0	0	113	L959 W967	L959-P963 WeakPolarHBondContact O-CD 3.32Å; P963-W967 WeakPolarHBondContact O-CB 3.41Å; P963-W967 PolarHBondContact O-N 3.43Å
964	M	35.7	Very low	41.3	Very low	27 Å²	27	89.9 Å²	89.9	13%	0.133	45%	0.446	C	S	.	.	H	α-helix	trans	-60.4	-50.9	174.5	-73.2	176.1	69.4	0	0	112.1	C960 L961 L962 W967 N968 F1004 I1008	C960-M964 WeakPolarHBondContact O-CG 3.18Å; L961-M964 HydrophobicContact CD2-SD 4.39Å; L961-M964 WeakPolarHBondContact O-CB 3.36Å; L961-M964 PolarHBondContact O-N 3.14Å; L962-M964 VanDerWaalsContact C-N 3.31Å; L962-M964 PolarHBondContact O-N 2.98Å; M964-W967 PolarHBondContact O-N 2.99Å; M964-N968 WeakPolarHBondContact O-CB 3.19Å; M964-N968 PolarHBondContact O-N 2.84Å; M964-N968 PolarHBondContact O-ND2 3.03Å; M964-F1004 HydrophobicContact CE-CD1 4.31Å; M964-F1004 HydrophobicContact CE-CE1 3.67Å; M964-F1004 HydrophobicContact CE-CZ 4.42Å; M964-F1004 HydrophobicContact CG-CE1 3.53Å; M964-F1004 HydrophobicContact CG-CE2 4.23Å; M964-F1004 HydrophobicContact CG-CZ 3.27Å; M964-F1004 HydrophobicContact SD-CE1 3.58Å; M964-F1004 VanDerWaalsContact SD-CE1 3.58Å; M964-F1004 HydrophobicContact SD-CZ 3.91Å; M964-I1008 HydrophobicContact SD-CD1 4.45Å
965	I	47.1	Very low	42.4	Very low	72 Å²	72	82.7 Å²	82.7	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-45	-174.9	-66.5	162.3	0	0	0	110.1	L932 L961 L962 Y969	L932-I965 HydrophobicContact CD1-CG1 4.43Å; L961-I965 VanDerWaalsContact O-CG1 3.31Å; L961-I965 WeakPolarHBondContact O-CG1 3.47Å; L961-I965 PolarHBondContact O-N 3.17Å; L962-I965 PolarHBondContact O-N 2.97Å; I965-Y969 WeakPolarHBondContact O-CB 3.31Å; I965-Y969 PolarHBondContact O-N 2.69Å
966	H	43.3	Very low	43.5	Very low	133 Å²	133	79.1 Å²	79.1	62%	0.616	40%	0.398	S	S	*	.	H	α-helix	trans	-67	-44.1	178.1	-168	-100.6	0	0	0	112.3	L962 Y969 C970	L962-H966 WeakPolarHBondContact O-CB 3.42Å; L962-H966 PolarHBondContact O-N 3.01Å; H966-Y969 PolarHBondContact O-N 3.42Å; H966-C970 PolarHBondContact O-N 3.04Å; H966-C970 VanDerWaalsContact O-N 3.09Å; H966-C970 PolarHBondContact O-SG 3.3Å
967	W	45.5	Very low	44.4	Very low	157 Å²	157	80 Å²	80	60%	0.595	40%	0.403	S	S	*	.	H	α-helix	trans	-64.6	-44	177.5	-170.2	-71.1	0	0	0	111.9	P963 M964 Y969 C970 T971	P963-W967 WeakPolarHBondContact O-CB 3.41Å; P963-W967 PolarHBondContact O-N 3.43Å; M964-W967 PolarHBondContact O-N 2.99Å; W967-Y969 VanDerWaalsContact C-N 3.35Å; W967-Y969 PolarHBondContact O-N 2.84Å; W967-C970 PolarHBondContact O-N 3Å; W967-T971 PolarHBondContact NE1-OG1 2.8Å; W967-T971 VanDerWaalsContact NE1-OG1 3.07Å; W967-T971 VanDerWaalsContact O-CB 3.29Å; W967-T971 WeakPolarHBondContact O-CB 3.21Å; W967-T971 PolarHBondContact O-N 2.82Å; W967-T971 PolarHBondContact O-OG1 3.37Å
968	N	49.2	Very low	45.7	Very low	55 Å²	55	74.8 Å²	74.8	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-40.2	177.1	-73.9	-22.6	0	0	0	111.4	M964 T971 L972	M964-N968 WeakPolarHBondContact O-CB 3.19Å; M964-N968 PolarHBondContact O-N 2.84Å; M964-N968 PolarHBondContact O-ND2 3.03Å; N968-T971 PolarHBondContact O-N 2.74Å; N968-L972 VanDerWaalsContact O-CB 3.25Å; N968-L972 WeakPolarHBondContact O-CB 3.18Å; N968-L972 VanDerWaalsContact O-CG 3.24Å; N968-L972 WeakPolarHBondContact O-CG 3.3Å; N968-L972 PolarHBondContact O-N 3.43Å
969	Y	47	Very low	46.3	Very low	109 Å²	109	71 Å²	71	43%	0.427	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-49	176	-176.4	-106.7	0	0	0	112.3	F930 I965 H966 W967 N973	F930-Y969 AromaticContact CE1-CD2 3.88Å; F930-Y969 HydrophobicContact CE1-CD2 3.88Å; I965-Y969 WeakPolarHBondContact O-CB 3.31Å; I965-Y969 PolarHBondContact O-N 2.69Å; H966-Y969 PolarHBondContact O-N 3.42Å; W967-Y969 VanDerWaalsContact C-N 3.35Å; W967-Y969 PolarHBondContact O-N 2.84Å; Y969-N973 WeakPolarHBondContact O-CB 3.35Å; Y969-N973 PolarHBondContact O-N 3.15Å; Y969-N973 PolarHBondContact O-ND2 3.45Å
970	C	46.4	Very low	47.2	Very low	58 Å²	58	68.6 Å²	68.6	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-46.8	175.2	-64.8	0	0	0	0	112	H966 W967 N973 E974	H966-C970 PolarHBondContact O-N 3.04Å; H966-C970 VanDerWaalsContact O-N 3.09Å; H966-C970 PolarHBondContact O-SG 3.3Å; W967-C970 PolarHBondContact O-N 3Å; C970-N973 PolarHBondContact O-N 2.98Å; C970-E974 PolarHBondContact O-N 2.74Å
971	T	53.5	Low	48	Very low	25 Å²	25	73.4 Å²	73.4	15%	0.153	37%	0.369	C	S	.	.	H	α-helix	trans	-70.3	-37.4	-174.1	-50.5	0	0	0	0	112.5	W967 N968 E974 I975	W967-T971 PolarHBondContact NE1-OG1 2.8Å; W967-T971 VanDerWaalsContact NE1-OG1 3.07Å; W967-T971 VanDerWaalsContact O-CB 3.29Å; W967-T971 WeakPolarHBondContact O-CB 3.21Å; W967-T971 PolarHBondContact O-N 2.82Å; W967-T971 PolarHBondContact O-OG1 3.37Å; N968-T971 PolarHBondContact O-N 2.74Å; T971-E974 PolarHBondContact O-N 3.18Å; T971-I975 HydrophobicContact CG2-CD1 3.72Å; T971-I975 HydrophobicContact CG2-CG1 4.33Å; T971-I975 WeakPolarHBondContact O-CB 3.29Å; T971-I975 WeakPolarHBondContact O-CG1 3.34Å; T971-I975 PolarHBondContact O-N 3.11Å
972	L	50.1	Low	48.7	Very low	27 Å²	27	74.8 Å²	74.8	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-67.1	-37.9	175.3	-73.7	168.7	0	0	0	111.5	N968 E974 I975 V976 L997	N968-L972 VanDerWaalsContact O-CB 3.25Å; N968-L972 WeakPolarHBondContact O-CB 3.18Å; N968-L972 VanDerWaalsContact O-CG 3.24Å; N968-L972 WeakPolarHBondContact O-CG 3.3Å; N968-L972 PolarHBondContact O-N 3.43Å; L972-E974 VanDerWaalsContact C-N 3.27Å; L972-E974 PolarHBondContact O-N 3.26Å; L972-I975 PolarHBondContact O-N 2.76Å; L972-V976 WeakPolarHBondContact O-CB 3.45Å; L972-V976 VanDerWaalsContact O-CG2 3.31Å; L972-V976 WeakPolarHBondContact O-CG2 3.26Å; L972-V976 PolarHBondContact O-N 3.02Å; L972-L997 HydrophobicContact CD2-CD2 4.38Å
973	N	50.8	Low	48.9	Very low	75 Å²	75	81.1 Å²	81.1	40%	0.401	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-22.9	175.6	-75.9	-33.8	0	0	0	113.4	Y969 C970 P977	Y969-N973 WeakPolarHBondContact O-CB 3.35Å; Y969-N973 PolarHBondContact O-N 3.15Å; Y969-N973 PolarHBondContact O-ND2 3.45Å; C970-N973 PolarHBondContact O-N 2.98Å; N973-P977 WeakPolarHBondContact O-CD 3.43Å; N973-P977 VanDerWaalsContact O-CG 3.31Å; N973-P977 WeakPolarHBondContact O-CG 3.39Å
974	E	55.2	Low	49.5	Very low	150 Å²	150	82.9 Å²	82.9	70%	0.701	40%	0.402	S	S	*	.	H	α-helix	trans	-81.8	-45.1	169	-69.8	-177.1	162.1	0	0	112.3	C970 T971 L972	C970-E974 PolarHBondContact O-N 2.74Å; T971-E974 PolarHBondContact O-N 3.18Å; L972-E974 VanDerWaalsContact C-N 3.27Å; L972-E974 PolarHBondContact O-N 3.26Å
975	I	52.3	Low	50.4	Low	30 Å²	30	87.3 Å²	87.3	15%	0.154	43%	0.426	C	S	.	.	H	α-helix	trans	-72.8	-47.7	-173.9	-69.5	176.6	0	0	0	112.3	T971 L972 S978 L979 Y1000	T971-I975 HydrophobicContact CG2-CD1 3.72Å; T971-I975 HydrophobicContact CG2-CG1 4.33Å; T971-I975 WeakPolarHBondContact O-CB 3.29Å; T971-I975 WeakPolarHBondContact O-CG1 3.34Å; T971-I975 PolarHBondContact O-N 3.11Å; L972-I975 PolarHBondContact O-N 2.76Å; I975-S978 WeakPolarHBondContact O-CB 3.33Å; I975-S978 PolarHBondContact O-N 2.71Å; I975-S978 PolarHBondContact O-OG 2.66Å; I975-L979 HydrophobicContact CG2-CD1 3.62Å; I975-L979 HydrophobicContact CG2-CG 4.09Å; I975-L979 PolarHBondContact O-N 3.31Å; I975-Y1000 HydrophobicContact CD1-CD2 4.32Å; I975-Y1000 HydrophobicContact CD1-CE2 3.61Å
976	V	52.2	Low	50.6	Low	11 Å²	11	91.1 Å²	91.1	7%	0.067	44%	0.442	C	S	.	.	H	α-helix	trans	-60.2	-47.1	-171.3	172.3	0	0	0	0	112.3	F920 L972 S978 L979 F980	F920-V976 HydrophobicContact CE1-CG1 4.2Å; L972-V976 WeakPolarHBondContact O-CB 3.45Å; L972-V976 VanDerWaalsContact O-CG2 3.31Å; L972-V976 WeakPolarHBondContact O-CG2 3.26Å; L972-V976 PolarHBondContact O-N 3.02Å; V976-S978 VanDerWaalsContact C-N 3.26Å; V976-S978 PolarHBondContact O-N 3.23Å; V976-L979 PolarHBondContact O-N 3.09Å; V976-F980 HydrophobicContact CG1-CD2 3.72Å; V976-F980 HydrophobicContact CG1-CE2 3.74Å; V976-F980 WeakPolarHBondContact O-CD2 3.36Å; V976-F980 PolarHBondContact O-N 3.22Å; V976-F980 VanDerWaalsContact O-N 3.12Å
977	P	52.7	Low	51.1	Low	66 Å²	66	88.8 Å²	88.8	43%	0.429	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-24.7	175.8	-22.1	35.6	0	0	0	114	N973	N973-P977 WeakPolarHBondContact O-CD 3.43Å; N973-P977 VanDerWaalsContact O-CG 3.31Å; N973-P977 WeakPolarHBondContact O-CG 3.39Å
978	S	55.1	Low	51.6	Low	64 Å²	64	84.4 Å²	84.4	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-73.5	-35.1	174.2	80.2	0	0	0	0	112.4	I975 V976	I975-S978 WeakPolarHBondContact O-CB 3.33Å; I975-S978 PolarHBondContact O-N 2.71Å; I975-S978 PolarHBondContact O-OG 2.66Å; V976-S978 VanDerWaalsContact C-N 3.26Å; V976-S978 PolarHBondContact O-N 3.23Å
979	L	50.6	Low	51.8	Low	18 Å²	18	82.6 Å²	82.6	9%	0.094	42%	0.422	C	S	.	.	H	α-helix	trans	-73.8	-41.6	178.7	-70	175.8	0	0	0	111.7	I975 V976 K981 N982 L989 I993	I975-L979 HydrophobicContact CG2-CD1 3.62Å; I975-L979 HydrophobicContact CG2-CG 4.09Å; I975-L979 PolarHBondContact O-N 3.31Å; V976-L979 PolarHBondContact O-N 3.09Å; L979-K981 PolarHBondContact O-N 2.78Å; L979-N982 PolarHBondContact O-N 3.09Å; L979-N982 VanDerWaalsContact O-N 3.12Å; L979-L989 HydrophobicContact CB-CD1 3.84Å; L979-I993 HydrophobicContact CD1-CG1 3.63Å
980	F	52.4	Low	52.2	Low	57 Å²	57	80.6 Å²	80.6	25%	0.25	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.9	177.2	-87.9	-72.1	0	0	0	114.9	F920 N925 V976 N982 L989	F920-F980 HydrophobicContact CD1-CE2 4.26Å; F920-F980 HydrophobicContact CD1-CZ 4.28Å; F920-F980 AromaticContact CE1-CE2 3.75Å; F920-F980 HydrophobicContact CE1-CE2 3.75Å; F920-F980 HydrophobicContact CE1-CZ 4.08Å; F920-F980 HydrophobicContact CZ-CE2 4.25Å; F920-F980 HydrophobicContact CZ-CZ 4.44Å; N925-F980 HydrophobicContact CB-CD1 3.78Å; N925-F980 HydrophobicContact CB-CE1 3.76Å; N925-F980 HydrophobicContact CB-CG 4.23Å; N925-F980 HydrophobicContact CB-CZ 4.2Å; N925-F980 WeakPolarHBondContact O-CD2 3.33Å; N925-F980 WeakPolarHBondContact O-CE2 3.49Å; V976-F980 HydrophobicContact CG1-CD2 3.72Å; V976-F980 HydrophobicContact CG1-CE2 3.74Å; V976-F980 WeakPolarHBondContact O-CD2 3.36Å; V976-F980 PolarHBondContact O-N 3.22Å; V976-F980 VanDerWaalsContact O-N 3.12Å; F980-N982 VanDerWaalsContact C-N 3.3Å; F980-L989 HydrophobicContact CD1-CD2 4.08Å; F980-L989 HydrophobicContact CE1-CD2 3.66Å; F980-L989 HydrophobicContact CE2-CD2 4.49Å; F980-L989 HydrophobicContact CZ-CD2 3.89Å
981	K	55	Low	52.9	Low	176 Å²	176	81.4 Å²	81.4	77%	0.765	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.1	172.4	-79.5	-178.7	177.8	-177.2	0	113.2	L979	L979-K981 PolarHBondContact O-N 2.78Å
982	N	52.2	Low	53.1	Low	98 Å²	98	82 Å²	82	52%	0.524	43%	0.429	S	S	.	.	S	Bend	trans	-89.2	112.3	174.9	-65.2	-19	0	0	0	108.4	L979 F980 Q984	L979-N982 PolarHBondContact O-N 3.09Å; L979-N982 VanDerWaalsContact O-N 3.12Å; F980-N982 VanDerWaalsContact C-N 3.3Å; N982-Q984 VanDerWaalsContact C-N 3.29Å; N982-Q984 HydrophobicContact CB-CG 4.4Å; N982-Q984 PolarHBondContact O-N 3.37Å
983	K	42.5	Very low	53.3	Low	216 Å²	216	81.1 Å²	81.1	94%	0.939	43%	0.425	S	S	*	.			trans	-66.8	85.1	176.2	-69.6	-175.3	178.4	-178	0	110.5
984	Q	49.8	Very low	53.6	Low	116 Å²	116	82.2 Å²	82.2	54%	0.542	43%	0.426	S	S	.	.			trans	-124.8	147.7	177.2	-66.6	-172.6	-38.9	0	0	109.6	N982	N982-Q984 VanDerWaalsContact C-N 3.29Å; N982-Q984 HydrophobicContact CB-CG 4.4Å; N982-Q984 PolarHBondContact O-N 3.37Å
985	D	55.9	Low	54.1	Low	120 Å²	120	80.4 Å²	80.4	64%	0.642	42%	0.417	S	S	*	.			trans	-54.1	149.6	-177.7	-73.9	-56	0	0	0	113.1	S987 T988 L989	D985-S987 PolarHBondContact O-N 3.08Å; D985-T988 PolarHBondContact N-OG1 3.29Å; D985-T988 PolarHBondContact O-N 3.18Å; D985-T988 PolarHBondContact O-OG1 2.93Å; D985-L989 WeakPolarHBondContact O-CB 3.39Å; D985-L989 PolarHBondContact O-N 3.25Å
986	Q	51	Low	54.3	Low	152 Å²	152	82.1 Å²	82.1	71%	0.71	43%	0.425	S	S	*	.	H	α-helix	trans	-54	-32.8	178.5	-69.7	-171.6	-11.4	0	0	112.9	I990	Q986-I990 VanDerWaalsContact O-CB 3.24Å; Q986-I990 WeakPolarHBondContact O-CB 3.38Å; Q986-I990 WeakPolarHBondContact O-CD1 3.42Å; Q986-I990 WeakPolarHBondContact O-CG1 3.46Å; Q986-I990 PolarHBondContact O-N 3.35Å
987	S	53.2	Low	54.3	Low	84 Å²	84	82.8 Å²	82.8	59%	0.587	43%	0.428	S	S	*	.	H	α-helix	trans	-67.5	-44.4	175.8	55	0	0	0	0	113	D985 S991	D985-S987 PolarHBondContact O-N 3.08Å; S987-S991 WeakPolarHBondContact O-CB 3.47Å; S987-S991 PolarHBondContact O-N 2.95Å
988	T	56.1	Low	54.7	Low	65 Å²	65	82.1 Å²	82.1	40%	0.399	42%	0.42	S	S	.	.	H	α-helix	trans	-75.2	-34.4	178.5	53.2	0	0	0	0	111.5	D985 S991 S992	D985-T988 PolarHBondContact N-OG1 3.29Å; D985-T988 PolarHBondContact O-N 3.18Å; D985-T988 PolarHBondContact O-OG1 2.93Å; T988-S991 PolarHBondContact O-N 3.13Å; T988-S992 VanDerWaalsContact O-CB 3.25Å; T988-S992 WeakPolarHBondContact O-CB 3.47Å; T988-S992 PolarHBondContact O-N 3.03Å
989	L	53.2	Low	55	Low	18 Å²	18	82.8 Å²	82.8	9%	0.094	42%	0.418	C	S	.	.	H	α-helix	trans	-60.9	-49.1	169.6	-177.8	64.1	0	0	0	111.5	L979 F980 D985 S991 S992 I993	L979-L989 HydrophobicContact CB-CD1 3.84Å; F980-L989 HydrophobicContact CD1-CD2 4.08Å; F980-L989 HydrophobicContact CE1-CD2 3.66Å; F980-L989 HydrophobicContact CE2-CD2 4.49Å; F980-L989 HydrophobicContact CZ-CD2 3.89Å; D985-L989 WeakPolarHBondContact O-CB 3.39Å; D985-L989 PolarHBondContact O-N 3.25Å; L989-S991 PolarHBondContact O-N 3.04Å; L989-S992 PolarHBondContact O-N 3.21Å; L989-I993 HydrophobicContact CD1-CD1 4.1Å; L989-I993 HydrophobicContact CD1-CG1 4.47Å; L989-I993 HydrophobicContact CG-CD1 3.95Å; L989-I993 WeakPolarHBondContact O-CB 3.28Å; L989-I993 VanDerWaalsContact O-CG1 3.27Å; L989-I993 WeakPolarHBondContact O-CG1 3.49Å; L989-I993 PolarHBondContact O-N 3.43Å
990	I	55.6	Low	55	Low	67 Å²	67	87.1 Å²	87.1	34%	0.344	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-44	175.4	-76.9	166.4	0	0	0	111.2	I904 Q986 I993 K994	I904-I990 HydrophobicContact CG2-CG1 4.45Å; I904-I990 HydrophobicContact CG2-CG2 4.2Å; Q986-I990 VanDerWaalsContact O-CB 3.24Å; Q986-I990 WeakPolarHBondContact O-CB 3.38Å; Q986-I990 WeakPolarHBondContact O-CD1 3.42Å; Q986-I990 WeakPolarHBondContact O-CG1 3.46Å; Q986-I990 PolarHBondContact O-N 3.35Å; I990-I993 PolarHBondContact O-N 2.82Å; I990-K994 VanDerWaalsContact O-CB 3.28Å; I990-K994 WeakPolarHBondContact O-CB 3.48Å; I990-K994 PolarHBondContact O-N 2.94Å
991	S	61.7	Low	54.9	Low	75 Å²	75	85.9 Å²	85.9	52%	0.524	43%	0.43	S	S	.	.	H	α-helix	trans	-61.9	-45	176.9	-168.5	0	0	0	0	111.7	S987 T988 L989 K994 Q995	S987-S991 WeakPolarHBondContact O-CB 3.47Å; S987-S991 PolarHBondContact O-N 2.95Å; T988-S991 PolarHBondContact O-N 3.13Å; L989-S991 PolarHBondContact O-N 3.04Å; S991-K994 PolarHBondContact O-N 2.99Å; S991-Q995 VanDerWaalsContact O-CB 3.28Å; S991-Q995 WeakPolarHBondContact O-CB 3.48Å; S991-Q995 PolarHBondContact O-N 3.3Å
992	S	57.3	Low	55	Low	36 Å²	36	81.1 Å²	81.1	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-46.9	176.4	-173.6	0	0	0	0	112.1	T988 L989 K994 Q995 Q996	T988-S992 VanDerWaalsContact O-CB 3.25Å; T988-S992 WeakPolarHBondContact O-CB 3.47Å; T988-S992 PolarHBondContact O-N 3.03Å; L989-S992 PolarHBondContact O-N 3.21Å; S992-K994 PolarHBondContact O-N 3.49Å; S992-Q995 PolarHBondContact O-N 3.47Å; S992-Q996 WeakPolarHBondContact O-CB 3.42Å; S992-Q996 WeakPolarHBondContact O-CG 3.34Å; S992-Q996 PolarHBondContact O-N 3.08Å
993	I	55.1	Low	55.2	Low	10 Å²	10	82.5 Å²	82.5	5%	0.051	42%	0.415	C	S	.	.	H	α-helix	trans	-58.7	-47.9	174.9	-71.5	167.9	0	0	0	110.6	L918 L979 L989 I990 Q996 L997	L918-I993 HydrophobicContact CD1-CG2 4.41Å; L979-I993 HydrophobicContact CD1-CG1 3.63Å; L989-I993 HydrophobicContact CD1-CD1 4.1Å; L989-I993 HydrophobicContact CD1-CG1 4.47Å; L989-I993 HydrophobicContact CG-CD1 3.95Å; L989-I993 WeakPolarHBondContact O-CB 3.28Å; L989-I993 VanDerWaalsContact O-CG1 3.27Å; L989-I993 WeakPolarHBondContact O-CG1 3.49Å; L989-I993 PolarHBondContact O-N 3.43Å; I990-I993 PolarHBondContact O-N 2.82Å; I993-Q996 PolarHBondContact O-N 3.11Å; I993-L997 HydrophobicContact CG2-CD1 3.85Å; I993-L997 HydrophobicContact CG2-CG 4.49Å; I993-L997 WeakPolarHBondContact O-CB 3.46Å; I993-L997 WeakPolarHBondContact O-CG 3.25Å; I993-L997 PolarHBondContact O-N 3.41Å
994	K	57.3	Low	55.5	Low	97 Å²	97	75 Å²	75	42%	0.422	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-43.9	178.9	-174.7	174	179.4	179.7	0	111.7	I990 S991 S992 L997 I998	I990-K994 VanDerWaalsContact O-CB 3.28Å; I990-K994 WeakPolarHBondContact O-CB 3.48Å; I990-K994 PolarHBondContact O-N 2.94Å; S991-K994 PolarHBondContact O-N 2.99Å; S992-K994 PolarHBondContact O-N 3.49Å; K994-L997 PolarHBondContact O-N 2.79Å; K994-I998 HydrophobicContact CG-CD1 3.94Å; K994-I998 WeakPolarHBondContact O-CB 3.21Å; K994-I998 VanDerWaalsContact O-CG1 3.27Å; K994-I998 WeakPolarHBondContact O-CG1 3.44Å; K994-I998 PolarHBondContact O-N 2.8Å
995	Q	64.5	Low	55.4	Low	112 Å²	112	71.7 Å²	71.7	52%	0.523	37%	0.367	S	S	.	.	H	α-helix	trans	-69.6	-34.9	179.5	-163.7	69.6	-11.6	0	0	112.3	S991 S992 N999	S991-Q995 VanDerWaalsContact O-CB 3.28Å; S991-Q995 WeakPolarHBondContact O-CB 3.48Å; S991-Q995 PolarHBondContact O-N 3.3Å; S992-Q995 PolarHBondContact O-N 3.47Å; Q995-N999 WeakPolarHBondContact O-CB 3.25Å; Q995-N999 PolarHBondContact O-N 2.84Å; Q995-N999 PolarHBondContact O-ND2 2.88Å
996	Q	57	Low	55.2	Low	66 Å²	66	70.4 Å²	70.4	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-45.5	171.4	-72.2	-168	24.6	0	0	111.7	S992 I993 I998 N999 Y1000	S992-Q996 WeakPolarHBondContact O-CB 3.42Å; S992-Q996 WeakPolarHBondContact O-CG 3.34Å; S992-Q996 PolarHBondContact O-N 3.08Å; I993-Q996 PolarHBondContact O-N 3.11Å; Q996-I998 PolarHBondContact O-N 2.84Å; Q996-N999 PolarHBondContact O-N 2.7Å; Q996-Y1000 VanDerWaalsContact O-CD2 3.28Å; Q996-Y1000 WeakPolarHBondContact O-CD2 3.46Å; Q996-Y1000 PolarHBondContact O-N 3.19Å
997	L	52.8	Low	55	Low	25 Å²	25	66 Å²	66	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-57.1	-47.7	175.2	-81.2	169.1	0	0	0	111.6	A905 I916 L972 I993 K994 N999 Y1000 L1001	A905-L997 HydrophobicContact CB-CD1 4.36Å; I916-L997 HydrophobicContact CD1-CD1 4.47Å; I916-L997 HydrophobicContact CD1-CD2 4.45Å; L972-L997 HydrophobicContact CD2-CD2 4.38Å; I993-L997 HydrophobicContact CG2-CD1 3.85Å; I993-L997 HydrophobicContact CG2-CG 4.49Å; I993-L997 WeakPolarHBondContact O-CB 3.46Å; I993-L997 WeakPolarHBondContact O-CG 3.25Å; I993-L997 PolarHBondContact O-N 3.41Å; K994-L997 PolarHBondContact O-N 2.79Å; L997-N999 PolarHBondContact O-N 3.26Å; L997-Y1000 PolarHBondContact O-N 3.4Å; L997-L1001 VanDerWaalsContact O-CB 3.29Å; L997-L1001 WeakPolarHBondContact O-CB 3.49Å; L997-L1001 WeakPolarHBondContact O-CD1 3Å; L997-L1001 VanDerWaalsContact O-CG 3.3Å; L997-L1001 WeakPolarHBondContact O-CG 3.49Å; L997-L1001 PolarHBondContact O-N 2.97Å
998	I	60.7	Low	54.5	Low	53 Å²	53	64.2 Å²	64.2	27%	0.272	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.6	-69.7	166	0	0	0	110.8	K994 Q996 Y1000 L1001 N1002	K994-I998 HydrophobicContact CG-CD1 3.94Å; K994-I998 WeakPolarHBondContact O-CB 3.21Å; K994-I998 VanDerWaalsContact O-CG1 3.27Å; K994-I998 WeakPolarHBondContact O-CG1 3.44Å; K994-I998 PolarHBondContact O-N 2.8Å; Q996-I998 PolarHBondContact O-N 2.84Å; I998-Y1000 VanDerWaalsContact C-N 3.35Å; I998-Y1000 PolarHBondContact O-N 2.92Å; I998-L1001 PolarHBondContact O-N 2.84Å; I998-N1002 VanDerWaalsContact O-CB 3.28Å; I998-N1002 WeakPolarHBondContact O-CB 3.33Å; I998-N1002 PolarHBondContact O-N 2.88Å; I998-N1002 PolarHBondContact O-OD1 3.25Å
999	N	61	Low	54.1	Low	77 Å²	77	66 Å²	66	41%	0.412	33%	0.326	S	S	.	.	H	α-helix	trans	-65.6	-33.5	177.2	-83.6	-56.6	0	0	0	113.6	Q995 Q996 L997 K1003	Q995-N999 WeakPolarHBondContact O-CB 3.25Å; Q995-N999 PolarHBondContact O-N 2.84Å; Q995-N999 PolarHBondContact O-ND2 2.88Å; Q996-N999 PolarHBondContact O-N 2.7Å; L997-N999 PolarHBondContact O-N 3.26Å; N999-K1003 WeakPolarHBondContact O-CD 3.49Å; N999-K1003 WeakPolarHBondContact O-CG 3.46Å; N999-K1003 PolarHBondContact O-N 2.62Å
1000	Y	51.1	Low	53.7	Low	110 Å²	110	70.1 Å²	70.1	43%	0.431	35%	0.347	S	S	.	.	H	α-helix	trans	-74.7	-41.5	173.6	-84.9	-68.6	0	0	0	112	I975 Q996 L997 I998 K1003 F1004	I975-Y1000 HydrophobicContact CD1-CD2 4.32Å; I975-Y1000 HydrophobicContact CD1-CE2 3.61Å; Q996-Y1000 VanDerWaalsContact O-CD2 3.28Å; Q996-Y1000 WeakPolarHBondContact O-CD2 3.46Å; Q996-Y1000 PolarHBondContact O-N 3.19Å; L997-Y1000 PolarHBondContact O-N 3.4Å; I998-Y1000 VanDerWaalsContact C-N 3.35Å; I998-Y1000 PolarHBondContact O-N 2.92Å; Y1000-K1003 WeakPolarHBondContact O-CB 3.35Å; Y1000-K1003 PolarHBondContact O-N 3.24Å; Y1000-F1004 VanDerWaalsContact O-CB 3.24Å; Y1000-F1004 WeakPolarHBondContact O-CB 3.37Å; Y1000-F1004 PolarHBondContact O-N 3.38Å
1001	L	50.9	Low	53.1	Low	30 Å²	30	70.6 Å²	70.6	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-36.2	178.2	-71.9	162	0	0	0	111.5	I907 L997 I998 F1004 E1005	I907-L1001 HydrophobicContact CB-CD1 4.08Å; I907-L1001 HydrophobicContact CD1-CD1 3.66Å; I907-L1001 HydrophobicContact CG1-CD1 3.6Å; I907-L1001 HydrophobicContact CG2-CD1 3.98Å; L997-L1001 VanDerWaalsContact O-CB 3.29Å; L997-L1001 WeakPolarHBondContact O-CB 3.49Å; L997-L1001 WeakPolarHBondContact O-CD1 3Å; L997-L1001 VanDerWaalsContact O-CG 3.3Å; L997-L1001 WeakPolarHBondContact O-CG 3.49Å; L997-L1001 PolarHBondContact O-N 2.97Å; I998-L1001 PolarHBondContact O-N 2.84Å; L1001-F1004 CarbonylContact O-C 3.57Å; L1001-F1004 PolarHBondContact O-N 2.95Å; L1001-E1005 WeakPolarHBondContact O-CB 3.36Å; L1001-E1005 PolarHBondContact O-N 3.13Å
1002	N	57	Low	52.1	Low	77 Å²	77	71 Å²	71	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-38.9	171	-70.4	-8.9	0	0	0	112.1	I998 F1004 N1006	I998-N1002 VanDerWaalsContact O-CB 3.28Å; I998-N1002 WeakPolarHBondContact O-CB 3.33Å; I998-N1002 PolarHBondContact O-N 2.88Å; I998-N1002 PolarHBondContact O-OD1 3.25Å; N1002-F1004 VanDerWaalsContact C-N 3.31Å; N1002-N1006 WeakPolarHBondContact O-CB 3.3Å; N1002-N1006 PolarHBondContact O-N 2.63Å; N1002-N1006 VanDerWaalsContact O-N 3.07Å; N1002-N1006 PolarHBondContact O-ND2 2.78Å
1003	K	54.9	Low	51.4	Low	127 Å²	127	74.1 Å²	74.1	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-64.1	-38.4	171.6	-74.2	165.4	-171.8	168.1	0	111.5	N999 Y1000 M1007	N999-K1003 WeakPolarHBondContact O-CD 3.49Å; N999-K1003 WeakPolarHBondContact O-CG 3.46Å; N999-K1003 PolarHBondContact O-N 2.62Å; Y1000-K1003 WeakPolarHBondContact O-CB 3.35Å; Y1000-K1003 PolarHBondContact O-N 3.24Å; K1003-M1007 PolarHBondContact O-N 3.01Å
1004	F	49.8	Very low	50.7	Low	57 Å²	57	77.2 Å²	77.2	25%	0.25	37%	0.374	C	S	.	.	H	α-helix	trans	-77.8	-36.3	-177.1	-171.7	-95.4	0	0	0	112.7	M964 Y1000 L1001 N1002 N1006 M1007 I1008	M964-F1004 HydrophobicContact CE-CD1 4.31Å; M964-F1004 HydrophobicContact CE-CE1 3.67Å; M964-F1004 HydrophobicContact CE-CZ 4.42Å; M964-F1004 HydrophobicContact CG-CE1 3.53Å; M964-F1004 HydrophobicContact CG-CE2 4.23Å; M964-F1004 HydrophobicContact CG-CZ 3.27Å; M964-F1004 HydrophobicContact SD-CE1 3.58Å; M964-F1004 VanDerWaalsContact SD-CE1 3.58Å; M964-F1004 HydrophobicContact SD-CZ 3.91Å; Y1000-F1004 VanDerWaalsContact O-CB 3.24Å; Y1000-F1004 WeakPolarHBondContact O-CB 3.37Å; Y1000-F1004 PolarHBondContact O-N 3.38Å; L1001-F1004 CarbonylContact O-C 3.57Å; L1001-F1004 PolarHBondContact O-N 2.95Å; N1002-F1004 VanDerWaalsContact C-N 3.31Å; F1004-N1006 VanDerWaalsContact C-N 3.35Å; F1004-M1007 HydrophobicContact CD2-CE 3.82Å; F1004-M1007 HydrophobicContact CE2-CE 3.4Å; F1004-M1007 HydrophobicContact CZ-CE 4.17Å; F1004-M1007 CarbonylContact O-C 3.57Å; F1004-M1007 WeakPolarHBondContact O-CA 3.42Å; F1004-M1007 WeakPolarHBondContact O-CB 3.4Å; F1004-M1007 PolarHBondContact O-N 2.79Å; F1004-M1007 VanDerWaalsContact O-N 3.13Å; F1004-I1008 HydrophobicContact CD1-CD1 4.08Å; F1004-I1008 HydrophobicContact CD1-CG1 4.32Å; F1004-I1008 HydrophobicContact CE1-CD1 3.28Å; F1004-I1008 HydrophobicContact CE1-CG1 3.75Å; F1004-I1008 HydrophobicContact CZ-CD1 3.81Å; F1004-I1008 HydrophobicContact CZ-CG1 4.01Å; F1004-I1008 PolarHBondContact O-N 2.82Å
1005	E	47	Very low	49.9	Very low	48 Å²	48	76 Å²	76	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-66.3	-38.1	170.3	-168.6	-169.1	146.9	0	0	110.4	V909 L1001 M1007 I1008 K1009	V909-E1005 HydrophobicContact CG1-CG 4.42Å; L1001-E1005 WeakPolarHBondContact O-CB 3.36Å; L1001-E1005 PolarHBondContact O-N 3.13Å; E1005-M1007 VanDerWaalsContact C-N 3.33Å; E1005-I1008 PolarHBondContact O-N 2.65Å; E1005-K1009 HydrophobicContact CG-CD 4.37Å; E1005-K1009 VanDerWaalsContact O-CB 3.28Å; E1005-K1009 WeakPolarHBondContact O-CB 3.28Å; E1005-K1009 VanDerWaalsContact O-CG 3.32Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.7Å; E1005-K1009 WeakPolarHBondContact OE1-CE 3.42Å; E1005-K1009 IonicContact OE1-NZ 3.83Å; E1005-K1009 PolarHBondContact OE1-NZ 3Å
1006	N	52.5	Low	48.7	Very low	92 Å²	92	74.3 Å²	74.3	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-33.9	169.4	-78	-60.9	0	0	0	112.3	N1002 F1004 N1010	N1002-N1006 WeakPolarHBondContact O-CB 3.3Å; N1002-N1006 PolarHBondContact O-N 2.63Å; N1002-N1006 VanDerWaalsContact O-N 3.07Å; N1002-N1006 PolarHBondContact O-ND2 2.78Å; F1004-N1006 VanDerWaalsContact C-N 3.35Å; N1006-N1010 VanDerWaalsContact O-CB 3.27Å; N1006-N1010 WeakPolarHBondContact O-CB 3.32Å; N1006-N1010 PolarHBondContact O-N 3.48Å; N1006-N1010 PolarHBondContact O-ND2 3.49Å; N1006-N1010 PolarHBondContact O-OD1 3.15Å
1007	M	46	Very low	47.9	Very low	60 Å²	60	78 Å²	78	30%	0.296	38%	0.378	S	S	.	.	H	α-helix	trans	-67.9	-42.1	173	-164.6	-170.6	80.4	0	0	111.7	K1003 F1004 E1005 N1010 Q1011	K1003-M1007 PolarHBondContact O-N 3.01Å; F1004-M1007 HydrophobicContact CD2-CE 3.82Å; F1004-M1007 HydrophobicContact CE2-CE 3.4Å; F1004-M1007 HydrophobicContact CZ-CE 4.17Å; F1004-M1007 CarbonylContact O-C 3.57Å; F1004-M1007 WeakPolarHBondContact O-CA 3.42Å; F1004-M1007 WeakPolarHBondContact O-CB 3.4Å; F1004-M1007 PolarHBondContact O-N 2.79Å; F1004-M1007 VanDerWaalsContact O-N 3.13Å; E1005-M1007 VanDerWaalsContact C-N 3.33Å; M1007-N1010 PolarHBondContact O-N 2.86Å; M1007-Q1011 WeakPolarHBondContact O-CB 3.47Å; M1007-Q1011 WeakPolarHBondContact O-CG 3.45Å; M1007-Q1011 PolarHBondContact O-N 2.81Å
1008	I	43.7	Very low	47.3	Very low	47 Å²	47	83.1 Å²	83.1	24%	0.241	40%	0.396	C	S	.	.	H	α-helix	trans	-67.6	-43.1	174.2	-80.2	-169.9	0	0	0	111	M964 F1004 E1005 N1010 Q1011 I1012	M964-I1008 HydrophobicContact SD-CD1 4.45Å; F1004-I1008 HydrophobicContact CD1-CD1 4.08Å; F1004-I1008 HydrophobicContact CD1-CG1 4.32Å; F1004-I1008 HydrophobicContact CE1-CD1 3.28Å; F1004-I1008 HydrophobicContact CE1-CG1 3.75Å; F1004-I1008 HydrophobicContact CZ-CD1 3.81Å; F1004-I1008 HydrophobicContact CZ-CG1 4.01Å; F1004-I1008 PolarHBondContact O-N 2.82Å; E1005-I1008 PolarHBondContact O-N 2.65Å; I1008-N1010 VanDerWaalsContact C-N 3.28Å; I1008-N1010 PolarHBondContact O-N 3.16Å; I1008-Q1011 CarbonylContact O-C 3.39Å; I1008-Q1011 PolarHBondContact O-N 3.02Å; I1008-Q1011 VanDerWaalsContact O-N 3.16Å; I1008-I1012 HydrophobicContact CG2-CD1 3.52Å; I1008-I1012 HydrophobicContact CG2-CG1 4.07Å; I1008-I1012 VanDerWaalsContact O-CB 3.32Å; I1008-I1012 WeakPolarHBondContact O-CB 3.46Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.17Å; I1008-I1012 PolarHBondContact O-N 2.97Å
1009	K	46.7	Very low	46.4	Very low	103 Å²	103	82.7 Å²	82.7	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-60.4	-40.7	173.6	-79.4	174	175.8	167.9	0	110.9	E1005 N1013	E1005-K1009 HydrophobicContact CG-CD 4.37Å; E1005-K1009 VanDerWaalsContact O-CB 3.28Å; E1005-K1009 WeakPolarHBondContact O-CB 3.28Å; E1005-K1009 VanDerWaalsContact O-CG 3.32Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.7Å; E1005-K1009 WeakPolarHBondContact OE1-CE 3.42Å; E1005-K1009 IonicContact OE1-NZ 3.83Å; E1005-K1009 PolarHBondContact OE1-NZ 3Å; K1009-N1013 WeakPolarHBondContact O-CB 3.02Å; K1009-N1013 PolarHBondContact O-N 2.77Å; K1009-N1013 PolarHBondContact O-ND2 3.44Å; K1009-N1013 PolarHBondContact O-OD1 3.08Å
1010	N	45.8	Very low	45.1	Very low	103 Å²	103	83.7 Å²	83.7	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-67	-39.9	173.4	-71.5	-9.8	0	0	0	112.2	N1006 M1007 I1008 L1014	N1006-N1010 VanDerWaalsContact O-CB 3.27Å; N1006-N1010 WeakPolarHBondContact O-CB 3.32Å; N1006-N1010 PolarHBondContact O-N 3.48Å; N1006-N1010 PolarHBondContact O-ND2 3.49Å; N1006-N1010 PolarHBondContact O-OD1 3.15Å; M1007-N1010 PolarHBondContact O-N 2.86Å; I1008-N1010 VanDerWaalsContact C-N 3.28Å; I1008-N1010 PolarHBondContact O-N 3.16Å; N1010-L1014 VanDerWaalsContact O-CB 3.29Å; N1010-L1014 WeakPolarHBondContact O-CB 3.47Å; N1010-L1014 PolarHBondContact O-N 3.23Å
1011	Q	41.9	Very low	44.7	Very low	78 Å²	78	81.1 Å²	81.1	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-72	-36.5	176.8	-77.2	-173.3	-52.5	0	0	113.2	M1007 I1008 L1014 I1015 N1061	M1007-Q1011 WeakPolarHBondContact O-CB 3.47Å; M1007-Q1011 WeakPolarHBondContact O-CG 3.45Å; M1007-Q1011 PolarHBondContact O-N 2.81Å; I1008-Q1011 CarbonylContact O-C 3.39Å; I1008-Q1011 PolarHBondContact O-N 3.02Å; I1008-Q1011 VanDerWaalsContact O-N 3.16Å; Q1011-L1014 PolarHBondContact O-N 2.86Å; Q1011-I1015 VanDerWaalsContact O-CB 3.29Å; Q1011-I1015 WeakPolarHBondContact O-CB 3.19Å; Q1011-I1015 WeakPolarHBondContact O-CD1 3.44Å; Q1011-I1015 WeakPolarHBondContact O-CG1 3.19Å; Q1011-I1015 PolarHBondContact O-N 2.68Å; Q1011-N1061 PolarHBondContact NE2-ND2 3.05Å
1012	I	41.5	Very low	44.2	Very low	83 Å²	83	81.9 Å²	81.9	43%	0.426	40%	0.4	S	S	.	.	H	α-helix	trans	-69.7	-39.9	172.7	-70.9	176.5	0	0	0	109.5	I1008 L1014 I1015 N1016	I1008-I1012 HydrophobicContact CG2-CD1 3.52Å; I1008-I1012 HydrophobicContact CG2-CG1 4.07Å; I1008-I1012 VanDerWaalsContact O-CB 3.32Å; I1008-I1012 WeakPolarHBondContact O-CB 3.46Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.17Å; I1008-I1012 PolarHBondContact O-N 2.97Å; I1012-L1014 VanDerWaalsContact C-N 3.31Å; I1012-L1014 PolarHBondContact O-N 3.47Å; I1012-I1015 PolarHBondContact O-N 2.86Å; I1012-N1016 WeakPolarHBondContact O-CA 3.4Å; I1012-N1016 WeakPolarHBondContact O-CB 3.32Å; I1012-N1016 PolarHBondContact O-N 3.5Å; I1012-N1016 PolarHBondContact O-OD1 3.23Å
1013	N	42.7	Very low	43.1	Very low	101 Å²	101	82.3 Å²	82.3	54%	0.54	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-37.2	171.4	-72.1	-9	0	0	0	111.2	K1009 Y1017	K1009-N1013 WeakPolarHBondContact O-CB 3.02Å; K1009-N1013 PolarHBondContact O-N 2.77Å; K1009-N1013 PolarHBondContact O-ND2 3.44Å; K1009-N1013 PolarHBondContact O-OD1 3.08Å; N1013-Y1017 WeakPolarHBondContact O-CB 3.25Å; N1013-Y1017 PolarHBondContact O-N 3.14Å
1014	L	39.9	Very low	42.2	Very low	76 Å²	76	82.3 Å²	82.3	40%	0.398	40%	0.402	S	S	.	.	H	α-helix	trans	-69.2	-43.9	175.8	-151.8	79.1	0	0	0	111.8	N1010 Q1011 I1012 Y1017 Y1018	N1010-L1014 VanDerWaalsContact O-CB 3.29Å; N1010-L1014 WeakPolarHBondContact O-CB 3.47Å; N1010-L1014 PolarHBondContact O-N 3.23Å; Q1011-L1014 PolarHBondContact O-N 2.86Å; I1012-L1014 VanDerWaalsContact C-N 3.31Å; I1012-L1014 PolarHBondContact O-N 3.47Å; L1014-Y1017 PolarHBondContact O-N 3.1Å; L1014-Y1018 HydrophobicContact CD2-CE2 3.97Å; L1014-Y1018 HydrophobicContact CG-CD2 4.1Å; L1014-Y1018 HydrophobicContact CG-CE2 3.78Å; L1014-Y1018 WeakPolarHBondContact O-CD2 3.35Å; L1014-Y1018 PolarHBondContact O-N 2.89Å
1015	I	41	Very low	41.6	Very low	70 Å²	70	83.7 Å²	83.7	36%	0.359	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-43.8	176.4	-72.7	164.1	0	0	0	110.2	I955 Q1011 I1012 Y1017 Y1018 L1019	I955-I1015 HydrophobicContact CD1-CG2 3.72Å; Q1011-I1015 VanDerWaalsContact O-CB 3.29Å; Q1011-I1015 WeakPolarHBondContact O-CB 3.19Å; Q1011-I1015 WeakPolarHBondContact O-CD1 3.44Å; Q1011-I1015 WeakPolarHBondContact O-CG1 3.19Å; Q1011-I1015 PolarHBondContact O-N 2.68Å; I1012-I1015 PolarHBondContact O-N 2.86Å; I1015-Y1017 VanDerWaalsContact C-N 3.32Å; I1015-Y1017 PolarHBondContact O-N 2.84Å; I1015-Y1018 CarbonylContact O-C 3.47Å; I1015-Y1018 PolarHBondContact O-N 3.06Å; I1015-L1019 HydrophobicContact CG2-CD1 4.19Å; I1015-L1019 WeakPolarHBondContact O-CB 3.13Å; I1015-L1019 PolarHBondContact O-N 3.13Å
1016	N	37.8	Very low	41.1	Very low	78 Å²	78	86.5 Å²	86.5	42%	0.417	43%	0.429	S	S	.	.	H	α-helix	trans	-67.9	-30.8	174.8	-69.7	-5.1	0	0	0	111.9	I1012 L1020	I1012-N1016 WeakPolarHBondContact O-CA 3.4Å; I1012-N1016 WeakPolarHBondContact O-CB 3.32Å; I1012-N1016 PolarHBondContact O-N 3.5Å; I1012-N1016 PolarHBondContact O-OD1 3.23Å; N1016-L1020 WeakPolarHBondContact O-CB 3.04Å; N1016-L1020 VanDerWaalsContact O-CG 3.32Å; N1016-L1020 WeakPolarHBondContact O-CG 3.49Å; N1016-L1020 PolarHBondContact O-N 3.15Å
1017	Y	40.4	Very low	40.2	Very low	143 Å²	143	88.3 Å²	88.3	56%	0.561	43%	0.434	S	S	*	.	H	α-helix	trans	-69.8	-43.1	172.3	179.1	-101.8	0	0	0	111	N1013 L1014 I1015 L1020 I1021	N1013-Y1017 WeakPolarHBondContact O-CB 3.25Å; N1013-Y1017 PolarHBondContact O-N 3.14Å; L1014-Y1017 PolarHBondContact O-N 3.1Å; I1015-Y1017 VanDerWaalsContact C-N 3.32Å; I1015-Y1017 PolarHBondContact O-N 2.84Å; Y1017-L1020 PolarHBondContact O-N 3.29Å; Y1017-I1021 HydrophobicContact CD1-CD1 3.8Å; Y1017-I1021 HydrophobicContact CD2-CD1 4.46Å; Y1017-I1021 HydrophobicContact CE1-CD1 3.38Å; Y1017-I1021 HydrophobicContact CE2-CD1 4.1Å; Y1017-I1021 HydrophobicContact CG-CD1 4.33Å; Y1017-I1021 WeakPolarHBondContact O-CB 3.43Å; Y1017-I1021 WeakPolarHBondContact O-CG1 3.5Å; Y1017-I1021 PolarHBondContact O-N 3.2Å
1018	Y	41.4	Very low	39.6	Very low	133 Å²	133	91.7 Å²	91.7	52%	0.522	45%	0.453	S	S	.	.	H	α-helix	trans	-68.5	-34.7	172.1	-75.9	-59	0	0	0	112.9	L1014 I1015 S1022	L1014-Y1018 HydrophobicContact CD2-CE2 3.97Å; L1014-Y1018 HydrophobicContact CG-CD2 4.1Å; L1014-Y1018 HydrophobicContact CG-CE2 3.78Å; L1014-Y1018 WeakPolarHBondContact O-CD2 3.35Å; L1014-Y1018 PolarHBondContact O-N 2.89Å; I1015-Y1018 CarbonylContact O-C 3.47Å; I1015-Y1018 PolarHBondContact O-N 3.06Å; Y1018-S1022 VanDerWaalsContact O-CB 3.22Å; Y1018-S1022 WeakPolarHBondContact O-CB 3.4Å; Y1018-S1022 PolarHBondContact O-N 3.27Å
1019	L	40.6	Very low	39.2	Very low	44 Å²	44	93.5 Å²	93.5	23%	0.23	47%	0.47	C	S	.	.	H	α-helix	trans	-67.9	-43.8	171	-112.8	84	0	0	0	110.9	I1015 I1021 S1022 L1023	I1015-L1019 HydrophobicContact CG2-CD1 4.19Å; I1015-L1019 WeakPolarHBondContact O-CB 3.13Å; I1015-L1019 PolarHBondContact O-N 3.13Å; L1019-I1021 VanDerWaalsContact C-N 3.35Å; L1019-S1022 CarbonylContact O-C 2.79Å; L1019-S1022 PolarHBondContact O-N 3.11Å; L1019-L1023 VanDerWaalsContact O-CB 3.26Å; L1019-L1023 WeakPolarHBondContact O-CB 3.37Å; L1019-L1023 WeakPolarHBondContact O-CG 3.31Å; L1019-L1023 PolarHBondContact O-N 3.03Å
1020	L	35.3	Very low	38.5	Very low	98 Å²	98	94.1 Å²	94.1	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.9	-86.9	162.2	0	0	0	111.2	N1016 Y1017 L1023 F1024	N1016-L1020 WeakPolarHBondContact O-CB 3.04Å; N1016-L1020 VanDerWaalsContact O-CG 3.32Å; N1016-L1020 WeakPolarHBondContact O-CG 3.49Å; N1016-L1020 PolarHBondContact O-N 3.15Å; Y1017-L1020 PolarHBondContact O-N 3.29Å; L1020-L1023 PolarHBondContact O-N 3.01Å; L1020-F1024 VanDerWaalsContact O-CB 3.26Å; L1020-F1024 WeakPolarHBondContact O-CB 3.44Å; L1020-F1024 WeakPolarHBondContact O-CD2 3.4Å; L1020-F1024 PolarHBondContact O-N 3.44Å
1021	I	42.5	Very low	37.8	Very low	55 Å²	55	97.3 Å²	97.3	28%	0.282	49%	0.487	S	S	.	.	H	α-helix	trans	-66.8	-41.6	172.5	-73.7	172.3	0	0	0	110.9	Y1017 L1019 L1023 F1024 N1025	Y1017-I1021 HydrophobicContact CD1-CD1 3.8Å; Y1017-I1021 HydrophobicContact CD2-CD1 4.46Å; Y1017-I1021 HydrophobicContact CE1-CD1 3.38Å; Y1017-I1021 HydrophobicContact CE2-CD1 4.1Å; Y1017-I1021 HydrophobicContact CG-CD1 4.33Å; Y1017-I1021 WeakPolarHBondContact O-CB 3.43Å; Y1017-I1021 WeakPolarHBondContact O-CG1 3.5Å; Y1017-I1021 PolarHBondContact O-N 3.2Å; L1019-I1021 VanDerWaalsContact C-N 3.35Å; I1021-L1023 VanDerWaalsContact C-N 3.34Å; I1021-L1023 PolarHBondContact O-N 2.81Å; I1021-F1024 PolarHBondContact O-N 3.29Å; I1021-N1025 VanDerWaalsContact O-CB 3.3Å; I1021-N1025 WeakPolarHBondContact O-CB 3.38Å; I1021-N1025 VanDerWaalsContact O-CG 3.27Å; I1021-N1025 PolarHBondContact O-N 2.86Å; I1021-N1025 PolarHBondContact O-OD1 3.33Å
1022	S	39.3	Very low	37.2	Very low	46 Å²	46	98.9 Å²	98.9	32%	0.322	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-40	175.8	-168.5	0	0	0	0	111.9	Y1018 L1019 N1026	Y1018-S1022 VanDerWaalsContact O-CB 3.22Å; Y1018-S1022 WeakPolarHBondContact O-CB 3.4Å; Y1018-S1022 PolarHBondContact O-N 3.27Å; L1019-S1022 CarbonylContact O-C 2.79Å; L1019-S1022 PolarHBondContact O-N 3.11Å; S1022-N1026 WeakPolarHBondContact O-CB 3.47Å; S1022-N1026 PolarHBondContact O-N 3.43Å; S1022-N1026 PolarHBondContact O-ND2 2.98Å
1023	L	34.6	Very low	36.7	Very low	86 Å²	86	101.2 Å²	101.2	45%	0.45	52%	0.519	S	S	.	.	H	α-helix	trans	-72.7	-38.9	176.3	-71.5	165.9	0	0	0	111.9	L1019 L1020 I1021 N1026 Q1027	L1019-L1023 VanDerWaalsContact O-CB 3.26Å; L1019-L1023 WeakPolarHBondContact O-CB 3.37Å; L1019-L1023 WeakPolarHBondContact O-CG 3.31Å; L1019-L1023 PolarHBondContact O-N 3.03Å; L1020-L1023 PolarHBondContact O-N 3.01Å; I1021-L1023 VanDerWaalsContact C-N 3.34Å; I1021-L1023 PolarHBondContact O-N 2.81Å; L1023-N1026 PolarHBondContact O-N 3.03Å; L1023-Q1027 WeakPolarHBondContact O-CB 3.47Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.45Å; L1023-Q1027 PolarHBondContact O-N 2.99Å
1024	F	35	Very low	36.1	Very low	128 Å²	128	106 Å²	106	56%	0.561	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-46.3	172.4	-103.4	-92.8	0	0	0	111.2	L1020 I1021 N1026 Q1027 L1028	L1020-F1024 VanDerWaalsContact O-CB 3.26Å; L1020-F1024 WeakPolarHBondContact O-CB 3.44Å; L1020-F1024 WeakPolarHBondContact O-CD2 3.4Å; L1020-F1024 PolarHBondContact O-N 3.44Å; I1021-F1024 PolarHBondContact O-N 3.29Å; F1024-N1026 VanDerWaalsContact C-N 3.3Å; F1024-N1026 PolarHBondContact O-N 3.28Å; F1024-Q1027 PolarHBondContact O-N 2.91Å; F1024-L1028 HydrophobicContact CD1-CD1 4.19Å; F1024-L1028 HydrophobicContact CD1-CG 4.41Å; F1024-L1028 WeakPolarHBondContact O-CB 3.41Å; F1024-L1028 WeakPolarHBondContact O-CG 3.45Å; F1024-L1028 PolarHBondContact O-N 2.86Å
1025	N	37.7	Very low	35.6	Very low	86 Å²	86	108.8 Å²	108.8	46%	0.46	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-38.2	177.6	-73.2	14.2	0	0	0	111.1	I1021	I1021-N1025 VanDerWaalsContact O-CB 3.3Å; I1021-N1025 WeakPolarHBondContact O-CB 3.38Å; I1021-N1025 VanDerWaalsContact O-CG 3.27Å; I1021-N1025 PolarHBondContact O-N 2.86Å; I1021-N1025 PolarHBondContact O-OD1 3.33Å
1026	N	36.2	Very low	35.2	Very low	107 Å²	107	112.8 Å²	112.8	57%	0.572	57%	0.567	S	S	*	*	H	α-helix	trans	-70.5	-37.1	173.4	-81.3	-74.1	0	0	0	113.2	S1022 L1023 F1024 S1029	S1022-N1026 WeakPolarHBondContact O-CB 3.47Å; S1022-N1026 PolarHBondContact O-N 3.43Å; S1022-N1026 PolarHBondContact O-ND2 2.98Å; L1023-N1026 PolarHBondContact O-N 3.03Å; F1024-N1026 VanDerWaalsContact C-N 3.3Å; F1024-N1026 PolarHBondContact O-N 3.28Å; N1026-S1029 WeakPolarHBondContact O-CB 3.28Å; N1026-S1029 PolarHBondContact O-OG 2.82Å
1027	Q	33.5	Very low	34.9	Very low	130 Å²	130	117.7 Å²	117.7	61%	0.607	59%	0.585	S	S	*	*	H	α-helix	trans	-78	-33.1	178.2	-74.7	-165.4	-10.1	0	0	113.6	L1023 F1024 S1029 N1030	L1023-Q1027 WeakPolarHBondContact O-CB 3.47Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.45Å; L1023-Q1027 PolarHBondContact O-N 2.99Å; F1024-Q1027 PolarHBondContact O-N 2.91Å; Q1027-S1029 PolarHBondContact O-N 2.85Å; Q1027-S1029 VanDerWaalsContact O-N 3.16Å; Q1027-N1030 PolarHBondContact O-N 3.07Å
1028	L	33.5	Very low	34.6	Very low	130 Å²	130	117.7 Å²	117.7	68%	0.681	59%	0.594	S	S	*	*	H	α-helix	trans	-63.9	-16.1	174.6	-76.5	167.7	0	0	0	113	F1024 N1030	F1024-L1028 HydrophobicContact CD1-CD1 4.19Å; F1024-L1028 HydrophobicContact CD1-CG 4.41Å; F1024-L1028 WeakPolarHBondContact O-CB 3.41Å; F1024-L1028 WeakPolarHBondContact O-CG 3.45Å; F1024-L1028 PolarHBondContact O-N 2.86Å; L1028-N1030 PolarHBondContact O-N 3.34Å
1029	S	36.6	Very low	34.3	Very low	86 Å²	86	117 Å²	117	60%	0.601	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-10.2	168.9	75.4	0	0	0	0	114.1	N1026 Q1027	N1026-S1029 WeakPolarHBondContact O-CB 3.28Å; N1026-S1029 PolarHBondContact O-OG 2.82Å; Q1027-S1029 PolarHBondContact O-N 2.85Å; Q1027-S1029 VanDerWaalsContact O-N 3.16Å
1030	N	32	Very low	34	Very low	116 Å²	116	123.9 Å²	123.9	62%	0.62	63%	0.63	S	S	*	*	S	Bend	trans	-123.2	128.7	-174.7	-81.1	-87.5	0	0	0	113.4	Q1027 L1028	Q1027-N1030 PolarHBondContact O-N 3.07Å; L1028-N1030 PolarHBondContact O-N 3.34Å
1031	K	30.4	Very low	33.9	Very low	169 Å²	169	127 Å²	127	74%	0.735	65%	0.646	S	S	*	*			trans	68.1	73.1	163.7	-63.3	-175.2	174.6	-177.7	0	119.1	I1033	K1031-I1033 VanDerWaalsContact C-N 3.28Å; K1031-I1033 PolarHBondContact O-N 3.33Å
1032	S	28.3	Very low	33.2	Very low	112 Å²	112	131 Å²	131	78%	0.783	67%	0.668	S	S	*	*				45	23.5	104.6	77	0	0	0	0	121.9
1033	I	31.6	Very low	33	Very low	132 Å²	132	134 Å²	134	68%	0.677	69%	0.689	S	S	*	*			trans	-118	-20	-172.9	-68.5	179.5	0	0	0	114.8	K1031	K1031-I1033 VanDerWaalsContact C-N 3.28Å; K1031-I1033 PolarHBondContact O-N 3.33Å
1034	Y	29.5	Very low	33	Very low	201 Å²	201	138.9 Å²	138.9	79%	0.788	71%	0.707	S	S	*	*			trans	-104.2	27.7	-172.8	-97.5	-89.1	0	0	0	116.1
1035	L	30.7	Very low	33	Very low	135 Å²	135	138.5 Å²	138.5	71%	0.707	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-78.6	-16.9	-174.6	-98.8	163.5	0	0	0	115.8	K1037	L1035-K1037 PolarHBondContact O-N 3.04Å
1036	N	32.5	Very low	32.9	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-96.5	25.7	-172.6	-78.4	9.7	0	0	0	115.3
1037	K	31.9	Very low	33.2	Very low	182 Å²	182	140.3 Å²	140.3	79%	0.791	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-141.9	5	179.2	-108.8	-175.6	-177.8	-177.2	0	117.4	L1035	L1035-K1037 PolarHBondContact O-N 3.04Å
1038	L	33.9	Very low	33.4	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	74%	0.737	S	S	*	*	S	Bend	trans	-99.3	-17.6	173.4	-97.7	76.3	0	0	0	114.2	Q1040 L1041	L1038-Q1040 PolarHBondContact O-N 3.23Å; L1038-L1041 PolarHBondContact O-N 2.81Å; L1038-L1041 VanDerWaalsContact O-N 3.13Å
1039	D	33.8	Very low	34	Very low	118 Å²	118	142.4 Å²	142.4	63%	0.631	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-9.6	-173.6	-63.8	-31.6	0	0	0	115.1	N1042	D1039-N1042 PolarHBondContact O-ND2 2.63Å
1040	Q	35.9	Very low	34.4	Very low	188 Å²	188	142 Å²	142	88%	0.879	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	1.3	177.7	-68.7	-173.6	-26.5	0	0	114.7	L1038	L1038-Q1040 PolarHBondContact O-N 3.23Å
1041	L	31.6	Very low	34.5	Very low	164 Å²	164	139.7 Å²	139.7	86%	0.859	71%	0.711	S	S	*	*	S	Bend	trans	-123.7	63.7	176.3	-75.4	173	0	0	0	112.3	L1038	L1038-L1041 PolarHBondContact O-N 2.81Å; L1038-L1041 VanDerWaalsContact O-N 3.13Å
1042	N	29.1	Very low	34.9	Very low	139 Å²	139	138 Å²	138	74%	0.743	71%	0.709	S	S	*	*			trans	-84	110.6	176.9	-98.6	-66	0	0	0	112.8	D1039	D1039-N1042 PolarHBondContact O-ND2 2.63Å
1043	S	34.1	Very low	35.4	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	70%	0.704	S	S	*	*	S	Bend		178.7	143.7	123.3	44.3	0	0	0	0	113.4
1044	K	35.8	Very low	35.5	Very low	189 Å²	189	137.9 Å²	137.9	82%	0.822	69%	0.694	S	S	*	*			trans	55.5	64.1	167.4	-63.7	-174.3	178.6	-179.6	0	117.5	L1046	K1044-L1046 PolarHBondContact O-N 2.95Å
1045	S	33.4	Very low	35.6	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	67%	0.674	S	S	*	*				28.6	89.6	127.8	60.5	0	0	0	0	118.2
1046	L	36.7	Very low	35.7	Very low	135 Å²	135	130.6 Å²	130.6	71%	0.707	67%	0.665	S	S	*	*			trans	-116.5	127.2	146	-90.6	85	0	0	0	108.9	K1044 L1051	K1044-L1046 PolarHBondContact O-N 2.95Å; L1046-L1051 HydrophobicContact CB-CD1 4.27Å; L1046-L1051 HydrophobicContact CD2-CD1 4.05Å; L1046-L1051 HydrophobicContact CD2-CD2 3.76Å; L1046-L1051 HydrophobicContact CD2-CG 3.88Å
1047	N	42.8	Very low	35.6	Very low	97 Å²	97	129.2 Å²	129.2	52%	0.519	66%	0.656	S	S	.	*			trans	-75.1	142.1	172.4	-179.7	31.9	0	0	0	109.7	E1049 D1050	N1047-E1049 PolarHBondContact O-N 2.97Å; N1047-D1050 VanDerWaalsContact CB-OD2 3.29Å; N1047-D1050 WeakPolarHBondContact CB-OD2 3.4Å; N1047-D1050 PolarHBondContact ND2-OD2 2.97Å
1048	K	37.5	Very low	35.6	Very low	177 Å²	177	127.4 Å²	127.4	77%	0.77	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-21.6	-164.3	-160.9	177.1	-179.6	-176.7	0	113.5
1049	E	45.2	Very low	35.3	Very low	127 Å²	127	124.8 Å²	124.8	59%	0.593	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-42.7	177.9	-62.7	-176	133.7	0	0	111	N1047 L1051 L1052	N1047-E1049 PolarHBondContact O-N 2.97Å; E1049-L1051 PolarHBondContact O-N 2.81Å; E1049-L1051 VanDerWaalsContact O-N 3.12Å; E1049-L1052 PolarHBondContact O-N 2.85Å
1050	D	44.9	Very low	35	Very low	77 Å²	77	126.8 Å²	126.8	41%	0.412	65%	0.647	S	S	.	*	H	α-helix	trans	-54.1	-33.9	175	-70.5	-79.4	0	0	0	113.2	N1047 L1052 Y1054	N1047-D1050 VanDerWaalsContact CB-OD2 3.29Å; N1047-D1050 WeakPolarHBondContact CB-OD2 3.4Å; N1047-D1050 PolarHBondContact ND2-OD2 2.97Å; D1050-L1052 VanDerWaalsContact C-N 3.31Å; D1050-L1052 PolarHBondContact O-N 2.77Å; D1050-Y1054 WeakPolarHBondContact O-CB 3.32Å; D1050-Y1054 PolarHBondContact O-N 3.11Å
1051	L	35.7	Very low	34.7	Very low	68 Å²	68	122.1 Å²	122.1	36%	0.356	63%	0.628	S	S	.	*	H	α-helix	trans	-64.2	-29.4	176.4	-88.5	165.8	0	0	0	114.2	L1046 E1049 F1055	L1046-L1051 HydrophobicContact CB-CD1 4.27Å; L1046-L1051 HydrophobicContact CD2-CD1 4.05Å; L1046-L1051 HydrophobicContact CD2-CD2 3.76Å; L1046-L1051 HydrophobicContact CD2-CG 3.88Å; E1049-L1051 PolarHBondContact O-N 2.81Å; E1049-L1051 VanDerWaalsContact O-N 3.12Å; L1051-F1055 HydrophobicContact CD2-CE2 3.98Å; L1051-F1055 VanDerWaalsContact O-CD2 3.29Å; L1051-F1055 WeakPolarHBondContact O-CD2 3.44Å
1052	L	38.3	Very low	34.7	Very low	132 Å²	132	122 Å²	122	69%	0.691	62%	0.62	S	S	*	*	H	α-helix	trans	-82.2	-39.5	-176.9	-81.4	161.5	0	0	0	112	E1049 D1050	E1049-L1052 PolarHBondContact O-N 2.85Å; D1050-L1052 VanDerWaalsContact C-N 3.31Å; D1050-L1052 PolarHBondContact O-N 2.77Å
1053	D	38	Very low	34.9	Very low	128 Å²	128	126.1 Å²	126.1	68%	0.684	63%	0.631	S	S	*	*	H	α-helix	trans	-74.9	-37	175.8	-70.2	-35.2	0	0	0	111.8	F1055 N1056	D1053-F1055 VanDerWaalsContact C-N 3.3Å; D1053-F1055 PolarHBondContact O-N 3.38Å; D1053-N1056 PolarHBondContact O-N 3.43Å; D1053-N1056 VanDerWaalsContact O-N 3.17Å
1054	Y	34.9	Very low	34.8	Very low	115 Å²	115	127.9 Å²	127.9	45%	0.451	62%	0.621	S	S	.	*	H	α-helix	trans	-59.2	-34.8	-179.7	-175.8	-96.6	0	0	0	114	Q299 D1050	Q299-Y1054 PolarHBondContact NE2-OH 3.04Å; D1050-Y1054 WeakPolarHBondContact O-CB 3.32Å; D1050-Y1054 PolarHBondContact O-N 3.11Å
1055	F	31.6	Very low	34.6	Very low	85 Å²	85	123.2 Å²	123.2	37%	0.373	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.8	-7.6	-179.1	-80.7	-62	0	0	0	115.1	L1051 D1053 I1057 W1073	L1051-F1055 HydrophobicContact CD2-CE2 3.98Å; L1051-F1055 VanDerWaalsContact O-CD2 3.29Å; L1051-F1055 WeakPolarHBondContact O-CD2 3.44Å; D1053-F1055 VanDerWaalsContact C-N 3.3Å; D1053-F1055 PolarHBondContact O-N 3.38Å; F1055-I1057 HydrophobicContact CB-CD1 3.91Å; F1055-I1057 HydrophobicContact CB-CG1 3.68Å; F1055-I1057 WeakPolarHBondContact O-CG1 3.28Å; F1055-I1057 PolarHBondContact O-N 3.13Å; F1055-W1073 HydrophobicContact CD1-CZ3 4.49Å; F1055-W1073 HydrophobicContact CE1-CE3 4.31Å; F1055-W1073 AromaticContact CE1-CH2 3.95Å; F1055-W1073 HydrophobicContact CE1-CH2 3.95Å; F1055-W1073 AromaticContact CE1-CZ3 3.47Å; F1055-W1073 HydrophobicContact CE1-CZ3 3.47Å; F1055-W1073 VanDerWaalsContact CE1-CZ3 3.47Å; F1055-W1073 AromaticContact CE2-CH2 3.77Å; F1055-W1073 HydrophobicContact CE2-CH2 3.77Å; F1055-W1073 HydrophobicContact CE2-CZ3 4.17Å; F1055-W1073 HydrophobicContact CZ-CE3 4.15Å; F1055-W1073 AromaticContact CZ-CH2 3.31Å; F1055-W1073 HydrophobicContact CZ-CH2 3.31Å; F1055-W1073 HydrophobicContact CZ-CZ2 4.21Å; F1055-W1073 AromaticContact CZ-CZ3 3.27Å; F1055-W1073 HydrophobicContact CZ-CZ3 3.27Å
1056	N	33	Very low	34.7	Very low	98 Å²	98	122.2 Å²	122.2	52%	0.524	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	48.2	38.9	170.2	-152.1	-20.9	0	0	0	114.2	D1053 Q1058	D1053-N1056 PolarHBondContact O-N 3.43Å; D1053-N1056 VanDerWaalsContact O-N 3.17Å; N1056-Q1058 PolarHBondContact O-N 2.68Å
1057	I	29.9	Very low	34.7	Very low	123 Å²	123	117.5 Å²	117.5	63%	0.631	56%	0.564	S	S	*	*			trans	-78.5	84.5	-168.1	-49.8	-175.7	0	0	0	110.9	F1055 C1059	F1055-I1057 HydrophobicContact CB-CD1 3.91Å; F1055-I1057 HydrophobicContact CB-CG1 3.68Å; F1055-I1057 WeakPolarHBondContact O-CG1 3.28Å; F1055-I1057 PolarHBondContact O-N 3.13Å; I1057-C1059 VanDerWaalsContact C-N 3.31Å; I1057-C1059 PolarHBondContact O-N 2.95Å
1058	Q	30.6	Very low	34.3	Very low	144 Å²	144	121.2 Å²	121.2	67%	0.673	57%	0.572	S	S	*	*			trans	-69.6	87.1	166.3	-64.9	-170.5	-1.1	0	0	110.5	N1056 F1060	N1056-Q1058 PolarHBondContact O-N 2.68Å; Q1058-F1060 HydrophobicContact CB-CD2 4Å; Q1058-F1060 HydrophobicContact CB-CE2 4.06Å; Q1058-F1060 PolarHBondContact O-N 2.91Å
1059	C	28.3	Very low	34.4	Very low	88 Å²	88	121 Å²	121	60%	0.595	57%	0.573	S	S	*	*			trans	-65.3	72	176.6	-86.5	0	0	0	0	113.3	I1057	I1057-C1059 VanDerWaalsContact C-N 3.31Å; I1057-C1059 PolarHBondContact O-N 2.95Å
1060	F	28.4	Very low	34.1	Very low	161 Å²	161	121 Å²	121	71%	0.706	57%	0.573	S	S	*	*			trans	-74.4	130.4	172.1	-85.9	-81	0	0	0	112.3	Q1058 K1062	Q1058-F1060 HydrophobicContact CB-CD2 4Å; Q1058-F1060 HydrophobicContact CB-CE2 4.06Å; Q1058-F1060 PolarHBondContact O-N 2.91Å; F1060-K1062 PolarHBondContact O-N 2.97Å
1061	N	28.6	Very low	33.9	Very low	90 Å²	90	123.2 Å²	123.2	48%	0.481	59%	0.585	S	S	.	*	S	Bend	trans	-61.1	95.6	174.9	-90.8	-36	0	0	0	112.3	Q1011	Q1011-N1061 PolarHBondContact NE2-ND2 3.05Å
1062	K	31.5	Very low	34.3	Very low	160 Å²	160	125.6 Å²	125.6	70%	0.696	59%	0.594	S	S	*	*	S	Bend	trans	172.2	88.9	141.7	-92.7	151.2	-170.5	172.6	0	114.1	F1060 R1064	F1060-K1062 PolarHBondContact O-N 2.97Å; K1062-R1064 PolarHBondContact O-N 3.13Å
1063	K	32.9	Very low	34.7	Very low	226 Å²	226	126.3 Å²	126.3	98%	0.983	59%	0.588	S	S	*	*	S	Bend	trans	49.5	17.1	153.8	-82	-158.4	173	-166.3	0	119.1
1064	R	32.3	Very low	35.2	Very low	146 Å²	146	121.6 Å²	121.6	55%	0.551	56%	0.563	S	S	*	*			trans	-139.5	119.2	-174	-76.7	172.9	163	173.9	-2.8	109.9	K1062 W1099	K1062-R1064 PolarHBondContact O-N 3.13Å; R1064-W1099 HydrophobicContact CG-CH2 4.24Å; R1064-W1099 HydrophobicContact CG-CZ3 4.37Å; R1064-W1099 VanDerWaalsContact CZ-CH2 3.45Å
1065	I	31.7	Very low	35.9	Very low	92 Å²	92	123.2 Å²	123.2	47%	0.472	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-90.2	118.6	169.4	-50.2	177.2	0	0	0	106.3	I1067	I1065-I1067 HydrophobicContact CB-CG1 4.49Å; I1065-I1067 HydrophobicContact CG2-CD1 4.19Å; I1065-I1067 HydrophobicContact CG2-CG1 3.57Å
1066	I	36.6	Very low	36.9	Very low	97 Å²	97	122 Å²	122	50%	0.497	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-95.1	116.3	165.1	-61.4	176.3	0	0	0	105	Y1068	I1066-Y1068 HydrophobicContact CG2-CD2 4.48Å; I1066-Y1068 HydrophobicContact CG2-CE2 3.97Å
1067	I	35.5	Very low	37.8	Very low	36 Å²	36	119.6 Å²	119.6	19%	0.185	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-103.4	124.3	178.1	-50.1	179.2	0	0	0	106.8	I1065 I1074 I1092	I1065-I1067 HydrophobicContact CB-CG1 4.49Å; I1065-I1067 HydrophobicContact CG2-CD1 4.19Å; I1065-I1067 HydrophobicContact CG2-CG1 3.57Å; I1067-I1074 HydrophobicContact CD1-CG2 3.64Å; I1067-I1074 HydrophobicContact CG2-CD1 3.52Å; I1067-I1074 HydrophobicContact CG2-CG1 3.91Å; I1067-I1074 HydrophobicContact CG2-CG2 4.27Å; I1067-I1092 HydrophobicContact CD1-CD1 4.41Å
1068	Y	35.5	Very low	38.9	Very low	176 Å²	176	114.8 Å²	114.8	69%	0.69	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-85.7	132.8	177.4	-68.5	-89.2	0	0	0	109.3	I1066	I1066-Y1068 HydrophobicContact CG2-CD2 4.48Å; I1066-Y1068 HydrophobicContact CG2-CE2 3.97Å
1069	Q	40.1	Very low	39.9	Very low	171 Å²	171	113.2 Å²	113.2	80%	0.799	53%	0.533	S	S	*	.	S	Bend	trans	67.6	166.6	-179.8	-135.6	156.4	7.9	0	0	115.9	I1074	Q1069-I1074 VanDerWaalsContact O-CD1 3.27Å; Q1069-I1074 WeakPolarHBondContact O-CD1 3.45Å
1070	H	37.6	Very low	41.1	Very low	127 Å²	127	113.2 Å²	113.2	59%	0.588	53%	0.527	S	S	*	.			trans	-106.4	125.6	179	-93.2	-79.1	0	0	0	109.1
1071	D	41.8	Very low	42	Very low	124 Å²	124	107.2 Å²	107.2	66%	0.663	50%	0.504	S	S	*	.			trans	-154	146.1	174.8	-125.1	-37.9	0	0	0	109.3	W1073 I1074	D1071-W1073 PolarHBondContact O-N 3.44Å; D1071-I1074 HydrophobicContact CB-CD1 4.3Å; D1071-I1074 VanDerWaalsContact O-CB 3.27Å; D1071-I1074 WeakPolarHBondContact O-CB 3.28Å; D1071-I1074 PolarHBondContact O-N 3.22Å
1072	E	44.1	Very low	43	Very low	118 Å²	118	103.5 Å²	103.5	55%	0.551	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.5	-173.8	-64.2	-171	145.6	0	0	112.7	F799 I1074 Q1075	F799-E1072 VanDerWaalsContact CE2-OE1 3.26Å; F799-E1072 WeakPolarHBondContact CE2-OE1 3.26Å; F799-E1072 WeakPolarHBondContact CE2-OE2 3.38Å; F799-E1072 WeakPolarHBondContact CZ-OE2 3.27Å; E1072-I1074 PolarHBondContact O-N 3.02Å; E1072-I1074 VanDerWaalsContact O-N 3.1Å; E1072-Q1075 WeakPolarHBondContact O-CB 3.42Å; E1072-Q1075 PolarHBondContact O-N 3.24Å
1073	W	46.2	Very low	44	Very low	148 Å²	148	99.2 Å²	99.2	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-52.9	-30.9	171.9	-170.7	74.9	0	0	0	112.8	F1055 D1071 Q1075 S1076 V1077	F1055-W1073 HydrophobicContact CD1-CZ3 4.49Å; F1055-W1073 HydrophobicContact CE1-CE3 4.31Å; F1055-W1073 AromaticContact CE1-CH2 3.95Å; F1055-W1073 HydrophobicContact CE1-CH2 3.95Å; F1055-W1073 AromaticContact CE1-CZ3 3.47Å; F1055-W1073 HydrophobicContact CE1-CZ3 3.47Å; F1055-W1073 VanDerWaalsContact CE1-CZ3 3.47Å; F1055-W1073 AromaticContact CE2-CH2 3.77Å; F1055-W1073 HydrophobicContact CE2-CH2 3.77Å; F1055-W1073 HydrophobicContact CE2-CZ3 4.17Å; F1055-W1073 HydrophobicContact CZ-CE3 4.15Å; F1055-W1073 AromaticContact CZ-CH2 3.31Å; F1055-W1073 HydrophobicContact CZ-CH2 3.31Å; F1055-W1073 HydrophobicContact CZ-CZ2 4.21Å; F1055-W1073 AromaticContact CZ-CZ3 3.27Å; F1055-W1073 HydrophobicContact CZ-CZ3 3.27Å; D1071-W1073 PolarHBondContact O-N 3.44Å; W1073-Q1075 VanDerWaalsContact C-N 3.28Å; W1073-Q1075 PolarHBondContact O-N 3.22Å; W1073-S1076 WeakPolarHBondContact O-CB 3.24Å; W1073-S1076 PolarHBondContact O-N 3.11Å; W1073-S1076 VanDerWaalsContact O-N 3.09Å; W1073-V1077 HydrophobicContact CD2-CG2 3.74Å; W1073-V1077 HydrophobicContact CE3-CG2 3.64Å; W1073-V1077 HydrophobicContact CH2-CG2 3.63Å; W1073-V1077 HydrophobicContact CZ2-CG2 3.72Å; W1073-V1077 HydrophobicContact CZ3-CG2 3.59Å; W1073-V1077 WeakPolarHBondContact O-CG2 3.37Å; W1073-V1077 PolarHBondContact O-N 3.47Å
1074	I	48.6	Very low	44.8	Very low	29 Å²	29	92.9 Å²	92.9	15%	0.149	45%	0.453	C	S	.	.	H	α-helix	trans	-63.6	-33	177.2	-64.8	165.4	0	0	0	111.3	I1067 Q1069 D1071 E1072 V1077 I1078	I1067-I1074 HydrophobicContact CD1-CG2 3.64Å; I1067-I1074 HydrophobicContact CG2-CD1 3.52Å; I1067-I1074 HydrophobicContact CG2-CG1 3.91Å; I1067-I1074 HydrophobicContact CG2-CG2 4.27Å; Q1069-I1074 VanDerWaalsContact O-CD1 3.27Å; Q1069-I1074 WeakPolarHBondContact O-CD1 3.45Å; D1071-I1074 HydrophobicContact CB-CD1 4.3Å; D1071-I1074 VanDerWaalsContact O-CB 3.27Å; D1071-I1074 WeakPolarHBondContact O-CB 3.28Å; D1071-I1074 PolarHBondContact O-N 3.22Å; E1072-I1074 PolarHBondContact O-N 3.02Å; E1072-I1074 VanDerWaalsContact O-N 3.1Å; I1074-V1077 PolarHBondContact O-N 3.36Å; I1074-I1078 HydrophobicContact CG2-CD1 3.61Å; I1074-I1078 HydrophobicContact CG2-CG1 4.19Å; I1074-I1078 WeakPolarHBondContact O-CB 3.37Å; I1074-I1078 WeakPolarHBondContact O-CD1 3.27Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.26Å; I1074-I1078 PolarHBondContact O-N 2.9Å
1075	Q	49.1	Very low	45.1	Very low	148 Å²	148	91.2 Å²	91.2	69%	0.692	46%	0.455	S	S	*	.	H	α-helix	trans	-65.1	-42.3	173.2	-62.5	-165	18.9	0	0	111.2	E1072 W1073 I1078 H1079	E1072-Q1075 WeakPolarHBondContact O-CB 3.42Å; E1072-Q1075 PolarHBondContact O-N 3.24Å; W1073-Q1075 VanDerWaalsContact C-N 3.28Å; W1073-Q1075 PolarHBondContact O-N 3.22Å; Q1075-I1078 PolarHBondContact O-N 3.13Å; Q1075-H1079 VanDerWaalsContact O-CB 3.26Å; Q1075-H1079 WeakPolarHBondContact O-CB 3.43Å; Q1075-H1079 PolarHBondContact O-N 3.2Å
1076	S	52.9	Low	45.8	Very low	59 Å²	59	92.9 Å²	92.9	41%	0.413	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-40.9	175.4	-172.2	0	0	0	0	111.9	W1073 H1079 N1080	W1073-S1076 WeakPolarHBondContact O-CB 3.24Å; W1073-S1076 PolarHBondContact O-N 3.11Å; W1073-S1076 VanDerWaalsContact O-N 3.09Å; S1076-H1079 PolarHBondContact O-N 3.22Å; S1076-N1080 VanDerWaalsContact O-CB 3.27Å; S1076-N1080 WeakPolarHBondContact O-CB 3.26Å; S1076-N1080 PolarHBondContact O-N 3.18Å; S1076-N1080 PolarHBondContact O-ND2 3.42Å; S1076-N1080 PolarHBondContact OG-ND2 2.91Å
1077	V	51.8	Low	46	Very low	48 Å²	48	91.5 Å²	91.5	29%	0.291	46%	0.458	S	S	.	.	H	α-helix	trans	-65.5	-43.9	175.8	172.9	0	0	0	0	111.4	W1073 I1074 N1080 C1081	W1073-V1077 HydrophobicContact CD2-CG2 3.74Å; W1073-V1077 HydrophobicContact CE3-CG2 3.64Å; W1073-V1077 HydrophobicContact CH2-CG2 3.63Å; W1073-V1077 HydrophobicContact CZ2-CG2 3.72Å; W1073-V1077 HydrophobicContact CZ3-CG2 3.59Å; W1073-V1077 WeakPolarHBondContact O-CG2 3.37Å; W1073-V1077 PolarHBondContact O-N 3.47Å; I1074-V1077 PolarHBondContact O-N 3.36Å; V1077-N1080 PolarHBondContact O-N 3.01Å; V1077-C1081 VanDerWaalsContact O-CB 3.28Å; V1077-C1081 WeakPolarHBondContact O-CB 3.38Å; V1077-C1081 PolarHBondContact O-N 3.39Å; V1077-C1081 PolarHBondContact O-SG 3.37Å
1078	I	52.4	Low	46.4	Very low	23 Å²	23	94.5 Å²	94.5	12%	0.118	47%	0.473	C	S	.	.	H	α-helix	trans	-61.1	-46	175.1	-69.3	161.7	0	0	0	110.5	I1074 Q1075 C1081 L1082 I1092 I1102	I1074-I1078 HydrophobicContact CG2-CD1 3.61Å; I1074-I1078 HydrophobicContact CG2-CG1 4.19Å; I1074-I1078 WeakPolarHBondContact O-CB 3.37Å; I1074-I1078 WeakPolarHBondContact O-CD1 3.27Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.26Å; I1074-I1078 PolarHBondContact O-N 2.9Å; Q1075-I1078 PolarHBondContact O-N 3.13Å; I1078-C1081 PolarHBondContact O-N 3.38Å; I1078-L1082 HydrophobicContact CG2-CD1 3.87Å; I1078-L1082 HydrophobicContact CG2-CG 4.38Å; I1078-L1082 WeakPolarHBondContact O-CB 3.49Å; I1078-L1082 VanDerWaalsContact O-CG 3.28Å; I1078-L1082 WeakPolarHBondContact O-CG 3.07Å; I1078-L1082 PolarHBondContact O-N 3.23Å; I1078-I1092 HydrophobicContact CD1-CD1 3.29Å; I1078-I1092 HydrophobicContact CG1-CD1 3.79Å; I1078-I1102 HydrophobicContact CD1-CD1 4.19Å; I1078-I1102 HydrophobicContact CG2-CD1 4.08Å
1079	H	52.6	Low	46.9	Very low	110 Å²	110	92.3 Å²	92.3	51%	0.509	47%	0.466	S	S	.	.	H	α-helix	trans	-62.3	-46.3	179.1	-169.2	91	0	0	0	111.4	Q1075 S1076 C1081 L1082 N1083	Q1075-H1079 VanDerWaalsContact O-CB 3.26Å; Q1075-H1079 WeakPolarHBondContact O-CB 3.43Å; Q1075-H1079 PolarHBondContact O-N 3.2Å; S1076-H1079 PolarHBondContact O-N 3.22Å; H1079-C1081 PolarHBondContact O-N 3.1Å; H1079-L1082 PolarHBondContact O-N 3.12Å; H1079-N1083 PolarHBondContact CD2-ND2 3.08Å; H1079-N1083 PolarHBondContact NE2-ND2 3.41Å; H1079-N1083 WeakPolarHBondContact O-CB 3.39Å; H1079-N1083 PolarHBondContact O-N 3.45Å; H1079-N1083 PolarHBondContact O-ND2 2.82Å
1080	N	53.4	Low	47.2	Very low	89 Å²	89	85 Å²	85	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-66.3	-35.8	176.6	-71.9	-24.3	0	0	0	112.5	S1076 V1077 N1083 S1084	S1076-N1080 VanDerWaalsContact O-CB 3.27Å; S1076-N1080 WeakPolarHBondContact O-CB 3.26Å; S1076-N1080 PolarHBondContact O-N 3.18Å; S1076-N1080 PolarHBondContact O-ND2 3.42Å; S1076-N1080 PolarHBondContact OG-ND2 2.91Å; V1077-N1080 PolarHBondContact O-N 3.01Å; N1080-N1083 PolarHBondContact O-N 3.25Å; N1080-S1084 VanDerWaalsContact O-CB 3.27Å; N1080-S1084 WeakPolarHBondContact O-CB 3.13Å; N1080-S1084 PolarHBondContact O-N 3.24Å; N1080-S1084 PolarHBondContact O-OG 3.11Å
1081	C	46.8	Very low	47.5	Very low	34 Å²	34	82.2 Å²	82.2	23%	0.23	42%	0.42	C	S	.	.	H	α-helix	trans	-68.3	-40.2	172.2	-76.6	0	0	0	0	112.7	V1077 I1078 H1079 N1083 L1085 I1090	V1077-C1081 VanDerWaalsContact O-CB 3.28Å; V1077-C1081 WeakPolarHBondContact O-CB 3.38Å; V1077-C1081 PolarHBondContact O-N 3.39Å; V1077-C1081 PolarHBondContact O-SG 3.37Å; I1078-C1081 PolarHBondContact O-N 3.38Å; H1079-C1081 PolarHBondContact O-N 3.1Å; C1081-N1083 VanDerWaalsContact C-N 3.31Å; C1081-N1083 PolarHBondContact O-N 3.14Å; C1081-L1085 HydrophobicContact CB-CD1 4.48Å; C1081-L1085 VanDerWaalsContact O-CB 3.28Å; C1081-L1085 WeakPolarHBondContact O-CB 3.39Å; C1081-L1085 PolarHBondContact O-N 3.42Å; C1081-L1085 VanDerWaalsContact O-N 3.11Å; C1081-I1090 HydrophobicContact CB-CD1 4.43Å
1082	L	49.8	Very low	47.7	Very low	13 Å²	13	76.9 Å²	76.9	7%	0.068	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-39.8	173.7	-74.1	167.1	0	0	0	111.5	I1078 H1079 N1086 L1087 I1090 I1102	I1078-L1082 HydrophobicContact CG2-CD1 3.87Å; I1078-L1082 HydrophobicContact CG2-CG 4.38Å; I1078-L1082 WeakPolarHBondContact O-CB 3.49Å; I1078-L1082 VanDerWaalsContact O-CG 3.28Å; I1078-L1082 WeakPolarHBondContact O-CG 3.07Å; I1078-L1082 PolarHBondContact O-N 3.23Å; H1079-L1082 PolarHBondContact O-N 3.12Å; L1082-N1086 PolarHBondContact O-N 3.13Å; L1082-L1087 HydrophobicContact CD2-CB 4.3Å; L1082-L1087 VanDerWaalsContact CD2-O 3.29Å; L1082-L1087 WeakPolarHBondContact CD2-O 3.37Å; L1082-L1087 PolarHBondContact O-N 2.85Å; L1082-I1090 HydrophobicContact CD2-CD1 3.67Å; L1082-I1090 HydrophobicContact CD2-CG1 3.76Å; L1082-I1090 HydrophobicContact CG-CD1 3.8Å; L1082-I1090 HydrophobicContact CG-CG1 4.43Å; L1082-I1102 HydrophobicContact CD1-CG2 4.19Å
1083	N	52.1	Low	47.7	Very low	69 Å²	69	73.7 Å²	73.7	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-75.8	-49.7	-178.7	-67.6	-12.2	0	0	0	112.8	H1079 N1080 C1081 R1104	H1079-N1083 PolarHBondContact CD2-ND2 3.08Å; H1079-N1083 PolarHBondContact NE2-ND2 3.41Å; H1079-N1083 WeakPolarHBondContact O-CB 3.39Å; H1079-N1083 PolarHBondContact O-N 3.45Å; H1079-N1083 PolarHBondContact O-ND2 2.82Å; N1080-N1083 PolarHBondContact O-N 3.25Å; C1081-N1083 VanDerWaalsContact C-N 3.31Å; C1081-N1083 PolarHBondContact O-N 3.14Å; N1083-R1104 PolarHBondContact OD1-NH2 3.27Å
1084	S	50	Low	47.7	Very low	93 Å²	93	68.1 Å²	68.1	65%	0.65	36%	0.357	S	S	*	.	H	α-helix	trans	-76.3	-34.5	-175.3	59.7	0	0	0	0	114.4	N1080	N1080-S1084 VanDerWaalsContact O-CB 3.27Å; N1080-S1084 WeakPolarHBondContact O-CB 3.13Å; N1080-S1084 PolarHBondContact O-N 3.24Å; N1080-S1084 PolarHBondContact O-OG 3.11Å
1085	L	37.9	Very low	47.2	Very low	112 Å²	112	74.9 Å²	74.9	59%	0.586	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	4.2	-179.3	-55.8	174.1	0	0	0	112.9	C1081 L1087	C1081-L1085 HydrophobicContact CB-CD1 4.48Å; C1081-L1085 VanDerWaalsContact O-CB 3.28Å; C1081-L1085 WeakPolarHBondContact O-CB 3.39Å; C1081-L1085 PolarHBondContact O-N 3.42Å; C1081-L1085 VanDerWaalsContact O-N 3.11Å; L1085-L1087 HydrophobicContact CB-CD1 3.84Å; L1085-L1087 HydrophobicContact CB-CG 3.77Å; L1085-L1087 HydrophobicContact CD1-CD1 4.08Å; L1085-L1087 PolarHBondContact O-N 2.72Å
1086	N	47.5	Very low	46.9	Very low	127 Å²	127	71.8 Å²	71.8	68%	0.679	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	39.5	179.8	-153	5.4	0	0	0	113.9	L1082 R1104	L1082-N1086 PolarHBondContact O-N 3.13Å; N1086-R1104 PolarHBondContact OD1-NH1 3.21Å
1087	L	41.2	Very low	46.3	Very low	68 Å²	68	76.6 Å²	76.6	36%	0.356	41%	0.405	S	S	.	.			trans	-85.7	123.6	-172.6	-67.3	172.4	0	0	0	111.5	L1082 L1085 K1089 I1090	L1082-L1087 HydrophobicContact CD2-CB 4.3Å; L1082-L1087 VanDerWaalsContact CD2-O 3.29Å; L1082-L1087 WeakPolarHBondContact CD2-O 3.37Å; L1082-L1087 PolarHBondContact O-N 2.85Å; L1085-L1087 HydrophobicContact CB-CD1 3.84Å; L1085-L1087 HydrophobicContact CB-CG 3.77Å; L1085-L1087 HydrophobicContact CD1-CD1 4.08Å; L1085-L1087 PolarHBondContact O-N 2.72Å; L1087-K1089 PolarHBondContact O-N 3.16Å; L1087-I1090 HydrophobicContact CD1-CD1 4.18Å; L1087-I1090 HydrophobicContact CD1-CG1 4.22Å
1088	M	43.6	Very low	45.9	Very low	99 Å²	99	79 Å²	79	49%	0.488	42%	0.424	S	S	.	.	S	Bend	trans	-69.3	-29.9	176.8	-72.7	-84.4	-76.7	0	0	113.4	S1103 R1104	M1088-S1103 WeakPolarHBondContact O-CA 3.22Å; M1088-R1104 PolarHBondContact O-N 2.88Å
1089	K	44.9	Very low	45.7	Very low	129 Å²	129	83.1 Å²	83.1	56%	0.561	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.1	-175.6	-57.6	-171.8	178	178.3	0	111.3	L1087 I1102	L1087-K1089 PolarHBondContact O-N 3.16Å; K1089-I1102 CarbonylContact C-O 3.55Å; K1089-I1102 WeakPolarHBondContact CA-O 3.26Å
1090	I	47.1	Very low	45.6	Very low	19 Å²	19	81.1 Å²	81.1	10%	0.097	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.8	167.7	-63	179.6	0	0	0	108.2	C1081 L1082 L1087 I1092 I1102	C1081-I1090 HydrophobicContact CB-CD1 4.43Å; L1082-I1090 HydrophobicContact CD2-CD1 3.67Å; L1082-I1090 HydrophobicContact CD2-CG1 3.76Å; L1082-I1090 HydrophobicContact CG-CD1 3.8Å; L1082-I1090 HydrophobicContact CG-CG1 4.43Å; L1087-I1090 HydrophobicContact CD1-CD1 4.18Å; L1087-I1090 HydrophobicContact CD1-CG1 4.22Å; I1090-I1092 HydrophobicContact CG2-CD1 4.18Å; I1090-I1092 HydrophobicContact CG2-CG1 3.75Å; I1090-I1102 PolarHBondContact N-O 3.38Å; I1090-I1102 PolarHBondContact O-N 2.78Å; I1090-I1102 VanDerWaalsContact O-O 3.14Å
1091	E	43.9	Very low	45.3	Very low	68 Å²	68	84.5 Å²	84.5	32%	0.318	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.1	174.9	-66.2	-175.2	164.4	0	0	109.2	W1099 V1100 R1101	E1091-W1099 HydrophobicContact CB-CE3 4.13Å; E1091-W1099 HydrophobicContact CB-CZ3 4.49Å; E1091-V1100 WeakPolarHBondContact CA-O 3.41Å; E1091-R1101 HydrophobicContact CG-CB 4.37Å; E1091-R1101 HydrophobicContact CG-CG 4.27Å; E1091-R1101 IonicContact OE1-CZ 2.74Å; E1091-R1101 IonicContact OE1-NE 3.86Å; E1091-R1101 PolarHBondContact OE1-NE 2.53Å; E1091-R1101 IonicContact OE1-NH2 3.59Å; E1091-R1101 PolarHBondContact OE1-NH2 3.48Å
1092	I	46.1	Very low	45.7	Very low	12 Å²	12	85.6 Å²	85.6	6%	0.062	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.2	-174.9	-50.7	-176.4	0	0	0	108.3	I1067 I1078 I1090 V1100 I1102	I1067-I1092 HydrophobicContact CD1-CD1 4.41Å; I1078-I1092 HydrophobicContact CD1-CD1 3.29Å; I1078-I1092 HydrophobicContact CG1-CD1 3.79Å; I1090-I1092 HydrophobicContact CG2-CD1 4.18Å; I1090-I1092 HydrophobicContact CG2-CG1 3.75Å; I1092-V1100 PolarHBondContact N-O 2.93Å; I1092-V1100 PolarHBondContact O-N 3.11Å; I1092-I1102 HydrophobicContact CD1-CD1 4.04Å
1093	K	44	Very low	45.5	Very low	51 Å²	51	88.1 Å²	88.1	22%	0.222	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	106.8	172.7	-172.5	-165.7	172.3	-146.6	0	109.1	W1099	K1093-W1099 HydrophobicContact CB-CD2 4.18Å; K1093-W1099 HydrophobicContact CB-CE3 3.83Å; K1093-W1099 HydrophobicContact CB-CH2 3.86Å; K1093-W1099 HydrophobicContact CB-CZ2 4.25Å; K1093-W1099 HydrophobicContact CB-CZ3 3.67Å; K1093-W1099 HydrophobicContact CD-CH2 4.37Å; K1093-W1099 HydrophobicContact CD-CZ2 4.1Å
1094	L	46.7	Very low	45.3	Very low	31 Å²	31	89.6 Å²	89.6	16%	0.162	46%	0.461	C	S	.	.			trans	-73.9	148.1	167	-63.8	164.4	0	0	0	109.1	R1097	L1094-R1097 HydrophobicContact CB-CB 4.32Å; L1094-R1097 PolarHBondContact O-N 2.97Å
1095	E	38.3	Very low	45	Very low	170 Å²	170	93.3 Å²	93.3	79%	0.794	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	143.2	179.9	-163.2	149.1	-129.8	0	0	111.4	R1097	E1095-R1097 PolarHBondContact O-N 3.16Å
1096	G	42.5	Very low	45.2	Very low	84 Å²	84	97.3 Å²	97.3	87%	0.866	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	-9	-172.9	0	0	0	0	0	117
1097	R	38.7	Very low	44.6	Very low	160 Å²	160	97.6 Å²	97.6	60%	0.604	48%	0.477	S	S	*	.	S	Bend	trans	-112.5	167.2	-173.8	-68.1	-175.5	176.8	170.6	1.7	114.3	L1094 E1095	L1094-R1097 HydrophobicContact CB-CB 4.32Å; L1094-R1097 PolarHBondContact O-N 2.97Å; E1095-R1097 PolarHBondContact O-N 3.16Å
1098	S	44.7	Very low	44.2	Very low	97 Å²	97	106.4 Å²	106.4	68%	0.678	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.1	168.5	171.4	49.2	0	0	0	0	112.3	V1100	S1098-V1100 PolarHBondContact O-N 3.3Å
1099	W	47.3	Very low	43.4	Very low	110 Å²	110	108.4 Å²	108.4	42%	0.417	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69	123.7	177.9	-70.3	94.1	0	0	0	111.3	R1064 E1091 K1093	R1064-W1099 HydrophobicContact CG-CH2 4.24Å; R1064-W1099 HydrophobicContact CG-CZ3 4.37Å; R1064-W1099 VanDerWaalsContact CZ-CH2 3.45Å; E1091-W1099 HydrophobicContact CB-CE3 4.13Å; E1091-W1099 HydrophobicContact CB-CZ3 4.49Å; K1093-W1099 HydrophobicContact CB-CD2 4.18Å; K1093-W1099 HydrophobicContact CB-CE3 3.83Å; K1093-W1099 HydrophobicContact CB-CH2 3.86Å; K1093-W1099 HydrophobicContact CB-CZ2 4.25Å; K1093-W1099 HydrophobicContact CB-CZ3 3.67Å; K1093-W1099 HydrophobicContact CD-CH2 4.37Å; K1093-W1099 HydrophobicContact CD-CZ2 4.1Å
1100	V	50.5	Low	43.3	Very low	68 Å²	68	107.4 Å²	107.4	41%	0.412	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	121.5	169.3	-177.2	0	0	0	0	108.1	E1091 I1092 S1098 I1102	E1091-V1100 WeakPolarHBondContact CA-O 3.41Å; I1092-V1100 PolarHBondContact N-O 2.93Å; I1092-V1100 PolarHBondContact O-N 3.11Å; S1098-V1100 PolarHBondContact O-N 3.3Å; V1100-I1102 HydrophobicContact CG1-CG1 4.28Å
1101	R	48.1	Very low	43.1	Very low	161 Å²	161	112 Å²	112	61%	0.608	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.6	120	175.8	177.6	-178.9	-76.9	161	-3.4	109.2	E1091	E1091-R1101 HydrophobicContact CG-CB 4.37Å; E1091-R1101 HydrophobicContact CG-CG 4.27Å; E1091-R1101 IonicContact OE1-CZ 2.74Å; E1091-R1101 IonicContact OE1-NE 3.86Å; E1091-R1101 PolarHBondContact OE1-NE 2.53Å; E1091-R1101 IonicContact OE1-NH2 3.59Å; E1091-R1101 PolarHBondContact OE1-NH2 3.48Å
1102	I	54.5	Low	43.1	Very low	57 Å²	57	114.4 Å²	114.4	29%	0.292	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.3	133.4	173.8	-55.3	177.3	0	0	0	107.5	I1078 L1082 K1089 I1090 I1092 V1100	I1078-I1102 HydrophobicContact CD1-CD1 4.19Å; I1078-I1102 HydrophobicContact CG2-CD1 4.08Å; L1082-I1102 HydrophobicContact CD1-CG2 4.19Å; K1089-I1102 CarbonylContact C-O 3.55Å; K1089-I1102 WeakPolarHBondContact CA-O 3.26Å; I1090-I1102 PolarHBondContact N-O 3.38Å; I1090-I1102 PolarHBondContact O-N 2.78Å; I1090-I1102 VanDerWaalsContact O-O 3.14Å; I1092-I1102 HydrophobicContact CD1-CD1 4.04Å; V1100-I1102 HydrophobicContact CG1-CG1 4.28Å
1103	S	46.3	Very low	42.9	Very low	66 Å²	66	120.5 Å²	120.5	46%	0.462	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.8	138.4	178.9	52.5	0	0	0	0	110.3	M1088 Q1105	M1088-S1103 WeakPolarHBondContact O-CA 3.22Å; S1103-Q1105 PolarHBondContact O-N 3.07Å
1104	R	47.4	Very low	42.8	Very low	100 Å²	100	124.8 Å²	124.8	38%	0.377	65%	0.645	S	S	.	*			trans	-59.5	123.7	164.1	-84.2	174.9	159.8	-174.3	-10.7	108.1	N1083 N1086 M1088	N1083-R1104 PolarHBondContact OD1-NH2 3.27Å; N1086-R1104 PolarHBondContact OD1-NH1 3.21Å; M1088-R1104 PolarHBondContact O-N 2.88Å
1105	Q	44.5	Very low	42.6	Very low	170 Å²	170	131.1 Å²	131.1	79%	0.794	68%	0.678	S	S	*	*			trans	-59.8	141.9	156.6	-104.7	164.1	-87.5	0	0	107.7	S1103	S1103-Q1105 PolarHBondContact O-N 3.07Å
1106	R	41.5	Very low	42.9	Very low	197 Å²	197	128.3 Å²	128.3	74%	0.743	67%	0.669	S	S	*	*			trans	-97.4	109.7	160	-83.5	-175.1	173	-178.9	-5.6	105.5
1107	D	35.6	Very low	42.9	Very low	133 Å²	133	131.7 Å²	131.7	71%	0.711	65%	0.654	S	S	*	*			trans	-61.7	139.5	169	-54.4	-52.5	0	0	0	108.9
1108	R	31	Very low	43.2	Very low	252 Å²	252	129.3 Å²	129.3	95%	0.951	66%	0.658	S	S	*	*			trans	-130.1	84.4	176.6	-83.7	-176	164.5	-169.8	-4.4	104.9
1109	G	27.3	Very low	43.1	Very low	141 Å²	141	132.3 Å²	132.3	100%	1.454	66%	0.656	S	S	*	*			trans	126.9	0	-155.7	0	0	0	0	0	106.9

Retrieved 1,109 of 1,109 residues in 434.3 ms (Link to these results)

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