A0A5K4FFM3_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,037 aa.

						>A0A5K4FFM3_SCHMA|A0A5K4FFM3
MNTIDHKQNCDSKNRGDAFSIKAKDRWRLLRDRILQYKSYSYSQPSVYSNVDRIFGYSLLKRSASFSSCIIEQVLYLPRENGRIAIKTPSSIKVYDLKQFKLINEVLLTENENKNAFSQSYNRLAYASKVDAFIGWKPGGNTLWPLSCENLENIGIPSTTKNQLIGVFSNFDSGSIFSLELKSFKTFSNDYCWIIFARHWQFQFTEIQLIPNKCVPVLILKNYISFSSPSCREELFTKIVTCPLLKTLLETYEFPSQLISFEEKCSHNCQLLIGWKCSAWLRCMQFNRHFSSMSYNNDYDENDAKLLEMINFQTFENSVINHQSQITAVLYISPLNILITGDKCGTIKTWNTDQVQLSILHGHLGEIIHFSAHRWDLIRPQKFYSTSPSFVSISKDGLMKCWQFWQSHYIYLKNDGSESLNLSRIVSDNGTTENTIKEVDSRQTLMNLYSKILSTKTSASNTVHTIHDITVKRDTGEIVLVGVCGDISSCKIHEKCQQEYYLEHWTISEPCSPMAEFPQIVKNISFIRLNDLYDIVNPAADKSSNLAEYQNDNSINIAVVICEGKPGSVHLLSTLNGSILTTAVCEDTVEDATWHWMLEKLFILQSNGDIAVFSTCSRPCSLLSIWSSSEDDVFYRGPLLLYPVHSPDYFKLFLEDEKSSDYLPPVILLLLVGQSDGSLVVLCTKEGIIMSKTPKYSTIKSSNNLPEVDQKQHISSIKSNPIFGRLYTITLDGTLKVWQLITPLPIGIQIQKLDIFQRDKSNLRVYFTRFPFEIINNTDIYCIYTAKNYSLPEVGKTDVNCVTNSCYYNAICAEVTNPGDTYSMFDFITTRYFDSAYLNHENTTLLKDICIGLTNISILNKHFEKTPMIEQIFLTITTDPVEQEGLYLKVWQTIFDYNMGNEYHFRNSNGLKRTSIKTLQRLQMLVDSGDTGIVSLKCGLQLINTLRLPYPTGSRISKAVCRIVSIPSNGDILLTINNSIYLLHYKTLNKYFRLRSYLLNLMNRSIENKMIPHILQNVIRKREWNIDGLRKMNDVTLSMVCNIRQPVDHSLEEKLTAQNLSEKSKIFTKLKERDIDLKEISQIKFAKTLSKRHYHIDYASTQEARRIAFNNYYEKILSRQCLNLTSYSKELNNEEDEEITLLKERLLTTEQTYSQIQIEASVKKRLVKTSKQKLIKYHRTGKKQKLPQPSEDLSLVKHQETIKLPVITDNKESDLLINQRTNGFFPRAILLESGRSKYGWAPNSLLLGKYYSRLSHSGVDDKKNMNEFNWADAEARSARSSINGLESTLTSDSSIGWIVESDKELTMFSKEMSDGDIIDENTDKKLLASRFVDIDKSMDPIVSLSTLQNEISTEMERSQMSITEKSTPSSKKRNVIAKTDLKQSYLKETDLLSNLIERQAPGRPKYERENTIFLTEFTNTDSPGKIDIFLLPEFLQSFRNSRWLSIMGLLNGQEPEGWSDFNAGSNLDCFIQWLFWTNIIPKLCSQATLPCIEDEDPYLCQTISQFCTDFKTLFTDHQLSVKYIPKLHHCLTGCIINELGKTIEFKGWKMLEAVTTLLITFGFHDIDTVVILLVLYVKVLLTTEKDDPHYPEEIKNANLTHYIHRSLESLGFQIKYCNYLEEELSKLENIERNVKINPPKEVIHLHDCIHLVKNIETLNCWIKFYRLLSVWLENWFRQSNEITSKNKSPKLGNQLKSILHTTNNSTIKIKSINREVKWSKNANEVREEFITNDGIQALNTFVNWCHEQRLLKLREQAKAEQLHIDKLKQHINETEKETIIQMKNVNNDDDIQQHKVVMLLPPLNELERCVVRLGESYVTERRKCCKTENILQPWVKNVRQTKHGDIMKSQSLRDPTQPSYAQPWKSYKNALTGHFPPKIHIKPTECNLLPFDEHQPFKETLKQKLSQIQTLQVKVTNLKKENISKHIIPSIVNEMDSKDLDDYHKFLCSLIYDEEKRSNSIVHWFIPIMSSCLLPLPMKQRKLPDIKLPYLCLKLPYEKVERDGDDYGEDECEMLTKNYFCISDDLSTEFMSTPQND
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	29.9	Very low	230 Å²	230	140.7 Å²	140.7	100%	1.133	73%	0.73	S	S	*	*				0	138.7	0	-65.8	166.3	167.6	0	0	108.2
2	N	33.1	Very low	30	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	74%	0.738	S	S	*	*			cis	-141.4	109	-24.4	-87.9	2	0	0	0	103.8
3	T	28.3	Very low	29.7	Very low	110 Å²	110	142.5 Å²	142.5	68%	0.675	74%	0.744	S	S	*	*				62.2	125	84.5	60.4	0	0	0	0	115.8
4	I	32.1	Very low	29.8	Very low	150 Å²	150	143.3 Å²	143.3	77%	0.769	75%	0.749	S	S	*	*			trans	85.4	92.3	142.3	-67.8	165.1	0	0	0	118.2
5	D	29.5	Very low	29.4	Very low	127 Å²	127	150.1 Å²	150.1	68%	0.679	76%	0.761	S	S	*	*				70.6	157.2	103.1	-109.8	-52.2	0	0	0	124.1
6	H	32.6	Very low	29.3	Very low	130 Å²	130	145.4 Å²	145.4	60%	0.602	76%	0.762	S	S	*	*			trans	71.5	148	150.4	-77	24.7	0	0	0	119.4
7	K	27.8	Very low	29	Very low	141 Å²	141	147 Å²	147	61%	0.613	77%	0.771	S	S	*	*			cis	-167.3	164.1	-20	-122.7	178.4	-170.2	156.9	0	110.5
8	Q	29.5	Very low	28.8	Very low	147 Å²	147	143.7 Å²	143.7	69%	0.687	77%	0.768	S	S	*	*			trans	66.8	120.7	143	-77	175.3	-50.1	0	0	122.7
9	N	29	Very low	28.6	Very low	130 Å²	130	146 Å²	146	70%	0.695	77%	0.771	S	S	*	*				108.6	128.5	114.8	-79.7	10.6	0	0	0	122.8
10	C	28.5	Very low	28.6	Very low	95 Å²	95	144.6 Å²	144.6	64%	0.642	77%	0.774	S	S	*	*			trans	74.3	92.9	135.1	-64.8	0	0	0	0	120.6
11	D	26.7	Very low	28.6	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	77%	0.765	S	S	*	*				77.3	159.3	111.5	-81.8	-61.4	0	0	0	123.9
12	S	30.5	Very low	28.4	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	75%	0.75	S	S	*	*			trans	89.3	115.8	161.6	77.1	0	0	0	0	119.2
13	K	27	Very low	28.3	Very low	187 Å²	187	140 Å²	140	81%	0.813	76%	0.759	S	S	*	*			trans	-62.6	141.5	169.8	-51.8	149.4	-179.4	169.7	0	110.4
14	N	30.2	Very low	28.2	Very low	153 Å²	153	142 Å²	142	82%	0.818	76%	0.759	S	S	*	*				175.9	168.5	104.6	-94.2	-47.1	0	0	0	115.2
15	R	25.1	Very low	28	Very low	246 Å²	246	140.4 Å²	140.4	93%	0.928	75%	0.752	S	S	*	*			trans	-62.3	149.2	178.7	-53	164.9	179.9	164.7	-2.8	113.1
16	G	26.6	Very low	27.8	Very low	75 Å²	75	141.2 Å²	141.2	77%	0.773	75%	0.745	S	S	*	*			trans	172.4	126.9	162.2	0	0	0	0	0	113
17	D	24.4	Very low	27.5	Very low	172 Å²	172	145.6 Å²	145.6	92%	0.92	76%	0.756	S	S	*	*			trans	-80.9	173.1	175.6	-62.6	-82.3	0	0	0	113.1
18	A	25.2	Very low	27.6	Very low	87 Å²	87	150.2 Å²	150.2	72%	0.719	77%	0.77	S	S	*	*			trans	110.8	108.2	152.3	0	0	0	0	0	120.3
19	F	25.3	Very low	27.6	Very low	188 Å²	188	149.5 Å²	149.5	83%	0.825	77%	0.77	S	S	*	*			trans	59.7	114.8	133.6	-77.8	-88	0	0	0	122.8	I21	F19-I21 HydrophobicContact CD1-CD1 3.86Å; F19-I21 HydrophobicContact CD1-CG1 4.37Å; F19-I21 HydrophobicContact CE1-CD1 4.48Å
20	S	29.7	Very low	27.5	Very low	118 Å²	118	148 Å²	148	83%	0.825	76%	0.762	S	S	*	*				178.3	169.6	110.4	49.5	0	0	0	0	111.5
21	I	26.7	Very low	27.5	Very low	115 Å²	115	153.9 Å²	153.9	59%	0.59	77%	0.771	S	S	*	*				-166.3	146.1	-61.5	-107	163.4	0	0	0	107.5	F19	F19-I21 HydrophobicContact CD1-CD1 3.86Å; F19-I21 HydrophobicContact CD1-CG1 4.37Å; F19-I21 HydrophobicContact CE1-CD1 4.48Å
22	K	29.5	Very low	27.6	Very low	189 Å²	189	152.8 Å²	152.8	82%	0.822	76%	0.764	S	S	*	*			trans	78	146.6	-172	-52.6	155.2	-176.9	175.8	0	113.2
23	A	29.9	Very low	27.5	Very low	111 Å²	111	157.3 Å²	157.3	92%	0.917	76%	0.764	S	S	*	*	S	Bend	cis	-73	163.3	-2.7	0	0	0	0	0	113.4
24	K	25.6	Very low	27.5	Very low	153 Å²	153	155.1 Å²	155.1	67%	0.665	76%	0.759	S	S	*	*			trans	-152.1	158.6	-162.4	-142.4	-179.9	155.9	-102.2	0	110.8
25	D	27.9	Very low	27.2	Very low	116 Å²	116	154.6 Å²	154.6	62%	0.62	76%	0.756	S	S	*	*			trans	59.3	110	158.3	-50.5	-40.3	0	0	0	119.2
26	R	25.6	Very low	27.2	Very low	143 Å²	143	151 Å²	151	54%	0.54	75%	0.749	S	S	.	*	S	Bend	trans	-177	-48.5	133.6	-100.1	176.9	-163.3	-155	10.4	113.3	R28 L29 D2037	R26-R28 VanDerWaalsContact C-N 3.35Å; R26-R28 PolarHBondContact O-N 3.09Å; R26-L29 PolarHBondContact O-N 3.14Å; R26-L29 VanDerWaalsContact O-N 3.15Å; R26-D2037 HydrophobicContact CG-CB 4.43Å; R26-D2037 IonicContact CZ-OD1 3.44Å; R26-D2037 IonicContact NE-OD1 3.9Å; R26-D2037 PolarHBondContact NE-OXT 3.13Å; R26-D2037 PolarHBondContact NH1-OXT 3.36Å; R26-D2037 IonicContact NH2-OD1 2.66Å; R26-D2037 PolarHBondContact NH2-OD1 2.91Å
27	W	27.3	Very low	27.2	Very low	222 Å²	222	157.7 Å²	157.7	84%	0.841	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-5.7	-169.7	-86.6	85.6	0	0	0	117.7	L29 L30	W27-L29 VanDerWaalsContact C-N 3.33Å; W27-L30 HydrophobicContact CH2-CD2 4.47Å; W27-L30 HydrophobicContact CZ3-CD2 4.13Å
28	R	29.2	Very low	27.2	Very low	239 Å²	239	158.3 Å²	158.3	90%	0.902	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-13.4	167.7	-91.3	-174.2	176.6	173.9	-0.4	113.8	R26	R26-R28 VanDerWaalsContact C-N 3.35Å; R26-R28 PolarHBondContact O-N 3.09Å
29	L	28.9	Very low	27.1	Very low	132 Å²	132	159 Å²	159	69%	0.691	75%	0.747	S	S	*	*	S	Bend	trans	-91.1	-11.3	-174.1	-105.6	156	0	0	0	114.9	R26 W27	R26-L29 PolarHBondContact O-N 3.14Å; R26-L29 VanDerWaalsContact O-N 3.15Å; W27-L29 VanDerWaalsContact C-N 3.33Å
30	L	27.8	Very low	27.1	Very low	98 Å²	98	161 Å²	161	51%	0.513	75%	0.75	S	S	.	*	S	Bend	trans	-85	-22	178.2	-147.6	79.7	0	0	0	113.3	W27 D32 R33	W27-L30 HydrophobicContact CH2-CD2 4.47Å; W27-L30 HydrophobicContact CZ3-CD2 4.13Å; L30-D32 VanDerWaalsContact C-N 3.35Å; L30-D32 PolarHBondContact O-N 3.23Å; L30-R33 PolarHBondContact O-N 3.11Å
31	R	28.1	Very low	26.7	Very low	219 Å²	219	160.2 Å²	160.2	83%	0.826	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-69.9	-30.4	-170.8	-138.6	178.2	-162.3	-168.6	4.5	113.2
32	D	29.5	Very low	26.7	Very low	127 Å²	127	165.4 Å²	165.4	68%	0.679	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-91.9	-4.4	-177.6	-58.4	-33.8	0	0	0	113.6	L30	L30-D32 VanDerWaalsContact C-N 3.35Å; L30-D32 PolarHBondContact O-N 3.23Å
33	R	27.1	Very low	26.4	Very low	214 Å²	214	161.3 Å²	161.3	81%	0.808	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-95.6	2.7	179.9	-81.2	-171	172	-176.1	-0.5	115.1	L30	L30-R33 PolarHBondContact O-N 3.11Å
34	I	27.8	Very low	26.4	Very low	141 Å²	141	164.3 Å²	164.3	72%	0.723	75%	0.749	S	S	*	*			trans	-105.9	48.9	174	-43.3	-175.3	0	0	0	110.3
35	L	24.1	Very low	26.2	Very low	142 Å²	142	163.1 Å²	163.1	74%	0.743	76%	0.757	S	S	*	*			trans	-120.8	54.7	178.7	-99.6	173.5	0	0	0	111.5
36	Q	25.3	Very low	26	Very low	169 Å²	169	162.7 Å²	162.7	79%	0.79	76%	0.763	S	S	*	*			trans	-166.1	175.6	166.1	-108.6	151.9	53.2	0	0	111.9
37	Y	26.4	Very low	25.9	Very low	216 Å²	216	162 Å²	162	85%	0.847	78%	0.775	S	S	*	*			trans	70.3	65.1	-179.4	-67.3	-79.4	0	0	0	117.9
38	K	24.6	Very low	25.8	Very low	186 Å²	186	162.9 Å²	162.9	81%	0.809	78%	0.779	S	S	*	*			trans	-20.4	140.4	141.9	-66.5	175.5	174.1	177	0	116.5
39	S	22.9	Very low	25.5	Very low	101 Å²	101	155.3 Å²	155.3	71%	0.706	76%	0.763	S	S	*	*			trans	21.4	118.8	142.4	62	0	0	0	0	120.3
40	Y	25.8	Very low	25.2	Very low	229 Å²	229	157.4 Å²	157.4	90%	0.898	78%	0.775	S	S	*	*			trans	-135.2	137.5	142.5	-90.3	-81.6	0	0	0	110.6
41	S	21.7	Very low	25	Very low	103 Å²	103	158.3 Å²	158.3	72%	0.72	79%	0.785	S	S	*	*			trans	-135.3	121.3	178.6	53	0	0	0	0	108.8
42	Y	25.5	Very low	24.9	Very low	224 Å²	224	152.3 Å²	152.3	88%	0.878	77%	0.769	S	S	*	*			trans	-144.1	159.6	172.2	-106.2	-77.9	0	0	0	112.7
43	S	23.9	Very low	24.7	Very low	103 Å²	103	155.9 Å²	155.9	72%	0.72	77%	0.773	S	S	*	*			trans	-95.1	168	-159.1	49.8	0	0	0	0	115.3
44	Q	28.7	Very low	24.6	Very low	173 Å²	173	150.8 Å²	150.8	81%	0.808	76%	0.761	S	S	*	*			trans	-61.4	164.8	174.8	-63.8	179.8	-18.2	0	0	113.5
45	P	22.7	Very low	24.8	Very low	128 Å²	128	148.3 Å²	148.3	83%	0.831	75%	0.745	S	S	*	*				-122.3	158.5	119.3	36.3	-33.8	0	0	0	113.4
46	S	23.2	Very low	25.1	Very low	108 Å²	108	143.4 Å²	143.4	76%	0.755	73%	0.728	S	S	*	*			trans	-94.4	121.7	-172.9	54.9	0	0	0	0	113.9
47	V	23.5	Very low	25.3	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	71%	0.714	S	S	*	*			trans	-141	138.1	162.4	-176.5	0	0	0	0	110	S49	V47-S49 PolarHBondContact O-N 2.66Å
48	Y	24.2	Very low	25.6	Very low	240 Å²	240	132.7 Å²	132.7	94%	0.941	69%	0.685	S	S	*	*			trans	-59	114.9	176.6	-77.8	-105.7	0	0	0	111.7
49	S	23	Very low	26.1	Very low	81 Å²	81	128.1 Å²	128.1	57%	0.566	67%	0.669	S	S	*	*			trans	-160.5	143.9	173.8	54.6	0	0	0	0	113.9	V47 V51	V47-S49 PolarHBondContact O-N 2.66Å; S49-V51 VanDerWaalsContact C-N 3.31Å; S49-V51 PolarHBondContact O-N 3.08Å; S49-V51 VanDerWaalsContact O-N 3.13Å
50	N	24.5	Very low	26.7	Very low	176 Å²	176	124.1 Å²	124.1	94%	0.941	64%	0.64	S	S	*	*			trans	-80	76.3	166.7	-73.1	-33.9	0	0	0	108.9
51	V	22.8	Very low	27.2	Very low	117 Å²	117	121.3 Å²	121.3	71%	0.709	63%	0.632	S	S	*	*			trans	-143.2	140.9	-167.8	157.2	0	0	0	0	112.1	S49	S49-V51 VanDerWaalsContact C-N 3.31Å; S49-V51 PolarHBondContact O-N 3.08Å; S49-V51 VanDerWaalsContact O-N 3.13Å
52	D	24.8	Very low	27.9	Very low	92 Å²	92	125.9 Å²	125.9	49%	0.492	63%	0.634	S	S	.	*			cis	-155.9	179.1	-32.8	-162.4	11.1	0	0	0	108.5	I54	D52-I54 PolarHBondContact O-N 3.01Å
53	R	26.9	Very low	28.3	Very low	203 Å²	203	117 Å²	117	77%	0.766	60%	0.604	S	S	*	*			trans	-43.2	112.6	170	-48.8	134.1	-179	143.3	-13.1	114.7
54	I	25.3	Very low	28.9	Very low	107 Å²	107	116.8 Å²	116.8	55%	0.549	61%	0.609	S	S	.	*			trans	-137.3	102.9	149.2	-59.4	87.1	0	0	0	110	D52	D52-I54 PolarHBondContact O-N 3.01Å
55	F	30.8	Very low	29.2	Very low	89 Å²	89	113.1 Å²	113.1	39%	0.39	60%	0.602	S	S	.	*	S	Bend	trans	-146.8	-44.3	147.5	-122.4	-88.9	0	0	0	111.3	Y57 S58 L59 F1067	F55-Y57 VanDerWaalsContact C-N 3.3Å; F55-Y57 PolarHBondContact O-N 3.44Å; F55-S58 WeakPolarHBondContact CA-OG 3.5Å; F55-S58 PolarHBondContact O-N 2.8Å; F55-S58 VanDerWaalsContact O-N 3.12Å; F55-S58 PolarHBondContact O-OG 3.3Å; F55-L59 PolarHBondContact O-N 3.43Å; F55-L59 VanDerWaalsContact O-N 3.12Å; F55-F1067 HydrophobicContact CD2-CD1 4.42Å; F55-F1067 AromaticContact CD2-CE1 3.9Å; F55-F1067 HydrophobicContact CD2-CE1 3.9Å; F55-F1067 HydrophobicContact CE1-CE1 4.43Å; F55-F1067 HydrophobicContact CE2-CD1 4.18Å; F55-F1067 AromaticContact CE2-CE1 3.66Å; F55-F1067 HydrophobicContact CE2-CE1 3.66Å; F55-F1067 HydrophobicContact CG-CE1 4.42Å; F55-F1067 AromaticContact CZ-CE1 3.95Å; F55-F1067 HydrophobicContact CZ-CE1 3.95Å
56	G	30.1	Very low	30	Very low	39 Å²	39	108.3 Å²	108.3	40%	0.402	57%	0.568	S	S	.	*	H	α-helix	trans	-57.2	-40.2	169.2	0	0	0	0	0	113.2	S58 L59 L60	G56-S58 VanDerWaalsContact C-N 3.27Å; G56-S58 PolarHBondContact O-N 2.91Å; G56-L59 PolarHBondContact O-N 2.96Å; G56-L60 WeakPolarHBondContact O-CB 3.45Å; G56-L60 WeakPolarHBondContact O-CG 3.32Å; G56-L60 PolarHBondContact O-N 3.15Å
57	Y	30.3	Very low	30.6	Very low	124 Å²	124	108.4 Å²	108.4	49%	0.486	57%	0.569	S	S	.	*	H	α-helix	trans	-65.5	-27.1	178	-142.1	-88.2	0	0	0	113.5	F55 K61	F55-Y57 VanDerWaalsContact C-N 3.3Å; F55-Y57 PolarHBondContact O-N 3.44Å; Y57-K61 HydrophobicContact CD1-CD 4.5Å; Y57-K61 WeakPolarHBondContact O-CB 3.38Å; Y57-K61 PolarHBondContact O-N 2.84Å
58	S	32.2	Very low	31.4	Very low	35 Å²	35	107.7 Å²	107.7	25%	0.245	57%	0.57	C	S	.	*	H	α-helix	trans	-86.9	-20.9	175.8	41.4	0	0	0	0	114.1	F55 G56 R62	F55-S58 WeakPolarHBondContact CA-OG 3.5Å; F55-S58 PolarHBondContact O-N 2.8Å; F55-S58 VanDerWaalsContact O-N 3.12Å; F55-S58 PolarHBondContact O-OG 3.3Å; G56-S58 VanDerWaalsContact C-N 3.27Å; G56-S58 PolarHBondContact O-N 2.91Å; S58-R62 WeakPolarHBondContact O-CD 3.42Å; S58-R62 VanDerWaalsContact O-CG 3.31Å; S58-R62 WeakPolarHBondContact O-CG 2.78Å
59	L	34.6	Very low	32.3	Very low	91 Å²	91	98.8 Å²	98.8	48%	0.476	54%	0.542	S	S	.	.	H	α-helix	trans	-80	-42.7	169.2	-82.6	157.2	0	0	0	111.1	F55 G56 K61 R62 S63	F55-L59 PolarHBondContact O-N 3.43Å; F55-L59 VanDerWaalsContact O-N 3.12Å; G56-L59 PolarHBondContact O-N 2.96Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 3.23Å; L59-R62 PolarHBondContact O-N 2.67Å; L59-S63 PolarHBondContact O-N 3.42Å; L59-S63 PolarHBondContact O-OG 3.18Å
60	L	36.7	Very low	33.7	Very low	17 Å²	17	100.7 Å²	100.7	9%	0.089	55%	0.545	C	S	.	.	H	α-helix	trans	-64.5	-29.6	174.9	-70.8	165.5	0	0	0	112.8	G56 R62 S63 F66 I71 V74 I86	G56-L60 WeakPolarHBondContact O-CB 3.45Å; G56-L60 WeakPolarHBondContact O-CG 3.32Å; G56-L60 PolarHBondContact O-N 3.15Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 3.21Å; L60-S63 PolarHBondContact O-OG 2.66Å; L60-F66 HydrophobicContact CD2-CD1 3.97Å; L60-F66 HydrophobicContact CD2-CD2 3.92Å; L60-F66 HydrophobicContact CD2-CE1 3.85Å; L60-F66 HydrophobicContact CD2-CE2 3.79Å; L60-F66 HydrophobicContact CD2-CG 3.99Å; L60-F66 HydrophobicContact CD2-CZ 3.74Å; L60-F66 WeakPolarHBondContact O-CB 3.45Å; L60-I71 HydrophobicContact CB-CD1 4.38Å; L60-I71 HydrophobicContact CD1-CD1 4.31Å; L60-V74 HydrophobicContact CD1-CG1 4.36Å; L60-V74 HydrophobicContact CD1-CG2 3.79Å; L60-I86 HydrophobicContact CD1-CD1 4.12Å; L60-I86 HydrophobicContact CD2-CD1 3.6Å
61	K	36.1	Very low	34.7	Very low	170 Å²	170	94 Å²	94	74%	0.739	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.4	169.6	-84.6	-170.2	169.3	-173.6	0	115.4	Y57 L59	Y57-K61 HydrophobicContact CD1-CD 4.5Å; Y57-K61 WeakPolarHBondContact O-CB 3.38Å; Y57-K61 PolarHBondContact O-N 2.84Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 3.23Å
62	R	36.6	Very low	36.2	Very low	199 Å²	199	93 Å²	93	75%	0.751	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-10.8	179.3	-78.6	176.9	172.5	161	-1	114.1	S58 L59 L60	S58-R62 WeakPolarHBondContact O-CD 3.42Å; S58-R62 VanDerWaalsContact O-CG 3.31Å; S58-R62 WeakPolarHBondContact O-CG 2.78Å; L59-R62 PolarHBondContact O-N 2.67Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 3.21Å
63	S	33.5	Very low	37.2	Very low	37 Å²	37	92.2 Å²	92.2	26%	0.259	49%	0.489	S	S	.	.			trans	-87.3	123.1	175	35.4	0	0	0	0	110.4	L59 L60 S65 F66	L59-S63 PolarHBondContact O-N 3.42Å; L59-S63 PolarHBondContact O-OG 3.18Å; L60-S63 PolarHBondContact O-OG 2.66Å; S63-S65 PolarHBondContact O-N 3.38Å; S63-F66 PolarHBondContact O-N 3.15Å; S63-F66 VanDerWaalsContact O-N 3.12Å; S63-F66 WeakPolarHBondContact OG-CD2 3.37Å
64	A	35.8	Very low	38.3	Very low	98 Å²	98	85 Å²	85	81%	0.81	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.6	179.6	0	0	0	0	0	114
65	S	36.5	Very low	39.4	Very low	96 Å²	96	84 Å²	84	67%	0.671	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.2	176.9	44.8	0	0	0	0	115	S63	S63-S65 PolarHBondContact O-N 3.38Å
66	F	38.5	Very low	40.1	Very low	27 Å²	27	86 Å²	86	12%	0.118	47%	0.469	C	S	.	.	S	Bend	trans	-118.4	0.3	-176.3	-82.5	-86	0	0	0	115	L60 S63 S68 C69 I71 I86 Y95	L60-F66 HydrophobicContact CD2-CD1 3.97Å; L60-F66 HydrophobicContact CD2-CD2 3.92Å; L60-F66 HydrophobicContact CD2-CE1 3.85Å; L60-F66 HydrophobicContact CD2-CE2 3.79Å; L60-F66 HydrophobicContact CD2-CG 3.99Å; L60-F66 HydrophobicContact CD2-CZ 3.74Å; L60-F66 WeakPolarHBondContact O-CB 3.45Å; S63-F66 PolarHBondContact O-N 3.15Å; S63-F66 VanDerWaalsContact O-N 3.12Å; S63-F66 WeakPolarHBondContact OG-CD2 3.37Å; F66-S68 PolarHBondContact O-N 3.34Å; F66-C69 PolarHBondContact O-N 3.14Å; F66-I71 HydrophobicContact CD1-CD1 4.19Å; F66-I86 HydrophobicContact CE1-CD1 3.51Å; F66-I86 HydrophobicContact CZ-CD1 3.53Å; F66-Y95 HydrophobicContact CE1-CE2 4.35Å; F66-Y95 HydrophobicContact CZ-CD2 4.42Å; F66-Y95 HydrophobicContact CZ-CE1 4.18Å; F66-Y95 AromaticContact CZ-CE2 3.68Å; F66-Y95 HydrophobicContact CZ-CE2 3.68Å; F66-Y95 AromaticContact CZ-CZ 3.54Å; F66-Y95 WeakPolarHBondContact CZ-OH 3.44Å
67	S	35.9	Very low	40.9	Very low	110 Å²	110	87 Å²	87	77%	0.769	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-1.4	-173.3	55.6	0	0	0	0	116
68	S	40.5	Very low	41.3	Very low	113 Å²	113	86.1 Å²	86.1	79%	0.79	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	0.9	-175.6	56.1	0	0	0	0	114.8	F66	F66-S68 PolarHBondContact O-N 3.34Å
69	C	43.6	Very low	41.7	Very low	54 Å²	54	94.1 Å²	94.1	37%	0.365	50%	0.499	S	S	.	.			trans	-108.9	129.5	-170.4	-150.3	0	0	0	0	112.5	F66 I71	F66-C69 PolarHBondContact O-N 3.14Å; C69-I71 PolarHBondContact O-N 3.01Å
70	I	50.5	Low	42	Very low	121 Å²	121	94.4 Å²	94.4	62%	0.621	50%	0.498	S	S	*	.			trans	-70.8	121.7	173.1	-61.5	175	0	0	0	108.6	T88 P89	I70-T88 WeakPolarHBondContact O-CA 3.24Å; I70-T88 VanDerWaalsContact O-CB 3.29Å; I70-T88 WeakPolarHBondContact O-CB 3.36Å; I70-P89 HydrophobicContact CB-CG 4.03Å; I70-P89 HydrophobicContact CG2-CG 3.87Å; I70-P89 WeakPolarHBondContact O-CD 3.16Å
71	I	47.1	Very low	42.3	Very low	35 Å²	35	96.8 Å²	96.8	18%	0.179	51%	0.511	C	S	.	.			trans	-107.8	110.6	177.2	-63.1	167.4	0	0	0	108.1	L60 F66 C69 V74 I86	L60-I71 HydrophobicContact CB-CD1 4.38Å; L60-I71 HydrophobicContact CD1-CD1 4.31Å; F66-I71 HydrophobicContact CD1-CD1 4.19Å; C69-I71 PolarHBondContact O-N 3.01Å; I71-V74 HydrophobicContact CG2-CG2 3.57Å; I71-I86 HydrophobicContact CD1-CG2 4.5Å; I71-I86 HydrophobicContact CG1-CG2 4Å; I71-I86 HydrophobicContact CG2-CG2 3.97Å
72	E	53.1	Low	42.9	Very low	97 Å²	97	89.1 Å²	89.1	45%	0.453	48%	0.481	S	S	.	.			trans	-82.4	-41.5	177	-61.1	-170.7	167.4	0	0	112.1	K87 P89	E72-K87 HydrophobicContact CB-CD 4.33Å; E72-K87 HydrophobicContact CB-CG 4.45Å; E72-K87 PolarHBondContact N-O 2.67Å; E72-K87 VanDerWaalsContact OE2-CD 3.31Å; E72-K87 WeakPolarHBondContact OE2-CD 3.3Å; E72-K87 WeakPolarHBondContact OE2-CE 3.28Å; E72-K87 IonicContact OE2-NZ 2.67Å; E72-K87 PolarHBondContact OE2-NZ 2.7Å; E72-P89 HydrophobicContact CG-CG 4.28Å
73	Q	47.4	Very low	43.8	Very low	74 Å²	74	82.6 Å²	82.6	35%	0.346	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.3	-178.8	-92.1	179	-1.4	0	0	111.1	K87	Q73-K87 HydrophobicContact CB-CB 4Å; Q73-K87 PolarHBondContact N-O 3.37Å; Q73-K87 PolarHBondContact O-N 3.05Å
74	V	50	Low	45	Very low	52 Å²	52	81.6 Å²	81.6	32%	0.315	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	114.3	167.8	-175.5	0	0	0	0	108	L60 I71 I84	L60-V74 HydrophobicContact CD1-CG1 4.36Å; L60-V74 HydrophobicContact CD1-CG2 3.79Å; I71-V74 HydrophobicContact CG2-CG2 3.57Å; V74-I84 HydrophobicContact CG1-CB 4.42Å
75	L	47.2	Very low	46.4	Very low	87 Å²	87	77.3 Å²	77.3	46%	0.455	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.1	178.9	-73.6	163.4	0	0	0	108.8	A85	L75-A85 HydrophobicContact CB-CB 4.22Å; L75-A85 PolarHBondContact N-O 3.29Å; L75-A85 PolarHBondContact O-N 3.47Å
76	Y	44.8	Very low	47.7	Very low	131 Å²	131	72.8 Å²	72.8	51%	0.514	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.1	172.1	-172.1	-88.5	0	0	0	109.5	P78 I84	Y76-P78 HydrophobicContact CD1-CG 4.5Å; Y76-P78 WeakPolarHBondContact O-CD 3.37Å; Y76-P78 WeakPolarHBondContact O-CG 3.42Å; Y76-I84 HydrophobicContact CD2-CG2 3.79Å; Y76-I84 HydrophobicContact CE2-CG2 4.46Å
77	L	48.3	Very low	48.6	Very low	59 Å²	59	74.2 Å²	74.2	31%	0.309	39%	0.386	S	S	.	.			trans	-92.2	97.8	-174.3	-68	173.4	0	0	0	110.3	R79 E80 R83 A85 V94	L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.5Å; L77-R79 VanDerWaalsContact O-N 3.12Å; L77-E80 PolarHBondContact O-N 2.95Å; L77-R83 HydrophobicContact CB-CB 4.18Å; L77-R83 HydrophobicContact CD1-CB 4.09Å; L77-R83 PolarHBondContact N-O 3.17Å; L77-A85 HydrophobicContact CD1-CB 4.48Å; L77-V94 HydrophobicContact CD1-CG1 3.77Å
78	P	37.6	Very low	50	Low	106 Å²	106	69 Å²	69	69%	0.688	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.3	-154.7	-18.1	34	0	0	0	116.1	Y76	Y76-P78 HydrophobicContact CD1-CG 4.5Å; Y76-P78 WeakPolarHBondContact O-CD 3.37Å; Y76-P78 WeakPolarHBondContact O-CG 3.42Å
79	R	41.6	Very low	50.8	Low	202 Å²	202	66.5 Å²	66.5	76%	0.762	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-18.5	-178	-72.5	-173.8	175.3	-178.8	-0.4	113.9	L77	L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.5Å; L77-R79 VanDerWaalsContact O-N 3.12Å
80	E	40.1	Very low	51.3	Low	98 Å²	98	67.6 Å²	67.6	46%	0.458	34%	0.339	S	S	.	.	S	Bend	trans	-109.9	109.9	175.5	-63.1	-170.3	120.8	0	0	109.3	L77 G82 R83	L77-E80 PolarHBondContact O-N 2.95Å; E80-G82 PolarHBondContact O-N 3Å; E80-R83 HydrophobicContact CB-CB 4.5Å; E80-R83 HydrophobicContact CB-CG 4.31Å; E80-R83 PolarHBondContact O-N 3.17Å; E80-R83 IonicContact OE1-CZ 2.65Å; E80-R83 IonicContact OE1-NH1 2.69Å; E80-R83 PolarHBondContact OE1-NH1 2.86Å; E80-R83 WeakPolarHBondContact OE2-CD 3.24Å; E80-R83 IonicContact OE2-CZ 2.71Å; E80-R83 IonicContact OE2-NE 2.73Å; E80-R83 IonicContact OE2-NH1 2.86Å; E80-R83 PolarHBondContact OE2-NH1 3.48Å
81	N	43.6	Very low	51.9	Low	66 Å²	66	61.9 Å²	61.9	35%	0.353	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	111.5	-175.1	-83.8	4	0	0	0	111.3	R913	N81-R913 PolarHBondContact ND2-NH1 3.25Å; N81-R913 PolarHBondContact OD1-NH1 3.5Å; N81-R913 PolarHBondContact OD1-NH2 3.16Å
82	G	48	Very low	52.8	Low	10 Å²	10	62.9 Å²	62.9	10%	0.103	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	42.6	178.3	0	0	0	0	0	113.9	E80 D96 L97	E80-G82 PolarHBondContact O-N 3Å; G82-D96 CarbonylContact O-C 3.45Å; G82-D96 WeakPolarHBondContact O-CA 3.21Å; G82-L97 WeakPolarHBondContact O-CB 3.37Å; G82-L97 PolarHBondContact O-N 3.26Å
83	R	55.5	Low	53.5	Low	62 Å²	62	60.3 Å²	60.3	23%	0.234	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.5	170.4	-68.5	-177	174.1	179.8	-5	113.8	L77 E80 Y95 D96 I103	L77-R83 HydrophobicContact CB-CB 4.18Å; L77-R83 HydrophobicContact CD1-CB 4.09Å; L77-R83 PolarHBondContact N-O 3.17Å; E80-R83 HydrophobicContact CB-CB 4.5Å; E80-R83 HydrophobicContact CB-CG 4.31Å; E80-R83 PolarHBondContact O-N 3.17Å; E80-R83 IonicContact OE1-CZ 2.65Å; E80-R83 IonicContact OE1-NH1 2.69Å; E80-R83 PolarHBondContact OE1-NH1 2.86Å; E80-R83 WeakPolarHBondContact OE2-CD 3.24Å; E80-R83 IonicContact OE2-CZ 2.71Å; E80-R83 IonicContact OE2-NE 2.73Å; E80-R83 IonicContact OE2-NH1 2.86Å; E80-R83 PolarHBondContact OE2-NH1 3.48Å; R83-Y95 VanDerWaalsContact CA-O 3.31Å; R83-Y95 WeakPolarHBondContact CA-O 3.47Å; R83-D96 IonicContact CZ-OD2 2.72Å; R83-D96 VanDerWaalsContact CZ-OD2 3.32Å; R83-D96 IonicContact NE-OD2 2.69Å; R83-D96 PolarHBondContact NE-OD2 3.38Å; R83-D96 IonicContact NH2-OD2 2.73Å; R83-D96 PolarHBondContact NH2-OD2 3.36Å; R83-I103 HydrophobicContact CG-CD1 3.78Å
84	I	59.3	Low	54.6	Low	16 Å²	16	58 Å²	58	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.3	173.7	57.2	170.9	0	0	0	110.8	V74 Y76 I86 V94 Y95 L97	V74-I84 HydrophobicContact CG1-CB 4.42Å; Y76-I84 HydrophobicContact CD2-CG2 3.79Å; Y76-I84 HydrophobicContact CE2-CG2 4.46Å; I84-I86 HydrophobicContact CD1-CD1 3.88Å; I84-I86 HydrophobicContact CD1-CG1 4.05Å; I84-I86 HydrophobicContact CG1-CG1 4.38Å; I84-V94 CarbonylContact O-C 3.6Å; I84-V94 WeakPolarHBondContact O-CA 3.17Å; I84-Y95 PolarHBondContact N-O 3.35Å; I84-Y95 PolarHBondContact O-N 3.23Å; I84-L97 HydrophobicContact CD1-CD2 3.89Å; I84-L97 HydrophobicContact CG1-CD2 4.06Å; I84-L97 HydrophobicContact CG1-CG 4.24Å; I84-L97 HydrophobicContact CG2-CD1 3.91Å; I84-L97 HydrophobicContact CG2-CG 4.47Å
85	A	65.7	Low	55.3	Low	8 Å²	8	57.7 Å²	57.7	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.5	166.3	0	0	0	0	0	109.1	L75 L77 I92 K93 V94	L75-A85 HydrophobicContact CB-CB 4.22Å; L75-A85 PolarHBondContact N-O 3.29Å; L75-A85 PolarHBondContact O-N 3.47Å; L77-A85 HydrophobicContact CD1-CB 4.48Å; A85-I92 HydrophobicContact CB-CG2 4.11Å; A85-K93 CarbonylContact C-O 3.55Å; A85-K93 WeakPolarHBondContact CA-O 3.4Å; A85-V94 HydrophobicContact CB-CG2 4.15Å
86	I	62.7	Low	56.2	Low	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.3	-179.8	-56.1	-179.7	0	0	0	107.8	L60 F66 I71 I84 T88 I92 K93 Y95	L60-I86 HydrophobicContact CD1-CD1 4.12Å; L60-I86 HydrophobicContact CD2-CD1 3.6Å; F66-I86 HydrophobicContact CE1-CD1 3.51Å; F66-I86 HydrophobicContact CZ-CD1 3.53Å; I71-I86 HydrophobicContact CD1-CG2 4.5Å; I71-I86 HydrophobicContact CG1-CG2 4Å; I71-I86 HydrophobicContact CG2-CG2 3.97Å; I84-I86 HydrophobicContact CD1-CD1 3.88Å; I84-I86 HydrophobicContact CD1-CG1 4.05Å; I84-I86 HydrophobicContact CG1-CG1 4.38Å; I86-T88 HydrophobicContact CG2-CG2 4.39Å; I86-I92 CarbonylContact O-C 3.46Å; I86-I92 WeakPolarHBondContact O-CA 3.39Å; I86-K93 PolarHBondContact N-O 3.21Å; I86-K93 PolarHBondContact O-N 2.93Å; I86-Y95 HydrophobicContact CD1-CD2 3.78Å; I86-Y95 HydrophobicContact CD1-CE2 3.75Å; I86-Y95 HydrophobicContact CG1-CD2 4.21Å; I86-Y95 HydrophobicContact CG1-CE2 4.35Å
87	K	58.5	Low	56.5	Low	56 Å²	56	50.8 Å²	50.8	24%	0.243	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.5	170.1	-168	-172.1	-175	-142.3	0	109	E72 Q73 I92 L108	E72-K87 HydrophobicContact CB-CD 4.33Å; E72-K87 HydrophobicContact CB-CG 4.45Å; E72-K87 PolarHBondContact N-O 2.67Å; E72-K87 VanDerWaalsContact OE2-CD 3.31Å; E72-K87 WeakPolarHBondContact OE2-CD 3.3Å; E72-K87 WeakPolarHBondContact OE2-CE 3.28Å; E72-K87 IonicContact OE2-NZ 2.67Å; E72-K87 PolarHBondContact OE2-NZ 2.7Å; Q73-K87 HydrophobicContact CB-CB 4Å; Q73-K87 PolarHBondContact N-O 3.37Å; Q73-K87 PolarHBondContact O-N 3.05Å; K87-I92 HydrophobicContact CG-CG1 4.28Å; K87-L108 HydrophobicContact CG-CD1 4.15Å
88	T	65	Low	56.7	Low	2 Å²	2	51.5 Å²	51.5	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	167.2	162	77.8	0	0	0	0	108.2	I70 I86 S90 S91	I70-T88 WeakPolarHBondContact O-CA 3.24Å; I70-T88 VanDerWaalsContact O-CB 3.29Å; I70-T88 WeakPolarHBondContact O-CB 3.36Å; I86-T88 HydrophobicContact CG2-CG2 4.39Å; T88-S90 PolarHBondContact O-N 2.81Å; T88-S90 VanDerWaalsContact O-N 3.14Å; T88-S90 PolarHBondContact OG1-N 3.49Å; T88-S91 PolarHBondContact N-O 3.25Å; T88-S91 PolarHBondContact O-N 3.46Å; T88-S91 PolarHBondContact OG1-N 3.48Å; T88-S91 VanDerWaalsContact OG1-N 3.09Å; T88-S91 PolarHBondContact OG1-O 2.82Å; T88-S91 PolarHBondContact OG1-OG 3.33Å
89	P	57	Low	57.4	Low	59 Å²	59	52.3 Å²	52.3	38%	0.383	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.4	176.9	-28.2	36	0	0	0	113.8	I70 E72	I70-P89 HydrophobicContact CB-CG 4.03Å; I70-P89 HydrophobicContact CG2-CG 3.87Å; I70-P89 WeakPolarHBondContact O-CD 3.16Å; E72-P89 HydrophobicContact CG-CG 4.28Å
90	S	54.1	Low	57.7	Low	77 Å²	77	50.1 Å²	50.1	54%	0.538	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-3.5	-174.6	56.2	0	0	0	0	115.4	T88 L108	T88-S90 PolarHBondContact O-N 2.81Å; T88-S90 VanDerWaalsContact O-N 3.14Å; T88-S90 PolarHBondContact OG1-N 3.49Å; S90-L108 PolarHBondContact O-N 3.3Å
91	S	63.3	Low	58.5	Low	1 Å²	1	51.2 Å²	51.2	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	155.1	-175.5	66.3	0	0	0	0	114.5	T88 K93 V106	T88-S91 PolarHBondContact N-O 3.25Å; T88-S91 PolarHBondContact O-N 3.46Å; T88-S91 PolarHBondContact OG1-N 3.48Å; T88-S91 VanDerWaalsContact OG1-N 3.09Å; T88-S91 PolarHBondContact OG1-O 2.82Å; T88-S91 PolarHBondContact OG1-OG 3.33Å; S91-K93 VanDerWaalsContact OG-CE 3.24Å; S91-K93 WeakPolarHBondContact OG-CE 3.15Å; S91-V106 CarbonylContact C-O 3.57Å; S91-V106 VanDerWaalsContact CA-O 3.3Å; S91-V106 WeakPolarHBondContact CA-O 3.39Å
92	I	65.2	Low	59.6	Low	56 Å²	56	51.4 Å²	51.4	29%	0.287	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	106.5	160.9	-55.2	176.7	0	0	0	107.9	A85 I86 K87 V106 L108	A85-I92 HydrophobicContact CB-CG2 4.11Å; I86-I92 CarbonylContact O-C 3.46Å; I86-I92 WeakPolarHBondContact O-CA 3.39Å; K87-I92 HydrophobicContact CG-CG1 4.28Å; I92-V106 HydrophobicContact CB-CB 4.37Å; I92-V106 PolarHBondContact N-O 3.11Å; I92-V106 PolarHBondContact O-N 2.82Å; I92-L108 HydrophobicContact CD1-CD2 4.14Å; I92-L108 HydrophobicContact CG1-CD1 4.02Å; I92-L108 HydrophobicContact CG1-CD2 4.15Å; I92-L108 HydrophobicContact CG1-CG 4.17Å
93	K	67.7	Low	60.3	Low	43 Å²	43	54.4 Å²	54.4	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.6	-178.6	-67.8	174.9	-171.9	-90.5	0	110.4	A85 I86 S91 Y95 L102 E105	A85-K93 CarbonylContact C-O 3.55Å; A85-K93 WeakPolarHBondContact CA-O 3.4Å; I86-K93 PolarHBondContact N-O 3.21Å; I86-K93 PolarHBondContact O-N 2.93Å; S91-K93 VanDerWaalsContact OG-CE 3.24Å; S91-K93 WeakPolarHBondContact OG-CE 3.15Å; K93-Y95 HydrophobicContact CB-CD2 4.18Å; K93-Y95 HydrophobicContact CB-CE2 3.45Å; K93-Y95 VanDerWaalsContact CB-CE2 3.45Å; K93-Y95 HydrophobicContact CD-CE2 4.31Å; K93-Y95 HydrophobicContact CG-CE2 4.47Å; K93-L102 HydrophobicContact CB-CD1 3.73Å; K93-L102 HydrophobicContact CG-CD1 4.15Å; K93-E105 WeakPolarHBondContact CE-OE1 3.33Å; K93-E105 HydrophobicContact CG-CB 4.41Å; K93-E105 HydrophobicContact CG-CG 3.89Å; K93-E105 IonicContact NZ-OE1 3.72Å; K93-E105 PolarHBondContact NZ-OE1 3.05Å; K93-E105 IonicContact NZ-OE2 2.79Å; K93-E105 PolarHBondContact NZ-OE2 3.49Å
94	V	72.2	Confident	60.3	Low	25 Å²	25	55.7 Å²	55.7	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116	177.9	-166.8	0	0	0	0	109.4	L77 I84 A85 I103 N104	L77-V94 HydrophobicContact CD1-CG1 3.77Å; I84-V94 CarbonylContact O-C 3.6Å; I84-V94 WeakPolarHBondContact O-CA 3.17Å; A85-V94 HydrophobicContact CB-CG2 4.15Å; V94-I103 HydrophobicContact CG1-CD1 4.08Å; V94-I103 PolarHBondContact O-N 3.46Å; V94-N104 HydrophobicContact CB-CB 4.22Å; V94-N104 HydrophobicContact CG2-CB 4.29Å; V94-N104 PolarHBondContact N-O 2.8Å; V94-N104 PolarHBondContact O-N 3.41Å
95	Y	63.9	Low	60.5	Low	46 Å²	46	58.1 Å²	58.1	18%	0.18	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.7	179.5	-67.1	-94.8	0	0	0	111.5	F66 R83 I84 I86 K93 K101 L102	F66-Y95 HydrophobicContact CE1-CE2 4.35Å; F66-Y95 HydrophobicContact CZ-CD2 4.42Å; F66-Y95 HydrophobicContact CZ-CE1 4.18Å; F66-Y95 AromaticContact CZ-CE2 3.68Å; F66-Y95 HydrophobicContact CZ-CE2 3.68Å; F66-Y95 AromaticContact CZ-CZ 3.54Å; F66-Y95 WeakPolarHBondContact CZ-OH 3.44Å; R83-Y95 VanDerWaalsContact CA-O 3.31Å; R83-Y95 WeakPolarHBondContact CA-O 3.47Å; I84-Y95 PolarHBondContact N-O 3.35Å; I84-Y95 PolarHBondContact O-N 3.23Å; I86-Y95 HydrophobicContact CD1-CD2 3.78Å; I86-Y95 HydrophobicContact CD1-CE2 3.75Å; I86-Y95 HydrophobicContact CG1-CD2 4.21Å; I86-Y95 HydrophobicContact CG1-CE2 4.35Å; K93-Y95 HydrophobicContact CB-CD2 4.18Å; K93-Y95 HydrophobicContact CB-CE2 3.45Å; K93-Y95 VanDerWaalsContact CB-CE2 3.45Å; K93-Y95 HydrophobicContact CD-CE2 4.31Å; K93-Y95 HydrophobicContact CG-CE2 4.47Å; Y95-K101 CarbonylContact C-O 3.6Å; Y95-K101 WeakPolarHBondContact CA-O 3.48Å; Y95-L102 HydrophobicContact CD1-CB 4.28Å; Y95-L102 HydrophobicContact CD1-CD1 4.33Å; Y95-L102 HydrophobicContact CD2-CD1 4.38Å; Y95-L102 HydrophobicContact CE1-CB 4.11Å; Y95-L102 HydrophobicContact CE1-CD1 4.02Å; Y95-L102 HydrophobicContact CE2-CD1 4.07Å
96	D	65.7	Low	59.7	Low	14 Å²	14	61.3 Å²	61.3	8%	0.075	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107	162	-143	-65	0	0	0	108.1	G82 R83 K98 Q99 F100 K101 I103	G82-D96 CarbonylContact O-C 3.45Å; G82-D96 WeakPolarHBondContact O-CA 3.21Å; R83-D96 IonicContact CZ-OD2 2.72Å; R83-D96 VanDerWaalsContact CZ-OD2 3.32Å; R83-D96 IonicContact NE-OD2 2.69Å; R83-D96 PolarHBondContact NE-OD2 3.38Å; R83-D96 IonicContact NH2-OD2 2.73Å; R83-D96 PolarHBondContact NH2-OD2 3.36Å; D96-K98 VanDerWaalsContact C-N 3.27Å; D96-K98 PolarHBondContact O-N 2.87Å; D96-K98 WeakPolarHBondContact OD1-CB 3.17Å; D96-K98 PolarHBondContact OD1-N 2.81Å; D96-Q99 HydrophobicContact CB-CB 4.24Å; D96-Q99 HydrophobicContact CB-CG 4.45Å; D96-Q99 PolarHBondContact O-N 2.99Å; D96-F100 CarbonylContact O-C 3.45Å; D96-F100 WeakPolarHBondContact O-CA 3.39Å; D96-F100 PolarHBondContact O-N 2.81Å; D96-K101 PolarHBondContact N-O 2.95Å; D96-K101 PolarHBondContact O-N 2.96Å; D96-I103 HydrophobicContact CB-CD1 3.63Å; D96-I103 HydrophobicContact CB-CG1 3.67Å; D96-I103 VanDerWaalsContact N-CD1 3.32Å
97	L	51.2	Low	59	Low	60 Å²	60	66.6 Å²	66.6	31%	0.314	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-63.1	-33.6	173.7	-65.5	175.5	0	0	0	111	G82 I84 Q99 F100	G82-L97 WeakPolarHBondContact O-CB 3.37Å; G82-L97 PolarHBondContact O-N 3.26Å; I84-L97 HydrophobicContact CD1-CD2 3.89Å; I84-L97 HydrophobicContact CG1-CD2 4.06Å; I84-L97 HydrophobicContact CG1-CG 4.24Å; I84-L97 HydrophobicContact CG2-CD1 3.91Å; I84-L97 HydrophobicContact CG2-CG 4.47Å; L97-Q99 PolarHBondContact O-N 3.09Å; L97-F100 PolarHBondContact O-N 2.91Å
98	K	51.9	Low	58.1	Low	74 Å²	74	66.3 Å²	66.3	32%	0.322	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-70.9	-8.2	176.8	-75.8	-170	169.9	-168.6	0	114.4	D96 E1135	D96-K98 VanDerWaalsContact C-N 3.27Å; D96-K98 PolarHBondContact O-N 2.87Å; D96-K98 WeakPolarHBondContact OD1-CB 3.17Å; D96-K98 PolarHBondContact OD1-N 2.81Å; K98-E1135 VanDerWaalsContact CE-O 3.25Å; K98-E1135 WeakPolarHBondContact CE-O 3.49Å; K98-E1135 IonicContact NZ-OE2 2.67Å; K98-E1135 PolarHBondContact NZ-OE2 3.5Å
99	Q	53.7	Low	56.8	Low	123 Å²	123	70.5 Å²	70.5	58%	0.575	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-129.1	3	178.4	-55.9	-172.5	0.8	0	0	112.8	D96 L97 K101	D96-Q99 HydrophobicContact CB-CB 4.24Å; D96-Q99 HydrophobicContact CB-CG 4.45Å; D96-Q99 PolarHBondContact O-N 2.99Å; L97-Q99 PolarHBondContact O-N 3.09Å; Q99-K101 HydrophobicContact CB-CB 3.69Å; Q99-K101 WeakPolarHBondContact O-CB 3.4Å; Q99-K101 PolarHBondContact O-N 3.36Å
100	F	47.5	Very low	55.5	Low	155 Å²	155	76.9 Å²	76.9	68%	0.68	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	32.6	-164.7	-77.4	-84.5	0	0	0	114.2	D96 L97 E1137	D96-F100 CarbonylContact O-C 3.45Å; D96-F100 WeakPolarHBondContact O-CA 3.39Å; D96-F100 PolarHBondContact O-N 2.81Å; L97-F100 PolarHBondContact O-N 2.91Å; F100-E1137 WeakPolarHBondContact CE2-OE1 3.44Å; F100-E1137 WeakPolarHBondContact CE2-OE2 3.38Å
101	K	57	Low	54.2	Low	122 Å²	122	79.4 Å²	79.4	53%	0.53	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134	-162.5	-171.6	178	179.8	-180	0	112.1	Y95 D96 Q99 I103	Y95-K101 CarbonylContact C-O 3.6Å; Y95-K101 WeakPolarHBondContact CA-O 3.48Å; D96-K101 PolarHBondContact N-O 2.95Å; D96-K101 PolarHBondContact O-N 2.96Å; Q99-K101 HydrophobicContact CB-CB 3.69Å; Q99-K101 WeakPolarHBondContact O-CB 3.4Å; Q99-K101 PolarHBondContact O-N 3.36Å; K101-I103 PolarHBondContact O-N 3.43Å
102	L	67	Low	52.5	Low	69 Å²	69	88 Å²	88	36%	0.361	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	117.3	167.6	-175.1	69.8	0	0	0	109.5	K93 Y95 N104 E105	K93-L102 HydrophobicContact CB-CD1 3.73Å; K93-L102 HydrophobicContact CG-CD1 4.15Å; Y95-L102 HydrophobicContact CD1-CB 4.28Å; Y95-L102 HydrophobicContact CD1-CD1 4.33Å; Y95-L102 HydrophobicContact CD2-CD1 4.38Å; Y95-L102 HydrophobicContact CE1-CB 4.11Å; Y95-L102 HydrophobicContact CE1-CD1 4.02Å; Y95-L102 HydrophobicContact CE2-CD1 4.07Å; L102-N104 WeakPolarHBondContact CD1-O 3.3Å; L102-E105 HydrophobicContact CD2-CB 4.24Å; L102-E105 WeakPolarHBondContact CD2-OE2 3.25Å
103	I	62	Low	50.8	Low	73 Å²	73	91.6 Å²	91.6	37%	0.374	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-43.5	177.3	-55.9	155.4	0	0	0	110.1	R83 V94 D96 K101	R83-I103 HydrophobicContact CG-CD1 3.78Å; V94-I103 HydrophobicContact CG1-CD1 4.08Å; V94-I103 PolarHBondContact O-N 3.46Å; D96-I103 HydrophobicContact CB-CD1 3.63Å; D96-I103 HydrophobicContact CB-CG1 3.67Å; D96-I103 VanDerWaalsContact N-CD1 3.32Å; K101-I103 PolarHBondContact O-N 3.43Å
104	N	56.3	Low	48.9	Very low	89 Å²	89	99.1 Å²	99.1	48%	0.476	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.3	-171.2	-166.3	11.5	0	0	0	110.1	V94 L102	V94-N104 HydrophobicContact CB-CB 4.22Å; V94-N104 HydrophobicContact CG2-CB 4.29Å; V94-N104 PolarHBondContact N-O 2.8Å; V94-N104 PolarHBondContact O-N 3.41Å; L102-N104 WeakPolarHBondContact CD1-O 3.3Å
105	E	62.3	Low	46.9	Very low	68 Å²	68	105 Å²	105	32%	0.318	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	112	174.5	178	161.7	171.5	0	0	109.3	K93 L102 L107	K93-E105 WeakPolarHBondContact CE-OE1 3.33Å; K93-E105 HydrophobicContact CG-CB 4.41Å; K93-E105 HydrophobicContact CG-CG 3.89Å; K93-E105 IonicContact NZ-OE1 3.72Å; K93-E105 PolarHBondContact NZ-OE1 3.05Å; K93-E105 IonicContact NZ-OE2 2.79Å; K93-E105 PolarHBondContact NZ-OE2 3.49Å; L102-E105 HydrophobicContact CD2-CB 4.24Å; L102-E105 WeakPolarHBondContact CD2-OE2 3.25Å; E105-L107 HydrophobicContact CG-CD2 4.49Å
106	V	48.9	Very low	45.1	Very low	74 Å²	74	105.9 Å²	105.9	45%	0.448	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	104	175	-177.8	0	0	0	0	107.3	S91 I92 L108	S91-V106 CarbonylContact C-O 3.57Å; S91-V106 VanDerWaalsContact CA-O 3.3Å; S91-V106 WeakPolarHBondContact CA-O 3.39Å; I92-V106 HydrophobicContact CB-CB 4.37Å; I92-V106 PolarHBondContact N-O 3.11Å; I92-V106 PolarHBondContact O-N 2.82Å; V106-L108 PolarHBondContact O-N 3.42Å
107	L	49	Very low	43.2	Very low	112 Å²	112	111.8 Å²	111.8	59%	0.586	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.2	125.3	175.6	-66.8	166.7	0	0	0	109.6	E105 T109	E105-L107 HydrophobicContact CG-CD2 4.49Å; L107-T109 VanDerWaalsContact C-N 3.33Å; L107-T109 HydrophobicContact CB-CG2 4.45Å; L107-T109 PolarHBondContact O-N 2.61Å
108	L	38.7	Very low	42.1	Very low	50 Å²	50	113 Å²	113	26%	0.262	57%	0.574	S	S	.	*			trans	-85.9	80.2	172.9	-65.5	176.9	0	0	0	107.8	K87 S90 I92 V106 E110	K87-L108 HydrophobicContact CG-CD1 4.15Å; S90-L108 PolarHBondContact O-N 3.3Å; I92-L108 HydrophobicContact CD1-CD2 4.14Å; I92-L108 HydrophobicContact CG1-CD1 4.02Å; I92-L108 HydrophobicContact CG1-CD2 4.15Å; I92-L108 HydrophobicContact CG1-CG 4.17Å; V106-L108 PolarHBondContact O-N 3.42Å; L108-E110 PolarHBondContact O-N 2.85Å; L108-E110 VanDerWaalsContact O-N 3.08Å
109	T	37.9	Very low	41	Very low	91 Å²	91	117.3 Å²	117.3	56%	0.558	59%	0.594	S	S	*	*			trans	-73.3	98.8	173.4	54.9	0	0	0	0	109.6	L107 N111	L107-T109 VanDerWaalsContact C-N 3.33Å; L107-T109 HydrophobicContact CB-CG2 4.45Å; L107-T109 PolarHBondContact O-N 2.61Å; T109-N111 VanDerWaalsContact C-N 3.34Å; T109-N111 PolarHBondContact O-N 3.42Å
110	E	29.7	Very low	39.7	Very low	193 Å²	193	115.6 Å²	115.6	90%	0.902	60%	0.596	S	S	*	*			trans	-60.1	99.8	156.9	-66.7	-170.7	138.6	0	0	108	L108	L108-E110 PolarHBondContact O-N 2.85Å; L108-E110 VanDerWaalsContact O-N 3.08Å
111	N	27	Very low	38.7	Very low	129 Å²	129	116.4 Å²	116.4	69%	0.69	60%	0.596	S	S	*	*			trans	-147.7	125.6	177.6	-142.6	-30.1	0	0	0	108.9	T109 N113	T109-N111 VanDerWaalsContact C-N 3.34Å; T109-N111 PolarHBondContact O-N 3.42Å; N111-N113 PolarHBondContact O-N 2.7Å
112	E	27.9	Very low	37.2	Very low	182 Å²	182	117.3 Å²	117.3	85%	0.85	61%	0.607	S	S	*	*			trans	-79.1	3	-141.6	-57.3	177.1	110.8	0	0	115.4	K114	E112-K114 PolarHBondContact O-N 3.2Å; E112-K114 VanDerWaalsContact O-N 3.12Å
113	N	28.6	Very low	35.2	Very low	131 Å²	131	125.7 Å²	125.7	70%	0.701	63%	0.633	S	S	*	*			trans	-86.3	88	-170.5	-79.1	-56.1	0	0	0	113.2	N111 N115 A116	N111-N113 PolarHBondContact O-N 2.7Å; N113-N115 PolarHBondContact O-N 3.1Å; N113-A116 PolarHBondContact O-N 3.05Å
114	K	28.4	Very low	33.4	Very low	201 Å²	201	128.6 Å²	128.6	87%	0.874	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.6	-8.7	-178.6	-68.2	172.3	178.8	170.2	0	118.2	E112	E112-K114 PolarHBondContact O-N 3.2Å; E112-K114 VanDerWaalsContact O-N 3.12Å
115	N	29.6	Very low	31.9	Very low	149 Å²	149	129.6 Å²	129.6	80%	0.797	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-13.9	-175.1	-66.9	-12.5	0	0	0	114.8	N113 S118	N113-N115 PolarHBondContact O-N 3.1Å; N115-S118 PolarHBondContact O-OG 2.94Å
116	A	27.3	Very low	30.2	Very low	64 Å²	64	133.6 Å²	133.6	53%	0.529	68%	0.683	S	S	.	*	S	Bend	trans	-88.6	-23.9	-171.4	0	0	0	0	0	114.9	N113 S118 Q119	N113-A116 PolarHBondContact O-N 3.05Å; A116-S118 PolarHBondContact O-N 3.19Å; A116-S118 VanDerWaalsContact O-N 3.09Å; A116-Q119 PolarHBondContact O-N 3.26Å
117	F	26.4	Very low	29.1	Very low	139 Å²	139	133.4 Å²	133.4	61%	0.61	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-70.1	-9	-172.4	-134.5	-90	0	0	0	114.4	Q119	F117-Q119 VanDerWaalsContact C-N 3.34Å; F117-Q119 PolarHBondContact O-N 3.04Å
118	S	28	Very low	27.9	Very low	86 Å²	86	133.5 Å²	133.5	60%	0.601	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-68.2	-27.1	177.6	55	0	0	0	0	113.8	N115 A116	N115-S118 PolarHBondContact O-OG 2.94Å; A116-S118 PolarHBondContact O-N 3.19Å; A116-S118 VanDerWaalsContact O-N 3.09Å
119	Q	28.2	Very low	27.3	Very low	163 Å²	163	137.8 Å²	137.8	76%	0.762	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-86	-12.6	-174.7	-65.4	-177.2	-14.6	0	0	113.9	A116 F117	A116-Q119 PolarHBondContact O-N 3.26Å; F117-Q119 VanDerWaalsContact C-N 3.34Å; F117-Q119 PolarHBondContact O-N 3.04Å
120	S	25.8	Very low	26.8	Very low	88 Å²	88	135.8 Å²	135.8	62%	0.615	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-86.6	-9.3	-175	-60.1	0	0	0	0	114.5	N122	S120-N122 VanDerWaalsContact C-N 3.27Å; S120-N122 PolarHBondContact O-N 3Å
121	Y	26.7	Very low	26.8	Very low	171 Å²	171	130.4 Å²	130.4	67%	0.671	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-74.6	-8.3	-172.1	-105.7	-93.8	0	0	0	115.2	R123	Y121-R123 PolarHBondContact O-N 3.05Å
122	N	26.4	Very low	26.7	Very low	141 Å²	141	126.5 Å²	126.5	75%	0.754	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	27.9	-171.1	-69.8	-22	0	0	0	115.9	S120	S120-N122 VanDerWaalsContact C-N 3.27Å; S120-N122 PolarHBondContact O-N 3Å
123	R	24.9	Very low	26.7	Very low	245 Å²	245	123.3 Å²	123.3	93%	0.925	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	17.6	174.3	-75.1	-168.7	171.6	-179	-2.1	115.1	Y121	Y121-R123 PolarHBondContact O-N 3.05Å
124	L	24.1	Very low	26.8	Very low	135 Å²	135	122.7 Å²	122.7	71%	0.707	65%	0.645	S	S	*	*			trans	-124	66.1	174.2	-90.4	162.8	0	0	0	111.9	Y126	L124-Y126 PolarHBondContact O-N 3.07Å
125	A	25.1	Very low	27	Very low	110 Å²	110	114 Å²	114	91%	0.909	61%	0.613	S	S	*	*			trans	-79.5	84	-179	0	0	0	0	0	113
126	Y	25.6	Very low	27.2	Very low	152 Å²	152	114.7 Å²	114.7	60%	0.596	60%	0.604	S	S	*	*			trans	-67.1	167.2	156.5	-88.1	-130.8	0	0	0	110.5	L124 V130	L124-Y126 PolarHBondContact O-N 3.07Å; Y126-V130 HydrophobicContact CD1-CB 4.44Å; Y126-V130 HydrophobicContact CD1-CG2 4.38Å; Y126-V130 HydrophobicContact CE1-CB 4.28Å; Y126-V130 HydrophobicContact CE1-CG1 3.9Å; Y126-V130 HydrophobicContact CE1-CG2 4.3Å
127	A	25.9	Very low	27.4	Very low	69 Å²	69	117.7 Å²	117.7	57%	0.57	61%	0.605	S	S	*	*			cis	-172.4	155.6	-27.5	0	0	0	0	0	108.2	V130	A127-V130 HydrophobicContact CB-CB 4.36Å; A127-V130 HydrophobicContact CB-CG2 3.84Å
128	S	24.2	Very low	27.3	Very low	114 Å²	114	117 Å²	117	80%	0.797	62%	0.615	S	S	*	*	S	Bend	trans	-128.8	130.7	153.3	57.8	0	0	0	0	108.3
129	K	26.3	Very low	27.4	Very low	141 Å²	141	117.2 Å²	117.2	61%	0.613	63%	0.631	S	S	*	*	S	Bend	trans	59.5	77.2	-165.4	-60.1	-176.6	174.2	-177.1	0	114.9	E1052	K129-E1052 IonicContact NZ-OE2 2.76Å; K129-E1052 PolarHBondContact NZ-OE2 3.29Å
130	V	27.5	Very low	27.4	Very low	48 Å²	48	110.6 Å²	110.6	29%	0.291	61%	0.606	S	S	.	*			trans	-131.9	108.6	155.4	176.1	0	0	0	0	107.5	Y126 A127 A132	Y126-V130 HydrophobicContact CD1-CB 4.44Å; Y126-V130 HydrophobicContact CD1-CG2 4.38Å; Y126-V130 HydrophobicContact CE1-CB 4.28Å; Y126-V130 HydrophobicContact CE1-CG1 3.9Å; Y126-V130 HydrophobicContact CE1-CG2 4.3Å; A127-V130 HydrophobicContact CB-CB 4.36Å; A127-V130 HydrophobicContact CB-CG2 3.84Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 3.48Å
131	D	28.2	Very low	27.7	Very low	81 Å²	81	113.7 Å²	113.7	43%	0.433	62%	0.615	S	S	.	*			trans	-90.7	6	-169.5	-47.2	-54.5	0	0	0	113.2	E1053	D131-E1053 HydrophobicContact CB-CG 4.18Å
132	A	25.2	Very low	27.8	Very low	47 Å²	47	109 Å²	109	39%	0.388	61%	0.605	S	S	.	*			trans	-133.5	110.3	178.4	0	0	0	0	0	111.7	V130	V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 3.48Å
133	F	27.8	Very low	28.1	Very low	114 Å²	114	105 Å²	105	50%	0.5	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	128.8	169.2	-90.3	-99.1	0	0	0	110	P145 L146 L151	F133-P145 CarbonylContact O-C 3.47Å; F133-P145 WeakPolarHBondContact O-CA 3.37Å; F133-L146 HydrophobicContact CB-CB 4.04Å; F133-L146 HydrophobicContact CB-CD1 4.36Å; F133-L146 PolarHBondContact N-O 2.92Å; F133-L146 PolarHBondContact O-N 3.33Å; F133-L151 HydrophobicContact CD2-CD1 4.03Å; F133-L151 HydrophobicContact CE2-CD1 4.19Å
134	I	31	Very low	28.6	Very low	119 Å²	119	101 Å²	101	61%	0.61	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.7	103.8	172.2	-61.6	176.1	0	0	0	108	L143	I134-L143 HydrophobicContact CG2-CB 4.13Å; I134-L143 HydrophobicContact CG2-CD2 3.84Å; I134-L143 HydrophobicContact CG2-CG 4.5Å
135	G	32	Very low	29	Very low	18 Å²	18	99.5 Å²	99.5	19%	0.186	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.6	151.3	-178.5	0	0	0	0	0	113.2	L143 W144	G135-L143 WeakPolarHBondContact O-CA 3.34Å; G135-W144 PolarHBondContact N-O 3.33Å; G135-W144 PolarHBondContact O-N 2.82Å
136	W	33.7	Very low	29.3	Very low	163 Å²	163	96.8 Å²	96.8	62%	0.617	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.6	161.2	-72.3	86.4	0	0	0	109.1	L143	W136-L143 HydrophobicContact CD2-CD2 4.03Å; W136-L143 HydrophobicContact CG-CD2 4.19Å; W136-L143 HydrophobicContact CZ2-CD2 4.12Å; W136-L143 HydrophobicContact CZ2-CG 4.43Å
137	K	31.7	Very low	29.7	Very low	127 Å²	127	92.1 Å²	92.1	55%	0.552	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-68.9	134.5	169.4	-173.4	-173.8	175.2	-175.4	0	109.4	G139 G140	K137-G139 PolarHBondContact O-N 3.18Å; K137-G140 PolarHBondContact O-N 3.14Å
138	P	25.9	Very low	29.8	Very low	126 Å²	126	93 Å²	93	82%	0.818	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	116.1	167.2	-25.5	34.9	0	0	0	110.5
139	G	29.3	Very low	30.1	Very low	90 Å²	90	95.2 Å²	95.2	93%	0.928	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	37	-179.7	0	0	0	0	0	116.1	K137	K137-G139 PolarHBondContact O-N 3.18Å
140	G	28.8	Very low	30.5	Very low	23 Å²	23	92.5 Å²	92.5	24%	0.237	52%	0.517	C	S	.	.			trans	-156	143.9	172.5	0	0	0	0	0	116	K137 T142	K137-G140 PolarHBondContact O-N 3.14Å; G140-T142 PolarHBondContact O-N 2.7Å
141	N	32.4	Very low	30.7	Very low	153 Å²	153	93.4 Å²	93.4	82%	0.818	52%	0.52	S	S	*	.	S	Bend	trans	-75.1	24.6	-178.7	-61.8	0.9	0	0	0	113.7
142	T	28.4	Very low	30.6	Very low	74 Å²	74	98.1 Å²	98.1	45%	0.454	54%	0.539	S	S	.	.			trans	-127.8	122.3	-169.8	44	0	0	0	0	112	G140	G140-T142 PolarHBondContact O-N 2.7Å
143	L	32	Very low	30.9	Very low	57 Å²	57	102.5 Å²	102.5	30%	0.298	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	131.8	170.7	-67.6	155.7	0	0	0	109.4	I134 G135 W136	I134-L143 HydrophobicContact CG2-CB 4.13Å; I134-L143 HydrophobicContact CG2-CD2 3.84Å; I134-L143 HydrophobicContact CG2-CG 4.5Å; G135-L143 WeakPolarHBondContact O-CA 3.34Å; W136-L143 HydrophobicContact CD2-CD2 4.03Å; W136-L143 HydrophobicContact CG-CD2 4.19Å; W136-L143 HydrophobicContact CZ2-CD2 4.12Å; W136-L143 HydrophobicContact CZ2-CG 4.43Å
144	W	36.5	Very low	30.9	Very low	161 Å²	161	102.3 Å²	102.3	61%	0.61	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122	139.9	179.2	-91.9	41	0	0	0	111.4	G135	G135-W144 PolarHBondContact N-O 3.33Å; G135-W144 PolarHBondContact O-N 2.82Å
145	P	31.2	Very low	30.7	Very low	102 Å²	102	100.2 Å²	100.2	66%	0.662	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.2	127.2	164.8	32.1	-31.1	0	0	0	110.1	F133	F133-P145 CarbonylContact O-C 3.47Å; F133-P145 WeakPolarHBondContact O-CA 3.37Å
146	L	30.9	Very low	30.5	Very low	54 Å²	54	106.8 Å²	106.8	28%	0.283	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	129.1	176.5	-69.3	162.4	0	0	0	110.3	F133 N150	F133-L146 HydrophobicContact CB-CB 4.04Å; F133-L146 HydrophobicContact CB-CD1 4.36Å; F133-L146 PolarHBondContact N-O 2.92Å; F133-L146 PolarHBondContact O-N 3.33Å; L146-N150 HydrophobicContact CD2-CB 4.15Å
147	S	33.8	Very low	30.1	Very low	53 Å²	53	104.1 Å²	104.1	37%	0.371	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-89.1	162.9	171.6	61.1	0	0	0	0	112.1	E149 N150	S147-E149 VanDerWaalsContact C-N 3.3Å; S147-E149 PolarHBondContact O-N 3.17Å; S147-N150 WeakPolarHBondContact O-CB 3.35Å; S147-N150 PolarHBondContact O-N 3.09Å; S147-N150 PolarHBondContact OG-ND2 3.09Å
148	C	28.1	Very low	29.7	Very low	89 Å²	89	103.9 Å²	103.9	60%	0.601	61%	0.614	S	S	*	*	H	α-helix	trans	-56.6	-36.9	-178.8	-62	0	0	0	0	114.2	N150 L151	C148-N150 PolarHBondContact O-N 2.99Å; C148-N150 VanDerWaalsContact O-N 3.1Å; C148-L151 PolarHBondContact O-N 2.93Å
149	E	32.3	Very low	29.7	Very low	160 Å²	160	103 Å²	103	75%	0.748	61%	0.606	S	S	*	*	H	α-helix	trans	-60.7	-19	176.3	-62.6	176.4	147.5	0	0	113.3	S147	S147-E149 VanDerWaalsContact C-N 3.3Å; S147-E149 PolarHBondContact O-N 3.17Å
150	N	34.1	Very low	29.7	Very low	83 Å²	83	105.9 Å²	105.9	44%	0.444	61%	0.606	S	S	.	*	H	α-helix	trans	-92.6	-13	175.7	-69	-78.6	0	0	0	113.5	L146 S147 C148	L146-N150 HydrophobicContact CD2-CB 4.15Å; S147-N150 WeakPolarHBondContact O-CB 3.35Å; S147-N150 PolarHBondContact O-N 3.09Å; S147-N150 PolarHBondContact OG-ND2 3.09Å; C148-N150 PolarHBondContact O-N 2.99Å; C148-N150 VanDerWaalsContact O-N 3.1Å
151	L	30.3	Very low	29.4	Very low	68 Å²	68	113.5 Å²	113.5	36%	0.356	63%	0.633	S	S	.	*	H	α-helix	trans	-82.4	-25.7	-177.9	-82.7	163.9	0	0	0	113.4	F133 C148 N153 I154	F133-L151 HydrophobicContact CD2-CD1 4.03Å; F133-L151 HydrophobicContact CE2-CD1 4.19Å; C148-L151 PolarHBondContact O-N 2.93Å; L151-N153 PolarHBondContact O-N 2.85Å; L151-N153 VanDerWaalsContact O-N 3.07Å; L151-I154 PolarHBondContact O-N 3.11Å; L151-I154 VanDerWaalsContact O-N 3.17Å
152	E	28.1	Very low	29	Very low	180 Å²	180	113.3 Å²	113.3	84%	0.841	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-16.9	177.7	-60.6	-167.9	137.5	0	0	113.4
153	N	30.9	Very low	28.9	Very low	139 Å²	139	119.2 Å²	119.2	74%	0.743	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	4.6	179.7	-69	-71.2	0	0	0	114.5	L151	L151-N153 PolarHBondContact O-N 2.85Å; L151-N153 VanDerWaalsContact O-N 3.07Å
154	I	28.3	Very low	28.4	Very low	109 Å²	109	124.5 Å²	124.5	56%	0.559	68%	0.682	S	S	*	*			trans	-128.6	78.8	-174.4	-47.2	-179.4	0	0	0	111.5	L151	L151-I154 PolarHBondContact O-N 3.11Å; L151-I154 VanDerWaalsContact O-N 3.17Å
155	G	26.2	Very low	27.7	Very low	75 Å²	75	124.1 Å²	124.1	77%	0.773	69%	0.69	S	S	*	*			trans	-88.2	129	173.1	0	0	0	0	0	113.1
156	I	27.9	Very low	27.3	Very low	157 Å²	157	123.1 Å²	123.1	81%	0.805	70%	0.698	S	S	*	*			trans	-151.5	150.7	176.8	-105.9	149.4	0	0	0	110.2
157	P	24.6	Very low	26.8	Very low	106 Å²	106	126.4 Å²	126.4	69%	0.688	72%	0.72	S	S	*	*			trans	-103.1	175.3	-140.6	38.5	-36.8	0	0	0	117.9	T159	P157-T159 PolarHBondContact O-N 3.24Å
158	S	23.6	Very low	26.3	Very low	122 Å²	122	134.2 Å²	134.2	85%	0.853	75%	0.748	S	S	*	*			trans	-88.1	28.3	-156.5	50.5	0	0	0	0	117.4
159	T	25.7	Very low	26.3	Very low	107 Å²	107	134.4 Å²	134.4	66%	0.656	75%	0.751	S	S	*	*			trans	-128.1	91.6	-164.5	54.7	0	0	0	0	115.7	P157	P157-T159 PolarHBondContact O-N 3.24Å
160	T	29.5	Very low	25.8	Very low	151 Å²	151	132.9 Å²	132.9	93%	0.926	75%	0.747	S	S	*	*			trans	-175.9	145.4	132.8	18.4	0	0	0	0	111.1
161	K	23.6	Very low	25.3	Very low	183 Å²	183	136.3 Å²	136.3	80%	0.796	76%	0.759	S	S	*	*			trans	-124.4	162.9	173.4	-79.8	-176.8	174.3	177.5	0	109.7
162	N	23.3	Very low	24.9	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	78%	0.78	S	S	*	*			trans	76	93.7	165.7	-50.7	-18	0	0	0	117.4
163	Q	25.6	Very low	24.7	Very low	199 Å²	199	137 Å²	137	93%	0.93	78%	0.777	S	S	*	*				-168.3	161	125.7	-101.2	161.8	25.9	0	0	109.8
164	L	22.9	Very low	24.3	Very low	168 Å²	168	134.3 Å²	134.3	88%	0.88	78%	0.782	S	S	*	*			trans	-73.4	130.3	-162.2	-89.4	70	0	0	0	114.2
165	I	21	Very low	24	Very low	153 Å²	153	133.9 Å²	133.9	79%	0.785	79%	0.789	S	S	*	*	S	Bend		-160.9	127.8	105.9	-92.1	152.2	0	0	0	109.2	V167	I165-V167 PolarHBondContact O-N 2.79Å
166	G	22.4	Very low	23.9	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	79%	0.789	S	S	*	*	S	Bend	trans	76.1	-1.2	150.5	0	0	0	0	0	121.2
167	V	21.3	Very low	23.6	Very low	124 Å²	124	139.5 Å²	139.5	75%	0.752	79%	0.792	S	S	*	*			trans	-116.4	101.9	-177.6	-173.9	0	0	0	0	112.5	I165	I165-V167 PolarHBondContact O-N 2.79Å
168	F	23.3	Very low	23.4	Very low	216 Å²	216	139 Å²	139	95%	0.947	79%	0.791	S	S	*	*			trans	-115.6	91.4	168.2	-82.6	-74.9	0	0	0	111.3
169	S	27.4	Very low	23.4	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	79%	0.789	S	S	*	*			trans	-107.4	105.9	157.9	56.2	0	0	0	0	108.5
170	N	22	Very low	23.1	Very low	127 Å²	127	141.9 Å²	141.9	68%	0.679	79%	0.788	S	S	*	*			trans	-175	158.2	154.5	-110.2	-27.6	0	0	0	116.8
171	F	22.8	Very low	22.8	Very low	156 Å²	156	142.1 Å²	142.1	68%	0.684	78%	0.783	S	S	*	*			trans	54.1	108.6	154.8	-59.3	-51.4	0	0	0	121.2
172	D	22.9	Very low	22.8	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.775	S	S	*	*				28.9	93.6	101.7	-54.4	-50.4	0	0	0	117.6
173	S	23.1	Very low	22.8	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	77%	0.772	S	S	*	*				-175.7	152.2	129.3	37.8	0	0	0	0	110.3
174	G	24.1	Very low	22.7	Very low	83 Å²	83	137 Å²	137	86%	0.856	76%	0.764	S	S	*	*			trans	-88	112.2	171.6	0	0	0	0	0	110.6
175	S	21.6	Very low	22.8	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	76%	0.757	S	S	*	*			trans	-147.5	144.1	170.3	-73.9	0	0	0	0	110.5
176	I	23.2	Very low	22.9	Very low	149 Å²	149	136 Å²	136	76%	0.764	76%	0.757	S	S	*	*			trans	-92.3	139.7	179.8	-63.2	161.9	0	0	0	109.4
177	F	22.3	Very low	23	Very low	201 Å²	201	142.1 Å²	142.1	88%	0.882	76%	0.762	S	S	*	*			trans	-135.1	91.7	156.7	-81.1	-75.5	0	0	0	110.6
178	S	20.7	Very low	23.2	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	76%	0.759	S	S	*	*			trans	-82.6	129	162.7	51.7	0	0	0	0	109.4
179	L	22.2	Very low	23.3	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	74%	0.744	S	S	*	*			trans	-102	87.6	172.5	-142.4	111.1	0	0	0	109.3	L181	L179-L181 HydrophobicContact CD2-CD1 4.01Å; L179-L181 HydrophobicContact CD2-CG 4.16Å; L179-L181 PolarHBondContact O-N 3.37Å
180	E	20.8	Very low	23.3	Very low	136 Å²	136	139.6 Å²	139.6	64%	0.636	75%	0.754	S	S	*	*			trans	-67.4	117.2	168.7	-75.7	-166.2	126.9	0	0	109.9	K182	E180-K182 WeakPolarHBondContact OE1-CE 3.42Å; E180-K182 IonicContact OE1-NZ 2.66Å; E180-K182 PolarHBondContact OE1-NZ 3.46Å; E180-K182 WeakPolarHBondContact OE2-CE 3.25Å; E180-K182 IonicContact OE2-NZ 3.06Å; E180-K182 PolarHBondContact OE2-NZ 2.91Å
181	L	23.5	Very low	23.4	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	76%	0.76	S	S	*	*			trans	-111.2	92.1	163.3	-78.9	170.4	0	0	0	109.6	L179	L179-L181 HydrophobicContact CD2-CD1 4.01Å; L179-L181 HydrophobicContact CD2-CG 4.16Å; L179-L181 PolarHBondContact O-N 3.37Å
182	K	21.8	Very low	23.5	Very low	146 Å²	146	142 Å²	142	64%	0.635	77%	0.769	S	S	*	*			trans	-80.6	114.3	179.7	-78.1	167.4	169.3	146.8	0	111.3	E180	E180-K182 WeakPolarHBondContact OE1-CE 3.42Å; E180-K182 IonicContact OE1-NZ 2.66Å; E180-K182 PolarHBondContact OE1-NZ 3.46Å; E180-K182 WeakPolarHBondContact OE2-CE 3.25Å; E180-K182 IonicContact OE2-NZ 3.06Å; E180-K182 PolarHBondContact OE2-NZ 2.91Å
183	S	23.3	Very low	23.5	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	77%	0.769	S	S	*	*			trans	70.7	-174.8	160.6	81.8	0	0	0	0	118
184	F	24.3	Very low	23.6	Very low	173 Å²	173	145.3 Å²	145.3	76%	0.759	76%	0.761	S	S	*	*			trans	79.1	98.7	-167	-68	-94.7	0	0	0	114.8
185	K	23.9	Very low	23.6	Very low	170 Å²	170	148.7 Å²	148.7	74%	0.739	76%	0.758	S	S	*	*				80.6	99.6	70.8	-80.5	-171.6	172.5	-178.3	0	113.7
186	T	24.1	Very low	23.8	Very low	128 Å²	128	149.2 Å²	149.2	79%	0.785	75%	0.748	S	S	*	*			trans	39.5	95.7	139.3	56.7	0	0	0	0	117.7
187	F	25.4	Very low	23.9	Very low	210 Å²	210	145.5 Å²	145.5	92%	0.921	74%	0.739	S	S	*	*			trans	-131.2	141	145.4	-92.4	-80.4	0	0	0	110.4
188	S	25.5	Very low	24.2	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	72%	0.715	S	S	*	*			trans	-78.5	139	-178.8	51.2	0	0	0	0	111.7
189	N	25.3	Very low	24.5	Very low	121 Å²	121	142.8 Å²	142.8	65%	0.647	71%	0.714	S	S	*	*	S	Bend	trans	171.4	121.2	130.1	-83	-5.3	0	0	0	109.4	Y191	N189-Y191 WeakPolarHBondContact O-CD2 3.1Å; N189-Y191 PolarHBondContact O-N 2.9Å
190	D	25.6	Very low	24.8	Very low	162 Å²	162	142 Å²	142	87%	0.866	70%	0.7	S	S	*	*	S	Bend	trans	46.8	31.1	149	-52.7	-13.9	0	0	0	120.7
191	Y	24.3	Very low	25.1	Very low	205 Å²	205	144.5 Å²	144.5	80%	0.804	71%	0.712	S	S	*	*			trans	-113.5	103.8	164.7	-67.3	-75.8	0	0	0	110.9	N189 W193	N189-Y191 WeakPolarHBondContact O-CD2 3.1Å; N189-Y191 PolarHBondContact O-N 2.9Å; Y191-W193 PolarHBondContact O-N 3.17Å
192	C	25.1	Very low	25.4	Very low	128 Å²	128	143 Å²	143	87%	0.865	70%	0.699	S	S	*	*			trans	-73.1	115	174.3	-74.5	0	0	0	0	111.3	I194	C192-I194 PolarHBondContact O-N 3.49Å
193	W	23.6	Very low	25.7	Very low	211 Å²	211	142 Å²	142	80%	0.799	70%	0.697	S	S	*	*			trans	-81	105.8	175.3	-65.7	72.5	0	0	0	110.2	Y191	Y191-W193 PolarHBondContact O-N 3.17Å
194	I	24.8	Very low	26.1	Very low	121 Å²	121	141.1 Å²	141.1	62%	0.621	68%	0.68	S	S	*	*			trans	-93.2	102.2	170.5	-53.1	179.6	0	0	0	108.5	C192 F196	C192-I194 PolarHBondContact O-N 3.49Å; I194-F196 HydrophobicContact CB-CD2 4.21Å; I194-F196 HydrophobicContact CB-CE2 3.97Å; I194-F196 HydrophobicContact CG2-CD2 3.67Å; I194-F196 HydrophobicContact CG2-CE2 3.4Å; I194-F196 VanDerWaalsContact CG2-CE2 3.4Å; I194-F196 HydrophobicContact CG2-CG 4.39Å; I194-F196 HydrophobicContact CG2-CZ 3.92Å; I194-F196 PolarHBondContact O-N 2.86Å; I194-F196 VanDerWaalsContact O-N 3.14Å
195	I	24.8	Very low	26.5	Very low	154 Å²	154	136.2 Å²	136.2	79%	0.79	66%	0.664	S	S	*	*			trans	-77.2	96.3	177.2	-58.8	174.3	0	0	0	108.5	A197	I195-A197 PolarHBondContact O-N 3.3Å; I195-A197 VanDerWaalsContact O-N 3.11Å
196	F	26.4	Very low	26.8	Very low	112 Å²	112	132.2 Å²	132.2	49%	0.491	65%	0.648	S	S	.	*			trans	-78.9	90.5	179.7	-87.6	-81.7	0	0	0	112.1	I194 R198	I194-F196 HydrophobicContact CB-CD2 4.21Å; I194-F196 HydrophobicContact CB-CE2 3.97Å; I194-F196 HydrophobicContact CG2-CD2 3.67Å; I194-F196 HydrophobicContact CG2-CE2 3.4Å; I194-F196 VanDerWaalsContact CG2-CE2 3.4Å; I194-F196 HydrophobicContact CG2-CG 4.39Å; I194-F196 HydrophobicContact CG2-CZ 3.92Å; I194-F196 PolarHBondContact O-N 2.86Å; I194-F196 VanDerWaalsContact O-N 3.14Å; F196-R198 HydrophobicContact CD1-CG 4.27Å; F196-R198 PolarHBondContact O-N 2.8Å
197	A	25.1	Very low	27.2	Very low	70 Å²	70	131.2 Å²	131.2	58%	0.579	64%	0.637	S	S	*	*			trans	-73	57.9	171.4	0	0	0	0	0	112.8	I195 H199	I195-A197 PolarHBondContact O-N 3.3Å; I195-A197 VanDerWaalsContact O-N 3.11Å; A197-H199 PolarHBondContact O-N 3.42Å
198	R	28.5	Very low	27.5	Very low	101 Å²	101	125.8 Å²	125.8	38%	0.381	62%	0.615	S	S	.	*			trans	-76.5	6.8	-175.1	-94	176	163.4	169.9	-12	115.6	F196 E793	F196-R198 HydrophobicContact CD1-CG 4.27Å; F196-R198 PolarHBondContact O-N 2.8Å; R198-E793 IonicContact CZ-OE1 3.63Å; R198-E793 IonicContact CZ-OE2 2.65Å; R198-E793 VanDerWaalsContact CZ-OE2 3.29Å; R198-E793 VanDerWaalsContact NH1-CB 3.28Å; R198-E793 IonicContact NH1-OE1 2.66Å; R198-E793 PolarHBondContact NH1-OE1 2.8Å; R198-E793 IonicContact NH1-OE2 2.68Å; R198-E793 IonicContact NH2-OE1 2.61Å; R198-E793 PolarHBondContact NH2-OE1 3.34Å; R198-E793 IonicContact NH2-OE2 3.66Å; R198-E793 PolarHBondContact NH2-OE2 2.87Å
199	H	26.8	Very low	27.7	Very low	139 Å²	139	127.3 Å²	127.3	64%	0.644	62%	0.615	S	S	*	*			trans	-127.7	50.3	-175.2	-64.8	-26.2	0	0	0	113.2	A197	A197-H199 PolarHBondContact O-N 3.42Å
200	W	28.3	Very low	28.2	Very low	136 Å²	136	125.4 Å²	125.4	52%	0.515	60%	0.603	S	S	.	*			trans	-92.7	101.7	166.7	-79.8	41.1	0	0	0	109.6	F202 I224 F226	W200-F202 HydrophobicContact CB-CE2 4.39Å; W200-F202 HydrophobicContact CE3-CE1 4.49Å; W200-F202 AromaticContact CE3-CZ 3.97Å; W200-F202 HydrophobicContact CE3-CZ 3.97Å; W200-I224 HydrophobicContact CD2-CD1 4.42Å; W200-I224 HydrophobicContact CH2-CD1 4.02Å; W200-I224 HydrophobicContact CZ2-CD1 3.76Å; W200-I224 HydrophobicContact CZ3-CD1 4.44Å; W200-F226 HydrophobicContact CH2-CE2 4.16Å; W200-F226 HydrophobicContact CZ2-CE2 4.02Å; W200-F226 HydrophobicContact CZ2-CZ 4.29Å
201	Q	26.1	Very low	28.3	Very low	189 Å²	189	122.8 Å²	122.8	88%	0.883	60%	0.595	S	S	*	*			trans	-98.2	100.9	179.9	-163.8	174.1	21.4	0	0	110.1	Q203	Q201-Q203 PolarHBondContact O-N 3.36Å
202	F	29.7	Very low	28.7	Very low	126 Å²	126	121.1 Å²	121.1	55%	0.553	60%	0.6	S	S	*	*			trans	-72.3	107.5	179.4	-68.5	-83.6	0	0	0	111.2	W200 F204 L220	W200-F202 HydrophobicContact CB-CE2 4.39Å; W200-F202 HydrophobicContact CE3-CE1 4.49Å; W200-F202 AromaticContact CE3-CZ 3.97Å; W200-F202 HydrophobicContact CE3-CZ 3.97Å; F202-F204 HydrophobicContact CB-CE2 4.43Å; F202-L220 HydrophobicContact CB-CD2 4.13Å; F202-L220 HydrophobicContact CD1-CD1 4.12Å; F202-L220 HydrophobicContact CD1-CD2 4.28Å
203	Q	28.8	Very low	29.1	Very low	125 Å²	125	122.3 Å²	122.3	58%	0.584	59%	0.591	S	S	*	*			trans	-91.3	106.6	176.2	-169.1	172.1	27.7	0	0	110.6	Q201 T205	Q201-Q203 PolarHBondContact O-N 3.36Å; Q203-T205 HydrophobicContact CG-CG2 4.48Å; Q203-T205 PolarHBondContact O-N 2.64Å
204	F	32	Very low	29.4	Very low	85 Å²	85	117.2 Å²	117.2	37%	0.373	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	118.9	170.2	-60.3	-83	0	0	0	109.4	F202 L218 L220 Q751	F202-F204 HydrophobicContact CB-CE2 4.43Å; F204-L218 HydrophobicContact CB-CD2 4.05Å; F204-L218 HydrophobicContact CD1-CB 4.19Å; F204-L218 HydrophobicContact CD1-CD2 3.97Å; F204-L218 HydrophobicContact CD1-CG 4.49Å; F204-L218 HydrophobicContact CG-CD2 4.14Å; F204-L220 HydrophobicContact CD1-CD2 3.74Å; F204-L220 HydrophobicContact CD1-CG 3.85Å; F204-L220 HydrophobicContact CE1-CD1 3.91Å; F204-L220 HydrophobicContact CE1-CD2 3.8Å; F204-L220 HydrophobicContact CE1-CG 3.71Å; F204-L220 HydrophobicContact CG-CD2 4.23Å; F204-L220 HydrophobicContact CZ-CD1 4.45Å; F204-L220 HydrophobicContact CZ-CD2 4.31Å; F204-Q751 PolarHBondContact O-NE2 3.49Å
205	T	32.9	Very low	29.6	Very low	71 Å²	71	113.1 Å²	113.1	44%	0.436	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.5	-20.7	-170.1	51.9	0	0	0	0	114.1	Q203 I219	Q203-T205 HydrophobicContact CG-CG2 4.48Å; Q203-T205 PolarHBondContact O-N 2.64Å; T205-I219 PolarHBondContact N-O 2.75Å
206	E	29.6	Very low	29.7	Very low	85 Å²	85	108.9 Å²	108.9	40%	0.397	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	138.1	-170.9	-153.9	176	162.2	0	0	111	Q208 I219	E206-Q208 HydrophobicContact CG-CG 4.24Å; E206-Q208 PolarHBondContact OE1-NE2 3.21Å; E206-I219 PolarHBondContact O-N 3.41Å
207	I	32.9	Very low	30	Very low	108 Å²	108	105.5 Å²	105.5	55%	0.554	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	108.4	169	-60.9	174.2	0	0	0	107	P216 V217 L218	I207-P216 HydrophobicContact CG2-CB 3.83Å; I207-V217 WeakPolarHBondContact CA-O 3.28Å; I207-L218 HydrophobicContact CD1-CD2 4.28Å; I207-L218 HydrophobicContact CG1-CD2 3.73Å
208	Q	31.2	Very low	30.2	Very low	96 Å²	96	105.9 Å²	105.9	45%	0.449	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.2	173.6	-68.7	-167.8	-3.1	0	0	110.5	E206 V217	E206-Q208 HydrophobicContact CG-CG 4.24Å; E206-Q208 PolarHBondContact OE1-NE2 3.21Å; Q208-V217 PolarHBondContact N-O 2.78Å; Q208-V217 PolarHBondContact O-N 3.25Å
209	L	30	Very low	30.4	Very low	129 Å²	129	103.3 Å²	103.3	68%	0.675	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.2	168	-82.9	166	0	0	0	109	P211 P216	L209-P211 WeakPolarHBondContact O-CD 3.42Å; L209-P216 HydrophobicContact CD2-CB 4.4Å
210	I	35.2	Very low	30.5	Very low	81 Å²	81	98.6 Å²	98.6	42%	0.415	50%	0.502	S	S	.	.			trans	-77.2	120.8	173.6	-60.3	178	0	0	0	108.7	K213 V217	I210-K213 HydrophobicContact CB-CB 4.49Å; I210-K213 HydrophobicContact CG2-CB 4.29Å; I210-K213 HydrophobicContact CG2-CD 4.47Å; I210-K213 PolarHBondContact O-N 3.24Å; I210-V217 HydrophobicContact CD1-CG2 3.8Å; I210-V217 HydrophobicContact CG1-CG2 4.18Å
211	P	27.2	Very low	30.5	Very low	106 Å²	106	99.2 Å²	99.2	69%	0.688	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	146.7	175.1	-25.6	35.5	0	0	0	112	L209 K213	L209-P211 WeakPolarHBondContact O-CD 3.42Å; P211-K213 PolarHBondContact O-N 2.85Å; P211-K213 VanDerWaalsContact O-N 3.14Å
212	N	33.3	Very low	30.8	Very low	171 Å²	171	96.7 Å²	96.7	91%	0.914	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	12.3	-179.5	-53.6	-10.9	0	0	0	116.1
213	K	33	Very low	30.6	Very low	153 Å²	153	99.5 Å²	99.5	67%	0.665	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-13	177.3	-73.5	-165.9	174.1	-175.9	0	117.3	I210 P211 V215	I210-K213 HydrophobicContact CB-CB 4.49Å; I210-K213 HydrophobicContact CG2-CB 4.29Å; I210-K213 HydrophobicContact CG2-CD 4.47Å; I210-K213 PolarHBondContact O-N 3.24Å; P211-K213 PolarHBondContact O-N 2.85Å; P211-K213 VanDerWaalsContact O-N 3.14Å; K213-V215 PolarHBondContact O-N 3.2Å
214	C	30.2	Very low	30.5	Very low	103 Å²	103	98.6 Å²	98.6	70%	0.696	51%	0.507	S	S	*	.			trans	55.7	13.3	177.8	-63.4	0	0	0	0	116.3	P216	C214-P216 WeakPolarHBondContact O-CD 3.48Å
215	V	29.5	Very low	30.2	Very low	35 Å²	35	100.1 Å²	100.1	21%	0.212	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-94.6	118.9	174.1	-178.8	0	0	0	0	109.2	K213 W275	K213-V215 PolarHBondContact O-N 3.2Å; V215-W275 WeakPolarHBondContact CG2-O 3.17Å
216	P	27.6	Very low	30.1	Very low	65 Å²	65	102.6 Å²	102.6	42%	0.422	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	123.3	166.3	30.7	-31	0	0	0	109.6	I207 L209 C214	I207-P216 HydrophobicContact CG2-CB 3.83Å; L209-P216 HydrophobicContact CD2-CB 4.4Å; C214-P216 WeakPolarHBondContact O-CD 3.48Å
217	V	31.6	Very low	30	Very low	42 Å²	42	104.7 Å²	104.7	26%	0.255	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	123.5	177.5	-178.8	0	0	0	0	109.7	I207 Q208 I210 I219	I207-V217 WeakPolarHBondContact CA-O 3.28Å; Q208-V217 PolarHBondContact N-O 2.78Å; Q208-V217 PolarHBondContact O-N 3.25Å; I210-V217 HydrophobicContact CD1-CG2 3.8Å; I210-V217 HydrophobicContact CG1-CG2 4.18Å; V217-I219 HydrophobicContact CG1-CG1 4.39Å
218	L	30.8	Very low	29.8	Very low	77 Å²	77	101.5 Å²	101.5	40%	0.403	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.7	174.5	-80	162.5	0	0	0	110.5	F204 I207	F204-L218 HydrophobicContact CB-CD2 4.05Å; F204-L218 HydrophobicContact CD1-CB 4.19Å; F204-L218 HydrophobicContact CD1-CD2 3.97Å; F204-L218 HydrophobicContact CD1-CG 4.49Å; F204-L218 HydrophobicContact CG-CD2 4.14Å; I207-L218 HydrophobicContact CD1-CD2 4.28Å; I207-L218 HydrophobicContact CG1-CD2 3.73Å
219	I	31.7	Very low	29.9	Very low	48 Å²	48	101.8 Å²	101.8	25%	0.246	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.2	130.7	178.5	-58.4	173.6	0	0	0	110.1	T205 E206 V217	T205-I219 PolarHBondContact N-O 2.75Å; E206-I219 PolarHBondContact O-N 3.41Å; V217-I219 HydrophobicContact CG1-CG1 4.39Å
220	L	28.3	Very low	30.2	Very low	40 Å²	40	99.8 Å²	99.8	21%	0.209	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	134.6	171.2	-80.6	169.3	0	0	0	110.5	F202 F204 L271	F202-L220 HydrophobicContact CB-CD2 4.13Å; F202-L220 HydrophobicContact CD1-CD1 4.12Å; F202-L220 HydrophobicContact CD1-CD2 4.28Å; F204-L220 HydrophobicContact CD1-CD2 3.74Å; F204-L220 HydrophobicContact CD1-CG 3.85Å; F204-L220 HydrophobicContact CE1-CD1 3.91Å; F204-L220 HydrophobicContact CE1-CD2 3.8Å; F204-L220 HydrophobicContact CE1-CG 3.71Å; F204-L220 HydrophobicContact CG-CD2 4.23Å; F204-L220 HydrophobicContact CZ-CD1 4.45Å; F204-L220 HydrophobicContact CZ-CD2 4.31Å; L220-L271 HydrophobicContact CD1-CB 4.26Å; L220-L271 HydrophobicContact CD1-CD2 3.91Å
221	K	29.6	Very low	30.1	Very low	148 Å²	148	99.8 Å²	99.8	64%	0.643	56%	0.558	S	S	*	*			trans	-154.5	94.3	-175.7	-153.5	176.8	-169	177.8	0	112.6
222	N	31.4	Very low	30.3	Very low	137 Å²	137	102.4 Å²	102.4	73%	0.733	55%	0.554	S	S	*	*			trans	174.3	119.4	136.3	-87.8	-24.2	0	0	0	113.8
223	Y	26.3	Very low	30.4	Very low	185 Å²	185	101.6 Å²	101.6	73%	0.725	55%	0.545	S	S	*	.			trans	20.8	109.1	149	-52	-80.9	0	0	0	121.5
224	I	26.9	Very low	30.6	Very low	106 Å²	106	100.1 Å²	100.1	54%	0.544	54%	0.54	S	S	.	.			trans	-130.8	121.5	135.7	-54	177.6	0	0	0	108.2	W200 F226	W200-I224 HydrophobicContact CD2-CD1 4.42Å; W200-I224 HydrophobicContact CH2-CD1 4.02Å; W200-I224 HydrophobicContact CZ2-CD1 3.76Å; W200-I224 HydrophobicContact CZ3-CD1 4.44Å; I224-F226 HydrophobicContact CB-CE2 4.3Å; I224-F226 HydrophobicContact CG2-CD2 3.97Å; I224-F226 HydrophobicContact CG2-CE1 4.43Å; I224-F226 HydrophobicContact CG2-CE2 3.4Å; I224-F226 VanDerWaalsContact CG2-CE2 3.4Å; I224-F226 HydrophobicContact CG2-CZ 3.68Å
225	S	25.8	Very low	30.8	Very low	117 Å²	117	99.9 Å²	99.9	82%	0.818	53%	0.532	S	S	*	.			trans	-102.2	112.2	178.2	57.9	0	0	0	0	111.4
226	F	29.3	Very low	31	Very low	122 Å²	122	104.9 Å²	104.9	54%	0.535	55%	0.551	S	S	.	*			trans	-97.3	124.9	170.6	-69.6	-75.2	0	0	0	111.2	W200 I224	W200-F226 HydrophobicContact CH2-CE2 4.16Å; W200-F226 HydrophobicContact CZ2-CE2 4.02Å; W200-F226 HydrophobicContact CZ2-CZ 4.29Å; I224-F226 HydrophobicContact CB-CE2 4.3Å; I224-F226 HydrophobicContact CG2-CD2 3.97Å; I224-F226 HydrophobicContact CG2-CE1 4.43Å; I224-F226 HydrophobicContact CG2-CE2 3.4Å; I224-F226 VanDerWaalsContact CG2-CE2 3.4Å; I224-F226 HydrophobicContact CG2-CZ 3.68Å
227	S	27.8	Very low	31.7	Very low	130 Å²	130	105.9 Å²	105.9	91%	0.909	56%	0.556	S	S	*	*			trans	-91.5	2.6	-169.4	50.4	0	0	0	0	115.4
228	S	28.9	Very low	31.9	Very low	41 Å²	41	109.2 Å²	109.2	29%	0.287	57%	0.567	S	S	.	*			trans	-113	125.6	175.8	179.7	0	0	0	0	111.2	S230	S228-S230 PolarHBondContact OG-OG 3.23Å
229	P	34.3	Very low	32.2	Very low	102 Å²	102	109.7 Å²	109.7	66%	0.662	57%	0.569	S	S	*	*	S	Bend	trans	-73.2	-35.2	175.7	28.6	-32.7	0	0	0	112.5	C231 R232	P229-C231 PolarHBondContact O-N 3.49Å; P229-R232 WeakPolarHBondContact O-CB 3.33Å; P229-R232 PolarHBondContact O-N 3.43Å
230	S	34.6	Very low	32.6	Very low	87 Å²	87	112.2 Å²	112.2	61%	0.608	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-23.8	-177.3	60.7	0	0	0	0	113.4	S228 R232	S228-S230 PolarHBondContact OG-OG 3.23Å; S230-R232 VanDerWaalsContact C-N 3.26Å; S230-R232 PolarHBondContact O-N 2.93Å
231	C	34.1	Very low	33.1	Very low	80 Å²	80	114.9 Å²	114.9	54%	0.541	61%	0.605	S	S	.	*	H	α-helix	trans	-77.4	-7.8	173.7	-59.8	0	0	0	0	113.2	P229 L235	P229-C231 PolarHBondContact O-N 3.49Å; C231-L235 VanDerWaalsContact O-CB 3.24Å; C231-L235 WeakPolarHBondContact O-CB 3.24Å
232	R	32.2	Very low	33.4	Very low	161 Å²	161	109.9 Å²	109.9	61%	0.608	59%	0.588	S	S	*	*	H	α-helix	trans	-76.2	-56.9	-178.4	-66.7	-172.8	175.8	-163.3	-1.8	111.8	P229 S230 L235 F236	P229-R232 WeakPolarHBondContact O-CB 3.33Å; P229-R232 PolarHBondContact O-N 3.43Å; S230-R232 VanDerWaalsContact C-N 3.26Å; S230-R232 PolarHBondContact O-N 2.93Å; R232-L235 PolarHBondContact O-N 3Å; R232-F236 WeakPolarHBondContact O-CB 3.5Å; R232-F236 PolarHBondContact O-N 2.88Å
233	E	34.8	Very low	33.6	Very low	154 Å²	154	108.1 Å²	108.1	72%	0.72	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-42.5	-173.7	-64.1	178.2	141.1	0	0	112.9	L235 F236 T237	E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.17Å; E233-F236 WeakPolarHBondContact O-CB 3.15Å; E233-F236 PolarHBondContact O-N 2.81Å; E233-T237 WeakPolarHBondContact O-CB 3.21Å; E233-T237 PolarHBondContact O-N 3.43Å; E233-T237 PolarHBondContact O-OG1 2.76Å
234	E	35.9	Very low	33.9	Very low	122 Å²	122	104.4 Å²	104.4	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-62	-40.5	176.5	-111.2	-137.4	152.5	0	0	111.9	K238	E234-K238 WeakPolarHBondContact O-CB 3.19Å; E234-K238 WeakPolarHBondContact O-CD 3.42Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 3.06Å; E234-K238 IonicContact OE1-NZ 2.84Å; E234-K238 PolarHBondContact OE1-NZ 3.33Å; E234-K238 IonicContact OE2-NZ 2.67Å; E234-K238 PolarHBondContact OE2-NZ 2.78Å
235	L	34.5	Very low	34.6	Very low	99 Å²	99	102.4 Å²	102.4	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-74.5	-36.4	177.5	-154.1	82	0	0	0	111.2	C231 R232 E233 T237 K238 I239	C231-L235 VanDerWaalsContact O-CB 3.24Å; C231-L235 WeakPolarHBondContact O-CB 3.24Å; R232-L235 PolarHBondContact O-N 3Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.17Å; L235-T237 PolarHBondContact O-N 2.92Å; L235-K238 PolarHBondContact O-N 3.49Å; L235-I239 HydrophobicContact CD2-CD1 4.08Å; L235-I239 HydrophobicContact CG-CD1 4.01Å; L235-I239 HydrophobicContact CG-CG1 4.48Å; L235-I239 VanDerWaalsContact O-CB 3.3Å; L235-I239 WeakPolarHBondContact O-CB 3.3Å; L235-I239 WeakPolarHBondContact O-CD1 3.38Å; L235-I239 WeakPolarHBondContact O-CG1 3.23Å; L235-I239 PolarHBondContact O-N 3.45Å
236	F	34.8	Very low	35.4	Very low	140 Å²	140	102 Å²	102	61%	0.614	55%	0.549	S	S	*	.	H	α-helix	trans	-56.1	-51.2	172.7	-132.5	-96.6	0	0	0	110.5	R232 E233 K238 I239 V240	R232-F236 WeakPolarHBondContact O-CB 3.5Å; R232-F236 PolarHBondContact O-N 2.88Å; E233-F236 WeakPolarHBondContact O-CB 3.15Å; E233-F236 PolarHBondContact O-N 2.81Å; F236-K238 PolarHBondContact O-N 3.14Å; F236-I239 PolarHBondContact O-N 2.66Å; F236-V240 WeakPolarHBondContact O-CG2 3.14Å; F236-V240 PolarHBondContact O-N 2.96Å
237	T	42.4	Very low	35.8	Very low	86 Å²	86	99.7 Å²	99.7	53%	0.528	55%	0.545	S	S	.	.	H	α-helix	trans	-61	-47.6	178.9	-47.8	0	0	0	0	110.4	E233 L235 I239 V240 T241	E233-T237 WeakPolarHBondContact O-CB 3.21Å; E233-T237 PolarHBondContact O-N 3.43Å; E233-T237 PolarHBondContact O-OG1 2.76Å; L235-T237 PolarHBondContact O-N 2.92Å; T237-I239 VanDerWaalsContact C-N 3.31Å; T237-I239 PolarHBondContact O-N 2.92Å; T237-V240 PolarHBondContact O-N 2.99Å; T237-T241 HydrophobicContact CG2-CG2 4.47Å; T237-T241 WeakPolarHBondContact O-CG2 3.26Å; T237-T241 PolarHBondContact O-N 3.46Å; T237-T241 PolarHBondContact O-OG1 2.9Å; T237-T241 VanDerWaalsContact O-OG1 3.05Å
238	K	35.6	Very low	36.3	Very low	111 Å²	111	97.3 Å²	97.3	48%	0.483	52%	0.522	S	S	.	.	H	α-helix	trans	-67.3	-26.2	179.2	-70.8	166.1	-171	172.3	0	113.8	E234 L235 F236 C242	E234-K238 WeakPolarHBondContact O-CB 3.19Å; E234-K238 WeakPolarHBondContact O-CD 3.42Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 3.06Å; E234-K238 IonicContact OE1-NZ 2.84Å; E234-K238 PolarHBondContact OE1-NZ 3.33Å; E234-K238 IonicContact OE2-NZ 2.67Å; E234-K238 PolarHBondContact OE2-NZ 2.78Å; L235-K238 PolarHBondContact O-N 3.49Å; F236-K238 PolarHBondContact O-N 3.14Å; K238-C242 WeakPolarHBondContact O-CB 3.47Å; K238-C242 PolarHBondContact O-N 2.84Å
239	I	36.3	Very low	36.8	Very low	88 Å²	88	98.2 Å²	98.2	45%	0.451	52%	0.524	S	S	.	.	H	α-helix	trans	-74.4	-48.1	172.1	-73.9	165.2	0	0	0	110.1	L235 F236 T237 T241 C242 L245	L235-I239 HydrophobicContact CD2-CD1 4.08Å; L235-I239 HydrophobicContact CG-CD1 4.01Å; L235-I239 HydrophobicContact CG-CG1 4.48Å; L235-I239 VanDerWaalsContact O-CB 3.3Å; L235-I239 WeakPolarHBondContact O-CB 3.3Å; L235-I239 WeakPolarHBondContact O-CD1 3.38Å; L235-I239 WeakPolarHBondContact O-CG1 3.23Å; L235-I239 PolarHBondContact O-N 3.45Å; F236-I239 PolarHBondContact O-N 2.66Å; T237-I239 VanDerWaalsContact C-N 3.31Å; T237-I239 PolarHBondContact O-N 2.92Å; I239-T241 PolarHBondContact O-N 3.2Å; I239-C242 WeakPolarHBondContact O-CB 3.46Å; I239-C242 PolarHBondContact O-N 2.86Å; I239-C242 VanDerWaalsContact O-N 3.09Å; I239-L245 HydrophobicContact CG2-CD2 3.82Å; I239-L245 VanDerWaalsContact O-CD2 3.25Å; I239-L245 WeakPolarHBondContact O-CD2 3.43Å
240	V	40.7	Very low	36.9	Very low	101 Å²	101	98.7 Å²	98.7	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-37.8	178.7	173.3	0	0	0	0	111.7	F236 T237 C242	F236-V240 WeakPolarHBondContact O-CG2 3.14Å; F236-V240 PolarHBondContact O-N 2.96Å; T237-V240 PolarHBondContact O-N 2.99Å; V240-C242 VanDerWaalsContact C-N 3.29Å; V240-C242 PolarHBondContact O-N 3.08Å
241	T	39.2	Very low	37	Very low	96 Å²	96	97.3 Å²	97.3	59%	0.589	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	4.1	173.7	66.9	0	0	0	0	113.8	T237 I239 P243	T237-T241 HydrophobicContact CG2-CG2 4.47Å; T237-T241 WeakPolarHBondContact O-CG2 3.26Å; T237-T241 PolarHBondContact O-N 3.46Å; T237-T241 PolarHBondContact O-OG1 2.9Å; T237-T241 VanDerWaalsContact O-OG1 3.05Å; I239-T241 PolarHBondContact O-N 3.2Å; T241-P243 VanDerWaalsContact O-CD 3.28Å; T241-P243 WeakPolarHBondContact O-CD 3.32Å
242	C	35.5	Very low	37.1	Very low	43 Å²	43	100.9 Å²	100.9	29%	0.291	51%	0.508	S	S	.	.			trans	-65.9	119.7	-178.5	-178.6	0	0	0	0	109.5	K238 I239 V240 L244 L245 K246	K238-C242 WeakPolarHBondContact O-CB 3.47Å; K238-C242 PolarHBondContact O-N 2.84Å; I239-C242 WeakPolarHBondContact O-CB 3.46Å; I239-C242 PolarHBondContact O-N 2.86Å; I239-C242 VanDerWaalsContact O-N 3.09Å; V240-C242 VanDerWaalsContact C-N 3.29Å; V240-C242 PolarHBondContact O-N 3.08Å; C242-L244 PolarHBondContact O-N 3.04Å; C242-L244 VanDerWaalsContact O-N 3.09Å; C242-L245 HydrophobicContact CB-CB 3.92Å; C242-L245 PolarHBondContact O-N 3.3Å; C242-K246 PolarHBondContact O-N 3.4Å
243	P	36.1	Very low	37.1	Very low	100 Å²	100	97.3 Å²	97.3	65%	0.649	50%	0.498	S	S	*	.	H	α-helix	trans	-56.9	-31.4	179	-25.6	35.2	0	0	0	112.1	T241 T247	T241-P243 VanDerWaalsContact O-CD 3.28Å; T241-P243 WeakPolarHBondContact O-CD 3.32Å; P243-T247 VanDerWaalsContact O-CB 3.31Å; P243-T247 WeakPolarHBondContact O-CB 3.17Å; P243-T247 PolarHBondContact O-N 2.88Å; P243-T247 PolarHBondContact O-OG1 2.8Å
244	L	33	Very low	37	Very low	106 Å²	106	95.3 Å²	95.3	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-75.9	-30.5	179.6	-142.8	146.5	0	0	0	112.5	C242 L248	C242-L244 PolarHBondContact O-N 3.04Å; C242-L244 VanDerWaalsContact O-N 3.09Å; L244-L248 HydrophobicContact CD2-CD1 4.2Å; L244-L248 WeakPolarHBondContact O-CB 3.23Å; L244-L248 WeakPolarHBondContact O-CD1 3.42Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 2.81Å
245	L	41.3	Very low	36.8	Very low	65 Å²	65	92.9 Å²	92.9	34%	0.34	48%	0.482	S	S	.	.	H	α-helix	trans	-74.8	-41	170.8	-168.8	73.6	0	0	0	111.1	I239 C242 L248 L249	I239-L245 HydrophobicContact CG2-CD2 3.82Å; I239-L245 VanDerWaalsContact O-CD2 3.25Å; I239-L245 WeakPolarHBondContact O-CD2 3.43Å; C242-L245 HydrophobicContact CB-CB 3.92Å; C242-L245 PolarHBondContact O-N 3.3Å; L245-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 PolarHBondContact O-N 3.4Å; L245-L248 VanDerWaalsContact O-N 3.17Å; L245-L249 HydrophobicContact CG-CD1 4.39Å; L245-L249 WeakPolarHBondContact O-CG 3.31Å; L245-L249 PolarHBondContact O-N 2.8Å
246	K	41.7	Very low	36.8	Very low	107 Å²	107	93.4 Å²	93.4	47%	0.465	49%	0.494	S	S	.	.	H	α-helix	trans	-57.8	-50.6	171.8	178.5	170.8	174.4	173.4	0	110.9	C242 L248 L249 E250	C242-K246 PolarHBondContact O-N 3.4Å; K246-L248 VanDerWaalsContact C-N 3.3Å; K246-L248 PolarHBondContact O-N 2.91Å; K246-L249 PolarHBondContact O-N 2.83Å; K246-L249 VanDerWaalsContact O-N 3.14Å; K246-E250 VanDerWaalsContact CE-CD 3.46Å; K246-E250 WeakPolarHBondContact CE-OE1 3.24Å; K246-E250 HydrophobicContact CG-CG 4.35Å; K246-E250 IonicContact NZ-OE1 2.67Å; K246-E250 WeakPolarHBondContact O-CB 3.47Å; K246-E250 WeakPolarHBondContact O-CG 3.49Å; K246-E250 PolarHBondContact O-N 3.14Å
247	T	38.6	Very low	36.8	Very low	74 Å²	74	95.2 Å²	95.2	45%	0.454	50%	0.504	S	S	.	.	H	α-helix	trans	-59.4	-37.2	173.8	-60.5	0	0	0	0	112.1	P243 E250 T251	P243-T247 VanDerWaalsContact O-CB 3.31Å; P243-T247 WeakPolarHBondContact O-CB 3.17Å; P243-T247 PolarHBondContact O-N 2.88Å; P243-T247 PolarHBondContact O-OG1 2.8Å; T247-E250 PolarHBondContact O-N 3.34Å; T247-T251 WeakPolarHBondContact O-CB 3.45Å; T247-T251 PolarHBondContact O-N 3.06Å; T247-T251 PolarHBondContact O-OG1 3.11Å
248	L	37.5	Very low	36.2	Very low	80 Å²	80	97.6 Å²	97.6	42%	0.419	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-45	174	-86.5	162.6	0	0	0	112.1	L244 L245 K246 T251 Y252	L244-L248 HydrophobicContact CD2-CD1 4.2Å; L244-L248 WeakPolarHBondContact O-CB 3.23Å; L244-L248 WeakPolarHBondContact O-CD1 3.42Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 2.81Å; L245-L248 WeakPolarHBondContact O-CB 3.39Å; L245-L248 PolarHBondContact O-N 3.4Å; L245-L248 VanDerWaalsContact O-N 3.17Å; K246-L248 VanDerWaalsContact C-N 3.3Å; K246-L248 PolarHBondContact O-N 2.91Å; L248-T251 PolarHBondContact O-N 2.78Å; L248-Y252 HydrophobicContact CD2-CD2 3.98Å; L248-Y252 HydrophobicContact CD2-CE2 3.76Å; L248-Y252 WeakPolarHBondContact O-CB 3.45Å; L248-Y252 WeakPolarHBondContact O-CD2 3.3Å; L248-Y252 PolarHBondContact O-N 3.41Å
249	L	40.5	Very low	35.9	Very low	61 Å²	61	96.7 Å²	96.7	32%	0.319	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-41	177.3	-66.3	165.3	0	0	0	111.7	L245 K246 E253 F254	L245-L249 HydrophobicContact CG-CD1 4.39Å; L245-L249 WeakPolarHBondContact O-CG 3.31Å; L245-L249 PolarHBondContact O-N 2.8Å; K246-L249 PolarHBondContact O-N 2.83Å; K246-L249 VanDerWaalsContact O-N 3.14Å; L249-E253 PolarHBondContact O-N 3.29Å; L249-F254 HydrophobicContact CB-CB 4.47Å; L249-F254 HydrophobicContact CD2-CB 3.63Å; L249-F254 HydrophobicContact CD2-CD2 4.29Å; L249-F254 HydrophobicContact CD2-CG 4.02Å; L249-F254 PolarHBondContact O-N 2.87Å
250	E	36.5	Very low	35.7	Very low	112 Å²	112	97.3 Å²	97.3	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-71.8	-28.2	177.2	-69.8	173.8	153.7	0	0	113.4	K246 T247	K246-E250 VanDerWaalsContact CE-CD 3.46Å; K246-E250 WeakPolarHBondContact CE-OE1 3.24Å; K246-E250 HydrophobicContact CG-CG 4.35Å; K246-E250 IonicContact NZ-OE1 2.67Å; K246-E250 WeakPolarHBondContact O-CB 3.47Å; K246-E250 WeakPolarHBondContact O-CG 3.49Å; K246-E250 PolarHBondContact O-N 3.14Å; T247-E250 PolarHBondContact O-N 3.34Å
251	T	36.1	Very low	35.1	Very low	57 Å²	57	99.5 Å²	99.5	35%	0.35	53%	0.526	S	S	.	.	H	α-helix	trans	-88.4	-17.7	-179.1	-57.4	0	0	0	0	113.2	T247 L248 F286	T247-T251 WeakPolarHBondContact O-CB 3.45Å; T247-T251 PolarHBondContact O-N 3.06Å; T247-T251 PolarHBondContact O-OG1 3.11Å; L248-T251 PolarHBondContact O-N 2.78Å; T251-F286 HydrophobicContact CG2-CZ 4.36Å
252	Y	34.9	Very low	34.5	Very low	156 Å²	156	101.6 Å²	101.6	61%	0.612	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	14.4	-175.8	-78.3	-84.9	0	0	0	114.7	L248 F254	L248-Y252 HydrophobicContact CD2-CD2 3.98Å; L248-Y252 HydrophobicContact CD2-CE2 3.76Å; L248-Y252 WeakPolarHBondContact O-CB 3.45Å; L248-Y252 WeakPolarHBondContact O-CD2 3.3Å; L248-Y252 PolarHBondContact O-N 3.41Å; Y252-F254 PolarHBondContact O-N 3.27Å
253	E	33.7	Very low	34	Very low	86 Å²	86	108.1 Å²	108.1	40%	0.402	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	51	51.8	-179.1	-61.9	-164.7	92.7	0	0	113.8	L249 P255 Q285	L249-E253 PolarHBondContact O-N 3.29Å; E253-P255 VanDerWaalsContact O-CD 3.3Å; E253-P255 WeakPolarHBondContact O-CD 3.36Å; E253-Q285 VanDerWaalsContact CD-CG 3.43Å; E253-Q285 VanDerWaalsContact CG-CD 3.49Å; E253-Q285 HydrophobicContact CG-CG 4.11Å; E253-Q285 VanDerWaalsContact CG-NE2 3.31Å; E253-Q285 VanDerWaalsContact OE1-CD 3.25Å; E253-Q285 WeakPolarHBondContact OE1-CG 3.38Å; E253-Q285 PolarHBondContact OE1-NE2 3.27Å
254	F	31.3	Very low	33.6	Very low	111 Å²	111	110.5 Å²	110.5	49%	0.487	56%	0.556	S	S	.	*			trans	-88.7	113	167.9	-80.2	-83.9	0	0	0	109.9	L249 Y252 S256	L249-F254 HydrophobicContact CB-CB 4.47Å; L249-F254 HydrophobicContact CD2-CB 3.63Å; L249-F254 HydrophobicContact CD2-CD2 4.29Å; L249-F254 HydrophobicContact CD2-CG 4.02Å; L249-F254 PolarHBondContact O-N 2.87Å; Y252-F254 PolarHBondContact O-N 3.27Å; F254-S256 PolarHBondContact O-N 2.89Å
255	P	32.9	Very low	33.3	Very low	72 Å²	72	111.1 Å²	111.1	47%	0.468	57%	0.568	S	S	.	*			trans	-63.3	121.6	169.4	-17.9	33.4	0	0	0	107.9	E253 Q257 L258	E253-P255 VanDerWaalsContact O-CD 3.3Å; E253-P255 WeakPolarHBondContact O-CD 3.36Å; P255-Q257 PolarHBondContact O-N 2.88Å; P255-L258 HydrophobicContact CB-CD1 4.23Å; P255-L258 HydrophobicContact CG-CD1 4.05Å; P255-L258 PolarHBondContact O-N 3.38Å; P255-L258 VanDerWaalsContact O-N 3.07Å
256	S	33.1	Very low	32.7	Very low	110 Å²	110	112.1 Å²	112.1	77%	0.769	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-14.3	-176.2	48	0	0	0	0	114	F254	F254-S256 PolarHBondContact O-N 2.89Å
257	Q	35.2	Very low	32.2	Very low	177 Å²	177	116.3 Å²	116.3	83%	0.827	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-6.8	-179.6	-64.6	167.9	-21.3	0	0	114.3	P255	P255-Q257 PolarHBondContact O-N 2.88Å
258	L	31	Very low	31.6	Very low	136 Å²	136	117.7 Å²	117.7	71%	0.712	61%	0.606	S	S	*	*			trans	-103.2	12.7	-169.1	-101.5	164.9	0	0	0	115.9	P255 S260	P255-L258 HydrophobicContact CB-CD1 4.23Å; P255-L258 HydrophobicContact CG-CD1 4.05Å; P255-L258 PolarHBondContact O-N 3.38Å; P255-L258 VanDerWaalsContact O-N 3.07Å; L258-S260 PolarHBondContact O-N 2.85Å
259	I	29.3	Very low	31.1	Very low	93 Å²	93	120.6 Å²	120.6	48%	0.477	63%	0.631	S	S	.	*			trans	-97.1	87.6	179.2	-48.9	179.6	0	0	0	110.6	F261	I259-F261 HydrophobicContact CB-CE2 4.46Å; I259-F261 HydrophobicContact CG2-CD2 3.98Å; I259-F261 HydrophobicContact CG2-CE1 4.43Å; I259-F261 HydrophobicContact CG2-CE2 3.42Å; I259-F261 VanDerWaalsContact CG2-CE2 3.42Å; I259-F261 HydrophobicContact CG2-CZ 3.69Å
260	S	30.6	Very low	30.4	Very low	100 Å²	100	124.8 Å²	124.8	70%	0.699	65%	0.649	S	S	*	*			trans	-85.9	106.9	174.8	60.5	0	0	0	0	112.1	L258	L258-S260 PolarHBondContact O-N 2.85Å
261	F	28.2	Very low	29.9	Very low	148 Å²	148	123.5 Å²	123.5	65%	0.649	65%	0.645	S	S	*	*			trans	-86.7	105	170.9	-67.6	-81.7	0	0	0	111	I259 E263 L271	I259-F261 HydrophobicContact CB-CE2 4.46Å; I259-F261 HydrophobicContact CG2-CD2 3.98Å; I259-F261 HydrophobicContact CG2-CE1 4.43Å; I259-F261 HydrophobicContact CG2-CE2 3.42Å; I259-F261 VanDerWaalsContact CG2-CE2 3.42Å; I259-F261 HydrophobicContact CG2-CZ 3.69Å; F261-E263 PolarHBondContact O-N 3.42Å; F261-L271 HydrophobicContact CE1-CD1 4.21Å
262	E	26.8	Very low	29.5	Very low	139 Å²	139	126.3 Å²	126.3	65%	0.65	66%	0.657	S	S	*	*			trans	-75.4	97	163.8	-85.6	-141.7	128.5	0	0	110.1	K264	E262-K264 PolarHBondContact O-N 2.83Å; E262-K264 IonicContact OE1-NZ 2.75Å; E262-K264 PolarHBondContact OE1-NZ 2.86Å; E262-K264 IonicContact OE2-NZ 3.11Å; E262-K264 PolarHBondContact OE2-NZ 3.45Å
263	E	26.4	Very low	29.2	Very low	180 Å²	180	123.9 Å²	123.9	84%	0.841	65%	0.654	S	S	*	*			trans	-76.4	85.8	173.7	-170.5	171.3	-142.6	0	0	111.3	F261	F261-E263 PolarHBondContact O-N 3.42Å
264	K	27.3	Very low	28.9	Very low	150 Å²	150	122.7 Å²	122.7	65%	0.652	67%	0.665	S	S	*	*			trans	-101.4	114.6	169.3	-77.5	180	172.5	107.7	0	111	E262 S266	E262-K264 PolarHBondContact O-N 2.83Å; E262-K264 IonicContact OE1-NZ 2.75Å; E262-K264 PolarHBondContact OE1-NZ 2.86Å; E262-K264 IonicContact OE2-NZ 3.11Å; E262-K264 PolarHBondContact OE2-NZ 3.45Å; K264-S266 PolarHBondContact O-N 2.79Å
265	C	26.2	Very low	28.8	Very low	119 Å²	119	124 Å²	124	80%	0.804	67%	0.667	S	S	*	*			trans	-73.1	107.8	-169.9	-44.2	0	0	0	0	113.3
266	S	28.4	Very low	28.6	Very low	87 Å²	87	130 Å²	130	61%	0.608	69%	0.685	S	S	*	*	S	Bend	trans	178.3	105.6	144	55.8	0	0	0	0	112.6	K264 N268	K264-S266 PolarHBondContact O-N 2.79Å; S266-N268 PolarHBondContact O-N 2.84Å
267	H	30.6	Very low	28.3	Very low	194 Å²	194	129.2 Å²	129.2	90%	0.898	68%	0.679	S	S	*	*	S	Bend	trans	54.1	-13.3	160.4	-55.4	-69.9	0	0	0	120.9
268	N	27.8	Very low	27.9	Very low	104 Å²	104	124.2 Å²	124.2	56%	0.556	66%	0.663	S	S	*	*			trans	-133.6	98.9	-179.3	-71.9	-63.3	0	0	0	109.7	S266 Q270	S266-N268 PolarHBondContact O-N 2.84Å; N268-Q270 PolarHBondContact O-N 2.86Å; N268-Q270 VanDerWaalsContact O-N 3.14Å
269	C	25.5	Very low	27.7	Very low	140 Å²	140	123 Å²	123	95%	0.946	67%	0.673	S	S	*	*			trans	-74.3	103.3	172.7	-64.2	0	0	0	0	109.5
270	Q	26	Very low	27.7	Very low	149 Å²	149	122.4 Å²	122.4	70%	0.696	67%	0.665	S	S	*	*			trans	-82.4	115.6	169.7	-68.6	-178	-18.3	0	0	109.1	N268 L272	N268-Q270 PolarHBondContact O-N 2.86Å; N268-Q270 VanDerWaalsContact O-N 3.14Å; Q270-L272 PolarHBondContact O-N 3.02Å
271	L	26.5	Very low	27.8	Very low	85 Å²	85	122.4 Å²	122.4	45%	0.445	66%	0.656	S	S	.	*			trans	-78.6	110.3	172.5	-169	77.2	0	0	0	108.8	L220 F261 I273	L220-L271 HydrophobicContact CD1-CB 4.26Å; L220-L271 HydrophobicContact CD1-CD2 3.91Å; F261-L271 HydrophobicContact CE1-CD1 4.21Å; L271-I273 HydrophobicContact CD2-CD1 4.02Å; L271-I273 HydrophobicContact CD2-CG1 4.49Å; L271-I273 HydrophobicContact CG-CD1 4.46Å; L271-I273 HydrophobicContact CG-CG1 4.4Å
272	L	27.4	Very low	27.8	Very low	116 Å²	116	123.9 Å²	123.9	61%	0.607	66%	0.657	S	S	*	*			trans	-105	108.6	-171.9	-140.6	156	0	0	0	109.3	Q270	Q270-L272 PolarHBondContact O-N 3.02Å
273	I	28.7	Very low	27.9	Very low	105 Å²	105	120.2 Å²	120.2	54%	0.538	65%	0.646	S	S	.	*			trans	-117.1	103.5	178.8	-57.5	177.2	0	0	0	108.2	L271	L271-I273 HydrophobicContact CD2-CD1 4.02Å; L271-I273 HydrophobicContact CD2-CG1 4.49Å; L271-I273 HydrophobicContact CG-CD1 4.46Å; L271-I273 HydrophobicContact CG-CG1 4.4Å
274	G	27.4	Very low	27.9	Very low	61 Å²	61	114.7 Å²	114.7	63%	0.629	62%	0.621	S	S	*	*			trans	-90.2	149.7	174	0	0	0	0	0	112
275	W	29.2	Very low	28.1	Very low	139 Å²	139	112.3 Å²	112.3	53%	0.527	61%	0.613	S	S	.	*			trans	-131.8	130	174.7	-153.6	49.5	0	0	0	109.8	V215 R282	V215-W275 WeakPolarHBondContact CG2-O 3.17Å; W275-R282 VanDerWaalsContact CZ2-NH1 3.3Å
276	K	28	Very low	28.2	Very low	198 Å²	198	112.5 Å²	112.5	86%	0.861	60%	0.6	S	S	*	*			trans	-110.7	125.9	-177.2	-169.1	-177.9	-179.6	-172.4	0	108.6
277	C	26.9	Very low	28.1	Very low	93 Å²	93	114.6 Å²	114.6	63%	0.628	60%	0.604	S	S	*	*			trans	-73.1	129.6	-168.6	-64.3	0	0	0	0	114.1
278	S	27.5	Very low	27.9	Very low	72 Å²	72	114.8 Å²	114.8	50%	0.503	60%	0.597	S	S	.	*			trans	-135.2	137.2	134.8	60	0	0	0	0	107.4	W280	S278-W280 VanDerWaalsContact C-N 3.32Å; S278-W280 PolarHBondContact O-N 2.96Å
279	A	26.6	Very low	28	Very low	110 Å²	110	117.5 Å²	117.5	91%	0.909	61%	0.606	S	S	*	*	S	Bend	trans	-90.9	18.8	-165	0	0	0	0	0	114.7
280	W	30.3	Very low	28.1	Very low	82 Å²	82	120.6 Å²	120.6	31%	0.311	60%	0.604	S	S	.	*	S	Bend	trans	-101.3	-57.1	-175.4	-72.7	-24.5	0	0	0	114.5	S278 R282 C283 F315 D353 Q354	S278-W280 VanDerWaalsContact C-N 3.32Å; S278-W280 PolarHBondContact O-N 2.96Å; W280-R282 VanDerWaalsContact C-N 3.25Å; W280-R282 PolarHBondContact O-N 2.66Å; W280-C283 PolarHBondContact O-N 3.31Å; W280-F315 AromaticContact CH2-CE1 3.97Å; W280-F315 HydrophobicContact CH2-CE1 3.97Å; W280-F315 HydrophobicContact CH2-CZ 4.14Å; W280-F315 HydrophobicContact CZ3-CZ 4.42Å; W280-D353 HydrophobicContact CB-CB 4.34Å; W280-D353 HydrophobicContact CD2-CB 4.24Å; W280-D353 HydrophobicContact CE3-CB 3.86Å; W280-D353 WeakPolarHBondContact CH2-O 3.4Å; W280-D353 WeakPolarHBondContact CZ2-O 3.08Å; W280-D353 HydrophobicContact CZ3-CB 4.47Å; W280-D353 WeakPolarHBondContact CZ3-O 3.42Å; W280-Q354 HydrophobicContact CH2-CB 4.41Å; W280-Q354 HydrophobicContact CZ2-CB 3.61Å; W280-Q354 HydrophobicContact CZ2-CG 4.29Å; W280-Q354 VanDerWaalsContact NE1-CD 3.26Å
281	L	32.1	Very low	28.1	Very low	100 Å²	100	119.1 Å²	119.1	52%	0.524	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-59	-26.1	-156.2	-80.9	152.4	0	0	0	115.7	C283 M284	L281-C283 PolarHBondContact O-N 3.33Å; L281-M284 PolarHBondContact O-N 3.03Å; L281-M284 VanDerWaalsContact O-N 3.12Å
282	R	28.4	Very low	28.1	Very low	178 Å²	178	120.4 Å²	120.4	67%	0.672	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-72.2	10.7	179.4	-81.4	-171.9	172.8	157.6	3.6	115.6	W275 W280	W275-R282 VanDerWaalsContact CZ2-NH1 3.3Å; W280-R282 VanDerWaalsContact C-N 3.25Å; W280-R282 PolarHBondContact O-N 2.66Å
283	C	29.5	Very low	28.1	Very low	62 Å²	62	123.5 Å²	123.5	42%	0.419	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-100.1	-6.4	165.9	-79.4	0	0	0	0	114.7	W280 L281	W280-C283 PolarHBondContact O-N 3.31Å; L281-C283 PolarHBondContact O-N 3.33Å
284	M	26.5	Very low	28.1	Very low	64 Å²	64	124.1 Å²	124.1	32%	0.315	65%	0.653	S	S	.	*	S	Bend	trans	-87.8	-31	-165.8	-100.9	-66.5	-162.8	0	0	116.5	L281 N336 N351 T352 D353	L281-M284 PolarHBondContact O-N 3.03Å; L281-M284 VanDerWaalsContact O-N 3.12Å; M284-N336 HydrophobicContact CE-CB 4.1Å; M284-N336 PolarHBondContact O-ND2 3.14Å; M284-N336 HydrophobicContact SD-CB 3.9Å; M284-N336 PolarHBondContact SD-ND2 3.26Å; M284-N351 HydrophobicContact CE-CB 4.49Å; M284-T352 VanDerWaalsContact CE-OG1 3.31Å; M284-T352 WeakPolarHBondContact CE-OG1 2.92Å; M284-T352 WeakPolarHBondContact CG-OG1 3.39Å; M284-T352 PolarHBondContact SD-OG1 2.69Å; M284-D353 VanDerWaalsContact CE-OD2 3.23Å; M284-D353 WeakPolarHBondContact CE-OD2 3.49Å
285	Q	30.8	Very low	28.1	Very low	100 Å²	100	130.1 Å²	130.1	47%	0.467	66%	0.658	S	S	.	*			trans	-98.3	114.4	-175.8	-75.5	-151.1	28.1	0	0	115.3	E253	E253-Q285 VanDerWaalsContact CD-CG 3.43Å; E253-Q285 VanDerWaalsContact CG-CD 3.49Å; E253-Q285 HydrophobicContact CG-CG 4.11Å; E253-Q285 VanDerWaalsContact CG-NE2 3.31Å; E253-Q285 VanDerWaalsContact OE1-CD 3.25Å; E253-Q285 WeakPolarHBondContact OE1-CG 3.38Å; E253-Q285 PolarHBondContact OE1-NE2 3.27Å
286	F	27.9	Very low	28.2	Very low	124 Å²	124	131.3 Å²	131.3	54%	0.544	68%	0.675	S	S	.	*				-176.5	110.1	101.8	-110.1	-75.4	0	0	0	110.3	T251 R288	T251-F286 HydrophobicContact CG2-CZ 4.36Å; F286-R288 HydrophobicContact CD1-CG 4.45Å
287	N	27.4	Very low	28.2	Very low	130 Å²	130	127.9 Å²	127.9	70%	0.695	67%	0.666	S	S	*	*			trans	-144.4	112.7	165.2	-158.3	-8.3	0	0	0	110.4	H289	N287-H289 VanDerWaalsContact C-N 3.32Å; N287-H289 PolarHBondContact O-N 3.2Å
288	R	26.7	Very low	28.5	Very low	199 Å²	199	129.7 Å²	129.7	75%	0.751	67%	0.669	S	S	*	*			trans	-85.9	57.7	-163.6	-78.7	-178.1	163.8	177.5	-5	113.6	F286	F286-R288 HydrophobicContact CD1-CG 4.45Å
289	H	28.7	Very low	28.5	Very low	160 Å²	160	135.9 Å²	135.9	74%	0.741	68%	0.683	S	S	*	*			trans	-126.4	30.5	-180	-74.8	-50.2	0	0	0	115.5	N287	N287-H289 VanDerWaalsContact C-N 3.32Å; N287-H289 PolarHBondContact O-N 3.2Å
290	F	27.3	Very low	28.9	Very low	206 Å²	206	136.5 Å²	136.5	90%	0.904	67%	0.671	S	S	*	*			trans	-134.1	85	163.9	-90.4	-81.2	0	0	0	111.3
291	S	26	Very low	29.1	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	70%	0.697	S	S	*	*			trans	-143.9	47.9	177.4	61.5	0	0	0	0	111.7
292	S	26.1	Very low	29.5	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	71%	0.706	S	S	*	*			trans	-145.4	26.1	-178.1	57.4	0	0	0	0	115.2
293	M	28.4	Very low	29.9	Very low	182 Å²	182	140.2 Å²	140.2	90%	0.897	71%	0.705	S	S	*	*			trans	-125.5	118.5	154.9	-77.1	-158.3	-75	0	0	109.8
294	S	28.6	Very low	30	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	71%	0.714	S	S	*	*			trans	-78.5	144.5	176.6	49.4	0	0	0	0	111.1	N296	S294-N296 PolarHBondContact O-N 3.06Å
295	Y	27.8	Very low	30.5	Very low	188 Å²	188	145.7 Å²	145.7	74%	0.737	73%	0.734	S	S	*	*			trans	-49.1	134.3	169.5	-82.9	-117.2	0	0	0	111.9
296	N	31.6	Very low	30.6	Very low	164 Å²	164	147 Å²	147	88%	0.877	74%	0.743	S	S	*	*			trans	-122.6	134.3	134.7	-87.7	-31.2	0	0	0	106.1	S294	S294-N296 PolarHBondContact O-N 3.06Å
297	N	27	Very low	30.8	Very low	125 Å²	125	147.8 Å²	147.8	67%	0.668	75%	0.752	S	S	*	*			trans	-76.7	153.2	178	-46.5	-42.2	0	0	0	109.7
298	D	33.9	Very low	31.1	Very low	132 Å²	132	149.9 Å²	149.9	71%	0.706	76%	0.758	S	S	*	*			trans	174.1	118	134.7	-95.3	-1.4	0	0	0	112.5
299	Y	27.2	Very low	31.3	Very low	202 Å²	202	148.3 Å²	148.3	79%	0.792	76%	0.761	S	S	*	*			trans	61.5	159.6	162.4	-51.1	-68.6	0	0	0	118.4
300	D	35.1	Very low	31.3	Very low	123 Å²	123	146.9 Å²	146.9	66%	0.658	76%	0.757	S	S	*	*			cis	-146.9	163.9	-4.6	-138.3	-8.1	0	0	0	111.9	N302	D300-N302 VanDerWaalsContact C-N 3.31Å; D300-N302 PolarHBondContact O-N 3.01Å; D300-N302 VanDerWaalsContact O-N 3.11Å
301	E	35.1	Very low	31.4	Very low	183 Å²	183	141.4 Å²	141.4	86%	0.855	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-2.6	-167.1	-66.7	-170	122	0	0	117.4
302	N	40.6	Very low	31.7	Very low	132 Å²	132	144.1 Å²	144.1	71%	0.706	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-24.8	-163.7	-77.5	-66.8	0	0	0	116.8	D300 A304	D300-N302 VanDerWaalsContact C-N 3.31Å; D300-N302 PolarHBondContact O-N 3.01Å; D300-N302 VanDerWaalsContact O-N 3.11Å; N302-A304 PolarHBondContact O-N 2.96Å; N302-A304 VanDerWaalsContact O-N 3.14Å
303	D	35	Very low	31.8	Very low	123 Å²	123	145.1 Å²	145.1	66%	0.658	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-68	-17.2	-172.6	-75.9	-27.4	0	0	0	114.2	K305 L306	D303-K305 PolarHBondContact O-N 3.26Å; D303-L306 PolarHBondContact O-N 3.12Å; D303-L306 VanDerWaalsContact O-N 3.08Å
304	A	33.2	Very low	32	Very low	73 Å²	73	141 Å²	141	60%	0.603	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-57.5	-20.3	-179.8	0	0	0	0	0	114.5	N302	N302-A304 PolarHBondContact O-N 2.96Å; N302-A304 VanDerWaalsContact O-N 3.14Å
305	K	37.3	Very low	32.2	Very low	167 Å²	167	140.4 Å²	140.4	73%	0.726	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-90.7	-18.4	178.2	-78.9	179.2	176	170.5	0	115.1	D303 L307	D303-K305 PolarHBondContact O-N 3.26Å; K305-L307 VanDerWaalsContact C-N 3.34Å
306	L	31.4	Very low	32.4	Very low	127 Å²	127	139.2 Å²	139.2	67%	0.665	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-25.5	-173.9	-124.3	153.4	0	0	0	112.1	D303	D303-L306 PolarHBondContact O-N 3.12Å; D303-L306 VanDerWaalsContact O-N 3.08Å
307	L	32.5	Very low	32.5	Very low	141 Å²	141	137.4 Å²	137.4	74%	0.738	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-76.6	-19.9	177.1	-78.6	160.4	0	0	0	114.6	K305 M309	K305-L307 VanDerWaalsContact C-N 3.34Å; L307-M309 VanDerWaalsContact C-N 3.33Å
308	E	34.2	Very low	32.7	Very low	175 Å²	175	135 Å²	135	82%	0.818	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-79.3	-12.1	176.1	-72.1	-161.1	120.7	0	0	113.7
309	M	30.1	Very low	32.6	Very low	166 Å²	166	134.1 Å²	134.1	82%	0.818	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-100.9	-0.8	-173.9	-96	-176	62.1	0	0	115.7	L307 N311	L307-M309 VanDerWaalsContact C-N 3.33Å; M309-N311 PolarHBondContact O-N 3.02Å; M309-N311 VanDerWaalsContact O-N 3.14Å
310	I	29.5	Very low	33.8	Very low	129 Å²	129	127.2 Å²	127.2	66%	0.662	66%	0.656	S	S	*	*	S	Bend	trans	-73.8	109.6	176	-60.5	-177.4	0	0	0	109	F312	I310-F312 PolarHBondContact O-N 2.66Å
311	N	30	Very low	34.9	Very low	91 Å²	91	127.6 Å²	127.6	49%	0.487	66%	0.657	S	S	.	*			trans	-72.8	113	-161.9	-175.7	2	0	0	0	113.2	M309 Q313 T314	M309-N311 PolarHBondContact O-N 3.02Å; M309-N311 VanDerWaalsContact O-N 3.14Å; N311-Q313 PolarHBondContact O-N 2.99Å; N311-Q313 PolarHBondContact OD1-N 2.95Å; N311-T314 WeakPolarHBondContact O-CB 3.31Å; N311-T314 PolarHBondContact O-N 3.41Å; N311-T314 VanDerWaalsContact O-N 3.1Å; N311-T314 PolarHBondContact O-OG1 2.76Å
312	F	30.7	Very low	36.5	Very low	174 Å²	174	120 Å²	120	76%	0.763	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-30.3	176.5	-89.6	-96.7	0	0	0	114	I310 T314 F315	I310-F312 PolarHBondContact O-N 2.66Å; F312-T314 PolarHBondContact O-N 2.75Å; F312-F315 VanDerWaalsContact O-CB 3.25Å; F312-F315 WeakPolarHBondContact O-CB 3.47Å; F312-F315 PolarHBondContact O-N 2.68Å
313	Q	29.8	Very low	38	Very low	133 Å²	133	122.6 Å²	122.6	62%	0.621	63%	0.63	S	S	*	*	H	α-helix	trans	-66	-20.7	179.4	-65.8	-174.9	-53.5	0	0	113.3	N311 F315 N317	N311-Q313 PolarHBondContact O-N 2.99Å; N311-Q313 PolarHBondContact OD1-N 2.95Å; Q313-F315 VanDerWaalsContact C-N 3.29Å; Q313-N317 PolarHBondContact O-ND2 2.82Å
314	T	31	Very low	40	Very low	96 Å²	96	118.6 Å²	118.6	59%	0.589	61%	0.612	S	S	*	*	H	α-helix	trans	-73.7	-23.2	172.6	-11.3	0	0	0	0	112.2	N311 F312 S318	N311-T314 WeakPolarHBondContact O-CB 3.31Å; N311-T314 PolarHBondContact O-N 3.41Å; N311-T314 VanDerWaalsContact O-N 3.1Å; N311-T314 PolarHBondContact O-OG1 2.76Å; F312-T314 PolarHBondContact O-N 2.75Å; T314-S318 PolarHBondContact O-OG 3.14Å
315	F	33.2	Very low	42	Very low	104 Å²	104	120.3 Å²	120.3	46%	0.456	61%	0.607	S	S	.	*	H	α-helix	trans	-81.8	-28.9	-177.4	-141.6	-85.2	0	0	0	112.5	W280 F312 Q313 I320 V355	W280-F315 AromaticContact CH2-CE1 3.97Å; W280-F315 HydrophobicContact CH2-CE1 3.97Å; W280-F315 HydrophobicContact CH2-CZ 4.14Å; W280-F315 HydrophobicContact CZ3-CZ 4.42Å; F312-F315 VanDerWaalsContact O-CB 3.25Å; F312-F315 WeakPolarHBondContact O-CB 3.47Å; F312-F315 PolarHBondContact O-N 2.68Å; Q313-F315 VanDerWaalsContact C-N 3.29Å; F315-I320 HydrophobicContact CD1-CD1 4.36Å; F315-I320 HydrophobicContact CE1-CD1 4.22Å; F315-V355 HydrophobicContact CZ-CG2 4.46Å
316	E	33.2	Very low	44.1	Very low	163 Å²	163	115.3 Å²	115.3	76%	0.762	59%	0.588	S	S	*	*	H	α-helix	trans	-81.2	-20.8	178.3	-65.6	-176.8	127.4	0	0	113.8
317	N	32.7	Very low	46.4	Very low	126 Å²	126	111.3 Å²	111.3	67%	0.674	57%	0.568	S	S	*	*	S	Bend	trans	-105.1	-2.9	-169.1	-73.1	-75.2	0	0	0	115.5	Q313	Q313-N317 PolarHBondContact O-ND2 2.82Å
318	S	31.3	Very low	48.5	Very low	75 Å²	75	104.9 Å²	104.9	52%	0.524	54%	0.535	S	S	.	.	S	Bend	trans	-101.1	39.3	-175.9	54.2	0	0	0	0	114.8	T314 I320	T314-S318 PolarHBondContact O-OG 3.14Å; S318-I320 PolarHBondContact O-N 2.98Å
319	V	32.8	Very low	50.8	Low	114 Å²	114	98.7 Å²	98.7	69%	0.691	51%	0.509	S	S	*	.			trans	39.7	63.8	159.2	-164	0	0	0	0	114.5	N321	V319-N321 PolarHBondContact O-N 3.34Å
320	I	50.7	Low	53.1	Low	57 Å²	57	91.3 Å²	91.3	29%	0.292	47%	0.473	S	S	.	.			trans	-73.6	-25	-168.6	-59.8	-175.6	0	0	0	112.4	F315 S318 K348 W350	F315-I320 HydrophobicContact CD1-CD1 4.36Å; F315-I320 HydrophobicContact CE1-CD1 4.22Å; S318-I320 PolarHBondContact O-N 2.98Å; I320-K348 PolarHBondContact O-NZ 3.3Å; I320-W350 HydrophobicContact CG2-CE3 4.42Å; I320-W350 HydrophobicContact CG2-CH2 4.37Å; I320-W350 HydrophobicContact CG2-CZ3 3.6Å; I320-W350 WeakPolarHBondContact O-CH2 3.45Å; I320-W350 WeakPolarHBondContact O-CZ3 3.47Å
321	N	59.1	Low	55.5	Low	130 Å²	130	88.9 Å²	88.9	70%	0.695	46%	0.456	S	S	*	.	S	Bend	trans	-62.8	162.9	-178.7	-67.6	-5	0	0	0	114.5	V319 K348	V319-N321 PolarHBondContact O-N 3.34Å; N321-K348 PolarHBondContact O-NZ 3.35Å
322	H	69	Low	57.4	Low	25 Å²	25	85 Å²	85	12%	0.116	44%	0.436	C	S	.	.			trans	-70	151.5	160.3	-84.6	-87.6	0	0	0	110.3	S324 I326 T340 D342 T346 K348	H322-S324 VanDerWaalsContact C-N 3.29Å; H322-S324 WeakPolarHBondContact CB-O 3.47Å; H322-I326 HydrophobicContact CB-CG1 4.24Å; H322-T340 PolarHBondContact CD2-OG1 2.97Å; H322-T340 PolarHBondContact NE2-O 3.31Å; H322-D342 HydrophobicContact CB-CB 4.19Å; H322-D342 WeakPolarHBondContact CE1-CB 3.34Å; H322-D342 IonicContact CE1-OD1 3.84Å; H322-D342 PolarHBondContact CE1-OD1 2.78Å; H322-D342 CovalentContact CE1-OD2 1.76Å; H322-D342 IonicContact CE1-OD2 3.8Å; H322-D342 PolarHBondContact CE1-OD2 3.3Å; H322-D342 IonicContact CG-OD2 3.29Å; H322-D342 WeakPolarHBondContact ND1-CB 3.47Å; H322-D342 VanDerWaalsContact ND1-CG 3.34Å; H322-D342 IonicContact ND1-OD2 2.65Å; H322-D342 PolarHBondContact ND1-OD2 3.26Å; H322-D342 IonicContact NE2-OD2 2.77Å; H322-T346 PolarHBondContact NE2-O 3.41Å; H322-K348 PolarHBondContact NE2-N 3.47Å; H322-K348 VanDerWaalsContact NE2-N 3.15Å
323	Q	71.3	Confident	59.2	Low	186 Å²	186	78.9 Å²	78.9	87%	0.869	41%	0.414	S	S	*	.	S	Bend	trans	-81.5	-10.6	177.5	-69.2	-174.1	-10.2	0	0	113
324	S	76.7	Confident	60.5	Low	39 Å²	39	77.7 Å²	77.7	27%	0.273	42%	0.418	S	S	.	.	S	Bend	trans	-141.9	174.1	178.9	-161.4	0	0	0	0	111.1	H322 I326 K343 C344	H322-S324 VanDerWaalsContact C-N 3.29Å; H322-S324 WeakPolarHBondContact CB-O 3.47Å; S324-I326 PolarHBondContact O-N 3Å; S324-K343 WeakPolarHBondContact OG-CB 3.39Å; S324-C344 VanDerWaalsContact CB-SG 3.53Å
325	Q	76.2	Confident	62.1	Low	108 Å²	108	75.7 Å²	75.7	51%	0.505	40%	0.404	S	S	.	.			trans	-55.2	131.5	178.6	-174.1	178.1	5.5	0	0	110.8	T327 D342 K343	Q325-T327 PolarHBondContact O-N 2.77Å; Q325-D342 VanDerWaalsContact O-CA 3.28Å; Q325-D342 WeakPolarHBondContact O-CA 3.48Å; Q325-D342 WeakPolarHBondContact O-CB 3.42Å; Q325-K343 PolarHBondContact O-N 3.23Å
326	I	81.5	Confident	63.8	Low	63 Å²	63	72.2 Å²	72.2	32%	0.323	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.3	172.5	-59.1	175.5	0	0	0	108	H322 S324 A328 V329 T340 G341	H322-I326 HydrophobicContact CB-CG1 4.24Å; S324-I326 PolarHBondContact O-N 3Å; I326-A328 WeakPolarHBondContact CG2-O 3.37Å; I326-V329 HydrophobicContact CG2-CG2 3.68Å; I326-T340 HydrophobicContact CD1-CG2 4.35Å; I326-T340 HydrophobicContact CG2-CG2 4.33Å; I326-G341 CarbonylContact C-O 3.58Å; I326-G341 WeakPolarHBondContact CA-O 3.29Å
327	T	79.6	Confident	65.7	Low	42 Å²	42	65 Å²	65	26%	0.258	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-26.3	-175.6	48.8	0	0	0	0	112.3	Q325 G341 K343 E366 I367	Q325-T327 PolarHBondContact O-N 2.77Å; T327-G341 PolarHBondContact N-O 2.81Å; T327-G341 PolarHBondContact OG1-O 2.9Å; T327-K343 HydrophobicContact CG2-CB 4.2Å; T327-K343 HydrophobicContact CG2-CG 4.48Å; T327-E366 HydrophobicContact CG2-CG 3.88Å; T327-I367 VanDerWaalsContact CB-O 3.27Å; T327-I367 WeakPolarHBondContact CB-O 3.15Å; T327-I367 PolarHBondContact OG1-O 3.2Å
328	A	76.6	Confident	68	Low	6 Å²	6	60.6 Å²	60.6	5%	0.05	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.9	174.7	0	0	0	0	0	112.6	I326 T340 G341 I367 F370	I326-A328 WeakPolarHBondContact CG2-O 3.37Å; A328-T340 WeakPolarHBondContact O-CA 3.31Å; A328-G341 PolarHBondContact N-O 3.25Å; A328-G341 VanDerWaalsContact N-O 3.11Å; A328-G341 PolarHBondContact O-N 3.1Å; A328-I367 HydrophobicContact CB-CB 4.3Å; A328-I367 HydrophobicContact CB-CG2 3.69Å; A328-F370 HydrophobicContact CB-CD2 3.48Å; A328-F370 VanDerWaalsContact CB-CD2 3.48Å; A328-F370 HydrophobicContact CB-CE2 3.6Å; A328-F370 HydrophobicContact CB-CG 4.3Å; A328-F370 HydrophobicContact CB-CZ 4.5Å; A328-F370 WeakPolarHBondContact O-CE2 3.09Å
329	V	81.9	Confident	70.5	Confident	45 Å²	45	57 Å²	57	27%	0.273	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	128.6	177.2	-172.6	0	0	0	0	111.6	I326 L338 I339 T340 I729	I326-V329 HydrophobicContact CG2-CG2 3.68Å; V329-L338 HydrophobicContact CG1-CD1 3.66Å; V329-I339 WeakPolarHBondContact CA-O 3.44Å; V329-T340 HydrophobicContact CG1-CG2 4.18Å; V329-T340 HydrophobicContact CG2-CG2 4.21Å; V329-I729 HydrophobicContact CG2-CD1 4.2Å
330	L	79.4	Confident	73.1	Confident	11 Å²	11	52 Å²	52	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.5	174.4	172.4	66.9	0	0	0	110.8	I332 I339 F370 A372 F390	L330-I332 HydrophobicContact CD2-CG1 4.35Å; L330-I332 HydrophobicContact CG-CG1 4.39Å; L330-I339 HydrophobicContact CB-CB 4.33Å; L330-I339 HydrophobicContact CD2-CD1 4.24Å; L330-I339 PolarHBondContact N-O 3.08Å; L330-I339 PolarHBondContact O-N 2.91Å; L330-F370 HydrophobicContact CB-CB 3.56Å; L330-F370 HydrophobicContact CB-CD2 4.17Å; L330-F370 HydrophobicContact CB-CG 4.15Å; L330-F370 HydrophobicContact CD2-CB 3.92Å; L330-F370 HydrophobicContact CG-CB 4.32Å; L330-A372 HydrophobicContact CD1-CB 4.02Å; L330-A372 HydrophobicContact CD2-CB 4.05Å; L330-F390 HydrophobicContact CD2-CB 3.81Å; L330-F390 HydrophobicContact CD2-CG 4.47Å
331	Y	79.5	Confident	74.8	Confident	78 Å²	78	49.2 Å²	49.2	31%	0.306	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.3	174.3	-177.7	-106.9	0	0	0	110.7	S333 N336 I337 L338 T352	Y331-S333 VanDerWaalsContact CE1-CA 3.48Å; Y331-S333 PolarHBondContact O-N 3.31Å; Y331-N336 PolarHBondContact OH-OD1 2.93Å; Y331-I337 WeakPolarHBondContact CD2-O 3.34Å; Y331-L338 HydrophobicContact CD2-CB 4.23Å; Y331-L338 HydrophobicContact CD2-CD1 4.26Å; Y331-T352 HydrophobicContact CE2-CG2 3.84Å; Y331-T352 WeakPolarHBondContact OH-CG2 3.49Å
332	I	69.7	Low	76.1	Confident	10 Å²	10	43 Å²	43	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	85.3	176.7	-58.2	-176.5	0	0	0	108.1	L330 P334 L335 N336 I337 I339 P388 F390 F404	L330-I332 HydrophobicContact CD2-CG1 4.35Å; L330-I332 HydrophobicContact CG-CG1 4.39Å; I332-P334 VanDerWaalsContact C-CD 3.42Å; I332-P334 VanDerWaalsContact C-N 3.33Å; I332-L335 HydrophobicContact CG2-CB 4.19Å; I332-L335 HydrophobicContact CG2-CD1 4.16Å; I332-L335 HydrophobicContact CG2-CG 4.01Å; I332-L335 PolarHBondContact O-N 3.22Å; I332-N336 PolarHBondContact O-N 2.86Å; I332-N336 VanDerWaalsContact O-N 3.17Å; I332-I337 PolarHBondContact N-O 3.01Å; I332-I337 PolarHBondContact O-N 3.4Å; I332-I339 HydrophobicContact CD1-CD1 3.54Å; I332-I339 HydrophobicContact CG1-CD1 4.04Å; I332-P388 HydrophobicContact CG2-CB 4.33Å; I332-F390 HydrophobicContact CD1-CB 4.37Å; I332-F390 HydrophobicContact CD1-CD1 4.3Å; I332-F404 HydrophobicContact CD1-CE2 3.64Å; I332-F404 HydrophobicContact CD1-CZ 4.15Å
333	S	67.4	Low	76.9	Confident	45 Å²	45	47 Å²	47	32%	0.315	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.2	-176.6	-160.5	0	0	0	0	115.5	Y331 L335 N336	Y331-S333 VanDerWaalsContact CE1-CA 3.48Å; Y331-S333 PolarHBondContact O-N 3.31Å; S333-L335 VanDerWaalsContact C-N 3.26Å; S333-L335 PolarHBondContact O-N 3.4Å; S333-N336 PolarHBondContact O-N 2.75Å; S333-N336 PolarHBondContact O-OD1 3.44Å
334	P	57.7	Low	77.4	Confident	109 Å²	109	41.7 Å²	41.7	71%	0.708	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.8	176.4	-25	36.2	0	0	0	115.1	I332	I332-P334 VanDerWaalsContact C-CD 3.42Å; I332-P334 VanDerWaalsContact C-N 3.33Å
335	L	64.6	Low	77.7	Confident	54 Å²	54	39.9 Å²	39.9	28%	0.283	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-7.8	177.1	-62.8	-176.5	0	0	0	113.1	I332 S333 I337 P388 F404	I332-L335 HydrophobicContact CG2-CB 4.19Å; I332-L335 HydrophobicContact CG2-CD1 4.16Å; I332-L335 HydrophobicContact CG2-CG 4.01Å; I332-L335 PolarHBondContact O-N 3.22Å; S333-L335 VanDerWaalsContact C-N 3.26Å; S333-L335 PolarHBondContact O-N 3.4Å; L335-I337 VanDerWaalsContact C-N 3.27Å; L335-I337 HydrophobicContact CB-CB 4.14Å; L335-I337 HydrophobicContact CB-CD1 3.74Å; L335-I337 HydrophobicContact CB-CG1 3.73Å; L335-I337 HydrophobicContact CD1-CD1 3.86Å; L335-I337 HydrophobicContact CG-CD1 4.45Å; L335-I337 PolarHBondContact O-N 2.94Å; L335-P388 HydrophobicContact CD1-CB 3.98Å; L335-P388 HydrophobicContact CD1-CG 3.74Å; L335-P388 HydrophobicContact CD2-CG 3.98Å; L335-P388 HydrophobicContact CG-CB 4.47Å; L335-P388 HydrophobicContact CG-CG 3.84Å; L335-F404 HydrophobicContact CD1-CB 4.41Å; L335-F404 HydrophobicContact CD1-CD1 3.86Å; L335-F404 HydrophobicContact CD1-CD2 3.91Å; L335-F404 HydrophobicContact CD1-CE1 4.05Å; L335-F404 HydrophobicContact CD1-CE2 4.09Å; L335-F404 HydrophobicContact CD1-CG 3.8Å; L335-F404 HydrophobicContact CD1-CZ 4.16Å
336	N	69.7	Low	78.2	Confident	31 Å²	31	35.9 Å²	35.9	17%	0.166	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	45.9	-164	-75.3	-17.3	0	0	0	112.4	M284 Y331 I332 S333 N351 T352	M284-N336 HydrophobicContact CE-CB 4.1Å; M284-N336 PolarHBondContact O-ND2 3.14Å; M284-N336 HydrophobicContact SD-CB 3.9Å; M284-N336 PolarHBondContact SD-ND2 3.26Å; Y331-N336 PolarHBondContact OH-OD1 2.93Å; I332-N336 PolarHBondContact O-N 2.86Å; I332-N336 VanDerWaalsContact O-N 3.17Å; S333-N336 PolarHBondContact O-N 2.75Å; S333-N336 PolarHBondContact O-OD1 3.44Å; N336-N351 CarbonylContact O-C 3.6Å; N336-N351 WeakPolarHBondContact O-CA 3.29Å; N336-T352 HydrophobicContact CB-CG2 3.71Å; N336-T352 PolarHBondContact O-N 2.79Å
337	I	73.2	Confident	78.5	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.056	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125	179.8	-65.6	179.3	0	0	0	111.2	Y331 I332 L335 I339 W350 L357 F404	Y331-I337 WeakPolarHBondContact CD2-O 3.34Å; I332-I337 PolarHBondContact N-O 3.01Å; I332-I337 PolarHBondContact O-N 3.4Å; L335-I337 VanDerWaalsContact C-N 3.27Å; L335-I337 HydrophobicContact CB-CB 4.14Å; L335-I337 HydrophobicContact CB-CD1 3.74Å; L335-I337 HydrophobicContact CB-CG1 3.73Å; L335-I337 HydrophobicContact CD1-CD1 3.86Å; L335-I337 HydrophobicContact CG-CD1 4.45Å; L335-I337 PolarHBondContact O-N 2.94Å; I337-I339 HydrophobicContact CG2-CG1 4.12Å; I337-W350 CarbonylContact C-O 3.36Å; I337-W350 VanDerWaalsContact CA-O 3.23Å; I337-W350 WeakPolarHBondContact CA-O 3.4Å; I337-W350 WeakPolarHBondContact CG2-O 3.21Å; I337-L357 HydrophobicContact CD1-CD1 3.55Å; I337-L357 HydrophobicContact CG1-CD1 3.7Å; I337-L357 HydrophobicContact CG2-CD1 4.3Å; I337-F404 HydrophobicContact CD1-CD1 4.03Å; I337-F404 HydrophobicContact CD1-CE1 3.38Å; I337-F404 HydrophobicContact CD1-CZ 4.04Å; I337-F404 HydrophobicContact CG2-CE1 4.2Å; I337-F404 HydrophobicContact CG2-CZ 4Å
338	L	80.7	Confident	78.8	Confident	33 Å²	33	31.5 Å²	31.5	17%	0.173	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	145	167.3	-175.7	68.1	0	0	0	109.4	V329 Y331 T340 T349 W350	V329-L338 HydrophobicContact CG1-CD1 3.66Å; Y331-L338 HydrophobicContact CD2-CB 4.23Å; Y331-L338 HydrophobicContact CD2-CD1 4.26Å; L338-T340 HydrophobicContact CD2-CG2 4.29Å; L338-T340 HydrophobicContact CG-CG2 4.24Å; L338-T349 CarbonylContact O-C 3.24Å; L338-T349 WeakPolarHBondContact O-CA 3.37Å; L338-W350 HydrophobicContact CB-CB 4.36Å; L338-W350 HydrophobicContact CB-CG 4.48Å; L338-W350 PolarHBondContact N-O 2.8Å; L338-W350 PolarHBondContact O-N 3.49Å
339	I	83.7	Confident	79.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.5	177.9	-56.4	177.3	0	0	0	106.9	V329 L330 I332 I337 I347 K348 T349 F370 F390 F404	V329-I339 WeakPolarHBondContact CA-O 3.44Å; L330-I339 HydrophobicContact CB-CB 4.33Å; L330-I339 HydrophobicContact CD2-CD1 4.24Å; L330-I339 PolarHBondContact N-O 3.08Å; L330-I339 PolarHBondContact O-N 2.91Å; I332-I339 HydrophobicContact CD1-CD1 3.54Å; I332-I339 HydrophobicContact CG1-CD1 4.04Å; I337-I339 HydrophobicContact CG2-CG1 4.12Å; I339-I347 HydrophobicContact CG2-CG2 3.86Å; I339-K348 WeakPolarHBondContact CA-O 3.15Å; I339-T349 HydrophobicContact CB-CG2 4.44Å; I339-T349 HydrophobicContact CD1-CG2 4.49Å; I339-T349 HydrophobicContact CG1-CG2 3.9Å; I339-T349 HydrophobicContact CG2-CG2 4.2Å; I339-F370 HydrophobicContact CG2-CD1 4.2Å; I339-F370 HydrophobicContact CG2-CD2 4.32Å; I339-F370 HydrophobicContact CG2-CE1 3.82Å; I339-F370 HydrophobicContact CG2-CE2 3.94Å; I339-F370 HydrophobicContact CG2-CG 4.45Å; I339-F370 HydrophobicContact CG2-CZ 3.67Å; I339-F390 HydrophobicContact CD1-CB 4.37Å; I339-F390 HydrophobicContact CD1-CD1 3.51Å; I339-F390 HydrophobicContact CD1-CD2 3.94Å; I339-F390 HydrophobicContact CD1-CE1 3.58Å; I339-F390 HydrophobicContact CD1-CE2 4.02Å; I339-F390 HydrophobicContact CD1-CG 3.68Å; I339-F390 HydrophobicContact CD1-CZ 3.84Å; I339-F390 HydrophobicContact CG2-CD2 4.33Å; I339-F390 HydrophobicContact CG2-CE2 3.83Å; I339-F390 HydrophobicContact CG2-CZ 4.14Å; I339-F404 HydrophobicContact CD1-CZ 4.37Å
340	T	87.3	Confident	79	Confident	8 Å²	8	30.2 Å²	30.2	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.7	179.8	52.8	0	0	0	0	109.9	H322 I326 A328 V329 L338 I347 K348 W350	H322-T340 PolarHBondContact CD2-OG1 2.97Å; H322-T340 PolarHBondContact NE2-O 3.31Å; I326-T340 HydrophobicContact CD1-CG2 4.35Å; I326-T340 HydrophobicContact CG2-CG2 4.33Å; A328-T340 WeakPolarHBondContact O-CA 3.31Å; V329-T340 HydrophobicContact CG1-CG2 4.18Å; V329-T340 HydrophobicContact CG2-CG2 4.21Å; L338-T340 HydrophobicContact CD2-CG2 4.29Å; L338-T340 HydrophobicContact CG-CG2 4.24Å; T340-I347 CarbonylContact O-C 3.5Å; T340-I347 WeakPolarHBondContact O-CA 3.22Å; T340-K348 PolarHBondContact N-O 3Å; T340-K348 PolarHBondContact O-N 3.12Å; T340-W350 WeakPolarHBondContact OG1-CZ2 3.35Å; T340-W350 PolarHBondContact OG1-NE1 3.1Å
341	G	85.9	Confident	78.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135	-175.5	0	0	0	0	0	109.1	I326 T327 A328 T346 F370	I326-G341 CarbonylContact C-O 3.58Å; I326-G341 WeakPolarHBondContact CA-O 3.29Å; T327-G341 PolarHBondContact N-O 2.81Å; T327-G341 PolarHBondContact OG1-O 2.9Å; A328-G341 PolarHBondContact N-O 3.25Å; A328-G341 VanDerWaalsContact N-O 3.11Å; A328-G341 PolarHBondContact O-N 3.1Å; G341-T346 WeakPolarHBondContact CA-O 3.38Å; G341-F370 VanDerWaalsContact N-CE2 3.33Å
342	D	87	Confident	78	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	172.1	-176	68.5	27.4	0	0	0	114.4	H322 Q325 C344 G345 T346 I367	H322-D342 HydrophobicContact CB-CB 4.19Å; H322-D342 WeakPolarHBondContact CE1-CB 3.34Å; H322-D342 IonicContact CE1-OD1 3.84Å; H322-D342 PolarHBondContact CE1-OD1 2.78Å; H322-D342 CovalentContact CE1-OD2 1.76Å; H322-D342 IonicContact CE1-OD2 3.8Å; H322-D342 PolarHBondContact CE1-OD2 3.3Å; H322-D342 IonicContact CG-OD2 3.29Å; H322-D342 WeakPolarHBondContact ND1-CB 3.47Å; H322-D342 VanDerWaalsContact ND1-CG 3.34Å; H322-D342 IonicContact ND1-OD2 2.65Å; H322-D342 PolarHBondContact ND1-OD2 3.26Å; H322-D342 IonicContact NE2-OD2 2.77Å; Q325-D342 VanDerWaalsContact O-CA 3.28Å; Q325-D342 WeakPolarHBondContact O-CA 3.48Å; Q325-D342 WeakPolarHBondContact O-CB 3.42Å; D342-C344 PolarHBondContact O-N 2.97Å; D342-C344 VanDerWaalsContact O-N 3.09Å; D342-C344 WeakPolarHBondContact OD1-CA 3.46Å; D342-C344 WeakPolarHBondContact OD1-CB 3.34Å; D342-C344 PolarHBondContact OD1-N 3.34Å; D342-G345 PolarHBondContact O-N 2.88Å; D342-G345 VanDerWaalsContact O-N 3.09Å; D342-G345 PolarHBondContact OD1-N 3.04Å; D342-T346 PolarHBondContact N-O 3.07Å; D342-T346 VanDerWaalsContact OD1-CB 3.31Å; D342-T346 WeakPolarHBondContact OD1-CB 3.17Å; D342-T346 PolarHBondContact OD1-N 3.17Å; D342-T346 PolarHBondContact OD1-OG1 3.36Å; D342-T346 VanDerWaalsContact OD2-CB 3.29Å; D342-T346 WeakPolarHBondContact OD2-CB 3.49Å; D342-T346 PolarHBondContact OD2-OG1 3.23Å; D342-I367 PolarHBondContact O-N 3.46Å; D342-I367 VanDerWaalsContact O-N 3.13Å
343	K	84.9	Confident	77.6	Confident	107 Å²	107	29.1 Å²	29.1	47%	0.465	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.2	176.4	-152.9	179.1	-178.2	174.6	0	114.6	S324 Q325 T327 E366	S324-K343 WeakPolarHBondContact OG-CB 3.39Å; Q325-K343 PolarHBondContact O-N 3.23Å; T327-K343 HydrophobicContact CG2-CB 4.2Å; T327-K343 HydrophobicContact CG2-CG 4.48Å; K343-E366 HydrophobicContact CB-CG 4.42Å; K343-E366 WeakPolarHBondContact CE-OE2 3.48Å; K343-E366 HydrophobicContact CG-CB 3.93Å; K343-E366 HydrophobicContact CG-CG 3.91Å; K343-E366 WeakPolarHBondContact CG-OE2 3.36Å; K343-E366 WeakPolarHBondContact O-CA 3.34Å; K343-E366 PolarHBondContact O-N 3.21Å
344	C	82.7	Confident	77.3	Confident	75 Å²	75	32 Å²	32	51%	0.507	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.4	177.8	-66.3	0	0	0	0	113.2	S324 D342 T346	S324-C344 VanDerWaalsContact CB-SG 3.53Å; D342-C344 PolarHBondContact O-N 2.97Å; D342-C344 VanDerWaalsContact O-N 3.09Å; D342-C344 WeakPolarHBondContact OD1-CA 3.46Å; D342-C344 WeakPolarHBondContact OD1-CB 3.34Å; D342-C344 PolarHBondContact OD1-N 3.34Å; C344-T346 VanDerWaalsContact C-N 3.28Å
345	G	83.2	Confident	77.8	Confident	2 Å²	2	29.7 Å²	29.7	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	81.8	6	-178.4	0	0	0	0	0	114.1	D342 G365	D342-G345 PolarHBondContact O-N 2.88Å; D342-G345 VanDerWaalsContact O-N 3.09Å; D342-G345 PolarHBondContact OD1-N 3.04Å; G345-G365 WeakPolarHBondContact CA-O 3.31Å; G345-G365 PolarHBondContact N-O 2.71Å
346	T	85.6	Confident	78.3	Confident	23 Å²	23	30.3 Å²	30.3	14%	0.141	16%	0.158	C	C	.	.			trans	-81.2	126.7	179.3	-24.3	0	0	0	0	109.7	H322 G341 D342 C344 I359	H322-T346 PolarHBondContact NE2-O 3.41Å; G341-T346 WeakPolarHBondContact CA-O 3.38Å; D342-T346 PolarHBondContact N-O 3.07Å; D342-T346 VanDerWaalsContact OD1-CB 3.31Å; D342-T346 WeakPolarHBondContact OD1-CB 3.17Å; D342-T346 PolarHBondContact OD1-N 3.17Å; D342-T346 PolarHBondContact OD1-OG1 3.36Å; D342-T346 VanDerWaalsContact OD2-CB 3.29Å; D342-T346 WeakPolarHBondContact OD2-CB 3.49Å; D342-T346 PolarHBondContact OD2-OG1 3.23Å; C344-T346 VanDerWaalsContact C-N 3.28Å; T346-I359 HydrophobicContact CG2-CG2 3.68Å
347	I	87.3	Confident	78.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	173.2	-60.9	164.1	0	0	0	107.8	I339 T340 L360 I367 F370 F390 W402	I339-I347 HydrophobicContact CG2-CG2 3.86Å; T340-I347 CarbonylContact O-C 3.5Å; T340-I347 WeakPolarHBondContact O-CA 3.22Å; I347-L360 HydrophobicContact CB-CB 4.01Å; I347-L360 WeakPolarHBondContact CB-O 3.38Å; I347-L360 HydrophobicContact CG2-CB 4.24Å; I347-L360 HydrophobicContact CG2-CD1 4.25Å; I347-L360 PolarHBondContact N-O 2.65Å; I347-L360 PolarHBondContact O-N 2.83Å; I347-I367 HydrophobicContact CD1-CD1 4.14Å; I347-I367 HydrophobicContact CG1-CD1 3.95Å; I347-I367 HydrophobicContact CG1-CG1 4.04Å; I347-F370 HydrophobicContact CB-CE1 4.44Å; I347-F370 HydrophobicContact CB-CZ 4.33Å; I347-F370 HydrophobicContact CD1-CE1 3.89Å; I347-F370 HydrophobicContact CD1-CZ 4.47Å; I347-F370 HydrophobicContact CG1-CE1 3.8Å; I347-F370 HydrophobicContact CG1-CZ 3.87Å; I347-F370 HydrophobicContact CG2-CE1 3.84Å; I347-F370 HydrophobicContact CG2-CZ 3.8Å; I347-F390 HydrophobicContact CG2-CE2 4.25Å; I347-F390 HydrophobicContact CG2-CZ 4.42Å; I347-W402 HydrophobicContact CD1-CZ2 3.84Å
348	K	86.8	Confident	78.8	Confident	13 Å²	13	32.4 Å²	32.4	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.4	172.6	-68.1	-170.5	172.6	-156	0	110.1	I320 N321 H322 I339 T340 W350 Q356 I359	I320-K348 PolarHBondContact O-NZ 3.3Å; N321-K348 PolarHBondContact O-NZ 3.35Å; H322-K348 PolarHBondContact NE2-N 3.47Å; H322-K348 VanDerWaalsContact NE2-N 3.15Å; I339-K348 WeakPolarHBondContact CA-O 3.15Å; T340-K348 PolarHBondContact N-O 3Å; T340-K348 PolarHBondContact O-N 3.12Å; K348-W350 HydrophobicContact CB-CH2 3.92Å; K348-W350 HydrophobicContact CB-CZ2 3.39Å; K348-W350 HydrophobicContact CD-CH2 3.32Å; K348-W350 HydrophobicContact CD-CZ2 3.58Å; K348-W350 HydrophobicContact CD-CZ3 4.23Å; K348-W350 HydrophobicContact CG-CH2 4.27Å; K348-W350 HydrophobicContact CG-CZ2 4.13Å; K348-Q356 VanDerWaalsContact CE-OE1 3.25Å; K348-I359 HydrophobicContact CG-CG1 4.24Å; K348-I359 HydrophobicContact CG-CG2 4.14Å
349	T	83.4	Confident	78.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.2	174.2	69.7	0	0	0	0	110.9	L338 I339 Q356 L357 S358 L360 F390 I436	L338-T349 CarbonylContact O-C 3.24Å; L338-T349 WeakPolarHBondContact O-CA 3.37Å; I339-T349 HydrophobicContact CB-CG2 4.44Å; I339-T349 HydrophobicContact CD1-CG2 4.49Å; I339-T349 HydrophobicContact CG1-CG2 3.9Å; I339-T349 HydrophobicContact CG2-CG2 4.2Å; T349-Q356 CarbonylContact O-C 3.27Å; T349-Q356 WeakPolarHBondContact O-CA 3.31Å; T349-L357 PolarHBondContact O-N 3.03Å; T349-S358 PolarHBondContact N-O 2.99Å; T349-S358 PolarHBondContact OG1-N 2.95Å; T349-S358 PolarHBondContact OG1-OG 3.28Å; T349-L360 HydrophobicContact CG2-CD1 4.14Å; T349-F390 HydrophobicContact CG2-CZ 4.39Å; T349-I436 HydrophobicContact CG2-CD1 3.56Å; T349-I436 WeakPolarHBondContact OG1-CD1 3.46Å
350	W	79.7	Confident	78.7	Confident	24 Å²	24	34.6 Å²	34.6	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.2	-172.3	-27.2	81.9	0	0	0	109.4	I320 I337 L338 T340 K348 V355 Q356	I320-W350 HydrophobicContact CG2-CE3 4.42Å; I320-W350 HydrophobicContact CG2-CH2 4.37Å; I320-W350 HydrophobicContact CG2-CZ3 3.6Å; I320-W350 WeakPolarHBondContact O-CH2 3.45Å; I320-W350 WeakPolarHBondContact O-CZ3 3.47Å; I337-W350 CarbonylContact C-O 3.36Å; I337-W350 VanDerWaalsContact CA-O 3.23Å; I337-W350 WeakPolarHBondContact CA-O 3.4Å; I337-W350 WeakPolarHBondContact CG2-O 3.21Å; L338-W350 HydrophobicContact CB-CB 4.36Å; L338-W350 HydrophobicContact CB-CG 4.48Å; L338-W350 PolarHBondContact N-O 2.8Å; L338-W350 PolarHBondContact O-N 3.49Å; T340-W350 WeakPolarHBondContact OG1-CZ2 3.35Å; T340-W350 PolarHBondContact OG1-NE1 3.1Å; K348-W350 HydrophobicContact CB-CH2 3.92Å; K348-W350 HydrophobicContact CB-CZ2 3.39Å; K348-W350 HydrophobicContact CD-CH2 3.32Å; K348-W350 HydrophobicContact CD-CZ2 3.58Å; K348-W350 HydrophobicContact CD-CZ3 4.23Å; K348-W350 HydrophobicContact CG-CH2 4.27Å; K348-W350 HydrophobicContact CG-CZ2 4.13Å; W350-V355 VanDerWaalsContact CA-O 3.29Å; W350-V355 WeakPolarHBondContact CA-O 3.23Å; W350-Q356 HydrophobicContact CE3-CB 3.76Å; W350-Q356 HydrophobicContact CE3-CG 4.09Å; W350-Q356 HydrophobicContact CZ3-CB 3.76Å; W350-Q356 HydrophobicContact CZ3-CG 3.88Å
351	N	74.4	Confident	78.4	Confident	31 Å²	31	40.6 Å²	40.6	17%	0.166	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	175.2	161.5	62.1	-4.9	0	0	0	110.4	M284 N336 D353 Q354 V355 L357	M284-N351 HydrophobicContact CE-CB 4.49Å; N336-N351 CarbonylContact O-C 3.6Å; N336-N351 WeakPolarHBondContact O-CA 3.29Å; N351-D353 PolarHBondContact ND2-OD2 2.77Å; N351-D353 PolarHBondContact O-N 3.21Å; N351-D353 PolarHBondContact OD1-N 3.36Å; N351-D353 PolarHBondContact OD1-O 3.44Å; N351-Q354 WeakPolarHBondContact O-CA 3.41Å; N351-Q354 PolarHBondContact O-N 2.81Å; N351-Q354 PolarHBondContact OD1-N 3.28Å; N351-Q354 VanDerWaalsContact OD1-N 3.14Å; N351-V355 PolarHBondContact N-O 2.75Å; N351-V355 WeakPolarHBondContact OD1-CA 3.42Å; N351-V355 WeakPolarHBondContact OD1-CB 3.35Å; N351-V355 PolarHBondContact OD1-N 2.75Å; N351-V355 PolarHBondContact OD1-O 2.78Å; N351-L357 HydrophobicContact CB-CD1 4.18Å; N351-L357 HydrophobicContact CB-CD2 4.33Å; N351-L357 HydrophobicContact CB-CG 4.42Å
352	T	63.8	Low	77.5	Confident	25 Å²	25	41.8 Å²	41.8	15%	0.153	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.6	171.5	40.8	0	0	0	0	113.1	M284 Y331 N336 Q354	M284-T352 VanDerWaalsContact CE-OG1 3.31Å; M284-T352 WeakPolarHBondContact CE-OG1 2.92Å; M284-T352 WeakPolarHBondContact CG-OG1 3.39Å; M284-T352 PolarHBondContact SD-OG1 2.69Å; Y331-T352 HydrophobicContact CE2-CG2 3.84Å; Y331-T352 WeakPolarHBondContact OH-CG2 3.49Å; N336-T352 HydrophobicContact CB-CG2 3.71Å; N336-T352 PolarHBondContact O-N 2.79Å; T352-Q354 PolarHBondContact O-N 3.19Å
353	D	60.5	Low	77.2	Confident	21 Å²	21	42.3 Å²	42.3	11%	0.112	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	23.1	170.3	-38	-73.1	0	0	0	112	W280 M284 N351 V355	W280-D353 HydrophobicContact CB-CB 4.34Å; W280-D353 HydrophobicContact CD2-CB 4.24Å; W280-D353 HydrophobicContact CE3-CB 3.86Å; W280-D353 WeakPolarHBondContact CH2-O 3.4Å; W280-D353 WeakPolarHBondContact CZ2-O 3.08Å; W280-D353 HydrophobicContact CZ3-CB 4.47Å; W280-D353 WeakPolarHBondContact CZ3-O 3.42Å; M284-D353 VanDerWaalsContact CE-OD2 3.23Å; M284-D353 WeakPolarHBondContact CE-OD2 3.49Å; N351-D353 PolarHBondContact ND2-OD2 2.77Å; N351-D353 PolarHBondContact O-N 3.21Å; N351-D353 PolarHBondContact OD1-N 3.36Å; N351-D353 PolarHBondContact OD1-O 3.44Å; D353-V355 WeakPolarHBondContact O-CG2 3.23Å; D353-V355 PolarHBondContact O-N 2.66Å
354	Q	61.5	Low	76.7	Confident	105 Å²	105	44.8 Å²	44.8	49%	0.491	24%	0.242	S	C	.	.			trans	43.2	15.1	177.2	-52.3	175	-27.2	0	0	117.6	W280 N351 T352 Q356	W280-Q354 HydrophobicContact CH2-CB 4.41Å; W280-Q354 HydrophobicContact CZ2-CB 3.61Å; W280-Q354 HydrophobicContact CZ2-CG 4.29Å; W280-Q354 VanDerWaalsContact NE1-CD 3.26Å; N351-Q354 WeakPolarHBondContact O-CA 3.41Å; N351-Q354 PolarHBondContact O-N 2.81Å; N351-Q354 PolarHBondContact OD1-N 3.28Å; N351-Q354 VanDerWaalsContact OD1-N 3.14Å; T352-Q354 PolarHBondContact O-N 3.19Å; Q354-Q356 PolarHBondContact O-N 3.42Å
355	V	67.9	Low	76.3	Confident	61 Å²	61	42 Å²	42	37%	0.37	23%	0.225	S	C	.	.			trans	-67.4	122	169.9	-175.6	0	0	0	0	107.4	F315 W350 N351 D353 L357	F315-V355 HydrophobicContact CZ-CG2 4.46Å; W350-V355 VanDerWaalsContact CA-O 3.29Å; W350-V355 WeakPolarHBondContact CA-O 3.23Å; N351-V355 PolarHBondContact N-O 2.75Å; N351-V355 WeakPolarHBondContact OD1-CA 3.42Å; N351-V355 WeakPolarHBondContact OD1-CB 3.35Å; N351-V355 PolarHBondContact OD1-N 2.75Å; N351-V355 PolarHBondContact OD1-O 2.78Å; D353-V355 WeakPolarHBondContact O-CG2 3.23Å; D353-V355 PolarHBondContact O-N 2.66Å; V355-L357 PolarHBondContact O-N 3.38Å
356	Q	75.7	Confident	76.2	Confident	66 Å²	66	43.7 Å²	43.7	31%	0.308	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	103.8	176.7	-170.6	-168.9	-105.8	0	0	109.7	K348 T349 W350 Q354 I359	K348-Q356 VanDerWaalsContact CE-OE1 3.25Å; T349-Q356 CarbonylContact O-C 3.27Å; T349-Q356 WeakPolarHBondContact O-CA 3.31Å; W350-Q356 HydrophobicContact CE3-CB 3.76Å; W350-Q356 HydrophobicContact CE3-CG 4.09Å; W350-Q356 HydrophobicContact CZ3-CB 3.76Å; W350-Q356 HydrophobicContact CZ3-CG 3.88Å; Q354-Q356 PolarHBondContact O-N 3.42Å; Q356-I359 HydrophobicContact CG-CG1 4.27Å
357	L	74.5	Confident	75.9	Confident	63 Å²	63	42.6 Å²	42.6	33%	0.33	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-35.7	-178.5	-61.9	176.5	0	0	0	111.8	I337 T349 N351 V355	I337-L357 HydrophobicContact CD1-CD1 3.55Å; I337-L357 HydrophobicContact CG1-CD1 3.7Å; I337-L357 HydrophobicContact CG2-CD1 4.3Å; T349-L357 PolarHBondContact O-N 3.03Å; N351-L357 HydrophobicContact CB-CD1 4.18Å; N351-L357 HydrophobicContact CB-CD2 4.33Å; N351-L357 HydrophobicContact CB-CG 4.42Å; V355-L357 PolarHBondContact O-N 3.38Å
358	S	78.6	Confident	75.4	Confident	23 Å²	23	43.8 Å²	43.8	16%	0.161	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	157.6	174.1	67.4	0	0	0	0	112.1	T349 I436	T349-S358 PolarHBondContact N-O 2.99Å; T349-S358 PolarHBondContact OG1-N 2.95Å; T349-S358 PolarHBondContact OG1-OG 3.28Å; S358-I436 WeakPolarHBondContact OG-CD1 3.43Å
359	I	82.6	Confident	74.8	Confident	64 Å²	64	46 Å²	46	33%	0.328	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124	161.6	-47	-179.6	0	0	0	107.5	T346 K348 Q356 H361	T346-I359 HydrophobicContact CG2-CG2 3.68Å; K348-I359 HydrophobicContact CG-CG1 4.24Å; K348-I359 HydrophobicContact CG-CG2 4.14Å; Q356-I359 HydrophobicContact CG-CG1 4.27Å; I359-H361 WeakPolarHBondContact CG2-CE1 3.47Å
360	L	80.5	Confident	74.6	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.079	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.3	-178.3	-62.1	169.8	0	0	0	108	I347 T349 F390 W402 I436	I347-L360 HydrophobicContact CB-CB 4.01Å; I347-L360 WeakPolarHBondContact CB-O 3.38Å; I347-L360 HydrophobicContact CG2-CB 4.24Å; I347-L360 HydrophobicContact CG2-CD1 4.25Å; I347-L360 PolarHBondContact N-O 2.65Å; I347-L360 PolarHBondContact O-N 2.83Å; T349-L360 HydrophobicContact CG2-CD1 4.14Å; L360-F390 HydrophobicContact CD1-CE1 4.45Å; L360-F390 HydrophobicContact CD1-CZ 3.73Å; L360-W402 HydrophobicContact CB-CE3 4.2Å; L360-W402 HydrophobicContact CB-CH2 3.96Å; L360-W402 HydrophobicContact CB-CZ2 4.38Å; L360-W402 HydrophobicContact CB-CZ3 3.86Å; L360-W402 HydrophobicContact CD1-CD2 4.04Å; L360-W402 HydrophobicContact CD1-CE3 3.9Å; L360-W402 HydrophobicContact CD1-CG 4.39Å; L360-W402 HydrophobicContact CD1-CZ3 4.4Å; L360-W402 HydrophobicContact CD2-CE3 3.85Å; L360-W402 HydrophobicContact CD2-CZ3 3.83Å; L360-W402 HydrophobicContact CG-CE3 4.2Å; L360-W402 HydrophobicContact CG-CZ3 4.23Å; L360-I436 HydrophobicContact CD1-CB 4.19Å; L360-I436 HydrophobicContact CD1-CD1 4.19Å; L360-I436 HydrophobicContact CD1-CG2 3.77Å; L360-I436 HydrophobicContact CD2-CB 4.17Å; L360-I436 HydrophobicContact CD2-CG2 4.25Å
361	H	79.6	Confident	74.1	Confident	135 Å²	135	45.6 Å²	45.6	63%	0.625	24%	0.242	S	C	*	.			trans	-95.9	140.1	174.1	-53.8	88.5	0	0	0	108	I359	I359-H361 WeakPolarHBondContact CG2-CE1 3.47Å
362	G	67.6	Low	73.8	Confident	24 Å²	24	45.7 Å²	45.7	25%	0.247	25%	0.247	C	C	.	.			trans	172.8	-19.5	179.5	0	0	0	0	0	116.6	K400	G362-K400 WeakPolarHBondContact O-CE 3.49Å; G362-K400 PolarHBondContact O-NZ 3.16Å
363	H	79.8	Confident	73.7	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.056	25%	0.251	C	S	.	.			trans	-98.6	154	168.9	-59.2	-86.3	0	0	0	109.8	I367 S392 S394 L398	H363-I367 HydrophobicContact CB-CD1 3.77Å; H363-I367 WeakPolarHBondContact CD2-CD1 3.18Å; H363-S392 PolarHBondContact CE1-O 3.25Å; H363-S392 PolarHBondContact NE2-OG 3.33Å; H363-S394 VanDerWaalsContact ND1-CB 3.34Å; H363-S394 WeakPolarHBondContact ND1-CB 3.49Å; H363-L398 PolarHBondContact CE1-O 2.92Å
364	L	75.4	Confident	73.2	Confident	159 Å²	159	53.2 Å²	53.2	83%	0.832	27%	0.273	S	S	*	.	S	Bend	trans	-103.4	-18	175.7	-59	176.3	0	0	0	111.7	D396	L364-D396 WeakPolarHBondContact CA-OD2 3.32Å; L364-D396 PolarHBondContact N-OD2 3.41Å
365	G	73.8	Confident	72.7	Confident	15 Å²	15	48.9 Å²	48.9	16%	0.155	25%	0.252	C	S	.	.	S	Bend	trans	-112.5	172.1	174.9	0	0	0	0	0	114.5	G345 I367 S394 D396	G345-G365 WeakPolarHBondContact CA-O 3.31Å; G345-G365 PolarHBondContact N-O 2.71Å; G365-I367 PolarHBondContact O-N 3.12Å; G365-S394 VanDerWaalsContact CA-OG 3.26Å; G365-S394 WeakPolarHBondContact CA-OG 3.43Å; G365-S394 PolarHBondContact O-OG 2.86Å; G365-D396 PolarHBondContact N-OD2 3.17Å
366	E	81.1	Confident	71.3	Confident	38 Å²	38	50.8 Å²	50.8	18%	0.178	26%	0.26	C	S	.	.			trans	-48.6	125.8	171.7	170.1	176.1	163.7	0	0	113.5	T327 K343 I368 S394 K395	T327-E366 HydrophobicContact CG2-CG 3.88Å; K343-E366 HydrophobicContact CB-CG 4.42Å; K343-E366 WeakPolarHBondContact CE-OE2 3.48Å; K343-E366 HydrophobicContact CG-CB 3.93Å; K343-E366 HydrophobicContact CG-CG 3.91Å; K343-E366 WeakPolarHBondContact CG-OE2 3.36Å; K343-E366 WeakPolarHBondContact O-CA 3.34Å; K343-E366 PolarHBondContact O-N 3.21Å; E366-I368 PolarHBondContact O-N 3.26Å; E366-S394 CarbonylContact O-C 3.6Å; E366-S394 VanDerWaalsContact O-CA 3.24Å; E366-S394 WeakPolarHBondContact O-CA 3.1Å; E366-S394 PolarHBondContact O-OG 3.42Å; E366-S394 VanDerWaalsContact O-OG 3.13Å; E366-K395 HydrophobicContact CB-CB 4.41Å; E366-K395 HydrophobicContact CB-CD 4.05Å; E366-K395 HydrophobicContact CB-CG 4.17Å; E366-K395 HydrophobicContact CG-CD 4.16Å; E366-K395 HydrophobicContact CG-CG 4.42Å; E366-K395 PolarHBondContact O-N 3.07Å; E366-K395 VanDerWaalsContact OE1-CE 3.31Å; E366-K395 WeakPolarHBondContact OE1-CE 3.09Å; E366-K395 IonicContact OE1-NZ 2.73Å; E366-K395 PolarHBondContact OE1-NZ 3.38Å; E366-K395 WeakPolarHBondContact OE2-CE 3.41Å; E366-K395 IonicContact OE2-NZ 3.49Å; E366-K395 PolarHBondContact OE2-NZ 3.24Å
367	I	80	Confident	69.5	Low	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	111.6	174.9	-50.3	-59.2	0	0	0	109.3	T327 A328 D342 I347 H363 G365 F370	T327-I367 VanDerWaalsContact CB-O 3.27Å; T327-I367 WeakPolarHBondContact CB-O 3.15Å; T327-I367 PolarHBondContact OG1-O 3.2Å; A328-I367 HydrophobicContact CB-CB 4.3Å; A328-I367 HydrophobicContact CB-CG2 3.69Å; D342-I367 PolarHBondContact O-N 3.46Å; D342-I367 VanDerWaalsContact O-N 3.13Å; I347-I367 HydrophobicContact CD1-CD1 4.14Å; I347-I367 HydrophobicContact CG1-CD1 3.95Å; I347-I367 HydrophobicContact CG1-CG1 4.04Å; H363-I367 HydrophobicContact CB-CD1 3.77Å; H363-I367 WeakPolarHBondContact CD2-CD1 3.18Å; G365-I367 PolarHBondContact O-N 3.12Å; I367-F370 HydrophobicContact CG2-CD1 4.44Å; I367-F370 HydrophobicContact CG2-CE1 4.01Å; I367-F370 HydrophobicContact CG2-CE2 4.25Å; I367-F370 HydrophobicContact CG2-CZ 3.91Å
368	I	76	Confident	67.9	Low	26 Å²	26	52.9 Å²	52.9	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-48.6	178.9	-51.4	160.4	0	0	0	109.9	E366 I393 K395 I466	E366-I368 PolarHBondContact O-N 3.26Å; I368-I393 PolarHBondContact N-O 3.47Å; I368-K395 HydrophobicContact CD1-CG 3.8Å; I368-K395 HydrophobicContact CG1-CG 3.54Å; I368-I466 HydrophobicContact CD1-CB 3.85Å; I368-I466 HydrophobicContact CD1-CG2 4.28Å; I368-I466 VanDerWaalsContact CD1-O 3.22Å; I368-I466 WeakPolarHBondContact CD1-O 3.39Å
369	H	74.8	Confident	65.7	Low	60 Å²	60	56.5 Å²	56.5	28%	0.278	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.8	-167.8	-168.4	-114.7	0	0	0	113.7	I393 I469	H369-I393 PolarHBondContact N-O 2.81Å; H369-I393 PolarHBondContact O-N 2.84Å; H369-I469 HydrophobicContact CB-CB 4.49Å; H369-I469 PolarHBondContact ND1-O 2.96Å
370	F	78.9	Confident	63.3	Low	6 Å²	6	59.1 Å²	59.1	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134	171.4	-68.7	-65.9	0	0	0	110.7	A328 L330 I339 G341 I347 I367 F390 V391	A328-F370 HydrophobicContact CB-CD2 3.48Å; A328-F370 VanDerWaalsContact CB-CD2 3.48Å; A328-F370 HydrophobicContact CB-CE2 3.6Å; A328-F370 HydrophobicContact CB-CG 4.3Å; A328-F370 HydrophobicContact CB-CZ 4.5Å; A328-F370 WeakPolarHBondContact O-CE2 3.09Å; L330-F370 HydrophobicContact CB-CB 3.56Å; L330-F370 HydrophobicContact CB-CD2 4.17Å; L330-F370 HydrophobicContact CB-CG 4.15Å; L330-F370 HydrophobicContact CD2-CB 3.92Å; L330-F370 HydrophobicContact CG-CB 4.32Å; I339-F370 HydrophobicContact CG2-CD1 4.2Å; I339-F370 HydrophobicContact CG2-CD2 4.32Å; I339-F370 HydrophobicContact CG2-CE1 3.82Å; I339-F370 HydrophobicContact CG2-CE2 3.94Å; I339-F370 HydrophobicContact CG2-CG 4.45Å; I339-F370 HydrophobicContact CG2-CZ 3.67Å; G341-F370 VanDerWaalsContact N-CE2 3.33Å; I347-F370 HydrophobicContact CB-CE1 4.44Å; I347-F370 HydrophobicContact CB-CZ 4.33Å; I347-F370 HydrophobicContact CD1-CE1 3.89Å; I347-F370 HydrophobicContact CD1-CZ 4.47Å; I347-F370 HydrophobicContact CG1-CE1 3.8Å; I347-F370 HydrophobicContact CG1-CZ 3.87Å; I347-F370 HydrophobicContact CG2-CE1 3.84Å; I347-F370 HydrophobicContact CG2-CZ 3.8Å; I367-F370 HydrophobicContact CG2-CD1 4.44Å; I367-F370 HydrophobicContact CG2-CE1 4.01Å; I367-F370 HydrophobicContact CG2-CE2 4.25Å; I367-F370 HydrophobicContact CG2-CZ 3.91Å; F370-F390 HydrophobicContact CD1-CD2 4.06Å; F370-F390 HydrophobicContact CD1-CE2 4.21Å; F370-F390 HydrophobicContact CE1-CD2 4.44Å; F370-F390 HydrophobicContact CE1-CE2 4.13Å; F370-V391 CarbonylContact C-O 3.58Å; F370-V391 VanDerWaalsContact CA-O 3.25Å; F370-V391 WeakPolarHBondContact CA-O 3.49Å
371	S	69.7	Low	61.1	Low	9 Å²	9	65.4 Å²	65.4	6%	0.063	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.9	169.6	-170.6	0	0	0	0	111.3	F390 V391	S371-F390 CarbonylContact O-C 3.55Å; S371-F390 VanDerWaalsContact O-CA 3.25Å; S371-F390 WeakPolarHBondContact O-CA 3.5Å; S371-F390 WeakPolarHBondContact O-CB 3.24Å; S371-V391 PolarHBondContact N-O 3.31Å; S371-V391 PolarHBondContact O-N 3.17Å
372	A	67.6	Low	58.9	Low	32 Å²	32	68.1 Å²	68.1	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.2	168.2	0	0	0	0	0	108.9	L330	L330-A372 HydrophobicContact CD1-CB 4.02Å; L330-A372 HydrophobicContact CD2-CB 4.05Å
373	H	61.2	Low	57.1	Low	49 Å²	49	74.3 Å²	74.3	23%	0.227	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.6	-173.6	-172.3	-51.3	0	0	0	110.8	W375 I378 S389 V391	H373-W375 AromaticContact ND1-CD1 3.97Å; H373-W375 PolarHBondContact O-N 3.21Å; H373-I378 WeakPolarHBondContact CE1-CD1 3.27Å; H373-S389 WeakPolarHBondContact CB-OG 3.42Å; H373-S389 PolarHBondContact N-O 2.69Å; H373-S389 PolarHBondContact O-OG 2.86Å; H373-V391 HydrophobicContact CB-CG2 4.18Å
374	R	49.5	Very low	54.7	Low	155 Å²	155	84.5 Å²	84.5	59%	0.585	40%	0.403	S	S	*	.			trans	-80	107.3	172	-91.1	-178.6	174.9	-110.5	15.5	110.4	D376 L377	R374-D376 VanDerWaalsContact C-OD1 3.27Å; R374-D376 VanDerWaalsContact CA-OD1 3.26Å; R374-D376 WeakPolarHBondContact CA-OD1 3.31Å; R374-D376 WeakPolarHBondContact CB-OD1 3.43Å; R374-D376 WeakPolarHBondContact CD-OD2 3.37Å; R374-D376 WeakPolarHBondContact CG-OD1 3.48Å; R374-D376 IonicContact CZ-OD2 2.66Å; R374-D376 IonicContact NE-OD2 2.87Å; R374-D376 IonicContact NH1-OD2 3.16Å; R374-D376 PolarHBondContact NH1-OD2 3.36Å; R374-D376 PolarHBondContact O-N 2.91Å; R374-L377 HydrophobicContact CB-CD1 4.16Å; R374-L377 HydrophobicContact CB-CG 4.33Å; R374-L377 PolarHBondContact O-N 2.85Å
375	W	51.2	Low	52.7	Low	15 Å²	15	79.1 Å²	79.1	6%	0.057	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-68.3	-21.3	177	-103.9	41.2	0	0	0	112.8	H373 L377 I378 R379 V439 T444	H373-W375 AromaticContact ND1-CD1 3.97Å; H373-W375 PolarHBondContact O-N 3.21Å; W375-L377 PolarHBondContact O-N 3.46Å; W375-I378 PolarHBondContact O-N 3.23Å; W375-I378 VanDerWaalsContact O-N 3.1Å; W375-R379 VanDerWaalsContact CZ3-NH2 3.31Å; W375-V439 HydrophobicContact CH2-CG1 4Å; W375-V439 HydrophobicContact CH2-CG2 4.28Å; W375-V439 HydrophobicContact CZ2-CB 4.31Å; W375-V439 HydrophobicContact CZ2-CG1 3.95Å; W375-V439 HydrophobicContact CZ2-CG2 3.97Å; W375-T444 HydrophobicContact CZ2-CG2 4.11Å; W375-T444 WeakPolarHBondContact CZ2-OG1 3.24Å
376	D	39.4	Very low	51.2	Low	100 Å²	100	84.9 Å²	84.9	54%	0.535	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-55.8	-22.6	172.2	37.6	-52.6	0	0	0	113.9	R374	R374-D376 VanDerWaalsContact C-OD1 3.27Å; R374-D376 VanDerWaalsContact CA-OD1 3.26Å; R374-D376 WeakPolarHBondContact CA-OD1 3.31Å; R374-D376 WeakPolarHBondContact CB-OD1 3.43Å; R374-D376 WeakPolarHBondContact CD-OD2 3.37Å; R374-D376 WeakPolarHBondContact CG-OD1 3.48Å; R374-D376 IonicContact CZ-OD2 2.66Å; R374-D376 IonicContact NE-OD2 2.87Å; R374-D376 IonicContact NH1-OD2 3.16Å; R374-D376 PolarHBondContact NH1-OD2 3.36Å; R374-D376 PolarHBondContact O-N 2.91Å
377	L	38.1	Very low	49.7	Very low	100 Å²	100	84.3 Å²	84.3	52%	0.524	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-80.8	-15.9	175.5	-69.7	169.8	0	0	0	114.7	R374 W375 D474	R374-L377 HydrophobicContact CB-CD1 4.16Å; R374-L377 HydrophobicContact CB-CG 4.33Å; R374-L377 PolarHBondContact O-N 2.85Å; W375-L377 PolarHBondContact O-N 3.46Å; L377-D474 WeakPolarHBondContact CD1-O 3.21Å
378	I	40.9	Very low	48.9	Very low	74 Å²	74	86 Å²	86	38%	0.379	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-19.5	-168.6	-66.5	-175.1	0	0	0	113.9	H373 W375 T444	H373-I378 WeakPolarHBondContact CE1-CD1 3.27Å; W375-I378 PolarHBondContact O-N 3.23Å; W375-I378 VanDerWaalsContact O-N 3.1Å; I378-T444 HydrophobicContact CD1-CG2 4.24Å; I378-T444 HydrophobicContact CG2-CG2 4.28Å
379	R	33.1	Very low	48.5	Very low	99 Å²	99	84.8 Å²	84.8	37%	0.374	42%	0.416	S	S	.	.	S	Bend	trans	-111.9	131.7	-173.2	-69	-170.2	177.5	-144.2	-2.4	114.1	W375 Q381	W375-R379 VanDerWaalsContact CZ3-NH2 3.31Å; R379-Q381 PolarHBondContact O-N 2.71Å; R379-Q381 VanDerWaalsContact O-N 3.13Å
380	P	30.4	Very low	48.6	Very low	118 Å²	118	82 Å²	82	77%	0.766	40%	0.403	S	S	*	.			trans	-73.8	104.5	174.6	29.4	-33.9	0	0	0	112	K382	P380-K382 VanDerWaalsContact C-N 3.26Å; P380-K382 PolarHBondContact O-N 2.96Å
381	Q	34.2	Very low	48.4	Very low	147 Å²	147	82.4 Å²	82.4	69%	0.687	41%	0.406	S	S	*	.	S	Bend	trans	43.6	-19.3	158.6	-70.6	-171.4	-10.4	0	0	122.7	R379	R379-Q381 PolarHBondContact O-N 2.71Å; R379-Q381 VanDerWaalsContact O-N 3.13Å
382	K	33.8	Very low	48.9	Very low	192 Å²	192	82 Å²	82	84%	0.835	40%	0.403	S	S	*	.	S	Bend	trans	-100.6	-2.8	-169.7	-75.1	-171.9	173.9	-178.4	0	115.9	P380	P380-K382 VanDerWaalsContact C-N 3.26Å; P380-K382 PolarHBondContact O-N 2.96Å
383	F	30.6	Very low	49.3	Very low	155 Å²	155	80.7 Å²	80.7	68%	0.68	39%	0.392	S	S	*	.			trans	-118.7	97.9	175.8	-87.5	-84.6	0	0	0	111.2	S385	F383-S385 VanDerWaalsContact C-N 3.27Å; F383-S385 PolarHBondContact O-N 2.84Å
384	Y	28.6	Very low	50	Low	226 Å²	226	78.3 Å²	78.3	89%	0.886	38%	0.381	S	S	*	.			trans	-72.2	81.6	168.6	-73.7	-86.4	0	0	0	110.4
385	S	34.5	Very low	51	Low	45 Å²	45	74.6 Å²	74.6	32%	0.315	37%	0.369	S	S	.	.			trans	-120.7	97.1	164.4	-179.6	0	0	0	0	107.6	F383 S387	F383-S385 VanDerWaalsContact C-N 3.27Å; F383-S385 PolarHBondContact O-N 2.84Å; S385-S387 PolarHBondContact O-N 2.65Å; S385-S387 WeakPolarHBondContact OG-CB 3.31Å; S385-S387 PolarHBondContact OG-OG 2.73Å
386	T	42.3	Very low	52	Low	136 Å²	136	76.5 Å²	76.5	83%	0.834	38%	0.38	S	S	*	.			trans	-78.9	7.3	172.9	46.3	0	0	0	0	112.6	P388	T386-P388 WeakPolarHBondContact O-CD 3.38Å
387	S	49.8	Very low	52.9	Low	26 Å²	26	73.9 Å²	73.9	18%	0.182	38%	0.377	C	S	.	.			trans	-51.9	116	173.3	-76.2	0	0	0	0	111.2	S385 F404	S385-S387 PolarHBondContact O-N 2.65Å; S385-S387 WeakPolarHBondContact OG-CB 3.31Å; S385-S387 PolarHBondContact OG-OG 2.73Å; S387-F404 WeakPolarHBondContact CB-O 3.4Å; S387-F404 PolarHBondContact OG-O 3.32Å
388	P	63.3	Low	54.2	Low	35 Å²	35	72.1 Å²	72.1	23%	0.227	37%	0.368	C	S	.	.			trans	-63	158.9	172.5	-26.7	40.5	0	0	0	111.2	I332 L335 T386 F404	I332-P388 HydrophobicContact CG2-CB 4.33Å; L335-P388 HydrophobicContact CD1-CB 3.98Å; L335-P388 HydrophobicContact CD1-CG 3.74Å; L335-P388 HydrophobicContact CD2-CG 3.98Å; L335-P388 HydrophobicContact CG-CB 4.47Å; L335-P388 HydrophobicContact CG-CG 3.84Å; T386-P388 WeakPolarHBondContact O-CD 3.38Å; P388-F404 HydrophobicContact CB-CD2 4.29Å; P388-F404 WeakPolarHBondContact O-CD2 3.44Å; P388-F404 PolarHBondContact O-N 2.8Å; P388-F404 VanDerWaalsContact O-N 3.1Å
389	S	67.5	Low	55.5	Low	2 Å²	2	70 Å²	70	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.3	175.2	75.1	0	0	0	0	110.5	H373 W402	H373-S389 WeakPolarHBondContact CB-OG 3.42Å; H373-S389 PolarHBondContact N-O 2.69Å; H373-S389 PolarHBondContact O-OG 2.86Å; S389-W402 CarbonylContact C-O 3.48Å; S389-W402 WeakPolarHBondContact CA-O 3.5Å; S389-W402 VanDerWaalsContact CB-O 3.26Å; S389-W402 WeakPolarHBondContact CB-O 3.5Å
390	F	76.2	Confident	57.4	Low	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.6	171.6	67.1	-80.3	0	0	0	111.2	L330 I332 I339 I347 T349 L360 F370 S371 C401 W402 F404 I436	L330-F390 HydrophobicContact CD2-CB 3.81Å; L330-F390 HydrophobicContact CD2-CG 4.47Å; I332-F390 HydrophobicContact CD1-CB 4.37Å; I332-F390 HydrophobicContact CD1-CD1 4.3Å; I339-F390 HydrophobicContact CD1-CB 4.37Å; I339-F390 HydrophobicContact CD1-CD1 3.51Å; I339-F390 HydrophobicContact CD1-CD2 3.94Å; I339-F390 HydrophobicContact CD1-CE1 3.58Å; I339-F390 HydrophobicContact CD1-CE2 4.02Å; I339-F390 HydrophobicContact CD1-CG 3.68Å; I339-F390 HydrophobicContact CD1-CZ 3.84Å; I339-F390 HydrophobicContact CG2-CD2 4.33Å; I339-F390 HydrophobicContact CG2-CE2 3.83Å; I339-F390 HydrophobicContact CG2-CZ 4.14Å; I347-F390 HydrophobicContact CG2-CE2 4.25Å; I347-F390 HydrophobicContact CG2-CZ 4.42Å; T349-F390 HydrophobicContact CG2-CZ 4.39Å; L360-F390 HydrophobicContact CD1-CE1 4.45Å; L360-F390 HydrophobicContact CD1-CZ 3.73Å; F370-F390 HydrophobicContact CD1-CD2 4.06Å; F370-F390 HydrophobicContact CD1-CE2 4.21Å; F370-F390 HydrophobicContact CE1-CD2 4.44Å; F370-F390 HydrophobicContact CE1-CE2 4.13Å; S371-F390 CarbonylContact O-C 3.55Å; S371-F390 VanDerWaalsContact O-CA 3.25Å; S371-F390 WeakPolarHBondContact O-CA 3.5Å; S371-F390 WeakPolarHBondContact O-CB 3.24Å; F390-C401 WeakPolarHBondContact O-CA 3.45Å; F390-W402 HydrophobicContact CD1-CB 3.91Å; F390-W402 HydrophobicContact CD2-CB 4.49Å; F390-W402 AromaticContact CD2-CD1 3.72Å; F390-W402 HydrophobicContact CD2-CG 4.41Å; F390-W402 HydrophobicContact CE1-CB 3.49Å; F390-W402 VanDerWaalsContact CE1-CB 3.49Å; F390-W402 HydrophobicContact CE1-CG 4.09Å; F390-W402 HydrophobicContact CE2-CB 4.11Å; F390-W402 AromaticContact CE2-CD1 3.31Å; F390-W402 AromaticContact CE2-CG 3.82Å; F390-W402 HydrophobicContact CE2-CG 3.82Å; F390-W402 AromaticContact CE2-NE1 3.97Å; F390-W402 HydrophobicContact CG-CB 4.4Å; F390-W402 HydrophobicContact CZ-CB 3.6Å; F390-W402 AromaticContact CZ-CD1 3.65Å; F390-W402 HydrophobicContact CZ-CD2 4.5Å; F390-W402 AromaticContact CZ-CG 3.65Å; F390-W402 HydrophobicContact CZ-CG 3.65Å; F390-W402 PolarHBondContact N-O 3.38Å; F390-W402 PolarHBondContact O-N 3.44Å; F390-F404 AromaticContact CD1-CE2 3.8Å; F390-F404 HydrophobicContact CD1-CE2 3.8Å; F390-F404 HydrophobicContact CD1-CZ 4.45Å; F390-F404 AromaticContact CE1-CE2 3.91Å; F390-F404 HydrophobicContact CE1-CE2 3.91Å; F390-F404 HydrophobicContact CE1-CZ 4.2Å; F390-I436 HydrophobicContact CE1-CD1 4.46Å; F390-I436 HydrophobicContact CE1-CG2 4.18Å
391	V	74.5	Confident	59.4	Low	16 Å²	16	61.7 Å²	61.7	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.5	175.7	177.3	0	0	0	0	108	F370 S371 H373 I393 M399 K400 C401	F370-V391 CarbonylContact C-O 3.58Å; F370-V391 VanDerWaalsContact CA-O 3.25Å; F370-V391 WeakPolarHBondContact CA-O 3.49Å; S371-V391 PolarHBondContact N-O 3.31Å; S371-V391 PolarHBondContact O-N 3.17Å; H373-V391 HydrophobicContact CB-CG2 4.18Å; V391-I393 HydrophobicContact CG1-CD1 4.43Å; V391-I393 HydrophobicContact CG1-CG1 4.1Å; V391-M399 HydrophobicContact CG1-CG 3.41Å; V391-M399 VanDerWaalsContact CG1-CG 3.41Å; V391-M399 HydrophobicContact CG1-SD 3.53Å; V391-M399 VanDerWaalsContact CG1-SD 3.53Å; V391-K400 VanDerWaalsContact CA-O 3.32Å; V391-K400 WeakPolarHBondContact CA-O 3.28Å; V391-C401 HydrophobicContact CG2-CB 4.47Å
392	S	80.6	Confident	61.4	Low	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.8	176.8	59.4	0	0	0	0	109.4	H363 K400 W402	H363-S392 PolarHBondContact CE1-O 3.25Å; H363-S392 PolarHBondContact NE2-OG 3.33Å; S392-K400 PolarHBondContact N-O 2.93Å; S392-K400 PolarHBondContact O-N 2.66Å; S392-K400 PolarHBondContact OG-O 2.82Å; S392-W402 PolarHBondContact OG-NE1 3.04Å
393	I	74.8	Confident	63.1	Low	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.6	-173.7	-34.8	173.7	0	0	0	110.1	I368 H369 V391 L398 M399 I466 I469	I368-I393 PolarHBondContact N-O 3.47Å; H369-I393 PolarHBondContact N-O 2.81Å; H369-I393 PolarHBondContact O-N 2.84Å; V391-I393 HydrophobicContact CG1-CD1 4.43Å; V391-I393 HydrophobicContact CG1-CG1 4.1Å; I393-L398 WeakPolarHBondContact CA-O 3.45Å; I393-M399 HydrophobicContact CD1-CG 4.42Å; I393-M399 HydrophobicContact CD1-SD 3.81Å; I393-M399 HydrophobicContact CG1-CB 4.42Å; I393-M399 HydrophobicContact CG1-CG 3.99Å; I393-M399 HydrophobicContact CG1-SD 4.05Å; I393-M399 HydrophobicContact CG2-CB 4.18Å; I393-I466 HydrophobicContact CG2-CD1 4.49Å; I393-I469 HydrophobicContact CB-CD1 3.68Å; I393-I469 HydrophobicContact CD1-CB 4.34Å; I393-I469 HydrophobicContact CD1-CD1 3.56Å; I393-I469 HydrophobicContact CD1-CG2 3.71Å; I393-I469 HydrophobicContact CG1-CD1 4.2Å; I393-I469 HydrophobicContact CG2-CD1 3.34Å
394	S	77	Confident	64.8	Low	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.9	-169.6	172.7	0	0	0	0	113.5	H363 G365 E366 D396 G397 L398	H363-S394 VanDerWaalsContact ND1-CB 3.34Å; H363-S394 WeakPolarHBondContact ND1-CB 3.49Å; G365-S394 VanDerWaalsContact CA-OG 3.26Å; G365-S394 WeakPolarHBondContact CA-OG 3.43Å; G365-S394 PolarHBondContact O-OG 2.86Å; E366-S394 CarbonylContact O-C 3.6Å; E366-S394 VanDerWaalsContact O-CA 3.24Å; E366-S394 WeakPolarHBondContact O-CA 3.1Å; E366-S394 PolarHBondContact O-OG 3.42Å; E366-S394 VanDerWaalsContact O-OG 3.13Å; S394-D396 WeakPolarHBondContact CB-OD1 3.24Å; S394-D396 PolarHBondContact O-N 3.12Å; S394-D396 VanDerWaalsContact OG-CG 3.3Å; S394-D396 PolarHBondContact OG-N 2.79Å; S394-D396 PolarHBondContact OG-OD1 3.12Å; S394-D396 PolarHBondContact OG-OD2 3.42Å; S394-G397 PolarHBondContact O-N 2.6Å; S394-L398 PolarHBondContact N-O 2.82Å
395	K	70.3	Confident	65.9	Low	77 Å²	77	34.1 Å²	34.1	34%	0.335	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.6	172.8	-69.1	-168.4	-177.9	165.4	0	114.1	E366 I368 G397	E366-K395 HydrophobicContact CB-CB 4.41Å; E366-K395 HydrophobicContact CB-CD 4.05Å; E366-K395 HydrophobicContact CB-CG 4.17Å; E366-K395 HydrophobicContact CG-CD 4.16Å; E366-K395 HydrophobicContact CG-CG 4.42Å; E366-K395 PolarHBondContact O-N 3.07Å; E366-K395 VanDerWaalsContact OE1-CE 3.31Å; E366-K395 WeakPolarHBondContact OE1-CE 3.09Å; E366-K395 IonicContact OE1-NZ 2.73Å; E366-K395 PolarHBondContact OE1-NZ 3.38Å; E366-K395 WeakPolarHBondContact OE2-CE 3.41Å; E366-K395 IonicContact OE2-NZ 3.49Å; E366-K395 PolarHBondContact OE2-NZ 3.24Å; I368-K395 HydrophobicContact CD1-CG 3.8Å; I368-K395 HydrophobicContact CG1-CG 3.54Å; K395-G397 PolarHBondContact O-N 2.82Å
396	D	72	Confident	66.5	Low	54 Å²	54	37.7 Å²	37.7	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.3	168.3	63.5	18.7	0	0	0	113.7	L364 G365 S394 L398	L364-D396 WeakPolarHBondContact CA-OD2 3.32Å; L364-D396 PolarHBondContact N-OD2 3.41Å; G365-D396 PolarHBondContact N-OD2 3.17Å; S394-D396 WeakPolarHBondContact CB-OD1 3.24Å; S394-D396 PolarHBondContact O-N 3.12Å; S394-D396 VanDerWaalsContact OG-CG 3.3Å; S394-D396 PolarHBondContact OG-N 2.79Å; S394-D396 PolarHBondContact OG-OD1 3.12Å; S394-D396 PolarHBondContact OG-OD2 3.42Å; D396-L398 WeakPolarHBondContact OD1-CB 3.43Å; D396-L398 WeakPolarHBondContact OD1-CG 3.05Å; D396-L398 PolarHBondContact OD1-N 3.24Å
397	G	58.5	Low	66.1	Low	45 Å²	45	34.8 Å²	34.8	46%	0.464	19%	0.188	S	C	.	.	S	Bend	trans	85.8	-0.7	-178.8	0	0	0	0	0	114.5	S394 K395	S394-G397 PolarHBondContact O-N 2.6Å; K395-G397 PolarHBondContact O-N 2.82Å
398	L	64.9	Low	65.1	Low	64 Å²	64	41 Å²	41	34%	0.335	21%	0.213	S	C	.	.			trans	-83.7	134.3	-178.9	-59.7	178.5	0	0	0	111.9	H363 I393 S394 D396	H363-L398 PolarHBondContact CE1-O 2.92Å; I393-L398 WeakPolarHBondContact CA-O 3.45Å; S394-L398 PolarHBondContact N-O 2.82Å; D396-L398 WeakPolarHBondContact OD1-CB 3.43Å; D396-L398 WeakPolarHBondContact OD1-CG 3.05Å; D396-L398 PolarHBondContact OD1-N 3.24Å
399	M	69.6	Low	63.2	Low	28 Å²	28	49.7 Å²	49.7	14%	0.138	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.5	167.1	-178.9	160.6	70.5	0	0	109.9	V391 I393 L445 L448 Y449 I478	V391-M399 HydrophobicContact CG1-CG 3.41Å; V391-M399 VanDerWaalsContact CG1-CG 3.41Å; V391-M399 HydrophobicContact CG1-SD 3.53Å; V391-M399 VanDerWaalsContact CG1-SD 3.53Å; I393-M399 HydrophobicContact CD1-CG 4.42Å; I393-M399 HydrophobicContact CD1-SD 3.81Å; I393-M399 HydrophobicContact CG1-CB 4.42Å; I393-M399 HydrophobicContact CG1-CG 3.99Å; I393-M399 HydrophobicContact CG1-SD 4.05Å; I393-M399 HydrophobicContact CG2-CB 4.18Å; M399-L445 HydrophobicContact CE-CD2 3.92Å; M399-L448 HydrophobicContact CE-CD1 4.26Å; M399-Y449 PolarHBondContact O-OH 3.09Å; M399-I478 HydrophobicContact CE-CD1 3.86Å; M399-I478 HydrophobicContact SD-CD1 4.08Å
400	K	71.9	Confident	61.4	Low	33 Å²	33	56.8 Å²	56.8	14%	0.143	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.1	-178.8	-70.4	-168.9	162.8	-141.1	0	112.2	G362 V391 S392 W402 E438	G362-K400 WeakPolarHBondContact O-CE 3.49Å; G362-K400 PolarHBondContact O-NZ 3.16Å; V391-K400 VanDerWaalsContact CA-O 3.32Å; V391-K400 WeakPolarHBondContact CA-O 3.28Å; S392-K400 PolarHBondContact N-O 2.93Å; S392-K400 PolarHBondContact O-N 2.66Å; S392-K400 PolarHBondContact OG-O 2.82Å; K400-W402 HydrophobicContact CB-CZ2 4.07Å; K400-W402 HydrophobicContact CD-CH2 4.32Å; K400-W402 HydrophobicContact CD-CZ2 3.93Å; K400-E438 VanDerWaalsContact CD-OE1 3.29Å; K400-E438 WeakPolarHBondContact CD-OE1 3.46Å; K400-E438 WeakPolarHBondContact CE-OE1 3.5Å; K400-E438 IonicContact NZ-OE1 3.56Å; K400-E438 PolarHBondContact NZ-OE1 2.89Å; K400-E438 IonicContact NZ-OE2 3.72Å; K400-E438 PolarHBondContact NZ-OE2 3.27Å
401	C	71.7	Confident	59	Low	10 Å²	10	67 Å²	67	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.1	-179.8	-174.7	0	0	0	0	111.2	F390 V391 V439 L445	F390-C401 WeakPolarHBondContact O-CA 3.45Å; V391-C401 HydrophobicContact CG2-CB 4.47Å; C401-V439 PolarHBondContact O-N 3.32Å; C401-V439 VanDerWaalsContact O-N 3.08Å; C401-L445 HydrophobicContact CB-CD1 3.98Å
402	W	77.2	Confident	56.7	Low	5 Å²	5	74 Å²	74	2%	0.019	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.5	-173.5	-47.9	90.9	0	0	0	110	I347 L360 S389 F390 S392 K400 I436 K437 E438	I347-W402 HydrophobicContact CD1-CZ2 3.84Å; L360-W402 HydrophobicContact CB-CE3 4.2Å; L360-W402 HydrophobicContact CB-CH2 3.96Å; L360-W402 HydrophobicContact CB-CZ2 4.38Å; L360-W402 HydrophobicContact CB-CZ3 3.86Å; L360-W402 HydrophobicContact CD1-CD2 4.04Å; L360-W402 HydrophobicContact CD1-CE3 3.9Å; L360-W402 HydrophobicContact CD1-CG 4.39Å; L360-W402 HydrophobicContact CD1-CZ3 4.4Å; L360-W402 HydrophobicContact CD2-CE3 3.85Å; L360-W402 HydrophobicContact CD2-CZ3 3.83Å; L360-W402 HydrophobicContact CG-CE3 4.2Å; L360-W402 HydrophobicContact CG-CZ3 4.23Å; S389-W402 CarbonylContact C-O 3.48Å; S389-W402 WeakPolarHBondContact CA-O 3.5Å; S389-W402 VanDerWaalsContact CB-O 3.26Å; S389-W402 WeakPolarHBondContact CB-O 3.5Å; F390-W402 HydrophobicContact CD1-CB 3.91Å; F390-W402 HydrophobicContact CD2-CB 4.49Å; F390-W402 AromaticContact CD2-CD1 3.72Å; F390-W402 HydrophobicContact CD2-CG 4.41Å; F390-W402 HydrophobicContact CE1-CB 3.49Å; F390-W402 VanDerWaalsContact CE1-CB 3.49Å; F390-W402 HydrophobicContact CE1-CG 4.09Å; F390-W402 HydrophobicContact CE2-CB 4.11Å; F390-W402 AromaticContact CE2-CD1 3.31Å; F390-W402 AromaticContact CE2-CG 3.82Å; F390-W402 HydrophobicContact CE2-CG 3.82Å; F390-W402 AromaticContact CE2-NE1 3.97Å; F390-W402 HydrophobicContact CG-CB 4.4Å; F390-W402 HydrophobicContact CZ-CB 3.6Å; F390-W402 AromaticContact CZ-CD1 3.65Å; F390-W402 HydrophobicContact CZ-CD2 4.5Å; F390-W402 AromaticContact CZ-CG 3.65Å; F390-W402 HydrophobicContact CZ-CG 3.65Å; F390-W402 PolarHBondContact N-O 3.38Å; F390-W402 PolarHBondContact O-N 3.44Å; S392-W402 PolarHBondContact OG-NE1 3.04Å; K400-W402 HydrophobicContact CB-CZ2 4.07Å; K400-W402 HydrophobicContact CD-CH2 4.32Å; K400-W402 HydrophobicContact CD-CZ2 3.93Å; W402-I436 HydrophobicContact CB-CG2 3.89Å; W402-K437 WeakPolarHBondContact CA-O 3.49Å; W402-E438 HydrophobicContact CE3-CB 3.83Å; W402-E438 HydrophobicContact CH2-CB 4.43Å; W402-E438 HydrophobicContact CZ3-CB 3.7Å; W402-E438 HydrophobicContact CZ3-CG 4.41Å
403	Q	69.4	Low	54.2	Low	2 Å²	2	83.8 Å²	83.8	1%	0.009	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.4	-179.6	-175.7	-179.2	14.6	0	0	111.1	W405 I436 K437 V439	Q403-W405 VanDerWaalsContact OE1-CZ2 3.3Å; Q403-I436 WeakPolarHBondContact O-CA 3.32Å; Q403-K437 PolarHBondContact N-O 3.06Å; Q403-K437 PolarHBondContact O-N 2.77Å; Q403-K437 VanDerWaalsContact O-N 3.1Å; Q403-V439 HydrophobicContact CB-CG2 3.37Å; Q403-V439 HydrophobicContact CG-CG2 4.39Å
404	F	66.4	Low	51.9	Low	13 Å²	13	89.7 Å²	89.7	6%	0.057	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115	174	-71.3	-95.2	0	0	0	110.8	I332 L335 I337 I339 S387 P388 F390 I436	I332-F404 HydrophobicContact CD1-CE2 3.64Å; I332-F404 HydrophobicContact CD1-CZ 4.15Å; L335-F404 HydrophobicContact CD1-CB 4.41Å; L335-F404 HydrophobicContact CD1-CD1 3.86Å; L335-F404 HydrophobicContact CD1-CD2 3.91Å; L335-F404 HydrophobicContact CD1-CE1 4.05Å; L335-F404 HydrophobicContact CD1-CE2 4.09Å; L335-F404 HydrophobicContact CD1-CG 3.8Å; L335-F404 HydrophobicContact CD1-CZ 4.16Å; I337-F404 HydrophobicContact CD1-CD1 4.03Å; I337-F404 HydrophobicContact CD1-CE1 3.38Å; I337-F404 HydrophobicContact CD1-CZ 4.04Å; I337-F404 HydrophobicContact CG2-CE1 4.2Å; I337-F404 HydrophobicContact CG2-CZ 4Å; I339-F404 HydrophobicContact CD1-CZ 4.37Å; S387-F404 WeakPolarHBondContact CB-O 3.4Å; S387-F404 PolarHBondContact OG-O 3.32Å; P388-F404 HydrophobicContact CB-CD2 4.29Å; P388-F404 WeakPolarHBondContact O-CD2 3.44Å; P388-F404 PolarHBondContact O-N 2.8Å; P388-F404 VanDerWaalsContact O-N 3.1Å; F390-F404 AromaticContact CD1-CE2 3.8Å; F390-F404 HydrophobicContact CD1-CE2 3.8Å; F390-F404 HydrophobicContact CD1-CZ 4.45Å; F390-F404 AromaticContact CE1-CE2 3.91Å; F390-F404 HydrophobicContact CE1-CE2 3.91Å; F390-F404 HydrophobicContact CE1-CZ 4.2Å; F404-I436 HydrophobicContact CD1-CD1 3.88Å; F404-I436 HydrophobicContact CD1-CG1 3.63Å; F404-I436 HydrophobicContact CE1-CD1 3.23Å; F404-I436 HydrophobicContact CE1-CG1 3.56Å; F404-I436 HydrophobicContact CE2-CD1 4.37Å; F404-I436 HydrophobicContact CG-CG1 4.3Å; F404-I436 HydrophobicContact CZ-CD1 3.53Å; F404-I436 HydrophobicContact CZ-CG1 4.18Å
405	W	52.5	Low	49.6	Very low	122 Å²	122	98 Å²	98	46%	0.462	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.2	176.1	-66.6	82.4	0	0	0	110.7	Q403 T435	Q403-W405 VanDerWaalsContact OE1-CZ2 3.3Å; W405-T435 WeakPolarHBondContact CB-O 3.44Å; W405-T435 PolarHBondContact N-O 2.82Å; W405-T435 PolarHBondContact O-N 2.9Å
406	Q	45.6	Very low	47.6	Very low	120 Å²	120	97.3 Å²	97.3	56%	0.561	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.6	167.2	-69.4	-170.8	-33.7	0	0	109.7	H408	Q406-H408 PolarHBondContact O-N 3.1Å
407	S	34.2	Very low	45.5	Very low	75 Å²	75	99.8 Å²	99.8	52%	0.524	51%	0.51	S	S	.	.			trans	-82.4	76.3	-177.7	58	0	0	0	0	112.8	Y409	S407-Y409 PolarHBondContact O-N 3.3Å
408	H	28.7	Very low	44.2	Very low	155 Å²	155	106.2 Å²	106.2	72%	0.718	53%	0.528	S	S	*	.			trans	-90.2	95.6	168.4	-83.3	51.1	0	0	0	111.2	Q406 I410	Q406-H408 PolarHBondContact O-N 3.1Å; H408-I410 PolarHBondContact O-N 3.29Å; H408-I410 VanDerWaalsContact O-N 3.17Å
409	Y	24.6	Very low	42.3	Very low	218 Å²	218	107.9 Å²	107.9	86%	0.855	55%	0.545	S	S	*	.			trans	-77	88.4	175.3	-96.6	-83.5	0	0	0	112.1	S407	S407-Y409 PolarHBondContact O-N 3.3Å
410	I	28	Very low	40.3	Very low	152 Å²	152	114.7 Å²	114.7	78%	0.779	58%	0.581	S	S	*	*			trans	-133.8	92.1	163.5	-53.1	-177.5	0	0	0	111.6	H408	H408-I410 PolarHBondContact O-N 3.29Å; H408-I410 VanDerWaalsContact O-N 3.17Å
411	Y	26.6	Very low	38.1	Very low	215 Å²	215	119.9 Å²	119.9	84%	0.843	61%	0.61	S	S	*	*			trans	27.4	114.6	149.9	-71.9	-88.6	0	0	0	120.7
412	L	26	Very low	36	Very low	162 Å²	162	126.7 Å²	126.7	85%	0.848	65%	0.645	S	S	*	*			trans	-57	143.9	141.1	-79.1	126.1	0	0	0	110
413	K	27.7	Very low	33.5	Very low	206 Å²	206	132.1 Å²	132.1	90%	0.896	68%	0.684	S	S	*	*			trans	-110.1	117.3	167.4	-164.4	176.2	-175.7	-178.4	0	109.1
414	N	27.4	Very low	31.6	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	72%	0.722	S	S	*	*			trans	-67.5	151.2	-173	-57.4	-11.3	0	0	0	113
415	D	29.4	Very low	29.8	Very low	175 Å²	175	149.2 Å²	149.2	94%	0.936	76%	0.759	S	S	*	*			trans	-130	126.2	132.7	-90.7	-47.7	0	0	0	107.7
416	G	27.2	Very low	28.6	Very low	61 Å²	61	148.5 Å²	148.5	63%	0.629	77%	0.768	S	S	*	*	S	Bend	trans	118.9	92.9	176.7	0	0	0	0	0	116.7
417	S	28.5	Very low	27.7	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	78%	0.775	S	S	*	*			trans	58.7	134	156.1	48.4	0	0	0	0	121.7
418	E	30.1	Very low	27.5	Very low	180 Å²	180	151.8 Å²	151.8	84%	0.841	79%	0.791	S	S	*	*			trans	56.8	87.8	145.6	-66.2	169.2	-155.3	0	0	118
419	S	25.9	Very low	27.4	Very low	100 Å²	100	152.4 Å²	152.4	70%	0.699	80%	0.8	S	S	*	*				87.1	114.3	72.2	68.2	0	0	0	0	115.6
420	L	28.3	Very low	27.6	Very low	170 Å²	170	145.6 Å²	145.6	89%	0.89	80%	0.796	S	S	*	*				-178.9	158.1	126.1	-98	160.2	0	0	0	112.1
421	N	24.6	Very low	27.6	Very low	142 Å²	142	144 Å²	144	76%	0.759	79%	0.793	S	S	*	*			trans	-79.3	145.2	-173	-56.1	-67.5	0	0	0	113.2
422	L	27.5	Very low	27.8	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	79%	0.788	S	S	*	*			trans	-159.5	57.4	151.2	-116.9	166.5	0	0	0	113.8	R424	L422-R424 HydrophobicContact CD2-CB 4.43Å; L422-R424 PolarHBondContact O-N 3.03Å
423	S	25.4	Very low	28	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	78%	0.776	S	S	*	*			trans	-76.8	56.7	178.9	57.5	0	0	0	0	113.4
424	R	29.2	Very low	28.8	Very low	212 Å²	212	131.7 Å²	131.7	80%	0.8	75%	0.753	S	S	*	*			trans	-146.4	19.6	-168.1	-136.3	176	-172.3	171.5	2.2	118.5	L422	L422-R424 HydrophobicContact CD2-CB 4.43Å; L422-R424 PolarHBondContact O-N 3.03Å
425	I	29.2	Very low	29.8	Very low	162 Å²	162	127.8 Å²	127.8	83%	0.831	73%	0.734	S	S	*	*			trans	-139.2	92.7	167.5	-48.4	174.2	0	0	0	105.3
426	V	26.9	Very low	31.1	Very low	108 Å²	108	120.2 Å²	120.2	66%	0.655	69%	0.694	S	S	*	*			cis	71.3	84.6	24	-170.8	0	0	0	0	112.8
427	S	26	Very low	32.6	Very low	102 Å²	102	123 Å²	123	71%	0.713	69%	0.688	S	S	*	*			trans	36.4	98.9	149.8	60.5	0	0	0	0	119
428	D	29.9	Very low	34	Very low	161 Å²	161	121.8 Å²	121.8	86%	0.861	67%	0.671	S	S	*	*			trans	-151.9	159.9	142.8	-101.3	-40.9	0	0	0	109.2	G430	D428-G430 PolarHBondContact O-N 3.2Å; D428-G430 VanDerWaalsContact O-N 3.09Å
429	N	27.4	Very low	35.1	Very low	168 Å²	168	114.5 Å²	114.5	90%	0.898	64%	0.638	S	S	*	*			trans	-73.4	99	-167.3	-67.7	-28.6	0	0	0	113
430	G	28.5	Very low	36.1	Very low	75 Å²	75	114.3 Å²	114.3	77%	0.773	63%	0.63	S	S	*	*			trans	-82.6	112.4	-175.7	0	0	0	0	0	115	D428	D428-G430 PolarHBondContact O-N 3.2Å; D428-G430 VanDerWaalsContact O-N 3.09Å
431	T	28.4	Very low	36.6	Very low	118 Å²	118	107.5 Å²	107.5	72%	0.724	60%	0.596	S	S	*	*			trans	-66.5	139	170.6	42.5	0	0	0	0	112.5	E433	T431-E433 PolarHBondContact O-N 3.46Å
432	T	29.6	Very low	37	Very low	119 Å²	119	109.4 Å²	109.4	73%	0.73	59%	0.593	S	S	*	*			trans	-76.8	84.4	175.1	41.9	0	0	0	0	111.8	N434	T432-N434 PolarHBondContact O-N 3.5Å
433	E	31.5	Very low	37.3	Very low	127 Å²	127	109.8 Å²	109.8	59%	0.593	59%	0.591	S	S	*	*			trans	-67.8	98.1	176.3	-67.2	-164.4	148.1	0	0	112.6	T431 T435	T431-E433 PolarHBondContact O-N 3.46Å; E433-T435 HydrophobicContact CB-CG2 4.13Å; E433-T435 PolarHBondContact O-N 3.31Å
434	N	43.3	Very low	37.9	Very low	80 Å²	80	105.4 Å²	105.4	43%	0.428	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.2	86.4	165.6	-70.9	-41.2	0	0	0	109.8	T432	T432-N434 PolarHBondContact O-N 3.5Å
435	T	48.8	Very low	38.4	Very low	46 Å²	46	96 Å²	96	28%	0.282	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.6	-180	60.8	0	0	0	0	111.8	W405 E433	W405-T435 WeakPolarHBondContact CB-O 3.44Å; W405-T435 PolarHBondContact N-O 2.82Å; W405-T435 PolarHBondContact O-N 2.9Å; E433-T435 HydrophobicContact CB-CG2 4.13Å; E433-T435 PolarHBondContact O-N 3.31Å
436	I	57.5	Low	38.6	Very low	16 Å²	16	92.6 Å²	92.6	8%	0.082	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.6	165.4	-48.9	-179.8	0	0	0	107.7	T349 S358 L360 F390 W402 Q403 F404	T349-I436 HydrophobicContact CG2-CD1 3.56Å; T349-I436 WeakPolarHBondContact OG1-CD1 3.46Å; S358-I436 WeakPolarHBondContact OG-CD1 3.43Å; L360-I436 HydrophobicContact CD1-CB 4.19Å; L360-I436 HydrophobicContact CD1-CD1 4.19Å; L360-I436 HydrophobicContact CD1-CG2 3.77Å; L360-I436 HydrophobicContact CD2-CB 4.17Å; L360-I436 HydrophobicContact CD2-CG2 4.25Å; F390-I436 HydrophobicContact CE1-CD1 4.46Å; F390-I436 HydrophobicContact CE1-CG2 4.18Å; W402-I436 HydrophobicContact CB-CG2 3.89Å; Q403-I436 WeakPolarHBondContact O-CA 3.32Å; F404-I436 HydrophobicContact CD1-CD1 3.88Å; F404-I436 HydrophobicContact CD1-CG1 3.63Å; F404-I436 HydrophobicContact CE1-CD1 3.23Å; F404-I436 HydrophobicContact CE1-CG1 3.56Å; F404-I436 HydrophobicContact CE2-CD1 4.37Å; F404-I436 HydrophobicContact CG-CG1 4.3Å; F404-I436 HydrophobicContact CZ-CD1 3.53Å; F404-I436 HydrophobicContact CZ-CG1 4.18Å
437	K	57.4	Low	39	Very low	119 Å²	119	93.1 Å²	93.1	52%	0.517	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.3	175.6	-63.8	-176	-179.2	178.4	0	110.2	W402 Q403 V439	W402-K437 WeakPolarHBondContact CA-O 3.49Å; Q403-K437 PolarHBondContact N-O 3.06Å; Q403-K437 PolarHBondContact O-N 2.77Å; Q403-K437 VanDerWaalsContact O-N 3.1Å; K437-V439 PolarHBondContact O-N 3.28Å
438	E	57.3	Low	39.4	Very low	81 Å²	81	90.6 Å²	90.6	38%	0.379	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	123.1	161.9	-171.7	169	179.6	0	0	107.2	K400 W402	K400-E438 VanDerWaalsContact CD-OE1 3.29Å; K400-E438 WeakPolarHBondContact CD-OE1 3.46Å; K400-E438 WeakPolarHBondContact CE-OE1 3.5Å; K400-E438 IonicContact NZ-OE1 3.56Å; K400-E438 PolarHBondContact NZ-OE1 2.89Å; K400-E438 IonicContact NZ-OE2 3.72Å; K400-E438 PolarHBondContact NZ-OE2 3.27Å; W402-E438 HydrophobicContact CE3-CB 3.83Å; W402-E438 HydrophobicContact CH2-CB 4.43Å; W402-E438 HydrophobicContact CZ3-CB 3.7Å; W402-E438 HydrophobicContact CZ3-CG 4.41Å
439	V	54.2	Low	39.5	Very low	26 Å²	26	86.1 Å²	86.1	16%	0.158	46%	0.455	C	S	.	.			trans	-83.6	128.8	173.9	-178.3	0	0	0	0	107	W375 C401 Q403 K437 S441	W375-V439 HydrophobicContact CH2-CG1 4Å; W375-V439 HydrophobicContact CH2-CG2 4.28Å; W375-V439 HydrophobicContact CZ2-CB 4.31Å; W375-V439 HydrophobicContact CZ2-CG1 3.95Å; W375-V439 HydrophobicContact CZ2-CG2 3.97Å; C401-V439 PolarHBondContact O-N 3.32Å; C401-V439 VanDerWaalsContact O-N 3.08Å; Q403-V439 HydrophobicContact CB-CG2 3.37Å; Q403-V439 HydrophobicContact CG-CG2 4.39Å; K437-V439 PolarHBondContact O-N 3.28Å; V439-S441 PolarHBondContact O-N 2.96Å
440	D	46.5	Very low	39.8	Very low	97 Å²	97	80.6 Å²	80.6	52%	0.519	43%	0.429	S	S	.	.			trans	-52.1	112.4	176.6	-171.7	-12.3	0	0	0	109.1	R442	D440-R442 PolarHBondContact O-N 3.47Å; D440-R442 WeakPolarHBondContact OD1-CB 3.28Å; D440-R442 VanDerWaalsContact OD1-CD 3.22Å; D440-R442 WeakPolarHBondContact OD1-CD 3.15Å; D440-R442 WeakPolarHBondContact OD1-CG 3.2Å; D440-R442 PolarHBondContact OD1-N 2.91Å; D440-R442 IonicContact OD1-NE 3.66Å; D440-R442 IonicContact OD2-NH1 3.2Å
441	S	40.4	Very low	40	Very low	26 Å²	26	80.3 Å²	80.3	18%	0.182	41%	0.407	C	S	.	.	H	α-helix	trans	-62.6	-16.3	-170	49.7	0	0	0	0	112.2	V439 Q443 L445 M446	V439-S441 PolarHBondContact O-N 2.96Å; S441-Q443 PolarHBondContact O-N 3.36Å; S441-L445 CarbonylContact O-C 3.58Å; S441-L445 VanDerWaalsContact O-CA 3.28Å; S441-L445 WeakPolarHBondContact O-CA 3.32Å; S441-L445 WeakPolarHBondContact O-CB 3.25Å; S441-L445 PolarHBondContact O-N 2.8Å; S441-M446 PolarHBondContact O-N 3.35Å; S441-M446 VanDerWaalsContact O-N 3.14Å
442	R	32.1	Very low	40.4	Very low	182 Å²	182	78.7 Å²	78.7	69%	0.687	39%	0.393	S	S	*	.	H	α-helix	trans	-65.4	6.2	-178.4	-63.6	170.2	-178.5	165	-4.4	116.4	D440 M446	D440-R442 PolarHBondContact O-N 3.47Å; D440-R442 WeakPolarHBondContact OD1-CB 3.28Å; D440-R442 VanDerWaalsContact OD1-CD 3.22Å; D440-R442 WeakPolarHBondContact OD1-CD 3.15Å; D440-R442 WeakPolarHBondContact OD1-CG 3.2Å; D440-R442 PolarHBondContact OD1-N 2.91Å; D440-R442 IonicContact OD1-NE 3.66Å; D440-R442 IonicContact OD2-NH1 3.2Å; R442-M446 VanDerWaalsContact C-CG 3.47Å; R442-M446 WeakPolarHBondContact O-CG 3.22Å
443	Q	34.4	Very low	40.5	Very low	162 Å²	162	79 Å²	79	76%	0.757	39%	0.389	S	S	*	.	H	α-helix	trans	-131.7	-55.2	164.3	-75.3	-168.9	-14.5	0	0	113.8	S441 M446	S441-Q443 PolarHBondContact O-N 3.36Å; Q443-M446 PolarHBondContact O-N 3.27Å
444	T	37.2	Very low	40.5	Very low	27 Å²	27	76.1 Å²	76.1	17%	0.166	38%	0.383	C	S	.	.	H	α-helix	trans	-72.5	-35.8	-178.2	-43.4	0	0	0	0	112.2	W375 I378	W375-T444 HydrophobicContact CZ2-CG2 4.11Å; W375-T444 WeakPolarHBondContact CZ2-OG1 3.24Å; I378-T444 HydrophobicContact CD1-CG2 4.24Å; I378-T444 HydrophobicContact CG2-CG2 4.28Å
445	L	40.1	Very low	39.9	Very low	13 Å²	13	75.6 Å²	75.6	7%	0.068	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.5	176.3	-99.7	166.1	0	0	0	112.6	M399 C401 S441 N447 L448 Y449	M399-L445 HydrophobicContact CE-CD2 3.92Å; C401-L445 HydrophobicContact CB-CD1 3.98Å; S441-L445 CarbonylContact O-C 3.58Å; S441-L445 VanDerWaalsContact O-CA 3.28Å; S441-L445 WeakPolarHBondContact O-CA 3.32Å; S441-L445 WeakPolarHBondContact O-CB 3.25Å; S441-L445 PolarHBondContact O-N 2.8Å; L445-N447 PolarHBondContact O-N 2.78Å; L445-N447 VanDerWaalsContact O-N 3.16Å; L445-L448 HydrophobicContact CD2-CB 4.04Å; L445-L448 HydrophobicContact CD2-CD1 3.88Å; L445-L448 CarbonylContact O-C 3.48Å; L445-L448 PolarHBondContact O-N 2.82Å; L445-Y449 HydrophobicContact CB-CD2 3.9Å; L445-Y449 HydrophobicContact CB-CE2 4.32Å; L445-Y449 HydrophobicContact CD1-CD2 4.41Å; L445-Y449 HydrophobicContact CD1-CE2 4Å; L445-Y449 HydrophobicContact CD2-CD2 3.96Å; L445-Y449 HydrophobicContact CD2-CE2 4.09Å; L445-Y449 HydrophobicContact CG-CD2 4.31Å; L445-Y449 HydrophobicContact CG-CE2 4.37Å; L445-Y449 PolarHBondContact O-N 3.43Å
446	M	33.7	Very low	38.8	Very low	91 Å²	91	83.1 Å²	83.1	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-57.7	-30.8	-178.6	-111.1	-67.8	-158.3	0	0	113.3	S441 R442 Q443 L448 S450	S441-M446 PolarHBondContact O-N 3.35Å; S441-M446 VanDerWaalsContact O-N 3.14Å; R442-M446 VanDerWaalsContact C-CG 3.47Å; R442-M446 WeakPolarHBondContact O-CG 3.22Å; Q443-M446 PolarHBondContact O-N 3.27Å; M446-L448 VanDerWaalsContact C-N 3.26Å; M446-L448 PolarHBondContact O-N 2.91Å; M446-S450 WeakPolarHBondContact O-CA 3.31Å; M446-S450 WeakPolarHBondContact O-CB 3.36Å; M446-S450 PolarHBondContact O-N 3.45Å; M446-S450 PolarHBondContact O-OG 3.36Å
447	N	34.6	Very low	37.4	Very low	120 Å²	120	87 Å²	87	64%	0.642	44%	0.437	S	S	*	.	H	α-helix	trans	-69.5	-23	176.4	-71.6	-8.9	0	0	0	113.2	L445	L445-N447 PolarHBondContact O-N 2.78Å; L445-N447 VanDerWaalsContact O-N 3.16Å
448	L	35	Very low	35.8	Very low	49 Å²	49	87.8 Å²	87.8	26%	0.257	46%	0.457	S	S	.	.	H	α-helix	trans	-92.1	-53.4	171.7	-82.5	144.1	0	0	0	110.7	M399 L445 M446 S450 K451 I452 I478	M399-L448 HydrophobicContact CE-CD1 4.26Å; L445-L448 HydrophobicContact CD2-CB 4.04Å; L445-L448 HydrophobicContact CD2-CD1 3.88Å; L445-L448 CarbonylContact O-C 3.48Å; L445-L448 PolarHBondContact O-N 2.82Å; M446-L448 VanDerWaalsContact C-N 3.26Å; M446-L448 PolarHBondContact O-N 2.91Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 2.78Å; L448-K451 PolarHBondContact O-N 2.85Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 2.85Å; L448-I478 HydrophobicContact CD2-CD1 4.31Å
449	Y	32.8	Very low	34.3	Very low	67 Å²	67	87.7 Å²	87.7	26%	0.263	47%	0.47	S	S	.	.	H	α-helix	trans	-61.8	-32.9	-179.1	-93.6	-112.6	0	0	0	113.5	M399 L445 I452 L453	M399-Y449 PolarHBondContact O-OH 3.09Å; L445-Y449 HydrophobicContact CB-CD2 3.9Å; L445-Y449 HydrophobicContact CB-CE2 4.32Å; L445-Y449 HydrophobicContact CD1-CD2 4.41Å; L445-Y449 HydrophobicContact CD1-CE2 4Å; L445-Y449 HydrophobicContact CD2-CD2 3.96Å; L445-Y449 HydrophobicContact CD2-CE2 4.09Å; L445-Y449 HydrophobicContact CG-CD2 4.31Å; L445-Y449 HydrophobicContact CG-CE2 4.37Å; L445-Y449 PolarHBondContact O-N 3.43Å; Y449-I452 PolarHBondContact O-N 3.31Å; Y449-L453 HydrophobicContact CD1-CD1 3.93Å; Y449-L453 WeakPolarHBondContact O-CB 3.39Å; Y449-L453 PolarHBondContact O-N 3.04Å
450	S	33	Very low	32.9	Very low	52 Å²	52	91.1 Å²	91.1	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-71.9	-31.3	178.1	65.3	0	0	0	0	113.1	M446 L448 S454	M446-S450 WeakPolarHBondContact O-CA 3.31Å; M446-S450 WeakPolarHBondContact O-CB 3.36Å; M446-S450 PolarHBondContact O-N 3.45Å; M446-S450 PolarHBondContact O-OG 3.36Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 2.78Å; S450-S454 WeakPolarHBondContact O-CB 3.46Å; S450-S454 PolarHBondContact O-N 2.97Å; S450-S454 VanDerWaalsContact O-N 3.13Å; S450-S454 PolarHBondContact O-OG 1.76Å
451	K	32.4	Very low	32	Very low	68 Å²	68	92.4 Å²	92.4	30%	0.296	50%	0.502	S	S	.	.	H	α-helix	trans	-71.2	-43	168.7	-77.9	-166.2	164.8	-161.1	0	111.3	L448 L453 S508 E1893	L448-K451 PolarHBondContact O-N 2.85Å; K451-L453 VanDerWaalsContact C-N 3.31Å; K451-L453 PolarHBondContact O-N 2.88Å; K451-S508 PolarHBondContact NZ-O 2.67Å; K451-E1893 VanDerWaalsContact CD-OE1 3.26Å; K451-E1893 WeakPolarHBondContact CD-OE1 3.38Å; K451-E1893 WeakPolarHBondContact CE-OE1 3.31Å; K451-E1893 IonicContact NZ-OE1 3.45Å; K451-E1893 PolarHBondContact NZ-OE1 3.17Å; K451-E1893 IonicContact NZ-OE2 3.12Å; K451-E1893 PolarHBondContact NZ-OE2 3.05Å
452	I	36.4	Very low	31.7	Very low	85 Å²	85	94.4 Å²	94.4	44%	0.436	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-24.1	-179.3	-65.3	166.1	0	0	0	113.6	L448 Y449 W505	L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 2.85Å; Y449-I452 PolarHBondContact O-N 3.31Å; I452-W505 HydrophobicContact CG1-CH2 4.4Å; I452-W505 HydrophobicContact CG1-CZ3 4.02Å
453	L	31.7	Very low	31.9	Very low	124 Å²	124	91.1 Å²	91.1	65%	0.649	51%	0.513	S	S	*	.	H	α-helix	trans	-122.3	3.8	-175.9	-80.4	159.3	0	0	0	116.3	Y449 K451	Y449-L453 HydrophobicContact CD1-CD1 3.93Å; Y449-L453 WeakPolarHBondContact O-CB 3.39Å; Y449-L453 PolarHBondContact O-N 3.04Å; K451-L453 VanDerWaalsContact C-N 3.31Å; K451-L453 PolarHBondContact O-N 2.88Å
454	S	32.2	Very low	32.5	Very low	67 Å²	67	88.4 Å²	88.4	47%	0.469	50%	0.5	S	S	.	.	H	α-helix	trans	-86	-17.9	177.2	55.3	0	0	0	0	114.4	S450 K456	S450-S454 WeakPolarHBondContact O-CB 3.46Å; S450-S454 PolarHBondContact O-N 2.97Å; S450-S454 VanDerWaalsContact O-N 3.13Å; S450-S454 PolarHBondContact O-OG 1.76Å; S454-K456 VanDerWaalsContact C-N 3.28Å; S454-K456 PolarHBondContact O-N 3.49Å
455	T	29.7	Very low	33	Very low	69 Å²	69	90.3 Å²	90.3	42%	0.423	51%	0.512	S	S	.	.			trans	-70.2	77.2	174.4	37.6	0	0	0	0	112	T457 D1892	T455-T457 PolarHBondContact O-N 2.73Å; T455-D1892 HydrophobicContact CG2-CB 3.89Å
456	K	26.4	Very low	33.5	Very low	205 Å²	205	90.6 Å²	90.6	89%	0.891	51%	0.513	S	S	*	.			trans	-74.9	61.4	167.7	-78.6	-169.8	172.8	-177.3	0	112	S454	S454-K456 VanDerWaalsContact C-N 3.28Å; S454-K456 PolarHBondContact O-N 3.49Å
457	T	27.2	Very low	34.4	Very low	98 Å²	98	90 Å²	90	60%	0.601	51%	0.509	S	S	*	.	S	Bend	trans	-120.5	137.6	168.2	32.2	0	0	0	0	108.6	T455 A459	T455-T457 PolarHBondContact O-N 2.73Å; T457-A459 PolarHBondContact O-N 3.24Å
458	S	24.9	Very low	35.2	Very low	134 Å²	134	85.7 Å²	85.7	94%	0.937	49%	0.486	S	S	*	.	S	Bend	trans	-84.2	80.8	-160.2	54.9	0	0	0	0	113.5
459	A	25.4	Very low	36	Very low	79 Å²	79	83.4 Å²	83.4	65%	0.653	47%	0.474	S	S	*	.			trans	-135.3	78.9	168	0	0	0	0	0	110.3	T457	T457-A459 PolarHBondContact O-N 3.24Å
460	S	24.6	Very low	36.9	Very low	98 Å²	98	82.2 Å²	82.2	69%	0.685	47%	0.474	S	S	*	.			trans	-76.6	140.2	175.5	52.9	0	0	0	0	111.8
461	N	27.8	Very low	37.7	Very low	125 Å²	125	80.9 Å²	80.9	67%	0.668	46%	0.463	S	S	*	.	S	Bend	trans	97.1	-9.5	161.9	-49	-12.6	0	0	0	119.5	V463 H464	N461-V463 PolarHBondContact O-N 2.83Å; N461-H464 PolarHBondContact O-CE1 2.83Å; N461-H464 PolarHBondContact O-ND1 2.46Å; N461-H464 PolarHBondContact O-NE2 3.15Å
462	T	34	Very low	38.6	Very low	67 Å²	67	79.7 Å²	79.7	41%	0.411	46%	0.458	S	S	.	.			trans	-78.8	-14.1	-160.8	51.7	0	0	0	0	118.5	H464	T462-H464 PolarHBondContact O-N 3.02Å
463	V	35.5	Very low	39	Very low	114 Å²	114	83.7 Å²	83.7	69%	0.691	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	110.2	174.2	-175.2	0	0	0	0	109	N461	N461-V463 PolarHBondContact O-N 2.83Å
464	H	48.7	Very low	39.4	Very low	104 Å²	104	81.9 Å²	81.9	48%	0.481	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.9	-176.3	-81.3	-7.9	0	0	0	110.9	N461 T462 V483	N461-H464 PolarHBondContact O-CE1 2.83Å; N461-H464 PolarHBondContact O-ND1 2.46Å; N461-H464 PolarHBondContact O-NE2 3.15Å; T462-H464 PolarHBondContact O-N 3.02Å; H464-V483 PolarHBondContact N-O 3.01Å; H464-V483 VanDerWaalsContact N-O 3.16Å
465	T	47.4	Very low	40	Very low	68 Å²	68	80.5 Å²	80.5	42%	0.417	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.8	114.2	-173.4	33.7	0	0	0	0	115.1	H467 V483	T465-H467 PolarHBondContact O-CD2 2.99Å; T465-V483 PolarHBondContact O-N 3.31Å
466	I	50	Low	40.6	Very low	19 Å²	19	78.1 Å²	78.1	10%	0.097	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.9	159.3	-49.8	169.5	0	0	0	107.1	I368 I393 I469 V481	I368-I466 HydrophobicContact CD1-CB 3.85Å; I368-I466 HydrophobicContact CD1-CG2 4.28Å; I368-I466 VanDerWaalsContact CD1-O 3.22Å; I368-I466 WeakPolarHBondContact CD1-O 3.39Å; I393-I466 HydrophobicContact CG2-CD1 4.49Å; I466-I469 HydrophobicContact CD1-CD1 4.21Å; I466-I469 HydrophobicContact CG2-CD1 3.7Å; I466-I469 HydrophobicContact CG2-CG1 3.49Å; I466-I469 VanDerWaalsContact CG2-CG1 3.49Å; I466-V481 WeakPolarHBondContact CA-O 3.46Å; I466-V481 WeakPolarHBondContact CG2-O 3.42Å
467	H	52.6	Low	41.6	Very low	77 Å²	77	69.5 Å²	69.5	36%	0.356	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-42.8	-177	-80.6	-110.4	0	0	0	112.7	T465 V481 V483	T465-H467 PolarHBondContact O-CD2 2.99Å; H467-V481 HydrophobicContact CB-CG1 4.43Å; H467-V481 PolarHBondContact N-O 3.49Å; H467-V483 WeakPolarHBondContact NE2-CG2 3.5Å
468	D	51	Low	42.7	Very low	30 Å²	30	65.6 Å²	65.6	16%	0.16	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.9	-178.8	-166.5	3.3	0	0	0	110.4	V481 I524	D468-V481 HydrophobicContact CB-CB 4.23Å; D468-V481 HydrophobicContact CB-CG2 4.01Å; D468-V481 PolarHBondContact O-N 2.82Å; D468-I524 PolarHBondContact OD2-N 2.93Å
469	I	52.1	Low	44	Very low	1 Å²	1	59.8 Å²	59.8	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	119.7	-178.8	-52.3	176.8	0	0	0	111.1	H369 I393 I466 V471 I478 V479 L480	H369-I469 HydrophobicContact CB-CB 4.49Å; H369-I469 PolarHBondContact ND1-O 2.96Å; I393-I469 HydrophobicContact CB-CD1 3.68Å; I393-I469 HydrophobicContact CD1-CB 4.34Å; I393-I469 HydrophobicContact CD1-CD1 3.56Å; I393-I469 HydrophobicContact CD1-CG2 3.71Å; I393-I469 HydrophobicContact CG1-CD1 4.2Å; I393-I469 HydrophobicContact CG2-CD1 3.34Å; I466-I469 HydrophobicContact CD1-CD1 4.21Å; I466-I469 HydrophobicContact CG2-CD1 3.7Å; I466-I469 HydrophobicContact CG2-CG1 3.49Å; I466-I469 VanDerWaalsContact CG2-CG1 3.49Å; I469-V471 HydrophobicContact CG2-CG2 4.24Å; I469-I478 HydrophobicContact CG2-CG2 3.91Å; I469-V479 WeakPolarHBondContact CA-O 3.24Å; I469-L480 HydrophobicContact CB-CD2 4.29Å; I469-L480 HydrophobicContact CD1-CD2 3.78Å; I469-L480 HydrophobicContact CG1-CD2 3.71Å; I469-L480 HydrophobicContact CG2-CD2 3.75Å
470	T	52.2	Low	45.1	Very low	42 Å²	42	57.9 Å²	57.9	26%	0.258	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.9	167.2	-68.7	0	0	0	0	110.9	V479 F526	T470-V479 PolarHBondContact N-O 2.9Å; T470-V479 VanDerWaalsContact N-O 3.15Å; T470-V479 PolarHBondContact O-N 2.71Å; T470-F526 HydrophobicContact CG2-CD2 3.57Å; T470-F526 HydrophobicContact CG2-CE2 3.95Å; T470-F526 HydrophobicContact CG2-CG 4.07Å; T470-F526 WeakPolarHBondContact OG1-CD2 3.33Å; T470-F526 WeakPolarHBondContact OG1-CE2 3.3Å
471	V	49.7	Very low	46.4	Very low	24 Å²	24	53.4 Å²	53.4	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.8	173.4	-177.2	0	0	0	0	109.3	I469 R473 E477 I478	I469-V471 HydrophobicContact CG2-CG2 4.24Å; V471-R473 PolarHBondContact O-N 2.81Å; V471-E477 CarbonylContact C-O 3.07Å; V471-E477 WeakPolarHBondContact CA-O 3.44Å; V471-I478 HydrophobicContact CG1-CG1 4.34Å; V471-I478 HydrophobicContact CG2-CG1 4.2Å; V471-I478 HydrophobicContact CG2-CG2 4.29Å
472	K	50.3	Low	47.4	Very low	44 Å²	44	48.4 Å²	48.4	19%	0.191	26%	0.259	C	S	.	.			trans	-71.9	108.4	177.7	-176.7	171.5	150.6	-156.9	0	108.5	D474 T475 G476 E477 D552	K472-D474 PolarHBondContact O-N 2.9Å; K472-T475 HydrophobicContact CD-CG2 4.43Å; K472-T475 WeakPolarHBondContact CD-OG1 3.31Å; K472-T475 WeakPolarHBondContact CE-OG1 2.97Å; K472-T475 VanDerWaalsContact CG-OG1 3.26Å; K472-T475 WeakPolarHBondContact CG-OG1 3.29Å; K472-T475 PolarHBondContact O-N 3Å; K472-G476 WeakPolarHBondContact O-CA 3.47Å; K472-G476 PolarHBondContact O-N 2.95Å; K472-E477 HydrophobicContact CB-CB 4.31Å; K472-E477 VanDerWaalsContact CD-OE2 3.3Å; K472-E477 WeakPolarHBondContact CD-OE2 3.12Å; K472-E477 WeakPolarHBondContact CE-OE2 3.29Å; K472-E477 PolarHBondContact N-O 2.88Å; K472-E477 IonicContact NZ-OE2 3.95Å; K472-E477 PolarHBondContact NZ-OE2 3.31Å; K472-D552 IonicContact NZ-OD1 3.55Å; K472-D552 PolarHBondContact NZ-OD1 2.78Å
473	R	45.1	Very low	47.8	Very low	169 Å²	169	46.2 Å²	46.2	64%	0.638	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.6	-170.4	-76	-177.8	176.9	165.5	0.7	115	V471	V471-R473 PolarHBondContact O-N 2.81Å
474	D	40.8	Very low	48	Very low	85 Å²	85	44.3 Å²	44.3	46%	0.455	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-30.6	-167.2	-53.3	-6.7	0	0	0	112.4	L377 K472 R528	L377-D474 WeakPolarHBondContact CD1-O 3.21Å; K472-D474 PolarHBondContact O-N 2.9Å; D474-R528 IonicContact OD2-CZ 3.64Å; D474-R528 IonicContact OD2-NH1 2.82Å; D474-R528 PolarHBondContact OD2-NH1 3.14Å; D474-R528 IonicContact OD2-NH2 2.64Å; D474-R528 PolarHBondContact OD2-NH2 3.43Å
475	T	44.5	Very low	47.4	Very low	39 Å²	39	40.8 Å²	40.8	24%	0.239	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-15.9	179.5	52.9	0	0	0	0	113.4	K472 E477 I507	K472-T475 HydrophobicContact CD-CG2 4.43Å; K472-T475 WeakPolarHBondContact CD-OG1 3.31Å; K472-T475 WeakPolarHBondContact CE-OG1 2.97Å; K472-T475 VanDerWaalsContact CG-OG1 3.26Å; K472-T475 WeakPolarHBondContact CG-OG1 3.29Å; K472-T475 PolarHBondContact O-N 3Å; T475-E477 VanDerWaalsContact CB-OE2 3.24Å; T475-E477 WeakPolarHBondContact CB-OE2 3.47Å; T475-E477 PolarHBondContact O-N 2.95Å; T475-E477 WeakPolarHBondContact OG1-CG 3.04Å; T475-E477 PolarHBondContact OG1-OE2 3.45Å; T475-I507 WeakPolarHBondContact O-CD1 3.15Å
476	G	43.2	Very low	46.8	Very low	18 Å²	18	43.7 Å²	43.7	19%	0.186	24%	0.241	C	C	.	.			trans	70.7	11.7	-175.1	0	0	0	0	0	114.6	K472	K472-G476 WeakPolarHBondContact O-CA 3.47Å; K472-G476 PolarHBondContact O-N 2.95Å
477	E	46.3	Very low	45.9	Very low	24 Å²	24	47.9 Å²	47.9	11%	0.112	26%	0.263	C	S	.	.			trans	-64.6	138.1	173.9	-66.2	166.6	112.5	0	0	110.5	V471 K472 T475 H504	V471-E477 CarbonylContact C-O 3.07Å; V471-E477 WeakPolarHBondContact CA-O 3.44Å; K472-E477 HydrophobicContact CB-CB 4.31Å; K472-E477 VanDerWaalsContact CD-OE2 3.3Å; K472-E477 WeakPolarHBondContact CD-OE2 3.12Å; K472-E477 WeakPolarHBondContact CE-OE2 3.29Å; K472-E477 PolarHBondContact N-O 2.88Å; K472-E477 IonicContact NZ-OE2 3.95Å; K472-E477 PolarHBondContact NZ-OE2 3.31Å; T475-E477 VanDerWaalsContact CB-OE2 3.24Å; T475-E477 WeakPolarHBondContact CB-OE2 3.47Å; T475-E477 PolarHBondContact O-N 2.95Å; T475-E477 WeakPolarHBondContact OG1-CG 3.04Å; T475-E477 PolarHBondContact OG1-OE2 3.45Å; E477-H504 IonicContact OE1-NE2 2.78Å; E477-H504 PolarHBondContact OE1-NE2 2.8Å; E477-H504 VanDerWaalsContact OE1-NE2 3.11Å
478	I	50.2	Low	44.8	Very low	16 Å²	16	50.1 Å²	50.1	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.1	-175.7	-53	-178.3	0	0	0	108.5	M399 L448 I469 V471 L480 W505	M399-I478 HydrophobicContact CE-CD1 3.86Å; M399-I478 HydrophobicContact SD-CD1 4.08Å; L448-I478 HydrophobicContact CD2-CD1 4.31Å; I469-I478 HydrophobicContact CG2-CG2 3.91Å; V471-I478 HydrophobicContact CG1-CG1 4.34Å; V471-I478 HydrophobicContact CG2-CG1 4.2Å; V471-I478 HydrophobicContact CG2-CG2 4.29Å; I478-L480 HydrophobicContact CG2-CD2 3.69Å; I478-L480 HydrophobicContact CG2-CG 4.09Å; I478-W505 HydrophobicContact CB-CB 4.45Å; I478-W505 PolarHBondContact N-O 3.39Å; I478-W505 CarbonylContact O-C 3.55Å; I478-W505 WeakPolarHBondContact O-CA 3.36Å; I478-W505 WeakPolarHBondContact O-CB 3.28Å; I478-W505 PolarHBondContact O-N 2.73Å; I478-W505 VanDerWaalsContact O-O 3.12Å
479	V	51.6	Low	43.7	Very low	12 Å²	12	53.3 Å²	53.3	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.6	171.5	-163.3	0	0	0	0	108.2	I469 T470 L502 E503 F526	I469-V479 WeakPolarHBondContact CA-O 3.24Å; T470-V479 PolarHBondContact N-O 2.9Å; T470-V479 VanDerWaalsContact N-O 3.15Å; T470-V479 PolarHBondContact O-N 2.71Å; V479-L502 HydrophobicContact CG1-CD1 3.65Å; V479-L502 HydrophobicContact CG1-CG 4.34Å; V479-E503 WeakPolarHBondContact CA-O 3.35Å; V479-E503 VanDerWaalsContact CG1-O 3.22Å; V479-E503 WeakPolarHBondContact CG1-O 3.07Å; V479-F526 HydrophobicContact CB-CZ 3.95Å; V479-F526 HydrophobicContact CG1-CZ 4.01Å; V479-F526 HydrophobicContact CG2-CE1 4.1Å; V479-F526 HydrophobicContact CG2-CZ 3.8Å
480	L	50.3	Low	42.4	Very low	40 Å²	40	58.6 Å²	58.6	21%	0.209	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.2	-175.5	-60	179.3	0	0	0	110	I469 I478 E503 W505	I469-L480 HydrophobicContact CB-CD2 4.29Å; I469-L480 HydrophobicContact CD1-CD2 3.78Å; I469-L480 HydrophobicContact CG1-CD2 3.71Å; I469-L480 HydrophobicContact CG2-CD2 3.75Å; I478-L480 HydrophobicContact CG2-CD2 3.69Å; I478-L480 HydrophobicContact CG2-CG 4.09Å; L480-E503 PolarHBondContact N-O 3.1Å; L480-E503 PolarHBondContact O-N 3.45Å; L480-W505 HydrophobicContact CD1-CG 4.36Å
481	V	51.7	Low	41.2	Very low	4 Å²	4	65.1 Å²	65.1	2%	0.024	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.8	169.7	-170.9	0	0	0	0	108.3	I466 H467 D468 L502 V521 I524	I466-V481 WeakPolarHBondContact CA-O 3.46Å; I466-V481 WeakPolarHBondContact CG2-O 3.42Å; H467-V481 HydrophobicContact CB-CG1 4.43Å; H467-V481 PolarHBondContact N-O 3.49Å; D468-V481 HydrophobicContact CB-CB 4.23Å; D468-V481 HydrophobicContact CB-CG2 4.01Å; D468-V481 PolarHBondContact O-N 2.82Å; V481-L502 HydrophobicContact CG2-CD1 3.98Å; V481-V521 HydrophobicContact CG1-CB 4.11Å; V481-V521 HydrophobicContact CG1-CG1 4.05Å; V481-I524 HydrophobicContact CG2-CD1 3.37Å; V481-I524 HydrophobicContact CG2-CG1 4.11Å
482	G	48.9	Very low	40.2	Very low	20 Å²	20	71.2 Å²	71.2	21%	0.206	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.2	-175.7	0	0	0	0	0	112.9
483	V	42.1	Very low	39.1	Very low	21 Å²	21	78 Å²	78	13%	0.127	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.8	171	172.1	0	0	0	0	110	H464 T465 H467 Y500	H464-V483 PolarHBondContact N-O 3.01Å; H464-V483 VanDerWaalsContact N-O 3.16Å; T465-V483 PolarHBondContact O-N 3.31Å; H467-V483 WeakPolarHBondContact NE2-CG2 3.5Å; V483-Y500 HydrophobicContact CG2-CD1 3.62Å; V483-Y500 HydrophobicContact CG2-CE1 3.25Å
484	C	39.1	Very low	38.4	Very low	74 Å²	74	76.2 Å²	76.2	50%	0.5	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.7	169	-169.6	0	0	0	0	108.8	Y501	C484-Y501 HydrophobicContact CB-CE2 4.4Å
485	G	36.3	Very low	37.9	Very low	30 Å²	30	81.5 Å²	81.5	31%	0.309	45%	0.452	S	S	.	.			trans	-113.6	126.7	-178.1	0	0	0	0	0	112.2
486	D	34	Very low	37.1	Very low	128 Å²	128	84.4 Å²	84.4	68%	0.684	47%	0.473	S	S	*	.			trans	57.1	119.1	179.8	-66.1	-26.7	0	0	0	116.7
487	I	31.9	Very low	36.8	Very low	108 Å²	108	89.9 Å²	89.9	55%	0.554	49%	0.494	S	S	*	.				63.2	70.6	55	-48.8	167.5	0	0	0	111.6	C496	I487-C496 HydrophobicContact CD1-CB 4.02Å
488	S	29.7	Very low	36.6	Very low	124 Å²	124	95 Å²	95	87%	0.867	52%	0.518	S	S	*	.	S	Bend	trans	-107.6	30.2	173.9	49.1	0	0	0	0	114.2
489	S	27.3	Very low	36	Very low	97 Å²	97	99 Å²	99	68%	0.678	54%	0.536	S	S	*	.	S	Bend	trans	-137.6	59.5	165.3	55	0	0	0	0	112	K491	S489-K491 PolarHBondContact O-N 2.89Å
490	C	24.4	Very low	35.8	Very low	112 Å²	112	99 Å²	99	76%	0.757	54%	0.535	S	S	*	.			trans	-62.6	117.8	-177.6	-178.5	0	0	0	0	113.5
491	K	27.2	Very low	35.5	Very low	179 Å²	179	100 Å²	100	78%	0.778	54%	0.536	S	S	*	.			trans	-168.1	150.7	143.5	-111.1	161.8	-172.5	175.5	0	112.3	S489	S489-K491 PolarHBondContact O-N 2.89Å
492	I	28.3	Very low	35.4	Very low	152 Å²	152	100 Å²	100	78%	0.779	54%	0.536	S	S	*	.	S	Bend	trans	74.4	136.1	176.9	-55.3	169.3	0	0	0	113.7
493	H	27.1	Very low	35.5	Very low	185 Å²	185	102.6 Å²	102.6	86%	0.856	54%	0.543	S	S	*	.			trans	-91.4	123.3	-176.1	-70.3	-101.9	0	0	0	111
494	E	31.5	Very low	35.8	Very low	132 Å²	132	102.9 Å²	102.9	62%	0.617	54%	0.543	S	S	*	.	S	Bend		-167.3	121.5	129.1	-109.6	170.7	-158.5	0	0	111.5	C496 I1295	E494-C496 PolarHBondContact O-N 2.8Å; E494-I1295 HydrophobicContact CB-CD1 3.99Å; E494-I1295 WeakPolarHBondContact OE2-CD1 3.37Å
495	K	29.4	Very low	36.2	Very low	196 Å²	196	102 Å²	102	85%	0.852	53%	0.529	S	S	*	.			trans	22.4	85.1	170.6	-66.4	-179.6	178.1	177.3	0	116.9	Q497	K495-Q497 PolarHBondContact O-N 3.29Å
496	C	29.1	Very low	36.3	Very low	101 Å²	101	101.6 Å²	101.6	68%	0.682	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-60.7	123.4	162.7	-58.5	0	0	0	0	109.8	I487 E494	I487-C496 HydrophobicContact CD1-CB 4.02Å; E494-C496 PolarHBondContact O-N 2.8Å
497	Q	36.9	Very low	36.5	Very low	133 Å²	133	99.8 Å²	99.8	62%	0.621	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-81	140.6	168.6	-66.9	-177.3	-111	0	0	108.7	K495	K495-Q497 PolarHBondContact O-N 3.29Å
498	Q	40.7	Very low	36.6	Very low	131 Å²	131	98 Å²	98	61%	0.612	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-82.9	117.2	169.1	-68.8	176	-21.3	0	0	108	Y500	Q498-Y500 HydrophobicContact CB-CE2 3.74Å; Q498-Y500 WeakPolarHBondContact O-CD2 3.44Å; Q498-Y500 PolarHBondContact OE1-OH 3.14Å
499	E	39.4	Very low	36.9	Very low	99 Å²	99	95.7 Å²	95.7	46%	0.463	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-94.2	138.9	177.5	-68.5	180	-172.8	0	0	110.4	Y501	E499-Y501 HydrophobicContact CB-CE1 4.32Å; E499-Y501 HydrophobicContact CB-CE2 4.15Å; E499-Y501 WeakPolarHBondContact CB-OH 3.49Å; E499-Y501 PolarHBondContact OE2-OH 3.42Å
500	Y	47.5	Very low	37.3	Very low	12 Å²	12	92.8 Å²	92.8	5%	0.047	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.4	-176	-72.2	-105.7	0	0	0	109.5	V483 Q498 F517 I520	V483-Y500 HydrophobicContact CG2-CD1 3.62Å; V483-Y500 HydrophobicContact CG2-CE1 3.25Å; Q498-Y500 HydrophobicContact CB-CE2 3.74Å; Q498-Y500 WeakPolarHBondContact O-CD2 3.44Å; Q498-Y500 PolarHBondContact OE1-OH 3.14Å; Y500-F517 PolarHBondContact N-O 3.19Å; Y500-F517 PolarHBondContact O-N 3.25Å; Y500-I520 HydrophobicContact CD1-CG2 4.4Å; Y500-I520 HydrophobicContact CD2-CG1 4.49Å; Y500-I520 HydrophobicContact CE1-CB 4.22Å; Y500-I520 HydrophobicContact CE1-CG1 4.45Å; Y500-I520 HydrophobicContact CE1-CG2 3.7Å; Y500-I520 HydrophobicContact CE2-CB 4.14Å; Y500-I520 HydrophobicContact CE2-CG1 3.69Å; Y500-I520 HydrophobicContact CE2-CG2 4.46Å
501	Y	43.3	Very low	38.1	Very low	63 Å²	63	90.1 Å²	90.1	25%	0.247	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.4	-173.3	-53.4	-75.8	0	0	0	111.4	C484 E499 P513 E516	C484-Y501 HydrophobicContact CB-CE2 4.4Å; E499-Y501 HydrophobicContact CB-CE1 4.32Å; E499-Y501 HydrophobicContact CB-CE2 4.15Å; E499-Y501 WeakPolarHBondContact CB-OH 3.49Å; E499-Y501 PolarHBondContact OE2-OH 3.42Å; Y501-P513 HydrophobicContact CD1-CB 4.37Å; Y501-E516 HydrophobicContact CD1-CG 3.98Å; Y501-E516 HydrophobicContact CE1-CG 4.03Å
502	L	50	Low	38.8	Very low	4 Å²	4	86.2 Å²	86.2	2%	0.021	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.7	172.1	-180	63.1	0	0	0	110.3	V479 V481 P513 M514 A515 F517 I524 L572	V479-L502 HydrophobicContact CG1-CD1 3.65Å; V479-L502 HydrophobicContact CG1-CG 4.34Å; V481-L502 HydrophobicContact CG2-CD1 3.98Å; L502-P513 CarbonylContact O-C 3.47Å; L502-P513 WeakPolarHBondContact O-CA 3.25Å; L502-M514 HydrophobicContact CB-CB 4.46Å; L502-M514 HydrophobicContact CD2-CB 4.17Å; L502-M514 HydrophobicContact CD2-SD 3.98Å; L502-M514 HydrophobicContact CG-CB 4.28Å; L502-M514 HydrophobicContact CG-CG 4.41Å; L502-M514 HydrophobicContact CG-SD 4.19Å; L502-M514 PolarHBondContact O-N 2.75Å; L502-A515 PolarHBondContact N-O 2.78Å; L502-F517 HydrophobicContact CB-CE2 4.27Å; L502-I524 HydrophobicContact CD1-CD1 3.46Å; L502-I524 VanDerWaalsContact CD1-CD1 3.46Å; L502-L572 HydrophobicContact CD2-CD1 3.44Å; L502-L572 VanDerWaalsContact CD2-CD1 3.44Å
503	E	49.6	Very low	39.9	Very low	73 Å²	73	81.8 Å²	81.8	34%	0.341	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.6	178.5	-67.1	-169.7	169.1	0	0	112.9	V479 L480 W505	V479-E503 WeakPolarHBondContact CA-O 3.35Å; V479-E503 VanDerWaalsContact CG1-O 3.22Å; V479-E503 WeakPolarHBondContact CG1-O 3.07Å; L480-E503 PolarHBondContact N-O 3.1Å; L480-E503 PolarHBondContact O-N 3.45Å; E503-W505 PolarHBondContact OE2-NE1 3.2Å
504	H	48.7	Very low	41.3	Very low	28 Å²	28	75 Å²	75	13%	0.13	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.8	179.5	-174.9	-89.9	0	0	0	110.8	E477 T506 C511 M514	E477-H504 IonicContact OE1-NE2 2.78Å; E477-H504 PolarHBondContact OE1-NE2 2.8Å; E477-H504 VanDerWaalsContact OE1-NE2 3.11Å; H504-T506 WeakPolarHBondContact CE1-CG2 3.16Å; H504-T506 WeakPolarHBondContact NE2-CG2 3.26Å; H504-C511 HydrophobicContact CB-CB 4.41Å; H504-C511 PolarHBondContact CE1-SG 2.84Å; H504-C511 WeakPolarHBondContact O-CB 3.37Å; H504-C511 PolarHBondContact O-N 3.41Å; H504-M514 HydrophobicContact CB-CE 4.44Å; H504-M514 HydrophobicContact CB-CG 3.82Å; H504-M514 HydrophobicContact CB-SD 3.6Å; H504-M514 VanDerWaalsContact CB-SD 3.6Å
505	W	47.1	Very low	42.7	Very low	56 Å²	56	69.3 Å²	69.3	21%	0.212	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	99	-174.5	-69	73.1	0	0	0	109.2	I452 I478 L480 E503 P510	I452-W505 HydrophobicContact CG1-CH2 4.4Å; I452-W505 HydrophobicContact CG1-CZ3 4.02Å; I478-W505 HydrophobicContact CB-CB 4.45Å; I478-W505 PolarHBondContact N-O 3.39Å; I478-W505 CarbonylContact O-C 3.55Å; I478-W505 WeakPolarHBondContact O-CA 3.36Å; I478-W505 WeakPolarHBondContact O-CB 3.28Å; I478-W505 PolarHBondContact O-N 2.73Å; I478-W505 VanDerWaalsContact O-O 3.12Å; L480-W505 HydrophobicContact CD1-CG 4.36Å; E503-W505 PolarHBondContact OE2-NE1 3.2Å; W505-P510 HydrophobicContact CD2-CB 4.19Å; W505-P510 HydrophobicContact CE3-CB 3.84Å; W505-P510 HydrophobicContact CH2-CB 4.03Å; W505-P510 HydrophobicContact CZ2-CB 4.36Å; W505-P510 HydrophobicContact CZ3-CB 3.76Å
506	T	39.7	Very low	44	Very low	20 Å²	20	66.4 Å²	66.4	12%	0.123	35%	0.354	C	S	.	.			trans	-76.6	159.6	170.5	65.6	0	0	0	0	110.2	H504 S508 E509	H504-T506 WeakPolarHBondContact CE1-CG2 3.16Å; H504-T506 WeakPolarHBondContact NE2-CG2 3.26Å; T506-S508 WeakPolarHBondContact CB-OG 3.48Å; T506-S508 PolarHBondContact O-N 3.47Å; T506-S508 VanDerWaalsContact O-N 3.13Å; T506-S508 PolarHBondContact OG1-N 3.01Å; T506-S508 PolarHBondContact OG1-OG 3.27Å; T506-E509 PolarHBondContact N-O 3.47Å; T506-E509 PolarHBondContact OG1-N 2.77Å; T506-E509 PolarHBondContact OG1-O 2.8Å
507	I	38.4	Very low	45.7	Very low	91 Å²	91	61.8 Å²	61.8	47%	0.467	32%	0.322	S	S	.	.	S	Bend	trans	-62.1	-18.5	171.7	-64.4	-175.4	0	0	0	111.7	T475	T475-I507 WeakPolarHBondContact O-CD1 3.15Å
508	S	34.4	Very low	46.6	Very low	70 Å²	70	60.2 Å²	60.2	49%	0.49	32%	0.323	S	S	.	.	S	Bend	trans	-83.9	-58.7	175.1	22	0	0	0	0	113.4	K451 T506	K451-S508 PolarHBondContact NZ-O 2.67Å; T506-S508 WeakPolarHBondContact CB-OG 3.48Å; T506-S508 PolarHBondContact O-N 3.47Å; T506-S508 VanDerWaalsContact O-N 3.13Å; T506-S508 PolarHBondContact OG1-N 3.01Å; T506-S508 PolarHBondContact OG1-OG 3.27Å
509	E	33.9	Very low	47.9	Very low	75 Å²	75	56.2 Å²	56.2	35%	0.35	31%	0.305	S	S	.	.			trans	-146.9	141.9	-162	-70.4	172.5	-172	0	0	111.7	T506	T506-E509 PolarHBondContact N-O 3.47Å; T506-E509 PolarHBondContact OG1-N 2.77Å; T506-E509 PolarHBondContact OG1-O 2.8Å
510	P	37.2	Very low	49.3	Very low	36 Å²	36	54.2 Å²	54.2	23%	0.234	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-77	124.2	166.7	32.2	-30.7	0	0	0	109.5	W505 E1893	W505-P510 HydrophobicContact CD2-CB 4.19Å; W505-P510 HydrophobicContact CE3-CB 3.84Å; W505-P510 HydrophobicContact CH2-CB 4.03Å; W505-P510 HydrophobicContact CZ2-CB 4.36Å; W505-P510 HydrophobicContact CZ3-CB 3.76Å; P510-E1893 WeakPolarHBondContact CD-OE1 3.45Å
511	C	40.5	Very low	50.3	Low	56 Å²	56	53.8 Å²	53.8	38%	0.378	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-86.7	150.5	176.8	-62.1	0	0	0	0	111.3	H504	H504-C511 HydrophobicContact CB-CB 4.41Å; H504-C511 PolarHBondContact CE1-SG 2.84Å; H504-C511 WeakPolarHBondContact O-CB 3.37Å; H504-C511 PolarHBondContact O-N 3.41Å
512	S	41.9	Very low	51.6	Low	98 Å²	98	54.2 Å²	54.2	69%	0.685	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-52.9	153.4	162.5	52.8	0	0	0	0	111.2	M514	S512-M514 PolarHBondContact O-N 3.25Å
513	P	51.5	Low	52.6	Low	59 Å²	59	56.5 Å²	56.5	38%	0.383	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-51.3	125.4	179.5	20.7	-33.6	0	0	0	111.2	Y501 L502 A515	Y501-P513 HydrophobicContact CD1-CB 4.37Å; L502-P513 CarbonylContact O-C 3.47Å; L502-P513 WeakPolarHBondContact O-CA 3.25Å; P513-A515 VanDerWaalsContact C-N 3.32Å; P513-A515 PolarHBondContact O-N 3.13Å
514	M	57.2	Low	53.6	Low	42 Å²	42	53.3 Å²	53.3	21%	0.207	30%	0.296	C	S	.	.	S	Bend	trans	-68	-35.4	-173.4	-59.4	-170.8	83.7	0	0	112.2	L502 H504 S512 T574 G577	L502-M514 HydrophobicContact CB-CB 4.46Å; L502-M514 HydrophobicContact CD2-CB 4.17Å; L502-M514 HydrophobicContact CD2-SD 3.98Å; L502-M514 HydrophobicContact CG-CB 4.28Å; L502-M514 HydrophobicContact CG-CG 4.41Å; L502-M514 HydrophobicContact CG-SD 4.19Å; L502-M514 PolarHBondContact O-N 2.75Å; H504-M514 HydrophobicContact CB-CE 4.44Å; H504-M514 HydrophobicContact CB-CG 3.82Å; H504-M514 HydrophobicContact CB-SD 3.6Å; H504-M514 VanDerWaalsContact CB-SD 3.6Å; S512-M514 PolarHBondContact O-N 3.25Å; M514-T574 WeakPolarHBondContact CE-O 3.14Å; M514-G577 WeakPolarHBondContact O-CA 3.48Å
515	A	60.1	Low	54.5	Low	13 Å²	13	53.8 Å²	53.8	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	145.8	-178.4	0	0	0	0	0	109.4	L502 P513 F517 L572	L502-A515 PolarHBondContact N-O 2.78Å; P513-A515 VanDerWaalsContact C-N 3.32Å; P513-A515 PolarHBondContact O-N 3.13Å; A515-F517 HydrophobicContact CB-CE2 3.59Å; A515-F517 HydrophobicContact CB-CZ 3.62Å; A515-L572 HydrophobicContact CB-CD2 4.31Å
516	E	57.3	Low	55.3	Low	134 Å²	134	54 Å²	54	63%	0.626	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.3	174.7	-58.4	174.9	155.3	0	0	108.2	Y501	Y501-E516 HydrophobicContact CD1-CG 3.98Å; Y501-E516 HydrophobicContact CE1-CG 4.03Å
517	F	63.6	Low	56.5	Low	5 Å²	5	54.8 Å²	54.8	2%	0.022	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.9	179.7	-64.6	-80.8	0	0	0	111.3	Y500 L502 A515 Q519 V521 V560 H570 L572	Y500-F517 PolarHBondContact N-O 3.19Å; Y500-F517 PolarHBondContact O-N 3.25Å; L502-F517 HydrophobicContact CB-CE2 4.27Å; A515-F517 HydrophobicContact CB-CE2 3.59Å; A515-F517 HydrophobicContact CB-CZ 3.62Å; F517-Q519 PolarHBondContact O-N 2.9Å; F517-V521 HydrophobicContact CB-CG2 3.89Å; F517-V521 HydrophobicContact CD2-CG2 3.7Å; F517-V521 HydrophobicContact CE2-CG2 4.49Å; F517-V521 HydrophobicContact CG-CG2 3.8Å; F517-V560 HydrophobicContact CD1-CG1 4.49Å; F517-V560 HydrophobicContact CE1-CG1 4.12Å; F517-V560 HydrophobicContact CE2-CG1 4.34Å; F517-V560 HydrophobicContact CZ-CB 4.47Å; F517-V560 HydrophobicContact CZ-CG1 4.05Å; F517-V560 HydrophobicContact CZ-CG2 4.46Å; F517-H570 AromaticContact CD1-CD2 3.97Å; F517-H570 HydrophobicContact CE1-CB 4.24Å; F517-H570 AromaticContact CE1-CD2 3.8Å; F517-H570 AromaticContact CE1-CG 3.96Å; F517-L572 HydrophobicContact CZ-CD1 4Å; F517-L572 HydrophobicContact CZ-CD2 4.11Å; F517-L572 HydrophobicContact CZ-CG 4.46Å
518	P	57.2	Low	57.2	Low	99 Å²	99	52.6 Å²	52.6	64%	0.643	29%	0.294	S	S	*	.	S	Bend	trans	-80.4	12.2	176.2	35.7	-37.5	0	0	0	112.9
519	Q	67.4	Low	58.1	Low	47 Å²	47	50.7 Å²	50.7	22%	0.22	28%	0.278	C	S	.	.	S	Bend	trans	-138.1	155.8	179.4	-73.4	-166.5	-1.9	0	0	108.8	F517 V521 C562 P566 S568	F517-Q519 PolarHBondContact O-N 2.9Å; Q519-V521 PolarHBondContact O-N 3.34Å; Q519-C562 HydrophobicContact CB-CB 3.75Å; Q519-P566 PolarHBondContact NE2-O 2.8Å; Q519-S568 PolarHBondContact OE1-OG 2.9Å
520	I	68.3	Low	58.4	Low	58 Å²	58	49.1 Å²	49.1	30%	0.297	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	121.7	-179.5	-55.3	-175	0	0	0	109	Y500 K522 C562 E563	Y500-I520 HydrophobicContact CD1-CG2 4.4Å; Y500-I520 HydrophobicContact CD2-CG1 4.49Å; Y500-I520 HydrophobicContact CE1-CB 4.22Å; Y500-I520 HydrophobicContact CE1-CG1 4.45Å; Y500-I520 HydrophobicContact CE1-CG2 3.7Å; Y500-I520 HydrophobicContact CE2-CB 4.14Å; Y500-I520 HydrophobicContact CE2-CG1 3.69Å; Y500-I520 HydrophobicContact CE2-CG2 4.46Å; I520-K522 PolarHBondContact O-N 2.96Å; I520-C562 CarbonylContact O-C 3.46Å; I520-C562 WeakPolarHBondContact O-CA 3.33Å; I520-E563 HydrophobicContact CB-CB 4.24Å; I520-E563 PolarHBondContact O-N 2.87Å
521	V	68.3	Low	58.5	Low	3 Å²	3	51.6 Å²	51.6	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.3	174.2	176.3	0	0	0	0	109.4	V481 F517 Q519 I524 V560	V481-V521 HydrophobicContact CG1-CB 4.11Å; V481-V521 HydrophobicContact CG1-CG1 4.05Å; F517-V521 HydrophobicContact CB-CG2 3.89Å; F517-V521 HydrophobicContact CD2-CG2 3.7Å; F517-V521 HydrophobicContact CE2-CG2 4.49Å; F517-V521 HydrophobicContact CG-CG2 3.8Å; Q519-V521 PolarHBondContact O-N 3.34Å; V521-I524 HydrophobicContact CG1-CD1 3.99Å; V521-I524 HydrophobicContact CG1-CG1 3.78Å; V521-V560 HydrophobicContact CG1-CG1 3.87Å; V521-V560 HydrophobicContact CG2-CG1 4.05Å
522	K	71.4	Confident	58.4	Low	71 Å²	71	51.3 Å²	51.3	31%	0.309	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-35.2	-172.7	175.7	171	173.1	171.3	0	113.8	I520 I561 E563 V589 E590	I520-K522 PolarHBondContact O-N 2.96Å; K522-I561 HydrophobicContact CB-CG2 4.38Å; K522-I561 PolarHBondContact N-O 3.33Å; K522-E563 HydrophobicContact CB-CB 4.32Å; K522-E563 HydrophobicContact CD-CB 4.4Å; K522-V589 PolarHBondContact NZ-O 3.33Å; K522-E590 IonicContact NZ-OE2 3.71Å; K522-E590 PolarHBondContact NZ-OE2 3.41Å
523	N	70.7	Confident	57.9	Low	52 Å²	52	52 Å²	52	28%	0.278	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	140.7	-174.2	178.1	14.5	0	0	0	109.5	I561 D591	N523-I561 HydrophobicContact CB-CB 4.36Å; N523-I561 HydrophobicContact CB-CD1 4.22Å; N523-I561 PolarHBondContact O-N 2.73Å; N523-D591 PolarHBondContact ND2-OD1 2.83Å
524	I	70.4	Confident	57	Low	6 Å²	6	53.2 Å²	53.2	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	115.1	171.6	-51.8	-169.9	0	0	0	110.8	D468 V481 L502 V521 F526 A558 V559 V560	D468-I524 PolarHBondContact OD2-N 2.93Å; V481-I524 HydrophobicContact CG2-CD1 3.37Å; V481-I524 HydrophobicContact CG2-CG1 4.11Å; L502-I524 HydrophobicContact CD1-CD1 3.46Å; L502-I524 VanDerWaalsContact CD1-CD1 3.46Å; V521-I524 HydrophobicContact CG1-CD1 3.99Å; V521-I524 HydrophobicContact CG1-CG1 3.78Å; I524-F526 HydrophobicContact CB-CE2 4.26Å; I524-F526 HydrophobicContact CG2-CD2 3.99Å; I524-F526 HydrophobicContact CG2-CE2 3.41Å; I524-F526 VanDerWaalsContact CG2-CE2 3.41Å; I524-F526 HydrophobicContact CG2-CZ 3.94Å; I524-A558 HydrophobicContact CG2-CB 3.89Å; I524-V559 WeakPolarHBondContact CA-O 3.46Å; I524-V560 HydrophobicContact CD1-CG2 3.91Å; I524-V560 HydrophobicContact CG1-CG1 4.41Å; I524-V560 HydrophobicContact CG1-CG2 3.99Å; I524-V560 HydrophobicContact CG2-CG2 3.97Å
525	S	68.1	Low	56.1	Low	38 Å²	38	52.7 Å²	52.7	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.5	171.8	66.6	0	0	0	0	112.1	A558 V559	S525-A558 CarbonylContact O-C 3.54Å; S525-A558 WeakPolarHBondContact O-CA 3.17Å; S525-V559 PolarHBondContact N-O 3.45Å; S525-V559 PolarHBondContact O-N 3.13Å
526	F	64.3	Low	54.9	Low	62 Å²	62	53.9 Å²	53.9	27%	0.272	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.5	-179.4	-73.1	-103.3	0	0	0	110.5	T470 V479 I524 A558 T574	T470-F526 HydrophobicContact CG2-CD2 3.57Å; T470-F526 HydrophobicContact CG2-CE2 3.95Å; T470-F526 HydrophobicContact CG2-CG 4.07Å; T470-F526 WeakPolarHBondContact OG1-CD2 3.33Å; T470-F526 WeakPolarHBondContact OG1-CE2 3.3Å; V479-F526 HydrophobicContact CB-CZ 3.95Å; V479-F526 HydrophobicContact CG1-CZ 4.01Å; V479-F526 HydrophobicContact CG2-CE1 4.1Å; V479-F526 HydrophobicContact CG2-CZ 3.8Å; I524-F526 HydrophobicContact CB-CE2 4.26Å; I524-F526 HydrophobicContact CG2-CD2 3.99Å; I524-F526 HydrophobicContact CG2-CE2 3.41Å; I524-F526 VanDerWaalsContact CG2-CE2 3.41Å; I524-F526 HydrophobicContact CG2-CZ 3.94Å; F526-A558 HydrophobicContact CD1-CB 4.08Å; F526-A558 HydrophobicContact CE1-CB 3.91Å; F526-A558 HydrophobicContact CG-CB 4.48Å; F526-A558 HydrophobicContact CZ-CB 4.16Å; F526-T574 HydrophobicContact CD1-CG2 3.8Å; F526-T574 HydrophobicContact CE1-CG2 3.63Å
527	I	64.5	Low	53.7	Low	35 Å²	35	52.1 Å²	52.1	18%	0.179	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	100.7	174.8	-66.3	169.6	0	0	0	107.8	L529 I557 V559 W594	I527-L529 PolarHBondContact O-N 3.07Å; I527-I557 PolarHBondContact N-O 3.2Å; I527-I557 PolarHBondContact O-N 3.08Å; I527-V559 HydrophobicContact CD1-CG2 3.67Å; I527-V559 HydrophobicContact CG1-CG2 4.4Å; I527-W594 HydrophobicContact CB-CE3 4.41Å; I527-W594 HydrophobicContact CD1-CB 3.81Å; I527-W594 HydrophobicContact CD1-CE3 3.83Å; I527-W594 WeakPolarHBondContact CD1-O 3.49Å; I527-W594 HydrophobicContact CG2-CE3 4.15Å; I527-W594 HydrophobicContact CG2-CZ3 4.19Å
528	R	53.3	Low	52.2	Low	45 Å²	45	54.4 Å²	54.4	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.5	172.2	-163.3	-153.6	-161.9	160	4.3	108.5	D474 N530 D531 N556	D474-R528 IonicContact OD2-CZ 3.64Å; D474-R528 IonicContact OD2-NH1 2.82Å; D474-R528 PolarHBondContact OD2-NH1 3.14Å; D474-R528 IonicContact OD2-NH2 2.64Å; D474-R528 PolarHBondContact OD2-NH2 3.43Å; R528-N530 HydrophobicContact CG-CB 4.16Å; R528-N530 PolarHBondContact O-N 3.12Å; R528-D531 HydrophobicContact CB-CB 4.26Å; R528-D531 WeakPolarHBondContact CB-OD2 3.13Å; R528-D531 WeakPolarHBondContact CD-OD1 3.21Å; R528-D531 WeakPolarHBondContact CD-OD2 3.47Å; R528-D531 IonicContact CZ-OD1 3.46Å; R528-D531 IonicContact NE-OD1 2.66Å; R528-D531 IonicContact NH1-OD1 2.63Å; R528-D531 PolarHBondContact NH1-OD1 3.35Å; R528-D531 PolarHBondContact O-N 3.32Å; R528-D531 VanDerWaalsContact O-N 3.07Å; R528-N556 VanDerWaalsContact CA-OD1 3.32Å; R528-N556 WeakPolarHBondContact CA-OD1 3.29Å; R528-N556 WeakPolarHBondContact CG-OD1 3.31Å
529	L	53.1	Low	51.1	Low	30 Å²	30	51.5 Å²	51.5	16%	0.157	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.4	-28.2	178.1	-73.3	173.3	0	0	0	112	I527 D531 I555 W596	I527-L529 PolarHBondContact O-N 3.07Å; L529-D531 PolarHBondContact O-N 3.27Å; L529-I555 WeakPolarHBondContact CB-O 3.45Å; L529-I555 HydrophobicContact CD1-CB 3.93Å; L529-I555 HydrophobicContact CD1-CG2 3.92Å; L529-I555 WeakPolarHBondContact CD1-O 3.36Å; L529-I555 WeakPolarHBondContact CG-O 3.42Å; L529-I555 PolarHBondContact N-O 3.18Å; L529-W596 HydrophobicContact CD2-CB 3.81Å; L529-W596 HydrophobicContact CD2-CD2 3.85Å; L529-W596 HydrophobicContact CD2-CG 3.35Å
530	N	40.8	Very low	49.5	Very low	43 Å²	43	52.7 Å²	52.7	23%	0.23	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.8	-25.1	174.2	-79.1	44.2	0	0	0	115	R528 L532 Y533 D534 S554	R528-N530 HydrophobicContact CG-CB 4.16Å; R528-N530 PolarHBondContact O-N 3.12Å; N530-L532 PolarHBondContact O-N 3.46Å; N530-L532 VanDerWaalsContact O-N 3.1Å; N530-Y533 CarbonylContact O-C 3.54Å; N530-Y533 WeakPolarHBondContact O-CA 3.33Å; N530-Y533 PolarHBondContact O-N 2.9Å; N530-D534 WeakPolarHBondContact CB-OD2 3.34Å; N530-D534 WeakPolarHBondContact O-CB 3.26Å; N530-D534 PolarHBondContact O-N 2.81Å; N530-S554 VanDerWaalsContact CG-CB 3.45Å; N530-S554 VanDerWaalsContact OD1-CA 3.28Å; N530-S554 WeakPolarHBondContact OD1-CA 3.4Å; N530-S554 WeakPolarHBondContact OD1-CB 3.32Å
531	D	39.4	Very low	47.8	Very low	87 Å²	87	57.4 Å²	57.4	47%	0.465	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-69.2	-13.9	-179.4	-76.3	-23.2	0	0	0	112.5	R528 L529 I535	R528-D531 HydrophobicContact CB-CB 4.26Å; R528-D531 WeakPolarHBondContact CB-OD2 3.13Å; R528-D531 WeakPolarHBondContact CD-OD1 3.21Å; R528-D531 WeakPolarHBondContact CD-OD2 3.47Å; R528-D531 IonicContact CZ-OD1 3.46Å; R528-D531 IonicContact NE-OD1 2.66Å; R528-D531 IonicContact NH1-OD1 2.63Å; R528-D531 PolarHBondContact NH1-OD1 3.35Å; R528-D531 PolarHBondContact O-N 3.32Å; R528-D531 VanDerWaalsContact O-N 3.07Å; L529-D531 PolarHBondContact O-N 3.27Å; D531-I535 WeakPolarHBondContact O-CG1 3.33Å
532	L	37.3	Very low	46	Very low	50 Å²	50	65.7 Å²	65.7	26%	0.262	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-89.6	-15.4	167.7	-74.9	165.1	0	0	0	113.4	N530	N530-L532 PolarHBondContact O-N 3.46Å; N530-L532 VanDerWaalsContact O-N 3.1Å
533	Y	30.8	Very low	44.1	Very low	114 Å²	114	67 Å²	67	45%	0.447	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-12	-178.8	-82.9	-83.9	0	0	0	114.2	N530 V536 W596	N530-Y533 CarbonylContact O-C 3.54Å; N530-Y533 WeakPolarHBondContact O-CA 3.33Å; N530-Y533 PolarHBondContact O-N 2.9Å; Y533-V536 WeakPolarHBondContact O-CB 3.21Å; Y533-V536 WeakPolarHBondContact O-CG2 3.35Å; Y533-W596 AromaticContact CE2-CH2 3.92Å; Y533-W596 HydrophobicContact CE2-CH2 3.92Å; Y533-W596 AromaticContact CE2-CZ2 3.73Å; Y533-W596 HydrophobicContact CE2-CZ2 3.73Å
534	D	33.3	Very low	42	Very low	84 Å²	84	70.2 Å²	70.2	45%	0.449	39%	0.391	S	S	.	.	S	Bend	trans	-93.8	-14.5	178.9	-71.6	-28.8	0	0	0	112.5	N530 V536 N537	N530-D534 WeakPolarHBondContact CB-OD2 3.34Å; N530-D534 WeakPolarHBondContact O-CB 3.26Å; N530-D534 PolarHBondContact O-N 2.81Å; D534-V536 PolarHBondContact O-N 3.34Å; D534-V536 VanDerWaalsContact O-N 3.15Å; D534-N537 PolarHBondContact O-N 3.13Å
535	I	37.5	Very low	40.1	Very low	30 Å²	30	77.1 Å²	77.1	15%	0.154	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.5	163	-44	179.4	0	0	0	110.9	D531 N537 Y649 F650	D531-I535 WeakPolarHBondContact O-CG1 3.33Å; I535-N537 VanDerWaalsContact C-N 3.29Å; I535-N537 PolarHBondContact O-N 2.72Å; I535-Y649 HydrophobicContact CB-CE1 4.17Å; I535-Y649 HydrophobicContact CG2-CD1 4.35Å; I535-Y649 HydrophobicContact CG2-CE1 3.71Å; I535-F650 HydrophobicContact CG2-CD1 4.16Å; I535-F650 HydrophobicContact CG2-CE1 3.39Å; I535-F650 HydrophobicContact CG2-CE2 4.31Å; I535-F650 HydrophobicContact CG2-CZ 3.46Å; I535-F650 VanDerWaalsContact CG2-CZ 3.46Å
536	V	36.7	Very low	38.1	Very low	39 Å²	39	81.6 Å²	81.6	24%	0.236	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0	178.9	-167.3	0	0	0	0	112	Y533 D534 Y649 F653	Y533-V536 WeakPolarHBondContact O-CB 3.21Å; Y533-V536 WeakPolarHBondContact O-CG2 3.35Å; D534-V536 PolarHBondContact O-N 3.34Å; D534-V536 VanDerWaalsContact O-N 3.15Å; V536-Y649 WeakPolarHBondContact CG2-OH 3.2Å; V536-F653 HydrophobicContact CB-CE1 4.27Å; V536-F653 HydrophobicContact CB-CZ 4.28Å; V536-F653 HydrophobicContact CG1-CD1 4.15Å; V536-F653 HydrophobicContact CG1-CE1 3.41Å; V536-F653 VanDerWaalsContact CG1-CE1 3.41Å; V536-F653 HydrophobicContact CG1-CE2 3.87Å; V536-F653 HydrophobicContact CG1-CZ 3.26Å; V536-F653 WeakPolarHBondContact O-CD1 3.29Å; V536-F653 WeakPolarHBondContact O-CE1 3.47Å
537	N	31.5	Very low	36.3	Very low	97 Å²	97	82.1 Å²	82.1	52%	0.519	46%	0.464	S	S	.	.			trans	-146.2	54.9	179.3	-140.4	-15.2	0	0	0	117.7	D534 I535 A539 A540	D534-N537 PolarHBondContact O-N 3.13Å; I535-N537 VanDerWaalsContact C-N 3.29Å; I535-N537 PolarHBondContact O-N 2.72Å; N537-A539 PolarHBondContact O-N 3.21Å; N537-A540 PolarHBondContact O-N 3.47Å
538	P	31.7	Very low	34.5	Very low	52 Å²	52	87.8 Å²	87.8	34%	0.338	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	5.4	179.3	32.7	-38.1	0	0	0	114.9	F653 L654	P538-F653 HydrophobicContact CG-CB 4.29Å; P538-L654 HydrophobicContact CB-CD2 3.75Å; P538-L654 HydrophobicContact CB-CG 4.23Å; P538-L654 HydrophobicContact CG-CD2 3.74Å; P538-L654 HydrophobicContact CG-CG 3.78Å
539	A	34	Very low	33.3	Very low	38 Å²	38	96.1 Å²	96.1	31%	0.314	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.9	176.9	0	0	0	0	0	113.8	N537 D541 K542	N537-A539 PolarHBondContact O-N 3.21Å; A539-D541 VanDerWaalsContact C-N 3.29Å; A539-D541 PolarHBondContact O-N 2.86Å; A539-K542 PolarHBondContact O-N 3.46Å
540	A	33.6	Very low	32.1	Very low	72 Å²	72	101.1 Å²	101.1	60%	0.595	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-62	-29.5	-171.7	0	0	0	0	0	114.7	N537 K542	N537-A540 PolarHBondContact O-N 3.47Å; A540-K542 PolarHBondContact O-N 2.9Å; A540-K542 VanDerWaalsContact O-N 3.09Å
541	D	32.7	Very low	31.6	Very low	158 Å²	158	105.4 Å²	105.4	85%	0.845	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-68.6	-4.7	-175.3	-93.7	-22.8	0	0	0	115.2	A539	A539-D541 VanDerWaalsContact C-N 3.29Å; A539-D541 PolarHBondContact O-N 2.86Å
542	K	32	Very low	31.4	Very low	177 Å²	177	103.3 Å²	103.3	77%	0.77	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-100.2	6.6	-176.3	-80.7	-174	176.2	179.2	0	115.9	A539 A540 E902	A539-K542 PolarHBondContact O-N 3.46Å; A540-K542 PolarHBondContact O-N 2.9Å; A540-K542 VanDerWaalsContact O-N 3.09Å; K542-E902 IonicContact NZ-OE1 3.14Å; K542-E902 PolarHBondContact NZ-OE1 2.83Å; K542-E902 VanDerWaalsContact NZ-OE1 3.12Å
543	S	30.6	Very low	31.3	Very low	99 Å²	99	107.6 Å²	107.6	69%	0.692	58%	0.581	S	S	*	*			trans	-117.6	111.8	176.2	92	0	0	0	0	113.8	N545	S543-N545 PolarHBondContact O-N 2.88Å
544	S	27.1	Very low	31.9	Very low	118 Å²	118	102.3 Å²	102.3	83%	0.825	56%	0.56	S	S	*	*			trans	-88.9	75.5	-177.7	62.2	0	0	0	0	112.5
545	N	30.4	Very low	32.7	Very low	151 Å²	151	102.6 Å²	102.6	81%	0.807	56%	0.561	S	S	*	*			trans	-156.6	145.6	160.2	-93.5	-42.8	0	0	0	109.9	S543	S543-N545 PolarHBondContact O-N 2.88Å
546	L	25.5	Very low	33.8	Very low	133 Å²	133	102 Å²	102	70%	0.696	56%	0.558	S	S	*	*			trans	-94.8	159.3	-159.2	-72.5	71.2	0	0	0	115.2
547	A	26.4	Very low	35.3	Very low	72 Å²	72	100.8 Å²	100.8	60%	0.595	55%	0.55	S	S	*	.			trans	98.3	27.3	137	0	0	0	0	0	122.6	K1956	A547-K1956 PolarHBondContact O-NZ 3.08Å
548	E	27.6	Very low	37.3	Very low	154 Å²	154	96.2 Å²	96.2	72%	0.72	53%	0.525	S	S	*	.			trans	-138.4	10.4	-177.8	-133.6	143.1	-114.4	0	0	119.9
549	Y	26.9	Very low	39.7	Very low	220 Å²	220	93.7 Å²	93.7	86%	0.863	51%	0.509	S	S	*	.			trans	-105.3	83.1	169.8	-90.2	-91.5	0	0	0	112.5
550	Q	27.8	Very low	42	Very low	135 Å²	135	91.9 Å²	91.9	63%	0.631	49%	0.494	S	S	*	.			trans	-118.5	61.6	166	-78.9	-165.9	-83.3	0	0	111.2	D552	Q550-D552 PolarHBondContact O-N 3.23Å
551	N	30.9	Very low	44.5	Very low	133 Å²	133	88.5 Å²	88.5	71%	0.711	47%	0.466	S	S	*	.			trans	-85.9	62.9	163.1	-83.1	-7.3	0	0	0	109.6	N553	N551-N553 PolarHBondContact O-N 2.81Å
552	D	34.9	Very low	46.8	Very low	44 Å²	44	81 Å²	81	24%	0.235	43%	0.426	C	S	.	.			trans	-68.4	12.2	177.9	-109.9	-61.8	0	0	0	113.5	K472 Q550 S554	K472-D552 IonicContact NZ-OD1 3.55Å; K472-D552 PolarHBondContact NZ-OD1 2.78Å; Q550-D552 PolarHBondContact O-N 3.23Å; D552-S554 PolarHBondContact O-N 3.35Å
553	N	35.1	Very low	48.9	Very low	140 Å²	140	76.6 Å²	76.6	75%	0.749	41%	0.408	S	S	*	.			trans	-67.2	24.3	167.4	-79.9	-0.2	0	0	0	113	N551 I555	N551-N553 PolarHBondContact O-N 2.81Å; N553-I555 PolarHBondContact O-N 3.46Å
554	S	44.8	Very low	51	Low	3 Å²	3	72.8 Å²	72.8	2%	0.021	39%	0.385	C	S	.	.			trans	-63	102.2	165.8	63.6	0	0	0	0	108.2	N530 D552 N556	N530-S554 VanDerWaalsContact CG-CB 3.45Å; N530-S554 VanDerWaalsContact OD1-CA 3.28Å; N530-S554 WeakPolarHBondContact OD1-CA 3.4Å; N530-S554 WeakPolarHBondContact OD1-CB 3.32Å; D552-S554 PolarHBondContact O-N 3.35Å; S554-N556 VanDerWaalsContact C-N 3.33Å; S554-N556 WeakPolarHBondContact CB-OD1 3.45Å; S554-N556 PolarHBondContact O-N 3.18Å; S554-N556 PolarHBondContact O-ND2 2.73Å; S554-N556 PolarHBondContact O-OD1 3.43Å; S554-N556 PolarHBondContact OG-ND2 3.4Å; S554-N556 PolarHBondContact OG-OD1 2.88Å
555	I	48.8	Very low	53.3	Low	90 Å²	90	73.8 Å²	73.8	46%	0.462	37%	0.374	S	S	.	.			trans	-66.6	99.9	174	-64.4	171.1	0	0	0	106.3	L529 N553 I557	L529-I555 WeakPolarHBondContact CB-O 3.45Å; L529-I555 HydrophobicContact CD1-CB 3.93Å; L529-I555 HydrophobicContact CD1-CG2 3.92Å; L529-I555 WeakPolarHBondContact CD1-O 3.36Å; L529-I555 WeakPolarHBondContact CG-O 3.42Å; L529-I555 PolarHBondContact N-O 3.18Å; N553-I555 PolarHBondContact O-N 3.46Å; I555-I557 HydrophobicContact CG2-CD1 4.19Å; I555-I557 HydrophobicContact CG2-CG1 4.24Å
556	N	60.4	Low	55.5	Low	17 Å²	17	69.9 Å²	69.9	9%	0.091	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.7	180	-58.3	-25.9	0	0	0	107.2	R528 S554 T574	R528-N556 VanDerWaalsContact CA-OD1 3.32Å; R528-N556 WeakPolarHBondContact CA-OD1 3.29Å; R528-N556 WeakPolarHBondContact CG-OD1 3.31Å; S554-N556 VanDerWaalsContact C-N 3.33Å; S554-N556 WeakPolarHBondContact CB-OD1 3.45Å; S554-N556 PolarHBondContact O-N 3.18Å; S554-N556 PolarHBondContact O-ND2 2.73Å; S554-N556 PolarHBondContact O-OD1 3.43Å; S554-N556 PolarHBondContact OG-ND2 3.4Å; S554-N556 PolarHBondContact OG-OD1 2.88Å; N556-T574 HydrophobicContact CB-CG2 4.19Å; N556-T574 WeakPolarHBondContact CB-OG1 3.22Å; N556-T574 WeakPolarHBondContact O-CG2 3.3Å; N556-T574 PolarHBondContact O-N 3.15Å; N556-T574 VanDerWaalsContact O-N 3.15Å; N556-T574 PolarHBondContact O-OG1 2.72Å
557	I	69.5	Low	58.3	Low	13 Å²	13	63.6 Å²	63.6	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.6	-179	-71.2	167.2	0	0	0	107.5	I527 I555 L571 L572 L580 W594	I527-I557 PolarHBondContact N-O 3.2Å; I527-I557 PolarHBondContact O-N 3.08Å; I555-I557 HydrophobicContact CG2-CD1 4.19Å; I555-I557 HydrophobicContact CG2-CG1 4.24Å; I557-L571 HydrophobicContact CG2-CB 4.13Å; I557-L571 HydrophobicContact CG2-CD2 4.22Å; I557-L572 CarbonylContact C-O 3.21Å; I557-L572 VanDerWaalsContact CA-O 3.26Å; I557-L572 WeakPolarHBondContact CA-O 3.19Å; I557-L580 HydrophobicContact CD1-CD1 3.9Å; I557-L580 HydrophobicContact CG1-CD1 3.91Å; I557-W594 HydrophobicContact CB-CZ3 3.98Å; I557-W594 HydrophobicContact CD1-CH2 3.46Å; I557-W594 VanDerWaalsContact CD1-CH2 3.46Å; I557-W594 HydrophobicContact CD1-CZ2 4.47Å; I557-W594 HydrophobicContact CD1-CZ3 3.6Å; I557-W594 HydrophobicContact CG1-CZ3 4.37Å; I557-W594 HydrophobicContact CG2-CE3 4.19Å; I557-W594 HydrophobicContact CG2-CZ3 4.03Å
558	A	72	Confident	61.2	Low	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.7	174.6	0	0	0	0	0	109.4	I524 S525 F526 L572 T574	I524-A558 HydrophobicContact CG2-CB 3.89Å; S525-A558 CarbonylContact O-C 3.54Å; S525-A558 WeakPolarHBondContact O-CA 3.17Å; F526-A558 HydrophobicContact CD1-CB 4.08Å; F526-A558 HydrophobicContact CE1-CB 3.91Å; F526-A558 HydrophobicContact CG-CB 4.48Å; F526-A558 HydrophobicContact CZ-CB 4.16Å; A558-L572 HydrophobicContact CB-CB 4.27Å; A558-L572 PolarHBondContact N-O 2.72Å; A558-L572 PolarHBondContact O-N 3.1Å; A558-T574 HydrophobicContact CB-CG2 4.04Å
559	V	83.2	Confident	64.2	Low	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105	169.8	-169.1	0	0	0	0	106.7	I524 S525 I527 V569 L571 A592 W594 L601	I524-V559 WeakPolarHBondContact CA-O 3.46Å; S525-V559 PolarHBondContact N-O 3.45Å; S525-V559 PolarHBondContact O-N 3.13Å; I527-V559 HydrophobicContact CD1-CG2 3.67Å; I527-V559 HydrophobicContact CG1-CG2 4.4Å; V559-V569 HydrophobicContact CG1-CG1 3.49Å; V559-V569 VanDerWaalsContact CG1-CG1 3.49Å; V559-L571 HydrophobicContact CB-CD2 4.18Å; V559-L571 HydrophobicContact CG1-CD2 4.04Å; V559-L571 HydrophobicContact CG2-CD2 3.73Å; V559-A592 HydrophobicContact CG1-CB 4.32Å; V559-W594 HydrophobicContact CG2-CB 4.15Å; V559-L601 HydrophobicContact CG1-CD1 4.35Å
560	V	82.1	Confident	67.1	Low	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123	178.6	176.6	0	0	0	0	109.2	F517 V521 I524 V569 H570 L572	F517-V560 HydrophobicContact CD1-CG1 4.49Å; F517-V560 HydrophobicContact CE1-CG1 4.12Å; F517-V560 HydrophobicContact CE2-CG1 4.34Å; F517-V560 HydrophobicContact CZ-CB 4.47Å; F517-V560 HydrophobicContact CZ-CG1 4.05Å; F517-V560 HydrophobicContact CZ-CG2 4.46Å; V521-V560 HydrophobicContact CG1-CG1 3.87Å; V521-V560 HydrophobicContact CG2-CG1 4.05Å; I524-V560 HydrophobicContact CD1-CG2 3.91Å; I524-V560 HydrophobicContact CG1-CG1 4.41Å; I524-V560 HydrophobicContact CG1-CG2 3.99Å; I524-V560 HydrophobicContact CG2-CG2 3.97Å; V560-V569 WeakPolarHBondContact O-CA 3.38Å; V560-H570 HydrophobicContact CB-CB 4.45Å; V560-H570 PolarHBondContact N-O 3.46Å; V560-H570 PolarHBondContact O-N 3.46Å; V560-L572 HydrophobicContact CG2-CD1 3.45Å; V560-L572 VanDerWaalsContact CG2-CD1 3.45Å; V560-L572 HydrophobicContact CG2-CG 4.02Å
561	I	85.8	Confident	70	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.2	178.6	-57.9	-178.8	0	0	0	108.8	K522 N523 V569 V589 A592	K522-I561 HydrophobicContact CB-CG2 4.38Å; K522-I561 PolarHBondContact N-O 3.33Å; N523-I561 HydrophobicContact CB-CB 4.36Å; N523-I561 HydrophobicContact CB-CD1 4.22Å; N523-I561 PolarHBondContact O-N 2.73Å; I561-V569 HydrophobicContact CG1-CG2 4.5Å; I561-V589 HydrophobicContact CG2-CB 3.82Å; I561-V589 HydrophobicContact CG2-CG1 3.51Å; I561-A592 HydrophobicContact CD1-CB 3.73Å; I561-A592 VanDerWaalsContact CD1-N 3.25Å; I561-A592 HydrophobicContact CG1-CB 4.01Å
562	C	80.8	Confident	72.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.4	177.6	-68.7	0	0	0	0	111	Q519 I520 S568 H570	Q519-C562 HydrophobicContact CB-CB 3.75Å; I520-C562 CarbonylContact O-C 3.46Å; I520-C562 WeakPolarHBondContact O-CA 3.33Å; C562-S568 WeakPolarHBondContact CB-O 3.36Å; C562-S568 WeakPolarHBondContact CB-OG 3.42Å; C562-S568 PolarHBondContact N-O 2.8Å; C562-H570 PolarHBondContact SG-CD2 2.86Å
563	E	76.7	Confident	74.1	Confident	86 Å²	86	30 Å²	30	40%	0.402	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.2	175.8	178.3	170	-148.5	0	0	110.9	I520 K522 T588	I520-E563 HydrophobicContact CB-CB 4.24Å; I520-E563 PolarHBondContact O-N 2.87Å; K522-E563 HydrophobicContact CB-CB 4.32Å; K522-E563 HydrophobicContact CD-CB 4.4Å; E563-T588 HydrophobicContact CG-CG2 4.25Å
564	G	74.6	Confident	75.6	Confident	19 Å²	19	24.7 Å²	24.7	20%	0.196	13%	0.133	C	C	.	.	S	Bend	trans	174.4	173.3	-179.6	0	0	0	0	0	111.1	P566 G567 T588	G564-P566 CarbonylContact C-O 3.56Å; G564-P566 CarbonylContact O-C 3.56Å; G564-G567 WeakPolarHBondContact O-CA 3.21Å; G564-G567 PolarHBondContact O-N 2.92Å; G564-T588 WeakPolarHBondContact O-CA 3.26Å; G564-T588 WeakPolarHBondContact O-CG2 3.14Å
565	K	74.2	Confident	76.3	Confident	138 Å²	138	28.9 Å²	28.9	60%	0.6	15%	0.154	S	C	*	.	S	Bend	trans	-126.4	113	164.2	-65.8	-156.7	-176.1	-163.1	0	108.8	D587 T588	K565-D587 VanDerWaalsContact CE-OD1 3.29Å; K565-D587 WeakPolarHBondContact CE-OD1 3.3Å; K565-D587 IonicContact NZ-OD1 2.4Å; K565-D587 PolarHBondContact NZ-OD1 2.82Å; K565-T588 WeakPolarHBondContact CE-OG1 3.44Å; K565-T588 HydrophobicContact CG-CG2 4.06Å
566	P	78.5	Confident	76.8	Confident	70 Å²	70	27.4 Å²	27.4	46%	0.455	15%	0.147	S	C	.	.	S	Bend	cis	-63.5	143.8	-4.2	29.4	-36.3	0	0	0	112.2	Q519 G564 V584 C585	Q519-P566 PolarHBondContact NE2-O 2.8Å; G564-P566 CarbonylContact C-O 3.56Å; G564-P566 CarbonylContact O-C 3.56Å; P566-V584 HydrophobicContact CB-CG1 3.67Å; P566-V584 HydrophobicContact CG-CG1 4.06Å; P566-C585 CarbonylContact C-O 3.59Å; P566-C585 WeakPolarHBondContact CA-O 3.43Å; P566-C585 WeakPolarHBondContact CB-O 3.48Å
567	G	82.8	Confident	77	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	148	173.4	0	0	0	0	0	110.8	G564 C585 D587	G564-G567 WeakPolarHBondContact O-CA 3.21Å; G564-G567 PolarHBondContact O-N 2.92Å; G567-C585 PolarHBondContact N-O 2.89Å; G567-C585 PolarHBondContact O-N 3.17Å; G567-D587 PolarHBondContact N-O 2.85Å
568	S	88.2	Confident	77	Confident	12 Å²	12	28.3 Å²	28.3	8%	0.084	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.3	-180	58.8	0	0	0	0	113.7	Q519 C562 H570 A583	Q519-S568 PolarHBondContact OE1-OG 2.9Å; C562-S568 WeakPolarHBondContact CB-O 3.36Å; C562-S568 WeakPolarHBondContact CB-OG 3.42Å; C562-S568 PolarHBondContact N-O 2.8Å; S568-H570 PolarHBondContact OG-NE2 3.17Å; S568-A583 WeakPolarHBondContact CA-O 3.37Å
569	V	89.6	Confident	77.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.2	170.4	-178.1	0	0	0	0	108.4	V559 V560 I561 T582 A583 V589 A592 L601 I603	V559-V569 HydrophobicContact CG1-CG1 3.49Å; V559-V569 VanDerWaalsContact CG1-CG1 3.49Å; V560-V569 WeakPolarHBondContact O-CA 3.38Å; I561-V569 HydrophobicContact CG1-CG2 4.5Å; V569-T582 WeakPolarHBondContact O-CA 3.5Å; V569-A583 PolarHBondContact N-O 2.84Å; V569-A583 PolarHBondContact O-N 3.47Å; V569-V589 HydrophobicContact CG2-CG1 4.07Å; V569-V589 HydrophobicContact CG2-CG2 4.07Å; V569-A592 HydrophobicContact CG1-CB 3.99Å; V569-A592 HydrophobicContact CG2-CB 3.83Å; V569-L601 HydrophobicContact CB-CD2 4.27Å; V569-L601 HydrophobicContact CG1-CD1 4.22Å; V569-L601 HydrophobicContact CG1-CD2 4.03Å; V569-I603 HydrophobicContact CB-CD1 4.04Å; V569-I603 HydrophobicContact CG2-CD1 3.78Å; V569-I603 HydrophobicContact CG2-CG1 4.16Å; V569-I603 HydrophobicContact CG2-CG2 4Å
570	H	88.8	Confident	77.3	Confident	19 Å²	19	34.2 Å²	34.2	9%	0.088	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.4	-178.3	-53.6	-87.4	0	0	0	109.5	F517 V560 C562 S568 I579 T582	F517-H570 AromaticContact CD1-CD2 3.97Å; F517-H570 HydrophobicContact CE1-CB 4.24Å; F517-H570 AromaticContact CE1-CD2 3.8Å; F517-H570 AromaticContact CE1-CG 3.96Å; V560-H570 HydrophobicContact CB-CB 4.45Å; V560-H570 PolarHBondContact N-O 3.46Å; V560-H570 PolarHBondContact O-N 3.46Å; C562-H570 PolarHBondContact SG-CD2 2.86Å; S568-H570 PolarHBondContact OG-NE2 3.17Å; H570-I579 HydrophobicContact CB-CG2 4.41Å; H570-T582 VanDerWaalsContact CE1-CG2 3.48Å; H570-T582 WeakPolarHBondContact CE1-CG2 3.37Å; H570-T582 WeakPolarHBondContact ND1-CG2 3.3Å; H570-T582 PolarHBondContact ND1-OG1 2.81Å
571	L	87.3	Confident	77.6	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.7	168.1	-63.2	-174.7	0	0	0	108.2	I557 V559 I579 L580 T581 W594 T615	I557-L571 HydrophobicContact CG2-CB 4.13Å; I557-L571 HydrophobicContact CG2-CD2 4.22Å; V559-L571 HydrophobicContact CB-CD2 4.18Å; V559-L571 HydrophobicContact CG1-CD2 4.04Å; V559-L571 HydrophobicContact CG2-CD2 3.73Å; L571-I579 CarbonylContact O-C 2.9Å; L571-L580 WeakPolarHBondContact O-CB 3.49Å; L571-L580 PolarHBondContact O-N 3.08Å; L571-T581 HydrophobicContact CB-CG2 4.15Å; L571-T581 HydrophobicContact CD1-CG2 3.87Å; L571-T581 HydrophobicContact CG-CG2 4.18Å; L571-T581 PolarHBondContact N-O 3.44Å; L571-W594 HydrophobicContact CD1-CD2 4.21Å; L571-W594 HydrophobicContact CD1-CG 4.14Å; L571-W594 HydrophobicContact CD2-CB 4.34Å; L571-W594 HydrophobicContact CD2-CG 4.35Å; L571-T615 HydrophobicContact CD1-CG2 3.83Å
572	L	81.6	Confident	77.7	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.5	177.5	-60.4	177	0	0	0	111.3	L502 A515 F517 I557 A558 V560 S578 I579	L502-L572 HydrophobicContact CD2-CD1 3.44Å; L502-L572 VanDerWaalsContact CD2-CD1 3.44Å; A515-L572 HydrophobicContact CB-CD2 4.31Å; F517-L572 HydrophobicContact CZ-CD1 4Å; F517-L572 HydrophobicContact CZ-CD2 4.11Å; F517-L572 HydrophobicContact CZ-CG 4.46Å; I557-L572 CarbonylContact C-O 3.21Å; I557-L572 VanDerWaalsContact CA-O 3.26Å; I557-L572 WeakPolarHBondContact CA-O 3.19Å; A558-L572 HydrophobicContact CB-CB 4.27Å; A558-L572 PolarHBondContact N-O 2.72Å; A558-L572 PolarHBondContact O-N 3.1Å; V560-L572 HydrophobicContact CG2-CD1 3.45Å; V560-L572 VanDerWaalsContact CG2-CD1 3.45Å; V560-L572 HydrophobicContact CG2-CG 4.02Å; L572-S578 WeakPolarHBondContact CA-O 3.19Å; L572-I579 HydrophobicContact CD2-CB 4.29Å; L572-I579 HydrophobicContact CD2-CG1 3.47Å; L572-I579 VanDerWaalsContact CD2-CG1 3.47Å
573	S	72	Confident	78.2	Confident	14 Å²	14	36.2 Å²	36.2	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.3	160.5	153.7	0	0	0	0	109.2	L575 N576 G577 S578	S573-L575 PolarHBondContact O-N 2.86Å; S573-N576 VanDerWaalsContact CB-OD1 3.22Å; S573-N576 WeakPolarHBondContact CB-OD1 3.35Å; S573-N576 PolarHBondContact O-N 3.27Å; S573-N576 PolarHBondContact O-OD1 2.68Å; S573-N576 PolarHBondContact OG-OD1 3.41Å; S573-G577 WeakPolarHBondContact O-CA 3.42Å; S573-G577 PolarHBondContact O-N 3.41Å; S573-S578 PolarHBondContact N-O 2.76Å
574	T	66.5	Low	78.8	Confident	27 Å²	27	35.9 Å²	35.9	17%	0.166	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.3	-179.3	72.4	0	0	0	0	113	M514 F526 N556 A558 N576	M514-T574 WeakPolarHBondContact CE-O 3.14Å; F526-T574 HydrophobicContact CD1-CG2 3.8Å; F526-T574 HydrophobicContact CE1-CG2 3.63Å; N556-T574 HydrophobicContact CB-CG2 4.19Å; N556-T574 WeakPolarHBondContact CB-OG1 3.22Å; N556-T574 WeakPolarHBondContact O-CG2 3.3Å; N556-T574 PolarHBondContact O-N 3.15Å; N556-T574 VanDerWaalsContact O-N 3.15Å; N556-T574 PolarHBondContact O-OG1 2.72Å; A558-T574 HydrophobicContact CB-CG2 4.04Å; T574-N576 VanDerWaalsContact C-N 3.3Å; T574-N576 PolarHBondContact O-N 3.05Å
575	L	58.3	Low	79.3	Confident	91 Å²	91	35.1 Å²	35.1	48%	0.476	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.7	178.9	-71.8	163.5	0	0	0	113.2	S573	S573-L575 PolarHBondContact O-N 2.86Å
576	N	60.7	Low	79.7	Confident	59 Å²	59	37.2 Å²	37.2	32%	0.316	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.4	10.2	-173.9	70	-12.4	0	0	0	114.9	S573 T574 S578	S573-N576 VanDerWaalsContact CB-OD1 3.22Å; S573-N576 WeakPolarHBondContact CB-OD1 3.35Å; S573-N576 PolarHBondContact O-N 3.27Å; S573-N576 PolarHBondContact O-OD1 2.68Å; S573-N576 PolarHBondContact OG-OD1 3.41Å; T574-N576 VanDerWaalsContact C-N 3.3Å; T574-N576 PolarHBondContact O-N 3.05Å; N576-S578 VanDerWaalsContact CG-OG 3.25Å; N576-S578 PolarHBondContact ND2-OG 3.12Å; N576-S578 VanDerWaalsContact ND2-OG 3.09Å; N576-S578 PolarHBondContact O-N 2.79Å; N576-S578 WeakPolarHBondContact OD1-CB 3.2Å; N576-S578 PolarHBondContact OD1-N 3.03Å; N576-S578 VanDerWaalsContact OD1-N 3.14Å; N576-S578 PolarHBondContact OD1-OG 3.32Å
577	G	64.3	Low	80.1	Confident	5 Å²	5	35.6 Å²	35.6	5%	0.052	20%	0.195	C	C	.	.			trans	67.3	-3.2	-178.1	0	0	0	0	0	115.6	M514 S573 I579	M514-G577 WeakPolarHBondContact O-CA 3.48Å; S573-G577 WeakPolarHBondContact O-CA 3.42Å; S573-G577 PolarHBondContact O-N 3.41Å; G577-I579 PolarHBondContact O-N 2.88Å
578	S	68.3	Low	80.2	Confident	45 Å²	45	36.8 Å²	36.8	32%	0.315	20%	0.202	S	C	.	.			trans	-71.7	132.2	-170.8	67.7	0	0	0	0	112.7	L572 S573 N576 L580	L572-S578 WeakPolarHBondContact CA-O 3.19Å; S573-S578 PolarHBondContact N-O 2.76Å; N576-S578 VanDerWaalsContact CG-OG 3.25Å; N576-S578 PolarHBondContact ND2-OG 3.12Å; N576-S578 VanDerWaalsContact ND2-OG 3.09Å; N576-S578 PolarHBondContact O-N 2.79Å; N576-S578 WeakPolarHBondContact OD1-CB 3.2Å; N576-S578 PolarHBondContact OD1-N 3.03Å; N576-S578 VanDerWaalsContact OD1-N 3.14Å; N576-S578 PolarHBondContact OD1-OG 3.32Å; S578-L580 PolarHBondContact O-N 3.24Å; S578-L580 VanDerWaalsContact O-N 3.09Å
579	I	80.6	Confident	80.1	Confident	81 Å²	81	36.2 Å²	36.2	42%	0.415	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	104.1	168.9	-61	168.1	0	0	0	108.2	H570 L571 L572 G577 T581 T582	H570-I579 HydrophobicContact CB-CG2 4.41Å; L571-I579 CarbonylContact O-C 2.9Å; L572-I579 HydrophobicContact CD2-CB 4.29Å; L572-I579 HydrophobicContact CD2-CG1 3.47Å; L572-I579 VanDerWaalsContact CD2-CG1 3.47Å; G577-I579 PolarHBondContact O-N 2.88Å; I579-T581 WeakPolarHBondContact CG2-O 3.33Å; I579-T582 WeakPolarHBondContact CG2-OG1 3.45Å
580	L	82.1	Confident	79.9	Confident	43 Å²	43	39.2 Å²	39.2	23%	0.225	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-41	177.5	-62.9	174.6	0	0	0	111.2	I557 L571 S578 R618	I557-L580 HydrophobicContact CD1-CD1 3.9Å; I557-L580 HydrophobicContact CG1-CD1 3.91Å; L571-L580 WeakPolarHBondContact O-CB 3.49Å; L571-L580 PolarHBondContact O-N 3.08Å; S578-L580 PolarHBondContact O-N 3.24Å; S578-L580 VanDerWaalsContact O-N 3.09Å; L580-R618 WeakPolarHBondContact O-CD 3.3Å; L580-R618 PolarHBondContact O-NE 3.12Å; L580-R618 PolarHBondContact O-NH1 3.34Å; L580-R618 VanDerWaalsContact O-NH1 3.15Å
581	T	87.8	Confident	79.9	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	166.7	172.8	-168	0	0	0	0	110.4	L571 I579 S617 C620	L571-T581 HydrophobicContact CB-CG2 4.15Å; L571-T581 HydrophobicContact CD1-CG2 3.87Å; L571-T581 HydrophobicContact CG-CG2 4.18Å; L571-T581 PolarHBondContact N-O 3.44Å; I579-T581 WeakPolarHBondContact CG2-O 3.33Å; T581-S617 PolarHBondContact OG1-O 2.81Å; T581-C620 WeakPolarHBondContact CG2-SG 3.32Å; T581-C620 PolarHBondContact OG1-N 2.88Å; T581-C620 PolarHBondContact OG1-SG 2.83Å; T581-C620 VanDerWaalsContact OG1-SG 3.36Å
582	T	88.8	Confident	80	Confident	30 Å²	30	39 Å²	39	18%	0.184	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.3	176.4	-60.4	0	0	0	0	109.3	V569 H570 I579 V584 P619 C620	V569-T582 WeakPolarHBondContact O-CA 3.5Å; H570-T582 VanDerWaalsContact CE1-CG2 3.48Å; H570-T582 WeakPolarHBondContact CE1-CG2 3.37Å; H570-T582 WeakPolarHBondContact ND1-CG2 3.3Å; H570-T582 PolarHBondContact ND1-OG1 2.81Å; I579-T582 WeakPolarHBondContact CG2-OG1 3.45Å; T582-V584 HydrophobicContact CG2-CG2 4.06Å; T582-P619 WeakPolarHBondContact O-CB 3.22Å; T582-C620 PolarHBondContact O-N 2.82Å
583	A	90.3	Very high	80.3	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.7	163.3	0	0	0	0	0	109.4	S568 V569 L601 I603 F613 C620	S568-A583 WeakPolarHBondContact CA-O 3.37Å; V569-A583 PolarHBondContact N-O 2.84Å; V569-A583 PolarHBondContact O-N 3.47Å; A583-L601 HydrophobicContact CB-CD2 3.74Å; A583-I603 HydrophobicContact CB-CD1 3.64Å; A583-F613 HydrophobicContact CB-CB 4.4Å; A583-F613 HydrophobicContact CB-CD1 3.85Å; A583-F613 HydrophobicContact CB-CD2 4.1Å; A583-F613 HydrophobicContact CB-CE1 4.08Å; A583-F613 HydrophobicContact CB-CE2 4.32Å; A583-F613 HydrophobicContact CB-CG 3.86Å; A583-F613 HydrophobicContact CB-CZ 4.32Å; A583-C620 HydrophobicContact CB-CB 3.88Å
584	V	88.9	Confident	81	Confident	79 Å²	79	40.2 Å²	40.2	48%	0.479	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	-178.7	-176.9	0	0	0	0	108.1	P566 T582 F613	P566-V584 HydrophobicContact CB-CG1 3.67Å; P566-V584 HydrophobicContact CG-CG1 4.06Å; T582-V584 HydrophobicContact CG2-CG2 4.06Å; V584-F613 WeakPolarHBondContact O-CZ 3.48Å
585	C	85.7	Confident	81.6	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.7	-179.7	-75.2	0	0	0	0	110.3	P566 G567 D587 V589 Q605	P566-C585 CarbonylContact C-O 3.59Å; P566-C585 WeakPolarHBondContact CA-O 3.43Å; P566-C585 WeakPolarHBondContact CB-O 3.48Å; G567-C585 PolarHBondContact N-O 2.89Å; G567-C585 PolarHBondContact O-N 3.17Å; C585-D587 VanDerWaalsContact C-N 3.25Å; C585-D587 WeakPolarHBondContact CB-O 3.3Å; C585-D587 PolarHBondContact O-N 2.79Å; C585-V589 HydrophobicContact CB-CG2 4.39Å; C585-Q605 HydrophobicContact CB-CG 4.11Å; C585-Q605 PolarHBondContact SG-NE2 3Å
586	E	82.9	Confident	82.2	Confident	182 Å²	182	39 Å²	39	85%	0.85	20%	0.203	S	C	*	.	S	Bend	trans	-64.5	-33.9	178.4	-60.3	-176.6	174.3	0	0	111.6
587	D	85.7	Confident	82.4	Confident	37 Å²	37	41.1 Å²	41.1	20%	0.198	21%	0.212	C	C	.	.	S	Bend	trans	-100.3	165.3	175	-103.9	-48.9	0	0	0	113.6	K565 G567 C585 Q605 N607	K565-D587 VanDerWaalsContact CE-OD1 3.29Å; K565-D587 WeakPolarHBondContact CE-OD1 3.3Å; K565-D587 IonicContact NZ-OD1 2.4Å; K565-D587 PolarHBondContact NZ-OD1 2.82Å; G567-D587 PolarHBondContact N-O 2.85Å; C585-D587 VanDerWaalsContact C-N 3.25Å; C585-D587 WeakPolarHBondContact CB-O 3.3Å; C585-D587 PolarHBondContact O-N 2.79Å; D587-Q605 HydrophobicContact CB-CB 4.1Å; D587-Q605 HydrophobicContact CB-CG 4.38Å; D587-N607 PolarHBondContact OD2-ND2 3.41Å
588	T	85.8	Confident	82.7	Confident	25 Å²	25	43.6 Å²	43.6	15%	0.153	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-57.3	141.6	170.9	12.5	0	0	0	0	111.2	E563 G564 K565 Q605 S606	E563-T588 HydrophobicContact CG-CG2 4.25Å; G564-T588 WeakPolarHBondContact O-CA 3.26Å; G564-T588 WeakPolarHBondContact O-CG2 3.14Å; K565-T588 WeakPolarHBondContact CE-OG1 3.44Å; K565-T588 HydrophobicContact CG-CG2 4.06Å; T588-Q605 CarbonylContact O-C 3.59Å; T588-Q605 WeakPolarHBondContact O-CA 3.47Å; T588-S606 PolarHBondContact O-N 3.14Å; T588-S606 PolarHBondContact O-OG 3.43Å; T588-S606 WeakPolarHBondContact OG1-CB 3.38Å; T588-S606 PolarHBondContact OG1-OG 3.4Å
589	V	86.6	Confident	83.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.1	177.7	-178.3	0	0	0	0	110.8	K522 I561 V569 C585 I603	K522-V589 PolarHBondContact NZ-O 3.33Å; I561-V589 HydrophobicContact CG2-CB 3.82Å; I561-V589 HydrophobicContact CG2-CG1 3.51Å; V569-V589 HydrophobicContact CG2-CG1 4.07Å; V569-V589 HydrophobicContact CG2-CG2 4.07Å; C585-V589 HydrophobicContact CB-CG2 4.39Å; V589-I603 HydrophobicContact CB-CG2 4.27Å; V589-I603 HydrophobicContact CG1-CG2 3.54Å; V589-I603 HydrophobicContact CG2-CG2 3.76Å
590	E	85.9	Confident	83.6	Confident	63 Å²	63	44.5 Å²	44.5	29%	0.294	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-51.1	171.5	-74	-77.7	-135.5	0	0	111.6	K522 L604	K522-E590 IonicContact NZ-OE2 3.71Å; K522-E590 PolarHBondContact NZ-OE2 3.41Å; E590-L604 HydrophobicContact CB-CD2 4.01Å; E590-L604 HydrophobicContact CB-CG 4.13Å; E590-L604 PolarHBondContact N-O 2.92Å
591	D	88.3	Confident	83.9	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.5	175.5	-164.1	17.7	0	0	0	111.6	N523 L604 P638 L639	N523-D591 PolarHBondContact ND2-OD1 2.83Å; D591-L604 PolarHBondContact O-N 3.09Å; D591-P638 WeakPolarHBondContact OD2-CA 3.47Å; D591-P638 WeakPolarHBondContact OD2-CB 3.25Å; D591-L639 PolarHBondContact OD2-N 3.14Å
592	A	88.7	Confident	84.1	Confident	2 Å²	2	42 Å²	42	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	138.5	-179.5	0	0	0	0	0	113.1	V559 I561 V569 L601 F602 I603	V559-A592 HydrophobicContact CG1-CB 4.32Å; I561-A592 HydrophobicContact CD1-CB 3.73Å; I561-A592 VanDerWaalsContact CD1-N 3.25Å; I561-A592 HydrophobicContact CG1-CB 4.01Å; V569-A592 HydrophobicContact CG1-CB 3.99Å; V569-A592 HydrophobicContact CG2-CB 3.83Å; A592-L601 HydrophobicContact CB-CD1 4.46Å; A592-F602 CarbonylContact C-O 3.59Å; A592-F602 VanDerWaalsContact CA-O 3.29Å; A592-F602 WeakPolarHBondContact CA-O 3.33Å; A592-I603 HydrophobicContact CB-CG1 4.24Å; A592-I603 HydrophobicContact CB-CG2 4.36Å
593	T	87.9	Confident	84.2	Confident	18 Å²	18	40.6 Å²	40.6	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.6	-180	-168	0	0	0	0	111.6	F602 L639 L641 L670	T593-F602 HydrophobicContact CG2-CB 4.07Å; T593-F602 HydrophobicContact CG2-CD2 4.38Å; T593-F602 PolarHBondContact N-O 3.34Å; T593-F602 PolarHBondContact O-N 3.31Å; T593-L639 HydrophobicContact CG2-CB 3.76Å; T593-L639 HydrophobicContact CG2-CD1 4.39Å; T593-L641 HydrophobicContact CG2-CD1 3.82Å; T593-L641 HydrophobicContact CG2-CG 4.05Å; T593-L670 HydrophobicContact CG2-CD1 3.78Å
594	W	86.3	Confident	84.3	Confident	24 Å²	24	40.6 Å²	40.6	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.3	-176.7	176	63	0	0	0	111.2	I527 I557 V559 L571 W596 L601 T615	I527-W594 HydrophobicContact CB-CE3 4.41Å; I527-W594 HydrophobicContact CD1-CB 3.81Å; I527-W594 HydrophobicContact CD1-CE3 3.83Å; I527-W594 WeakPolarHBondContact CD1-O 3.49Å; I527-W594 HydrophobicContact CG2-CE3 4.15Å; I527-W594 HydrophobicContact CG2-CZ3 4.19Å; I557-W594 HydrophobicContact CB-CZ3 3.98Å; I557-W594 HydrophobicContact CD1-CH2 3.46Å; I557-W594 VanDerWaalsContact CD1-CH2 3.46Å; I557-W594 HydrophobicContact CD1-CZ2 4.47Å; I557-W594 HydrophobicContact CD1-CZ3 3.6Å; I557-W594 HydrophobicContact CG1-CZ3 4.37Å; I557-W594 HydrophobicContact CG2-CE3 4.19Å; I557-W594 HydrophobicContact CG2-CZ3 4.03Å; V559-W594 HydrophobicContact CG2-CB 4.15Å; L571-W594 HydrophobicContact CD1-CD2 4.21Å; L571-W594 HydrophobicContact CD1-CG 4.14Å; L571-W594 HydrophobicContact CD2-CB 4.34Å; L571-W594 HydrophobicContact CD2-CG 4.35Å; W594-W596 HydrophobicContact CH2-CB 3.52Å; W594-W596 HydrophobicContact CZ2-CB 3.72Å; W594-W596 HydrophobicContact CZ3-CB 4.1Å; W594-L601 HydrophobicContact CB-CD1 3.98Å; W594-T615 PolarHBondContact NE1-OG1 3.17Å
595	H	78.8	Confident	84.4	Confident	16 Å²	16	37.4 Å²	37.4	7%	0.074	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.3	167.3	-154.8	-86.3	0	0	0	112.5	M597 L598 E599 K600 L641 L668	H595-M597 PolarHBondContact ND1-N 2.95Å; H595-M597 PolarHBondContact O-N 3.08Å; H595-L598 HydrophobicContact CB-CB 4.16Å; H595-L598 HydrophobicContact CB-CD1 4.05Å; H595-L598 HydrophobicContact CB-CG 4.13Å; H595-L598 PolarHBondContact O-N 2.79Å; H595-L598 VanDerWaalsContact O-N 3.15Å; H595-E599 PolarHBondContact O-N 2.98Å; H595-K600 PolarHBondContact N-O 3.43Å; H595-L641 HydrophobicContact CB-CD1 3.74Å; H595-L668 VanDerWaalsContact CE1-CD1 3.42Å; H595-L668 WeakPolarHBondContact CE1-CD1 3.46Å; H595-L668 WeakPolarHBondContact NE2-CD2 3.39Å
596	W	71.6	Confident	84.4	Confident	75 Å²	75	39.3 Å²	39.3	28%	0.284	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-57.9	-49.4	-179.7	71.4	-83.6	0	0	0	112.9	L529 Y533 W594 L598 E599	L529-W596 HydrophobicContact CD2-CB 3.81Å; L529-W596 HydrophobicContact CD2-CD2 3.85Å; L529-W596 HydrophobicContact CD2-CG 3.35Å; Y533-W596 AromaticContact CE2-CH2 3.92Å; Y533-W596 HydrophobicContact CE2-CH2 3.92Å; Y533-W596 AromaticContact CE2-CZ2 3.73Å; Y533-W596 HydrophobicContact CE2-CZ2 3.73Å; W594-W596 HydrophobicContact CH2-CB 3.52Å; W594-W596 HydrophobicContact CZ2-CB 3.72Å; W594-W596 HydrophobicContact CZ3-CB 4.1Å; W596-L598 PolarHBondContact O-N 3.02Å; W596-L598 VanDerWaalsContact O-N 3.09Å; W596-E599 PolarHBondContact O-N 3.05Å
597	M	64.3	Low	84.6	Confident	104 Å²	104	33.5 Å²	33.5	51%	0.512	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-65.9	-13.1	-179.9	-53.2	-178.4	75.6	0	0	114.8	H595	H595-M597 PolarHBondContact ND1-N 2.95Å; H595-M597 PolarHBondContact O-N 3.08Å
598	L	72	Confident	84.7	Confident	58 Å²	58	31.8 Å²	31.8	30%	0.304	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-100.6	-10.6	175.6	-63.4	179.7	0	0	0	112.1	H595 W596 K600 F602 L668 T684	H595-L598 HydrophobicContact CB-CB 4.16Å; H595-L598 HydrophobicContact CB-CD1 4.05Å; H595-L598 HydrophobicContact CB-CG 4.13Å; H595-L598 PolarHBondContact O-N 2.79Å; H595-L598 VanDerWaalsContact O-N 3.15Å; W596-L598 PolarHBondContact O-N 3.02Å; W596-L598 VanDerWaalsContact O-N 3.09Å; L598-K600 HydrophobicContact CB-CB 4.03Å; L598-K600 HydrophobicContact CB-CG 4.4Å; L598-K600 WeakPolarHBondContact O-CG 3.29Å; L598-K600 PolarHBondContact O-N 2.71Å; L598-K600 VanDerWaalsContact O-N 3.12Å; L598-F602 HydrophobicContact CD1-CE2 4.21Å; L598-F602 HydrophobicContact CD1-CZ 4.16Å; L598-L668 HydrophobicContact CD1-CB 4.48Å; L598-L668 HydrophobicContact CD1-CD1 3.81Å; L598-L668 HydrophobicContact CD2-CD1 4Å; L598-L668 HydrophobicContact CG-CD1 3.73Å; L598-T684 HydrophobicContact CD1-CG2 4.23Å
599	E	80.6	Confident	84.9	Confident	112 Å²	112	32.9 Å²	32.9	52%	0.523	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	34.6	-167.9	-52.6	-169.6	132.7	0	0	112.8	H595 W596 S614 T615 C616	H595-E599 PolarHBondContact O-N 2.98Å; W596-E599 PolarHBondContact O-N 3.05Å; E599-S614 WeakPolarHBondContact O-CA 3.39Å; E599-T615 VanDerWaalsContact C-OG1 3.31Å; E599-T615 PolarHBondContact O-N 3.02Å; E599-T615 PolarHBondContact O-OG1 2.98Å; E599-C616 VanDerWaalsContact CB-SG 3.5Å; E599-C616 PolarHBondContact OE2-SG 3.42Å
600	K	85.8	Confident	85.2	Confident	33 Å²	33	32.9 Å²	32.9	14%	0.143	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.8	-174.9	-80.5	-177.5	179.1	-165.3	0	111.9	H595 L598 F602 V612 F613 L623 T684 K685	H595-K600 PolarHBondContact N-O 3.43Å; L598-K600 HydrophobicContact CB-CB 4.03Å; L598-K600 HydrophobicContact CB-CG 4.4Å; L598-K600 WeakPolarHBondContact O-CG 3.29Å; L598-K600 PolarHBondContact O-N 2.71Å; L598-K600 VanDerWaalsContact O-N 3.12Å; K600-F602 HydrophobicContact CB-CE2 3.84Å; K600-F602 HydrophobicContact CB-CZ 3.88Å; K600-F602 HydrophobicContact CD-CE1 4.13Å; K600-F602 HydrophobicContact CD-CZ 3.72Å; K600-F602 HydrophobicContact CG-CZ 4.47Å; K600-V612 HydrophobicContact CB-CG1 4.49Å; K600-V612 HydrophobicContact CD-CG1 3.82Å; K600-V612 HydrophobicContact CG-CG1 4.15Å; K600-F613 CarbonylContact C-O 3.56Å; K600-F613 VanDerWaalsContact CA-O 3.3Å; K600-F613 WeakPolarHBondContact CA-O 3.28Å; K600-L623 HydrophobicContact CG-CD1 4.14Å; K600-T684 PolarHBondContact NZ-O 2.71Å; K600-K685 PolarHBondContact NZ-O 3.44Å
601	L	90.2	Very high	85.4	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.5	167.9	171.9	65	0	0	0	108.2	V559 V569 A583 A592 W594 I603 V612 F613 T615	V559-L601 HydrophobicContact CG1-CD1 4.35Å; V569-L601 HydrophobicContact CB-CD2 4.27Å; V569-L601 HydrophobicContact CG1-CD1 4.22Å; V569-L601 HydrophobicContact CG1-CD2 4.03Å; A583-L601 HydrophobicContact CB-CD2 3.74Å; A592-L601 HydrophobicContact CB-CD1 4.46Å; W594-L601 HydrophobicContact CB-CD1 3.98Å; L601-I603 HydrophobicContact CD1-CG1 4.39Å; L601-I603 HydrophobicContact CD2-CD1 3.89Å; L601-I603 HydrophobicContact CD2-CG1 4.2Å; L601-I603 HydrophobicContact CG-CD1 4.09Å; L601-I603 HydrophobicContact CG-CG1 3.85Å; L601-V612 WeakPolarHBondContact O-CA 3.34Å; L601-F613 HydrophobicContact CB-CB 4.29Å; L601-F613 PolarHBondContact N-O 3.35Å; L601-F613 PolarHBondContact O-N 3.11Å; L601-T615 HydrophobicContact CB-CG2 3.8Å
602	F	91.1	Very high	85.6	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	178	-54.5	-93.3	0	0	0	108.2	A592 T593 L598 K600 I610 V612 W626 L641 L670 T684	A592-F602 CarbonylContact C-O 3.59Å; A592-F602 VanDerWaalsContact CA-O 3.29Å; A592-F602 WeakPolarHBondContact CA-O 3.33Å; T593-F602 HydrophobicContact CG2-CB 4.07Å; T593-F602 HydrophobicContact CG2-CD2 4.38Å; T593-F602 PolarHBondContact N-O 3.34Å; T593-F602 PolarHBondContact O-N 3.31Å; L598-F602 HydrophobicContact CD1-CE2 4.21Å; L598-F602 HydrophobicContact CD1-CZ 4.16Å; K600-F602 HydrophobicContact CB-CE2 3.84Å; K600-F602 HydrophobicContact CB-CZ 3.88Å; K600-F602 HydrophobicContact CD-CE1 4.13Å; K600-F602 HydrophobicContact CD-CZ 3.72Å; K600-F602 HydrophobicContact CG-CZ 4.47Å; F602-I610 HydrophobicContact CB-CG2 4.28Å; F602-V612 HydrophobicContact CD1-CB 4.42Å; F602-V612 HydrophobicContact CD1-CG1 3.93Å; F602-V612 HydrophobicContact CD1-CG2 3.8Å; F602-V612 HydrophobicContact CE1-CG1 3.81Å; F602-V612 HydrophobicContact CE1-CG2 4.18Å; F602-W626 HydrophobicContact CD1-CH2 4.16Å; F602-W626 AromaticContact CD1-CZ3 3.87Å; F602-W626 HydrophobicContact CD1-CZ3 3.87Å; F602-W626 AromaticContact CE1-CH2 3.63Å; F602-W626 HydrophobicContact CE1-CH2 3.63Å; F602-W626 AromaticContact CE1-CZ3 3.78Å; F602-W626 HydrophobicContact CE1-CZ3 3.78Å; F602-L641 HydrophobicContact CD2-CD1 4.07Å; F602-L641 HydrophobicContact CE2-CD1 4.14Å; F602-L641 HydrophobicContact CE2-CD2 4.23Å; F602-L670 HydrophobicContact CB-CD2 4.4Å; F602-L670 HydrophobicContact CD1-CD2 3.86Å; F602-L670 HydrophobicContact CE1-CD2 4.39Å; F602-L670 HydrophobicContact CG-CD1 4.47Å; F602-L670 HydrophobicContact CG-CD2 4.17Å; F602-T684 HydrophobicContact CZ-CG2 4.33Å
603	I	91.6	Very high	85.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.9	-174.3	-51.1	179.6	0	0	0	108.6	V569 A583 V589 A592 L601 I610 A611 F613	V569-I603 HydrophobicContact CB-CD1 4.04Å; V569-I603 HydrophobicContact CG2-CD1 3.78Å; V569-I603 HydrophobicContact CG2-CG1 4.16Å; V569-I603 HydrophobicContact CG2-CG2 4Å; A583-I603 HydrophobicContact CB-CD1 3.64Å; V589-I603 HydrophobicContact CB-CG2 4.27Å; V589-I603 HydrophobicContact CG1-CG2 3.54Å; V589-I603 HydrophobicContact CG2-CG2 3.76Å; A592-I603 HydrophobicContact CB-CG1 4.24Å; A592-I603 HydrophobicContact CB-CG2 4.36Å; L601-I603 HydrophobicContact CD1-CG1 4.39Å; L601-I603 HydrophobicContact CD2-CD1 3.89Å; L601-I603 HydrophobicContact CD2-CG1 4.2Å; L601-I603 HydrophobicContact CG-CD1 4.09Å; L601-I603 HydrophobicContact CG-CG1 3.85Å; I603-I610 CarbonylContact O-C 3.13Å; I603-I610 WeakPolarHBondContact O-CA 3.33Å; I603-A611 PolarHBondContact N-O 3.09Å; I603-A611 PolarHBondContact O-N 3.29Å; I603-F613 HydrophobicContact CD1-CD2 3.61Å; I603-F613 HydrophobicContact CD1-CE2 3.73Å; I603-F613 HydrophobicContact CD1-CG 4.5Å; I603-F613 HydrophobicContact CG1-CD2 4.22Å
604	L	91.5	Very high	85.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.4	170.3	-179.5	66.8	0	0	0	108.8	E590 D591 I610 G637 L639	E590-L604 HydrophobicContact CB-CD2 4.01Å; E590-L604 HydrophobicContact CB-CG 4.13Å; E590-L604 PolarHBondContact N-O 2.92Å; D591-L604 PolarHBondContact O-N 3.09Å; L604-I610 HydrophobicContact CD1-CG1 3.85Å; L604-G637 WeakPolarHBondContact CD2-O 3.35Å; L604-L639 HydrophobicContact CB-CD1 3.77Å; L604-L639 HydrophobicContact CB-CG 4.16Å
605	Q	90.3	Very high	85.8	Confident	13 Å²	13	29.2 Å²	29.2	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	157.5	174	-69.5	177.5	-0.1	0	0	110.9	C585 D587 T588 N607 G608 D609	C585-Q605 HydrophobicContact CB-CG 4.11Å; C585-Q605 PolarHBondContact SG-NE2 3Å; D587-Q605 HydrophobicContact CB-CB 4.1Å; D587-Q605 HydrophobicContact CB-CG 4.38Å; T588-Q605 CarbonylContact O-C 3.59Å; T588-Q605 WeakPolarHBondContact O-CA 3.47Å; Q605-N607 WeakPolarHBondContact CB-OD1 3.49Å; Q605-N607 PolarHBondContact O-N 3.2Å; Q605-N607 PolarHBondContact OE1-ND2 3.39Å; Q605-G608 WeakPolarHBondContact O-CA 3.04Å; Q605-G608 PolarHBondContact O-N 3.38Å; Q605-D609 PolarHBondContact N-O 3.13Å
606	S	86.9	Confident	85.9	Confident	43 Å²	43	32.4 Å²	32.4	30%	0.301	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.6	-179.7	58.4	0	0	0	0	114.8	T588	T588-S606 PolarHBondContact O-N 3.14Å; T588-S606 PolarHBondContact O-OG 3.43Å; T588-S606 WeakPolarHBondContact OG1-CB 3.38Å; T588-S606 PolarHBondContact OG1-OG 3.4Å
607	N	86.7	Confident	86	Confident	60 Å²	60	30.2 Å²	30.2	32%	0.321	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-14.2	169.1	55.8	29.2	0	0	0	112.4	D587 Q605 D609	D587-N607 PolarHBondContact OD2-ND2 3.41Å; Q605-N607 WeakPolarHBondContact CB-OD1 3.49Å; Q605-N607 PolarHBondContact O-N 3.2Å; Q605-N607 PolarHBondContact OE1-ND2 3.39Å; N607-D609 WeakPolarHBondContact OD1-CB 3.35Å; N607-D609 PolarHBondContact OD1-N 2.81Å
608	G	87.1	Confident	86.7	Confident	1 Å²	1	34 Å²	34	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	91	10.8	-179.3	0	0	0	0	0	115.4	Q605 Y635	Q605-G608 WeakPolarHBondContact O-CA 3.04Å; Q605-G608 PolarHBondContact O-N 3.38Å; G608-Y635 VanDerWaalsContact CA-O 3.29Å; G608-Y635 WeakPolarHBondContact CA-O 3.45Å; G608-Y635 WeakPolarHBondContact O-CB 3.44Å; G608-Y635 VanDerWaalsContact O-CD2 3.31Å; G608-Y635 WeakPolarHBondContact O-CD2 3.26Å; G608-Y635 PolarHBondContact O-N 2.77Å
609	D	90.8	Very high	87.1	Confident	47 Å²	47	36 Å²	36	25%	0.251	19%	0.192	S	C	.	.			trans	-90.2	147.8	170.5	-72.5	-11.7	0	0	0	111.4	Q605 N607 I625 S627	Q605-D609 PolarHBondContact N-O 3.13Å; N607-D609 WeakPolarHBondContact OD1-CB 3.35Å; N607-D609 PolarHBondContact OD1-N 2.81Å; D609-I625 HydrophobicContact CB-CG2 3.66Å; D609-S627 WeakPolarHBondContact OD1-CA 3.46Å; D609-S627 WeakPolarHBondContact OD1-CB 3.41Å
610	I	92	Very high	87.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	106.7	173.4	-58.9	164.6	0	0	0	109.2	F602 I603 L604 V612 W626 Y635 L639 V672 L682	F602-I610 HydrophobicContact CB-CG2 4.28Å; I603-I610 CarbonylContact O-C 3.13Å; I603-I610 WeakPolarHBondContact O-CA 3.33Å; L604-I610 HydrophobicContact CD1-CG1 3.85Å; I610-V612 HydrophobicContact CG2-CG2 4.41Å; I610-W626 HydrophobicContact CB-CB 4.28Å; I610-W626 HydrophobicContact CB-CE3 4.45Å; I610-W626 HydrophobicContact CG2-CE3 4.16Å; I610-W626 PolarHBondContact N-O 3.27Å; I610-W626 PolarHBondContact O-N 2.84Å; I610-Y635 HydrophobicContact CD1-CD2 3.73Å; I610-Y635 HydrophobicContact CD1-CE2 4.11Å; I610-Y635 HydrophobicContact CD1-CG 4.02Å; I610-Y635 HydrophobicContact CG1-CD2 3.94Å; I610-Y635 HydrophobicContact CG1-CG 4.43Å; I610-L639 HydrophobicContact CD1-CD2 4.04Å; I610-L639 HydrophobicContact CG1-CD2 4.43Å; I610-V672 HydrophobicContact CD1-CB 4.42Å; I610-V672 HydrophobicContact CD1-CG1 4.27Å; I610-V672 HydrophobicContact CD1-CG2 4.2Å; I610-L682 HydrophobicContact CD1-CD1 3.42Å; I610-L682 VanDerWaalsContact CD1-CD1 3.42Å
611	A	91.8	Very high	87.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.6	173.2	0	0	0	0	0	110.5	I603 F613 L622	I603-A611 PolarHBondContact N-O 3.09Å; I603-A611 PolarHBondContact O-N 3.29Å; A611-F613 HydrophobicContact CB-CD2 4.29Å; A611-F613 HydrophobicContact CB-CE2 3.7Å; A611-L622 HydrophobicContact CB-CD1 4.02Å
612	V	91.8	Very high	87.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.7	-177.2	-172.2	0	0	0	0	109.4	K600 L601 F602 I610 L623 S624 W626	K600-V612 HydrophobicContact CB-CG1 4.49Å; K600-V612 HydrophobicContact CD-CG1 3.82Å; K600-V612 HydrophobicContact CG-CG1 4.15Å; L601-V612 WeakPolarHBondContact O-CA 3.34Å; F602-V612 HydrophobicContact CD1-CB 4.42Å; F602-V612 HydrophobicContact CD1-CG1 3.93Å; F602-V612 HydrophobicContact CD1-CG2 3.8Å; F602-V612 HydrophobicContact CE1-CG1 3.81Å; F602-V612 HydrophobicContact CE1-CG2 4.18Å; I610-V612 HydrophobicContact CG2-CG2 4.41Å; V612-L623 WeakPolarHBondContact O-CB 3.36Å; V612-L623 PolarHBondContact O-N 2.79Å; V612-S624 PolarHBondContact N-O 3.41Å; V612-S624 PolarHBondContact O-N 3.16Å; V612-W626 HydrophobicContact CG2-CD2 3.68Å; V612-W626 HydrophobicContact CG2-CE3 3.8Å; V612-W626 HydrophobicContact CG2-CG 4.36Å; V612-W626 HydrophobicContact CG2-CH2 4.04Å; V612-W626 HydrophobicContact CG2-CZ2 3.88Å; V612-W626 HydrophobicContact CG2-CZ3 3.99Å
613	F	91.5	Very high	87.3	Confident	11 Å²	11	41 Å²	41	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.9	-177.8	-75.8	-96.5	0	0	0	111.6	A583 V584 K600 L601 I603 A611 C620 L622	A583-F613 HydrophobicContact CB-CB 4.4Å; A583-F613 HydrophobicContact CB-CD1 3.85Å; A583-F613 HydrophobicContact CB-CD2 4.1Å; A583-F613 HydrophobicContact CB-CE1 4.08Å; A583-F613 HydrophobicContact CB-CE2 4.32Å; A583-F613 HydrophobicContact CB-CG 3.86Å; A583-F613 HydrophobicContact CB-CZ 4.32Å; V584-F613 WeakPolarHBondContact O-CZ 3.48Å; K600-F613 CarbonylContact C-O 3.56Å; K600-F613 VanDerWaalsContact CA-O 3.3Å; K600-F613 WeakPolarHBondContact CA-O 3.28Å; L601-F613 HydrophobicContact CB-CB 4.29Å; L601-F613 PolarHBondContact N-O 3.35Å; L601-F613 PolarHBondContact O-N 3.11Å; I603-F613 HydrophobicContact CD1-CD2 3.61Å; I603-F613 HydrophobicContact CD1-CE2 3.73Å; I603-F613 HydrophobicContact CD1-CG 4.5Å; I603-F613 HydrophobicContact CG1-CD2 4.22Å; A611-F613 HydrophobicContact CB-CD2 4.29Å; A611-F613 HydrophobicContact CB-CE2 3.7Å; F613-C620 HydrophobicContact CB-CB 4.04Å; F613-C620 HydrophobicContact CD1-CB 3.85Å; F613-C620 HydrophobicContact CG-CB 4.32Å; F613-L622 HydrophobicContact CD1-CB 4.22Å; F613-L622 HydrophobicContact CD2-CD1 4.19Å; F613-L622 HydrophobicContact CE1-CB 3.94Å; F613-L622 HydrophobicContact CE1-CD1 4.3Å; F613-L622 HydrophobicContact CE2-CD1 3.85Å; F613-L622 HydrophobicContact CZ-CB 4.33Å; F613-L622 HydrophobicContact CZ-CD1 3.91Å
614	S	88.5	Confident	87.2	Confident	13 Å²	13	42.7 Å²	42.7	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.5	165.4	176.3	0	0	0	0	110.3	E599 C616 S617 C620 S621	E599-S614 WeakPolarHBondContact O-CA 3.39Å; S614-C616 WeakPolarHBondContact OG-CB 3.44Å; S614-C616 PolarHBondContact OG-N 2.83Å; S614-C616 PolarHBondContact OG-SG 2.91Å; S614-S617 PolarHBondContact O-OG 2.93Å; S614-C620 WeakPolarHBondContact O-CA 3.34Å; S614-C620 VanDerWaalsContact O-CB 3.3Å; S614-C620 WeakPolarHBondContact O-CB 3.28Å; S614-C620 PolarHBondContact O-SG 3.32Å; S614-S621 PolarHBondContact N-O 3.38Å
615	T	86.7	Confident	87.1	Confident	25 Å²	25	46.8 Å²	46.8	15%	0.153	26%	0.26	C	S	.	.	S	Bend	trans	-96.7	3.3	171.5	62.9	0	0	0	0	113.2	L571 W594 E599 L601 S617	L571-T615 HydrophobicContact CD1-CG2 3.83Å; W594-T615 PolarHBondContact NE1-OG1 3.17Å; E599-T615 VanDerWaalsContact C-OG1 3.31Å; E599-T615 PolarHBondContact O-N 3.02Å; E599-T615 PolarHBondContact O-OG1 2.98Å; L601-T615 HydrophobicContact CB-CG2 3.8Å; T615-S617 PolarHBondContact O-N 3.18Å
616	C	80.5	Confident	87.1	Confident	83 Å²	83	47.1 Å²	47.1	56%	0.561	26%	0.261	S	S	*	.	S	Bend	trans	-69.8	-20.8	170.9	-37.8	0	0	0	0	111.9	E599 S614	E599-C616 VanDerWaalsContact CB-SG 3.5Å; E599-C616 PolarHBondContact OE2-SG 3.42Å; S614-C616 WeakPolarHBondContact OG-CB 3.44Å; S614-C616 PolarHBondContact OG-N 2.83Å; S614-C616 PolarHBondContact OG-SG 2.91Å
617	S	74.5	Confident	87	Confident	30 Å²	30	48.6 Å²	48.6	21%	0.21	27%	0.271	C	S	.	.	S	Bend	trans	-109.4	152	-176.6	42.7	0	0	0	0	112.2	T581 S614 T615 P619 S621	T581-S617 PolarHBondContact OG1-O 2.81Å; S614-S617 PolarHBondContact O-OG 2.93Å; T615-S617 PolarHBondContact O-N 3.18Å; S617-P619 CarbonylContact C-O 3.6Å; S617-P619 CarbonylContact O-C 3.55Å; S617-S621 WeakPolarHBondContact OG-CB 3.2Å; S617-S621 PolarHBondContact OG-N 3.4Å; S617-S621 PolarHBondContact OG-OG 3.02Å
618	R	79.6	Confident	86.7	Confident	184 Å²	184	46.7 Å²	46.7	69%	0.694	26%	0.263	S	S	*	.	S	Bend	trans	-134.9	112.4	-179.9	-58	-172.7	-178.1	-162.8	3.5	110	L580	L580-R618 WeakPolarHBondContact O-CD 3.3Å; L580-R618 PolarHBondContact O-NE 3.12Å; L580-R618 PolarHBondContact O-NH1 3.34Å; L580-R618 VanDerWaalsContact O-NH1 3.15Å
619	P	79.8	Confident	85.8	Confident	99 Å²	99	51.3 Å²	51.3	64%	0.643	30%	0.295	S	S	*	.	S	Bend	cis	-58.9	164.8	-11	29.6	-36.8	0	0	0	112.1	T582 S617 S621	T582-P619 WeakPolarHBondContact O-CB 3.22Å; S617-P619 CarbonylContact C-O 3.6Å; S617-P619 CarbonylContact O-C 3.55Å; P619-S621 PolarHBondContact O-N 2.63Å
620	C	87	Confident	84.8	Confident	12 Å²	12	52.2 Å²	52.2	8%	0.081	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.5	133.4	-178.7	-77.5	0	0	0	0	112.2	T581 T582 A583 F613 S614	T581-C620 WeakPolarHBondContact CG2-SG 3.32Å; T581-C620 PolarHBondContact OG1-N 2.88Å; T581-C620 PolarHBondContact OG1-SG 2.83Å; T581-C620 VanDerWaalsContact OG1-SG 3.36Å; T582-C620 PolarHBondContact O-N 2.82Å; A583-C620 HydrophobicContact CB-CB 3.88Å; F613-C620 HydrophobicContact CB-CB 4.04Å; F613-C620 HydrophobicContact CD1-CB 3.85Å; F613-C620 HydrophobicContact CG-CB 4.32Å; S614-C620 WeakPolarHBondContact O-CA 3.34Å; S614-C620 VanDerWaalsContact O-CB 3.3Å; S614-C620 WeakPolarHBondContact O-CB 3.28Å; S614-C620 PolarHBondContact O-SG 3.32Å
621	S	87	Confident	83.4	Confident	54 Å²	54	59.7 Å²	59.7	38%	0.378	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.5	175.9	58.7	0	0	0	0	111.2	S614 S617 P619 L623	S614-S621 PolarHBondContact N-O 3.38Å; S617-S621 WeakPolarHBondContact OG-CB 3.2Å; S617-S621 PolarHBondContact OG-N 3.4Å; S617-S621 PolarHBondContact OG-OG 3.02Å; P619-S621 PolarHBondContact O-N 2.63Å; S621-L623 PolarHBondContact O-N 2.94Å
622	L	90	Very high	82.5	Confident	87 Å²	87	67 Å²	67	46%	0.455	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	133.3	172	-176	68.6	0	0	0	110.6	A611 F613 I625	A611-L622 HydrophobicContact CB-CD1 4.02Å; F613-L622 HydrophobicContact CD1-CB 4.22Å; F613-L622 HydrophobicContact CD2-CD1 4.19Å; F613-L622 HydrophobicContact CE1-CB 3.94Å; F613-L622 HydrophobicContact CE1-CD1 4.3Å; F613-L622 HydrophobicContact CE2-CD1 3.85Å; F613-L622 HydrophobicContact CZ-CB 4.33Å; F613-L622 HydrophobicContact CZ-CD1 3.91Å; L622-I625 HydrophobicContact CD1-CG1 4.07Å; L622-I625 HydrophobicContact CD2-CD1 4.07Å; L622-I625 HydrophobicContact CD2-CG1 4.04Å
623	L	88	Confident	81.6	Confident	97 Å²	97	67.9 Å²	67.9	51%	0.508	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-44	177.8	-65.5	175.3	0	0	0	111.8	K600 V612 S621	K600-L623 HydrophobicContact CG-CD1 4.14Å; V612-L623 WeakPolarHBondContact O-CB 3.36Å; V612-L623 PolarHBondContact O-N 2.79Å; S621-L623 PolarHBondContact O-N 2.94Å
624	S	89.7	Confident	81.2	Confident	37 Å²	37	71 Å²	71	26%	0.259	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	155.8	179.6	58	0	0	0	0	110.8	V612 W626	V612-S624 PolarHBondContact N-O 3.41Å; V612-S624 PolarHBondContact O-N 3.16Å; S624-W626 PolarHBondContact OG-NE1 2.81Å; S624-W626 VanDerWaalsContact OG-NE1 3.07Å
625	I	89.3	Confident	81.2	Confident	86 Å²	86	70.6 Å²	70.6	44%	0.441	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.3	165.4	-58.9	176.3	0	0	0	107.1	D609 L622	D609-I625 HydrophobicContact CB-CG2 3.66Å; L622-I625 HydrophobicContact CD1-CG1 4.07Å; L622-I625 HydrophobicContact CD2-CD1 4.07Å; L622-I625 HydrophobicContact CD2-CG1 4.04Å
626	W	90.3	Very high	80.9	Confident	21 Å²	21	73.7 Å²	73.7	8%	0.08	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	100.9	-179.8	-59.4	-23.3	0	0	0	109.9	F602 I610 V612 S624 L670 L682 C683	F602-W626 HydrophobicContact CD1-CH2 4.16Å; F602-W626 AromaticContact CD1-CZ3 3.87Å; F602-W626 HydrophobicContact CD1-CZ3 3.87Å; F602-W626 AromaticContact CE1-CH2 3.63Å; F602-W626 HydrophobicContact CE1-CH2 3.63Å; F602-W626 AromaticContact CE1-CZ3 3.78Å; F602-W626 HydrophobicContact CE1-CZ3 3.78Å; I610-W626 HydrophobicContact CB-CB 4.28Å; I610-W626 HydrophobicContact CB-CE3 4.45Å; I610-W626 HydrophobicContact CG2-CE3 4.16Å; I610-W626 PolarHBondContact N-O 3.27Å; I610-W626 PolarHBondContact O-N 2.84Å; V612-W626 HydrophobicContact CG2-CD2 3.68Å; V612-W626 HydrophobicContact CG2-CE3 3.8Å; V612-W626 HydrophobicContact CG2-CG 4.36Å; V612-W626 HydrophobicContact CG2-CH2 4.04Å; V612-W626 HydrophobicContact CG2-CZ2 3.88Å; V612-W626 HydrophobicContact CG2-CZ3 3.99Å; S624-W626 PolarHBondContact OG-NE1 2.81Å; S624-W626 VanDerWaalsContact OG-NE1 3.07Å; W626-L670 HydrophobicContact CE3-CD2 4.49Å; W626-L670 HydrophobicContact CZ3-CD2 3.87Å; W626-L682 HydrophobicContact CE3-CD1 4.47Å; W626-C683 WeakPolarHBondContact CH2-O 3.49Å
627	S	85.3	Confident	80.7	Confident	73 Å²	73	70.7 Å²	70.7	51%	0.51	38%	0.384	S	S	.	.			trans	-77.7	167.5	166.8	59.8	0	0	0	0	111.5	D609 Y635	D609-S627 WeakPolarHBondContact OD1-CA 3.46Å; D609-S627 WeakPolarHBondContact OD1-CB 3.41Å; S627-Y635 VanDerWaalsContact C-CE2 3.5Å; S627-Y635 WeakPolarHBondContact O-CE2 3.37Å; S627-Y635 PolarHBondContact O-OH 2.83Å
628	S	79.3	Confident	80.9	Confident	20 Å²	20	70.3 Å²	70.3	14%	0.14	38%	0.381	C	S	.	.			trans	-73.2	151.2	166.1	-177.5	0	0	0	0	110.6	E630 V633 Q674	S628-E630 PolarHBondContact OG-N 2.9Å; S628-V633 WeakPolarHBondContact CB-O 3.32Å; S628-V633 PolarHBondContact OG-O 2.73Å; S628-Q674 PolarHBondContact OG-NE2 3.04Å
629	S	69.1	Low	81.2	Confident	99 Å²	99	62.1 Å²	62.1	69%	0.692	35%	0.351	S	S	*	.	S	Bend	trans	-97.6	4.7	176.3	63.8	0	0	0	0	113.9
630	E	68.5	Low	81.3	Confident	65 Å²	65	58.9 Å²	58.9	30%	0.304	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-108.4	123	178.3	-76	173.8	-115.4	0	0	109.8	S628 V633 K692	S628-E630 PolarHBondContact OG-N 2.9Å; E630-V633 HydrophobicContact CB-CB 3.99Å; E630-V633 HydrophobicContact CB-CG2 4.38Å; E630-V633 PolarHBondContact O-N 3.45Å; E630-V633 VanDerWaalsContact O-O 3.08Å; E630-K692 IonicContact OE1-NZ 3.12Å; E630-K692 PolarHBondContact OE1-NZ 3.1Å; E630-K692 IonicContact OE2-NZ 3.91Å; E630-K692 PolarHBondContact OE2-NZ 3.33Å
631	D	62.2	Low	80.8	Confident	157 Å²	157	59.2 Å²	59.2	84%	0.84	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	145.1	171.7	-61.6	-53.4	0	0	0	110.8	V633	D631-V633 PolarHBondContact O-N 3.29Å
632	D	73.1	Confident	79.9	Confident	153 Å²	153	57.2 Å²	57.2	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-1.8	-173.4	-65.4	-30	0	0	0	117.4
633	V	74.7	Confident	78.4	Confident	20 Å²	20	54 Å²	54	12%	0.121	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-119.6	114.3	-179.3	-172.9	0	0	0	0	111.2	S628 E630 D631 Q674 D676	S628-V633 WeakPolarHBondContact CB-O 3.32Å; S628-V633 PolarHBondContact OG-O 2.73Å; E630-V633 HydrophobicContact CB-CB 3.99Å; E630-V633 HydrophobicContact CB-CG2 4.38Å; E630-V633 PolarHBondContact O-N 3.45Å; E630-V633 VanDerWaalsContact O-O 3.08Å; D631-V633 PolarHBondContact O-N 3.29Å; V633-Q674 HydrophobicContact CG1-CB 3.87Å; V633-Q674 HydrophobicContact CG1-CG 4.05Å; V633-D676 HydrophobicContact CG1-CB 4.39Å
634	F	82.9	Confident	76.7	Confident	75 Å²	75	52 Å²	52	33%	0.329	29%	0.289	S	S	.	.			trans	-114.1	160.4	179.5	59.7	-88.9	0	0	0	110.9	R636 Q674 S675	F634-R636 HydrophobicContact CD2-CB 4.29Å; F634-R636 HydrophobicContact CE2-CB 4.07Å; F634-R636 HydrophobicContact CE2-CG 4.15Å; F634-Q674 CarbonylContact O-C 3.39Å; F634-Q674 WeakPolarHBondContact O-CA 3.21Å; F634-S675 WeakPolarHBondContact CD1-OG 3.38Å; F634-S675 VanDerWaalsContact CE1-CB 3.49Å; F634-S675 PolarHBondContact N-OG 2.96Å; F634-S675 VanDerWaalsContact N-OG 3.15Å; F634-S675 WeakPolarHBondContact O-CB 3.16Å; F634-S675 PolarHBondContact O-N 2.81Å; F634-S675 PolarHBondContact O-OG 3.07Å
635	Y	86.9	Confident	74.5	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.02	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.6	177.4	-57.1	-61.3	0	0	0	110.1	G608 I610 S627 V672 G673 Q674 V680 L682	G608-Y635 VanDerWaalsContact CA-O 3.29Å; G608-Y635 WeakPolarHBondContact CA-O 3.45Å; G608-Y635 WeakPolarHBondContact O-CB 3.44Å; G608-Y635 VanDerWaalsContact O-CD2 3.31Å; G608-Y635 WeakPolarHBondContact O-CD2 3.26Å; G608-Y635 PolarHBondContact O-N 2.77Å; I610-Y635 HydrophobicContact CD1-CD2 3.73Å; I610-Y635 HydrophobicContact CD1-CE2 4.11Å; I610-Y635 HydrophobicContact CD1-CG 4.02Å; I610-Y635 HydrophobicContact CG1-CD2 3.94Å; I610-Y635 HydrophobicContact CG1-CG 4.43Å; S627-Y635 VanDerWaalsContact C-CE2 3.5Å; S627-Y635 WeakPolarHBondContact O-CE2 3.37Å; S627-Y635 PolarHBondContact O-OH 2.83Å; Y635-V672 HydrophobicContact CD1-CG1 3.51Å; Y635-V672 HydrophobicContact CE1-CG1 3.98Å; Y635-V672 HydrophobicContact CG-CG1 4.16Å; Y635-G673 CarbonylContact C-O 3.55Å; Y635-G673 WeakPolarHBondContact CA-O 3.49Å; Y635-Q674 HydrophobicContact CD1-CG 3.84Å; Y635-Q674 HydrophobicContact CE1-CG 4.29Å; Y635-V680 HydrophobicContact CE1-CG1 4.27Å; Y635-L682 HydrophobicContact CE1-CD1 4.29Å; Y635-L682 HydrophobicContact CE1-CD2 4.15Å; Y635-L682 HydrophobicContact CE2-CD1 4.48Å
636	R	81.9	Confident	71.9	Confident	91 Å²	91	51.1 Å²	51.1	34%	0.343	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	137.2	-177.5	-158.4	-179	-165.5	-178.3	7.9	112.5	F634 G673 H713	F634-R636 HydrophobicContact CD2-CB 4.29Å; F634-R636 HydrophobicContact CE2-CB 4.07Å; F634-R636 HydrophobicContact CE2-CG 4.15Å; R636-G673 PolarHBondContact N-O 3.45Å; R636-G673 CarbonylContact O-C 3.52Å; R636-G673 WeakPolarHBondContact O-CA 3.06Å; R636-H713 PolarHBondContact NH1-CD2 3.26Å; R636-H713 PolarHBondContact NH1-NE2 3.42Å
637	G	75.4	Confident	69.2	Low	20 Å²	20	52.9 Å²	52.9	21%	0.206	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.8	-170.7	-173.9	0	0	0	0	0	111	L604 I714	L604-G637 WeakPolarHBondContact CD2-O 3.35Å; G637-I714 WeakPolarHBondContact CA-O 3.45Å
638	P	79.8	Confident	66.8	Low	22 Å²	22	52.1 Å²	52.1	14%	0.143	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	159.3	-171.9	30.5	-37	0	0	0	113.5	D591 I714 I717	D591-P638 WeakPolarHBondContact OD2-CA 3.47Å; D591-P638 WeakPolarHBondContact OD2-CB 3.25Å; P638-I714 WeakPolarHBondContact CD-O 3.43Å; P638-I717 HydrophobicContact CG-CB 4.13Å; P638-I717 HydrophobicContact CG-CD1 3.98Å; P638-I717 HydrophobicContact CG-CG1 3.77Å; P638-I717 WeakPolarHBondContact O-CD1 3.3Å
639	L	85.1	Confident	64.6	Low	11 Å²	11	52.5 Å²	52.5	6%	0.058	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.1	171.3	-74.6	169	0	0	0	110.1	D591 T593 L604 I610 L670 L671 V672	D591-L639 PolarHBondContact OD2-N 3.14Å; T593-L639 HydrophobicContact CG2-CB 3.76Å; T593-L639 HydrophobicContact CG2-CD1 4.39Å; L604-L639 HydrophobicContact CB-CD1 3.77Å; L604-L639 HydrophobicContact CB-CG 4.16Å; I610-L639 HydrophobicContact CD1-CD2 4.04Å; I610-L639 HydrophobicContact CG1-CD2 4.43Å; L639-L670 HydrophobicContact CD2-CD1 4.16Å; L639-L670 HydrophobicContact CD2-CD2 4.3Å; L639-L670 HydrophobicContact CD2-CG 4.32Å; L639-L671 WeakPolarHBondContact CA-O 3.3Å; L639-V672 HydrophobicContact CD2-CB 3.81Å; L639-V672 HydrophobicContact CD2-CG2 3.54Å; L639-V672 HydrophobicContact CG-CG2 4.32Å
640	L	82	Confident	62.7	Low	32 Å²	32	50 Å²	50	17%	0.168	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120	171.7	-179.7	63	0	0	0	112.1	Y642 L671 I717 L726	L640-Y642 PolarHBondContact O-N 3.29Å; L640-L671 HydrophobicContact CB-CB 4.3Å; L640-L671 HydrophobicContact CD2-CD1 4.33Å; L640-L671 PolarHBondContact N-O 3.48Å; L640-L671 WeakPolarHBondContact O-CB 3.39Å; L640-L671 PolarHBondContact O-N 3.4Å; L640-I717 HydrophobicContact CB-CB 4.48Å; L640-I717 HydrophobicContact CB-CG2 4.05Å; L640-I717 HydrophobicContact CD2-CG2 3.64Å; L640-L726 HydrophobicContact CD2-CD1 3.83Å
641	L	77.4	Confident	61.1	Low	18 Å²	18	50.7 Å²	50.7	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.6	163.5	-82.8	154.5	0	0	0	109.9	T593 H595 F602 L669 L670 T684	T593-L641 HydrophobicContact CG2-CD1 3.82Å; T593-L641 HydrophobicContact CG2-CG 4.05Å; H595-L641 HydrophobicContact CB-CD1 3.74Å; F602-L641 HydrophobicContact CD2-CD1 4.07Å; F602-L641 HydrophobicContact CE2-CD1 4.14Å; F602-L641 HydrophobicContact CE2-CD2 4.23Å; L641-L669 WeakPolarHBondContact CA-O 3.4Å; L641-L670 HydrophobicContact CD2-CD1 4.28Å; L641-L670 HydrophobicContact CG-CD1 3.98Å; L641-T684 HydrophobicContact CD2-CG2 3.76Å
642	Y	67.7	Low	59.6	Low	12 Å²	12	45.6 Å²	45.6	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.4	178.5	-174.4	-88.8	0	0	0	110.7	L640 V644 L669 L671 L726 L740	L640-Y642 PolarHBondContact O-N 3.29Å; Y642-V644 HydrophobicContact CD1-CG2 3.87Å; Y642-V644 HydrophobicContact CE1-CG2 4Å; Y642-V644 PolarHBondContact O-N 3.19Å; Y642-L669 HydrophobicContact CD1-CD1 4.46Å; Y642-L669 PolarHBondContact N-O 3.47Å; Y642-L669 PolarHBondContact O-N 2.97Å; Y642-L671 HydrophobicContact CD2-CD1 4.45Å; Y642-L671 HydrophobicContact CG-CD1 4.31Å; Y642-L726 HydrophobicContact CD2-CD1 4.38Å; Y642-L740 HydrophobicContact CD1-CD1 4.37Å; Y642-L740 HydrophobicContact CD2-CD1 4.41Å; Y642-L740 HydrophobicContact CE1-CD1 4.08Å; Y642-L740 HydrophobicContact CE1-CD2 3.94Å; Y642-L740 HydrophobicContact CE2-CD1 4.12Å
643	P	58.6	Low	57.7	Low	19 Å²	19	39.8 Å²	39.8	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.9	173	31.6	-32.7	0	0	0	110.7	H645 V666 L668	P643-H645 PolarHBondContact O-CD2 2.61Å; P643-H645 PolarHBondContact O-N 2.84Å; P643-V666 HydrophobicContact CB-CG1 3.64Å; P643-L668 HydrophobicContact CB-CD2 4.01Å
644	V	51.5	Low	55.7	Low	56 Å²	56	43.9 Å²	43.9	34%	0.339	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	93.3	172.6	-175.7	0	0	0	0	108.6	Y642 I667 L669	Y642-V644 HydrophobicContact CD1-CG2 3.87Å; Y642-V644 HydrophobicContact CE1-CG2 4Å; Y642-V644 PolarHBondContact O-N 3.19Å; V644-I667 HydrophobicContact CB-CB 4.27Å; V644-I667 PolarHBondContact N-O 2.9Å; V644-L669 HydrophobicContact CG2-CD1 3.45Å; V644-L669 VanDerWaalsContact CG2-CD1 3.45Å; V644-L669 HydrophobicContact CG2-CG 3.7Å
645	H	43.8	Very low	53.4	Low	34 Å²	34	42.7 Å²	42.7	16%	0.157	23%	0.225	C	C	.	.			trans	-79.1	140.5	167.4	-56.7	-92.6	0	0	0	110	P643 Y649	P643-H645 PolarHBondContact O-CD2 2.61Å; P643-H645 PolarHBondContact O-N 2.84Å; H645-Y649 HydrophobicContact CB-CD1 4.4Å; H645-Y649 AromaticContact ND1-CD1 3.94Å; H645-Y649 AromaticContact ND1-CE1 3.87Å
646	S	33.9	Very low	50.8	Low	70 Å²	70	43.5 Å²	43.5	49%	0.49	23%	0.229	S	C	.	.			trans	-64.7	137.1	161.1	175.1	0	0	0	0	109	D648 Y649	S646-D648 PolarHBondContact O-N 3.37Å; S646-D648 PolarHBondContact OG-N 3.02Å; S646-Y649 WeakPolarHBondContact O-CA 3.47Å; S646-Y649 WeakPolarHBondContact O-CB 3.43Å; S646-Y649 PolarHBondContact O-N 2.94Å
647	P	34	Very low	48.6	Very low	58 Å²	58	46.2 Å²	46.2	38%	0.377	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18	177.3	-10	23.3	0	0	0	113.2	Y649 F650 K651 P743	P647-Y649 PolarHBondContact O-N 3.28Å; P647-F650 PolarHBondContact O-N 2.77Å; P647-K651 PolarHBondContact O-N 2.89Å; P647-P743 VanDerWaalsContact CD-CG 3.4Å; P647-P743 HydrophobicContact CG-CG 3.39Å
648	D	34.5	Very low	46.9	Very low	58 Å²	58	53.8 Å²	53.8	31%	0.31	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-19.4	165.8	-89.4	-61.3	0	0	0	111.6	S646 K651 L652 K787	S646-D648 PolarHBondContact O-N 3.37Å; S646-D648 PolarHBondContact OG-N 3.02Å; D648-K651 PolarHBondContact O-N 2.77Å; D648-L652 HydrophobicContact CB-CD1 4.34Å; D648-L652 WeakPolarHBondContact O-CB 3.4Å; D648-L652 WeakPolarHBondContact O-CD1 3.24Å; D648-L652 WeakPolarHBondContact O-CG 3.24Å; D648-L652 PolarHBondContact O-N 2.77Å; D648-K787 WeakPolarHBondContact OD1-CE 3.05Å; D648-K787 IonicContact OD1-NZ 2.9Å; D648-K787 PolarHBondContact OD1-NZ 3.16Å
649	Y	34	Very low	44.7	Very low	28 Å²	28	53.6 Å²	53.6	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-54.1	171.2	179.8	-112.7	0	0	0	111.7	I535 V536 H645 S646 P647 K651 L652 F653 P664	I535-Y649 HydrophobicContact CB-CE1 4.17Å; I535-Y649 HydrophobicContact CG2-CD1 4.35Å; I535-Y649 HydrophobicContact CG2-CE1 3.71Å; V536-Y649 WeakPolarHBondContact CG2-OH 3.2Å; H645-Y649 HydrophobicContact CB-CD1 4.4Å; H645-Y649 AromaticContact ND1-CD1 3.94Å; H645-Y649 AromaticContact ND1-CE1 3.87Å; S646-Y649 WeakPolarHBondContact O-CA 3.47Å; S646-Y649 WeakPolarHBondContact O-CB 3.43Å; S646-Y649 PolarHBondContact O-N 2.94Å; P647-Y649 PolarHBondContact O-N 3.28Å; Y649-K651 VanDerWaalsContact C-N 3.28Å; Y649-K651 PolarHBondContact O-N 3.11Å; Y649-L652 PolarHBondContact O-N 3.09Å; Y649-F653 HydrophobicContact CD2-CD2 4.06Å; Y649-F653 HydrophobicContact CD2-CE2 4.45Å; Y649-F653 AromaticContact CE2-CD2 3.72Å; Y649-F653 HydrophobicContact CE2-CD2 3.72Å; Y649-F653 AromaticContact CE2-CE2 3.86Å; Y649-F653 HydrophobicContact CE2-CE2 3.86Å; Y649-F653 PolarHBondContact O-N 3.49Å; Y649-P664 HydrophobicContact CD2-CG 4.13Å; Y649-P664 HydrophobicContact CE2-CG 4.44Å
650	F	30.1	Very low	42.3	Very low	46 Å²	46	57.4 Å²	57.4	20%	0.202	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-41.1	176.6	-80.9	-83.1	0	0	0	111.7	I535 P647 F653 L654 I722	I535-F650 HydrophobicContact CG2-CD1 4.16Å; I535-F650 HydrophobicContact CG2-CE1 3.39Å; I535-F650 HydrophobicContact CG2-CE2 4.31Å; I535-F650 HydrophobicContact CG2-CZ 3.46Å; I535-F650 VanDerWaalsContact CG2-CZ 3.46Å; P647-F650 PolarHBondContact O-N 2.77Å; F650-F653 PolarHBondContact O-N 3.23Å; F650-L654 WeakPolarHBondContact O-CB 3.49Å; F650-L654 WeakPolarHBondContact O-CD1 3.34Å; F650-L654 WeakPolarHBondContact O-CG 3.48Å; F650-L654 PolarHBondContact O-N 3.22Å; F650-I722 HydrophobicContact CE1-CG1 4.42Å; F650-I722 HydrophobicContact CE1-CG2 4.18Å; F650-I722 HydrophobicContact CZ-CB 4.27Å; F650-I722 HydrophobicContact CZ-CG1 4.24Å; F650-I722 HydrophobicContact CZ-CG2 4.36Å
651	K	34	Very low	40	Very low	80 Å²	80	61 Å²	61	35%	0.348	32%	0.32	S	S	.	.	H	α-helix	trans	-73.2	-36	-179.3	-164.9	164.8	-176	174	0	113.1	P647 D648 Y649 E655	P647-K651 PolarHBondContact O-N 2.89Å; D648-K651 PolarHBondContact O-N 2.77Å; Y649-K651 VanDerWaalsContact C-N 3.28Å; Y649-K651 PolarHBondContact O-N 3.11Å; K651-E655 WeakPolarHBondContact CE-OE1 3.48Å; K651-E655 VanDerWaalsContact CG-OE1 3.3Å; K651-E655 WeakPolarHBondContact CG-OE1 3.4Å; K651-E655 WeakPolarHBondContact O-CB 3.45Å; K651-E655 VanDerWaalsContact O-CG 3.27Å; K651-E655 WeakPolarHBondContact O-CG 3.33Å; K651-E655 PolarHBondContact O-N 3.11Å
652	L	31.5	Very low	37.9	Very low	49 Å²	49	68.5 Å²	68.5	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-69	-36.8	173.4	-73.8	164.7	0	0	0	111.4	D648 Y649 E655 D656 K937	D648-L652 HydrophobicContact CB-CD1 4.34Å; D648-L652 WeakPolarHBondContact O-CB 3.4Å; D648-L652 WeakPolarHBondContact O-CD1 3.24Å; D648-L652 WeakPolarHBondContact O-CG 3.24Å; D648-L652 PolarHBondContact O-N 2.77Å; Y649-L652 PolarHBondContact O-N 3.09Å; L652-E655 PolarHBondContact O-N 3.3Å; L652-D656 VanDerWaalsContact O-CB 3.23Å; L652-D656 WeakPolarHBondContact O-CB 3.37Å; L652-D656 PolarHBondContact O-N 3.46Å; L652-K937 HydrophobicContact CD2-CD 3.98Å; L652-K937 HydrophobicContact CD2-CG 4.47Å
653	F	32.1	Very low	36.3	Very low	31 Å²	31	74.1 Å²	74.1	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-76.4	-27.5	176.9	-103.4	-65.2	0	0	0	114.7	V536 P538 Y649 F650 E655	V536-F653 HydrophobicContact CB-CE1 4.27Å; V536-F653 HydrophobicContact CB-CZ 4.28Å; V536-F653 HydrophobicContact CG1-CD1 4.15Å; V536-F653 HydrophobicContact CG1-CE1 3.41Å; V536-F653 VanDerWaalsContact CG1-CE1 3.41Å; V536-F653 HydrophobicContact CG1-CE2 3.87Å; V536-F653 HydrophobicContact CG1-CZ 3.26Å; V536-F653 WeakPolarHBondContact O-CD1 3.29Å; V536-F653 WeakPolarHBondContact O-CE1 3.47Å; P538-F653 HydrophobicContact CG-CB 4.29Å; Y649-F653 HydrophobicContact CD2-CD2 4.06Å; Y649-F653 HydrophobicContact CD2-CE2 4.45Å; Y649-F653 AromaticContact CE2-CD2 3.72Å; Y649-F653 HydrophobicContact CE2-CD2 3.72Å; Y649-F653 AromaticContact CE2-CE2 3.86Å; Y649-F653 HydrophobicContact CE2-CE2 3.86Å; Y649-F653 PolarHBondContact O-N 3.49Å; F650-F653 PolarHBondContact O-N 3.23Å; F653-E655 VanDerWaalsContact C-N 3.3Å
654	L	33.2	Very low	35	Very low	106 Å²	106	76.4 Å²	76.4	56%	0.555	39%	0.393	S	S	*	.	H	α-helix	trans	-72.2	-21.1	169.5	-79.7	165	0	0	0	113.6	P538 F650	P538-L654 HydrophobicContact CB-CD2 3.75Å; P538-L654 HydrophobicContact CB-CG 4.23Å; P538-L654 HydrophobicContact CG-CD2 3.74Å; P538-L654 HydrophobicContact CG-CG 3.78Å; F650-L654 WeakPolarHBondContact O-CB 3.49Å; F650-L654 WeakPolarHBondContact O-CD1 3.34Å; F650-L654 WeakPolarHBondContact O-CG 3.48Å; F650-L654 PolarHBondContact O-N 3.22Å
655	E	34.9	Very low	34.3	Very low	51 Å²	51	79.6 Å²	79.6	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-110.7	-4	-171.8	-70.3	177.5	-164.3	0	0	114.4	K651 L652 F653 N898 S935	K651-E655 WeakPolarHBondContact CE-OE1 3.48Å; K651-E655 VanDerWaalsContact CG-OE1 3.3Å; K651-E655 WeakPolarHBondContact CG-OE1 3.4Å; K651-E655 WeakPolarHBondContact O-CB 3.45Å; K651-E655 VanDerWaalsContact O-CG 3.27Å; K651-E655 WeakPolarHBondContact O-CG 3.33Å; K651-E655 PolarHBondContact O-N 3.11Å; L652-E655 PolarHBondContact O-N 3.3Å; F653-E655 VanDerWaalsContact C-N 3.3Å; E655-N898 PolarHBondContact O-ND2 3.09Å; E655-S935 PolarHBondContact OE2-OG 2.89Å
656	D	32.7	Very low	34.4	Very low	21 Å²	21	80.4 Å²	80.4	11%	0.112	42%	0.422	C	S	.	.			trans	-147.5	76.6	-165.6	-155.6	7.8	0	0	0	115.3	L652 K658 S659 N898 K937	L652-D656 VanDerWaalsContact O-CB 3.23Å; L652-D656 WeakPolarHBondContact O-CB 3.37Å; L652-D656 PolarHBondContact O-N 3.46Å; D656-K658 PolarHBondContact O-N 3.11Å; D656-S659 PolarHBondContact O-N 2.96Å; D656-S659 WeakPolarHBondContact OD2-CB 3.44Å; D656-N898 WeakPolarHBondContact CB-ND2 3.48Å; D656-N898 PolarHBondContact OD1-ND2 3.01Å; D656-K937 IonicContact OD2-NZ 2.69Å; D656-K937 PolarHBondContact OD2-NZ 3.34Å
657	E	35.7	Very low	35.2	Very low	149 Å²	149	80.9 Å²	80.9	70%	0.696	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	6	178.7	-60.6	177.7	151.9	0	0	115.9
658	K	38.2	Very low	36.6	Very low	178 Å²	178	78.9 Å²	78.9	77%	0.774	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	3.7	-170.1	-62.7	-172	179.1	-177	0	115.1	D656	D656-K658 PolarHBondContact O-N 3.11Å
659	S	34.4	Very low	38.2	Very low	19 Å²	19	77.6 Å²	77.6	13%	0.133	40%	0.397	C	S	.	.			trans	-100.4	40.5	-174.3	71.5	0	0	0	0	115.4	D656 D661 K937	D656-S659 PolarHBondContact O-N 2.96Å; D656-S659 WeakPolarHBondContact OD2-CB 3.44Å; S659-D661 PolarHBondContact O-N 3.04Å; S659-K937 PolarHBondContact OG-NZ 2.74Å
660	S	34.3	Very low	40.5	Very low	90 Å²	90	76.3 Å²	76.3	63%	0.629	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.1	177.4	44.7	0	0	0	0	114.5	Y662	S660-Y662 VanDerWaalsContact C-N 3.26Å; S660-Y662 PolarHBondContact O-N 3.47Å
661	D	33.2	Very low	43	Very low	109 Å²	109	74.1 Å²	74.1	58%	0.583	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	1.8	-162.2	-58.9	8.1	0	0	0	113.8	S659 R1632	S659-D661 PolarHBondContact O-N 3.04Å; D661-R1632 IonicContact OD2-NH1 3.74Å
662	Y	33	Very low	45.5	Very low	174 Å²	174	70.3 Å²	70.3	68%	0.682	37%	0.366	S	S	*	.			trans	-125.1	89.5	-174.8	-73.1	-83.7	0	0	0	113.3	S660 P664	S660-Y662 VanDerWaalsContact C-N 3.26Å; S660-Y662 PolarHBondContact O-N 3.47Å; Y662-P664 VanDerWaalsContact O-CD 3.27Å; Y662-P664 WeakPolarHBondContact O-CD 3.12Å
663	L	34.7	Very low	48	Very low	131 Å²	131	68 Å²	68	69%	0.686	35%	0.354	S	S	*	.			trans	-73.6	113.2	165.7	-84.6	154.8	0	0	0	110.7
664	P	32.2	Very low	50.5	Low	66 Å²	66	66.5 Å²	66.5	43%	0.429	35%	0.347	S	S	.	.			trans	-72.8	153.5	171.8	31.9	-34.8	0	0	0	110.9	Y649 Y662 V666	Y649-P664 HydrophobicContact CD2-CG 4.13Å; Y649-P664 HydrophobicContact CE2-CG 4.44Å; Y662-P664 VanDerWaalsContact O-CD 3.27Å; Y662-P664 WeakPolarHBondContact O-CD 3.12Å; P664-V666 PolarHBondContact O-N 3.12Å
665	P	35.5	Very low	52.9	Low	124 Å²	124	61.5 Å²	61.5	81%	0.805	32%	0.321	S	S	*	.			trans	-68.7	102.6	179.7	27.9	-34.4	0	0	0	111.5	I667	P665-I667 PolarHBondContact O-N 3.02Å
666	V	45.5	Very low	54.9	Low	50 Å²	50	60.2 Å²	60.2	30%	0.303	32%	0.316	S	S	.	.			trans	-71	123.2	172.4	-179.9	0	0	0	0	109.5	P643 P664 L668	P643-V666 HydrophobicContact CB-CG1 3.64Å; P664-V666 PolarHBondContact O-N 3.12Å; V666-L668 HydrophobicContact CG1-CD2 4.14Å; V666-L668 HydrophobicContact CG1-CG 4.41Å
667	I	51.1	Low	56.9	Low	80 Å²	80	59.2 Å²	59.2	41%	0.41	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119	172.9	-61.1	175.3	0	0	0	108.1	V644 P665 L669	V644-I667 HydrophobicContact CB-CB 4.27Å; V644-I667 PolarHBondContact N-O 2.9Å; P665-I667 PolarHBondContact O-N 3.02Å; I667-L669 HydrophobicContact CG2-CD2 4.04Å
668	L	63	Low	58.9	Low	17 Å²	17	52.1 Å²	52.1	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.4	179.6	-65.7	165.7	0	0	0	110	H595 L598 P643 V666 T684	H595-L668 VanDerWaalsContact CE1-CD1 3.42Å; H595-L668 WeakPolarHBondContact CE1-CD1 3.46Å; H595-L668 WeakPolarHBondContact NE2-CD2 3.39Å; L598-L668 HydrophobicContact CD1-CB 4.48Å; L598-L668 HydrophobicContact CD1-CD1 3.81Å; L598-L668 HydrophobicContact CD2-CD1 4Å; L598-L668 HydrophobicContact CG-CD1 3.73Å; P643-L668 HydrophobicContact CB-CD2 4.01Å; V666-L668 HydrophobicContact CG1-CD2 4.14Å; V666-L668 HydrophobicContact CG1-CG 4.41Å; L668-T684 HydrophobicContact CB-CG2 4.29Å; L668-T684 WeakPolarHBondContact O-CG2 2.93Å; L668-T684 PolarHBondContact O-OG1 2.91Å
669	L	68.1	Low	60.8	Low	31 Å²	31	43.7 Å²	43.7	16%	0.162	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.8	173.1	-53.4	178.6	0	0	0	109.1	L641 Y642 V644 I667 V681 M690	L641-L669 WeakPolarHBondContact CA-O 3.4Å; Y642-L669 HydrophobicContact CD1-CD1 4.46Å; Y642-L669 PolarHBondContact N-O 3.47Å; Y642-L669 PolarHBondContact O-N 2.97Å; V644-L669 HydrophobicContact CG2-CD1 3.45Å; V644-L669 VanDerWaalsContact CG2-CD1 3.45Å; V644-L669 HydrophobicContact CG2-CG 3.7Å; I667-L669 HydrophobicContact CG2-CD2 4.04Å; L669-V681 HydrophobicContact CB-CG1 3.9Å; L669-V681 HydrophobicContact CD1-CG1 4.07Å; L669-V681 HydrophobicContact CD2-CG1 4.24Å; L669-V681 HydrophobicContact CG-CG1 4.3Å; L669-M690 HydrophobicContact CD2-CE 3.55Å
670	L	82.2	Confident	63	Low	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.9	168.5	-177.3	68.9	0	0	0	108.7	T593 F602 W626 L639 L641 V681 L682 T684	T593-L670 HydrophobicContact CG2-CD1 3.78Å; F602-L670 HydrophobicContact CB-CD2 4.4Å; F602-L670 HydrophobicContact CD1-CD2 3.86Å; F602-L670 HydrophobicContact CE1-CD2 4.39Å; F602-L670 HydrophobicContact CG-CD1 4.47Å; F602-L670 HydrophobicContact CG-CD2 4.17Å; W626-L670 HydrophobicContact CE3-CD2 4.49Å; W626-L670 HydrophobicContact CZ3-CD2 3.87Å; L639-L670 HydrophobicContact CD2-CD1 4.16Å; L639-L670 HydrophobicContact CD2-CD2 4.3Å; L639-L670 HydrophobicContact CD2-CG 4.32Å; L641-L670 HydrophobicContact CD2-CD1 4.28Å; L641-L670 HydrophobicContact CG-CD1 3.98Å; L670-V681 CarbonylContact O-C 3.55Å; L670-V681 WeakPolarHBondContact O-CA 3.48Å; L670-L682 HydrophobicContact CB-CB 4.26Å; L670-L682 HydrophobicContact CD2-CB 4.48Å; L670-L682 HydrophobicContact CD2-CD1 4.27Å; L670-L682 PolarHBondContact N-O 2.84Å; L670-L682 PolarHBondContact O-N 3.18Å; L670-T684 HydrophobicContact CB-CG2 3.92Å
671	L	84.1	Confident	65	Low	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.8	176.5	-59.8	172.4	0	0	0	109.4	L639 L640 Y642 L679 V680 V681 L726 F772	L639-L671 WeakPolarHBondContact CA-O 3.3Å; L640-L671 HydrophobicContact CB-CB 4.3Å; L640-L671 HydrophobicContact CD2-CD1 4.33Å; L640-L671 PolarHBondContact N-O 3.48Å; L640-L671 WeakPolarHBondContact O-CB 3.39Å; L640-L671 PolarHBondContact O-N 3.4Å; Y642-L671 HydrophobicContact CD2-CD1 4.45Å; Y642-L671 HydrophobicContact CG-CD1 4.31Å; L671-L679 HydrophobicContact CB-CD1 4.33Å; L671-V680 WeakPolarHBondContact CA-O 2.89Å; L671-V681 HydrophobicContact CD2-CB 4.27Å; L671-V681 HydrophobicContact CD2-CG1 4.05Å; L671-V681 HydrophobicContact CD2-CG2 3.75Å; L671-L726 HydrophobicContact CD1-CD1 3.61Å; L671-L726 HydrophobicContact CD1-CD2 3.68Å; L671-L726 HydrophobicContact CD1-CG 4.31Å; L671-F772 HydrophobicContact CD2-CZ 4.49Å
672	V	86.1	Confident	67.3	Low	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.2	176.9	72	0	0	0	0	110.9	I610 Y635 L639 V680 L682	I610-V672 HydrophobicContact CD1-CB 4.42Å; I610-V672 HydrophobicContact CD1-CG1 4.27Å; I610-V672 HydrophobicContact CD1-CG2 4.2Å; Y635-V672 HydrophobicContact CD1-CG1 3.51Å; Y635-V672 HydrophobicContact CE1-CG1 3.98Å; Y635-V672 HydrophobicContact CG-CG1 4.16Å; L639-V672 HydrophobicContact CD2-CB 3.81Å; L639-V672 HydrophobicContact CD2-CG2 3.54Å; L639-V672 HydrophobicContact CG-CG2 4.32Å; V672-V680 HydrophobicContact CG1-CB 4.16Å; V672-V680 HydrophobicContact CG1-CG1 4.44Å; V672-V680 PolarHBondContact N-O 2.94Å; V672-V680 PolarHBondContact O-N 2.95Å; V672-L682 HydrophobicContact CG1-CD1 3.88Å; V672-L682 HydrophobicContact CG1-CG 4.19Å
673	G	84.9	Confident	69.2	Low	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	160.4	168.4	0	0	0	0	0	112.6	Y635 R636 S678	Y635-G673 CarbonylContact C-O 3.55Å; Y635-G673 WeakPolarHBondContact CA-O 3.49Å; R636-G673 PolarHBondContact N-O 3.45Å; R636-G673 CarbonylContact O-C 3.52Å; R636-G673 WeakPolarHBondContact O-CA 3.06Å; G673-S678 CarbonylContact C-O 3.6Å
674	Q	84.5	Confident	71	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	160.9	168.2	-84	-169.1	-28.1	0	0	112.1	S628 V633 F634 Y635 D676 G677 S678 V680	S628-Q674 PolarHBondContact OG-NE2 3.04Å; V633-Q674 HydrophobicContact CG1-CB 3.87Å; V633-Q674 HydrophobicContact CG1-CG 4.05Å; F634-Q674 CarbonylContact O-C 3.39Å; F634-Q674 WeakPolarHBondContact O-CA 3.21Å; Y635-Q674 HydrophobicContact CD1-CG 3.84Å; Y635-Q674 HydrophobicContact CE1-CG 4.29Å; Q674-D676 PolarHBondContact O-N 3.48Å; Q674-D676 VanDerWaalsContact O-N 3.08Å; Q674-G677 PolarHBondContact O-N 3.2Å; Q674-S678 PolarHBondContact N-O 3.2Å; Q674-S678 PolarHBondContact OE1-OG 3.29Å; Q674-V680 HydrophobicContact CG-CG2 3.81Å
675	S	81.7	Confident	72.8	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9	179	71.1	0	0	0	0	114	F634 K711 H713	F634-S675 WeakPolarHBondContact CD1-OG 3.38Å; F634-S675 VanDerWaalsContact CE1-CB 3.49Å; F634-S675 PolarHBondContact N-OG 2.96Å; F634-S675 VanDerWaalsContact N-OG 3.15Å; F634-S675 WeakPolarHBondContact O-CB 3.16Å; F634-S675 PolarHBondContact O-N 2.81Å; F634-S675 PolarHBondContact O-OG 3.07Å; S675-K711 WeakPolarHBondContact O-CD 3.45Å; S675-H713 PolarHBondContact O-CE1 3.49Å; S675-H713 PolarHBondContact O-ND1 2.64Å; S675-H713 VanDerWaalsContact O-ND1 3.13Å
676	D	77.3	Confident	74.6	Confident	24 Å²	24	25.2 Å²	25.2	13%	0.128	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5.4	170.1	77.5	-10.5	0	0	0	114.3	V633 Q674 S678 K692 K695	V633-D676 HydrophobicContact CG1-CB 4.39Å; Q674-D676 PolarHBondContact O-N 3.48Å; Q674-D676 VanDerWaalsContact O-N 3.08Å; D676-S678 VanDerWaalsContact C-N 3.32Å; D676-S678 PolarHBondContact O-N 3.36Å; D676-S678 VanDerWaalsContact OD1-CB 3.25Å; D676-S678 WeakPolarHBondContact OD1-CB 3.38Å; D676-S678 PolarHBondContact OD1-N 3.43Å; D676-S678 PolarHBondContact OD1-OG 3.21Å; D676-K692 IonicContact OD2-NZ 2.71Å; D676-K695 HydrophobicContact CB-CD 4.23Å; D676-K695 WeakPolarHBondContact OD2-CD 3.38Å; D676-K695 WeakPolarHBondContact OD2-CE 3.21Å; D676-K695 IonicContact OD2-NZ 2.83Å; D676-K695 PolarHBondContact OD2-NZ 3.03Å
677	G	74.3	Confident	75.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	84.4	-7.5	-178.9	0	0	0	0	0	115.1	Q674 Y696 Q712 I714	Q674-G677 PolarHBondContact O-N 3.2Å; G677-Y696 WeakPolarHBondContact O-CD2 3.38Å; G677-Y696 WeakPolarHBondContact O-CE2 3.46Å; G677-Q712 WeakPolarHBondContact CA-O 3.49Å; G677-I714 WeakPolarHBondContact O-CD1 3.27Å; G677-I714 WeakPolarHBondContact O-CG1 3.5Å
678	S	77.6	Confident	76.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.			trans	-68.2	155.4	174.2	64.8	0	0	0	0	112.3	G673 Q674 D676 K692 T693	G673-S678 CarbonylContact C-O 3.6Å; Q674-S678 PolarHBondContact N-O 3.2Å; Q674-S678 PolarHBondContact OE1-OG 3.29Å; D676-S678 VanDerWaalsContact C-N 3.32Å; D676-S678 PolarHBondContact O-N 3.36Å; D676-S678 VanDerWaalsContact OD1-CB 3.25Å; D676-S678 WeakPolarHBondContact OD1-CB 3.38Å; D676-S678 PolarHBondContact OD1-N 3.43Å; D676-S678 PolarHBondContact OD1-OG 3.21Å; S678-K692 WeakPolarHBondContact OG-CE 3.48Å; S678-T693 WeakPolarHBondContact CB-O 3.38Å
679	L	79.8	Confident	77.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.4	171.9	174.4	71.5	0	0	0	108.6	L671 K692 T693 I714 I717 L726 T728 F772	L671-L679 HydrophobicContact CB-CD1 4.33Å; L679-K692 CarbonylContact O-C 3.6Å; L679-K692 WeakPolarHBondContact O-CA 3.21Å; L679-T693 HydrophobicContact CB-CG2 3.76Å; L679-T693 HydrophobicContact CD2-CG2 4.3Å; L679-T693 HydrophobicContact CG-CG2 4.42Å; L679-T693 PolarHBondContact N-OG1 2.95Å; L679-T693 PolarHBondContact O-N 3.44Å; L679-I714 HydrophobicContact CB-CD1 3.67Å; L679-I714 HydrophobicContact CD1-CD1 4.22Å; L679-I717 HydrophobicContact CD1-CD1 3.54Å; L679-I717 HydrophobicContact CD1-CG1 4.22Å; L679-L726 HydrophobicContact CD2-CD2 3.61Å; L679-T728 HydrophobicContact CD2-CG2 4.09Å; L679-F772 HydrophobicContact CD2-CE1 3.6Å; L679-F772 HydrophobicContact CD2-CZ 4.05Å; L679-F772 HydrophobicContact CG-CE1 3.96Å
680	V	80.6	Confident	77	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.3	-176.4	169.4	0	0	0	0	110.9	Y635 L671 V672 Q674 L682 I689 K692	Y635-V680 HydrophobicContact CE1-CG1 4.27Å; L671-V680 WeakPolarHBondContact CA-O 2.89Å; V672-V680 HydrophobicContact CG1-CB 4.16Å; V672-V680 HydrophobicContact CG1-CG1 4.44Å; V672-V680 PolarHBondContact N-O 2.94Å; V672-V680 PolarHBondContact O-N 2.95Å; Q674-V680 HydrophobicContact CG-CG2 3.81Å; V680-L682 HydrophobicContact CG1-CD2 3.48Å; V680-L682 VanDerWaalsContact CG1-CD2 3.48Å; V680-L682 HydrophobicContact CG1-CG 4.07Å; V680-I689 HydrophobicContact CG1-CB 4.41Å; V680-I689 HydrophobicContact CG1-CD1 4.43Å; V680-I689 HydrophobicContact CG1-CG1 3.93Å; V680-I689 HydrophobicContact CG1-CG2 3.93Å; V680-K692 HydrophobicContact CG2-CB 4.15Å; V680-K692 HydrophobicContact CG2-CD 4.2Å; V680-K692 HydrophobicContact CG2-CG 3.86Å
681	V	75.9	Confident	76.1	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.024	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.4	177.1	-164.4	0	0	0	0	109.2	L669 L670 L671 M690 S691 F772	L669-V681 HydrophobicContact CB-CG1 3.9Å; L669-V681 HydrophobicContact CD1-CG1 4.07Å; L669-V681 HydrophobicContact CD2-CG1 4.24Å; L669-V681 HydrophobicContact CG-CG1 4.3Å; L670-V681 CarbonylContact O-C 3.55Å; L670-V681 WeakPolarHBondContact O-CA 3.48Å; L671-V681 HydrophobicContact CD2-CB 4.27Å; L671-V681 HydrophobicContact CD2-CG1 4.05Å; L671-V681 HydrophobicContact CD2-CG2 3.75Å; V681-M690 HydrophobicContact CG1-CE 3.82Å; V681-M690 PolarHBondContact O-N 2.87Å; V681-S691 VanDerWaalsContact CG2-OG 3.27Å; V681-S691 WeakPolarHBondContact CG2-OG 3.36Å; V681-S691 PolarHBondContact N-O 3.45Å; V681-S691 PolarHBondContact O-N 3.48Å; V681-F772 HydrophobicContact CG2-CD1 3.56Å; V681-F772 HydrophobicContact CG2-CD2 4.34Å; V681-F772 HydrophobicContact CG2-CE1 3.49Å; V681-F772 VanDerWaalsContact CG2-CE1 3.49Å; V681-F772 HydrophobicContact CG2-CE2 4.28Å; V681-F772 HydrophobicContact CG2-CG 4.02Å; V681-F772 HydrophobicContact CG2-CZ 3.88Å
682	L	80.5	Confident	75.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.5	-177.7	-55.9	-179.6	0	0	0	112.3	I610 W626 Y635 L670 V672 V680 T684 I689 M690	I610-L682 HydrophobicContact CD1-CD1 3.42Å; I610-L682 VanDerWaalsContact CD1-CD1 3.42Å; W626-L682 HydrophobicContact CE3-CD1 4.47Å; Y635-L682 HydrophobicContact CE1-CD1 4.29Å; Y635-L682 HydrophobicContact CE1-CD2 4.15Å; Y635-L682 HydrophobicContact CE2-CD1 4.48Å; L670-L682 HydrophobicContact CB-CB 4.26Å; L670-L682 HydrophobicContact CD2-CB 4.48Å; L670-L682 HydrophobicContact CD2-CD1 4.27Å; L670-L682 PolarHBondContact N-O 2.84Å; L670-L682 PolarHBondContact O-N 3.18Å; V672-L682 HydrophobicContact CG1-CD1 3.88Å; V672-L682 HydrophobicContact CG1-CG 4.19Å; V680-L682 HydrophobicContact CG1-CD2 3.48Å; V680-L682 VanDerWaalsContact CG1-CD2 3.48Å; V680-L682 HydrophobicContact CG1-CG 4.07Å; L682-T684 PolarHBondContact O-N 2.86Å; L682-I689 HydrophobicContact CD2-CB 4.34Å; L682-I689 HydrophobicContact CD2-CG1 3.6Å; L682-M690 WeakPolarHBondContact O-CE 3.16Å
683	C	73	Confident	74.5	Confident	22 Å²	22	22.5 Å²	22.5	15%	0.149	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.4	172.5	177.8	0	0	0	0	110.9	W626 K685 E686 G687 I688 M690	W626-C683 WeakPolarHBondContact CH2-O 3.49Å; C683-K685 PolarHBondContact O-N 2.83Å; C683-E686 PolarHBondContact O-N 3.22Å; C683-E686 VanDerWaalsContact O-N 3.15Å; C683-G687 PolarHBondContact O-N 3.32Å; C683-I688 HydrophobicContact CB-CB 4.46Å; C683-I688 PolarHBondContact N-O 3.39Å; C683-M690 HydrophobicContact CB-CE 4.43Å; C683-M690 HydrophobicContact CB-CG 4.1Å; C683-M690 HydrophobicContact CB-SD 3.9Å
684	T	73.7	Confident	73.3	Confident	17 Å²	17	26.6 Å²	26.6	10%	0.104	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.7	-179.4	43.7	0	0	0	0	115.2	L598 K600 F602 L641 L668 L670 L682	L598-T684 HydrophobicContact CD1-CG2 4.23Å; K600-T684 PolarHBondContact NZ-O 2.71Å; F602-T684 HydrophobicContact CZ-CG2 4.33Å; L641-T684 HydrophobicContact CD2-CG2 3.76Å; L668-T684 HydrophobicContact CB-CG2 4.29Å; L668-T684 WeakPolarHBondContact O-CG2 2.93Å; L668-T684 PolarHBondContact O-OG1 2.91Å; L670-T684 HydrophobicContact CB-CG2 3.92Å; L682-T684 PolarHBondContact O-N 2.86Å
685	K	70.5	Confident	72.3	Confident	162 Å²	162	32 Å²	32	70%	0.704	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-48.2	172.2	-67.5	-178.4	178.2	176.9	0	112.8	K600 C683	K600-K685 PolarHBondContact NZ-O 3.44Å; C683-K685 PolarHBondContact O-N 2.83Å
686	E	71.8	Confident	70.9	Confident	120 Å²	120	33 Å²	33	56%	0.561	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-8.8	-158.4	-69.8	167.3	-175.6	0	0	114.7	C683 I688	C683-E686 PolarHBondContact O-N 3.22Å; C683-E686 VanDerWaalsContact O-N 3.15Å; E686-I688 HydrophobicContact CB-CD1 4.16Å; E686-I688 HydrophobicContact CB-CG1 4.06Å; E686-I688 PolarHBondContact O-N 3.03Å; E686-I688 WeakPolarHBondContact OE2-CD1 3.33Å
687	G	71.2	Confident	69.2	Low	9 Å²	9	36.5 Å²	36.5	9%	0.093	19%	0.192	C	C	.	.			trans	78.4	-4	-179.3	0	0	0	0	0	115	C683 I689	C683-G687 PolarHBondContact O-N 3.32Å; G687-I689 PolarHBondContact O-N 2.99Å
688	I	71.3	Confident	67.5	Low	58 Å²	58	41 Å²	41	30%	0.297	22%	0.22	S	C	.	.			trans	-62.4	132.1	-179.7	-60.6	177.4	0	0	0	110.7	C683 E686 M690 N776 T778	C683-I688 HydrophobicContact CB-CB 4.46Å; C683-I688 PolarHBondContact N-O 3.39Å; E686-I688 HydrophobicContact CB-CD1 4.16Å; E686-I688 HydrophobicContact CB-CG1 4.06Å; E686-I688 PolarHBondContact O-N 3.03Å; E686-I688 WeakPolarHBondContact OE2-CD1 3.33Å; I688-M690 PolarHBondContact O-N 3.39Å; I688-M690 VanDerWaalsContact O-N 3.15Å; I688-N776 HydrophobicContact CG2-CB 3.84Å; I688-T778 HydrophobicContact CD1-CG2 4.35Å; I688-T778 HydrophobicContact CG2-CG2 4.16Å
689	I	72.6	Confident	65.6	Low	5 Å²	5	48.8 Å²	48.8	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	108.3	171	-61.8	173	0	0	0	109.1	V680 L682 G687 I775 N776	V680-I689 HydrophobicContact CG1-CB 4.41Å; V680-I689 HydrophobicContact CG1-CD1 4.43Å; V680-I689 HydrophobicContact CG1-CG1 3.93Å; V680-I689 HydrophobicContact CG1-CG2 3.93Å; L682-I689 HydrophobicContact CD2-CB 4.34Å; L682-I689 HydrophobicContact CD2-CG1 3.6Å; G687-I689 PolarHBondContact O-N 2.99Å; I689-I775 HydrophobicContact CG2-CB 4.28Å; I689-I775 HydrophobicContact CG2-CD1 3.92Å; I689-N776 WeakPolarHBondContact O-CB 3.45Å; I689-N776 PolarHBondContact O-ND2 3.25Å
690	M	62.8	Low	63.2	Low	23 Å²	23	58.2 Å²	58.2	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-42.5	174.9	-63.3	-179.5	-59.4	0	0	110.3	L669 V681 L682 C683 I688 I774 I775	L669-M690 HydrophobicContact CD2-CE 3.55Å; V681-M690 HydrophobicContact CG1-CE 3.82Å; V681-M690 PolarHBondContact O-N 2.87Å; L682-M690 WeakPolarHBondContact O-CE 3.16Å; C683-M690 HydrophobicContact CB-CE 4.43Å; C683-M690 HydrophobicContact CB-CG 4.1Å; C683-M690 HydrophobicContact CB-SD 3.9Å; I688-M690 PolarHBondContact O-N 3.39Å; I688-M690 VanDerWaalsContact O-N 3.15Å; M690-I774 WeakPolarHBondContact O-CA 3.22Å; M690-I775 PolarHBondContact O-N 3.32Å; M690-I775 VanDerWaalsContact O-N 3.16Å
691	S	64.5	Low	60.9	Low	6 Å²	6	63.3 Å²	63.3	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.5	176.8	64.5	0	0	0	0	113.8	V681 F772 E773	V681-S691 VanDerWaalsContact CG2-OG 3.27Å; V681-S691 WeakPolarHBondContact CG2-OG 3.36Å; V681-S691 PolarHBondContact N-O 3.45Å; V681-S691 PolarHBondContact O-N 3.48Å; S691-F772 VanDerWaalsContact CB-CB 3.48Å; S691-F772 VanDerWaalsContact OG-CB 3.27Å; S691-F772 WeakPolarHBondContact OG-CB 3.41Å; S691-E773 CarbonylContact C-O 3.59Å; S691-E773 WeakPolarHBondContact CA-O 3.48Å; S691-E773 WeakPolarHBondContact CB-O 3.48Å
692	K	68.6	Low	58.7	Low	19 Å²	19	68.2 Å²	68.2	8%	0.083	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.9	-174.1	178.7	170.9	-174.4	166.4	0	110.4	E630 D676 S678 L679 V680 F772 E773 I775	E630-K692 IonicContact OE1-NZ 3.12Å; E630-K692 PolarHBondContact OE1-NZ 3.1Å; E630-K692 IonicContact OE2-NZ 3.91Å; E630-K692 PolarHBondContact OE2-NZ 3.33Å; D676-K692 IonicContact OD2-NZ 2.71Å; S678-K692 WeakPolarHBondContact OG-CE 3.48Å; L679-K692 CarbonylContact O-C 3.6Å; L679-K692 WeakPolarHBondContact O-CA 3.21Å; V680-K692 HydrophobicContact CG2-CB 4.15Å; V680-K692 HydrophobicContact CG2-CD 4.2Å; V680-K692 HydrophobicContact CG2-CG 3.86Å; K692-F772 CarbonylContact O-C 3.49Å; K692-F772 WeakPolarHBondContact O-CA 3.43Å; K692-E773 PolarHBondContact N-O 3.06Å; K692-E773 PolarHBondContact O-N 3.04Å; K692-I775 HydrophobicContact CB-CD1 3.54Å; K692-I775 HydrophobicContact CB-CG1 4.46Å; K692-I775 HydrophobicContact CD-CD1 3.93Å; K692-I775 HydrophobicContact CG-CD1 4.36Å
693	T	68.8	Low	56.5	Low	2 Å²	2	75.4 Å²	75.4	1%	0.012	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-72.7	151	172	67.5	0	0	0	0	110.3	S678 L679 W738 F772	S678-T693 WeakPolarHBondContact CB-O 3.38Å; L679-T693 HydrophobicContact CB-CG2 3.76Å; L679-T693 HydrophobicContact CD2-CG2 4.3Å; L679-T693 HydrophobicContact CG-CG2 4.42Å; L679-T693 PolarHBondContact N-OG1 2.95Å; L679-T693 PolarHBondContact O-N 3.44Å; T693-W738 HydrophobicContact CG2-CH2 3.61Å; T693-W738 HydrophobicContact CG2-CZ2 3.83Å; T693-W738 HydrophobicContact CG2-CZ3 4.03Å; T693-F772 HydrophobicContact CG2-CD1 3.36Å; T693-F772 HydrophobicContact CG2-CE1 3.6Å; T693-F772 HydrophobicContact CG2-CG 4.23Å
694	P	58.8	Low	54.6	Low	87 Å²	87	82.3 Å²	82.3	57%	0.565	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-53.1	146.9	163	24.5	-34.1	0	0	0	110.4
695	K	62.6	Low	52.6	Low	114 Å²	114	89.4 Å²	89.4	50%	0.496	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-56	155.3	-178.8	-53.3	-168.6	-170.4	-124.6	0	110.8	D676 S697	D676-K695 HydrophobicContact CB-CD 4.23Å; D676-K695 WeakPolarHBondContact OD2-CD 3.38Å; D676-K695 WeakPolarHBondContact OD2-CE 3.21Å; D676-K695 IonicContact OD2-NZ 2.83Å; D676-K695 PolarHBondContact OD2-NZ 3.03Å; K695-S697 PolarHBondContact O-N 3.15Å
696	Y	53.7	Low	50.9	Low	20 Å²	20	87 Å²	87	8%	0.078	48%	0.482	C	S	.	.			trans	-72.8	84	170.3	-81.3	-119.3	0	0	0	109.4	G677 I714 T728 T730 K736 W738	G677-Y696 WeakPolarHBondContact O-CD2 3.38Å; G677-Y696 WeakPolarHBondContact O-CE2 3.46Å; Y696-I714 HydrophobicContact CE2-CD1 4.21Å; Y696-I714 HydrophobicContact CE2-CG1 4.27Å; Y696-T728 PolarHBondContact OH-OG1 3.05Å; Y696-T730 HydrophobicContact CD1-CG2 3.39Å; Y696-T730 HydrophobicContact CE1-CG2 3.11Å; Y696-T730 HydrophobicContact CE2-CG2 4.39Å; Y696-T730 HydrophobicContact CG-CG2 4.14Å; Y696-K736 HydrophobicContact CD1-CD 4.18Å; Y696-K736 VanDerWaalsContact CD1-CE 3.45Å; Y696-K736 HydrophobicContact CE1-CD 3.44Å; Y696-K736 VanDerWaalsContact CE1-CD 3.44Å; Y696-K736 HydrophobicContact CE1-CG 3.85Å; Y696-K736 HydrophobicContact CE2-CD 4.25Å; Y696-W738 HydrophobicContact CE2-CZ2 4.25Å
697	S	41.7	Very low	48.9	Very low	99 Å²	99	90.3 Å²	90.3	69%	0.692	50%	0.497	S	S	*	.			trans	-81.9	113.5	161.4	41.6	0	0	0	0	108.7	K695 I699	K695-S697 PolarHBondContact O-N 3.15Å; S697-I699 PolarHBondContact O-N 3.36Å
698	T	38.5	Very low	47	Very low	95 Å²	95	95.4 Å²	95.4	58%	0.583	53%	0.527	S	S	*	.			trans	-53.9	134	153.9	44.1	0	0	0	0	108.1	K700	T698-K700 PolarHBondContact O-N 3.44Å; T698-K700 VanDerWaalsContact O-N 3.14Å
699	I	36.2	Very low	45.3	Very low	162 Å²	162	100.6 Å²	100.6	83%	0.831	56%	0.555	S	S	*	*			trans	-59.5	123	175.1	-63.8	172.8	0	0	0	106.6	S697 S701	S697-I699 PolarHBondContact O-N 3.36Å; I699-S701 VanDerWaalsContact C-N 3.32Å; I699-S701 PolarHBondContact O-N 3.12Å
700	K	29.7	Very low	44.1	Very low	198 Å²	198	107.9 Å²	107.9	86%	0.861	59%	0.589	S	S	*	*			trans	-63.3	91.9	179.1	-70.9	-173	176.3	-174.2	0	109.9	T698 S702	T698-K700 PolarHBondContact O-N 3.44Å; T698-K700 VanDerWaalsContact O-N 3.14Å; K700-S702 PolarHBondContact O-N 2.99Å
701	S	31.9	Very low	43.5	Very low	107 Å²	107	112.6 Å²	112.6	75%	0.748	61%	0.609	S	S	*	*			trans	-63.6	103.6	162.9	41.1	0	0	0	0	107.7	I699 N703	I699-S701 VanDerWaalsContact C-N 3.32Å; I699-S701 PolarHBondContact O-N 3.12Å; S701-N703 VanDerWaalsContact C-N 3.3Å; S701-N703 PolarHBondContact O-N 3.17Å
702	S	30.6	Very low	43.4	Very low	107 Å²	107	114.2 Å²	114.2	75%	0.748	62%	0.616	S	S	*	*	S	Bend	trans	-69.5	88.2	177	55.1	0	0	0	0	109.6	K700	K700-S702 PolarHBondContact O-N 2.99Å
703	N	34	Very low	43.5	Very low	151 Å²	151	114.5 Å²	114.5	81%	0.807	62%	0.617	S	S	*	*	S	Bend	trans	171	67.9	148.7	-83.5	-16.8	0	0	0	111	S701	S701-N703 VanDerWaalsContact C-N 3.3Å; S701-N703 PolarHBondContact O-N 3.17Å
704	N	33.4	Very low	43.8	Very low	168 Å²	168	114.5 Å²	114.5	90%	0.898	62%	0.617	S	S	*	*			trans	-178.9	158.1	142.1	-89.1	-20.1	0	0	0	110.2
705	L	31	Very low	44.6	Very low	165 Å²	165	112.9 Å²	112.9	86%	0.864	61%	0.608	S	S	*	*			trans	-142.8	153	-171.4	-104.7	168.1	0	0	0	108.7
706	P	35	Very low	45.2	Very low	111 Å²	111	108.9 Å²	108.9	72%	0.721	60%	0.595	S	S	*	*				-123.1	151.8	-84	38.2	-28.4	0	0	0	112.8
707	E	29.3	Very low	46.3	Very low	190 Å²	190	108.6 Å²	108.6	89%	0.888	59%	0.594	S	S	*	*	S	Bend	trans	-130.9	118.6	166.5	-70.5	-165.4	132.4	0	0	111.6
708	V	32.1	Very low	47.6	Very low	116 Å²	116	109.1 Å²	109.1	70%	0.703	58%	0.584	S	S	*	*			trans	58.6	112.8	172.2	-165.8	0	0	0	0	116.8	Q710	V708-Q710 HydrophobicContact CB-CG 4.22Å; V708-Q710 HydrophobicContact CG1-CG 3.72Å; V708-Q710 PolarHBondContact O-N 3.09Å
709	D	36.8	Very low	48.9	Very low	167 Å²	167	106.6 Å²	106.6	89%	0.893	57%	0.57	S	S	*	*			trans	-65.8	77.3	161.6	-79.9	-50.7	0	0	0	110.8	K711	D709-K711 PolarHBondContact O-N 3.3Å
710	Q	45.9	Very low	49.8	Very low	159 Å²	159	100.7 Å²	100.7	74%	0.743	54%	0.54	S	S	*	.			trans	-69.8	93.3	172	-66.2	-165.2	9.4	0	0	109.3	V708 Q712	V708-Q710 HydrophobicContact CB-CG 4.22Å; V708-Q710 HydrophobicContact CG1-CG 3.72Å; V708-Q710 PolarHBondContact O-N 3.09Å; Q710-Q712 PolarHBondContact O-N 3.17Å
711	K	51.6	Low	50.7	Low	122 Å²	122	93.4 Å²	93.4	53%	0.53	51%	0.513	S	S	.	.			trans	-48.2	110.8	179.3	-65	-174.9	177.8	-173.4	0	110.3	S675 D709 H713	S675-K711 WeakPolarHBondContact O-CD 3.45Å; D709-K711 PolarHBondContact O-N 3.3Å; K711-H713 VanDerWaalsContact C-N 3.27Å; K711-H713 PolarHBondContact O-N 2.89Å
712	Q	61.9	Low	51.2	Low	40 Å²	40	93.1 Å²	93.1	19%	0.187	50%	0.502	C	S	.	.			trans	-75.1	70.8	-170.4	-61.6	-157.8	-43.3	0	0	112.6	G677 Q710 D732	G677-Q712 WeakPolarHBondContact CA-O 3.49Å; Q710-Q712 PolarHBondContact O-N 3.17Å; Q712-D732 PolarHBondContact NE2-OD2 2.88Å
713	H	69.9	Low	51.9	Low	24 Å²	24	92.9 Å²	92.9	11%	0.111	49%	0.488	C	S	.	.			trans	-61.2	143	-180	-52.1	-46.7	0	0	0	112.2	R636 S675 K711 S715 T730 L731	R636-H713 PolarHBondContact NH1-CD2 3.26Å; R636-H713 PolarHBondContact NH1-NE2 3.42Å; S675-H713 PolarHBondContact O-CE1 3.49Å; S675-H713 PolarHBondContact O-ND1 2.64Å; S675-H713 VanDerWaalsContact O-ND1 3.13Å; K711-H713 VanDerWaalsContact C-N 3.27Å; K711-H713 PolarHBondContact O-N 2.89Å; H713-S715 PolarHBondContact O-N 3.09Å; H713-T730 CarbonylContact O-C 3.49Å; H713-T730 VanDerWaalsContact O-CA 3.3Å; H713-T730 WeakPolarHBondContact O-CA 3.17Å; H713-T730 VanDerWaalsContact O-CB 3.29Å; H713-T730 WeakPolarHBondContact O-CB 3.5Å; H713-L731 HydrophobicContact CB-CD1 3.84Å; H713-L731 HydrophobicContact CB-CG 4.36Å; H713-L731 PolarHBondContact O-N 2.93Å
714	I	75.2	Confident	52.5	Low	2 Å²	2	86.3 Å²	86.3	1%	0.01	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.3	173.2	-60.1	178.7	0	0	0	108.8	G637 P638 G677 L679 Y696 I717 I729	G637-I714 WeakPolarHBondContact CA-O 3.45Å; P638-I714 WeakPolarHBondContact CD-O 3.43Å; G677-I714 WeakPolarHBondContact O-CD1 3.27Å; G677-I714 WeakPolarHBondContact O-CG1 3.5Å; L679-I714 HydrophobicContact CB-CD1 3.67Å; L679-I714 HydrophobicContact CD1-CD1 4.22Å; Y696-I714 HydrophobicContact CE2-CD1 4.21Å; Y696-I714 HydrophobicContact CE2-CG1 4.27Å; I714-I717 HydrophobicContact CG2-CD1 4.38Å; I714-I717 HydrophobicContact CG2-CG1 3.71Å; I714-I729 CarbonylContact C-O 3.57Å; I714-I729 WeakPolarHBondContact CG2-O 3.5Å
715	S	75.6	Confident	53.7	Low	54 Å²	54	81.6 Å²	81.6	38%	0.378	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-28.6	-177.9	61.6	0	0	0	0	112.8	H713 I729 T730	H713-S715 PolarHBondContact O-N 3.09Å; S715-I729 PolarHBondContact N-O 2.77Å; S715-I729 PolarHBondContact OG-O 2.54Å; S715-I729 VanDerWaalsContact OG-O 3.06Å; S715-T730 PolarHBondContact OG-O 3Å
716	S	75.5	Confident	55.3	Low	30 Å²	30	73.8 Å²	73.8	21%	0.21	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.9	176.9	-160.5	0	0	0	0	111.2	T728 I729	S716-T728 CarbonylContact O-C 3.52Å; S716-T728 VanDerWaalsContact O-CA 3.24Å; S716-T728 WeakPolarHBondContact O-CA 3.41Å; S716-I729 PolarHBondContact N-O 2.8Å; S716-I729 VanDerWaalsContact N-O 3.15Å; S716-I729 PolarHBondContact O-N 3.36Å
717	I	76.2	Confident	57	Low	14 Å²	14	70.9 Å²	70.9	7%	0.072	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123	166.7	-57.4	165.1	0	0	0	106.5	P638 L640 L679 I714 L726 Y727 T728	P638-I717 HydrophobicContact CG-CB 4.13Å; P638-I717 HydrophobicContact CG-CD1 3.98Å; P638-I717 HydrophobicContact CG-CG1 3.77Å; P638-I717 WeakPolarHBondContact O-CD1 3.3Å; L640-I717 HydrophobicContact CB-CB 4.48Å; L640-I717 HydrophobicContact CB-CG2 4.05Å; L640-I717 HydrophobicContact CD2-CG2 3.64Å; L679-I717 HydrophobicContact CD1-CD1 3.54Å; L679-I717 HydrophobicContact CD1-CG1 4.22Å; I714-I717 HydrophobicContact CG2-CD1 4.38Å; I714-I717 HydrophobicContact CG2-CG1 3.71Å; I717-L726 HydrophobicContact CG2-CD1 3.66Å; I717-L726 HydrophobicContact CG2-CD2 4.44Å; I717-L726 HydrophobicContact CG2-CG 4.21Å; I717-Y727 CarbonylContact C-O 3.6Å; I717-Y727 WeakPolarHBondContact CA-O 3.18Å; I717-T728 HydrophobicContact CB-CG2 4.31Å; I717-T728 HydrophobicContact CG1-CG2 3.87Å; I717-T728 HydrophobicContact CG2-CG2 4.08Å
718	K	69.8	Low	59.1	Low	109 Å²	109	61.8 Å²	61.8	47%	0.474	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.5	174.6	-62.3	-171.2	-179.4	-173.6	0	109.6	Y727	K718-Y727 PolarHBondContact N-O 3.22Å; K718-Y727 WeakPolarHBondContact O-CB 3.16Å; K718-Y727 WeakPolarHBondContact O-CD2 3.31Å; K718-Y727 PolarHBondContact O-N 3.35Å
719	S	64.9	Low	61.1	Low	42 Å²	42	57.8 Å²	57.8	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	156.1	172.1	56.7	0	0	0	0	111.7	R725	S719-R725 CarbonylContact C-O 3.53Å
720	N	56.8	Low	63	Low	38 Å²	38	49.9 Å²	49.9	20%	0.203	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	99.2	157	-175.3	-39.4	0	0	0	107.6	I722 F723 G724 R725 Y727	N720-I722 PolarHBondContact O-N 3.23Å; N720-I722 WeakPolarHBondContact OD1-CB 3.4Å; N720-I722 PolarHBondContact OD1-N 3.12Å; N720-I722 VanDerWaalsContact OD1-N 3.11Å; N720-F723 WeakPolarHBondContact ND2-CD2 3.41Å; N720-F723 PolarHBondContact O-N 2.79Å; N720-F723 PolarHBondContact OD1-N 3.21Å; N720-G724 PolarHBondContact O-N 3.29Å; N720-G724 VanDerWaalsContact O-N 3.16Å; N720-R725 PolarHBondContact N-O 3.43Å; N720-R725 PolarHBondContact O-N 3.12Å; N720-Y727 HydrophobicContact CB-CE2 3.96Å
721	P	47.5	Very low	64	Low	45 Å²	45	46.8 Å²	46.8	29%	0.292	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.1	-175.7	26.7	-34.1	0	0	0	113.1	F723	P721-F723 VanDerWaalsContact C-N 3.34Å
722	I	42.3	Very low	64.8	Low	102 Å²	102	45.1 Å²	45.1	52%	0.523	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-36	177.5	-54.5	170.5	0	0	0	111.1	F650 N720	F650-I722 HydrophobicContact CE1-CG1 4.42Å; F650-I722 HydrophobicContact CE1-CG2 4.18Å; F650-I722 HydrophobicContact CZ-CB 4.27Å; F650-I722 HydrophobicContact CZ-CG1 4.24Å; F650-I722 HydrophobicContact CZ-CG2 4.36Å; N720-I722 PolarHBondContact O-N 3.23Å; N720-I722 WeakPolarHBondContact OD1-CB 3.4Å; N720-I722 PolarHBondContact OD1-N 3.12Å; N720-I722 VanDerWaalsContact OD1-N 3.11Å
723	F	45.7	Very low	64.9	Low	102 Å²	102	44.7 Å²	44.7	45%	0.447	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	1	-177	-59.6	-50.9	0	0	0	114.8	N720 P721 R725	N720-F723 WeakPolarHBondContact ND2-CD2 3.41Å; N720-F723 PolarHBondContact O-N 2.79Å; N720-F723 PolarHBondContact OD1-N 3.21Å; P721-F723 VanDerWaalsContact C-N 3.34Å; F723-R725 HydrophobicContact CB-CG 4.04Å; F723-R725 PolarHBondContact O-N 3.23Å
724	G	47.4	Very low	64.9	Low	12 Å²	12	46.4 Å²	46.4	12%	0.124	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	34.8	-173.4	0	0	0	0	0	112.7	N720 L740	N720-G724 PolarHBondContact O-N 3.29Å; N720-G724 VanDerWaalsContact O-N 3.16Å; G724-L740 CarbonylContact O-C 3.53Å; G724-L740 WeakPolarHBondContact O-CA 3.39Å; G724-L740 WeakPolarHBondContact O-CB 3.5Å; G724-L740 PolarHBondContact O-N 3.08Å
725	R	57.3	Low	64.6	Low	70 Å²	70	49.8 Å²	49.8	26%	0.264	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.4	-178.5	-67.3	-175.6	-175.2	-165.8	1.4	110.2	S719 N720 F723 Y727	S719-R725 CarbonylContact C-O 3.53Å; N720-R725 PolarHBondContact N-O 3.43Å; N720-R725 PolarHBondContact O-N 3.12Å; F723-R725 HydrophobicContact CB-CG 4.04Å; F723-R725 PolarHBondContact O-N 3.23Å; R725-Y727 HydrophobicContact CB-CE2 3.68Å; R725-Y727 WeakPolarHBondContact CD-OH 3.45Å
726	L	64.3	Low	64.1	Low	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.9	172.6	-174.8	78.1	0	0	0	108.5	L640 Y642 L671 L679 I717 T728 W738 L740	L640-L726 HydrophobicContact CD2-CD1 3.83Å; Y642-L726 HydrophobicContact CD2-CD1 4.38Å; L671-L726 HydrophobicContact CD1-CD1 3.61Å; L671-L726 HydrophobicContact CD1-CD2 3.68Å; L671-L726 HydrophobicContact CD1-CG 4.31Å; L679-L726 HydrophobicContact CD2-CD2 3.61Å; I717-L726 HydrophobicContact CG2-CD1 3.66Å; I717-L726 HydrophobicContact CG2-CD2 4.44Å; I717-L726 HydrophobicContact CG2-CG 4.21Å; L726-T728 HydrophobicContact CD2-CG2 4.48Å; L726-W738 HydrophobicContact CB-CB 4.25Å; L726-W738 PolarHBondContact N-O 2.96Å; L726-W738 PolarHBondContact O-N 3.31Å; L726-L740 HydrophobicContact CB-CB 4.46Å; L726-L740 HydrophobicContact CB-CD1 3.93Å; L726-L740 HydrophobicContact CD2-CD1 4.09Å
727	Y	71.5	Confident	63.5	Low	50 Å²	50	52.4 Å²	52.4	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.7	-178.7	-58.8	-97	0	0	0	107.7	I717 K718 N720 R725 L735 V737	I717-Y727 CarbonylContact C-O 3.6Å; I717-Y727 WeakPolarHBondContact CA-O 3.18Å; K718-Y727 PolarHBondContact N-O 3.22Å; K718-Y727 WeakPolarHBondContact O-CB 3.16Å; K718-Y727 WeakPolarHBondContact O-CD2 3.31Å; K718-Y727 PolarHBondContact O-N 3.35Å; N720-Y727 HydrophobicContact CB-CE2 3.96Å; R725-Y727 HydrophobicContact CB-CE2 3.68Å; R725-Y727 WeakPolarHBondContact CD-OH 3.45Å; Y727-L735 HydrophobicContact CD1-CD1 4.29Å; Y727-V737 HydrophobicContact CD1-CB 4.41Å; Y727-V737 HydrophobicContact CD1-CG1 4.04Å; Y727-V737 HydrophobicContact CD1-CG2 3.78Å; Y727-V737 HydrophobicContact CE1-CB 4.47Å; Y727-V737 HydrophobicContact CE1-CG1 3.76Å; Y727-V737 HydrophobicContact CE1-CG2 3.91Å
728	T	73.8	Confident	62.8	Low	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.6	172.8	57.3	0	0	0	0	111	L679 Y696 S716 I717 L726 L735 K736 W738	L679-T728 HydrophobicContact CD2-CG2 4.09Å; Y696-T728 PolarHBondContact OH-OG1 3.05Å; S716-T728 CarbonylContact O-C 3.52Å; S716-T728 VanDerWaalsContact O-CA 3.24Å; S716-T728 WeakPolarHBondContact O-CA 3.41Å; I717-T728 HydrophobicContact CB-CG2 4.31Å; I717-T728 HydrophobicContact CG1-CG2 3.87Å; I717-T728 HydrophobicContact CG2-CG2 4.08Å; L726-T728 HydrophobicContact CD2-CG2 4.48Å; T728-L735 CarbonylContact O-C 3.55Å; T728-L735 WeakPolarHBondContact O-CA 3.43Å; T728-K736 PolarHBondContact N-O 3.46Å; T728-K736 PolarHBondContact O-N 3.42Å; T728-W738 PolarHBondContact OG1-NE1 3.22Å
729	I	73.7	Confident	61.9	Low	31 Å²	31	54 Å²	54	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.3	177.4	-48.4	177.5	0	0	0	106.7	V329 I714 S715 S716 T734 L735	V329-I729 HydrophobicContact CG2-CD1 4.2Å; I714-I729 CarbonylContact C-O 3.57Å; I714-I729 WeakPolarHBondContact CG2-O 3.5Å; S715-I729 PolarHBondContact N-O 2.77Å; S715-I729 PolarHBondContact OG-O 2.54Å; S715-I729 VanDerWaalsContact OG-O 3.06Å; S716-I729 PolarHBondContact N-O 2.8Å; S716-I729 VanDerWaalsContact N-O 3.15Å; S716-I729 PolarHBondContact O-N 3.36Å; I729-T734 WeakPolarHBondContact CA-O 3.27Å; I729-L735 HydrophobicContact CD1-CD1 4.47Å; I729-L735 HydrophobicContact CG1-CD1 3.79Å
730	T	75.4	Confident	61	Low	2 Å²	2	53 Å²	53	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	177.6	169.4	85.9	0	0	0	0	112	Y696 H713 S715 D732 G733 T734	Y696-T730 HydrophobicContact CD1-CG2 3.39Å; Y696-T730 HydrophobicContact CE1-CG2 3.11Å; Y696-T730 HydrophobicContact CE2-CG2 4.39Å; Y696-T730 HydrophobicContact CG-CG2 4.14Å; H713-T730 CarbonylContact O-C 3.49Å; H713-T730 VanDerWaalsContact O-CA 3.3Å; H713-T730 WeakPolarHBondContact O-CA 3.17Å; H713-T730 VanDerWaalsContact O-CB 3.29Å; H713-T730 WeakPolarHBondContact O-CB 3.5Å; S715-T730 PolarHBondContact OG-O 3Å; T730-D732 PolarHBondContact O-N 3.13Å; T730-D732 PolarHBondContact OG1-N 3.37Å; T730-D732 PolarHBondContact OG1-OD1 2.87Å; T730-G733 PolarHBondContact O-N 3.31Å; T730-T734 PolarHBondContact N-O 2.8Å; T730-T734 PolarHBondContact OG1-OG1 3.48Å; T730-T734 VanDerWaalsContact OG1-OG1 3.05Å
731	L	68.1	Low	60.1	Low	94 Å²	94	53.5 Å²	53.5	49%	0.492	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.8	176.4	-74	171.1	0	0	0	114.3	H713 G733	H713-L731 HydrophobicContact CB-CD1 3.84Å; H713-L731 HydrophobicContact CB-CG 4.36Å; H713-L731 PolarHBondContact O-N 2.93Å; L731-G733 VanDerWaalsContact C-N 3.3Å
732	D	68.7	Low	59.3	Low	87 Å²	87	54.5 Å²	54.5	47%	0.465	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1	176.7	74	4.9	0	0	0	114	Q712 T730 T734	Q712-D732 PolarHBondContact NE2-OD2 2.88Å; T730-D732 PolarHBondContact O-N 3.13Å; T730-D732 PolarHBondContact OG1-N 3.37Å; T730-D732 PolarHBondContact OG1-OD1 2.87Å; D732-T734 WeakPolarHBondContact OD1-CB 3.19Å; D732-T734 WeakPolarHBondContact OD1-CG2 3.24Å; D732-T734 PolarHBondContact OD1-N 3.21Å; D732-T734 PolarHBondContact OD1-OG1 2.64Å
733	G	64.1	Low	58.5	Low	31 Å²	31	52.5 Å²	52.5	32%	0.32	28%	0.277	S	S	.	.			trans	86.9	-0.6	-176.8	0	0	0	0	0	115.2	T730 L731 L735	T730-G733 PolarHBondContact O-N 3.31Å; L731-G733 VanDerWaalsContact C-N 3.3Å; G733-L735 PolarHBondContact O-N 2.85Å
734	T	69.5	Low	57.6	Low	59 Å²	59	52.2 Å²	52.2	36%	0.362	28%	0.279	S	S	.	.			trans	-62.6	107.3	177.6	46	0	0	0	0	112.2	I729 T730 D732 K736	I729-T734 WeakPolarHBondContact CA-O 3.27Å; T730-T734 PolarHBondContact N-O 2.8Å; T730-T734 PolarHBondContact OG1-OG1 3.48Å; T730-T734 VanDerWaalsContact OG1-OG1 3.05Å; D732-T734 WeakPolarHBondContact OD1-CB 3.19Å; D732-T734 WeakPolarHBondContact OD1-CG2 3.24Å; D732-T734 PolarHBondContact OD1-N 3.21Å; D732-T734 PolarHBondContact OD1-OG1 2.64Å; T734-K736 PolarHBondContact O-N 3.05Å
735	L	67.6	Low	56.4	Low	74 Å²	74	56.7 Å²	56.7	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108.7	172.3	178.2	67.6	0	0	0	110.6	Y727 T728 I729 G733 V737	Y727-L735 HydrophobicContact CD1-CD1 4.29Å; T728-L735 CarbonylContact O-C 3.55Å; T728-L735 WeakPolarHBondContact O-CA 3.43Å; I729-L735 HydrophobicContact CD1-CD1 4.47Å; I729-L735 HydrophobicContact CG1-CD1 3.79Å; G733-L735 PolarHBondContact O-N 2.85Å; L735-V737 HydrophobicContact CD2-CG2 4.44Å; L735-V737 HydrophobicContact CG-CG2 4.29Å
736	K	66.1	Low	54.9	Low	66 Å²	66	59 Å²	59	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.3	162	-70.6	-171.8	-173.2	158.5	0	110.2	Y696 T728 T734 W738	Y696-K736 HydrophobicContact CD1-CD 4.18Å; Y696-K736 VanDerWaalsContact CD1-CE 3.45Å; Y696-K736 HydrophobicContact CE1-CD 3.44Å; Y696-K736 VanDerWaalsContact CE1-CD 3.44Å; Y696-K736 HydrophobicContact CE1-CG 3.85Å; Y696-K736 HydrophobicContact CE2-CD 4.25Å; T728-K736 PolarHBondContact N-O 3.46Å; T728-K736 PolarHBondContact O-N 3.42Å; T734-K736 PolarHBondContact O-N 3.05Å; K736-W738 HydrophobicContact CB-CZ2 4.32Å; K736-W738 HydrophobicContact CD-CH2 3.9Å; K736-W738 HydrophobicContact CD-CZ2 3.81Å
737	V	62.7	Low	53	Low	73 Å²	73	61.9 Å²	61.9	44%	0.442	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	102.2	170.8	-171.1	0	0	0	0	108.2	Y727 L735 Q739	Y727-V737 HydrophobicContact CD1-CB 4.41Å; Y727-V737 HydrophobicContact CD1-CG1 4.04Å; Y727-V737 HydrophobicContact CD1-CG2 3.78Å; Y727-V737 HydrophobicContact CE1-CB 4.47Å; Y727-V737 HydrophobicContact CE1-CG1 3.76Å; Y727-V737 HydrophobicContact CE1-CG2 3.91Å; L735-V737 HydrophobicContact CD2-CG2 4.44Å; L735-V737 HydrophobicContact CG-CG2 4.29Å; V737-Q739 PolarHBondContact O-N 3.13Å
738	W	62.1	Low	50.8	Low	31 Å²	31	66 Å²	66	12%	0.117	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.7	170.9	-43	96.2	0	0	0	108.6	T693 Y696 L726 T728 K736 L740 P771	T693-W738 HydrophobicContact CG2-CH2 3.61Å; T693-W738 HydrophobicContact CG2-CZ2 3.83Å; T693-W738 HydrophobicContact CG2-CZ3 4.03Å; Y696-W738 HydrophobicContact CE2-CZ2 4.25Å; L726-W738 HydrophobicContact CB-CB 4.25Å; L726-W738 PolarHBondContact N-O 2.96Å; L726-W738 PolarHBondContact O-N 3.31Å; T728-W738 PolarHBondContact OG1-NE1 3.22Å; K736-W738 HydrophobicContact CB-CZ2 4.32Å; K736-W738 HydrophobicContact CD-CH2 3.9Å; K736-W738 HydrophobicContact CD-CZ2 3.81Å; W738-L740 PolarHBondContact O-N 2.89Å; W738-P771 HydrophobicContact CB-CG 4.33Å; W738-P771 HydrophobicContact CD2-CB 4.24Å; W738-P771 HydrophobicContact CE3-CB 3.37Å; W738-P771 HydrophobicContact CE3-CG 4.29Å; W738-P771 HydrophobicContact CZ3-CB 3.86Å
739	Q	50.6	Low	48.5	Very low	124 Å²	124	73.6 Å²	73.6	58%	0.579	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	95.5	165.1	-172.9	172.1	5.4	0	0	107.5	V737 I741	V737-Q739 PolarHBondContact O-N 3.13Å; Q739-I741 PolarHBondContact O-N 2.82Å
740	L	45.6	Very low	46.2	Very low	23 Å²	23	78.8 Å²	78.8	12%	0.12	44%	0.439	C	S	.	.			trans	-81.3	71.1	-174.6	-151.3	162.6	0	0	0	108.8	Y642 G724 L726 W738 T742 F772	Y642-L740 HydrophobicContact CD1-CD1 4.37Å; Y642-L740 HydrophobicContact CD2-CD1 4.41Å; Y642-L740 HydrophobicContact CE1-CD1 4.08Å; Y642-L740 HydrophobicContact CE1-CD2 3.94Å; Y642-L740 HydrophobicContact CE2-CD1 4.12Å; G724-L740 CarbonylContact O-C 3.53Å; G724-L740 WeakPolarHBondContact O-CA 3.39Å; G724-L740 WeakPolarHBondContact O-CB 3.5Å; G724-L740 PolarHBondContact O-N 3.08Å; L726-L740 HydrophobicContact CB-CB 4.46Å; L726-L740 HydrophobicContact CB-CD1 3.93Å; L726-L740 HydrophobicContact CD2-CD1 4.09Å; W738-L740 PolarHBondContact O-N 2.89Å; L740-T742 PolarHBondContact O-N 2.89Å; L740-F772 HydrophobicContact CG-CE2 4.48Å
741	I	38.4	Very low	43.9	Very low	47 Å²	47	83.1 Å²	83.1	24%	0.241	46%	0.459	C	S	.	.			trans	22.3	93.2	179	-58	-171.4	0	0	0	113.2	Q739 P743 F767 F770	Q739-I741 PolarHBondContact O-N 2.82Å; I741-P743 WeakPolarHBondContact O-CD 3.45Å; I741-P743 VanDerWaalsContact O-N 3.1Å; I741-F767 HydrophobicContact CD1-CD1 4.15Å; I741-F770 HydrophobicContact CD1-CD2 3.45Å; I741-F770 VanDerWaalsContact CD1-CD2 3.45Å; I741-F770 HydrophobicContact CD1-CE2 3.98Å; I741-F770 HydrophobicContact CD1-CG 4.4Å
742	T	29.7	Very low	41.8	Very low	67 Å²	67	87.4 Å²	87.4	41%	0.411	47%	0.473	S	S	.	.			trans	-50	113.7	137.4	46.7	0	0	0	0	106.1	L740 L744	L740-T742 PolarHBondContact O-N 2.89Å; T742-L744 VanDerWaalsContact C-N 3.32Å; T742-L744 PolarHBondContact O-N 2.67Å
743	P	26.8	Very low	39.8	Very low	59 Å²	59	91.2 Å²	91.2	38%	0.383	49%	0.493	S	S	.	.			trans	-56.6	101.9	178.4	22	-34.7	0	0	0	108.2	P647 I741	P647-P743 VanDerWaalsContact CD-CG 3.4Å; P647-P743 HydrophobicContact CG-CG 3.39Å; I741-P743 WeakPolarHBondContact O-CD 3.45Å; I741-P743 VanDerWaalsContact O-N 3.1Å
744	L	25.2	Very low	37.9	Very low	96 Å²	96	96 Å²	96	50%	0.503	51%	0.511	S	S	.	.			trans	-51.4	127.9	161.6	-69.1	161.9	0	0	0	104.7	T742 I746	T742-L744 VanDerWaalsContact C-N 3.32Å; T742-L744 PolarHBondContact O-N 2.67Å; L744-I746 PolarHBondContact O-N 3.06Å
745	P	23.5	Very low	35.8	Very low	107 Å²	107	100.4 Å²	100.4	70%	0.695	53%	0.531	S	S	*	.			trans	-52.7	121.4	168.7	23.9	-32.2	0	0	0	105.7	G747	P745-G747 PolarHBondContact O-N 3.29Å
746	I	25.2	Very low	33.9	Very low	117 Å²	117	104.8 Å²	104.8	60%	0.6	55%	0.547	S	S	*	.			trans	-75.2	73.4	-174.4	-52.2	-178.3	0	0	0	107.4	L744 I748	L744-I746 PolarHBondContact O-N 3.06Å; I746-I748 VanDerWaalsContact C-N 3.27Å; I746-I748 HydrophobicContact CG2-CG1 4.13Å; I746-I748 PolarHBondContact O-N 3.25Å
747	G	24.5	Very low	32	Very low	61 Å²	61	108 Å²	108	63%	0.629	56%	0.563	S	S	*	*			trans	-62.4	97.6	158.4	0	0	0	0	0	106	P745 Q749	P745-G747 PolarHBondContact O-N 3.29Å; G747-Q749 VanDerWaalsContact C-N 3.27Å; G747-Q749 PolarHBondContact O-N 2.77Å
748	I	25.6	Very low	30.2	Very low	137 Å²	137	113.7 Å²	113.7	70%	0.703	58%	0.577	S	S	*	*			trans	-62.5	93.6	178.1	-56.3	175.7	0	0	0	106.7	I746 I750	I746-I748 VanDerWaalsContact C-N 3.27Å; I746-I748 HydrophobicContact CG2-CG1 4.13Å; I746-I748 PolarHBondContact O-N 3.25Å; I748-I750 VanDerWaalsContact C-N 3.27Å; I748-I750 HydrophobicContact CG2-CG1 3.89Å; I748-I750 PolarHBondContact O-N 2.77Å
749	Q	25	Very low	28.4	Very low	159 Å²	159	119.1 Å²	119.1	74%	0.743	61%	0.608	S	S	*	*			trans	-71	92.2	170.4	-77.7	-166	-20.4	0	0	107.7	G747 Q751	G747-Q749 VanDerWaalsContact C-N 3.27Å; G747-Q749 PolarHBondContact O-N 2.77Å; Q749-Q751 PolarHBondContact O-N 3.47Å
750	I	25.5	Very low	27.4	Very low	141 Å²	141	123.2 Å²	123.2	72%	0.723	62%	0.624	S	S	*	*			trans	-69.7	72.7	166.4	-50.6	176.9	0	0	0	107.3	I748 K752	I748-I750 VanDerWaalsContact C-N 3.27Å; I748-I750 HydrophobicContact CG2-CG1 3.89Å; I748-I750 PolarHBondContact O-N 2.77Å; I750-K752 PolarHBondContact O-N 2.73Å
751	Q	26.4	Very low	26.4	Very low	93 Å²	93	127.1 Å²	127.1	44%	0.435	65%	0.653	S	S	.	*			trans	-70.4	124.7	165	-83.2	-171.9	-32.8	0	0	107.9	F204 Q749 L753	F204-Q751 PolarHBondContact O-NE2 3.49Å; Q749-Q751 PolarHBondContact O-N 3.47Å; Q751-L753 PolarHBondContact O-N 2.77Å
752	K	25	Very low	25.8	Very low	183 Å²	183	129.6 Å²	129.6	80%	0.796	67%	0.667	S	S	*	*			trans	-63.7	121.2	174.7	-66.5	177.9	175.4	-177.9	0	109.1	I750	I750-K752 PolarHBondContact O-N 2.73Å
753	L	26.6	Very low	25.6	Very low	168 Å²	168	134.9 Å²	134.9	88%	0.88	69%	0.692	S	S	*	*			trans	-143	92.8	160.7	-109.7	159.4	0	0	0	108.2	Q751	Q751-L753 PolarHBondContact O-N 2.77Å
754	D	24.2	Very low	25.5	Very low	131 Å²	131	138.4 Å²	138.4	70%	0.701	70%	0.697	S	S	*	*			trans	-61.9	173.8	160.9	-58.1	-81.7	0	0	0	110.4
755	I	26.2	Very low	25.5	Very low	151 Å²	151	138 Å²	138	77%	0.774	70%	0.698	S	S	*	*			trans	85.9	95.8	163.6	-55.9	168.7	0	0	0	116.4
756	F	26.2	Very low	25.6	Very low	167 Å²	167	140.5 Å²	140.5	73%	0.732	70%	0.695	S	S	*	*			trans	82.1	116.1	139	-81.2	-136.5	0	0	0	121.7
757	Q	27.1	Very low	25.7	Very low	132 Å²	132	138.1 Å²	138.1	62%	0.617	68%	0.681	S	S	*	*			trans	62.8	145.4	134.3	-56.6	-172	31.3	0	0	119.4
758	R	24.4	Very low	25.8	Very low	194 Å²	194	141.7 Å²	141.7	73%	0.732	69%	0.691	S	S	*	*			cis	-159.4	157.1	-16.5	-116.3	171.4	178.8	157.9	-6.8	106.5
759	D	25.6	Very low	26	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	69%	0.689	S	S	*	*	S	Bend	trans	65.1	131.8	167.8	-53.1	-32.7	0	0	0	119.4
760	K	28.4	Very low	26.4	Very low	211 Å²	211	139.4 Å²	139.4	92%	0.917	67%	0.668	S	S	*	*			trans	54.3	87.9	160.7	-59.9	178	-175.5	175.7	0	117.8
761	S	25.5	Very low	27	Very low	104 Å²	104	134 Å²	134	73%	0.727	64%	0.643	S	S	*	*			trans	-136.5	103.4	154.2	62.8	0	0	0	0	112.5
762	N	25.3	Very low	27.9	Very low	100 Å²	100	130.3 Å²	130.3	54%	0.535	63%	0.625	S	S	.	*			trans	-37.4	152.5	138.8	-63.6	-4.7	0	0	0	110.7	R764 N777	N762-R764 PolarHBondContact O-N 3.42Å; N762-N777 VanDerWaalsContact ND2-CG 3.27Å; N762-N777 PolarHBondContact ND2-ND2 2.85Å; N762-N777 PolarHBondContact ND2-OD1 2.84Å
763	L	25.7	Very low	28.6	Very low	178 Å²	178	127.9 Å²	127.9	93%	0.932	62%	0.617	S	S	*	*			trans	-72.9	65.3	179.6	-118.6	166.5	0	0	0	111.9	V765	L763-V765 PolarHBondContact O-N 3.31Å; L763-V765 VanDerWaalsContact O-N 3.11Å
764	R	24.4	Very low	29.4	Very low	132 Å²	132	122.9 Å²	122.9	50%	0.498	59%	0.59	S	S	.	*			trans	-58.5	112.7	169.4	-79.8	-178.6	165.2	-175.2	-7.5	108.3	N762 Y766	N762-R764 PolarHBondContact O-N 3.42Å; R764-Y766 HydrophobicContact CB-CD2 4.01Å; R764-Y766 HydrophobicContact CB-CE2 3.84Å; R764-Y766 WeakPolarHBondContact CD-OH 3.06Å; R764-Y766 PolarHBondContact NH1-OH 2.8Å; R764-Y766 VanDerWaalsContact NH1-OH 3.1Å; R764-Y766 PolarHBondContact O-N 2.93Å
765	V	25.9	Very low	30.3	Very low	87 Å²	87	120.1 Å²	120.1	53%	0.527	58%	0.575	S	S	.	*			trans	-66.3	92.4	158.8	-179.2	0	0	0	0	106.5	L763 F767	L763-V765 PolarHBondContact O-N 3.31Å; L763-V765 VanDerWaalsContact O-N 3.11Å; V765-F767 HydrophobicContact CB-CD2 4.22Å; V765-F767 HydrophobicContact CB-CE2 4.02Å; V765-F767 HydrophobicContact CG1-CD1 4.18Å; V765-F767 HydrophobicContact CG1-CD2 3.78Å; V765-F767 HydrophobicContact CG1-CE1 4.08Å; V765-F767 HydrophobicContact CG1-CE2 3.67Å; V765-F767 HydrophobicContact CG1-CG 4.04Å; V765-F767 HydrophobicContact CG1-CZ 3.83Å; V765-F767 VanDerWaalsContact O-CD2 3.31Å; V765-F767 WeakPolarHBondContact O-CD2 3.14Å; V765-F767 PolarHBondContact O-N 3.12Å
766	Y	25.5	Very low	30.7	Very low	161 Å²	161	116.1 Å²	116.1	63%	0.631	56%	0.555	S	S	*	*			trans	-68.3	81.6	169	-79.6	-73.7	0	0	0	108.6	R764 T768	R764-Y766 HydrophobicContact CB-CD2 4.01Å; R764-Y766 HydrophobicContact CB-CE2 3.84Å; R764-Y766 WeakPolarHBondContact CD-OH 3.06Å; R764-Y766 PolarHBondContact NH1-OH 2.8Å; R764-Y766 VanDerWaalsContact NH1-OH 3.1Å; R764-Y766 PolarHBondContact O-N 2.93Å; Y766-T768 VanDerWaalsContact C-N 3.28Å; Y766-T768 PolarHBondContact O-N 3.37Å
767	F	27.3	Very low	30.9	Very low	66 Å²	66	114 Å²	114	29%	0.289	55%	0.551	S	S	.	*			trans	-60	92.4	163.3	-69.7	-80.9	0	0	0	108.2	I741 V765 R769 F770 I774	I741-F767 HydrophobicContact CD1-CD1 4.15Å; V765-F767 HydrophobicContact CB-CD2 4.22Å; V765-F767 HydrophobicContact CB-CE2 4.02Å; V765-F767 HydrophobicContact CG1-CD1 4.18Å; V765-F767 HydrophobicContact CG1-CD2 3.78Å; V765-F767 HydrophobicContact CG1-CE1 4.08Å; V765-F767 HydrophobicContact CG1-CE2 3.67Å; V765-F767 HydrophobicContact CG1-CG 4.04Å; V765-F767 HydrophobicContact CG1-CZ 3.83Å; V765-F767 VanDerWaalsContact O-CD2 3.31Å; V765-F767 WeakPolarHBondContact O-CD2 3.14Å; V765-F767 PolarHBondContact O-N 3.12Å; F767-R769 PolarHBondContact O-N 3.2Å; F767-F770 HydrophobicContact CB-CB 3.64Å; F767-F770 HydrophobicContact CB-CD2 3.5Å; F767-F770 HydrophobicContact CB-CG 3.89Å; F767-F770 AromaticContact CD1-CD2 3.83Å; F767-F770 HydrophobicContact CD1-CD2 3.83Å; F767-F770 HydrophobicContact CD1-CE2 4.14Å; F767-F770 AromaticContact CD2-CD2 3.64Å; F767-F770 HydrophobicContact CD2-CD2 3.64Å; F767-F770 AromaticContact CD2-CE2 3.89Å; F767-F770 HydrophobicContact CD2-CE2 3.89Å; F767-F770 HydrophobicContact CD2-CG 4.25Å; F767-F770 HydrophobicContact CE1-CD2 4.4Å; F767-F770 HydrophobicContact CE1-CE2 4.24Å; F767-F770 HydrophobicContact CE2-CD2 4.23Å; F767-F770 HydrophobicContact CE2-CE2 4Å; F767-F770 HydrophobicContact CG-CB 4.46Å; F767-F770 AromaticContact CG-CD2 3.41Å; F767-F770 HydrophobicContact CG-CD2 3.41Å; F767-F770 VanDerWaalsContact CG-CD2 3.41Å; F767-F770 AromaticContact CG-CE2 3.97Å; F767-F770 HydrophobicContact CG-CE2 3.97Å; F767-F770 HydrophobicContact CG-CG 4.18Å; F767-F770 HydrophobicContact CZ-CE2 4.17Å; F767-F770 PolarHBondContact O-N 2.81Å; F767-I774 HydrophobicContact CD2-CD1 4.19Å; F767-I774 HydrophobicContact CE2-CD1 4.47Å
768	T	25.6	Very low	31	Very low	137 Å²	137	110 Å²	110	84%	0.84	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	1.4	-179.9	53.7	0	0	0	0	114.4	Y766	Y766-T768 VanDerWaalsContact C-N 3.28Å; Y766-T768 PolarHBondContact O-N 3.37Å
769	R	30	Very low	31.1	Very low	175 Å²	175	106.7 Å²	106.7	66%	0.66	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.7	22.8	172.7	-63.4	-172.8	176.9	177.9	-0.3	113.5	F767	F767-R769 PolarHBondContact O-N 3.2Å
770	F	32.5	Very low	31.2	Very low	73 Å²	73	104.4 Å²	104.4	32%	0.32	52%	0.519	S	S	.	.			trans	-70.8	132.6	163.3	-124	-114.1	0	0	0	108.4	I741 F767 F772	I741-F770 HydrophobicContact CD1-CD2 3.45Å; I741-F770 VanDerWaalsContact CD1-CD2 3.45Å; I741-F770 HydrophobicContact CD1-CE2 3.98Å; I741-F770 HydrophobicContact CD1-CG 4.4Å; F767-F770 HydrophobicContact CB-CB 3.64Å; F767-F770 HydrophobicContact CB-CD2 3.5Å; F767-F770 HydrophobicContact CB-CG 3.89Å; F767-F770 AromaticContact CD1-CD2 3.83Å; F767-F770 HydrophobicContact CD1-CD2 3.83Å; F767-F770 HydrophobicContact CD1-CE2 4.14Å; F767-F770 AromaticContact CD2-CD2 3.64Å; F767-F770 HydrophobicContact CD2-CD2 3.64Å; F767-F770 AromaticContact CD2-CE2 3.89Å; F767-F770 HydrophobicContact CD2-CE2 3.89Å; F767-F770 HydrophobicContact CD2-CG 4.25Å; F767-F770 HydrophobicContact CE1-CD2 4.4Å; F767-F770 HydrophobicContact CE1-CE2 4.24Å; F767-F770 HydrophobicContact CE2-CD2 4.23Å; F767-F770 HydrophobicContact CE2-CE2 4Å; F767-F770 HydrophobicContact CG-CB 4.46Å; F767-F770 AromaticContact CG-CD2 3.41Å; F767-F770 HydrophobicContact CG-CD2 3.41Å; F767-F770 VanDerWaalsContact CG-CD2 3.41Å; F767-F770 AromaticContact CG-CE2 3.97Å; F767-F770 HydrophobicContact CG-CE2 3.97Å; F767-F770 HydrophobicContact CG-CG 4.18Å; F767-F770 HydrophobicContact CZ-CE2 4.17Å; F767-F770 PolarHBondContact O-N 2.81Å; F770-F772 HydrophobicContact CD1-CB 3.92Å; F770-F772 AromaticContact CD1-CD2 3.76Å; F770-F772 HydrophobicContact CD1-CD2 3.76Å; F770-F772 HydrophobicContact CD1-CG 4.34Å; F770-F772 WeakPolarHBondContact CD1-O 3.34Å; F770-F772 HydrophobicContact CE1-CB 4.36Å; F770-F772 AromaticContact CE1-CD2 3.81Å; F770-F772 HydrophobicContact CE1-CD2 3.81Å; F770-F772 PolarHBondContact O-N 2.93Å
771	P	39.3	Very low	31.1	Very low	28 Å²	28	103.3 Å²	103.3	18%	0.182	51%	0.511	C	S	.	.	S	Bend	trans	-77.6	-2.4	171.3	25.5	-25.9	0	0	0	113.6	W738	W738-P771 HydrophobicContact CB-CG 4.33Å; W738-P771 HydrophobicContact CD2-CB 4.24Å; W738-P771 HydrophobicContact CE3-CB 3.37Å; W738-P771 HydrophobicContact CE3-CG 4.29Å; W738-P771 HydrophobicContact CZ3-CB 3.86Å
772	F	44.6	Very low	31.1	Very low	15 Å²	15	100.9 Å²	100.9	7%	0.066	49%	0.493	C	S	.	.	S	Bend	trans	-121.5	139.4	-177.4	-42.2	-96	0	0	0	111.7	L671 L679 V681 S691 K692 T693 L740 F770	L671-F772 HydrophobicContact CD2-CZ 4.49Å; L679-F772 HydrophobicContact CD2-CE1 3.6Å; L679-F772 HydrophobicContact CD2-CZ 4.05Å; L679-F772 HydrophobicContact CG-CE1 3.96Å; V681-F772 HydrophobicContact CG2-CD1 3.56Å; V681-F772 HydrophobicContact CG2-CD2 4.34Å; V681-F772 HydrophobicContact CG2-CE1 3.49Å; V681-F772 VanDerWaalsContact CG2-CE1 3.49Å; V681-F772 HydrophobicContact CG2-CE2 4.28Å; V681-F772 HydrophobicContact CG2-CG 4.02Å; V681-F772 HydrophobicContact CG2-CZ 3.88Å; S691-F772 VanDerWaalsContact CB-CB 3.48Å; S691-F772 VanDerWaalsContact OG-CB 3.27Å; S691-F772 WeakPolarHBondContact OG-CB 3.41Å; K692-F772 CarbonylContact O-C 3.49Å; K692-F772 WeakPolarHBondContact O-CA 3.43Å; T693-F772 HydrophobicContact CG2-CD1 3.36Å; T693-F772 HydrophobicContact CG2-CE1 3.6Å; T693-F772 HydrophobicContact CG2-CG 4.23Å; L740-F772 HydrophobicContact CG-CE2 4.48Å; F770-F772 HydrophobicContact CD1-CB 3.92Å; F770-F772 AromaticContact CD1-CD2 3.76Å; F770-F772 HydrophobicContact CD1-CD2 3.76Å; F770-F772 HydrophobicContact CD1-CG 4.34Å; F770-F772 WeakPolarHBondContact CD1-O 3.34Å; F770-F772 HydrophobicContact CE1-CB 4.36Å; F770-F772 AromaticContact CE1-CD2 3.81Å; F770-F772 HydrophobicContact CE1-CD2 3.81Å; F770-F772 PolarHBondContact O-N 2.93Å
773	E	40.8	Very low	31	Very low	132 Å²	132	103.6 Å²	103.6	62%	0.617	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.6	167.7	-179.8	169.4	-163.4	0	0	109.9	S691 K692	S691-E773 CarbonylContact C-O 3.59Å; S691-E773 WeakPolarHBondContact CA-O 3.48Å; S691-E773 WeakPolarHBondContact CB-O 3.48Å; K692-E773 PolarHBondContact N-O 3.06Å; K692-E773 PolarHBondContact O-N 3.04Å
774	I	42.1	Very low	31	Very low	63 Å²	63	102.2 Å²	102.2	32%	0.323	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116	-178.9	-62	169.5	0	0	0	109.3	M690 F767	M690-I774 WeakPolarHBondContact O-CA 3.22Å; F767-I774 HydrophobicContact CD2-CD1 4.19Å; F767-I774 HydrophobicContact CE2-CD1 4.47Å
775	I	42.8	Very low	31	Very low	73 Å²	73	101.7 Å²	101.7	37%	0.374	50%	0.501	S	S	.	.			trans	-93.3	-46.4	-169.4	-69.8	179.4	0	0	0	112.4	I689 M690 K692	I689-I775 HydrophobicContact CG2-CB 4.28Å; I689-I775 HydrophobicContact CG2-CD1 3.92Å; M690-I775 PolarHBondContact O-N 3.32Å; M690-I775 VanDerWaalsContact O-N 3.16Å; K692-I775 HydrophobicContact CB-CD1 3.54Å; K692-I775 HydrophobicContact CB-CG1 4.46Å; K692-I775 HydrophobicContact CD-CD1 3.93Å; K692-I775 HydrophobicContact CG-CD1 4.36Å
776	N	35.5	Very low	30.9	Very low	66 Å²	66	101.6 Å²	101.6	35%	0.353	51%	0.51	S	S	.	.	S	Bend	trans	-105.8	145	-174	-78	-65.4	0	0	0	113.1	I688 I689 T778	I688-N776 HydrophobicContact CG2-CB 3.84Å; I689-N776 WeakPolarHBondContact O-CB 3.45Å; I689-N776 PolarHBondContact O-ND2 3.25Å; N776-T778 PolarHBondContact O-N 2.98Å
777	N	31.3	Very low	30.9	Very low	123 Å²	123	98.2 Å²	98.2	66%	0.658	50%	0.498	S	S	*	.			trans	-75.7	41.1	176	-64.5	-50.5	0	0	0	112.7	N762 D779	N762-N777 VanDerWaalsContact ND2-CG 3.27Å; N762-N777 PolarHBondContact ND2-ND2 2.85Å; N762-N777 PolarHBondContact ND2-OD1 2.84Å; N777-D779 PolarHBondContact O-N 2.9Å
778	T	27.8	Very low	30.9	Very low	47 Å²	47	101.7 Å²	101.7	29%	0.288	52%	0.52	S	S	.	.			trans	-75.1	116.8	169.9	44.1	0	0	0	0	109	I688 N776 I780	I688-T778 HydrophobicContact CD1-CG2 4.35Å; I688-T778 HydrophobicContact CG2-CG2 4.16Å; N776-T778 PolarHBondContact O-N 2.98Å; T778-I780 PolarHBondContact O-N 3.31Å
779	D	27.1	Very low	30.9	Very low	125 Å²	125	104.7 Å²	104.7	67%	0.668	52%	0.517	S	S	*	.			trans	-64.8	93.7	179.6	-68.7	-49.2	0	0	0	111.5	N777 Y781	N777-D779 PolarHBondContact O-N 2.9Å; D779-Y781 VanDerWaalsContact C-N 3.29Å; D779-Y781 HydrophobicContact CB-CD2 4.02Å; D779-Y781 HydrophobicContact CB-CE2 3.61Å; D779-Y781 VanDerWaalsContact O-CD2 3.26Å; D779-Y781 WeakPolarHBondContact O-CD2 3.45Å; D779-Y781 PolarHBondContact O-N 2.82Å
780	I	27.7	Very low	30.7	Very low	97 Å²	97	101.5 Å²	101.5	50%	0.497	52%	0.522	S	S	.	.			trans	-74.5	85.9	173.1	-52.4	-178	0	0	0	108.2	T778 C782	T778-I780 PolarHBondContact O-N 3.31Å; I780-C782 PolarHBondContact O-N 3.41Å
781	Y	25.6	Very low	30.5	Very low	187 Å²	187	105 Å²	105	73%	0.733	54%	0.543	S	S	*	.			trans	-65.9	75.8	176	-72.1	-77.8	0	0	0	112.4	D779 I783	D779-Y781 VanDerWaalsContact C-N 3.29Å; D779-Y781 HydrophobicContact CB-CD2 4.02Å; D779-Y781 HydrophobicContact CB-CE2 3.61Å; D779-Y781 VanDerWaalsContact O-CD2 3.26Å; D779-Y781 WeakPolarHBondContact O-CD2 3.45Å; D779-Y781 PolarHBondContact O-N 2.82Å; Y781-I783 PolarHBondContact O-N 2.85Å
782	C	25.9	Very low	29.9	Very low	54 Å²	54	107.4 Å²	107.4	37%	0.365	56%	0.559	S	S	.	*			trans	-71.7	92.7	167.4	-64.1	0	0	0	0	110.1	I780 Y784	I780-C782 PolarHBondContact O-N 3.41Å; C782-Y784 HydrophobicContact CB-CD2 3.65Å; C782-Y784 HydrophobicContact CB-CE2 3.24Å; C782-Y784 HydrophobicContact CB-CG 4.46Å; C782-Y784 WeakPolarHBondContact O-CD2 3.2Å; C782-Y784 PolarHBondContact O-N 3.06Å
783	I	23.7	Very low	29	Very low	156 Å²	156	109.7 Å²	109.7	80%	0.8	57%	0.569	S	S	*	*			trans	-73.4	80.7	171.6	-54.8	178.2	0	0	0	108.7	Y781 T785	Y781-I783 PolarHBondContact O-N 2.85Å; I783-T785 PolarHBondContact O-N 3.3Å
784	Y	25.3	Very low	28.6	Very low	150 Å²	150	109.1 Å²	109.1	59%	0.588	57%	0.574	S	S	*	*			trans	-75.3	106.6	175.6	-70.9	-69.1	0	0	0	111	C782 A786	C782-Y784 HydrophobicContact CB-CD2 3.65Å; C782-Y784 HydrophobicContact CB-CE2 3.24Å; C782-Y784 HydrophobicContact CB-CG 4.46Å; C782-Y784 WeakPolarHBondContact O-CD2 3.2Å; C782-Y784 PolarHBondContact O-N 3.06Å; Y784-A786 PolarHBondContact O-N 3.31Å
785	T	24.3	Very low	27.9	Very low	120 Å²	120	108 Å²	108	74%	0.736	58%	0.578	S	S	*	*			trans	-73.9	91	165.2	41.2	0	0	0	0	109.8	I783 K787	I783-T785 PolarHBondContact O-N 3.3Å; T785-K787 PolarHBondContact O-N 3.11Å; T785-K787 VanDerWaalsContact O-N 3.09Å
786	A	24.9	Very low	27.2	Very low	86 Å²	86	113.6 Å²	113.6	71%	0.711	60%	0.6	S	S	*	*			trans	-62.1	111.4	-176.9	0	0	0	0	0	112.6	Y784 N788	Y784-A786 PolarHBondContact O-N 3.31Å; A786-N788 PolarHBondContact O-N 2.75Å
787	K	24.5	Very low	26.8	Very low	89 Å²	89	115 Å²	115	39%	0.387	61%	0.611	S	S	.	*			trans	-68.5	113.1	159.4	-90	-179.9	178.6	171.4	0	108.7	D648 T785 Y789	D648-K787 WeakPolarHBondContact OD1-CE 3.05Å; D648-K787 IonicContact OD1-NZ 2.9Å; D648-K787 PolarHBondContact OD1-NZ 3.16Å; T785-K787 PolarHBondContact O-N 3.11Å; T785-K787 VanDerWaalsContact O-N 3.09Å; K787-Y789 PolarHBondContact O-N 3.32Å; K787-Y789 VanDerWaalsContact O-N 3.12Å
788	N	27.7	Very low	26.5	Very low	139 Å²	139	116.2 Å²	116.2	74%	0.743	62%	0.617	S	S	*	*			trans	-65.5	110.2	170	-87.9	-13.3	0	0	0	110.4	A786 S790	A786-N788 PolarHBondContact O-N 2.75Å; N788-S790 PolarHBondContact O-N 3.49Å
789	Y	25.7	Very low	26.4	Very low	201 Å²	201	120.9 Å²	120.9	79%	0.788	65%	0.646	S	S	*	*			trans	-72.3	99.8	158	-90.1	-93	0	0	0	108.7	K787	K787-Y789 PolarHBondContact O-N 3.32Å; K787-Y789 VanDerWaalsContact O-N 3.12Å
790	S	25.8	Very low	26.3	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	65%	0.654	S	S	*	*			trans	-112.4	83.2	173.6	62.1	0	0	0	0	111.7	N788	N788-S790 PolarHBondContact O-N 3.49Å
791	L	27.4	Very low	26.3	Very low	146 Å²	146	123.6 Å²	123.6	76%	0.764	67%	0.67	S	S	*	*			trans	-65.8	147.7	141.7	-87	149.5	0	0	0	107.3
792	P	26.8	Very low	26.2	Very low	79 Å²	79	120.7 Å²	120.7	51%	0.513	67%	0.671	S	S	.	*				-143	159.3	52.2	31.6	-9.8	0	0	0	117.5	V794	P792-V794 HydrophobicContact CB-CG2 4.4Å; P792-V794 HydrophobicContact CG-CG2 3.89Å; P792-V794 PolarHBondContact O-N 3.29Å
793	E	27.3	Very low	26.1	Very low	62 Å²	62	122 Å²	122	29%	0.29	68%	0.678	S	S	.	*			trans	-72.9	102.5	158.7	-69.7	172	73	0	0	110.4	R198	R198-E793 IonicContact CZ-OE1 3.63Å; R198-E793 IonicContact CZ-OE2 2.65Å; R198-E793 VanDerWaalsContact CZ-OE2 3.29Å; R198-E793 VanDerWaalsContact NH1-CB 3.28Å; R198-E793 IonicContact NH1-OE1 2.66Å; R198-E793 PolarHBondContact NH1-OE1 2.8Å; R198-E793 IonicContact NH1-OE2 2.68Å; R198-E793 IonicContact NH2-OE1 2.61Å; R198-E793 PolarHBondContact NH2-OE1 3.34Å; R198-E793 IonicContact NH2-OE2 3.66Å; R198-E793 PolarHBondContact NH2-OE2 2.87Å
794	V	30.4	Very low	26.2	Very low	120 Å²	120	118.5 Å²	118.5	73%	0.727	66%	0.661	S	S	*	*			trans	-95.6	108.7	174.8	-178.4	0	0	0	0	110.7	P792	P792-V794 HydrophobicContact CB-CG2 4.4Å; P792-V794 HydrophobicContact CG-CG2 3.89Å; P792-V794 PolarHBondContact O-N 3.29Å
795	G	28.1	Very low	26.1	Very low	39 Å²	39	113.6 Å²	113.6	40%	0.402	65%	0.648	S	S	.	*			trans	-103.4	118.3	166.6	0	0	0	0	0	111.7
796	K	29.1	Very low	26	Very low	192 Å²	192	110.5 Å²	110.5	84%	0.835	63%	0.63	S	S	*	*			trans	39.5	119.6	145.1	-66	176.3	-176.3	174.7	0	117.4
797	T	26.4	Very low	26	Very low	95 Å²	95	113.4 Å²	113.4	58%	0.583	62%	0.624	S	S	*	*			cis	-162.5	158.9	22.1	41.1	0	0	0	0	113
798	D	25.1	Very low	26	Very low	148 Å²	148	118.3 Å²	118.3	79%	0.791	64%	0.642	S	S	*	*			trans	49.6	102.5	146.2	-54.7	-6.8	0	0	0	122.8
799	V	26.2	Very low	25.8	Very low	146 Å²	146	117.2 Å²	117.2	89%	0.885	64%	0.636	S	S	*	*			trans	-149.3	147.8	134.6	174.5	0	0	0	0	109.4
800	N	24.9	Very low	25.8	Very low	155 Å²	155	112.1 Å²	112.1	83%	0.829	64%	0.635	S	S	*	*			trans	-81.3	119.4	179.6	-65	-66.3	0	0	0	114.4
801	C	26.2	Very low	25.7	Very low	124 Å²	124	111.8 Å²	111.8	84%	0.838	62%	0.624	S	S	*	*			trans	-154	102.1	152.2	-95.4	0	0	0	0	107.5
802	V	23.9	Very low	25.7	Very low	126 Å²	126	111.2 Å²	111.2	76%	0.764	63%	0.63	S	S	*	*				73.1	94.3	82	177.5	0	0	0	0	113.5
803	T	23.4	Very low	25.6	Very low	82 Å²	82	111 Å²	111	50%	0.503	64%	0.635	S	S	.	*	S	Bend	trans	54.4	94.9	154.9	55.5	0	0	0	0	120.8	I828	T803-I828 WeakPolarHBondContact O-CG1 3.26Å
804	N	26.1	Very low	25.4	Very low	82 Å²	82	116.4 Å²	116.4	44%	0.439	66%	0.661	S	S	.	*			trans	56.1	-164.9	154.5	-46.4	-75.4	0	0	0	116.8	I828 T829 T830	N804-I828 HydrophobicContact CB-CB 4.26Å; N804-I828 HydrophobicContact CB-CG2 3.76Å; N804-I828 VanDerWaalsContact ND2-CG2 3.27Å; N804-I828 WeakPolarHBondContact ND2-CG2 3.39Å; N804-T829 VanDerWaalsContact CB-N 3.29Å; N804-T829 WeakPolarHBondContact CB-OG1 3.3Å; N804-T829 PolarHBondContact OD1-OG1 2.91Å; N804-T829 VanDerWaalsContact OD1-OG1 3.12Å; N804-T830 PolarHBondContact ND2-OG1 3.48Å
805	S	23.2	Very low	25.2	Very low	46 Å²	46	117.1 Å²	117.1	32%	0.322	67%	0.665	S	S	.	*			trans	107.1	162	156.5	82.4	0	0	0	0	120.2	F827	S805-F827 WeakPolarHBondContact CA-O 3.39Å
806	C	23.5	Very low	25.1	Very low	55 Å²	55	119.6 Å²	119.6	37%	0.372	67%	0.672	S	S	.	*			trans	52.6	109.8	168.6	-70.5	0	0	0	0	116.7	F827	C806-F827 PolarHBondContact SG-N 2.75Å; C806-F827 VanDerWaalsContact SG-N 3.45Å
807	Y	23.4	Very low	25.1	Very low	148 Å²	148	117 Å²	117	58%	0.58	67%	0.667	S	S	*	*				55.3	133.5	54.3	-56.9	-113.7	0	0	0	110.4	F827	Y807-F827 HydrophobicContact CD2-CB 3.95Å; Y807-F827 HydrophobicContact CE2-CB 3.94Å; Y807-F827 HydrophobicContact CG-CB 4.47Å
808	Y	25.5	Very low	25	Very low	191 Å²	191	118.7 Å²	118.7	75%	0.749	68%	0.68	S	S	*	*			cis	-129.9	129.9	47	-74.7	-99.4	0	0	0	115.2
809	N	23.2	Very low	25.1	Very low	117 Å²	117	114.7 Å²	114.7	63%	0.626	67%	0.674	S	S	*	*			trans	-82.4	114.8	141.8	-75	-30.6	0	0	0	106.8	I811	N809-I811 PolarHBondContact O-N 2.73Å
810	A	26.4	Very low	25.2	Very low	93 Å²	93	115.5 Å²	115.5	77%	0.769	67%	0.674	S	S	*	*			trans	-76	93.8	-178.6	0	0	0	0	0	111.3
811	I	24	Very low	25.1	Very low	101 Å²	101	113.2 Å²	113.2	52%	0.518	67%	0.666	S	S	.	*			trans	-86	109.3	166.9	-61.1	167.3	0	0	0	107.6	N809 A813 C850	N809-I811 PolarHBondContact O-N 2.73Å; I811-A813 PolarHBondContact O-N 2.98Å; I811-A813 VanDerWaalsContact O-N 3.13Å; I811-C850 HydrophobicContact CD1-CB 4.01Å; I811-C850 HydrophobicContact CG1-CB 4.45Å; I811-C850 HydrophobicContact CG2-CB 4.35Å
812	C	26.6	Very low	24.9	Very low	134 Å²	134	118.2 Å²	118.2	91%	0.905	67%	0.668	S	S	*	*			trans	-79.4	89	170.2	-69.5	0	0	0	0	110.2
813	A	25	Very low	24.9	Very low	75 Å²	75	116.7 Å²	116.7	62%	0.62	66%	0.664	S	S	*	*			trans	-96.8	140.8	163.4	0	0	0	0	0	109.7	I811	I811-A813 PolarHBondContact O-N 2.98Å; I811-A813 VanDerWaalsContact O-N 3.13Å
814	E	22.8	Very low	24.8	Very low	176 Å²	176	120.4 Å²	120.4	82%	0.822	68%	0.677	S	S	*	*			trans	-67.9	136.4	173.4	-68.4	-178.4	97.6	0	0	111.2
815	V	26.8	Very low	24.6	Very low	134 Å²	134	124.7 Å²	124.7	81%	0.812	69%	0.692	S	S	*	*			trans	-130.3	103.3	164.1	-179	0	0	0	0	108.4	N817	V815-N817 PolarHBondContact O-N 2.69Å
816	T	25.8	Very low	24.5	Very low	91 Å²	91	126.3 Å²	126.3	56%	0.558	70%	0.697	S	S	*	*			trans	-87	87.7	-177.1	54.4	0	0	0	0	111.5
817	N	27.9	Very low	24.4	Very low	137 Å²	137	128.8 Å²	128.8	73%	0.733	70%	0.702	S	S	*	*			trans	-171.6	123.9	148.9	-101.1	-22.1	0	0	0	112.2	V815	V815-N817 PolarHBondContact O-N 2.69Å
818	P	25.7	Very low	24.3	Very low	131 Å²	131	124.4 Å²	124.4	85%	0.851	69%	0.688	S	S	*	*			trans	-85.6	120	165.7	32.8	-28.8	0	0	0	110.1
819	G	27.2	Very low	24.3	Very low	65 Å²	65	118.1 Å²	118.1	67%	0.67	67%	0.669	S	S	*	*			trans	-167.4	-74	-178.3	0	0	0	0	0	114.8
820	D	26.8	Very low	24.2	Very low	162 Å²	162	116.8 Å²	116.8	87%	0.866	67%	0.666	S	S	*	*			trans	-95.5	153.5	-160.2	-61.6	-58.6	0	0	0	115.3
821	T	23.9	Very low	24.1	Very low	108 Å²	108	123.5 Å²	123.5	66%	0.663	67%	0.671	S	S	*	*			trans	-117.6	143.5	-165.7	57.9	0	0	0	0	114
822	Y	22.6	Very low	24.1	Very low	228 Å²	228	127.4 Å²	127.4	89%	0.894	68%	0.68	S	S	*	*			trans	67.3	156.3	178.9	-49.6	-83.8	0	0	0	113.6
823	S	22.5	Very low	24	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	67%	0.666	S	S	*	*			cis	-145.3	174.7	11.5	56.8	0	0	0	0	113.3
824	M	22.6	Very low	24	Very low	160 Å²	160	129.7 Å²	129.7	79%	0.788	67%	0.667	S	S	*	*			trans	-68	136.6	176.9	165.9	-173.3	173.4	0	0	113
825	F	21.4	Very low	24.1	Very low	172 Å²	172	125.7 Å²	125.7	75%	0.754	66%	0.659	S	S	*	*			trans	-150	141	166.8	-98.2	-70.2	0	0	0	115.9
826	D	20.6	Very low	24.1	Very low	79 Å²	79	123.2 Å²	123.2	42%	0.422	65%	0.652	S	S	.	*			trans	-91.9	129.6	178.7	-71.1	-52	0	0	0	112.6	I828	D826-I828 HydrophobicContact CB-CG1 4.24Å; D826-I828 PolarHBondContact O-N 2.8Å
827	F	22.5	Very low	24.2	Very low	108 Å²	108	129 Å²	129	47%	0.474	67%	0.665	S	S	.	*			trans	-87.9	74.3	-179.9	-126.3	-74.8	0	0	0	114.4	S805 C806 Y807 T829	S805-F827 WeakPolarHBondContact CA-O 3.39Å; C806-F827 PolarHBondContact SG-N 2.75Å; C806-F827 VanDerWaalsContact SG-N 3.45Å; Y807-F827 HydrophobicContact CD2-CB 3.95Å; Y807-F827 HydrophobicContact CE2-CB 3.94Å; Y807-F827 HydrophobicContact CG-CB 4.47Å; F827-T829 PolarHBondContact O-N 2.96Å
828	I	21.5	Very low	24.1	Very low	56 Å²	56	126.7 Å²	126.7	29%	0.287	65%	0.652	S	S	.	*			trans	-61.2	120.4	-175.7	-65.3	178.4	0	0	0	112.1	T803 N804 D826 T830	T803-I828 WeakPolarHBondContact O-CG1 3.26Å; N804-I828 HydrophobicContact CB-CB 4.26Å; N804-I828 HydrophobicContact CB-CG2 3.76Å; N804-I828 VanDerWaalsContact ND2-CG2 3.27Å; N804-I828 WeakPolarHBondContact ND2-CG2 3.39Å; D826-I828 HydrophobicContact CB-CG1 4.24Å; D826-I828 PolarHBondContact O-N 2.8Å; I828-T830 WeakPolarHBondContact CG2-O 3.29Å; I828-T830 PolarHBondContact O-N 3.39Å
829	T	24.1	Very low	24.1	Very low	59 Å²	59	127 Å²	127	36%	0.362	65%	0.646	S	S	.	*	S	Bend	trans	-73	44.8	175.3	55.1	0	0	0	0	114.4	N804 F827 I856	N804-T829 VanDerWaalsContact CB-N 3.29Å; N804-T829 WeakPolarHBondContact CB-OG1 3.3Å; N804-T829 PolarHBondContact OD1-OG1 2.91Å; N804-T829 VanDerWaalsContact OD1-OG1 3.12Å; F827-T829 PolarHBondContact O-N 2.96Å; T829-I856 HydrophobicContact CG2-CD1 3.96Å
830	T	22.1	Very low	24.2	Very low	89 Å²	89	131 Å²	131	55%	0.546	65%	0.648	S	S	.	*	S	Bend	trans	-178.9	142.6	154.6	13.7	0	0	0	0	111.8	N804 I828	N804-T830 PolarHBondContact ND2-OG1 3.48Å; I828-T830 WeakPolarHBondContact CG2-O 3.29Å; I828-T830 PolarHBondContact O-N 3.39Å
831	R	23.6	Very low	24.4	Very low	233 Å²	233	130 Å²	130	88%	0.879	64%	0.638	S	S	*	*	S	Bend	trans	82.3	-4.2	153	-78.4	-174	173.5	179.3	-1.5	123.4
832	Y	24.3	Very low	24.5	Very low	183 Å²	183	131.5 Å²	131.5	72%	0.718	64%	0.642	S	S	*	*			trans	-131.6	122.3	171	-76.7	-82.4	0	0	0	112.7
833	F	24.4	Very low	24.8	Very low	139 Å²	139	126.1 Å²	126.1	61%	0.61	63%	0.633	S	S	*	*			trans	-128.1	26.6	178.2	-131.2	-80.7	0	0	0	111.4	D1034	F833-D1034 VanDerWaalsContact CB-OD2 3.22Å; F833-D1034 WeakPolarHBondContact CB-OD2 3.26Å
834	D	24.5	Very low	25	Very low	119 Å²	119	126.7 Å²	126.7	64%	0.636	63%	0.632	S	S	*	*			trans	-77.7	133.9	-166	-87.4	-56.1	0	0	0	115.5	A836	D834-A836 PolarHBondContact O-N 2.98Å
835	S	26.4	Very low	25.3	Very low	92 Å²	92	125.7 Å²	125.7	64%	0.643	63%	0.63	S	S	*	*	S	Bend	trans	68.1	-48.9	156.6	73.1	0	0	0	0	120.6	Y837	S835-Y837 PolarHBondContact O-N 2.84Å
836	A	26.6	Very low	25.5	Very low	81 Å²	81	120 Å²	120	67%	0.669	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-36.3	-157.8	0	0	0	0	0	115.9	D834 L838	D834-A836 PolarHBondContact O-N 2.98Å; A836-L838 PolarHBondContact O-N 3.32Å
837	Y	27	Very low	26	Very low	213 Å²	213	124.3 Å²	124.3	84%	0.835	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	10.2	-168.9	-99.8	-86.7	0	0	0	115.9	S835	S835-Y837 PolarHBondContact O-N 2.84Å
838	L	26.5	Very low	26.4	Very low	88 Å²	88	123.3 Å²	123.3	46%	0.461	62%	0.621	S	S	.	*	S	Bend	trans	-82.9	-33	-169	-82.8	158	0	0	0	115.2	A836 R962	A836-L838 PolarHBondContact O-N 3.32Å; L838-R962 PolarHBondContact O-NH2 3.4Å; L838-R962 VanDerWaalsContact O-NH2 3.14Å
839	N	25.8	Very low	27	Very low	137 Å²	137	122.9 Å²	122.9	73%	0.733	62%	0.619	S	S	*	*			trans	-114.2	-5	-151.4	-76.2	-7.1	0	0	0	119.2	E841	N839-E841 PolarHBondContact O-N 2.83Å
840	H	28.9	Very low	27.4	Very low	150 Å²	150	122.6 Å²	122.6	69%	0.694	62%	0.619	S	S	*	*			trans	-77.9	112.8	179.6	-80.2	-82.3	0	0	0	112.6
841	E	30.4	Very low	27.9	Very low	142 Å²	142	118.8 Å²	118.8	66%	0.664	60%	0.595	S	S	*	*			trans	-96.5	7.6	-177.4	-58.2	-165.4	139.4	0	0	114.4	N839 R1030	N839-E841 PolarHBondContact O-N 2.83Å; E841-R1030 IonicContact OE1-CZ 3.8Å; E841-R1030 IonicContact OE1-NH2 3.96Å; E841-R1030 PolarHBondContact OE1-NH2 3.11Å
842	N	26.8	Very low	28.3	Very low	139 Å²	139	109.4 Å²	109.4	74%	0.743	57%	0.571	S	S	*	*			trans	-117.3	12.2	-164	-81.7	-14.7	0	0	0	116.9
843	T	28.6	Very low	28.6	Very low	114 Å²	114	101.2 Å²	101.2	70%	0.699	54%	0.539	S	S	*	.			trans	-78.6	133.6	-178.4	42.4	0	0	0	0	113.7
844	T	26.7	Very low	28.8	Very low	108 Å²	108	98 Å²	98	66%	0.663	53%	0.531	S	S	*	.			trans	-85.8	179.3	177.5	36.6	0	0	0	0	112.7
845	L	27.8	Very low	28.8	Very low	139 Å²	139	95.1 Å²	95.1	73%	0.728	52%	0.516	S	S	*	.			trans	-37.2	134	-163.8	-87	71	0	0	0	117.1	K847	L845-K847 PolarHBondContact O-N 3.43Å
846	L	26.8	Very low	28.9	Very low	51 Å²	51	95 Å²	95	27%	0.267	51%	0.507	S	S	.	.			trans	-60.8	120.1	167.8	-81.7	165.6	0	0	0	112.7	I849 A959 C961	L846-I849 HydrophobicContact CD2-CD1 3.54Å; L846-I849 HydrophobicContact CD2-CG1 3.86Å; L846-A959 HydrophobicContact CD1-CB 4.21Å; L846-A959 VanDerWaalsContact CD1-O 3.24Å; L846-A959 WeakPolarHBondContact CD1-O 3.13Å; L846-C961 HydrophobicContact CD1-CB 4.44Å
847	K	30.9	Very low	28.9	Very low	171 Å²	171	94.9 Å²	94.9	74%	0.743	50%	0.501	S	S	*	.			trans	-125.4	127.4	149.1	-74.1	-179.2	178.3	173.8	0	109.2	L845	L845-K847 PolarHBondContact O-N 3.43Å
848	D	31.6	Very low	28.8	Very low	87 Å²	87	88.8 Å²	88.8	47%	0.465	48%	0.482	S	S	.	.			trans	49.6	69.7	160.9	-59.4	-1.6	0	0	0	118.4	C850 I876 T877	D848-C850 PolarHBondContact O-N 3Å; D848-I876 WeakPolarHBondContact CA-O 3.39Å; D848-I876 PolarHBondContact N-O 3.5Å; D848-T877 WeakPolarHBondContact OD1-CB 3.37Å; D848-T877 WeakPolarHBondContact OD1-CG2 3.43Å
849	I	32.4	Very low	28.8	Very low	47 Å²	47	89.4 Å²	89.4	24%	0.241	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	114.1	162.7	-64.3	176.7	0	0	0	109.4	L846 I851 T875 I876 C961	L846-I849 HydrophobicContact CD2-CD1 3.54Å; L846-I849 HydrophobicContact CD2-CG1 3.86Å; I849-I851 HydrophobicContact CG2-CD1 4.41Å; I849-I851 HydrophobicContact CG2-CG1 3.97Å; I849-T875 VanDerWaalsContact O-CA 3.29Å; I849-T875 WeakPolarHBondContact O-CA 3.39Å; I849-I876 HydrophobicContact CB-CB 4.44Å; I849-I876 HydrophobicContact CB-CD1 4.38Å; I849-I876 HydrophobicContact CD1-CD1 4.5Å; I849-I876 PolarHBondContact O-N 3.37Å; I849-I876 VanDerWaalsContact O-N 3.09Å; I849-C961 HydrophobicContact CD1-CB 3.83Å
850	C	33	Very low	28.8	Very low	52 Å²	52	90.6 Å²	90.6	35%	0.351	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.8	171.7	-66.6	0	0	0	0	111.9	I811 D848 L874	I811-C850 HydrophobicContact CD1-CB 4.01Å; I811-C850 HydrophobicContact CG1-CB 4.45Å; I811-C850 HydrophobicContact CG2-CB 4.35Å; D848-C850 PolarHBondContact O-N 3Å; C850-L874 CarbonylContact C-O 3.56Å; C850-L874 WeakPolarHBondContact CA-O 3.27Å
851	I	33.5	Very low	28.7	Very low	9 Å²	9	92.4 Å²	92.4	5%	0.046	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	111.5	177.9	-40.3	176.3	0	0	0	109.6	I849 F873 L874 I963	I849-I851 HydrophobicContact CG2-CD1 4.41Å; I849-I851 HydrophobicContact CG2-CG1 3.97Å; I851-F873 CarbonylContact O-C 3.32Å; I851-F873 VanDerWaalsContact O-CA 3.23Å; I851-F873 WeakPolarHBondContact O-CA 3.31Å; I851-L874 HydrophobicContact CB-CB 4.17Å; I851-L874 HydrophobicContact CD1-CB 4.36Å; I851-L874 HydrophobicContact CD1-CD1 4.43Å; I851-L874 HydrophobicContact CG1-CB 4.38Å; I851-L874 PolarHBondContact N-O 2.92Å; I851-L874 PolarHBondContact O-N 3.12Å; I851-I963 HydrophobicContact CB-CD1 4.36Å; I851-I963 HydrophobicContact CD1-CD1 3.62Å; I851-I963 HydrophobicContact CD1-CG1 3.8Å; I851-I963 HydrophobicContact CG1-CD1 3.74Å; I851-I963 HydrophobicContact CG1-CG1 4.45Å; I851-I963 HydrophobicContact CG2-CD1 3.8Å
852	G	30.6	Very low	28.5	Very low	36 Å²	36	92.9 Å²	92.9	37%	0.371	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.7	171.4	0	0	0	0	0	111.8
853	L	30.7	Very low	28.5	Very low	11 Å²	11	91.6 Å²	91.6	6%	0.058	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	90.3	-177.5	-70.4	158.4	0	0	0	111.8	I872 L874 I966 I972	L853-I872 WeakPolarHBondContact CB-O 3.39Å; L853-I872 PolarHBondContact N-O 3.31Å; L853-L874 HydrophobicContact CD1-CD1 4.18Å; L853-L874 HydrophobicContact CD1-CG 4.39Å; L853-I966 HydrophobicContact CD2-CD1 3.72Å; L853-I966 HydrophobicContact CD2-CG1 3.94Å; L853-I966 HydrophobicContact CD2-CG2 3.79Å; L853-I972 HydrophobicContact CD1-CD1 3.61Å; L853-I972 HydrophobicContact CD1-CG1 3.66Å; L853-I972 HydrophobicContact CD2-CG1 3.88Å; L853-I972 HydrophobicContact CG-CG1 4.43Å
854	T	28.8	Very low	28.5	Very low	71 Å²	71	93.4 Å²	93.4	44%	0.436	49%	0.488	S	S	.	.			trans	-96.9	103.4	171.4	50.8	0	0	0	0	110.8	I856 Q871	T854-I856 VanDerWaalsContact C-N 3.33Å; T854-I856 PolarHBondContact O-N 3.41Å; T854-Q871 HydrophobicContact CG2-CG 4.49Å
855	N	25.8	Very low	28.5	Very low	59 Å²	59	95.6 Å²	95.6	32%	0.316	49%	0.489	S	S	.	.			trans	-78.7	83.6	172.8	-167.5	-14.6	0	0	0	111	S857 S968	N855-S857 PolarHBondContact O-N 3.34Å; N855-S857 PolarHBondContact OD1-N 3.01Å; N855-S857 PolarHBondContact OD1-OG 3.27Å; N855-S968 PolarHBondContact ND2-O 3.21Å
856	I	26.9	Very low	28.4	Very low	90 Å²	90	94 Å²	94	46%	0.462	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-65	-18	-175.6	-68	166.3	0	0	0	112.7	T829 T854 I858 L859	T829-I856 HydrophobicContact CG2-CD1 3.96Å; T854-I856 VanDerWaalsContact C-N 3.33Å; T854-I856 PolarHBondContact O-N 3.41Å; I856-I858 VanDerWaalsContact C-N 3.29Å; I856-I858 PolarHBondContact O-N 2.82Å; I856-I858 VanDerWaalsContact O-N 3.11Å; I856-L859 PolarHBondContact O-N 3.45Å
857	S	26.5	Very low	28.4	Very low	79 Å²	79	97 Å²	97	55%	0.552	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-70.4	-9.8	-167.1	70.5	0	0	0	0	117	N855	N855-S857 PolarHBondContact O-N 3.34Å; N855-S857 PolarHBondContact OD1-N 3.01Å; N855-S857 PolarHBondContact OD1-OG 3.27Å
858	I	26.2	Very low	28.2	Very low	85 Å²	85	93.6 Å²	93.6	44%	0.436	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-114.3	-13.7	-175.2	-61.5	178.4	0	0	0	112.9	I856 N860 K861 H862 F863	I856-I858 VanDerWaalsContact C-N 3.29Å; I856-I858 PolarHBondContact O-N 2.82Å; I856-I858 VanDerWaalsContact O-N 3.11Å; I858-N860 PolarHBondContact O-N 2.99Å; I858-K861 PolarHBondContact O-N 3.38Å; I858-H862 HydrophobicContact CG2-CB 3.99Å; I858-F863 HydrophobicContact CG2-CE2 4.44Å
859	L	25.8	Very low	28	Very low	101 Å²	101	92.6 Å²	92.6	53%	0.529	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22	-169.1	-90.2	161.2	0	0	0	115.4	I856 F863	I856-L859 PolarHBondContact O-N 3.45Å; L859-F863 HydrophobicContact CD2-CD2 4.03Å; L859-F863 HydrophobicContact CD2-CE2 3.8Å; L859-F863 HydrophobicContact CD2-CZ 4.39Å; L859-F863 HydrophobicContact CG-CE2 4.11Å
860	N	26.5	Very low	28	Very low	162 Å²	162	93.2 Å²	93.2	87%	0.866	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.6	-175.1	-78	-17.5	0	0	0	116.3	I858	I858-N860 PolarHBondContact O-N 2.99Å
861	K	26.9	Very low	28.3	Very low	188 Å²	188	93 Å²	93	82%	0.817	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	-6.3	-175.4	-73.8	-164.7	177.1	-179.2	0	119.4	I858	I858-K861 PolarHBondContact O-N 3.38Å
862	H	25.8	Very low	28.5	Very low	152 Å²	152	92.8 Å²	92.8	70%	0.704	48%	0.484	S	S	*	.			trans	-135	5.1	-169.2	-77.2	-35.9	0	0	0	118.4	I858 E864	I858-H862 HydrophobicContact CG2-CB 3.99Å; H862-E864 VanDerWaalsContact C-N 3.26Å; H862-E864 PolarHBondContact O-N 3.3Å
863	F	27.2	Very low	29.2	Very low	111 Å²	111	93.3 Å²	93.3	49%	0.487	48%	0.476	S	S	.	.			trans	-81.5	39	-174.1	-90.9	-84.7	0	0	0	116.1	I858 L859	I858-F863 HydrophobicContact CG2-CE2 4.44Å; L859-F863 HydrophobicContact CD2-CD2 4.03Å; L859-F863 HydrophobicContact CD2-CE2 3.8Å; L859-F863 HydrophobicContact CD2-CZ 4.39Å; L859-F863 HydrophobicContact CG-CE2 4.11Å
864	E	28.4	Very low	29.9	Very low	152 Å²	152	92.9 Å²	92.9	71%	0.71	47%	0.474	S	S	*	.	S	Bend	trans	-86.2	-10.7	-179.4	-69.5	-166.3	136	0	0	115.4	H862	H862-E864 VanDerWaalsContact C-N 3.26Å; H862-E864 PolarHBondContact O-N 3.3Å
865	K	27.4	Very low	30.9	Very low	155 Å²	155	90.3 Å²	90.3	67%	0.674	46%	0.458	S	S	*	.	S	Bend	trans	-142.1	-0.1	-162.7	-74.4	-158.7	-175.3	-171.7	0	120.1	E1052	K865-E1052 WeakPolarHBondContact CD-OE1 3.34Å; K865-E1052 IonicContact NZ-OE1 3.79Å; K865-E1052 PolarHBondContact NZ-OE1 2.88Å
866	T	25.1	Very low	32	Very low	105 Å²	105	87.9 Å²	87.9	64%	0.644	45%	0.445	S	S	*	.			trans	-134.5	132.6	-177.7	43	0	0	0	0	113.2
867	P	27.3	Very low	33.1	Very low	115 Å²	115	84 Å²	84	75%	0.747	43%	0.425	S	S	*	.			trans	-81.6	173.7	176.1	36.9	-37.1	0	0	0	112.2
868	M	25.6	Very low	33.8	Very low	99 Å²	99	83.1 Å²	83.1	49%	0.488	42%	0.416	S	S	.	.			trans	67.2	116	178.6	-50.6	-174.1	85.4	0	0	114.9	E870 I894	M868-E870 VanDerWaalsContact C-N 3.34Å; M868-E870 HydrophobicContact CB-CG 4.07Å; M868-E870 PolarHBondContact O-N 2.69Å; M868-E870 VanDerWaalsContact O-N 3.17Å; M868-I894 HydrophobicContact CE-CG1 4.05Å; M868-I894 HydrophobicContact CE-CG2 3.99Å
869	I	28.7	Very low	34.7	Very low	65 Å²	65	81.3 Å²	81.3	33%	0.333	41%	0.408	S	S	.	.			trans	-84.3	80.7	167.3	-57.5	175.4	0	0	0	107.7	Q871 F895 Y897	I869-Q871 HydrophobicContact CG2-CG 4.13Å; I869-Q871 PolarHBondContact O-N 2.76Å; I869-F895 HydrophobicContact CB-CB 4.37Å; I869-F895 HydrophobicContact CB-CD2 3.67Å; I869-F895 HydrophobicContact CB-CE2 4.18Å; I869-F895 HydrophobicContact CB-CG 4.18Å; I869-F895 HydrophobicContact CG2-CD2 4.02Å; I869-F895 HydrophobicContact CG2-CE2 4Å; I869-F895 VanDerWaalsContact O-CD2 3.28Å; I869-F895 WeakPolarHBondContact O-CD2 3.37Å; I869-Y897 HydrophobicContact CD1-CE2 4.37Å; I869-Y897 WeakPolarHBondContact CD1-OH 3.47Å
870	E	31.2	Very low	35.1	Very low	61 Å²	61	81 Å²	81	29%	0.285	41%	0.412	S	S	.	.			trans	-73.5	82.6	177	-56.9	-172.5	144.8	0	0	111	M868 Q892 N989	M868-E870 VanDerWaalsContact C-N 3.34Å; M868-E870 HydrophobicContact CB-CG 4.07Å; M868-E870 PolarHBondContact O-N 2.69Å; M868-E870 VanDerWaalsContact O-N 3.17Å; E870-Q892 HydrophobicContact CB-CG 4.31Å; E870-Q892 VanDerWaalsContact CD-NE2 3.35Å; E870-Q892 HydrophobicContact CG-CG 4.42Å; E870-Q892 PolarHBondContact OE1-NE2 3.42Å; E870-N989 PolarHBondContact OE2-ND2 2.94Å
871	Q	39.3	Very low	35.7	Very low	47 Å²	47	77.7 Å²	77.7	22%	0.22	40%	0.397	C	S	.	.			trans	-75	131.7	164.5	-43.4	171.4	-16.7	0	0	107.8	T854 I869 F873 Q892 T893 F895	T854-Q871 HydrophobicContact CG2-CG 4.49Å; I869-Q871 HydrophobicContact CG2-CG 4.13Å; I869-Q871 PolarHBondContact O-N 2.76Å; Q871-F873 HydrophobicContact CB-CE2 3.96Å; Q871-Q892 CarbonylContact O-C 3.57Å; Q871-Q892 WeakPolarHBondContact O-CA 3.25Å; Q871-T893 WeakPolarHBondContact CA-OG1 3.33Å; Q871-T893 WeakPolarHBondContact CB-OG1 3.42Å; Q871-T893 WeakPolarHBondContact CG-OG1 3.49Å; Q871-T893 PolarHBondContact N-OG1 3.09Å; Q871-T893 PolarHBondContact O-N 3.35Å; Q871-T893 PolarHBondContact O-OG1 3.5Å; Q871-F895 HydrophobicContact CG-CE2 4Å
872	I	38.4	Very low	36.4	Very low	5 Å²	5	72.5 Å²	72.5	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	175.8	-59.7	-178.8	0	0	0	108.8	L853 L874 V890 W891 Y985 F992	L853-I872 WeakPolarHBondContact CB-O 3.39Å; L853-I872 PolarHBondContact N-O 3.31Å; I872-L874 HydrophobicContact CG2-CD2 4.5Å; I872-V890 HydrophobicContact CG2-CG1 3.61Å; I872-W891 CarbonylContact C-O 3.5Å; I872-W891 VanDerWaalsContact CA-O 3.27Å; I872-W891 WeakPolarHBondContact CA-O 3.2Å; I872-Y985 HydrophobicContact CD1-CD2 3.95Å; I872-Y985 HydrophobicContact CD1-CE2 3.5Å; I872-Y985 VanDerWaalsContact CD1-CE2 3.5Å; I872-Y985 HydrophobicContact CG1-CE2 4.09Å; I872-F992 HydrophobicContact CD1-CE2 3.6Å; I872-F992 HydrophobicContact CD1-CZ 3.98Å
873	F	45.3	Very low	37.1	Very low	47 Å²	47	73.4 Å²	73.4	21%	0.206	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.8	169.4	-62.5	-109.9	0	0	0	109.5	I851 Q871 V890 W891 T893 L940	I851-F873 CarbonylContact O-C 3.32Å; I851-F873 VanDerWaalsContact O-CA 3.23Å; I851-F873 WeakPolarHBondContact O-CA 3.31Å; Q871-F873 HydrophobicContact CB-CE2 3.96Å; F873-V890 CarbonylContact O-C 3.57Å; F873-V890 WeakPolarHBondContact O-CA 3.15Å; F873-W891 HydrophobicContact CB-CB 4.15Å; F873-W891 HydrophobicContact CB-CG 4.49Å; F873-W891 PolarHBondContact N-O 3.16Å; F873-W891 PolarHBondContact O-N 2.87Å; F873-T893 HydrophobicContact CD2-CG2 4.26Å; F873-T893 HydrophobicContact CE2-CG2 3.56Å; F873-T893 HydrophobicContact CZ-CG2 4.39Å; F873-L940 HydrophobicContact CD2-CD2 3.78Å; F873-L940 HydrophobicContact CE2-CD2 3.97Å; F873-L940 HydrophobicContact CG-CD2 4.32Å
874	L	44.7	Very low	37.9	Very low	2 Å²	2	74 Å²	74	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.6	169.7	-61	175.6	0	0	0	109.6	C850 I851 L853 I872 L888 K889 V890 I972	C850-L874 CarbonylContact C-O 3.56Å; C850-L874 WeakPolarHBondContact CA-O 3.27Å; I851-L874 HydrophobicContact CB-CB 4.17Å; I851-L874 HydrophobicContact CD1-CB 4.36Å; I851-L874 HydrophobicContact CD1-CD1 4.43Å; I851-L874 HydrophobicContact CG1-CB 4.38Å; I851-L874 PolarHBondContact N-O 2.92Å; I851-L874 PolarHBondContact O-N 3.12Å; L853-L874 HydrophobicContact CD1-CD1 4.18Å; L853-L874 HydrophobicContact CD1-CG 4.39Å; I872-L874 HydrophobicContact CG2-CD2 4.5Å; L874-L888 HydrophobicContact CB-CD1 3.99Å; L874-L888 HydrophobicContact CD1-CD1 4.29Å; L874-L888 HydrophobicContact CD2-CD1 4.14Å; L874-L888 HydrophobicContact CD2-CG 4.33Å; L874-L888 HydrophobicContact CG-CD1 4.38Å; L874-K889 WeakPolarHBondContact CA-O 3.11Å; L874-V890 HydrophobicContact CD2-CB 4.11Å; L874-V890 HydrophobicContact CD2-CG1 3.88Å; L874-V890 HydrophobicContact CD2-CG2 3.71Å; L874-I972 HydrophobicContact CD1-CD1 4.05Å
875	T	49.6	Very low	38.6	Very low	17 Å²	17	66.7 Å²	66.7	10%	0.104	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.8	170.5	58.9	0	0	0	0	109.8	I849 K889 W891	I849-T875 VanDerWaalsContact O-CA 3.29Å; I849-T875 WeakPolarHBondContact O-CA 3.39Å; T875-K889 PolarHBondContact N-O 3.29Å; T875-K889 PolarHBondContact O-N 3.32Å; T875-K889 WeakPolarHBondContact OG1-CB 3.33Å; T875-W891 PolarHBondContact OG1-NE1 2.97Å
876	I	49.4	Very low	39.8	Very low	8 Å²	8	60.9 Å²	60.9	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.5	175.8	-52.1	175	0	0	0	108.5	D848 I849 L886 Y887 L888 C961 L974	D848-I876 WeakPolarHBondContact CA-O 3.39Å; D848-I876 PolarHBondContact N-O 3.5Å; I849-I876 HydrophobicContact CB-CB 4.44Å; I849-I876 HydrophobicContact CB-CD1 4.38Å; I849-I876 HydrophobicContact CD1-CD1 4.5Å; I849-I876 PolarHBondContact O-N 3.37Å; I849-I876 VanDerWaalsContact O-N 3.09Å; I876-L886 HydrophobicContact CG2-CD2 3.91Å; I876-Y887 WeakPolarHBondContact CA-O 3.35Å; I876-L888 HydrophobicContact CG1-CD1 3.93Å; I876-C961 VanDerWaalsContact CD1-SG 3.52Å; I876-L974 HydrophobicContact CD1-CD1 3.98Å
877	T	48.9	Very low	41.2	Very low	7 Å²	7	57.6 Å²	57.6	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.6	-175.9	71.7	0	0	0	0	110.7	D848 Y887 K889	D848-T877 WeakPolarHBondContact OD1-CB 3.37Å; D848-T877 WeakPolarHBondContact OD1-CG2 3.43Å; T877-Y887 PolarHBondContact N-O 2.66Å; T877-Y887 WeakPolarHBondContact O-CB 3.34Å; T877-Y887 PolarHBondContact O-N 3.11Å; T877-K889 HydrophobicContact CG2-CD 3.94Å; T877-K889 HydrophobicContact CG2-CG 4.41Å; T877-K889 WeakPolarHBondContact OG1-CE 3.41Å; T877-K889 PolarHBondContact OG1-NZ 3.05Å
878	T	43.1	Very low	42.6	Very low	61 Å²	61	52.2 Å²	52.2	37%	0.374	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	148	162.6	41.6	0	0	0	0	109.8	G885 L886	T878-G885 WeakPolarHBondContact CA-O 3.47Å; T878-L886 HydrophobicContact CG2-CD2 3.99Å
879	D	44.9	Very low	44	Very low	47 Å²	47	50.5 Å²	50.5	25%	0.251	26%	0.258	S	S	.	.			trans	-86.6	126.8	177.1	-171.9	-32.8	0	0	0	109.9	V881 E882 G885 Y887	D879-V881 PolarHBondContact O-N 2.74Å; D879-V881 WeakPolarHBondContact OD1-CA 3.03Å; D879-V881 WeakPolarHBondContact OD1-CB 3.42Å; D879-V881 PolarHBondContact OD1-N 2.74Å; D879-E882 HydrophobicContact CB-CB 4.1Å; D879-E882 CarbonylContact O-C 3.56Å; D879-E882 VanDerWaalsContact O-C 3.32Å; D879-E882 PolarHBondContact OD1-N 2.99Å; D879-G885 PolarHBondContact N-O 3Å; D879-Y887 HydrophobicContact CB-CD2 3.99Å; D879-Y887 HydrophobicContact CB-CE2 3.55Å
880	P	33.6	Very low	45	Very low	95 Å²	95	47.5 Å²	47.5	62%	0.617	24%	0.242	S	C	*	.	S	Bend	trans	-68.1	-12.5	177.6	29	-35.9	0	0	0	113.8
881	V	39.4	Very low	45.9	Very low	92 Å²	92	48.2 Å²	48.2	56%	0.558	24%	0.242	S	C	*	.	S	Bend	trans	-98.5	-49.7	176	-171	0	0	0	0	110.8	D879 Q883	D879-V881 PolarHBondContact O-N 2.74Å; D879-V881 WeakPolarHBondContact OD1-CA 3.03Å; D879-V881 WeakPolarHBondContact OD1-CB 3.42Å; D879-V881 PolarHBondContact OD1-N 2.74Å; V881-Q883 PolarHBondContact O-N 3.3Å
882	E	40.9	Very low	46.1	Very low	80 Å²	80	46.8 Å²	46.8	37%	0.374	24%	0.236	S	C	.	.	S	Bend	trans	-91.9	83.9	170.6	-73.8	-162	-121.8	0	0	111.1	D879 E884 G885 Y887 R947	D879-E882 HydrophobicContact CB-CB 4.1Å; D879-E882 CarbonylContact O-C 3.56Å; D879-E882 VanDerWaalsContact O-C 3.32Å; D879-E882 PolarHBondContact OD1-N 2.99Å; E882-E884 PolarHBondContact O-N 3.17Å; E882-G885 PolarHBondContact O-N 3.27Å; E882-Y887 PolarHBondContact OE1-OH 2.71Å; E882-R947 IonicContact OE1-CZ 2.86Å; E882-R947 IonicContact OE1-NH1 2.64Å; E882-R947 PolarHBondContact OE1-NH1 2.82Å; E882-R947 IonicContact OE2-CZ 2.66Å; E882-R947 IonicContact OE2-NH1 3.65Å; E882-R947 PolarHBondContact OE2-NH1 3.36Å; E882-R947 IonicContact OE2-NH2 2.71Å; E882-R947 PolarHBondContact OE2-NH2 2.99Å
883	Q	41.2	Very low	46.3	Very low	171 Å²	171	46.7 Å²	46.7	80%	0.799	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-12.3	-179.3	-67.8	-171.5	-6.2	0	0	115.4	V881	V881-Q883 PolarHBondContact O-N 3.3Å
884	E	43.9	Very low	45.9	Very low	122 Å²	122	46 Å²	46	57%	0.57	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-10.9	179	-54.1	-168.4	152.7	0	0	114	E882 Y950 I956	E882-E884 PolarHBondContact O-N 3.17Å; E884-Y950 HydrophobicContact CB-CE1 3.93Å; E884-Y950 WeakPolarHBondContact CB-OH 3.48Å; E884-Y950 VanDerWaalsContact O-CE1 3.27Å; E884-Y950 WeakPolarHBondContact O-CE1 3.44Å; E884-Y950 PolarHBondContact O-OH 3.2Å; E884-I956 HydrophobicContact CB-CD1 4.48Å; E884-I956 HydrophobicContact CG-CD1 4.35Å
885	G	43.1	Very low	45.4	Very low	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.			trans	-92.6	121.5	-168.3	0	0	0	0	0	114.6	T878 D879 E882 Y887	T878-G885 WeakPolarHBondContact CA-O 3.47Å; D879-G885 PolarHBondContact N-O 3Å; E882-G885 PolarHBondContact O-N 3.27Å; G885-Y887 WeakPolarHBondContact O-CD2 3.48Å
886	L	51.7	Low	44.6	Very low	33 Å²	33	50.9 Å²	50.9	17%	0.173	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.1	169.6	-84.6	163.4	0	0	0	111.4	I876 T878 L948 I976	I876-L886 HydrophobicContact CG2-CD2 3.91Å; T878-L886 HydrophobicContact CG2-CD2 3.99Å; L886-L948 HydrophobicContact CB-CB 4.43Å; L886-L948 PolarHBondContact O-N 3.01Å; L886-I976 HydrophobicContact CD1-CD1 4.37Å; L886-I976 HydrophobicContact CD1-CG2 4.29Å
887	Y	55.6	Low	43.8	Very low	36 Å²	36	57.1 Å²	57.1	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.2	-177.1	-65.3	-93.9	0	0	0	111.7	I876 T877 D879 E882 G885 T945 R947	I876-Y887 WeakPolarHBondContact CA-O 3.35Å; T877-Y887 PolarHBondContact N-O 2.66Å; T877-Y887 WeakPolarHBondContact O-CB 3.34Å; T877-Y887 PolarHBondContact O-N 3.11Å; D879-Y887 HydrophobicContact CB-CD2 3.99Å; D879-Y887 HydrophobicContact CB-CE2 3.55Å; E882-Y887 PolarHBondContact OE1-OH 2.71Å; G885-Y887 WeakPolarHBondContact O-CD2 3.48Å; Y887-T945 HydrophobicContact CD1-CG2 4.02Å; Y887-R947 HydrophobicContact CD1-CB 4.12Å; Y887-R947 HydrophobicContact CD1-CG 4.47Å; Y887-R947 HydrophobicContact CE1-CB 3.95Å; Y887-R947 HydrophobicContact CE1-CG 4.08Å; Y887-R947 PolarHBondContact OH-NH1 3.38Å; Y887-R947 VanDerWaalsContact OH-NH1 3.14Å
888	L	57	Low	43	Very low	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	100.9	172.5	179.7	70.5	0	0	0	109.1	L874 I876 T945 L946 L948 L983	L874-L888 HydrophobicContact CB-CD1 3.99Å; L874-L888 HydrophobicContact CD1-CD1 4.29Å; L874-L888 HydrophobicContact CD2-CD1 4.14Å; L874-L888 HydrophobicContact CD2-CG 4.33Å; L874-L888 HydrophobicContact CG-CD1 4.38Å; I876-L888 HydrophobicContact CG1-CD1 3.93Å; L888-T945 WeakPolarHBondContact O-CA 3.01Å; L888-L946 HydrophobicContact CB-CB 4.33Å; L888-L946 HydrophobicContact CD2-CD1 4.42Å; L888-L946 PolarHBondContact N-O 3.18Å; L888-L946 PolarHBondContact O-N 3.03Å; L888-L948 HydrophobicContact CB-CD1 4.32Å; L888-L948 HydrophobicContact CB-CD2 4.3Å; L888-L948 HydrophobicContact CB-CG 4.27Å; L888-L983 HydrophobicContact CD2-CD1 3.96Å; L888-L983 HydrophobicContact CD2-CD2 4.01Å
889	K	54	Low	42.5	Very low	64 Å²	64	61.3 Å²	61.3	28%	0.278	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	147.2	171.1	-39.8	173	175.6	154.2	0	109.9	L874 T875 T877 W891 L942 N944 T945	L874-K889 WeakPolarHBondContact CA-O 3.11Å; T875-K889 PolarHBondContact N-O 3.29Å; T875-K889 PolarHBondContact O-N 3.32Å; T875-K889 WeakPolarHBondContact OG1-CB 3.33Å; T877-K889 HydrophobicContact CG2-CD 3.94Å; T877-K889 HydrophobicContact CG2-CG 4.41Å; T877-K889 WeakPolarHBondContact OG1-CE 3.41Å; T877-K889 PolarHBondContact OG1-NZ 3.05Å; K889-W891 HydrophobicContact CD-CZ2 4.32Å; K889-L942 HydrophobicContact CB-CD1 3.88Å; K889-N944 CarbonylContact C-O 3.57Å; K889-N944 WeakPolarHBondContact CA-O 3.39Å; K889-T945 HydrophobicContact CG-CG2 4.11Å
890	V	50.3	Low	41.7	Very low	1 Å²	1	61 Å²	61	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.3	-173.8	-169.8	0	0	0	0	108.5	I872 F873 L874 I943 N944 L946 F992	I872-V890 HydrophobicContact CG2-CG1 3.61Å; F873-V890 CarbonylContact O-C 3.57Å; F873-V890 WeakPolarHBondContact O-CA 3.15Å; L874-V890 HydrophobicContact CD2-CB 4.11Å; L874-V890 HydrophobicContact CD2-CG1 3.88Å; L874-V890 HydrophobicContact CD2-CG2 3.71Å; V890-I943 HydrophobicContact CG1-CD1 4.14Å; V890-I943 WeakPolarHBondContact O-CA 3.21Å; V890-I943 WeakPolarHBondContact O-CG1 3.26Å; V890-I943 PolarHBondContact O-N 2.75Å; V890-N944 HydrophobicContact CB-CB 4.1Å; V890-N944 HydrophobicContact CG2-CB 4.16Å; V890-N944 PolarHBondContact N-O 2.79Å; V890-N944 PolarHBondContact O-N 2.84Å; V890-N944 VanDerWaalsContact O-N 3.09Å; V890-L946 HydrophobicContact CG2-CD1 4.41Å; V890-F992 HydrophobicContact CG1-CE1 3.88Å; V890-F992 HydrophobicContact CG1-CZ 3.78Å
891	W	49.5	Very low	41.6	Very low	77 Å²	77	62.7 Å²	62.7	29%	0.292	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.3	-177	-40.9	70.7	0	0	0	110.5	I872 F873 T875 K889 L940 Q941 L942	I872-W891 CarbonylContact C-O 3.5Å; I872-W891 VanDerWaalsContact CA-O 3.27Å; I872-W891 WeakPolarHBondContact CA-O 3.2Å; F873-W891 HydrophobicContact CB-CB 4.15Å; F873-W891 HydrophobicContact CB-CG 4.49Å; F873-W891 PolarHBondContact N-O 3.16Å; F873-W891 PolarHBondContact O-N 2.87Å; T875-W891 PolarHBondContact OG1-NE1 2.97Å; K889-W891 HydrophobicContact CD-CZ2 4.32Å; W891-L940 HydrophobicContact CB-CD2 4.42Å; W891-Q941 CarbonylContact C-O 3.6Å; W891-Q941 VanDerWaalsContact CA-O 3.29Å; W891-Q941 WeakPolarHBondContact CA-O 3.3Å; W891-L942 HydrophobicContact CD2-CB 4.21Å; W891-L942 HydrophobicContact CD2-CD1 3.8Å; W891-L942 HydrophobicContact CE3-CB 3.64Å; W891-L942 HydrophobicContact CE3-CD1 4.08Å; W891-L942 HydrophobicContact CE3-CG 4.43Å; W891-L942 HydrophobicContact CG-CD1 4.27Å; W891-L942 HydrophobicContact CH2-CB 4.46Å; W891-L942 HydrophobicContact CH2-CD1 4.34Å; W891-L942 HydrophobicContact CZ2-CD1 4.08Å; W891-L942 HydrophobicContact CZ3-CB 3.79Å; W891-L942 HydrophobicContact CZ3-CD1 4.34Å; W891-L942 HydrophobicContact CZ3-CG 4.49Å
892	Q	44.7	Very low	41.2	Very low	17 Å²	17	65.6 Å²	65.6	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	153.4	173.5	-159.6	162.9	-32.4	0	0	109	E870 Q871 L940 Q941 I943	E870-Q892 HydrophobicContact CB-CG 4.31Å; E870-Q892 VanDerWaalsContact CD-NE2 3.35Å; E870-Q892 HydrophobicContact CG-CG 4.42Å; E870-Q892 PolarHBondContact OE1-NE2 3.42Å; Q871-Q892 CarbonylContact O-C 3.57Å; Q871-Q892 WeakPolarHBondContact O-CA 3.25Å; Q892-L940 CarbonylContact O-C 3.49Å; Q892-L940 WeakPolarHBondContact O-CA 3.36Å; Q892-Q941 HydrophobicContact CB-CB 4.41Å; Q892-Q941 PolarHBondContact N-O 3.11Å; Q892-Q941 PolarHBondContact O-N 3.43Å; Q892-I943 HydrophobicContact CB-CD1 3.59Å; Q892-I943 HydrophobicContact CB-CG1 3.72Å; Q892-I943 HydrophobicContact CG-CD1 4.23Å
893	T	41.7	Very low	40.5	Very low	2 Å²	2	68.8 Å²	68.8	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.1	154	42.7	0	0	0	0	111.9	Q871 F873 F895 C938 G939 L940	Q871-T893 WeakPolarHBondContact CA-OG1 3.33Å; Q871-T893 WeakPolarHBondContact CB-OG1 3.42Å; Q871-T893 WeakPolarHBondContact CG-OG1 3.49Å; Q871-T893 PolarHBondContact N-OG1 3.09Å; Q871-T893 PolarHBondContact O-N 3.35Å; Q871-T893 PolarHBondContact O-OG1 3.5Å; F873-T893 HydrophobicContact CD2-CG2 4.26Å; F873-T893 HydrophobicContact CE2-CG2 3.56Å; F873-T893 HydrophobicContact CZ-CG2 4.39Å; T893-F895 HydrophobicContact CG2-CE2 4.47Å; T893-F895 WeakPolarHBondContact OG1-CE2 3.41Å; T893-C938 WeakPolarHBondContact CG2-SG 3.45Å; T893-G939 CarbonylContact C-O 3.53Å; T893-G939 VanDerWaalsContact CA-O 3.31Å; T893-G939 WeakPolarHBondContact CA-O 3.24Å; T893-L940 HydrophobicContact CG2-CD2 3.56Å; T893-L940 HydrophobicContact CG2-CG 3.97Å
894	I	36.1	Very low	39.7	Very low	32 Å²	32	69.1 Å²	69.1	16%	0.164	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.9	170.7	-59.4	174	0	0	0	105.7	M868 C938 G939 Q941	M868-I894 HydrophobicContact CE-CG1 4.05Å; M868-I894 HydrophobicContact CE-CG2 3.99Å; I894-C938 CarbonylContact O-C 3.53Å; I894-C938 WeakPolarHBondContact O-CA 2.84Å; I894-G939 PolarHBondContact N-O 3.35Å; I894-G939 PolarHBondContact O-N 2.87Å; I894-Q941 HydrophobicContact CD1-CB 4.49Å
895	F	35.7	Very low	38.8	Very low	42 Å²	42	72.1 Å²	72.1	18%	0.184	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.9	176.4	-75.5	-98.1	0	0	0	109.7	I869 Q871 T893 L936 K937 C938	I869-F895 HydrophobicContact CB-CB 4.37Å; I869-F895 HydrophobicContact CB-CD2 3.67Å; I869-F895 HydrophobicContact CB-CE2 4.18Å; I869-F895 HydrophobicContact CB-CG 4.18Å; I869-F895 HydrophobicContact CG2-CD2 4.02Å; I869-F895 HydrophobicContact CG2-CE2 4Å; I869-F895 VanDerWaalsContact O-CD2 3.28Å; I869-F895 WeakPolarHBondContact O-CD2 3.37Å; Q871-F895 HydrophobicContact CG-CE2 4Å; T893-F895 HydrophobicContact CG2-CE2 4.47Å; T893-F895 WeakPolarHBondContact OG1-CE2 3.41Å; F895-L936 HydrophobicContact CD1-CD2 3.89Å; F895-K937 CarbonylContact C-O 3.44Å; F895-K937 WeakPolarHBondContact CA-O 3.47Å; F895-C938 HydrophobicContact CD1-CB 4.06Å; F895-C938 HydrophobicContact CE1-CB 3.85Å; F895-C938 HydrophobicContact CZ-CB 4.27Å; F895-C938 VanDerWaalsContact CZ-SG 3.52Å
896	D	33	Very low	37.9	Very low	81 Å²	81	82.8 Å²	82.8	43%	0.433	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.2	167.5	-65.3	-44.7	0	0	0	109.5	K937	D896-K937 HydrophobicContact CB-CB 4.15Å; D896-K937 HydrophobicContact CB-CD 4.46Å; D896-K937 HydrophobicContact CB-CG 4.49Å; D896-K937 PolarHBondContact N-O 2.8Å; D896-K937 PolarHBondContact O-N 2.87Å
897	Y	31.8	Very low	36.5	Very low	139 Å²	139	87.9 Å²	87.9	55%	0.545	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	107.1	-178.8	-81.8	-97.2	0	0	0	109.3	I869 V934 L936	I869-Y897 HydrophobicContact CD1-CE2 4.37Å; I869-Y897 WeakPolarHBondContact CD1-OH 3.47Å; Y897-V934 HydrophobicContact CD1-CG1 4.43Å; Y897-L936 HydrophobicContact CD1-CD2 3.93Å; Y897-L936 HydrophobicContact CD1-CG 4.28Å; Y897-L936 HydrophobicContact CD2-CD2 4.3Å; Y897-L936 HydrophobicContact CE1-CD1 4.49Å; Y897-L936 HydrophobicContact CE1-CD2 3.6Å; Y897-L936 HydrophobicContact CE1-CG 4.1Å; Y897-L936 HydrophobicContact CE2-CD2 3.99Å; Y897-L936 HydrophobicContact CG-CD2 4.28Å
898	N	32.6	Very low	35	Very low	39 Å²	39	89.4 Å²	89.4	21%	0.209	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.8	171	-84.5	18.5	0	0	0	111.2	E655 D656 S935	E655-N898 PolarHBondContact O-ND2 3.09Å; D656-N898 WeakPolarHBondContact CB-ND2 3.48Å; D656-N898 PolarHBondContact OD1-ND2 3.01Å; N898-S935 WeakPolarHBondContact CB-OG 3.34Å; N898-S935 PolarHBondContact N-O 2.85Å; N898-S935 PolarHBondContact O-N 3.26Å; N898-S935 PolarHBondContact O-OG 2.94Å
899	M	31	Very low	33.5	Very low	117 Å²	117	91.6 Å²	91.6	58%	0.576	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.7	167.4	-72.6	-77.2	-157.1	0	0	107.3	L922 V934	M899-L922 HydrophobicContact CE-CD1 4.17Å; M899-L922 HydrophobicContact CE-CD2 4.34Å; M899-V934 HydrophobicContact SD-CG2 4.04Å
900	G	29.9	Very low	32.1	Very low	41 Å²	41	89.8 Å²	89.8	42%	0.423	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-61.1	139.5	-177.2	0	0	0	0	0	113.7	E902	G900-E902 PolarHBondContact O-N 3.01Å
901	N	31.4	Very low	31	Very low	129 Å²	129	95 Å²	95	69%	0.69	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	4.6	-169.1	-90.2	-25	0	0	0	116.5
902	E	29.8	Very low	29.9	Very low	153 Å²	153	98.2 Å²	98.2	72%	0.715	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.7	-171.2	-58.9	-148.8	130	0	0	115.8	K542 G900 H904	K542-E902 IonicContact NZ-OE1 3.14Å; K542-E902 PolarHBondContact NZ-OE1 2.83Å; K542-E902 VanDerWaalsContact NZ-OE1 3.12Å; G900-E902 PolarHBondContact O-N 3.01Å; E902-H904 PolarHBondContact O-N 3.2Å
903	Y	26.1	Very low	29.2	Very low	148 Å²	148	105.5 Å²	105.5	58%	0.58	51%	0.505	S	S	*	.	S	Bend	trans	-84.4	94.8	168.6	-94.2	-89.7	0	0	0	111.7	F905 D930	Y903-F905 VanDerWaalsContact C-N 3.3Å; Y903-F905 PolarHBondContact O-N 3.25Å; Y903-D930 PolarHBondContact OH-OD1 3.33Å; Y903-D930 VanDerWaalsContact OH-OD1 3.12Å
904	H	25.4	Very low	28.5	Very low	178 Å²	178	107.5 Å²	107.5	82%	0.824	52%	0.517	S	S	*	.			trans	-64.3	77	173.5	-79.5	-56.9	0	0	0	113.6	E902 R906	E902-H904 PolarHBondContact O-N 3.2Å; H904-R906 VanDerWaalsContact C-N 3.28Å; H904-R906 PolarHBondContact O-N 3.16Å
905	F	24.6	Very low	28.2	Very low	184 Å²	184	109.3 Å²	109.3	81%	0.807	53%	0.533	S	S	*	.			trans	-73	87.6	158.3	-108.9	-82.7	0	0	0	109.8	Y903	Y903-F905 VanDerWaalsContact C-N 3.3Å; Y903-F905 PolarHBondContact O-N 3.25Å
906	R	23.3	Very low	27.9	Very low	225 Å²	225	111.7 Å²	111.7	85%	0.849	55%	0.547	S	S	*	.			trans	-51.7	141.4	163.8	-87.3	-173.8	173.7	-177.9	-0.9	109.3	H904	H904-R906 VanDerWaalsContact C-N 3.28Å; H904-R906 PolarHBondContact O-N 3.16Å
907	N	22.8	Very low	27.8	Very low	139 Å²	139	114.6 Å²	114.6	74%	0.743	56%	0.555	S	S	*	*	S	Bend	trans	64.6	114	173.1	-69.2	-7.7	0	0	0	116.9
908	S	24.2	Very low	27.7	Very low	69 Å²	69	110.1 Å²	110.1	48%	0.483	54%	0.542	S	S	.	.				87.2	-179.9	121.4	74	0	0	0	0	118.9	G910 N1132	S908-G910 PolarHBondContact O-N 3.13Å; S908-N1132 VanDerWaalsContact C-ND2 3.32Å; S908-N1132 WeakPolarHBondContact CB-OD1 3.45Å; S908-N1132 VanDerWaalsContact OG-CG 3.31Å; S908-N1132 PolarHBondContact OG-ND2 3.05Å; S908-N1132 PolarHBondContact OG-OD1 3.49Å
909	N	25.9	Very low	27.6	Very low	46 Å²	46	113.5 Å²	113.5	25%	0.246	56%	0.56	C	S	.	*			trans	-101.9	62.6	-134	-51.5	-0.4	0	0	0	112.9	S1128 K1129 E1130 L1131 N1132	N909-S1128 WeakPolarHBondContact CB-O 3.41Å; N909-S1128 PolarHBondContact OD1-O 3.06Å; N909-S1128 VanDerWaalsContact OD1-O 3.11Å; N909-K1129 CarbonylContact C-O 3.58Å; N909-K1129 CarbonylContact O-C 3.56Å; N909-E1130 CarbonylContact O-C 3.53Å; N909-E1130 WeakPolarHBondContact O-CA 3.48Å; N909-E1130 PolarHBondContact O-N 3.09Å; N909-L1131 PolarHBondContact O-N 2.81Å; N909-N1132 PolarHBondContact N-ND2 3.23Å; N909-N1132 PolarHBondContact N-OD1 3.18Å; N909-N1132 WeakPolarHBondContact O-CB 3.48Å; N909-N1132 PolarHBondContact O-N 3.42Å
910	G	25.3	Very low	27.7	Very low	26 Å²	26	113.3 Å²	113.3	27%	0.268	56%	0.558	S	S	.	*			trans	-147.7	87.4	-174.7	0	0	0	0	0	119.5	S908 T914 K1129	S908-G910 PolarHBondContact O-N 3.13Å; G910-T914 PolarHBondContact O-OG1 2.82Å; G910-T914 VanDerWaalsContact O-OG1 3.13Å; G910-K1129 WeakPolarHBondContact CA-O 3.31Å; G910-K1129 PolarHBondContact N-O 2.8Å; G910-K1129 VanDerWaalsContact N-O 3.1Å
911	L	25.7	Very low	27.7	Very low	112 Å²	112	119.2 Å²	119.2	59%	0.586	57%	0.567	S	S	*	*			trans	-141	-7.3	175	-108.6	152.9	0	0	0	121.7	R913 T914 K1129	L911-R913 PolarHBondContact O-N 2.92Å; L911-T914 WeakPolarHBondContact CA-OG1 3.22Å; L911-T914 PolarHBondContact O-N 3.42Å; L911-K1129 PolarHBondContact N-O 3.23Å
912	K	28	Very low	27.7	Very low	144 Å²	144	115.5 Å²	115.5	63%	0.626	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-1.9	171.6	-101.3	-163.7	-151.2	97.3	0	115.2	E1130	K912-E1130 VanDerWaalsContact CB-CD 3.48Å; K912-E1130 HydrophobicContact CB-CG 3.79Å; K912-E1130 WeakPolarHBondContact CD-OE1 3.48Å; K912-E1130 VanDerWaalsContact CD-OE2 3.25Å; K912-E1130 WeakPolarHBondContact CD-OE2 3.08Å; K912-E1130 WeakPolarHBondContact CE-OE1 3.24Å; K912-E1130 VanDerWaalsContact CG-CD 3.49Å; K912-E1130 HydrophobicContact CG-CG 4.29Å; K912-E1130 WeakPolarHBondContact CG-OE1 3.42Å; K912-E1130 IonicContact NZ-OE1 3.47Å; K912-E1130 PolarHBondContact NZ-OE1 3.1Å; K912-E1130 IonicContact NZ-OE2 2.82Å; K912-E1130 PolarHBondContact NZ-OE2 3.01Å
913	R	29.5	Very low	27.9	Very low	169 Å²	169	114.7 Å²	114.7	64%	0.638	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.5	4.8	-175.1	-126	166.6	175.1	166.4	-14.2	114.7	N81 L911	N81-R913 PolarHBondContact ND2-NH1 3.25Å; N81-R913 PolarHBondContact OD1-NH1 3.5Å; N81-R913 PolarHBondContact OD1-NH2 3.16Å; L911-R913 PolarHBondContact O-N 2.92Å
914	T	26.6	Very low	28.2	Very low	45 Å²	45	113.6 Å²	113.6	28%	0.276	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-10.8	-171.5	-22.6	0	0	0	0	112.5	G910 L911 I916 K917 T918	G910-T914 PolarHBondContact O-OG1 2.82Å; G910-T914 VanDerWaalsContact O-OG1 3.13Å; L911-T914 WeakPolarHBondContact CA-OG1 3.22Å; L911-T914 PolarHBondContact O-N 3.42Å; T914-I916 PolarHBondContact O-N 3.37Å; T914-K917 HydrophobicContact CG2-CB 4.17Å; T914-K917 CarbonylContact O-C 3.58Å; T914-K917 WeakPolarHBondContact O-CA 3.45Å; T914-K917 PolarHBondContact O-N 2.76Å; T914-T918 PolarHBondContact O-N 3.01Å; T914-T918 PolarHBondContact O-OG1 2.9Å; T914-T918 VanDerWaalsContact O-OG1 3.13Å
915	S	29.8	Very low	28.5	Very low	69 Å²	69	108.4 Å²	108.4	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-49.4	-35.8	-177.8	52.3	0	0	0	0	114.6	T918 L919	S915-T918 PolarHBondContact O-N 2.81Å; S915-L919 VanDerWaalsContact O-CB 3.27Å; S915-L919 WeakPolarHBondContact O-CB 3.29Å; S915-L919 WeakPolarHBondContact O-CG 3.46Å; S915-L919 PolarHBondContact O-N 2.99Å
916	I	29.4	Very low	29	Very low	93 Å²	93	105 Å²	105	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-48.4	174	-61.6	173.2	0	0	0	111.3	T914 T918 L919 Q920	T914-I916 PolarHBondContact O-N 3.37Å; I916-T918 VanDerWaalsContact C-N 3.3Å; I916-T918 PolarHBondContact O-N 2.84Å; I916-L919 PolarHBondContact O-N 2.82Å; I916-Q920 WeakPolarHBondContact O-CB 3.48Å; I916-Q920 VanDerWaalsContact O-CG 3.3Å; I916-Q920 WeakPolarHBondContact O-CG 3.3Å; I916-Q920 PolarHBondContact O-N 3.06Å
917	K	30.5	Very low	29.4	Very low	141 Å²	141	100.5 Å²	100.5	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-69.9	-24.4	174.9	-86.1	-174.4	175.3	179.8	0	113	T914 R921	T914-K917 HydrophobicContact CG2-CB 4.17Å; T914-K917 CarbonylContact O-C 3.58Å; T914-K917 WeakPolarHBondContact O-CA 3.45Å; T914-K917 PolarHBondContact O-N 2.76Å; K917-R921 WeakPolarHBondContact O-CB 3.17Å; K917-R921 VanDerWaalsContact O-CG 3.24Å; K917-R921 WeakPolarHBondContact O-CG 3.5Å; K917-R921 PolarHBondContact O-N 2.78Å
918	T	30.7	Very low	29.9	Very low	45 Å²	45	97.5 Å²	97.5	28%	0.276	50%	0.499	S	S	.	.	H	α-helix	trans	-83.2	-32.6	176.1	-56.3	0	0	0	0	111.3	T914 S915 I916 R921 L922	T914-T918 PolarHBondContact O-N 3.01Å; T914-T918 PolarHBondContact O-OG1 2.9Å; T914-T918 VanDerWaalsContact O-OG1 3.13Å; S915-T918 PolarHBondContact O-N 2.81Å; I916-T918 VanDerWaalsContact C-N 3.3Å; I916-T918 PolarHBondContact O-N 2.84Å; T918-R921 CarbonylContact O-C 3.57Å; T918-R921 PolarHBondContact O-N 3.15Å; T918-L922 HydrophobicContact CG2-CD1 4.33Å; T918-L922 VanDerWaalsContact O-CB 3.29Å; T918-L922 WeakPolarHBondContact O-CB 2.97Å; T918-L922 WeakPolarHBondContact O-CD1 3.24Å; T918-L922 WeakPolarHBondContact O-CG 3.35Å; T918-L922 PolarHBondContact O-N 2.78Å
919	L	30.3	Very low	30.1	Very low	111 Å²	111	95.6 Å²	95.6	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-72.1	-41.5	168.7	-80.6	164.1	0	0	0	111.2	S915 I916 R921 L922 Q923	S915-L919 VanDerWaalsContact O-CB 3.27Å; S915-L919 WeakPolarHBondContact O-CB 3.29Å; S915-L919 WeakPolarHBondContact O-CG 3.46Å; S915-L919 PolarHBondContact O-N 2.99Å; I916-L919 PolarHBondContact O-N 2.82Å; L919-R921 VanDerWaalsContact C-N 3.3Å; L919-R921 PolarHBondContact O-N 3.39Å; L919-L922 HydrophobicContact CD2-CD1 4.36Å; L919-L922 PolarHBondContact O-N 2.8Å; L919-Q923 WeakPolarHBondContact O-CB 2.93Å; L919-Q923 PolarHBondContact O-N 2.95Å
920	Q	32.9	Very low	30.3	Very low	113 Å²	113	97.5 Å²	97.5	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-36.7	169.8	-73.6	175.7	-27.5	0	0	111.8	I916 M924	I916-Q920 WeakPolarHBondContact O-CB 3.48Å; I916-Q920 VanDerWaalsContact O-CG 3.3Å; I916-Q920 WeakPolarHBondContact O-CG 3.3Å; I916-Q920 PolarHBondContact O-N 3.06Å; Q920-M924 WeakPolarHBondContact O-CB 3.41Å; Q920-M924 VanDerWaalsContact O-CG 3.32Å; Q920-M924 WeakPolarHBondContact O-CG 3.4Å; Q920-M924 PolarHBondContact O-N 2.87Å
921	R	30.7	Very low	30.5	Very low	165 Å²	165	102 Å²	102	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-72.5	-32.4	171	-82.5	177.8	169.4	178.9	-4.9	113.5	K917 T918 L919 M924 L925	K917-R921 WeakPolarHBondContact O-CB 3.17Å; K917-R921 VanDerWaalsContact O-CG 3.24Å; K917-R921 WeakPolarHBondContact O-CG 3.5Å; K917-R921 PolarHBondContact O-N 2.78Å; T918-R921 CarbonylContact O-C 3.57Å; T918-R921 PolarHBondContact O-N 3.15Å; L919-R921 VanDerWaalsContact C-N 3.3Å; L919-R921 PolarHBondContact O-N 3.39Å; R921-M924 CarbonylContact O-C 3.53Å; R921-M924 PolarHBondContact O-N 2.98Å; R921-L925 WeakPolarHBondContact O-CB 3.48Å; R921-L925 WeakPolarHBondContact O-CD1 3.36Å; R921-L925 WeakPolarHBondContact O-CG 3.46Å; R921-L925 PolarHBondContact O-N 2.82Å
922	L	30.7	Very low	30.6	Very low	50 Å²	50	98.7 Å²	98.7	26%	0.262	52%	0.516	S	S	.	.	H	α-helix	trans	-68.1	-40	173.5	-82.1	162.5	0	0	0	110.6	M899 T918 L919 L925 V926 V934	M899-L922 HydrophobicContact CE-CD1 4.17Å; M899-L922 HydrophobicContact CE-CD2 4.34Å; T918-L922 HydrophobicContact CG2-CD1 4.33Å; T918-L922 VanDerWaalsContact O-CB 3.29Å; T918-L922 WeakPolarHBondContact O-CB 2.97Å; T918-L922 WeakPolarHBondContact O-CD1 3.24Å; T918-L922 WeakPolarHBondContact O-CG 3.35Å; T918-L922 PolarHBondContact O-N 2.78Å; L919-L922 HydrophobicContact CD2-CD1 4.36Å; L919-L922 PolarHBondContact O-N 2.8Å; L922-L925 PolarHBondContact O-N 3.15Å; L922-V926 WeakPolarHBondContact O-CB 3.41Å; L922-V926 VanDerWaalsContact O-CG2 3.31Å; L922-V926 WeakPolarHBondContact O-CG2 3.43Å; L922-V926 PolarHBondContact O-N 3.4Å; L922-V934 HydrophobicContact CD2-CG2 4.41Å
923	Q	34.4	Very low	30.6	Very low	136 Å²	136	97.4 Å²	97.4	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-62.2	-46.8	170.9	-161.3	159.4	16.1	0	0	110.2	L919 L925 V926 D927	L919-Q923 WeakPolarHBondContact O-CB 2.93Å; L919-Q923 PolarHBondContact O-N 2.95Å; Q923-L925 VanDerWaalsContact C-N 3.33Å; Q923-L925 PolarHBondContact O-N 2.88Å; Q923-V926 PolarHBondContact O-N 3.3Å; Q923-D927 WeakPolarHBondContact O-CB 3.15Å; Q923-D927 PolarHBondContact O-N 3Å
924	M	32.1	Very low	30.6	Very low	126 Å²	126	92.2 Å²	92.2	62%	0.621	50%	0.502	S	S	*	.	H	α-helix	trans	-65	-26.5	172.3	-73.5	-177.2	67.7	0	0	114.9	Q920 R921 D927 S928	Q920-M924 WeakPolarHBondContact O-CB 3.41Å; Q920-M924 VanDerWaalsContact O-CG 3.32Å; Q920-M924 WeakPolarHBondContact O-CG 3.4Å; Q920-M924 PolarHBondContact O-N 2.87Å; R921-M924 CarbonylContact O-C 3.53Å; R921-M924 PolarHBondContact O-N 2.98Å; M924-D927 CarbonylContact O-C 3.37Å; M924-D927 PolarHBondContact O-N 2.87Å; M924-S928 WeakPolarHBondContact O-CB 3.3Å; M924-S928 PolarHBondContact O-N 2.7Å; M924-S928 PolarHBondContact O-OG 2.76Å
925	L	31.2	Very low	30.6	Very low	69 Å²	69	91 Å²	91	36%	0.361	50%	0.495	S	S	.	.	H	α-helix	trans	-80.3	-38.3	179.4	-79.6	161	0	0	0	111.1	R921 L922 Q923 D927 S928 G929 D930	R921-L925 WeakPolarHBondContact O-CB 3.48Å; R921-L925 WeakPolarHBondContact O-CD1 3.36Å; R921-L925 WeakPolarHBondContact O-CG 3.46Å; R921-L925 PolarHBondContact O-N 2.82Å; L922-L925 PolarHBondContact O-N 3.15Å; Q923-L925 VanDerWaalsContact C-N 3.33Å; Q923-L925 PolarHBondContact O-N 2.88Å; L925-D927 VanDerWaalsContact C-N 3.25Å; L925-S928 WeakPolarHBondContact CA-OG 3.2Å; L925-S928 PolarHBondContact O-N 2.85Å; L925-G929 PolarHBondContact O-N 3.19Å; L925-D930 HydrophobicContact CD2-CB 3.63Å
926	V	34.9	Very low	30.5	Very low	111 Å²	111	92 Å²	92	67%	0.673	50%	0.495	S	S	*	.	H	α-helix	trans	-61	-37.3	165.3	171.2	0	0	0	0	110.4	L922 Q923	L922-V926 WeakPolarHBondContact O-CB 3.41Å; L922-V926 VanDerWaalsContact O-CG2 3.31Å; L922-V926 WeakPolarHBondContact O-CG2 3.43Å; L922-V926 PolarHBondContact O-N 3.4Å; Q923-V926 PolarHBondContact O-N 3.3Å
927	D	32.5	Very low	30.6	Very low	131 Å²	131	90 Å²	90	70%	0.701	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.7	173.9	-65.6	-27.6	0	0	0	114.3	Q923 M924 L925	Q923-D927 WeakPolarHBondContact O-CB 3.15Å; Q923-D927 PolarHBondContact O-N 3Å; M924-D927 CarbonylContact O-C 3.37Å; M924-D927 PolarHBondContact O-N 2.87Å; L925-D927 VanDerWaalsContact C-N 3.25Å
928	S	33.6	Very low	30.7	Very low	76 Å²	76	86.4 Å²	86.4	53%	0.531	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	0.3	-174.8	79.2	0	0	0	0	115.5	M924 L925 D930	M924-S928 WeakPolarHBondContact O-CB 3.3Å; M924-S928 PolarHBondContact O-N 2.7Å; M924-S928 PolarHBondContact O-OG 2.76Å; L925-S928 WeakPolarHBondContact CA-OG 3.2Å; L925-S928 PolarHBondContact O-N 2.85Å; S928-D930 VanDerWaalsContact C-N 3.29Å; S928-D930 PolarHBondContact O-N 2.71Å
929	G	27.9	Very low	30.7	Very low	29 Å²	29	85.9 Å²	85.9	30%	0.299	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	16.1	174.3	0	0	0	0	0	115.5	L925 T931	L925-G929 PolarHBondContact O-N 3.19Å; G929-T931 PolarHBondContact O-N 2.88Å
930	D	30	Very low	31.2	Very low	87 Å²	87	85.7 Å²	85.7	47%	0.465	48%	0.477	S	S	.	.			trans	-83	101.5	176.6	-124.1	-22.9	0	0	0	108.6	Y903 L925 S928 G932	Y903-D930 PolarHBondContact OH-OD1 3.33Å; Y903-D930 VanDerWaalsContact OH-OD1 3.12Å; L925-D930 HydrophobicContact CD2-CB 3.63Å; S928-D930 VanDerWaalsContact C-N 3.29Å; S928-D930 PolarHBondContact O-N 2.71Å; D930-G932 PolarHBondContact O-N 2.81Å
931	T	28.7	Very low	31.7	Very low	119 Å²	119	84.5 Å²	84.5	73%	0.73	47%	0.472	S	S	*	.			trans	-80.1	42.7	-161.9	48.7	0	0	0	0	115.4	G929 I933	G929-T931 PolarHBondContact O-N 2.88Å; T931-I933 PolarHBondContact O-N 3.02Å
932	G	28.1	Very low	32.3	Very low	43 Å²	43	79.4 Å²	79.4	44%	0.443	46%	0.457	S	S	.	.			trans	-66.3	108.1	172	0	0	0	0	0	112.3	D930 V934	D930-G932 PolarHBondContact O-N 2.81Å; G932-V934 PolarHBondContact O-N 3.13Å
933	I	28.6	Very low	33	Very low	117 Å²	117	77.5 Å²	77.5	60%	0.6	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-68.5	117.7	-176.6	-57.3	175.6	0	0	0	110.6	T931	T931-I933 PolarHBondContact O-N 3.02Å
934	V	28.4	Very low	33.6	Very low	61 Å²	61	73 Å²	73	37%	0.37	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.6	166	-179.8	0	0	0	0	108.2	Y897 M899 L922 G932	Y897-V934 HydrophobicContact CD1-CG1 4.43Å; M899-V934 HydrophobicContact SD-CG2 4.04Å; L922-V934 HydrophobicContact CD2-CG2 4.41Å; G932-V934 PolarHBondContact O-N 3.13Å
935	S	27.6	Very low	34.6	Very low	19 Å²	19	69.6 Å²	69.6	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.5	178	55.3	0	0	0	0	111.4	E655 N898	E655-S935 PolarHBondContact OE2-OG 2.89Å; N898-S935 WeakPolarHBondContact CB-OG 3.34Å; N898-S935 PolarHBondContact N-O 2.85Å; N898-S935 PolarHBondContact O-N 3.26Å; N898-S935 PolarHBondContact O-OG 2.94Å
936	L	28	Very low	35.6	Very low	89 Å²	89	67.5 Å²	67.5	47%	0.466	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.7	172.5	-91.9	156.2	0	0	0	108.9	F895 Y897	F895-L936 HydrophobicContact CD1-CD2 3.89Å; Y897-L936 HydrophobicContact CD1-CD2 3.93Å; Y897-L936 HydrophobicContact CD1-CG 4.28Å; Y897-L936 HydrophobicContact CD2-CD2 4.3Å; Y897-L936 HydrophobicContact CE1-CD1 4.49Å; Y897-L936 HydrophobicContact CE1-CD2 3.6Å; Y897-L936 HydrophobicContact CE1-CG 4.1Å; Y897-L936 HydrophobicContact CE2-CD2 3.99Å; Y897-L936 HydrophobicContact CG-CD2 4.28Å
937	K	30.3	Very low	36.6	Very low	51 Å²	51	67.2 Å²	67.2	22%	0.222	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.4	-176.8	178.6	175.1	179.2	170.7	0	108	L652 D656 S659 F895 D896	L652-K937 HydrophobicContact CD2-CD 3.98Å; L652-K937 HydrophobicContact CD2-CG 4.47Å; D656-K937 IonicContact OD2-NZ 2.69Å; D656-K937 PolarHBondContact OD2-NZ 3.34Å; S659-K937 PolarHBondContact OG-NZ 2.74Å; F895-K937 CarbonylContact C-O 3.44Å; F895-K937 WeakPolarHBondContact CA-O 3.47Å; D896-K937 HydrophobicContact CB-CB 4.15Å; D896-K937 HydrophobicContact CB-CD 4.46Å; D896-K937 HydrophobicContact CB-CG 4.49Å; D896-K937 PolarHBondContact N-O 2.8Å; D896-K937 PolarHBondContact O-N 2.87Å
938	C	31.9	Very low	37.7	Very low	66 Å²	66	61.5 Å²	61.5	45%	0.446	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.6	-171.9	-175.3	0	0	0	0	111.1	T893 I894 F895	T893-C938 WeakPolarHBondContact CG2-SG 3.45Å; I894-C938 CarbonylContact O-C 3.53Å; I894-C938 WeakPolarHBondContact O-CA 2.84Å; F895-C938 HydrophobicContact CD1-CB 4.06Å; F895-C938 HydrophobicContact CE1-CB 3.85Å; F895-C938 HydrophobicContact CZ-CB 4.27Å; F895-C938 VanDerWaalsContact CZ-SG 3.52Å
939	G	32.7	Very low	38.3	Very low	35 Å²	35	60.5 Å²	60.5	36%	0.361	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.1	178.2	0	0	0	0	0	112.5	T893 I894	T893-G939 CarbonylContact C-O 3.53Å; T893-G939 VanDerWaalsContact CA-O 3.31Å; T893-G939 WeakPolarHBondContact CA-O 3.24Å; I894-G939 PolarHBondContact N-O 3.35Å; I894-G939 PolarHBondContact O-N 2.87Å
940	L	39.6	Very low	39	Very low	106 Å²	106	63.2 Å²	63.2	56%	0.555	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.3	175.7	-84.1	161.6	0	0	0	111.3	F873 W891 Q892 T893	F873-L940 HydrophobicContact CD2-CD2 3.78Å; F873-L940 HydrophobicContact CE2-CD2 3.97Å; F873-L940 HydrophobicContact CG-CD2 4.32Å; W891-L940 HydrophobicContact CB-CD2 4.42Å; Q892-L940 CarbonylContact O-C 3.49Å; Q892-L940 WeakPolarHBondContact O-CA 3.36Å; T893-L940 HydrophobicContact CG2-CD2 3.56Å; T893-L940 HydrophobicContact CG2-CG 3.97Å
941	Q	42.6	Very low	39.6	Very low	88 Å²	88	61.3 Å²	61.3	41%	0.411	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.5	-179.3	-171.2	-175.6	42.4	0	0	111.3	W891 Q892 I894 I943	W891-Q941 CarbonylContact C-O 3.6Å; W891-Q941 VanDerWaalsContact CA-O 3.29Å; W891-Q941 WeakPolarHBondContact CA-O 3.3Å; Q892-Q941 HydrophobicContact CB-CB 4.41Å; Q892-Q941 PolarHBondContact N-O 3.11Å; Q892-Q941 PolarHBondContact O-N 3.43Å; I894-Q941 HydrophobicContact CD1-CB 4.49Å; Q941-I943 PolarHBondContact O-N 2.58Å; Q941-I943 VanDerWaalsContact O-N 3.14Å
942	L	45.2	Very low	39.9	Very low	59 Å²	59	62.5 Å²	62.5	31%	0.309	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	110.1	174.1	178	65	0	0	0	110.7	K889 W891 R995	K889-L942 HydrophobicContact CB-CD1 3.88Å; W891-L942 HydrophobicContact CD2-CB 4.21Å; W891-L942 HydrophobicContact CD2-CD1 3.8Å; W891-L942 HydrophobicContact CE3-CB 3.64Å; W891-L942 HydrophobicContact CE3-CD1 4.08Å; W891-L942 HydrophobicContact CE3-CG 4.43Å; W891-L942 HydrophobicContact CG-CD1 4.27Å; W891-L942 HydrophobicContact CH2-CB 4.46Å; W891-L942 HydrophobicContact CH2-CD1 4.34Å; W891-L942 HydrophobicContact CZ2-CD1 4.08Å; W891-L942 HydrophobicContact CZ3-CB 3.79Å; W891-L942 HydrophobicContact CZ3-CD1 4.34Å; W891-L942 HydrophobicContact CZ3-CG 4.49Å; L942-R995 VanDerWaalsContact O-CZ 3.28Å; L942-R995 PolarHBondContact O-NH1 3.43Å; L942-R995 PolarHBondContact O-NH2 2.92Å
943	I	45.1	Very low	40.3	Very low	10 Å²	10	63 Å²	63	5%	0.051	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-39.6	-176.8	-19.2	174.2	0	0	0	113.3	V890 Q892 Q941 F992 R995	V890-I943 HydrophobicContact CG1-CD1 4.14Å; V890-I943 WeakPolarHBondContact O-CA 3.21Å; V890-I943 WeakPolarHBondContact O-CG1 3.26Å; V890-I943 PolarHBondContact O-N 2.75Å; Q892-I943 HydrophobicContact CB-CD1 3.59Å; Q892-I943 HydrophobicContact CB-CG1 3.72Å; Q892-I943 HydrophobicContact CG-CD1 4.23Å; Q941-I943 PolarHBondContact O-N 2.58Å; Q941-I943 VanDerWaalsContact O-N 3.14Å; I943-F992 HydrophobicContact CB-CD1 3.97Å; I943-F992 HydrophobicContact CB-CE1 4.18Å; I943-F992 HydrophobicContact CB-CG 4.48Å; I943-F992 HydrophobicContact CD1-CD1 4.12Å; I943-F992 HydrophobicContact CD1-CD2 3.98Å; I943-F992 HydrophobicContact CD1-CE1 3.9Å; I943-F992 HydrophobicContact CD1-CE2 3.77Å; I943-F992 HydrophobicContact CD1-CG 4.19Å; I943-F992 HydrophobicContact CD1-CZ 3.74Å; I943-F992 HydrophobicContact CG2-CB 3.8Å; I943-F992 HydrophobicContact CG2-CD1 3.52Å; I943-F992 HydrophobicContact CG2-CD2 4.4Å; I943-F992 HydrophobicContact CG2-CE1 4.22Å; I943-F992 HydrophobicContact CG2-CG 3.66Å; I943-R995 WeakPolarHBondContact O-CD 3.18Å; I943-R995 PolarHBondContact O-NE 3.34Å; I943-R995 VanDerWaalsContact O-NE 3.09Å; I943-R995 PolarHBondContact O-NH1 2.87Å; I943-R995 PolarHBondContact O-NH2 2.6Å
944	N	47.4	Very low	40.6	Very low	40 Å²	40	63.5 Å²	63.5	21%	0.214	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	162.7	-172	-155.3	0.8	0	0	0	113.1	K889 V890	K889-N944 CarbonylContact C-O 3.57Å; K889-N944 WeakPolarHBondContact CA-O 3.39Å; V890-N944 HydrophobicContact CB-CB 4.1Å; V890-N944 HydrophobicContact CG2-CB 4.16Å; V890-N944 PolarHBondContact N-O 2.79Å; V890-N944 PolarHBondContact O-N 2.84Å; V890-N944 VanDerWaalsContact O-N 3.09Å
945	T	51.6	Low	41	Very low	55 Å²	55	70.2 Å²	70.2	34%	0.337	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	122.7	171.4	-61	0	0	0	0	109.2	Y887 L888 K889	Y887-T945 HydrophobicContact CD1-CG2 4.02Å; L888-T945 WeakPolarHBondContact O-CA 3.01Å; K889-T945 HydrophobicContact CG-CG2 4.11Å
946	L	53.1	Low	41.5	Very low	25 Å²	25	73.4 Å²	73.4	13%	0.131	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.3	-171.9	-65	166.3	0	0	0	110.2	L888 V890 L948 I1019	L888-L946 HydrophobicContact CB-CB 4.33Å; L888-L946 HydrophobicContact CD2-CD1 4.42Å; L888-L946 PolarHBondContact N-O 3.18Å; L888-L946 PolarHBondContact O-N 3.03Å; V890-L946 HydrophobicContact CG2-CD1 4.41Å; L946-L948 PolarHBondContact O-N 2.92Å; L946-I1019 HydrophobicContact CD1-CD1 4.45Å
947	R	55.9	Low	41.6	Very low	106 Å²	106	73.5 Å²	73.5	40%	0.4	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.2	171.6	-170.9	175.3	-177	142.4	-1.2	109.6	E882 Y887 Y950	E882-R947 IonicContact OE1-CZ 2.86Å; E882-R947 IonicContact OE1-NH1 2.64Å; E882-R947 PolarHBondContact OE1-NH1 2.82Å; E882-R947 IonicContact OE2-CZ 2.66Å; E882-R947 IonicContact OE2-NH1 3.65Å; E882-R947 PolarHBondContact OE2-NH1 3.36Å; E882-R947 IonicContact OE2-NH2 2.71Å; E882-R947 PolarHBondContact OE2-NH2 2.99Å; Y887-R947 HydrophobicContact CD1-CB 4.12Å; Y887-R947 HydrophobicContact CD1-CG 4.47Å; Y887-R947 HydrophobicContact CE1-CB 3.95Å; Y887-R947 HydrophobicContact CE1-CG 4.08Å; Y887-R947 PolarHBondContact OH-NH1 3.38Å; Y887-R947 VanDerWaalsContact OH-NH1 3.14Å; R947-Y950 PolarHBondContact NH2-OH 2.96Å
948	L	54.9	Low	41.8	Very low	10 Å²	10	78.6 Å²	78.6	5%	0.052	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-84.4	136.6	-178.2	-65.6	174.2	0	0	0	110.9	L886 L888 L946 Y950 I976	L886-L948 HydrophobicContact CB-CB 4.43Å; L886-L948 PolarHBondContact O-N 3.01Å; L888-L948 HydrophobicContact CB-CD1 4.32Å; L888-L948 HydrophobicContact CB-CD2 4.3Å; L888-L948 HydrophobicContact CB-CG 4.27Å; L946-L948 PolarHBondContact O-N 2.92Å; L948-Y950 PolarHBondContact O-N 2.69Å; L948-I976 HydrophobicContact CD1-CD1 3.63Å
949	P	46.3	Very low	42.1	Very low	56 Å²	56	76.6 Å²	76.6	36%	0.364	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-74	128	-178	28.4	-33.4	0	0	0	111.4	Y981	P949-Y981 HydrophobicContact CG-CE1 4Å; P949-Y981 PolarHBondContact O-OH 2.8Å
950	Y	44	Very low	42.4	Very low	86 Å²	86	78.3 Å²	78.3	34%	0.337	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-54.6	146.7	-169.8	-75.9	-109.3	0	0	0	115.3	E884 R947 L948 K1021	E884-Y950 HydrophobicContact CB-CE1 3.93Å; E884-Y950 WeakPolarHBondContact CB-OH 3.48Å; E884-Y950 VanDerWaalsContact O-CE1 3.27Å; E884-Y950 WeakPolarHBondContact O-CE1 3.44Å; E884-Y950 PolarHBondContact O-OH 3.2Å; R947-Y950 PolarHBondContact NH2-OH 2.96Å; L948-Y950 PolarHBondContact O-N 2.69Å; Y950-K1021 PolarHBondContact O-NZ 3.12Å
951	P	41.7	Very low	42.5	Very low	46 Å²	46	74.2 Å²	74.2	30%	0.299	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-86.1	123.3	140.6	33.2	-25.3	0	0	0	109.7	G953	P951-G953 PolarHBondContact O-N 3.24Å
952	T	34.6	Very low	42.6	Very low	144 Å²	144	75 Å²	75	88%	0.883	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-76.6	118	178.7	48.4	0	0	0	0	111.7
953	G	37.2	Very low	42.6	Very low	53 Å²	53	75.7 Å²	75.7	55%	0.546	41%	0.408	S	S	.	.	S	Bend	trans	172	149	171.9	0	0	0	0	0	115	P951 R955	P951-G953 PolarHBondContact O-N 3.24Å; G953-R955 PolarHBondContact O-N 3.15Å
954	S	35.2	Very low	42.5	Very low	128 Å²	128	76.7 Å²	76.7	90%	0.895	42%	0.415	S	S	*	.	S	Bend	trans	-73.9	29.7	-173.1	53.2	0	0	0	0	115.8
955	R	37	Very low	42.1	Very low	203 Å²	203	76.2 Å²	76.2	77%	0.766	42%	0.415	S	S	*	.			trans	-128.8	33.5	-176.8	-66.6	-172.9	174.5	-174.4	-1.6	113.1	G953 S957 K958	G953-R955 PolarHBondContact O-N 3.15Å; R955-S957 PolarHBondContact O-N 3.3Å; R955-K958 PolarHBondContact O-N 2.88Å; R955-K958 VanDerWaalsContact O-N 3.09Å
956	I	36.3	Very low	41.7	Very low	85 Å²	85	77.9 Å²	77.9	44%	0.436	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-56.7	-34.7	-176.6	-57.7	177	0	0	0	111.8	E884 K958 A959	E884-I956 HydrophobicContact CB-CD1 4.48Å; E884-I956 HydrophobicContact CG-CD1 4.35Å; I956-K958 PolarHBondContact O-N 3.45Å; I956-A959 PolarHBondContact O-N 2.89Å
957	S	30.5	Very low	41.1	Very low	91 Å²	91	78.5 Å²	78.5	64%	0.636	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-64.4	-4.5	177.3	54.5	0	0	0	0	115.9	R955	R955-S957 PolarHBondContact O-N 3.3Å
958	K	35.5	Very low	40.1	Very low	159 Å²	159	78 Å²	78	69%	0.691	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-126.1	34.7	174.8	-65	-159.7	173.7	-159.3	0	113.1	R955 I956 V960	R955-K958 PolarHBondContact O-N 2.88Å; R955-K958 VanDerWaalsContact O-N 3.09Å; I956-K958 PolarHBondContact O-N 3.45Å; K958-V960 PolarHBondContact O-N 3.28Å; K958-V960 VanDerWaalsContact O-N 3.15Å
959	A	37.7	Very low	39.4	Very low	23 Å²	23	80.6 Å²	80.6	19%	0.19	45%	0.453	C	S	.	.			trans	-66.3	109.7	175.9	0	0	0	0	0	111.6	L846 I956 N977	L846-A959 HydrophobicContact CD1-CB 4.21Å; L846-A959 VanDerWaalsContact CD1-O 3.24Å; L846-A959 WeakPolarHBondContact CD1-O 3.13Å; I956-A959 PolarHBondContact O-N 2.89Å; A959-N977 WeakPolarHBondContact CA-OD1 3.14Å
960	V	38.6	Very low	39.2	Very low	71 Å²	71	78.2 Å²	78.2	43%	0.43	44%	0.438	S	S	.	.			trans	-91.2	115	176.6	178.5	0	0	0	0	109.1	K958 R962 I976 N977	K958-V960 PolarHBondContact O-N 3.28Å; K958-V960 VanDerWaalsContact O-N 3.15Å; V960-R962 HydrophobicContact CG1-CG 4.12Å; V960-I976 WeakPolarHBondContact O-CA 2.95Å; V960-N977 PolarHBondContact N-OD1 3.4Å; V960-N977 PolarHBondContact O-N 2.99Å
961	C	42.5	Very low	39.4	Very low	21 Å²	21	74.7 Å²	74.7	14%	0.142	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.2	171.2	-172.4	0	0	0	0	110.7	L846 I849 I876 T975 I976	L846-C961 HydrophobicContact CD1-CB 4.44Å; I849-C961 HydrophobicContact CD1-CB 3.83Å; I876-C961 VanDerWaalsContact CD1-SG 3.52Å; C961-T975 VanDerWaalsContact CA-O 3.24Å; C961-T975 WeakPolarHBondContact CA-O 3.48Å; C961-T975 PolarHBondContact SG-O 2.79Å; C961-I976 HydrophobicContact CB-CG1 4.45Å
962	R	44.1	Very low	39.9	Very low	105 Å²	105	72.6 Å²	72.6	40%	0.396	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.6	173.8	-57.5	178.8	174.6	-169.1	-7.2	110.3	L838 V960 T975	L838-R962 PolarHBondContact O-NH2 3.4Å; L838-R962 VanDerWaalsContact O-NH2 3.14Å; V960-R962 HydrophobicContact CG1-CG 4.12Å; R962-T975 WeakPolarHBondContact CB-OG1 3.01Å; R962-T975 PolarHBondContact N-O 3.18Å; R962-T975 VanDerWaalsContact N-O 3.08Å; R962-T975 PolarHBondContact O-N 3.09Å; R962-T975 PolarHBondContact O-OG1 2.76Å; R962-T975 VanDerWaalsContact O-OG1 3.11Å
963	I	45.3	Very low	40.8	Very low	73 Å²	73	66.4 Å²	66.4	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.8	166.5	-48.5	165.8	0	0	0	106.2	I851 I966	I851-I963 HydrophobicContact CB-CD1 4.36Å; I851-I963 HydrophobicContact CD1-CD1 3.62Å; I851-I963 HydrophobicContact CD1-CG1 3.8Å; I851-I963 HydrophobicContact CG1-CD1 3.74Å; I851-I963 HydrophobicContact CG1-CG1 4.45Å; I851-I963 HydrophobicContact CG2-CD1 3.8Å; I963-I966 HydrophobicContact CG2-CG1 4.4Å
964	V	42.5	Very low	41.7	Very low	31 Å²	31	64 Å²	64	19%	0.188	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-34.6	-171.8	-179.8	0	0	0	0	111.8	L973 T975 L1037	V964-L973 HydrophobicContact CB-CB 4.49Å; V964-L973 HydrophobicContact CB-CD2 3.62Å; V964-L973 HydrophobicContact CG1-CD2 3.77Å; V964-L973 HydrophobicContact CG2-CD2 4.29Å; V964-L973 PolarHBondContact N-O 2.76Å; V964-T975 HydrophobicContact CG2-CG2 3.74Å; V964-T975 WeakPolarHBondContact CG2-OG1 3.06Å; V964-L1037 HydrophobicContact CG1-CD1 3.74Å; V964-L1037 HydrophobicContact CG1-CD2 3.7Å; V964-L1037 HydrophobicContact CG1-CG 4.28Å
965	S	40.1	Very low	42.7	Very low	30 Å²	30	58.4 Å²	58.4	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	154.8	169.5	62.7	0	0	0	0	112.7	L973	S965-L973 PolarHBondContact O-N 3.46Å; S965-L973 WeakPolarHBondContact OG-CB 3.44Å
966	I	42.9	Very low	43.6	Very low	89 Å²	89	48.9 Å²	48.9	46%	0.456	27%	0.272	S	S	.	.			trans	-125.9	82.4	165	-57.9	159.7	0	0	0	106.6	L853 I963	L853-I966 HydrophobicContact CD2-CD1 3.72Å; L853-I966 HydrophobicContact CD2-CG1 3.94Å; L853-I966 HydrophobicContact CD2-CG2 3.79Å; I963-I966 HydrophobicContact CG2-CG1 4.4Å
967	P	40.6	Very low	44.8	Very low	39 Å²	39	47.7 Å²	47.7	25%	0.253	27%	0.266	S	S	.	.			trans	-54.6	154.1	173.3	19.1	-33.6	0	0	0	113.3	N969 G970 D971	P967-N969 WeakPolarHBondContact CB-OD1 3.49Å; P967-N969 WeakPolarHBondContact CG-OD1 3.49Å; P967-N969 PolarHBondContact O-N 2.59Å; P967-N969 PolarHBondContact O-OD1 2.94Å; P967-G970 PolarHBondContact O-N 2.92Å; P967-D971 WeakPolarHBondContact CD-O 3.5Å; P967-D971 HydrophobicContact CG-CB 4.25Å
968	S	34.4	Very low	46.1	Very low	94 Å²	94	47 Å²	47	66%	0.657	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.8	-173.4	55.3	0	0	0	0	115.3	N855 G970	N855-S968 PolarHBondContact ND2-O 3.21Å; S968-G970 PolarHBondContact O-N 3.45Å
969	N	40.2	Very low	46.8	Very low	66 Å²	66	39.5 Å²	39.5	35%	0.353	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.7	170.5	66.8	-6.5	0	0	0	113.4	P967 D971	P967-N969 WeakPolarHBondContact CB-OD1 3.49Å; P967-N969 WeakPolarHBondContact CG-OD1 3.49Å; P967-N969 PolarHBondContact O-N 2.59Å; P967-N969 PolarHBondContact O-OD1 2.94Å; N969-D971 PolarHBondContact ND2-OD2 3.46Å; N969-D971 PolarHBondContact OD1-N 2.86Å; N969-D971 VanDerWaalsContact OD1-N 3.11Å
970	G	42.6	Very low	47.9	Very low	5 Å²	5	39.1 Å²	39.1	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	97.3	-10.1	178.5	0	0	0	0	0	114.7	P967 S968 Y985	P967-G970 PolarHBondContact O-N 2.92Å; S968-G970 PolarHBondContact O-N 3.45Å; G970-Y985 WeakPolarHBondContact O-CB 3.49Å
971	D	47.9	Very low	48.9	Very low	13 Å²	13	35.9 Å²	35.9	7%	0.07	20%	0.198	C	C	.	.			trans	-67.3	154.3	-176.3	-60.5	-25	0	0	0	111.4	P967 N969 L982 L983 H984 Y985	P967-D971 WeakPolarHBondContact CD-O 3.5Å; P967-D971 HydrophobicContact CG-CB 4.25Å; N969-D971 PolarHBondContact ND2-OD2 3.46Å; N969-D971 PolarHBondContact OD1-N 2.86Å; N969-D971 VanDerWaalsContact OD1-N 3.11Å; D971-L982 HydrophobicContact CB-CD1 4.48Å; D971-L983 WeakPolarHBondContact CA-O 3.28Å; D971-H984 VanDerWaalsContact OD1-CA 3.22Å; D971-H984 WeakPolarHBondContact OD1-CA 3.11Å; D971-H984 IonicContact OD1-ND1 2.62Å; D971-H984 PolarHBondContact OD1-ND1 3.06Å; D971-H984 IonicContact OD2-CE1 3.75Å; D971-H984 PolarHBondContact OD2-CE1 2.81Å; D971-H984 IonicContact OD2-CG 3.89Å; D971-H984 IonicContact OD2-ND1 3.2Å; D971-H984 PolarHBondContact OD2-ND1 3.12Å; D971-Y985 PolarHBondContact OD1-N 2.65Å
972	I	52.7	Low	49.7	Very low	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.8	-170	-43.1	124.6	0	0	0	110	L853 L874 L983 L988	L853-I972 HydrophobicContact CD1-CD1 3.61Å; L853-I972 HydrophobicContact CD1-CG1 3.66Å; L853-I972 HydrophobicContact CD2-CG1 3.88Å; L853-I972 HydrophobicContact CG-CG1 4.43Å; L874-I972 HydrophobicContact CD1-CD1 4.05Å; I972-L983 HydrophobicContact CB-CB 4.17Å; I972-L983 HydrophobicContact CB-CD1 4.46Å; I972-L983 HydrophobicContact CD1-CB 3.9Å; I972-L983 PolarHBondContact N-O 3.05Å; I972-L983 PolarHBondContact O-N 3.04Å; I972-L988 HydrophobicContact CD1-CD1 4.31Å
973	L	52.1	Low	50.5	Low	14 Å²	14	31.5 Å²	31.5	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.9	179.5	-147.6	139.6	0	0	0	110	V964 S965 I980 L982 C1041	V964-L973 HydrophobicContact CB-CB 4.49Å; V964-L973 HydrophobicContact CB-CD2 3.62Å; V964-L973 HydrophobicContact CG1-CD2 3.77Å; V964-L973 HydrophobicContact CG2-CD2 4.29Å; V964-L973 PolarHBondContact N-O 2.76Å; S965-L973 PolarHBondContact O-N 3.46Å; S965-L973 WeakPolarHBondContact OG-CB 3.44Å; L973-I980 HydrophobicContact CD2-CG2 3.49Å; L973-I980 VanDerWaalsContact CD2-CG2 3.49Å; L973-I980 HydrophobicContact CG-CG2 3.98Å; L973-L982 HydrophobicContact CD1-CD1 4.07Å; L973-L982 HydrophobicContact CG-CD1 4.49Å; L973-C1041 WeakPolarHBondContact CD1-SG 3.42Å
974	L	57.9	Low	51.2	Low	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.5	-165.7	-175.3	165.1	0	0	0	108.9	I876 I976 Y981 L983	I876-L974 HydrophobicContact CD1-CD1 3.98Å; L974-I976 HydrophobicContact CD2-CD1 3.92Å; L974-I976 HydrophobicContact CD2-CG1 3.61Å; L974-Y981 HydrophobicContact CD2-CD2 4.4Å; L974-Y981 PolarHBondContact N-O 3.22Å; L974-Y981 WeakPolarHBondContact O-CB 3.37Å; L974-Y981 PolarHBondContact O-N 3Å; L974-L983 HydrophobicContact CD1-CD1 4.19Å
975	T	55.4	Low	51.7	Low	11 Å²	11	30.8 Å²	30.8	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.5	173	41.7	0	0	0	0	112	C961 R962 V964 S979 I980	C961-T975 VanDerWaalsContact CA-O 3.24Å; C961-T975 WeakPolarHBondContact CA-O 3.48Å; C961-T975 PolarHBondContact SG-O 2.79Å; R962-T975 WeakPolarHBondContact CB-OG1 3.01Å; R962-T975 PolarHBondContact N-O 3.18Å; R962-T975 VanDerWaalsContact N-O 3.08Å; R962-T975 PolarHBondContact O-N 3.09Å; R962-T975 PolarHBondContact O-OG1 2.76Å; R962-T975 VanDerWaalsContact O-OG1 3.11Å; V964-T975 HydrophobicContact CG2-CG2 3.74Å; V964-T975 WeakPolarHBondContact CG2-OG1 3.06Å; T975-S979 CarbonylContact C-O 3.58Å; T975-S979 VanDerWaalsContact CA-O 3.28Å; T975-S979 WeakPolarHBondContact CA-O 3.09Å; T975-I980 HydrophobicContact CG2-CB 4.36Å; T975-I980 HydrophobicContact CG2-CG1 3.73Å
976	I	56.5	Low	52.1	Low	3 Å²	3	35.9 Å²	35.9	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	113.8	164.9	-53.9	179.9	0	0	0	106.8	L886 L948 V960 C961 L974 N978 S979 Y981	L886-I976 HydrophobicContact CD1-CD1 4.37Å; L886-I976 HydrophobicContact CD1-CG2 4.29Å; L948-I976 HydrophobicContact CD1-CD1 3.63Å; V960-I976 WeakPolarHBondContact O-CA 2.95Å; C961-I976 HydrophobicContact CB-CG1 4.45Å; L974-I976 HydrophobicContact CD2-CD1 3.92Å; L974-I976 HydrophobicContact CD2-CG1 3.61Å; I976-N978 PolarHBondContact O-N 3.04Å; I976-S979 PolarHBondContact N-O 3.5Å; I976-S979 WeakPolarHBondContact O-CB 3.5Å; I976-S979 PolarHBondContact O-N 3.11Å; I976-Y981 HydrophobicContact CB-CE2 4.06Å; I976-Y981 HydrophobicContact CD1-CE2 4.19Å; I976-Y981 HydrophobicContact CG1-CD2 4.39Å; I976-Y981 HydrophobicContact CG1-CE2 4.12Å
977	N	60.7	Low	52.5	Low	59 Å²	59	33.5 Å²	33.5	32%	0.316	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-121.1	-170.9	-58.9	-27	0	0	0	110.7	A959 V960 S979	A959-N977 WeakPolarHBondContact CA-OD1 3.14Å; V960-N977 PolarHBondContact N-OD1 3.4Å; V960-N977 PolarHBondContact O-N 2.99Å; N977-S979 VanDerWaalsContact C-N 3.32Å; N977-S979 PolarHBondContact O-N 2.76Å
978	N	57.3	Low	53	Low	76 Å²	76	32 Å²	32	41%	0.406	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.1	-177.7	-58.7	12.9	0	0	0	113.4	I976 E1023 W1024 I1026	I976-N978 PolarHBondContact O-N 3.04Å; N978-E1023 CarbonylContact O-C 3.57Å; N978-E1023 WeakPolarHBondContact O-CA 3.29Å; N978-W1024 PolarHBondContact O-N 3.12Å; N978-I1026 WeakPolarHBondContact OD1-CG1 3.34Å
979	S	51.8	Low	53.6	Low	2 Å²	2	30 Å²	30	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.5	-175.4	-67.8	0	0	0	0	112.2	T975 I976 N977 K1021 E1023	T975-S979 CarbonylContact C-O 3.58Å; T975-S979 VanDerWaalsContact CA-O 3.28Å; T975-S979 WeakPolarHBondContact CA-O 3.09Å; I976-S979 PolarHBondContact N-O 3.5Å; I976-S979 WeakPolarHBondContact O-CB 3.5Å; I976-S979 PolarHBondContact O-N 3.11Å; N977-S979 VanDerWaalsContact C-N 3.32Å; N977-S979 PolarHBondContact O-N 2.76Å; S979-K1021 WeakPolarHBondContact OG-CE 3.4Å; S979-E1023 WeakPolarHBondContact OG-CG 3.07Å
980	I	58.9	Low	53.9	Low	16 Å²	16	34.5 Å²	34.5	8%	0.082	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.6	167.1	-56.4	178	0	0	0	109	L973 T975 K1021 R1022 W1024 L1029	L973-I980 HydrophobicContact CD2-CG2 3.49Å; L973-I980 VanDerWaalsContact CD2-CG2 3.49Å; L973-I980 HydrophobicContact CG-CG2 3.98Å; T975-I980 HydrophobicContact CG2-CB 4.36Å; T975-I980 HydrophobicContact CG2-CG1 3.73Å; I980-K1021 CarbonylContact O-C 3.58Å; I980-K1021 VanDerWaalsContact O-CA 3.31Å; I980-K1021 WeakPolarHBondContact O-CA 2.95Å; I980-R1022 PolarHBondContact N-O 3.26Å; I980-R1022 PolarHBondContact O-N 3.19Å; I980-W1024 HydrophobicContact CD1-CB 4.45Å; I980-W1024 VanDerWaalsContact CD1-CD1 3.48Å; I980-W1024 HydrophobicContact CD1-CD2 3.84Å; I980-W1024 HydrophobicContact CD1-CG 3.7Å; I980-W1024 HydrophobicContact CG1-CG 4.32Å; I980-L1029 HydrophobicContact CD1-CD2 4.18Å
981	Y	59.6	Low	54.1	Low	3 Å²	3	37.4 Å²	37.4	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.7	171.4	-60.6	-100.4	0	0	0	109.2	P949 L974 I976 I1019 R1020 K1021	P949-Y981 HydrophobicContact CG-CE1 4Å; P949-Y981 PolarHBondContact O-OH 2.8Å; L974-Y981 HydrophobicContact CD2-CD2 4.4Å; L974-Y981 PolarHBondContact N-O 3.22Å; L974-Y981 WeakPolarHBondContact O-CB 3.37Å; L974-Y981 PolarHBondContact O-N 3Å; I976-Y981 HydrophobicContact CB-CE2 4.06Å; I976-Y981 HydrophobicContact CD1-CE2 4.19Å; I976-Y981 HydrophobicContact CG1-CD2 4.39Å; I976-Y981 HydrophobicContact CG1-CE2 4.12Å; Y981-I1019 HydrophobicContact CD1-CG2 4.08Å; Y981-R1020 WeakPolarHBondContact CA-O 3.23Å; Y981-K1021 HydrophobicContact CD1-CB 4.41Å; Y981-K1021 HydrophobicContact CE1-CB 4.32Å; Y981-K1021 HydrophobicContact CE1-CD 4.35Å; Y981-K1021 HydrophobicContact CE1-CG 4.13Å
982	L	61	Low	53.6	Low	32 Å²	32	38.1 Å²	38.1	17%	0.168	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.3	170.2	179.8	74.4	0	0	0	109.5	D971 L973 I1019 R1020	D971-L982 HydrophobicContact CB-CD1 4.48Å; L973-L982 HydrophobicContact CD1-CD1 4.07Å; L973-L982 HydrophobicContact CG-CD1 4.49Å; L982-I1019 WeakPolarHBondContact O-CA 3.39Å; L982-R1020 HydrophobicContact CB-CB 4.32Å; L982-R1020 PolarHBondContact N-O 3.26Å; L982-R1020 PolarHBondContact O-N 3.05Å
983	L	59.5	Low	52.9	Low	2 Å²	2	46.9 Å²	46.9	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.9	178.6	-71.9	150	0	0	0	109.4	L888 D971 I972 L974 L988 I1019	L888-L983 HydrophobicContact CD2-CD1 3.96Å; L888-L983 HydrophobicContact CD2-CD2 4.01Å; D971-L983 WeakPolarHBondContact CA-O 3.28Å; I972-L983 HydrophobicContact CB-CB 4.17Å; I972-L983 HydrophobicContact CB-CD1 4.46Å; I972-L983 HydrophobicContact CD1-CB 3.9Å; I972-L983 PolarHBondContact N-O 3.05Å; I972-L983 PolarHBondContact O-N 3.04Å; L974-L983 HydrophobicContact CD1-CD1 4.19Å; L983-L988 HydrophobicContact CB-CD1 4.27Å; L983-L988 HydrophobicContact CD2-CD1 4.45Å; L983-I1019 HydrophobicContact CD2-CD1 4.3Å; L983-I1019 HydrophobicContact CD2-CG1 3.95Å
984	H	59.9	Low	52.1	Low	38 Å²	38	49.4 Å²	49.4	18%	0.176	23%	0.227	C	C	.	.			trans	-84.3	118.9	-179.5	-77.8	-65	0	0	0	112.5	D971 T987 L988 V1018	D971-H984 VanDerWaalsContact OD1-CA 3.22Å; D971-H984 WeakPolarHBondContact OD1-CA 3.11Å; D971-H984 IonicContact OD1-ND1 2.62Å; D971-H984 PolarHBondContact OD1-ND1 3.06Å; D971-H984 IonicContact OD2-CE1 3.75Å; D971-H984 PolarHBondContact OD2-CE1 2.81Å; D971-H984 IonicContact OD2-CG 3.89Å; D971-H984 IonicContact OD2-ND1 3.2Å; D971-H984 PolarHBondContact OD2-ND1 3.12Å; H984-T987 WeakPolarHBondContact CB-OG1 3.37Å; H984-T987 WeakPolarHBondContact O-CB 3.15Å; H984-T987 PolarHBondContact O-N 3.46Å; H984-L988 WeakPolarHBondContact O-CB 3.35Å; H984-L988 WeakPolarHBondContact O-CG 3.38Å; H984-L988 PolarHBondContact O-N 3.26Å; H984-V1018 PolarHBondContact N-O 2.82Å
985	Y	53.8	Low	50.9	Low	50 Å²	50	54.2 Å²	54.2	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-69.6	-47.1	-175	171.3	-85.9	0	0	0	113	I872 G970 D971 T987 L988 N989	I872-Y985 HydrophobicContact CD1-CD2 3.95Å; I872-Y985 HydrophobicContact CD1-CE2 3.5Å; I872-Y985 VanDerWaalsContact CD1-CE2 3.5Å; I872-Y985 HydrophobicContact CG1-CE2 4.09Å; G970-Y985 WeakPolarHBondContact O-CB 3.49Å; D971-Y985 PolarHBondContact OD1-N 2.65Å; Y985-T987 PolarHBondContact O-N 3.04Å; Y985-T987 VanDerWaalsContact O-N 3.16Å; Y985-L988 PolarHBondContact O-N 2.66Å; Y985-N989 WeakPolarHBondContact O-CB 3.27Å; Y985-N989 PolarHBondContact O-N 3.03Å
986	K	49.5	Very low	49.8	Very low	138 Å²	138	57.7 Å²	57.7	60%	0.6	27%	0.269	S	S	*	.	H	α-helix	trans	-59.9	-28.5	175.4	-69	-172.5	178.2	-175.7	0	112.2	K990	K986-K990 PolarHBondContact O-N 3.23Å
987	T	50.9	Low	48.5	Very low	38 Å²	38	64.7 Å²	64.7	23%	0.233	30%	0.297	C	S	.	.	H	α-helix	trans	-80.6	-46.9	179	-50.8	0	0	0	0	110.8	H984 Y985 N989 K990 Y991 V1018	H984-T987 WeakPolarHBondContact CB-OG1 3.37Å; H984-T987 WeakPolarHBondContact O-CB 3.15Å; H984-T987 PolarHBondContact O-N 3.46Å; Y985-T987 PolarHBondContact O-N 3.04Å; Y985-T987 VanDerWaalsContact O-N 3.16Å; T987-N989 VanDerWaalsContact C-N 3.34Å; T987-N989 PolarHBondContact O-N 3.13Å; T987-K990 PolarHBondContact O-N 3.05Å; T987-Y991 HydrophobicContact CG2-CD2 3.79Å; T987-Y991 HydrophobicContact CG2-CE2 3.51Å; T987-Y991 WeakPolarHBondContact O-CD2 3.42Å; T987-Y991 PolarHBondContact O-N 3.06Å; T987-V1018 HydrophobicContact CG2-CG2 3.93Å
988	L	50.6	Low	47.1	Very low	8 Å²	8	63.9 Å²	63.9	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-53.5	-48.9	171.8	-80.4	163.3	0	0	0	111.6	I972 L983 H984 Y985 K990 Y991 F992 V1018	I972-L988 HydrophobicContact CD1-CD1 4.31Å; L983-L988 HydrophobicContact CB-CD1 4.27Å; L983-L988 HydrophobicContact CD2-CD1 4.45Å; H984-L988 WeakPolarHBondContact O-CB 3.35Å; H984-L988 WeakPolarHBondContact O-CG 3.38Å; H984-L988 PolarHBondContact O-N 3.26Å; Y985-L988 PolarHBondContact O-N 2.66Å; L988-K990 PolarHBondContact O-N 3.4Å; L988-Y991 PolarHBondContact O-N 2.92Å; L988-F992 HydrophobicContact CB-CE2 4.4Å; L988-F992 HydrophobicContact CB-CZ 3.95Å; L988-F992 WeakPolarHBondContact O-CD2 3.5Å; L988-F992 WeakPolarHBondContact O-CG 3.33Å; L988-F992 PolarHBondContact O-N 2.92Å; L988-F992 VanDerWaalsContact O-N 3.12Å; L988-V1018 HydrophobicContact CD2-CG1 4Å; L988-V1018 HydrophobicContact CG-CG1 4.23Å
989	N	46.4	Very low	45.9	Very low	52 Å²	52	64.8 Å²	64.8	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-43.7	179.1	-166.2	-64.7	0	0	0	112	E870 Y985 T987 Y991 F992	E870-N989 PolarHBondContact OE2-ND2 2.94Å; Y985-N989 WeakPolarHBondContact O-CB 3.27Å; Y985-N989 PolarHBondContact O-N 3.03Å; T987-N989 VanDerWaalsContact C-N 3.34Å; T987-N989 PolarHBondContact O-N 3.13Å; N989-Y991 VanDerWaalsContact C-N 3.26Å; N989-Y991 PolarHBondContact O-N 2.92Å; N989-F992 HydrophobicContact CB-CD2 4.5Å; N989-F992 HydrophobicContact CB-CE2 4.44Å; N989-F992 PolarHBondContact O-N 2.94Å
990	K	47.2	Very low	45	Very low	161 Å²	161	69.6 Å²	69.6	70%	0.7	32%	0.322	S	S	*	.	H	α-helix	trans	-58.9	-32	171.1	-88.6	-172.6	174.2	-178.8	0	113.6	K986 T987 L988	K986-K990 PolarHBondContact O-N 3.23Å; T987-K990 PolarHBondContact O-N 3.05Å; L988-K990 PolarHBondContact O-N 3.4Å
991	Y	45.9	Very low	43.7	Very low	65 Å²	65	73.2 Å²	73.2	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-87.5	-14.2	-177.6	-78.1	-63.8	0	0	0	115.3	T987 L988 N989 R993 L994 I1014 V1018	T987-Y991 HydrophobicContact CG2-CD2 3.79Å; T987-Y991 HydrophobicContact CG2-CE2 3.51Å; T987-Y991 WeakPolarHBondContact O-CD2 3.42Å; T987-Y991 PolarHBondContact O-N 3.06Å; L988-Y991 PolarHBondContact O-N 2.92Å; N989-Y991 VanDerWaalsContact C-N 3.26Å; N989-Y991 PolarHBondContact O-N 2.92Å; Y991-R993 PolarHBondContact O-N 3.02Å; Y991-L994 HydrophobicContact CD1-CD1 3.55Å; Y991-L994 HydrophobicContact CE1-CD1 3.88Å; Y991-L994 WeakPolarHBondContact O-CB 3.32Å; Y991-L994 PolarHBondContact O-N 3.13Å; Y991-I1014 HydrophobicContact CE1-CG2 3.66Å; Y991-I1014 WeakPolarHBondContact OH-CG2 3.36Å; Y991-V1018 HydrophobicContact CD2-CG2 3.63Å; Y991-V1018 HydrophobicContact CE2-CG2 3.54Å
992	F	38.5	Very low	42.4	Very low	29 Å²	29	78.2 Å²	78.2	13%	0.127	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-30.6	178.1	-62.7	-43.9	0	0	0	113.4	I872 V890 I943 L988 N989 L994	I872-F992 HydrophobicContact CD1-CE2 3.6Å; I872-F992 HydrophobicContact CD1-CZ 3.98Å; V890-F992 HydrophobicContact CG1-CE1 3.88Å; V890-F992 HydrophobicContact CG1-CZ 3.78Å; I943-F992 HydrophobicContact CB-CD1 3.97Å; I943-F992 HydrophobicContact CB-CE1 4.18Å; I943-F992 HydrophobicContact CB-CG 4.48Å; I943-F992 HydrophobicContact CD1-CD1 4.12Å; I943-F992 HydrophobicContact CD1-CD2 3.98Å; I943-F992 HydrophobicContact CD1-CE1 3.9Å; I943-F992 HydrophobicContact CD1-CE2 3.77Å; I943-F992 HydrophobicContact CD1-CG 4.19Å; I943-F992 HydrophobicContact CD1-CZ 3.74Å; I943-F992 HydrophobicContact CG2-CB 3.8Å; I943-F992 HydrophobicContact CG2-CD1 3.52Å; I943-F992 HydrophobicContact CG2-CD2 4.4Å; I943-F992 HydrophobicContact CG2-CE1 4.22Å; I943-F992 HydrophobicContact CG2-CG 3.66Å; L988-F992 HydrophobicContact CB-CE2 4.4Å; L988-F992 HydrophobicContact CB-CZ 3.95Å; L988-F992 WeakPolarHBondContact O-CD2 3.5Å; L988-F992 WeakPolarHBondContact O-CG 3.33Å; L988-F992 PolarHBondContact O-N 2.92Å; L988-F992 VanDerWaalsContact O-N 3.12Å; N989-F992 HydrophobicContact CB-CD2 4.5Å; N989-F992 HydrophobicContact CB-CE2 4.44Å; N989-F992 PolarHBondContact O-N 2.94Å; F992-L994 PolarHBondContact O-N 3.4Å; F992-L994 VanDerWaalsContact O-N 3.15Å
993	R	37.2	Very low	41	Very low	186 Å²	186	82.4 Å²	82.4	70%	0.702	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.5	172.7	-72.3	-175.1	169.8	-121.6	-14.2	114.5	Y991	Y991-R993 PolarHBondContact O-N 3.02Å
994	L	35	Very low	39.8	Very low	67 Å²	67	92.5 Å²	92.5	35%	0.351	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.4	-177.2	-82.4	156.8	0	0	0	114.1	Y991 F992 S996 Y997 L998	Y991-L994 HydrophobicContact CD1-CD1 3.55Å; Y991-L994 HydrophobicContact CE1-CD1 3.88Å; Y991-L994 WeakPolarHBondContact O-CB 3.32Å; Y991-L994 PolarHBondContact O-N 3.13Å; F992-L994 PolarHBondContact O-N 3.4Å; F992-L994 VanDerWaalsContact O-N 3.15Å; L994-S996 VanDerWaalsContact C-N 3.31Å; L994-S996 PolarHBondContact O-N 3.22Å; L994-Y997 HydrophobicContact CD2-CG 4.2Å; L994-Y997 CarbonylContact O-C 3.51Å; L994-Y997 WeakPolarHBondContact O-CA 3.46Å; L994-Y997 PolarHBondContact O-N 2.93Å; L994-L998 HydrophobicContact CB-CD1 4.13Å; L994-L998 HydrophobicContact CB-CG 4.46Å; L994-L998 PolarHBondContact O-N 3.49Å
995	R	33.4	Very low	38.2	Very low	103 Å²	103	94.2 Å²	94.2	39%	0.389	44%	0.443	S	S	.	.	H	α-helix	trans	-53.1	-41.9	-175.2	-163.8	178.3	-172.7	166.4	9	113.9	L942 I943 Y997 L999	L942-R995 VanDerWaalsContact O-CZ 3.28Å; L942-R995 PolarHBondContact O-NH1 3.43Å; L942-R995 PolarHBondContact O-NH2 2.92Å; I943-R995 WeakPolarHBondContact O-CD 3.18Å; I943-R995 PolarHBondContact O-NE 3.34Å; I943-R995 VanDerWaalsContact O-NE 3.09Å; I943-R995 PolarHBondContact O-NH1 2.87Å; I943-R995 PolarHBondContact O-NH2 2.6Å; R995-Y997 VanDerWaalsContact C-N 3.35Å; R995-Y997 PolarHBondContact O-N 3.08Å; R995-L999 HydrophobicContact CG-CD1 4.28Å; R995-L999 PolarHBondContact O-N 2.68Å
996	S	31.9	Very low	37	Very low	84 Å²	84	98.7 Å²	98.7	59%	0.587	47%	0.468	S	S	*	.	H	α-helix	trans	-66.9	-29.6	175.9	50	0	0	0	0	114.1	L994 N1000	L994-S996 VanDerWaalsContact C-N 3.31Å; L994-S996 PolarHBondContact O-N 3.22Å; S996-N1000 PolarHBondContact O-ND2 2.77Å
997	Y	29.1	Very low	35.9	Very low	150 Å²	150	100.8 Å²	100.8	59%	0.588	48%	0.48	S	S	*	.	H	α-helix	trans	-84	-37.8	175.8	-109.6	-93.6	0	0	0	112.4	L994 R995 N1000 L1001	L994-Y997 HydrophobicContact CD2-CG 4.2Å; L994-Y997 CarbonylContact O-C 3.51Å; L994-Y997 WeakPolarHBondContact O-CA 3.46Å; L994-Y997 PolarHBondContact O-N 2.93Å; R995-Y997 VanDerWaalsContact C-N 3.35Å; R995-Y997 PolarHBondContact O-N 3.08Å; Y997-N1000 PolarHBondContact O-N 2.82Å; Y997-L1001 PolarHBondContact O-N 3.12Å
998	L	31.4	Very low	34.8	Very low	41 Å²	41	106.5 Å²	106.5	22%	0.215	51%	0.509	C	S	.	.	H	α-helix	trans	-68	-39.9	-178.4	-86.9	162.8	0	0	0	112.5	L994 N1000 L1001 M1002	L994-L998 HydrophobicContact CB-CD1 4.13Å; L994-L998 HydrophobicContact CB-CG 4.46Å; L994-L998 PolarHBondContact O-N 3.49Å; L998-N1000 VanDerWaalsContact C-N 3.33Å; L998-N1000 PolarHBondContact O-N 2.82Å; L998-L1001 PolarHBondContact O-N 2.87Å; L998-M1002 WeakPolarHBondContact O-CG 3.49Å; L998-M1002 PolarHBondContact O-N 2.98Å
999	L	32.2	Very low	33.7	Very low	96 Å²	96	116 Å²	116	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-41.8	170.8	-93.2	132.5	0	0	0	111.9	R995 L1001 N1003	R995-L999 HydrophobicContact CG-CD1 4.28Å; R995-L999 PolarHBondContact O-N 2.68Å; L999-L1001 VanDerWaalsContact C-N 3.32Å; L999-L1001 PolarHBondContact O-N 2.85Å; L999-N1003 VanDerWaalsContact O-CB 3.32Å; L999-N1003 WeakPolarHBondContact O-CB 3.44Å; L999-N1003 VanDerWaalsContact O-CG 3.22Å; L999-N1003 PolarHBondContact O-N 3.42Å; L999-N1003 VanDerWaalsContact O-N 3.11Å; L999-N1003 PolarHBondContact O-ND2 3.42Å
1000	N	32.9	Very low	32.7	Very low	103 Å²	103	121.9 Å²	121.9	55%	0.551	58%	0.578	S	S	*	*	H	α-helix	trans	-69.1	-25.5	175.4	-84.5	-58.4	0	0	0	114.1	S996 Y997 L998 R1004	S996-N1000 PolarHBondContact O-ND2 2.77Å; Y997-N1000 PolarHBondContact O-N 2.82Å; L998-N1000 VanDerWaalsContact C-N 3.33Å; L998-N1000 PolarHBondContact O-N 2.82Å; N1000-R1004 WeakPolarHBondContact O-CG 3.16Å
1001	L	31.8	Very low	32	Very low	91 Å²	91	118.5 Å²	118.5	48%	0.476	57%	0.567	S	S	.	*	H	α-helix	trans	-79.3	-47.2	174.5	-89.6	156.5	0	0	0	112.1	Y997 L998 L999 N1003 R1004	Y997-L1001 PolarHBondContact O-N 3.12Å; L998-L1001 PolarHBondContact O-N 2.87Å; L999-L1001 VanDerWaalsContact C-N 3.32Å; L999-L1001 PolarHBondContact O-N 2.85Å; L1001-N1003 VanDerWaalsContact C-N 3.32Å; L1001-N1003 PolarHBondContact O-N 3.06Å; L1001-R1004 PolarHBondContact O-N 2.8Å; L1001-R1004 VanDerWaalsContact O-N 3.1Å
1002	M	31.5	Very low	31.6	Very low	109 Å²	109	118.2 Å²	118.2	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-65.3	-36.2	179	-62.9	-152.6	-51.3	0	0	112	L998 R1004 S1005	L998-M1002 WeakPolarHBondContact O-CG 3.49Å; L998-M1002 PolarHBondContact O-N 2.98Å; M1002-R1004 PolarHBondContact O-N 2.9Å; M1002-S1005 PolarHBondContact O-N 3.43Å; M1002-S1005 PolarHBondContact O-OG 2.89Å
1003	N	33.7	Very low	31.5	Very low	120 Å²	120	123.9 Å²	123.9	64%	0.642	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-3.6	174.5	-73.2	-12.8	0	0	0	114.4	L999 L1001	L999-N1003 VanDerWaalsContact O-CB 3.32Å; L999-N1003 WeakPolarHBondContact O-CB 3.44Å; L999-N1003 VanDerWaalsContact O-CG 3.22Å; L999-N1003 PolarHBondContact O-N 3.42Å; L999-N1003 VanDerWaalsContact O-N 3.11Å; L999-N1003 PolarHBondContact O-ND2 3.42Å; L1001-N1003 VanDerWaalsContact C-N 3.32Å; L1001-N1003 PolarHBondContact O-N 3.06Å
1004	R	32.3	Very low	31.6	Very low	214 Å²	214	118.8 Å²	118.8	81%	0.808	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-12.6	176.7	-72.1	-178.8	178.8	-166.1	2.1	114.5	N1000 L1001 M1002	N1000-R1004 WeakPolarHBondContact O-CG 3.16Å; L1001-R1004 PolarHBondContact O-N 2.8Å; L1001-R1004 VanDerWaalsContact O-N 3.1Å; M1002-R1004 PolarHBondContact O-N 2.9Å
1005	S	26.9	Very low	31.7	Very low	74 Å²	74	117.6 Å²	117.6	52%	0.517	58%	0.579	S	S	.	*			trans	-108.4	75.8	-175.2	59.6	0	0	0	0	112.3	M1002	M1002-S1005 PolarHBondContact O-N 3.43Å; M1002-S1005 PolarHBondContact O-OG 2.89Å
1006	I	28.1	Very low	32.1	Very low	143 Å²	143	117 Å²	117	73%	0.733	58%	0.581	S	S	*	*			trans	-84.2	-9.6	178.9	-70.7	173.9	0	0	0	112.6
1007	E	26.9	Very low	32.6	Very low	183 Å²	183	117.1 Å²	117.1	86%	0.855	58%	0.575	S	S	*	*	S	Bend	trans	-99.7	126.9	-174.4	-65.6	-167.5	161.2	0	0	114.4	K1009	E1007-K1009 PolarHBondContact O-N 2.9Å; E1007-K1009 VanDerWaalsContact O-N 3.17Å
1008	N	27.3	Very low	33.4	Very low	157 Å²	157	110.3 Å²	110.3	84%	0.84	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	109.9	175.2	-66.8	-59.9	0	0	0	112.3
1009	K	28.1	Very low	34.2	Very low	209 Å²	209	109.9 Å²	109.9	91%	0.909	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.5	-17	136.1	-96.7	159.4	-175.6	176.6	0	116.1	E1007	E1007-K1009 PolarHBondContact O-N 2.9Å; E1007-K1009 VanDerWaalsContact O-N 3.17Å
1010	M	25.3	Very low	35.2	Very low	174 Å²	174	111.5 Å²	111.5	86%	0.857	55%	0.546	S	S	*	.			trans	-114.3	111.6	-178.7	-76.4	-171.4	168.9	0	0	112.8	P1012	M1010-P1012 WeakPolarHBondContact O-CD 3.36Å
1011	I	33.7	Very low	36.2	Very low	91 Å²	91	110.4 Å²	110.4	47%	0.467	54%	0.536	S	S	.	.			trans	-57.9	123.3	147.3	-60	172.9	0	0	0	105.6	H1013 L1015 Q1016	I1011-H1013 PolarHBondContact O-N 3.1Å; I1011-L1015 HydrophobicContact CG2-CB 3.54Å; I1011-Q1016 HydrophobicContact CB-CG 4.17Å; I1011-Q1016 HydrophobicContact CG2-CG 3.88Å
1012	P	35.7	Very low	37.3	Very low	58 Å²	58	113.6 Å²	113.6	38%	0.377	54%	0.542	S	S	.	.			trans	-52.1	140	176.1	-27.4	34.6	0	0	0	110.6	M1010 I1014 L1015 Q1016	M1010-P1012 WeakPolarHBondContact O-CD 3.36Å; P1012-I1014 HydrophobicContact CB-CB 4.41Å; P1012-I1014 PolarHBondContact O-N 3.26Å; P1012-L1015 HydrophobicContact CG-CD1 4.34Å; P1012-L1015 PolarHBondContact O-N 2.86Å; P1012-Q1016 PolarHBondContact O-N 3.11Å
1013	H	38.2	Very low	38	Very low	149 Å²	149	114.4 Å²	114.4	69%	0.69	54%	0.544	S	S	*	.	H	α-helix	trans	-51.8	-30.7	179.9	-116.5	-47.2	0	0	0	112.6	I1011 Q1016 N1017	I1011-H1013 PolarHBondContact O-N 3.1Å; H1013-Q1016 PolarHBondContact ND1-OE1 3.29Å; H1013-N1017 PolarHBondContact O-ND2 3.06Å
1014	I	37.4	Very low	39.1	Very low	79 Å²	79	111.4 Å²	111.4	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-54.3	-47.9	171.2	-58.8	176.3	0	0	0	112	Y991 P1012 N1017	Y991-I1014 HydrophobicContact CE1-CG2 3.66Å; Y991-I1014 WeakPolarHBondContact OH-CG2 3.36Å; P1012-I1014 HydrophobicContact CB-CB 4.41Å; P1012-I1014 PolarHBondContact O-N 3.26Å; I1014-N1017 PolarHBondContact O-N 3.05Å
1015	L	38.8	Very low	40.1	Very low	41 Å²	41	106.2 Å²	106.2	22%	0.215	51%	0.512	C	S	.	.	H	α-helix	trans	-79.8	-27.6	-177.5	-89.9	164.3	0	0	0	113.7	I1011 P1012 N1017 V1018 I1019	I1011-L1015 HydrophobicContact CG2-CB 3.54Å; P1012-L1015 HydrophobicContact CG-CD1 4.34Å; P1012-L1015 PolarHBondContact O-N 2.86Å; L1015-N1017 PolarHBondContact O-N 2.83Å; L1015-V1018 HydrophobicContact CD2-CB 4.29Å; L1015-V1018 HydrophobicContact CD2-CG2 4.39Å; L1015-V1018 WeakPolarHBondContact O-CB 3.34Å; L1015-V1018 PolarHBondContact O-N 2.87Å; L1015-I1019 PolarHBondContact O-N 3.37Å
1016	Q	42	Very low	40.8	Very low	90 Å²	90	106.6 Å²	106.6	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-61.7	-23.3	170.6	-69.9	-174.5	-20.7	0	0	112.8	I1011 P1012 H1013	I1011-Q1016 HydrophobicContact CB-CG 4.17Å; I1011-Q1016 HydrophobicContact CG2-CG 3.88Å; P1012-Q1016 PolarHBondContact O-N 3.11Å; H1013-Q1016 PolarHBondContact ND1-OE1 3.29Å
1017	N	42.5	Very low	41.7	Very low	87 Å²	87	103.9 Å²	103.9	47%	0.465	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.2	173	-66.1	-33.3	0	0	0	113.5	H1013 I1014 L1015	H1013-N1017 PolarHBondContact O-ND2 3.06Å; I1014-N1017 PolarHBondContact O-N 3.05Å; L1015-N1017 PolarHBondContact O-N 2.83Å
1018	V	45.8	Very low	42.7	Very low	7 Å²	7	96.3 Å²	96.3	4%	0.042	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-44.1	178	-174.9	0	0	0	0	111.3	H984 T987 L988 Y991 L1015	H984-V1018 PolarHBondContact N-O 2.82Å; T987-V1018 HydrophobicContact CG2-CG2 3.93Å; L988-V1018 HydrophobicContact CD2-CG1 4Å; L988-V1018 HydrophobicContact CG-CG1 4.23Å; Y991-V1018 HydrophobicContact CD2-CG2 3.63Å; Y991-V1018 HydrophobicContact CE2-CG2 3.54Å; L1015-V1018 HydrophobicContact CD2-CB 4.29Å; L1015-V1018 HydrophobicContact CD2-CG2 4.39Å; L1015-V1018 WeakPolarHBondContact O-CB 3.34Å; L1015-V1018 PolarHBondContact O-N 2.87Å
1019	I	47.2	Very low	43.6	Very low	32 Å²	32	91 Å²	91	16%	0.164	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.3	-175.6	-46.9	-177.9	0	0	0	109.5	L946 Y981 L982 L983 L1015	L946-I1019 HydrophobicContact CD1-CD1 4.45Å; Y981-I1019 HydrophobicContact CD1-CG2 4.08Å; L982-I1019 WeakPolarHBondContact O-CA 3.39Å; L983-I1019 HydrophobicContact CD2-CD1 4.3Å; L983-I1019 HydrophobicContact CD2-CG1 3.95Å; L1015-I1019 PolarHBondContact O-N 3.37Å
1020	R	53.3	Low	44.3	Very low	130 Å²	130	87.7 Å²	87.7	49%	0.491	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.1	171.9	-63.8	179.7	175.3	167.9	-1.3	110.4	Y981 L982	Y981-R1020 WeakPolarHBondContact CA-O 3.23Å; L982-R1020 HydrophobicContact CB-CB 4.32Å; L982-R1020 PolarHBondContact N-O 3.26Å; L982-R1020 PolarHBondContact O-N 3.05Å
1021	K	54.7	Low	45.1	Very low	80 Å²	80	87.4 Å²	87.4	35%	0.348	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	140.4	170.7	-174.2	-174.7	176	-166.8	0	110.3	Y950 S979 I980 Y981 E1023	Y950-K1021 PolarHBondContact O-NZ 3.12Å; S979-K1021 WeakPolarHBondContact OG-CE 3.4Å; I980-K1021 CarbonylContact O-C 3.58Å; I980-K1021 VanDerWaalsContact O-CA 3.31Å; I980-K1021 WeakPolarHBondContact O-CA 2.95Å; Y981-K1021 HydrophobicContact CD1-CB 4.41Å; Y981-K1021 HydrophobicContact CE1-CB 4.32Å; Y981-K1021 HydrophobicContact CE1-CD 4.35Å; Y981-K1021 HydrophobicContact CE1-CG 4.13Å; K1021-E1023 WeakPolarHBondContact CE-OE1 3.18Å; K1021-E1023 IonicContact NZ-OE1 2.82Å; K1021-E1023 PolarHBondContact NZ-OE1 3.16Å
1022	R	53.3	Low	45.6	Very low	158 Å²	158	86 Å²	86	60%	0.596	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.6	121.9	170.9	-151.4	172.7	-169.8	-174.7	3.7	110.4	I980	I980-R1022 PolarHBondContact N-O 3.26Å; I980-R1022 PolarHBondContact O-N 3.19Å
1023	E	47.5	Very low	45.8	Very low	127 Å²	127	87.6 Å²	87.6	59%	0.593	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.3	177.5	-76.9	169.5	-169	0	0	111.4	N978 S979 K1021	N978-E1023 CarbonylContact O-C 3.57Å; N978-E1023 WeakPolarHBondContact O-CA 3.29Å; S979-E1023 WeakPolarHBondContact OG-CG 3.07Å; K1021-E1023 WeakPolarHBondContact CE-OE1 3.18Å; K1021-E1023 IonicContact NZ-OE1 2.82Å; K1021-E1023 PolarHBondContact NZ-OE1 3.16Å
1024	W	56.4	Low	45.6	Very low	57 Å²	57	84.4 Å²	84.4	22%	0.216	40%	0.399	C	S	.	.			trans	-138.5	153	-169.8	-90	64.1	0	0	0	112.2	N978 I980 L1029 M1032 V1040	N978-W1024 PolarHBondContact O-N 3.12Å; I980-W1024 HydrophobicContact CD1-CB 4.45Å; I980-W1024 VanDerWaalsContact CD1-CD1 3.48Å; I980-W1024 HydrophobicContact CD1-CD2 3.84Å; I980-W1024 HydrophobicContact CD1-CG 3.7Å; I980-W1024 HydrophobicContact CG1-CG 4.32Å; W1024-L1029 HydrophobicContact CB-CD1 3.74Å; W1024-L1029 HydrophobicContact CB-CG 4.11Å; W1024-L1029 HydrophobicContact CE3-CG 4.15Å; W1024-M1032 HydrophobicContact CH2-CE 3.58Å; W1024-M1032 HydrophobicContact CH2-SD 3.56Å; W1024-M1032 VanDerWaalsContact CH2-SD 3.56Å; W1024-M1032 HydrophobicContact CZ3-CE 3.72Å; W1024-M1032 HydrophobicContact CZ3-CG 4.35Å; W1024-M1032 HydrophobicContact CZ3-SD 3.54Å; W1024-M1032 VanDerWaalsContact CZ3-SD 3.54Å; W1024-V1040 HydrophobicContact CH2-CG2 4.3Å; W1024-V1040 HydrophobicContact CZ2-CG1 4.31Å; W1024-V1040 HydrophobicContact CZ2-CG2 4.48Å
1025	N	53.6	Low	45.5	Very low	105 Å²	105	84.5 Å²	84.5	56%	0.561	40%	0.403	S	S	*	.			trans	-71.1	132.3	170.4	-176.2	-3.8	0	0	0	110	D1027 G1028 L1029	N1025-D1027 VanDerWaalsContact C-N 3.27Å; N1025-D1027 PolarHBondContact O-N 3.39Å; N1025-D1027 PolarHBondContact OD1-N 3.48Å; N1025-G1028 WeakPolarHBondContact O-CA 3.25Å; N1025-G1028 PolarHBondContact O-N 3.07Å; N1025-L1029 PolarHBondContact O-N 3.49Å
1026	I	42	Very low	45.7	Very low	82 Å²	82	84.7 Å²	84.7	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-54	-43.8	174.7	-61	167.8	0	0	0	110.7	N978 G1028 L1029 R1030	N978-I1026 WeakPolarHBondContact OD1-CG1 3.34Å; I1026-G1028 VanDerWaalsContact C-N 3.27Å; I1026-G1028 PolarHBondContact O-N 3.19Å; I1026-L1029 PolarHBondContact O-N 2.85Å; I1026-R1030 WeakPolarHBondContact O-CB 3.16Å; I1026-R1030 WeakPolarHBondContact O-CG 3.46Å; I1026-R1030 PolarHBondContact O-N 3.2Å
1027	D	45.9	Very low	45.6	Very low	85 Å²	85	81.9 Å²	81.9	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-70.7	-22.8	177.9	-71	-28.7	0	0	0	113.3	N1025 K1031	N1025-D1027 VanDerWaalsContact C-N 3.27Å; N1025-D1027 PolarHBondContact O-N 3.39Å; N1025-D1027 PolarHBondContact OD1-N 3.48Å; D1027-K1031 WeakPolarHBondContact O-CB 3.36Å; D1027-K1031 VanDerWaalsContact O-CD 3.26Å; D1027-K1031 WeakPolarHBondContact O-CD 3.42Å; D1027-K1031 WeakPolarHBondContact O-CG 3.42Å; D1027-K1031 PolarHBondContact O-N 2.85Å
1028	G	47.8	Very low	45.2	Very low	25 Å²	25	80.7 Å²	80.7	26%	0.258	39%	0.392	S	S	.	.	H	α-helix	trans	-74.4	-47.6	172.2	0	0	0	0	0	111	N1025 I1026 R1030 K1031 M1032	N1025-G1028 WeakPolarHBondContact O-CA 3.25Å; N1025-G1028 PolarHBondContact O-N 3.07Å; I1026-G1028 VanDerWaalsContact C-N 3.27Å; I1026-G1028 PolarHBondContact O-N 3.19Å; G1028-R1030 PolarHBondContact O-N 3.34Å; G1028-K1031 PolarHBondContact O-N 3.25Å; G1028-K1031 VanDerWaalsContact O-N 3.12Å; G1028-M1032 PolarHBondContact O-N 3.29Å
1029	L	45.6	Very low	44.7	Very low	44 Å²	44	86.3 Å²	86.3	23%	0.23	42%	0.419	C	S	.	.	H	α-helix	trans	-61.4	-40.1	174.3	-86	162.4	0	0	0	112.3	I980 W1024 N1025 I1026 K1031	I980-L1029 HydrophobicContact CD1-CD2 4.18Å; W1024-L1029 HydrophobicContact CB-CD1 3.74Å; W1024-L1029 HydrophobicContact CB-CG 4.11Å; W1024-L1029 HydrophobicContact CE3-CG 4.15Å; N1025-L1029 PolarHBondContact O-N 3.49Å; I1026-L1029 PolarHBondContact O-N 2.85Å; L1029-K1031 PolarHBondContact O-N 2.98Å
1030	R	44.2	Very low	44.5	Very low	141 Å²	141	87.5 Å²	87.5	53%	0.532	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.9	174.2	-79.4	-177.7	164.8	-174.6	-7.8	114.3	E841 I1026 G1028	E841-R1030 IonicContact OE1-CZ 3.8Å; E841-R1030 IonicContact OE1-NH2 3.96Å; E841-R1030 PolarHBondContact OE1-NH2 3.11Å; I1026-R1030 WeakPolarHBondContact O-CB 3.16Å; I1026-R1030 WeakPolarHBondContact O-CG 3.46Å; I1026-R1030 PolarHBondContact O-N 3.2Å; G1028-R1030 PolarHBondContact O-N 3.34Å
1031	K	42.5	Very low	43.5	Very low	168 Å²	168	83.4 Å²	83.4	73%	0.73	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-1.6	-176.6	-71.7	174.6	-171.7	171	0	114.4	D1027 G1028 L1029	D1027-K1031 WeakPolarHBondContact O-CB 3.36Å; D1027-K1031 VanDerWaalsContact O-CD 3.26Å; D1027-K1031 WeakPolarHBondContact O-CD 3.42Å; D1027-K1031 WeakPolarHBondContact O-CG 3.42Å; D1027-K1031 PolarHBondContact O-N 2.85Å; G1028-K1031 PolarHBondContact O-N 3.25Å; G1028-K1031 VanDerWaalsContact O-N 3.12Å; L1029-K1031 PolarHBondContact O-N 2.98Å
1032	M	44.1	Very low	42.3	Very low	60 Å²	60	86.3 Å²	86.3	30%	0.296	44%	0.438	S	S	.	.			trans	-88.6	129.3	176.3	-74.7	-152.9	158	0	0	111.9	W1024 G1028 T1036 L1037 V1040	W1024-M1032 HydrophobicContact CH2-CE 3.58Å; W1024-M1032 HydrophobicContact CH2-SD 3.56Å; W1024-M1032 VanDerWaalsContact CH2-SD 3.56Å; W1024-M1032 HydrophobicContact CZ3-CE 3.72Å; W1024-M1032 HydrophobicContact CZ3-CG 4.35Å; W1024-M1032 HydrophobicContact CZ3-SD 3.54Å; W1024-M1032 VanDerWaalsContact CZ3-SD 3.54Å; G1028-M1032 PolarHBondContact O-N 3.29Å; M1032-T1036 WeakPolarHBondContact CA-OG1 3.37Å; M1032-T1036 WeakPolarHBondContact CB-OG1 3.42Å; M1032-L1037 HydrophobicContact CB-CD2 4.31Å; M1032-L1037 HydrophobicContact CB-CG 4.09Å; M1032-L1037 HydrophobicContact SD-CD2 4.47Å; M1032-V1040 HydrophobicContact SD-CG2 4.47Å
1033	N	38.5	Very low	41	Very low	93 Å²	93	84.6 Å²	84.6	50%	0.497	44%	0.439	S	S	.	.			trans	-88	167.1	168.5	59.6	9.5	0	0	0	111	V1035 T1036 L1037	N1033-V1035 PolarHBondContact O-N 3.19Å; N1033-T1036 PolarHBondContact N-OG1 3.5Å; N1033-T1036 VanDerWaalsContact N-OG1 3.12Å; N1033-T1036 PolarHBondContact O-N 3Å; N1033-T1036 PolarHBondContact O-OG1 3.14Å; N1033-T1036 PolarHBondContact OD1-N 2.85Å; N1033-T1036 PolarHBondContact OD1-OG1 2.74Å; N1033-L1037 PolarHBondContact O-N 2.75Å
1034	D	33.7	Very low	40	Very low	82 Å²	82	90 Å²	90	44%	0.439	45%	0.454	S	S	.	.	H	α-helix	trans	-48.5	-37.6	178.3	-60.9	-8.5	0	0	0	113.2	F833 L1037 S1038	F833-D1034 VanDerWaalsContact CB-OD2 3.22Å; F833-D1034 WeakPolarHBondContact CB-OD2 3.26Å; D1034-L1037 PolarHBondContact O-N 3.22Å; D1034-S1038 VanDerWaalsContact O-CB 3.31Å; D1034-S1038 WeakPolarHBondContact O-CB 3.22Å; D1034-S1038 PolarHBondContact O-N 2.81Å; D1034-S1038 PolarHBondContact O-OG 3.1Å
1035	V	35.2	Very low	38.6	Very low	80 Å²	80	95.1 Å²	95.1	49%	0.485	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-51.9	178.4	-177.1	0	0	0	0	110.7	N1033 S1038 M1039	N1033-V1035 PolarHBondContact O-N 3.19Å; V1035-S1038 PolarHBondContact O-N 3.29Å; V1035-S1038 PolarHBondContact O-OG 2.98Å; V1035-M1039 HydrophobicContact CG1-CE 3.7Å; V1035-M1039 HydrophobicContact CG1-SD 4.29Å; V1035-M1039 WeakPolarHBondContact O-CG 3.46Å; V1035-M1039 PolarHBondContact O-N 3.39Å
1036	T	43.8	Very low	37.3	Very low	45 Å²	45	95.3 Å²	95.3	28%	0.276	49%	0.488	S	S	.	.	H	α-helix	trans	-67.7	-36.8	178.5	40.4	0	0	0	0	112.6	M1032 N1033 M1039 V1040	M1032-T1036 WeakPolarHBondContact CA-OG1 3.37Å; M1032-T1036 WeakPolarHBondContact CB-OG1 3.42Å; N1033-T1036 PolarHBondContact N-OG1 3.5Å; N1033-T1036 VanDerWaalsContact N-OG1 3.12Å; N1033-T1036 PolarHBondContact O-N 3Å; N1033-T1036 PolarHBondContact O-OG1 3.14Å; N1033-T1036 PolarHBondContact OD1-N 2.85Å; N1033-T1036 PolarHBondContact OD1-OG1 2.74Å; T1036-M1039 PolarHBondContact O-N 3.2Å; T1036-V1040 WeakPolarHBondContact O-CG2 3.27Å; T1036-V1040 PolarHBondContact O-N 3.05Å; T1036-V1040 VanDerWaalsContact O-N 3.15Å
1037	L	39.7	Very low	36.7	Very low	32 Å²	32	96.6 Å²	96.6	17%	0.168	50%	0.499	C	S	.	.	H	α-helix	trans	-61.5	-42.2	172.1	-72.9	170.3	0	0	0	112.3	V964 M1032 N1033 D1034 V1040 C1041	V964-L1037 HydrophobicContact CG1-CD1 3.74Å; V964-L1037 HydrophobicContact CG1-CD2 3.7Å; V964-L1037 HydrophobicContact CG1-CG 4.28Å; M1032-L1037 HydrophobicContact CB-CD2 4.31Å; M1032-L1037 HydrophobicContact CB-CG 4.09Å; M1032-L1037 HydrophobicContact SD-CD2 4.47Å; N1033-L1037 PolarHBondContact O-N 2.75Å; D1034-L1037 PolarHBondContact O-N 3.22Å; L1037-V1040 PolarHBondContact O-N 2.94Å; L1037-C1041 PolarHBondContact O-SG 3.28Å
1038	S	34.7	Very low	35.8	Very low	62 Å²	62	99 Å²	99	43%	0.434	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-38.8	177	77.6	0	0	0	0	112.7	D1034 V1035 V1040 C1041	D1034-S1038 VanDerWaalsContact O-CB 3.31Å; D1034-S1038 WeakPolarHBondContact O-CB 3.22Å; D1034-S1038 PolarHBondContact O-N 2.81Å; D1034-S1038 PolarHBondContact O-OG 3.1Å; V1035-S1038 PolarHBondContact O-N 3.29Å; V1035-S1038 PolarHBondContact O-OG 2.98Å; S1038-V1040 PolarHBondContact O-N 3.07Å; S1038-C1041 WeakPolarHBondContact O-CB 3.27Å; S1038-C1041 PolarHBondContact O-N 2.76Å
1039	M	35.7	Very low	34.8	Very low	125 Å²	125	106.8 Å²	106.8	62%	0.616	54%	0.541	S	S	*	.	H	α-helix	trans	-65.3	-37	178.3	-73.3	177	177.2	0	0	112.4	V1035 T1036 C1041 N1042	V1035-M1039 HydrophobicContact CG1-CE 3.7Å; V1035-M1039 HydrophobicContact CG1-SD 4.29Å; V1035-M1039 WeakPolarHBondContact O-CG 3.46Å; V1035-M1039 PolarHBondContact O-N 3.39Å; T1036-M1039 PolarHBondContact O-N 3.2Å; M1039-C1041 PolarHBondContact O-N 3.43Å; M1039-N1042 PolarHBondContact O-N 2.87Å
1040	V	41.3	Very low	34	Very low	56 Å²	56	109.5 Å²	109.5	34%	0.339	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-19.8	177.5	169.1	0	0	0	0	112.8	W1024 M1032 T1036 L1037 S1038	W1024-V1040 HydrophobicContact CH2-CG2 4.3Å; W1024-V1040 HydrophobicContact CZ2-CG1 4.31Å; W1024-V1040 HydrophobicContact CZ2-CG2 4.48Å; M1032-V1040 HydrophobicContact SD-CG2 4.47Å; T1036-V1040 WeakPolarHBondContact O-CG2 3.27Å; T1036-V1040 PolarHBondContact O-N 3.05Å; T1036-V1040 VanDerWaalsContact O-N 3.15Å; L1037-V1040 PolarHBondContact O-N 2.94Å; S1038-V1040 PolarHBondContact O-N 3.07Å
1041	C	33.7	Very low	33.4	Very low	45 Å²	45	106.4 Å²	106.4	30%	0.304	56%	0.558	S	S	.	*	H	α-helix	trans	-86.4	-23.6	-177.1	-61.6	0	0	0	0	114.9	L973 L1037 S1038 M1039 I1043	L973-C1041 WeakPolarHBondContact CD1-SG 3.42Å; L1037-C1041 PolarHBondContact O-SG 3.28Å; S1038-C1041 WeakPolarHBondContact O-CB 3.27Å; S1038-C1041 PolarHBondContact O-N 2.76Å; M1039-C1041 PolarHBondContact O-N 3.43Å; C1041-I1043 VanDerWaalsContact C-N 3.32Å; C1041-I1043 PolarHBondContact O-N 3.23Å
1042	N	29	Very low	32.9	Very low	140 Å²	140	101.9 Å²	101.9	75%	0.749	54%	0.539	S	S	*	.			trans	-84.3	29.2	-158.6	-94.2	-28.1	0	0	0	116.8	M1039 R1044	M1039-N1042 PolarHBondContact O-N 2.87Å; N1042-R1044 PolarHBondContact O-N 2.92Å
1043	I	26.7	Very low	32.4	Very low	122 Å²	122	104.1 Å²	104.1	63%	0.626	55%	0.549	S	S	*	.			trans	-102.2	87.2	-167.9	-50.2	-175.5	0	0	0	113.8	C1041	C1041-I1043 VanDerWaalsContact C-N 3.32Å; C1041-I1043 PolarHBondContact O-N 3.23Å
1044	R	26.4	Very low	32.2	Very low	241 Å²	241	104.9 Å²	104.9	91%	0.909	55%	0.547	S	S	*	.			trans	77	139.8	155.9	-60.6	-178.4	175.5	-179.6	-2.1	120.5	N1042	N1042-R1044 PolarHBondContact O-N 2.92Å
1045	Q	26.9	Very low	32.2	Very low	164 Å²	164	105.8 Å²	105.8	77%	0.766	55%	0.552	S	S	*	*			trans	-126.7	178.7	174.5	-117.5	-173.3	44.5	0	0	108.8
1046	P	26.8	Very low	32.1	Very low	110 Å²	110	106.6 Å²	106.6	71%	0.714	56%	0.557	S	S	*	*			cis	-122.9	-137.8	28.8	27.3	-0.3	0	0	0	112.3
1047	V	27.7	Very low	31.7	Very low	109 Å²	109	107.5 Å²	107.5	66%	0.661	57%	0.569	S	S	*	*			cis	-161.7	172.9	8.5	77.6	0	0	0	0	113.8
1048	D	26.7	Very low	31.6	Very low	134 Å²	134	110.1 Å²	110.1	72%	0.717	58%	0.581	S	S	*	*			trans	69.9	141.1	160.9	-75.7	-27.6	0	0	0	125.3
1049	H	26.8	Very low	31.7	Very low	190 Å²	190	111.7 Å²	111.7	88%	0.88	58%	0.584	S	S	*	*			trans	-154.7	140.8	-175.6	-75.4	-85	0	0	0	111.7
1050	S	30.7	Very low	31.8	Very low	101 Å²	101	112.3 Å²	112.3	71%	0.706	59%	0.589	S	S	*	*			trans	-162	136.6	144.8	59.4	0	0	0	0	111
1051	L	30.6	Very low	31.8	Very low	76 Å²	76	112.4 Å²	112.4	40%	0.398	59%	0.593	S	S	.	*			trans	-164.6	-18.7	173	-154.8	117.6	0	0	0	115.4	K1635 N1637	L1051-K1635 HydrophobicContact CD2-CD 4.02Å; L1051-N1637 WeakPolarHBondContact CD1-OD1 3.14Å
1052	E	32.3	Very low	32.1	Very low	73 Å²	73	113 Å²	113	34%	0.341	59%	0.591	S	S	.	*	S	Bend	trans	-77.8	-22.4	-174.1	-71.2	-175	74.8	0	0	114.1	K129 K865	K129-E1052 IonicContact NZ-OE2 2.76Å; K129-E1052 PolarHBondContact NZ-OE2 3.29Å; K865-E1052 WeakPolarHBondContact CD-OE1 3.34Å; K865-E1052 IonicContact NZ-OE1 3.79Å; K865-E1052 PolarHBondContact NZ-OE1 2.88Å
1053	E	32.6	Very low	32.7	Very low	107 Å²	107	113 Å²	113	50%	0.5	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-30.6	-176	-65.6	-172.1	95.9	0	0	114.9	D131 L1055 T1056	D131-E1053 HydrophobicContact CB-CG 4.18Å; E1053-L1055 PolarHBondContact O-N 3.19Å; E1053-T1056 PolarHBondContact O-N 2.66Å; E1053-T1056 PolarHBondContact O-OG1 3.17Å
1054	K	34.5	Very low	33.6	Very low	108 Å²	108	110.5 Å²	110.5	47%	0.47	58%	0.577	S	S	.	*	H	α-helix	trans	-62.3	-31.4	-178.3	-76.3	-167.6	173.4	-167	0	112.8	I1636	K1054-I1636 PolarHBondContact NZ-O 3.41Å
1055	L	35.1	Very low	34.7	Very low	101 Å²	101	102.5 Å²	102.5	53%	0.529	55%	0.549	S	S	.	.	H	α-helix	trans	-74.8	-25.2	-173.3	-77.4	159	0	0	0	113.8	E1053 N1059	E1053-L1055 PolarHBondContact O-N 3.19Å; L1055-N1059 PolarHBondContact O-ND2 3.18Å
1056	T	33.3	Very low	35.3	Very low	97 Å²	97	99.4 Å²	99.4	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-80.2	-29.7	177.3	48.9	0	0	0	0	112.5	E1053	E1053-T1056 PolarHBondContact O-N 2.66Å; E1053-T1056 PolarHBondContact O-OG1 3.17Å
1057	A	33.4	Very low	36.2	Very low	65 Å²	65	98 Å²	98	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-69.5	-40.7	178.8	0	0	0	0	0	113.3	L1060 S1061	A1057-L1060 PolarHBondContact O-N 3.33Å; A1057-S1061 PolarHBondContact O-N 2.68Å
1058	Q	38.4	Very low	37.6	Very low	87 Å²	87	96.4 Å²	96.4	41%	0.407	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-46.3	179.1	-69.7	-179.5	-101.9	0	0	112	L1060 S1061 E1062	Q1058-L1060 VanDerWaalsContact C-N 3.28Å; Q1058-L1060 PolarHBondContact O-N 2.96Å; Q1058-S1061 WeakPolarHBondContact O-CB 3.05Å; Q1058-S1061 PolarHBondContact O-N 2.97Å; Q1058-E1062 PolarHBondContact O-N 3.03Å
1059	N	37.2	Very low	38.5	Very low	95 Å²	95	93.2 Å²	93.2	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-59	-32.2	179.9	-80.3	-79.7	0	0	0	114.1	L1055 K1063	L1055-N1059 PolarHBondContact O-ND2 3.18Å; N1059-K1063 PolarHBondContact O-N 3.22Å
1060	L	38.1	Very low	39.3	Very low	138 Å²	138	88.4 Å²	88.4	72%	0.723	47%	0.47	S	S	*	.	H	α-helix	trans	-75.5	-39.5	173.3	-103.3	86	0	0	0	112.5	A1057 Q1058 K1063 S1064	A1057-L1060 PolarHBondContact O-N 3.33Å; Q1058-L1060 VanDerWaalsContact C-N 3.28Å; Q1058-L1060 PolarHBondContact O-N 2.96Å; L1060-K1063 PolarHBondContact O-N 3.23Å; L1060-S1064 PolarHBondContact O-N 2.67Å; L1060-S1064 VanDerWaalsContact O-N 3.13Å
1061	S	41.1	Very low	40.3	Very low	58 Å²	58	89 Å²	89	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-48.4	176.4	-173.9	0	0	0	0	111	A1057 Q1058 S1064 K1065	A1057-S1061 PolarHBondContact O-N 2.68Å; Q1058-S1061 WeakPolarHBondContact O-CB 3.05Å; Q1058-S1061 PolarHBondContact O-N 2.97Å; S1061-S1064 WeakPolarHBondContact O-CB 3.49Å; S1061-S1064 PolarHBondContact O-N 3.46Å; S1061-S1064 VanDerWaalsContact O-N 3.16Å; S1061-S1064 PolarHBondContact O-OG 3.45Å; S1061-K1065 PolarHBondContact O-N 3.23Å
1062	E	39.2	Very low	41.4	Very low	57 Å²	57	90.6 Å²	90.6	27%	0.266	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-42.3	-179.2	-74.2	155.4	-141.5	0	0	112.7	Q1058 S1064 K1065 I1066	Q1058-E1062 PolarHBondContact O-N 3.03Å; E1062-S1064 PolarHBondContact O-N 2.85Å; E1062-K1065 PolarHBondContact O-N 3.37Å; E1062-I1066 WeakPolarHBondContact O-CG1 3.1Å; E1062-I1066 PolarHBondContact O-N 3.15Å; E1062-I1066 VanDerWaalsContact O-N 3.09Å
1063	K	43.2	Very low	42.2	Very low	141 Å²	141	91.4 Å²	91.4	61%	0.613	47%	0.465	S	S	*	.	H	α-helix	trans	-58.3	-35.2	171.8	-95.2	-157.9	171.3	-163.1	0	112.5	N1059 L1060 F1067	N1059-K1063 PolarHBondContact O-N 3.22Å; L1060-K1063 PolarHBondContact O-N 3.23Å; K1063-F1067 PolarHBondContact O-N 2.85Å
1064	S	45.5	Very low	43	Very low	69 Å²	69	90.7 Å²	90.7	48%	0.483	47%	0.465	S	S	.	.	H	α-helix	trans	-69.2	-43.1	175.7	79.6	0	0	0	0	112.9	L1060 S1061 E1062 I1066 F1067 T1068	L1060-S1064 PolarHBondContact O-N 2.67Å; L1060-S1064 VanDerWaalsContact O-N 3.13Å; S1061-S1064 WeakPolarHBondContact O-CB 3.49Å; S1061-S1064 PolarHBondContact O-N 3.46Å; S1061-S1064 VanDerWaalsContact O-N 3.16Å; S1061-S1064 PolarHBondContact O-OG 3.45Å; E1062-S1064 PolarHBondContact O-N 2.85Å; S1064-I1066 VanDerWaalsContact C-N 3.28Å; S1064-I1066 PolarHBondContact O-N 3.48Å; S1064-F1067 PolarHBondContact O-N 2.88Å; S1064-T1068 PolarHBondContact O-N 2.73Å; S1064-T1068 PolarHBondContact O-OG1 2.82Å
1065	K	47.7	Very low	44.4	Very low	72 Å²	72	90.5 Å²	90.5	31%	0.313	47%	0.468	S	S	.	.	H	α-helix	trans	-58.5	-39	176.3	-72.8	-177.5	179.4	-176.7	0	112	S1061 E1062 T1068 K1069 I1655	S1061-K1065 PolarHBondContact O-N 3.23Å; E1062-K1065 PolarHBondContact O-N 3.37Å; K1065-T1068 PolarHBondContact O-OG1 3.24Å; K1065-T1068 VanDerWaalsContact O-OG1 3.04Å; K1065-K1069 PolarHBondContact O-N 3.33Å; K1065-K1069 VanDerWaalsContact O-N 3.12Å; K1065-I1655 PolarHBondContact NZ-O 3.25Å
1066	I	41	Very low	45.2	Very low	99 Å²	99	89 Å²	89	51%	0.508	46%	0.461	S	S	.	.	H	α-helix	trans	-68.9	-42.9	178.9	-66.2	166.3	0	0	0	110.4	E1062 S1064 K1069 L1070	E1062-I1066 WeakPolarHBondContact O-CG1 3.1Å; E1062-I1066 PolarHBondContact O-N 3.15Å; E1062-I1066 VanDerWaalsContact O-N 3.09Å; S1064-I1066 VanDerWaalsContact C-N 3.28Å; S1064-I1066 PolarHBondContact O-N 3.48Å; I1066-K1069 PolarHBondContact O-N 3.3Å; I1066-L1070 HydrophobicContact CG2-CD1 4Å; I1066-L1070 WeakPolarHBondContact O-CB 3.42Å; I1066-L1070 WeakPolarHBondContact O-CG 3.22Å; I1066-L1070 PolarHBondContact O-N 3.37Å
1067	F	45.5	Very low	46	Very low	82 Å²	82	88 Å²	88	36%	0.36	45%	0.452	S	S	.	.	H	α-helix	trans	-67.5	-32.9	177.7	-102	-81.1	0	0	0	113.9	F55 K1063 S1064 K1071	F55-F1067 HydrophobicContact CD2-CD1 4.42Å; F55-F1067 AromaticContact CD2-CE1 3.9Å; F55-F1067 HydrophobicContact CD2-CE1 3.9Å; F55-F1067 HydrophobicContact CE1-CE1 4.43Å; F55-F1067 HydrophobicContact CE2-CD1 4.18Å; F55-F1067 AromaticContact CE2-CE1 3.66Å; F55-F1067 HydrophobicContact CE2-CE1 3.66Å; F55-F1067 HydrophobicContact CG-CE1 4.42Å; F55-F1067 AromaticContact CZ-CE1 3.95Å; F55-F1067 HydrophobicContact CZ-CE1 3.95Å; K1063-F1067 PolarHBondContact O-N 2.85Å; S1064-F1067 PolarHBondContact O-N 2.88Å; F1067-K1071 WeakPolarHBondContact O-CG 3.34Å; F1067-K1071 PolarHBondContact O-N 2.72Å; F1067-K1071 VanDerWaalsContact O-N 3.15Å
1068	T	56.3	Low	47.1	Very low	74 Å²	74	90.1 Å²	90.1	45%	0.454	45%	0.449	S	S	.	.	H	α-helix	trans	-69.5	-48	171.4	46.6	0	0	0	0	111.5	S1064 K1065 L1070 K1071 E1072	S1064-T1068 PolarHBondContact O-N 2.73Å; S1064-T1068 PolarHBondContact O-OG1 2.82Å; K1065-T1068 PolarHBondContact O-OG1 3.24Å; K1065-T1068 VanDerWaalsContact O-OG1 3.04Å; T1068-L1070 VanDerWaalsContact C-N 3.26Å; T1068-L1070 PolarHBondContact O-N 2.85Å; T1068-K1071 PolarHBondContact O-N 2.69Å; T1068-E1072 WeakPolarHBondContact O-CG 3.32Å; T1068-E1072 PolarHBondContact O-N 3.23Å
1069	K	46.3	Very low	47.8	Very low	67 Å²	67	89.3 Å²	89.3	29%	0.291	45%	0.445	S	S	.	.	H	α-helix	trans	-60.6	-32.7	177.9	-75.8	-171	170.2	-169.2	0	113.5	K1065 I1066 R1073 T1657	K1065-K1069 PolarHBondContact O-N 3.33Å; K1065-K1069 VanDerWaalsContact O-N 3.12Å; I1066-K1069 PolarHBondContact O-N 3.3Å; K1069-R1073 WeakPolarHBondContact O-CG 3.4Å; K1069-R1073 PolarHBondContact O-N 2.82Å; K1069-R1073 VanDerWaalsContact O-N 3.16Å; K1069-T1657 PolarHBondContact NZ-O 3.09Å; K1069-T1657 PolarHBondContact NZ-OG1 3.21Å
1070	L	43.5	Very low	48.4	Very low	90 Å²	90	87.9 Å²	87.9	47%	0.471	44%	0.436	S	S	.	.	H	α-helix	trans	-70.3	-41.7	172	-75.2	169.7	0	0	0	112.3	I1066 T1068 R1073 D1074	I1066-L1070 HydrophobicContact CG2-CD1 4Å; I1066-L1070 WeakPolarHBondContact O-CB 3.42Å; I1066-L1070 WeakPolarHBondContact O-CG 3.22Å; I1066-L1070 PolarHBondContact O-N 3.37Å; T1068-L1070 VanDerWaalsContact C-N 3.26Å; T1068-L1070 PolarHBondContact O-N 2.85Å; L1070-R1073 PolarHBondContact O-N 3.42Å; L1070-D1074 WeakPolarHBondContact O-CB 3.45Å; L1070-D1074 PolarHBondContact O-N 2.97Å
1071	K	52	Low	48.9	Very low	114 Å²	114	85.3 Å²	85.3	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-37.6	174.2	-79.1	-178.1	176.9	179.7	0	113	F1067 T1068 D1074 I1075	F1067-K1071 WeakPolarHBondContact O-CG 3.34Å; F1067-K1071 PolarHBondContact O-N 2.72Å; F1067-K1071 VanDerWaalsContact O-N 3.15Å; T1068-K1071 PolarHBondContact O-N 2.69Å; K1071-D1074 PolarHBondContact O-N 2.78Å; K1071-I1075 WeakPolarHBondContact O-CD1 3.26Å; K1071-I1075 VanDerWaalsContact O-CG1 3.3Å; K1071-I1075 WeakPolarHBondContact O-CG1 3.31Å; K1071-I1075 PolarHBondContact O-N 2.82Å
1072	E	53	Low	49.2	Very low	109 Å²	109	88.8 Å²	88.8	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-46	174.5	-72.2	163.1	175.5	0	0	110.6	T1068 D1074 I1075 D1076	T1068-E1072 WeakPolarHBondContact O-CG 3.32Å; T1068-E1072 PolarHBondContact O-N 3.23Å; E1072-D1074 VanDerWaalsContact C-N 3.35Å; E1072-D1074 PolarHBondContact O-N 3.07Å; E1072-I1075 CarbonylContact O-C 3.49Å; E1072-I1075 WeakPolarHBondContact O-CA 3.28Å; E1072-I1075 WeakPolarHBondContact O-CB 3.02Å; E1072-I1075 PolarHBondContact O-N 3.48Å; E1072-I1075 VanDerWaalsContact O-N 3.1Å; E1072-D1076 PolarHBondContact O-N 2.78Å
1073	R	49.3	Very low	49.6	Very low	89 Å²	89	89.2 Å²	89.2	34%	0.336	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-34.1	174.9	-71.9	171.2	172.8	-175.5	-4.8	113.4	K1069 L1070 I1075 D1076 L1077 C1121	K1069-R1073 WeakPolarHBondContact O-CG 3.4Å; K1069-R1073 PolarHBondContact O-N 2.82Å; K1069-R1073 VanDerWaalsContact O-N 3.16Å; L1070-R1073 PolarHBondContact O-N 3.42Å; R1073-I1075 VanDerWaalsContact C-N 3.25Å; R1073-I1075 PolarHBondContact O-N 3.18Å; R1073-D1076 PolarHBondContact O-N 2.9Å; R1073-L1077 WeakPolarHBondContact O-CB 3.49Å; R1073-L1077 PolarHBondContact O-N 2.81Å; R1073-C1121 PolarHBondContact NH2-O 2.93Å
1074	D	50.1	Low	49.6	Very low	93 Å²	93	87.9 Å²	87.9	50%	0.497	44%	0.437	S	S	.	.	H	α-helix	trans	-69.3	-23.6	174.1	-147.9	51.3	0	0	0	112.4	L1070 K1071 E1072 K1078	L1070-D1074 WeakPolarHBondContact O-CB 3.45Å; L1070-D1074 PolarHBondContact O-N 2.97Å; K1071-D1074 PolarHBondContact O-N 2.78Å; E1072-D1074 VanDerWaalsContact C-N 3.35Å; E1072-D1074 PolarHBondContact O-N 3.07Å; D1074-K1078 WeakPolarHBondContact O-CD 3.4Å; D1074-K1078 WeakPolarHBondContact O-CG 3.45Å; D1074-K1078 IonicContact OD2-NZ 3.76Å
1075	I	62.8	Low	49.2	Very low	104 Å²	104	87.3 Å²	87.3	53%	0.533	43%	0.426	S	S	.	.	H	α-helix	trans	-82.2	-44.6	170.9	-68.1	162.9	0	0	0	110.5	K1071 E1072 R1073 L1077 K1078 E1079	K1071-I1075 WeakPolarHBondContact O-CD1 3.26Å; K1071-I1075 VanDerWaalsContact O-CG1 3.3Å; K1071-I1075 WeakPolarHBondContact O-CG1 3.31Å; K1071-I1075 PolarHBondContact O-N 2.82Å; E1072-I1075 CarbonylContact O-C 3.49Å; E1072-I1075 WeakPolarHBondContact O-CA 3.28Å; E1072-I1075 WeakPolarHBondContact O-CB 3.02Å; E1072-I1075 PolarHBondContact O-N 3.48Å; E1072-I1075 VanDerWaalsContact O-N 3.1Å; R1073-I1075 VanDerWaalsContact C-N 3.25Å; R1073-I1075 PolarHBondContact O-N 3.18Å; I1075-L1077 VanDerWaalsContact C-N 3.33Å; I1075-L1077 PolarHBondContact O-N 2.87Å; I1075-K1078 CarbonylContact O-C 3.53Å; I1075-K1078 WeakPolarHBondContact O-CA 3.45Å; I1075-K1078 WeakPolarHBondContact O-CB 3.39Å; I1075-K1078 PolarHBondContact O-N 2.97Å; I1075-E1079 PolarHBondContact O-N 2.82Å
1076	D	52.2	Low	48.8	Very low	70 Å²	70	86.3 Å²	86.3	37%	0.374	43%	0.431	S	S	.	.	H	α-helix	trans	-55.8	-45.9	174.8	-80.8	-30.6	0	0	0	111.8	E1072 R1073 K1078 E1079 I1080	E1072-D1076 PolarHBondContact O-N 2.78Å; R1073-D1076 PolarHBondContact O-N 2.9Å; D1076-K1078 VanDerWaalsContact C-N 3.25Å; D1076-K1078 PolarHBondContact O-N 2.78Å; D1076-E1079 PolarHBondContact O-N 2.84Å; D1076-I1080 WeakPolarHBondContact O-CB 3.27Å; D1076-I1080 VanDerWaalsContact O-CG1 3.22Å; D1076-I1080 WeakPolarHBondContact O-CG1 3.46Å; D1076-I1080 PolarHBondContact O-N 3.43Å
1077	L	50.1	Low	48.9	Very low	76 Å²	76	88.6 Å²	88.6	40%	0.398	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-32.4	176.3	-81.9	165	0	0	0	112.5	R1073 I1075 S1081 Y1112	R1073-L1077 WeakPolarHBondContact O-CB 3.49Å; R1073-L1077 PolarHBondContact O-N 2.81Å; I1075-L1077 VanDerWaalsContact C-N 3.33Å; I1075-L1077 PolarHBondContact O-N 2.87Å; L1077-S1081 VanDerWaalsContact O-CB 3.3Å; L1077-S1081 WeakPolarHBondContact O-CB 3.43Å; L1077-S1081 PolarHBondContact O-N 3.25Å; L1077-S1081 VanDerWaalsContact O-N 3.15Å; L1077-S1081 PolarHBondContact O-OG 3.46Å; L1077-Y1112 HydrophobicContact CD2-CD1 4.43Å; L1077-Y1112 HydrophobicContact CD2-CE1 3.76Å; L1077-Y1112 HydrophobicContact CG-CE1 4.29Å
1078	K	56	Low	48.7	Very low	109 Å²	109	90 Å²	90	47%	0.474	45%	0.453	S	S	.	.	H	α-helix	trans	-74.5	-43	172.3	-75.8	170.7	-176.7	155.6	0	112.3	D1074 I1075 D1076 I1080 S1081 Q1082	D1074-K1078 WeakPolarHBondContact O-CD 3.4Å; D1074-K1078 WeakPolarHBondContact O-CG 3.45Å; D1074-K1078 IonicContact OD2-NZ 3.76Å; I1075-K1078 CarbonylContact O-C 3.53Å; I1075-K1078 WeakPolarHBondContact O-CA 3.45Å; I1075-K1078 WeakPolarHBondContact O-CB 3.39Å; I1075-K1078 PolarHBondContact O-N 2.97Å; D1076-K1078 VanDerWaalsContact C-N 3.25Å; D1076-K1078 PolarHBondContact O-N 2.78Å; K1078-I1080 PolarHBondContact O-N 3.16Å; K1078-S1081 WeakPolarHBondContact CA-OG 3.35Å; K1078-S1081 PolarHBondContact O-N 3.34Å; K1078-S1081 PolarHBondContact O-OG 3.41Å; K1078-Q1082 WeakPolarHBondContact O-CB 3.35Å; K1078-Q1082 WeakPolarHBondContact O-CG 3.06Å; K1078-Q1082 PolarHBondContact O-N 3.46Å
1079	E	53.8	Low	47.9	Very low	70 Å²	70	91.1 Å²	91.1	33%	0.327	46%	0.456	S	S	.	.	H	α-helix	trans	-60.9	-43.2	174.7	-88.7	-127.3	133.1	0	0	112.5	I1075 D1076 I1083 K1084	I1075-E1079 PolarHBondContact O-N 2.82Å; D1076-E1079 PolarHBondContact O-N 2.84Å; E1079-I1083 HydrophobicContact CG-CD1 4.42Å; E1079-I1083 WeakPolarHBondContact O-CA 3.41Å; E1079-I1083 PolarHBondContact O-N 3.15Å; E1079-K1084 PolarHBondContact O-N 3.2Å; E1079-K1084 IonicContact OE2-NZ 1.76Å
1080	I	49.3	Very low	47.6	Very low	65 Å²	65	92 Å²	92	33%	0.333	47%	0.47	S	S	.	.	I	π-helix	trans	-66.6	-43.2	179.5	-69	166	0	0	0	110.3	D1076 K1078 Y1112	D1076-I1080 WeakPolarHBondContact O-CB 3.27Å; D1076-I1080 VanDerWaalsContact O-CG1 3.22Å; D1076-I1080 WeakPolarHBondContact O-CG1 3.46Å; D1076-I1080 PolarHBondContact O-N 3.43Å; K1078-I1080 PolarHBondContact O-N 3.16Å; I1080-Y1112 HydrophobicContact CD1-CD2 4.11Å; I1080-Y1112 HydrophobicContact CD1-CE1 4.42Å; I1080-Y1112 HydrophobicContact CD1-CE2 3.59Å
1081	S	48.4	Very low	47.3	Very low	83 Å²	83	95.8 Å²	95.8	58%	0.58	48%	0.483	S	S	*	.	I	π-helix	trans	-77.7	-25.4	-179.7	58.5	0	0	0	0	114.8	L1077 K1078	L1077-S1081 VanDerWaalsContact O-CB 3.3Å; L1077-S1081 WeakPolarHBondContact O-CB 3.43Å; L1077-S1081 PolarHBondContact O-N 3.25Å; L1077-S1081 VanDerWaalsContact O-N 3.15Å; L1077-S1081 PolarHBondContact O-OG 3.46Å; K1078-S1081 WeakPolarHBondContact CA-OG 3.35Å; K1078-S1081 PolarHBondContact O-N 3.34Å; K1078-S1081 PolarHBondContact O-OG 3.41Å
1082	Q	48.8	Very low	46.4	Very low	131 Å²	131	101.7 Å²	101.7	61%	0.612	50%	0.502	S	S	*	.	I	π-helix	trans	-114	-35.2	-173.4	-59.1	-176.1	-11.4	0	0	115	K1078 A1086	K1078-Q1082 WeakPolarHBondContact O-CB 3.35Å; K1078-Q1082 WeakPolarHBondContact O-CG 3.06Å; K1078-Q1082 PolarHBondContact O-N 3.46Å; Q1082-A1086 VanDerWaalsContact O-CB 3.3Å; Q1082-A1086 WeakPolarHBondContact O-CB 3.49Å
1083	I	46.9	Very low	45.3	Very low	66 Å²	66	104.2 Å²	104.2	34%	0.338	51%	0.513	S	S	.	.	I	π-helix	trans	-113.5	-46.4	-163.7	-67.8	170.8	0	0	0	112.6	E1079 K1087	E1079-I1083 HydrophobicContact CG-CD1 4.42Å; E1079-I1083 WeakPolarHBondContact O-CA 3.41Å; E1079-I1083 PolarHBondContact O-N 3.15Å; I1083-K1087 HydrophobicContact CG2-CD 4.22Å; I1083-K1087 WeakPolarHBondContact O-CG 3.38Å; I1083-K1087 PolarHBondContact O-N 2.87Å; I1083-K1087 VanDerWaalsContact O-N 3.09Å
1084	K	43.1	Very low	44.6	Very low	113 Å²	113	110.7 Å²	110.7	49%	0.491	54%	0.539	S	S	.	.	I	π-helix	trans	-67.8	-51.2	-179.7	-81.9	169.5	178.2	148.9	0	111.6	E1079 A1086 K1087 T1088	E1079-K1084 PolarHBondContact O-N 3.2Å; E1079-K1084 IonicContact OE2-NZ 1.76Å; K1084-A1086 VanDerWaalsContact C-N 3.27Å; K1084-A1086 PolarHBondContact O-N 3.36Å; K1084-K1087 PolarHBondContact O-N 2.94Å; K1084-T1088 PolarHBondContact O-N 2.98Å; K1084-T1088 PolarHBondContact O-OG1 3.01Å
1085	F	37	Very low	44.1	Very low	58 Å²	58	115.8 Å²	115.8	25%	0.254	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-33.4	179	-139.5	-91.1	0	0	0	112.7	L1089 T1101 R1105	F1085-L1089 HydrophobicContact CD1-CD1 3.71Å; F1085-L1089 HydrophobicContact CD1-CG 4.34Å; F1085-L1089 HydrophobicContact CE1-CD1 4.05Å; F1085-L1089 PolarHBondContact O-N 3.42Å; F1085-L1089 VanDerWaalsContact O-N 3.08Å; F1085-T1101 HydrophobicContact CE1-CG2 4.31Å; F1085-R1105 HydrophobicContact CE1-CG 4.04Å; F1085-R1105 HydrophobicContact CE2-CG 3.87Å; F1085-R1105 HydrophobicContact CZ-CG 3.54Å
1086	A	39.6	Very low	42.8	Very low	50 Å²	50	116.7 Å²	116.7	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-70	-40.5	176.4	0	0	0	0	0	112.9	Q1082 K1084 T1088 L1089 S1090	Q1082-A1086 VanDerWaalsContact O-CB 3.3Å; Q1082-A1086 WeakPolarHBondContact O-CB 3.49Å; K1084-A1086 VanDerWaalsContact C-N 3.27Å; K1084-A1086 PolarHBondContact O-N 3.36Å; A1086-T1088 VanDerWaalsContact C-N 3.29Å; A1086-T1088 PolarHBondContact O-N 3.21Å; A1086-L1089 PolarHBondContact O-N 2.72Å; A1086-S1090 WeakPolarHBondContact O-CB 3.28Å; A1086-S1090 PolarHBondContact O-N 2.87Å; A1086-S1090 PolarHBondContact O-OG 3.5Å
1087	K	43.5	Very low	42.4	Very low	147 Å²	147	118 Å²	118	64%	0.639	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-24.6	176	-76.4	176.6	177.1	175.1	0	113.4	I1083 K1084	I1083-K1087 HydrophobicContact CG2-CD 4.22Å; I1083-K1087 WeakPolarHBondContact O-CG 3.38Å; I1083-K1087 PolarHBondContact O-N 2.87Å; I1083-K1087 VanDerWaalsContact O-N 3.09Å; K1084-K1087 PolarHBondContact O-N 2.94Å
1088	T	40.7	Very low	42.1	Very low	112 Å²	112	122.5 Å²	122.5	69%	0.687	58%	0.584	S	S	*	*	H	α-helix	trans	-78.4	-43.6	171.3	-46.7	0	0	0	0	111.6	K1084 A1086 S1090	K1084-T1088 PolarHBondContact O-N 2.98Å; K1084-T1088 PolarHBondContact O-OG1 3.01Å; A1086-T1088 VanDerWaalsContact C-N 3.29Å; A1086-T1088 PolarHBondContact O-N 3.21Å; T1088-S1090 PolarHBondContact O-N 3.39Å
1089	L	40.2	Very low	41.7	Very low	98 Å²	98	119 Å²	119	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-29	179.2	-82.2	167.2	0	0	0	114.1	F1085 A1086 K1091	F1085-L1089 HydrophobicContact CD1-CD1 3.71Å; F1085-L1089 HydrophobicContact CD1-CG 4.34Å; F1085-L1089 HydrophobicContact CE1-CD1 4.05Å; F1085-L1089 PolarHBondContact O-N 3.42Å; F1085-L1089 VanDerWaalsContact O-N 3.08Å; A1086-L1089 PolarHBondContact O-N 2.72Å; L1089-K1091 VanDerWaalsContact C-N 3.35Å; L1089-K1091 PolarHBondContact O-N 2.66Å
1090	S	38.5	Very low	41.3	Very low	84 Å²	84	118.8 Å²	118.8	59%	0.587	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-2.3	-175	66.3	0	0	0	0	115.5	A1086 T1088	A1086-S1090 WeakPolarHBondContact O-CB 3.28Å; A1086-S1090 PolarHBondContact O-N 2.87Å; A1086-S1090 PolarHBondContact O-OG 3.5Å; T1088-S1090 PolarHBondContact O-N 3.39Å
1091	K	37.5	Very low	41.2	Very low	170 Å²	170	117.2 Å²	117.2	74%	0.739	58%	0.575	S	S	*	*	S	Bend	trans	-116.3	-5.2	-167	-84.3	-156.7	167.1	-162.6	0	118.8	L1089	L1089-K1091 VanDerWaalsContact C-N 3.35Å; L1089-K1091 PolarHBondContact O-N 2.66Å
1092	R	33	Very low	41.4	Very low	238 Å²	238	117.8 Å²	117.8	90%	0.898	57%	0.569	S	S	*	*	S	Bend	trans	-161	136.1	157.4	-99	126.8	-162.2	-138.2	0.4	110.2
1093	H	31.2	Very low	41.6	Very low	162 Å²	162	115 Å²	115	75%	0.75	56%	0.556	S	S	*	*			trans	-93.7	134.1	-175.5	-62.8	25.1	0	0	0	110.5
1094	Y	34.9	Very low	41.6	Very low	225 Å²	225	114.2 Å²	114.2	88%	0.882	56%	0.559	S	S	*	*			trans	-167.8	166	144.8	-95.9	-58.6	0	0	0	109.7	I1096	Y1094-I1096 PolarHBondContact O-N 3.29Å
1095	H	38	Very low	41.7	Very low	201 Å²	201	115.3 Å²	115.3	93%	0.931	56%	0.56	S	S	*	*			trans	-70	87.4	-171.3	-82.5	-79.1	0	0	0	113.7
1096	I	36.1	Very low	42.5	Very low	122 Å²	122	116.9 Å²	116.9	63%	0.626	56%	0.564	S	S	*	*			trans	-83.2	126.1	161.5	-60.5	171.2	0	0	0	108.1	Y1094	Y1094-I1096 PolarHBondContact O-N 3.29Å
1097	D	43.9	Very low	43.2	Very low	99 Å²	99	118.6 Å²	118.6	53%	0.529	57%	0.566	S	S	.	*			trans	-55.9	145.2	178.8	-174.1	-9.7	0	0	0	110.7	A1099 S1100 T1101	D1097-A1099 PolarHBondContact O-N 2.89Å; D1097-A1099 PolarHBondContact OD1-N 2.8Å; D1097-A1099 WeakPolarHBondContact OD2-CB 3.39Å; D1097-S1100 PolarHBondContact O-N 2.91Å; D1097-S1100 VanDerWaalsContact O-N 3.11Å; D1097-T1101 WeakPolarHBondContact O-CB 3.5Å; D1097-T1101 PolarHBondContact O-N 3.48Å; D1097-T1101 PolarHBondContact O-OG1 3.15Å
1098	Y	43.5	Very low	43.3	Very low	169 Å²	169	114.1 Å²	114.1	66%	0.663	56%	0.556	S	S	*	*	H	α-helix	trans	-55	-34.4	168	-174.6	-91.8	0	0	0	111.4	T1101 Q1102	Y1098-T1101 PolarHBondContact O-N 3.37Å; Y1098-Q1102 HydrophobicContact CD1-CG 3.94Å; Y1098-Q1102 HydrophobicContact CE1-CG 3.64Å; Y1098-Q1102 WeakPolarHBondContact O-CB 3.29Å; Y1098-Q1102 WeakPolarHBondContact O-CG 3.13Å; Y1098-Q1102 PolarHBondContact O-N 3.03Å; Y1098-Q1102 PolarHBondContact OH-NE2 2.94Å
1099	A	47.1	Very low	43.5	Very low	37 Å²	37	113.1 Å²	113.1	31%	0.306	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-48.6	172.4	0	0	0	0	0	112.2	D1097 T1101 Q1102 E1103	D1097-A1099 PolarHBondContact O-N 2.89Å; D1097-A1099 PolarHBondContact OD1-N 2.8Å; D1097-A1099 WeakPolarHBondContact OD2-CB 3.39Å; A1099-T1101 VanDerWaalsContact C-N 3.29Å; A1099-T1101 PolarHBondContact O-N 2.89Å; A1099-Q1102 WeakPolarHBondContact O-CB 3.1Å; A1099-Q1102 PolarHBondContact O-N 3.27Å; A1099-E1103 WeakPolarHBondContact O-CB 3.12Å; A1099-E1103 PolarHBondContact O-N 3.46Å
1100	S	46.8	Very low	44	Very low	64 Å²	64	111.6 Å²	111.6	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-33.9	175.5	-55.1	0	0	0	0	112.4	D1097 E1103 A1104	D1097-S1100 PolarHBondContact O-N 2.91Å; D1097-S1100 VanDerWaalsContact O-N 3.11Å; S1100-E1103 PolarHBondContact O-N 3.46Å; S1100-A1104 VanDerWaalsContact O-CB 3.28Å; S1100-A1104 WeakPolarHBondContact O-CB 3.36Å; S1100-A1104 PolarHBondContact O-N 2.88Å
1101	T	46.1	Very low	44.5	Very low	32 Å²	32	112.1 Å²	112.1	20%	0.196	53%	0.531	C	S	.	.	H	α-helix	trans	-71.5	-38.2	176.3	-51.6	0	0	0	0	111.7	F1085 D1097 Y1098 A1099 R1105	F1085-T1101 HydrophobicContact CE1-CG2 4.31Å; D1097-T1101 WeakPolarHBondContact O-CB 3.5Å; D1097-T1101 PolarHBondContact O-N 3.48Å; D1097-T1101 PolarHBondContact O-OG1 3.15Å; Y1098-T1101 PolarHBondContact O-N 3.37Å; A1099-T1101 VanDerWaalsContact C-N 3.29Å; A1099-T1101 PolarHBondContact O-N 2.89Å; T1101-R1105 WeakPolarHBondContact O-CB 3.37Å; T1101-R1105 VanDerWaalsContact O-CG 3.32Å; T1101-R1105 WeakPolarHBondContact O-CG 3.48Å; T1101-R1105 PolarHBondContact O-N 2.79Å; T1101-R1105 VanDerWaalsContact O-N 3.12Å
1102	Q	52.5	Low	44.8	Very low	95 Å²	95	107.1 Å²	107.1	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-45.3	169.7	-78	-105.3	-9.1	0	0	110.8	Y1098 A1099 R1105 R1106	Y1098-Q1102 HydrophobicContact CD1-CG 3.94Å; Y1098-Q1102 HydrophobicContact CE1-CG 3.64Å; Y1098-Q1102 WeakPolarHBondContact O-CB 3.29Å; Y1098-Q1102 WeakPolarHBondContact O-CG 3.13Å; Y1098-Q1102 PolarHBondContact O-N 3.03Å; Y1098-Q1102 PolarHBondContact OH-NE2 2.94Å; A1099-Q1102 WeakPolarHBondContact O-CB 3.1Å; A1099-Q1102 PolarHBondContact O-N 3.27Å; Q1102-R1105 CarbonylContact O-C 3.54Å; Q1102-R1105 WeakPolarHBondContact O-CB 3.07Å; Q1102-R1105 PolarHBondContact O-N 3.03Å; Q1102-R1106 WeakPolarHBondContact O-CB 3.46Å; Q1102-R1106 PolarHBondContact O-N 3.13Å
1103	E	53	Low	45.3	Very low	74 Å²	74	100.5 Å²	100.5	35%	0.346	48%	0.484	S	S	.	.	H	α-helix	trans	-70.1	-39.7	-178.1	-161.5	58.2	-148.8	0	0	112.1	A1099 S1100 R1105 R1106 I1107	A1099-E1103 WeakPolarHBondContact O-CB 3.12Å; A1099-E1103 PolarHBondContact O-N 3.46Å; S1100-E1103 PolarHBondContact O-N 3.46Å; E1103-R1105 VanDerWaalsContact C-N 3.29Å; E1103-R1105 PolarHBondContact O-N 3.22Å; E1103-R1106 VanDerWaalsContact CD-NE 3.34Å; E1103-R1106 CarbonylContact O-C 3.58Å; E1103-R1106 WeakPolarHBondContact O-CA 3.48Å; E1103-R1106 WeakPolarHBondContact O-CB 3.34Å; E1103-R1106 PolarHBondContact O-N 3.3Å; E1103-R1106 IonicContact OE1-CZ 2.8Å; E1103-R1106 IonicContact OE1-NE 2.75Å; E1103-R1106 PolarHBondContact OE1-NE 3.5Å; E1103-R1106 IonicContact OE1-NH2 2.68Å; E1103-R1106 PolarHBondContact OE1-NH2 3.4Å; E1103-R1106 IonicContact OE2-CZ 2.81Å; E1103-R1106 IonicContact OE2-NE 3.62Å; E1103-R1106 PolarHBondContact OE2-NE 3Å; E1103-R1106 IonicContact OE2-NH2 2.84Å; E1103-I1107 HydrophobicContact CG-CD1 4.15Å; E1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; E1103-I1107 PolarHBondContact O-N 3.47Å
1104	A	47.8	Very low	45.8	Very low	48 Å²	48	98.9 Å²	98.9	40%	0.397	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-36.2	171.4	0	0	0	0	0	112.2	S1100 A1108	S1100-A1104 VanDerWaalsContact O-CB 3.28Å; S1100-A1104 WeakPolarHBondContact O-CB 3.36Å; S1100-A1104 PolarHBondContact O-N 2.88Å; A1104-A1108 WeakPolarHBondContact O-CB 3.46Å; A1104-A1108 PolarHBondContact O-N 2.84Å
1105	R	46.1	Very low	46.3	Very low	136 Å²	136	96 Å²	96	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-68.4	-38.2	170.4	-75.9	176.2	176.6	-174.9	-0.2	112.3	F1085 T1101 Q1102 E1103 F1109	F1085-R1105 HydrophobicContact CE1-CG 4.04Å; F1085-R1105 HydrophobicContact CE2-CG 3.87Å; F1085-R1105 HydrophobicContact CZ-CG 3.54Å; T1101-R1105 WeakPolarHBondContact O-CB 3.37Å; T1101-R1105 VanDerWaalsContact O-CG 3.32Å; T1101-R1105 WeakPolarHBondContact O-CG 3.48Å; T1101-R1105 PolarHBondContact O-N 2.79Å; T1101-R1105 VanDerWaalsContact O-N 3.12Å; Q1102-R1105 CarbonylContact O-C 3.54Å; Q1102-R1105 WeakPolarHBondContact O-CB 3.07Å; Q1102-R1105 PolarHBondContact O-N 3.03Å; E1103-R1105 VanDerWaalsContact C-N 3.29Å; E1103-R1105 PolarHBondContact O-N 3.22Å; R1105-F1109 WeakPolarHBondContact O-CB 3.26Å; R1105-F1109 PolarHBondContact O-N 2.88Å
1106	R	52.2	Low	46.3	Very low	92 Å²	92	89 Å²	89	35%	0.347	44%	0.438	S	S	.	.	H	α-helix	trans	-65.6	-45	177.1	-163.3	171	78.2	118.8	6.3	111	Q1102 E1103 F1109 N1110	Q1102-R1106 WeakPolarHBondContact O-CB 3.46Å; Q1102-R1106 PolarHBondContact O-N 3.13Å; E1103-R1106 VanDerWaalsContact CD-NE 3.34Å; E1103-R1106 CarbonylContact O-C 3.58Å; E1103-R1106 WeakPolarHBondContact O-CA 3.48Å; E1103-R1106 WeakPolarHBondContact O-CB 3.34Å; E1103-R1106 PolarHBondContact O-N 3.3Å; E1103-R1106 IonicContact OE1-CZ 2.8Å; E1103-R1106 IonicContact OE1-NE 2.75Å; E1103-R1106 PolarHBondContact OE1-NE 3.5Å; E1103-R1106 IonicContact OE1-NH2 2.68Å; E1103-R1106 PolarHBondContact OE1-NH2 3.4Å; E1103-R1106 IonicContact OE2-CZ 2.81Å; E1103-R1106 IonicContact OE2-NE 3.62Å; E1103-R1106 PolarHBondContact OE2-NE 3Å; E1103-R1106 IonicContact OE2-NH2 2.84Å; R1106-F1109 PolarHBondContact O-N 2.92Å; R1106-N1110 WeakPolarHBondContact O-CB 3.23Å; R1106-N1110 PolarHBondContact O-N 2.99Å; R1106-N1110 PolarHBondContact O-OD1 2.71Å
1107	I	54.7	Low	46.3	Very low	85 Å²	85	89 Å²	89	44%	0.436	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-46	174.6	-65.3	164.2	0	0	0	110.8	E1103 F1109 N1110 N1111	E1103-I1107 HydrophobicContact CG-CD1 4.15Å; E1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; E1103-I1107 PolarHBondContact O-N 3.47Å; I1107-F1109 VanDerWaalsContact C-N 3.34Å; I1107-F1109 PolarHBondContact O-N 3.43Å; I1107-N1110 PolarHBondContact O-N 2.81Å; I1107-N1111 VanDerWaalsContact O-CB 3.26Å; I1107-N1111 WeakPolarHBondContact O-CB 3.29Å; I1107-N1111 PolarHBondContact O-N 2.84Å; I1107-N1111 PolarHBondContact O-OD1 2.77Å
1108	A	46.5	Very low	45.9	Very low	54 Å²	54	88.3 Å²	88.3	45%	0.446	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-38.5	177.8	0	0	0	0	0	112.7	A1104 Y1112	A1104-A1108 WeakPolarHBondContact O-CB 3.46Å; A1104-A1108 PolarHBondContact O-N 2.84Å; A1108-Y1112 WeakPolarHBondContact O-CB 3.46Å; A1108-Y1112 PolarHBondContact O-N 2.91Å
1109	F	44.7	Very low	45.2	Very low	90 Å²	90	89.5 Å²	89.5	40%	0.395	44%	0.444	S	S	.	.	H	α-helix	trans	-67.6	-50.1	174.1	-175.1	-93.2	0	0	0	111.1	R1105 R1106 I1107 N1111 Y1112 Y1113	R1105-F1109 WeakPolarHBondContact O-CB 3.26Å; R1105-F1109 PolarHBondContact O-N 2.88Å; R1106-F1109 PolarHBondContact O-N 2.92Å; I1107-F1109 VanDerWaalsContact C-N 3.34Å; I1107-F1109 PolarHBondContact O-N 3.43Å; F1109-N1111 PolarHBondContact O-N 3.25Å; F1109-Y1112 PolarHBondContact O-N 3.08Å; F1109-Y1113 HydrophobicContact CE1-CD2 4.13Å; F1109-Y1113 HydrophobicContact CE1-CG 4.43Å; F1109-Y1113 HydrophobicContact CZ-CD2 4.17Å; F1109-Y1113 VanDerWaalsContact O-CB 3.3Å; F1109-Y1113 WeakPolarHBondContact O-CB 3.4Å; F1109-Y1113 PolarHBondContact O-N 3.41Å
1110	N	50.4	Low	44.6	Very low	66 Å²	66	92.9 Å²	92.9	35%	0.353	45%	0.454	S	S	.	.	H	α-helix	trans	-60.3	-44.6	178.6	-72.8	10.7	0	0	0	111.6	R1106 I1107 Y1112 Y1113 E1114	R1106-N1110 WeakPolarHBondContact O-CB 3.23Å; R1106-N1110 PolarHBondContact O-N 2.99Å; R1106-N1110 PolarHBondContact O-OD1 2.71Å; I1107-N1110 PolarHBondContact O-N 2.81Å; N1110-Y1112 VanDerWaalsContact C-N 3.28Å; N1110-Y1112 PolarHBondContact O-N 3.24Å; N1110-Y1113 CarbonylContact O-C 3.57Å; N1110-Y1113 PolarHBondContact O-N 2.84Å; N1110-E1114 WeakPolarHBondContact O-CB 3.12Å; N1110-E1114 PolarHBondContact O-N 2.93Å
1111	N	48	Very low	43.8	Very low	96 Å²	96	93.7 Å²	93.7	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-66	-30.3	178	-67.8	5.8	0	0	0	112.4	I1107 F1109 K1115	I1107-N1111 VanDerWaalsContact O-CB 3.26Å; I1107-N1111 WeakPolarHBondContact O-CB 3.29Å; I1107-N1111 PolarHBondContact O-N 2.84Å; I1107-N1111 PolarHBondContact O-OD1 2.77Å; F1109-N1111 PolarHBondContact O-N 3.25Å; N1111-K1115 WeakPolarHBondContact O-CB 3.43Å; N1111-K1115 PolarHBondContact O-N 3.39Å; N1111-K1115 VanDerWaalsContact O-N 3.11Å
1112	Y	44.9	Very low	43	Very low	65 Å²	65	96.5 Å²	96.5	26%	0.255	47%	0.472	S	S	.	.	H	α-helix	trans	-75	-39.8	172.8	-174.7	-105.4	0	0	0	111.5	L1077 I1080 A1108 F1109 N1110 K1115 I1116	L1077-Y1112 HydrophobicContact CD2-CD1 4.43Å; L1077-Y1112 HydrophobicContact CD2-CE1 3.76Å; L1077-Y1112 HydrophobicContact CG-CE1 4.29Å; I1080-Y1112 HydrophobicContact CD1-CD2 4.11Å; I1080-Y1112 HydrophobicContact CD1-CE1 4.42Å; I1080-Y1112 HydrophobicContact CD1-CE2 3.59Å; A1108-Y1112 WeakPolarHBondContact O-CB 3.46Å; A1108-Y1112 PolarHBondContact O-N 2.91Å; F1109-Y1112 PolarHBondContact O-N 3.08Å; N1110-Y1112 VanDerWaalsContact C-N 3.28Å; N1110-Y1112 PolarHBondContact O-N 3.24Å; Y1112-K1115 PolarHBondContact O-N 3.12Å; Y1112-I1116 HydrophobicContact CD1-CD1 3.73Å; Y1112-I1116 HydrophobicContact CE1-CD1 3.48Å; Y1112-I1116 VanDerWaalsContact CE1-CD1 3.48Å; Y1112-I1116 HydrophobicContact CG-CD1 4.47Å; Y1112-I1116 WeakPolarHBondContact O-CG1 3.47Å; Y1112-I1116 PolarHBondContact O-N 3.39Å
1113	Y	43.1	Very low	41.9	Very low	98 Å²	98	96.9 Å²	96.9	38%	0.384	48%	0.477	S	S	.	.	H	α-helix	trans	-68.7	-43.8	177.9	-156.5	-101.9	0	0	0	111.6	F1109 N1110 I1116 L1117	F1109-Y1113 HydrophobicContact CE1-CD2 4.13Å; F1109-Y1113 HydrophobicContact CE1-CG 4.43Å; F1109-Y1113 HydrophobicContact CZ-CD2 4.17Å; F1109-Y1113 VanDerWaalsContact O-CB 3.3Å; F1109-Y1113 WeakPolarHBondContact O-CB 3.4Å; F1109-Y1113 PolarHBondContact O-N 3.41Å; N1110-Y1113 CarbonylContact O-C 3.57Å; N1110-Y1113 PolarHBondContact O-N 2.84Å; Y1113-I1116 WeakPolarHBondContact O-CA 3.26Å; Y1113-I1116 WeakPolarHBondContact O-CB 3.49Å; Y1113-I1116 PolarHBondContact O-N 3.33Å; Y1113-I1116 VanDerWaalsContact O-N 3.09Å; Y1113-L1117 HydrophobicContact CD1-CD1 3.64Å; Y1113-L1117 HydrophobicContact CD1-CG 4.4Å; Y1113-L1117 HydrophobicContact CE1-CD1 3.68Å; Y1113-L1117 HydrophobicContact CE1-CG 4.47Å; Y1113-L1117 WeakPolarHBondContact O-CG 3.47Å; Y1113-L1117 PolarHBondContact O-N 2.73Å
1114	E	41.7	Very low	40.8	Very low	129 Å²	129	97.9 Å²	97.9	60%	0.603	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-38.7	169.9	-74.4	-157.4	158	0	0	111.8	N1110 I1116 L1117 S1118	N1110-E1114 WeakPolarHBondContact O-CB 3.12Å; N1110-E1114 PolarHBondContact O-N 2.93Å; E1114-I1116 PolarHBondContact O-N 2.75Å; E1114-L1117 PolarHBondContact O-N 2.67Å; E1114-L1117 VanDerWaalsContact O-N 3.11Å; E1114-S1118 WeakPolarHBondContact O-CB 3.43Å; E1114-S1118 PolarHBondContact O-N 2.89Å; E1114-S1118 PolarHBondContact O-OG 3.33Å
1115	K	44.9	Very low	39.9	Very low	164 Å²	164	100.1 Å²	100.1	71%	0.713	49%	0.493	S	S	*	.	H	α-helix	trans	-63.6	-26.7	171.3	-100.5	-174.7	170.6	179.1	0	113.7	N1111 Y1112	N1111-K1115 WeakPolarHBondContact O-CB 3.43Å; N1111-K1115 PolarHBondContact O-N 3.39Å; N1111-K1115 VanDerWaalsContact O-N 3.11Å; Y1112-K1115 PolarHBondContact O-N 3.12Å
1116	I	38.8	Very low	39	Very low	55 Å²	55	98.2 Å²	98.2	28%	0.282	50%	0.501	S	S	.	.	H	α-helix	trans	-76.6	-32.2	173.6	-74.4	166.4	0	0	0	111.2	Y1112 Y1113 E1114 L1122	Y1112-I1116 HydrophobicContact CD1-CD1 3.73Å; Y1112-I1116 HydrophobicContact CE1-CD1 3.48Å; Y1112-I1116 VanDerWaalsContact CE1-CD1 3.48Å; Y1112-I1116 HydrophobicContact CG-CD1 4.47Å; Y1112-I1116 WeakPolarHBondContact O-CG1 3.47Å; Y1112-I1116 PolarHBondContact O-N 3.39Å; Y1113-I1116 WeakPolarHBondContact O-CA 3.26Å; Y1113-I1116 WeakPolarHBondContact O-CB 3.49Å; Y1113-I1116 PolarHBondContact O-N 3.33Å; Y1113-I1116 VanDerWaalsContact O-N 3.09Å; E1114-I1116 PolarHBondContact O-N 2.75Å; I1116-L1122 HydrophobicContact CG2-CD1 3.59Å
1117	L	35.2	Very low	37.8	Very low	121 Å²	121	98 Å²	98	63%	0.634	50%	0.5	S	S	*	.	H	α-helix	trans	-90.9	-33.3	-177.3	-69	173	0	0	0	114.9	Y1113 E1114	Y1113-L1117 HydrophobicContact CD1-CD1 3.64Å; Y1113-L1117 HydrophobicContact CD1-CG 4.4Å; Y1113-L1117 HydrophobicContact CE1-CD1 3.68Å; Y1113-L1117 HydrophobicContact CE1-CG 4.47Å; Y1113-L1117 WeakPolarHBondContact O-CG 3.47Å; Y1113-L1117 PolarHBondContact O-N 2.73Å; E1114-L1117 PolarHBondContact O-N 2.67Å; E1114-L1117 VanDerWaalsContact O-N 3.11Å
1118	S	35.1	Very low	36.7	Very low	84 Å²	84	96.1 Å²	96.1	59%	0.587	50%	0.495	S	S	*	.	H	α-helix	trans	-90.9	-28	-158.5	68.9	0	0	0	0	116.1	E1114	E1114-S1118 WeakPolarHBondContact O-CB 3.43Å; E1114-S1118 PolarHBondContact O-N 2.89Å; E1114-S1118 PolarHBondContact O-OG 3.33Å
1119	R	30.3	Very low	36.1	Very low	194 Å²	194	101.2 Å²	101.2	73%	0.732	51%	0.507	S	S	*	.	S	Bend	trans	-145.1	119.6	177.5	-66.1	-169.7	178.6	-176.1	-1.4	114	C1121	R1119-C1121 PolarHBondContact O-N 2.99Å
1120	Q	33.1	Very low	35.5	Very low	109 Å²	109	100 Å²	100	51%	0.509	50%	0.502	S	S	.	.	S	Bend	trans	57	-26.9	158.8	-67.4	163.6	-27.6	0	0	119.9	L1122 N1123 D1586	Q1120-L1122 VanDerWaalsContact C-N 3.28Å; Q1120-L1122 PolarHBondContact O-N 2.85Å; Q1120-L1122 VanDerWaalsContact O-N 3.17Å; Q1120-N1123 PolarHBondContact O-N 2.99Å; Q1120-D1586 PolarHBondContact NE2-OD1 2.88Å
1121	C	32	Very low	34.6	Very low	81 Å²	81	100 Å²	100	55%	0.547	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-2	-168.3	-82.7	0	0	0	0	116.5	R1073 R1119	R1073-C1121 PolarHBondContact NH2-O 2.93Å; R1119-C1121 PolarHBondContact O-N 2.99Å
1122	L	29	Very low	33.7	Very low	91 Å²	91	97.4 Å²	97.4	48%	0.476	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137	30.3	170.8	-84.8	179	0	0	0	112.5	I1116 Q1120 L1124	I1116-L1122 HydrophobicContact CG2-CD1 3.59Å; Q1120-L1122 VanDerWaalsContact C-N 3.28Å; Q1120-L1122 PolarHBondContact O-N 2.85Å; Q1120-L1122 VanDerWaalsContact O-N 3.17Å; L1122-L1124 PolarHBondContact O-N 3.22Å
1123	N	29	Very low	33.2	Very low	102 Å²	102	97.9 Å²	97.9	55%	0.545	50%	0.495	S	S	.	.			trans	-67.4	80.5	171.5	-104	2.4	0	0	0	111.5	Q1120 T1125	Q1120-N1123 PolarHBondContact O-N 2.99Å; N1123-T1125 PolarHBondContact O-N 3.4Å
1124	L	29.3	Very low	33	Very low	95 Å²	95	102.4 Å²	102.4	50%	0.497	52%	0.52	S	S	.	.			trans	-75.3	12.4	166.1	-79.4	158	0	0	0	111.9	L1122 S1126 Y1127 S1128 L1131	L1122-L1124 PolarHBondContact O-N 3.22Å; L1124-S1126 PolarHBondContact O-N 3.47Å; L1124-S1126 VanDerWaalsContact O-N 3.11Å; L1124-Y1127 CarbonylContact O-C 3.59Å; L1124-Y1127 WeakPolarHBondContact O-CA 3.38Å; L1124-Y1127 PolarHBondContact O-N 2.94Å; L1124-S1128 WeakPolarHBondContact O-CA 3.45Å; L1124-S1128 WeakPolarHBondContact O-CB 3.32Å; L1124-S1128 PolarHBondContact O-N 3.29Å; L1124-L1131 HydrophobicContact CD2-CD1 4.06Å
1125	T	29.9	Very low	32.9	Very low	95 Å²	95	101.4 Å²	101.4	58%	0.583	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.9	-161.8	40.7	0	0	0	0	114.9	N1123	N1123-T1125 PolarHBondContact O-N 3.4Å
1126	S	27.2	Very low	32.8	Very low	96 Å²	96	96.8 Å²	96.8	67%	0.671	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.8	169.6	52	0	0	0	0	114.6	L1124	L1124-S1126 PolarHBondContact O-N 3.47Å; L1124-S1126 VanDerWaalsContact O-N 3.11Å
1127	Y	26.7	Very low	33.1	Very low	87 Å²	87	98.2 Å²	98.2	34%	0.341	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-5.2	-169.2	-87.2	-71.1	0	0	0	117.5	L1124 K1129 E1130 L1131	L1124-Y1127 CarbonylContact O-C 3.59Å; L1124-Y1127 WeakPolarHBondContact O-CA 3.38Å; L1124-Y1127 PolarHBondContact O-N 2.94Å; Y1127-K1129 PolarHBondContact O-N 2.86Å; Y1127-E1130 HydrophobicContact CD1-CB 4.44Å; Y1127-E1130 PolarHBondContact O-N 2.64Å; Y1127-L1131 PolarHBondContact O-N 3.32Å; Y1127-L1131 VanDerWaalsContact O-N 3.12Å
1128	S	30.3	Very low	33.5	Very low	46 Å²	46	96.4 Å²	96.4	32%	0.322	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn		71.9	-59.3	50.4	-179.1	0	0	0	0	109	N909 L1124	N909-S1128 WeakPolarHBondContact CB-O 3.41Å; N909-S1128 PolarHBondContact OD1-O 3.06Å; N909-S1128 VanDerWaalsContact OD1-O 3.11Å; L1124-S1128 WeakPolarHBondContact O-CA 3.45Å; L1124-S1128 WeakPolarHBondContact O-CB 3.32Å; L1124-S1128 PolarHBondContact O-N 3.29Å
1129	K	35.1	Very low	33.9	Very low	161 Å²	161	94.8 Å²	94.8	70%	0.7	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	19.9	166.3	-88	-179.1	177.4	174.9	0	116.4	N909 G910 L911 Y1127	N909-K1129 CarbonylContact C-O 3.58Å; N909-K1129 CarbonylContact O-C 3.56Å; G910-K1129 WeakPolarHBondContact CA-O 3.31Å; G910-K1129 PolarHBondContact N-O 2.8Å; G910-K1129 VanDerWaalsContact N-O 3.1Å; L911-K1129 PolarHBondContact N-O 3.23Å; Y1127-K1129 PolarHBondContact O-N 2.86Å
1130	E	31.6	Very low	34.9	Very low	64 Å²	64	87.9 Å²	87.9	30%	0.299	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-1.8	177.2	-84.2	156	-125.9	0	0	118.1	N909 K912 Y1127	N909-E1130 CarbonylContact O-C 3.53Å; N909-E1130 WeakPolarHBondContact O-CA 3.48Å; N909-E1130 PolarHBondContact O-N 3.09Å; K912-E1130 VanDerWaalsContact CB-CD 3.48Å; K912-E1130 HydrophobicContact CB-CG 3.79Å; K912-E1130 WeakPolarHBondContact CD-OE1 3.48Å; K912-E1130 VanDerWaalsContact CD-OE2 3.25Å; K912-E1130 WeakPolarHBondContact CD-OE2 3.08Å; K912-E1130 WeakPolarHBondContact CE-OE1 3.24Å; K912-E1130 VanDerWaalsContact CG-CD 3.49Å; K912-E1130 HydrophobicContact CG-CG 4.29Å; K912-E1130 WeakPolarHBondContact CG-OE1 3.42Å; K912-E1130 IonicContact NZ-OE1 3.47Å; K912-E1130 PolarHBondContact NZ-OE1 3.1Å; K912-E1130 IonicContact NZ-OE2 2.82Å; K912-E1130 PolarHBondContact NZ-OE2 3.01Å; Y1127-E1130 HydrophobicContact CD1-CB 4.44Å; Y1127-E1130 PolarHBondContact O-N 2.64Å
1131	L	30.8	Very low	36	Very low	66 Å²	66	86.6 Å²	86.6	35%	0.346	45%	0.452	S	S	.	.			trans	-97.5	24.1	177.8	-75.9	161.8	0	0	0	115.5	N909 L1124 Y1127 I1139	N909-L1131 PolarHBondContact O-N 2.81Å; L1124-L1131 HydrophobicContact CD2-CD1 4.06Å; Y1127-L1131 PolarHBondContact O-N 3.32Å; Y1127-L1131 VanDerWaalsContact O-N 3.12Å; L1131-I1139 HydrophobicContact CD2-CD1 3.68Å
1132	N	30.3	Very low	36.6	Very low	42 Å²	42	87.2 Å²	87.2	23%	0.225	45%	0.45	C	S	.	.			trans	-79.5	131.9	145	-80.3	7.6	0	0	0	105.7	S908 N909	S908-N1132 VanDerWaalsContact C-ND2 3.32Å; S908-N1132 WeakPolarHBondContact CB-OD1 3.45Å; S908-N1132 VanDerWaalsContact OG-CG 3.31Å; S908-N1132 PolarHBondContact OG-ND2 3.05Å; S908-N1132 PolarHBondContact OG-OD1 3.49Å; N909-N1132 PolarHBondContact N-ND2 3.23Å; N909-N1132 PolarHBondContact N-OD1 3.18Å; N909-N1132 WeakPolarHBondContact O-CB 3.48Å; N909-N1132 PolarHBondContact O-N 3.42Å
1133	N	33.6	Very low	37.4	Very low	75 Å²	75	88.7 Å²	88.7	40%	0.401	45%	0.452	S	S	.	.				-129.6	167.5	65.9	-59.4	-79.2	0	0	0	112	E1135 D1136	N1133-E1135 HydrophobicContact CB-CB 3.67Å; N1133-E1135 HydrophobicContact CB-CG 3.86Å; N1133-E1135 VanDerWaalsContact CB-N 3.3Å; N1133-E1135 PolarHBondContact O-N 2.94Å; N1133-D1136 PolarHBondContact O-N 3.2Å
1134	E	38.5	Very low	38.8	Very low	193 Å²	193	89.5 Å²	89.5	90%	0.902	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	5.1	156	-62.3	175.2	146.6	0	0	111.3
1135	E	39.7	Very low	40.3	Very low	108 Å²	108	92.1 Å²	92.1	51%	0.505	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	7.4	174.7	-48	176.9	-179.2	0	0	114.3	K98 N1133	K98-E1135 VanDerWaalsContact CE-O 3.25Å; K98-E1135 WeakPolarHBondContact CE-O 3.49Å; K98-E1135 IonicContact NZ-OE2 2.67Å; K98-E1135 PolarHBondContact NZ-OE2 3.5Å; N1133-E1135 HydrophobicContact CB-CB 3.67Å; N1133-E1135 HydrophobicContact CB-CG 3.86Å; N1133-E1135 VanDerWaalsContact CB-N 3.3Å; N1133-E1135 PolarHBondContact O-N 2.94Å
1136	D	42.8	Very low	41.1	Very low	68 Å²	68	93.1 Å²	93.1	36%	0.364	46%	0.457	S	S	.	.			trans	-109.8	86.4	179.3	-151.8	-8.1	0	0	0	110.7	N1133 E1138 I1139 T1140	N1133-D1136 PolarHBondContact O-N 3.2Å; D1136-E1138 PolarHBondContact O-N 2.92Å; D1136-I1139 HydrophobicContact CB-CD1 4.45Å; D1136-I1139 PolarHBondContact O-N 2.97Å; D1136-T1140 PolarHBondContact O-N 2.98Å; D1136-T1140 VanDerWaalsContact O-N 3.1Å; D1136-T1140 PolarHBondContact O-OG1 3.17Å
1137	E	45.2	Very low	42.6	Very low	84 Å²	84	92.9 Å²	92.9	39%	0.393	45%	0.448	S	S	.	.	H	α-helix	trans	-55.5	-39.4	-163.4	-65.4	-170.4	150.1	0	0	114.8	F100 I1139 T1140 L1141	F100-E1137 WeakPolarHBondContact CE2-OE1 3.44Å; F100-E1137 WeakPolarHBondContact CE2-OE2 3.38Å; E1137-I1139 PolarHBondContact O-N 3.1Å; E1137-T1140 PolarHBondContact O-N 3.25Å; E1137-L1141 WeakPolarHBondContact O-CB 3.1Å; E1137-L1141 PolarHBondContact O-N 3.07Å
1138	E	43.4	Very low	44	Very low	83 Å²	83	91.7 Å²	91.7	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-62.8	-33.2	-179.6	-69.5	-164.3	137.1	0	0	111.9	D1136 L1142	D1136-E1138 PolarHBondContact O-N 2.92Å; E1138-L1142 VanDerWaalsContact O-CB 3.32Å; E1138-L1142 WeakPolarHBondContact O-CB 3.24Å; E1138-L1142 WeakPolarHBondContact O-CD1 3.31Å; E1138-L1142 VanDerWaalsContact O-CG 3.3Å; E1138-L1142 WeakPolarHBondContact O-CG 3.19Å; E1138-L1142 PolarHBondContact O-N 3.29Å
1139	I	43.8	Very low	45.1	Very low	51 Å²	51	94 Å²	94	26%	0.262	46%	0.462	S	S	.	.	H	α-helix	trans	-81.2	-38.5	178.7	-65.9	164.1	0	0	0	110.4	L1131 D1136 E1137 L1142 K1143	L1131-I1139 HydrophobicContact CD2-CD1 3.68Å; D1136-I1139 HydrophobicContact CB-CD1 4.45Å; D1136-I1139 PolarHBondContact O-N 2.97Å; E1137-I1139 PolarHBondContact O-N 3.1Å; I1139-L1142 PolarHBondContact O-N 2.68Å; I1139-K1143 WeakPolarHBondContact O-CG 3.42Å; I1139-K1143 PolarHBondContact O-N 3.18Å
1140	T	51	Low	45.5	Very low	48 Å²	48	91.2 Å²	91.2	29%	0.294	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-46.1	172.8	-52.2	0	0	0	0	110.7	D1136 E1137 L1142 K1143 E1144	D1136-T1140 PolarHBondContact O-N 2.98Å; D1136-T1140 VanDerWaalsContact O-N 3.1Å; D1136-T1140 PolarHBondContact O-OG1 3.17Å; E1137-T1140 PolarHBondContact O-N 3.25Å; T1140-L1142 VanDerWaalsContact C-N 3.34Å; T1140-L1142 PolarHBondContact O-N 3.35Å; T1140-K1143 WeakPolarHBondContact O-CB 3.47Å; T1140-K1143 PolarHBondContact O-N 3.22Å; T1140-K1143 VanDerWaalsContact O-N 3.16Å; T1140-E1144 WeakPolarHBondContact O-CG 3.22Å; T1140-E1144 PolarHBondContact O-N 3.36Å
1141	L	58	Low	46.8	Very low	83 Å²	83	93.4 Å²	93.4	44%	0.435	46%	0.461	S	S	.	.	H	α-helix	trans	-72	-25.3	179.6	-162.8	145	0	0	0	112.6	E1137 R1145	E1137-L1141 WeakPolarHBondContact O-CB 3.1Å; E1137-L1141 PolarHBondContact O-N 3.07Å; L1141-R1145 HydrophobicContact CD2-CG 4.5Å; L1141-R1145 VanDerWaalsContact O-CB 3.32Å; L1141-R1145 WeakPolarHBondContact O-CB 3.43Å; L1141-R1145 WeakPolarHBondContact O-CG 3.36Å; L1141-R1145 PolarHBondContact O-N 3.21Å
1142	L	43.6	Very low	47.9	Very low	94 Å²	94	93.9 Å²	93.9	49%	0.492	47%	0.468	S	S	.	.	H	α-helix	trans	-72.1	-41.4	166.4	-85.9	165.9	0	0	0	112.5	E1138 I1139 T1140 R1145 L1146	E1138-L1142 VanDerWaalsContact O-CB 3.32Å; E1138-L1142 WeakPolarHBondContact O-CB 3.24Å; E1138-L1142 WeakPolarHBondContact O-CD1 3.31Å; E1138-L1142 VanDerWaalsContact O-CG 3.3Å; E1138-L1142 WeakPolarHBondContact O-CG 3.19Å; E1138-L1142 PolarHBondContact O-N 3.29Å; I1139-L1142 PolarHBondContact O-N 2.68Å; T1140-L1142 VanDerWaalsContact C-N 3.34Å; T1140-L1142 PolarHBondContact O-N 3.35Å; L1142-R1145 PolarHBondContact O-N 2.8Å; L1142-L1146 WeakPolarHBondContact O-CG 3.42Å; L1142-L1146 PolarHBondContact O-N 2.8Å
1143	K	46.3	Very low	48.6	Very low	122 Å²	122	96.1 Å²	96.1	53%	0.53	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-46.9	172.6	-75	174.5	179.9	175.2	0	111.1	I1139 T1140 R1145 L1146 L1147	I1139-K1143 WeakPolarHBondContact O-CG 3.42Å; I1139-K1143 PolarHBondContact O-N 3.18Å; T1140-K1143 WeakPolarHBondContact O-CB 3.47Å; T1140-K1143 PolarHBondContact O-N 3.22Å; T1140-K1143 VanDerWaalsContact O-N 3.16Å; K1143-R1145 VanDerWaalsContact C-N 3.31Å; K1143-R1145 PolarHBondContact O-N 3.01Å; K1143-L1146 PolarHBondContact O-N 2.69Å; K1143-L1147 WeakPolarHBondContact O-CB 3.48Å; K1143-L1147 PolarHBondContact O-N 2.85Å
1144	E	59	Low	49.5	Very low	119 Å²	119	95.2 Å²	95.2	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-60.1	-39.3	174.4	-74.3	-170.6	139.7	0	0	112.1	T1140 T1148	T1140-E1144 WeakPolarHBondContact O-CG 3.22Å; T1140-E1144 PolarHBondContact O-N 3.36Å; E1144-T1148 VanDerWaalsContact O-CB 3.29Å; E1144-T1148 WeakPolarHBondContact O-CB 3.31Å; E1144-T1148 VanDerWaalsContact O-CG2 3.31Å; E1144-T1148 WeakPolarHBondContact O-CG2 3.14Å; E1144-T1148 PolarHBondContact O-N 2.89Å; E1144-T1148 PolarHBondContact O-OG1 3.2Å
1145	R	60.1	Low	50.4	Low	149 Å²	149	91.9 Å²	91.9	56%	0.562	46%	0.457	S	S	*	.	H	α-helix	trans	-66.5	-40.3	175.1	-81.8	175.1	175.7	-160.4	-1.6	113.1	L1141 L1142 K1143 T1148 T1149	L1141-R1145 HydrophobicContact CD2-CG 4.5Å; L1141-R1145 VanDerWaalsContact O-CB 3.32Å; L1141-R1145 WeakPolarHBondContact O-CB 3.43Å; L1141-R1145 WeakPolarHBondContact O-CG 3.36Å; L1141-R1145 PolarHBondContact O-N 3.21Å; L1142-R1145 PolarHBondContact O-N 2.8Å; K1143-R1145 VanDerWaalsContact C-N 3.31Å; K1143-R1145 PolarHBondContact O-N 3.01Å; R1145-T1148 WeakPolarHBondContact CA-OG1 3.44Å; R1145-T1148 PolarHBondContact O-OG1 2.68Å; R1145-T1149 VanDerWaalsContact O-CB 3.28Å; R1145-T1149 WeakPolarHBondContact O-CB 3.4Å; R1145-T1149 PolarHBondContact O-N 3.41Å; R1145-T1149 PolarHBondContact O-OG1 3.49Å
1146	L	46.5	Very low	50.9	Low	116 Å²	116	91.3 Å²	91.3	61%	0.607	46%	0.457	S	S	*	.	H	α-helix	trans	-64.3	-50.8	174	-77.7	162.5	0	0	0	110.4	L1142 K1143 T1148 T1149 E1150	L1142-L1146 WeakPolarHBondContact O-CG 3.42Å; L1142-L1146 PolarHBondContact O-N 2.8Å; K1143-L1146 PolarHBondContact O-N 2.69Å; L1146-T1148 PolarHBondContact O-N 2.88Å; L1146-T1149 WeakPolarHBondContact O-CB 3.32Å; L1146-T1149 PolarHBondContact O-N 2.91Å; L1146-T1149 VanDerWaalsContact O-N 3.12Å; L1146-E1150 WeakPolarHBondContact O-CB 3.31Å; L1146-E1150 PolarHBondContact O-N 2.9Å
1147	L	57.5	Low	51	Low	91 Å²	91	92.1 Å²	92.1	48%	0.476	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-40.9	179.7	-158.9	93.4	0	0	0	112.4	K1143 E1150 Q1151	K1143-L1147 WeakPolarHBondContact O-CB 3.48Å; K1143-L1147 PolarHBondContact O-N 2.85Å; L1147-E1150 PolarHBondContact O-N 2.91Å; L1147-Q1151 VanDerWaalsContact O-CB 3.3Å; L1147-Q1151 WeakPolarHBondContact O-CB 3.43Å; L1147-Q1151 VanDerWaalsContact O-CG 3.23Å; L1147-Q1151 WeakPolarHBondContact O-CG 3.35Å; L1147-Q1151 PolarHBondContact O-N 2.82Å
1148	T	57.7	Low	51.3	Low	63 Å²	63	93.2 Å²	93.2	39%	0.387	47%	0.466	S	S	.	.	H	α-helix	trans	-72	-30.2	175.4	51	0	0	0	0	112.4	E1144 R1145 L1146 T1152	E1144-T1148 VanDerWaalsContact O-CB 3.29Å; E1144-T1148 WeakPolarHBondContact O-CB 3.31Å; E1144-T1148 VanDerWaalsContact O-CG2 3.31Å; E1144-T1148 WeakPolarHBondContact O-CG2 3.14Å; E1144-T1148 PolarHBondContact O-N 2.89Å; E1144-T1148 PolarHBondContact O-OG1 3.2Å; R1145-T1148 WeakPolarHBondContact CA-OG1 3.44Å; R1145-T1148 PolarHBondContact O-OG1 2.68Å; L1146-T1148 PolarHBondContact O-N 2.88Å; T1148-T1152 WeakPolarHBondContact O-CB 3.44Å; T1148-T1152 PolarHBondContact O-N 3.33Å; T1148-T1152 PolarHBondContact O-OG1 3.01Å
1149	T	52.8	Low	51.5	Low	94 Å²	94	93.6 Å²	93.6	58%	0.577	47%	0.467	S	S	*	.	H	α-helix	trans	-68.8	-42.6	172	-57.4	0	0	0	0	110.8	R1145 L1146 T1152 Y1153	R1145-T1149 VanDerWaalsContact O-CB 3.28Å; R1145-T1149 WeakPolarHBondContact O-CB 3.4Å; R1145-T1149 PolarHBondContact O-N 3.41Å; R1145-T1149 PolarHBondContact O-OG1 3.49Å; L1146-T1149 WeakPolarHBondContact O-CB 3.32Å; L1146-T1149 PolarHBondContact O-N 2.91Å; L1146-T1149 VanDerWaalsContact O-N 3.12Å; T1149-T1152 PolarHBondContact O-N 2.86Å; T1149-Y1153 WeakPolarHBondContact O-CB 3.35Å; T1149-Y1153 PolarHBondContact O-N 2.87Å
1150	E	44.1	Very low	51.6	Low	103 Å²	103	93.5 Å²	93.5	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-45.5	176.2	-177.3	174.9	-141.9	0	0	112.1	L1146 L1147 Y1153 S1154	L1146-E1150 WeakPolarHBondContact O-CB 3.31Å; L1146-E1150 PolarHBondContact O-N 2.9Å; L1147-E1150 PolarHBondContact O-N 2.91Å; E1150-Y1153 PolarHBondContact O-N 2.85Å; E1150-S1154 WeakPolarHBondContact O-CB 3.17Å; E1150-S1154 PolarHBondContact O-N 3.45Å; E1150-S1154 PolarHBondContact O-OG 2.91Å
1151	Q	57.8	Low	51.2	Low	109 Å²	109	94.3 Å²	94.3	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-43.6	171.1	-75.3	175	-1	0	0	111.7	L1147 Y1153 S1154 Q1155	L1147-Q1151 VanDerWaalsContact O-CB 3.3Å; L1147-Q1151 WeakPolarHBondContact O-CB 3.43Å; L1147-Q1151 VanDerWaalsContact O-CG 3.23Å; L1147-Q1151 WeakPolarHBondContact O-CG 3.35Å; L1147-Q1151 PolarHBondContact O-N 2.82Å; Q1151-Y1153 PolarHBondContact O-N 2.8Å; Q1151-S1154 PolarHBondContact O-N 3.46Å; Q1151-Q1155 VanDerWaalsContact O-CB 3.24Å; Q1151-Q1155 WeakPolarHBondContact O-CB 3.44Å; Q1151-Q1155 PolarHBondContact O-N 3.29Å
1152	T	54.7	Low	50.8	Low	77 Å²	77	93.8 Å²	93.8	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-40.4	178	-58.8	0	0	0	0	111.1	T1148 T1149 Q1155 I1156	T1148-T1152 WeakPolarHBondContact O-CB 3.44Å; T1148-T1152 PolarHBondContact O-N 3.33Å; T1148-T1152 PolarHBondContact O-OG1 3.01Å; T1149-T1152 PolarHBondContact O-N 2.86Å; T1152-Q1155 PolarHBondContact O-N 2.8Å; T1152-I1156 HydrophobicContact CG2-CD1 3.91Å; T1152-I1156 WeakPolarHBondContact O-CB 3.21Å; T1152-I1156 WeakPolarHBondContact O-CD1 3.47Å; T1152-I1156 WeakPolarHBondContact O-CG1 3.34Å; T1152-I1156 PolarHBondContact O-N 2.99Å
1153	Y	44.8	Very low	50.8	Low	89 Å²	89	95.3 Å²	95.3	35%	0.349	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-40.6	176.8	-163	-103.7	0	0	0	111.9	T1149 E1150 Q1151 I1156 Q1157	T1149-Y1153 WeakPolarHBondContact O-CB 3.35Å; T1149-Y1153 PolarHBondContact O-N 2.87Å; E1150-Y1153 PolarHBondContact O-N 2.85Å; Q1151-Y1153 PolarHBondContact O-N 2.8Å; Y1153-I1156 PolarHBondContact O-N 3.14Å; Y1153-Q1157 HydrophobicContact CE1-CG 4.49Å; Y1153-Q1157 VanDerWaalsContact CE1-NE2 3.34Å; Y1153-Q1157 PolarHBondContact O-N 2.94Å
1154	S	52.6	Low	50.7	Low	56 Å²	56	97.6 Å²	97.6	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-43.6	173.5	-58.2	0	0	0	0	111.6	E1150 Q1151 I1156 Q1157 I1158	E1150-S1154 WeakPolarHBondContact O-CB 3.17Å; E1150-S1154 PolarHBondContact O-N 3.45Å; E1150-S1154 PolarHBondContact O-OG 2.91Å; Q1151-S1154 PolarHBondContact O-N 3.46Å; S1154-I1156 VanDerWaalsContact C-N 3.33Å; S1154-I1156 PolarHBondContact O-N 3.46Å; S1154-Q1157 PolarHBondContact O-N 3.09Å; S1154-I1158 WeakPolarHBondContact O-CG1 3.44Å; S1154-I1158 PolarHBondContact O-N 2.76Å
1155	Q	56.9	Low	49.7	Very low	122 Å²	122	102.9 Å²	102.9	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-69	-31.8	177.3	-166.2	162.4	10.3	0	0	111.8	Q1151 T1152 I1158 E1159	Q1151-Q1155 VanDerWaalsContact O-CB 3.24Å; Q1151-Q1155 WeakPolarHBondContact O-CB 3.44Å; Q1151-Q1155 PolarHBondContact O-N 3.29Å; T1152-Q1155 PolarHBondContact O-N 2.8Å; Q1155-I1158 PolarHBondContact O-N 3.18Å; Q1155-E1159 WeakPolarHBondContact O-CB 3.17Å; Q1155-E1159 PolarHBondContact O-N 3Å
1156	I	49.8	Very low	48.6	Very low	96 Å²	96	101.8 Å²	101.8	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-67.8	-38.1	169	-73.1	166.2	0	0	0	111.5	T1152 Y1153 S1154 E1159 A1160	T1152-I1156 HydrophobicContact CG2-CD1 3.91Å; T1152-I1156 WeakPolarHBondContact O-CB 3.21Å; T1152-I1156 WeakPolarHBondContact O-CD1 3.47Å; T1152-I1156 WeakPolarHBondContact O-CG1 3.34Å; T1152-I1156 PolarHBondContact O-N 2.99Å; Y1153-I1156 PolarHBondContact O-N 3.14Å; S1154-I1156 VanDerWaalsContact C-N 3.33Å; S1154-I1156 PolarHBondContact O-N 3.46Å; I1156-E1159 PolarHBondContact O-N 3.01Å; I1156-A1160 WeakPolarHBondContact O-CB 3.41Å; I1156-A1160 PolarHBondContact O-N 3.15Å
1157	Q	45.7	Very low	47.9	Very low	86 Å²	86	102 Å²	102	40%	0.402	52%	0.52	S	S	.	.	H	α-helix	trans	-65.5	-40.9	172.7	-73.8	-170.8	8.8	0	0	112.1	Y1153 S1154 A1160 S1161	Y1153-Q1157 HydrophobicContact CE1-CG 4.49Å; Y1153-Q1157 VanDerWaalsContact CE1-NE2 3.34Å; Y1153-Q1157 PolarHBondContact O-N 2.94Å; S1154-Q1157 PolarHBondContact O-N 3.09Å; Q1157-A1160 PolarHBondContact O-N 2.91Å; Q1157-S1161 WeakPolarHBondContact O-CB 3.37Å; Q1157-S1161 PolarHBondContact O-N 2.89Å; Q1157-S1161 PolarHBondContact O-OG 3.41Å
1158	I	51	Low	46.7	Very low	106 Å²	106	107.1 Å²	107.1	54%	0.544	54%	0.538	S	S	.	.	H	α-helix	trans	-64.4	-48.1	174.5	-67	165.8	0	0	0	110.1	S1154 Q1155 A1160 S1161 V1162	S1154-I1158 WeakPolarHBondContact O-CG1 3.44Å; S1154-I1158 PolarHBondContact O-N 2.76Å; Q1155-I1158 PolarHBondContact O-N 3.18Å; I1158-A1160 PolarHBondContact O-N 3.43Å; I1158-S1161 PolarHBondContact O-N 3.36Å; I1158-S1161 PolarHBondContact O-OG 2.71Å; I1158-V1162 HydrophobicContact CG2-CG2 4.33Å; I1158-V1162 WeakPolarHBondContact O-CB 3.43Å; I1158-V1162 VanDerWaalsContact O-CG2 3.24Å; I1158-V1162 WeakPolarHBondContact O-CG2 3.47Å; I1158-V1162 PolarHBondContact O-N 3.09Å
1159	E	47.2	Very low	45.3	Very low	91 Å²	91	110.8 Å²	110.8	43%	0.425	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-36.2	176.5	-79.4	-164.5	-153.3	0	0	113.1	Q1155 I1156 K1163	Q1155-E1159 WeakPolarHBondContact O-CB 3.17Å; Q1155-E1159 PolarHBondContact O-N 3Å; I1156-E1159 PolarHBondContact O-N 3.01Å; E1159-K1163 WeakPolarHBondContact O-CB 3.37Å; E1159-K1163 WeakPolarHBondContact O-CD 3.13Å; E1159-K1163 WeakPolarHBondContact O-CG 3.4Å; E1159-K1163 PolarHBondContact O-N 3.09Å; E1159-K1163 WeakPolarHBondContact OE2-CE 3.31Å; E1159-K1163 IonicContact OE2-NZ 2.7Å; E1159-K1163 PolarHBondContact OE2-NZ 3.15Å
1160	A	45.9	Very low	44.3	Very low	50 Å²	50	111.1 Å²	111.1	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-68.7	-37.9	177.3	0	0	0	0	0	112.2	I1156 Q1157 I1158 K1164	I1156-A1160 WeakPolarHBondContact O-CB 3.41Å; I1156-A1160 PolarHBondContact O-N 3.15Å; Q1157-A1160 PolarHBondContact O-N 2.91Å; I1158-A1160 PolarHBondContact O-N 3.43Å; A1160-K1164 WeakPolarHBondContact O-CB 2.93Å; A1160-K1164 WeakPolarHBondContact O-CG 3.48Å; A1160-K1164 PolarHBondContact O-N 3Å; A1160-K1164 VanDerWaalsContact O-N 3.09Å
1161	S	44.4	Very low	43.6	Very low	65 Å²	65	114.6 Å²	114.6	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-74.3	-36.9	175.9	55.3	0	0	0	0	112.5	Q1157 I1158 R1165	Q1157-S1161 WeakPolarHBondContact O-CB 3.37Å; Q1157-S1161 PolarHBondContact O-N 2.89Å; Q1157-S1161 PolarHBondContact O-OG 3.41Å; I1158-S1161 PolarHBondContact O-N 3.36Å; I1158-S1161 PolarHBondContact O-OG 2.71Å; S1161-R1165 PolarHBondContact O-N 3.28Å
1162	V	47.6	Very low	42.4	Very low	71 Å²	71	117.4 Å²	117.4	43%	0.43	59%	0.594	S	S	.	*	H	α-helix	trans	-69.5	-44	173.3	171.5	0	0	0	0	111.6	I1158 K1164 R1165 L1166	I1158-V1162 HydrophobicContact CG2-CG2 4.33Å; I1158-V1162 WeakPolarHBondContact O-CB 3.43Å; I1158-V1162 VanDerWaalsContact O-CG2 3.24Å; I1158-V1162 WeakPolarHBondContact O-CG2 3.47Å; I1158-V1162 PolarHBondContact O-N 3.09Å; V1162-K1164 VanDerWaalsContact C-N 3.29Å; V1162-K1164 PolarHBondContact O-N 2.77Å; V1162-R1165 WeakPolarHBondContact O-CA 3.41Å; V1162-R1165 PolarHBondContact O-N 3.19Å; V1162-L1166 HydrophobicContact CG1-CD1 3.91Å; V1162-L1166 PolarHBondContact O-N 2.92Å
1163	K	44.4	Very low	41.2	Very low	127 Å²	127	122.2 Å²	122.2	55%	0.552	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-31	176	-72	167.6	-176.4	171.4	0	112	E1159 R1165 L1166	E1159-K1163 WeakPolarHBondContact O-CB 3.37Å; E1159-K1163 WeakPolarHBondContact O-CD 3.13Å; E1159-K1163 WeakPolarHBondContact O-CG 3.4Å; E1159-K1163 PolarHBondContact O-N 3.09Å; E1159-K1163 WeakPolarHBondContact OE2-CE 3.31Å; E1159-K1163 IonicContact OE2-NZ 2.7Å; E1159-K1163 PolarHBondContact OE2-NZ 3.15Å; K1163-R1165 PolarHBondContact O-N 3.46Å; K1163-L1166 PolarHBondContact O-N 3.13Å
1164	K	44.1	Very low	40.5	Very low	170 Å²	170	124.7 Å²	124.7	74%	0.739	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-17.5	167.9	-83.3	-176.1	175.5	-177.2	0	114.3	A1160 V1162	A1160-K1164 WeakPolarHBondContact O-CB 2.93Å; A1160-K1164 WeakPolarHBondContact O-CG 3.48Å; A1160-K1164 PolarHBondContact O-N 3Å; A1160-K1164 VanDerWaalsContact O-N 3.09Å; V1162-K1164 VanDerWaalsContact C-N 3.29Å; V1162-K1164 PolarHBondContact O-N 2.77Å
1165	R	38.9	Very low	39.6	Very low	230 Å²	230	128 Å²	128	87%	0.868	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-7.5	176.2	-72.5	-176.2	174.5	-179	-0.7	114.6	S1161 V1162 K1163	S1161-R1165 PolarHBondContact O-N 3.28Å; V1162-R1165 WeakPolarHBondContact O-CA 3.41Å; V1162-R1165 PolarHBondContact O-N 3.19Å; K1163-R1165 PolarHBondContact O-N 3.46Å
1166	L	36.7	Very low	38.3	Very low	126 Å²	126	130 Å²	130	66%	0.66	65%	0.645	S	S	*	*	S	Bend	trans	-112.4	5.6	-174.7	-100	149.9	0	0	0	115.4	V1162 K1163	V1162-L1166 HydrophobicContact CG1-CD1 3.91Å; V1162-L1166 PolarHBondContact O-N 2.92Å; K1163-L1166 PolarHBondContact O-N 3.13Å
1167	V	32.1	Very low	37.5	Very low	119 Å²	119	134.8 Å²	134.8	72%	0.721	66%	0.659	S	S	*	*	S	Bend	trans	-124.5	66.8	178.2	-168.9	0	0	0	0	111.5
1168	K	32	Very low	36.9	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.865	67%	0.671	S	S	*	*			trans	-165.7	33.5	157.7	-113.4	165.2	-168.3	-179.8	0	116.6	S1170	K1168-S1170 VanDerWaalsContact C-N 3.34Å; K1168-S1170 PolarHBondContact O-N 2.83Å
1169	T	28.3	Very low	36	Very low	141 Å²	141	142.4 Å²	142.4	87%	0.865	68%	0.683	S	S	*	*			trans	-87.9	64.3	169.2	33.1	0	0	0	0	112.3
1170	S	31.2	Very low	35.3	Very low	101 Å²	101	144.6 Å²	144.6	71%	0.706	70%	0.702	S	S	*	*			trans	-151.8	104.8	175	15.7	0	0	0	0	114.3	K1168	K1168-S1170 VanDerWaalsContact C-N 3.34Å; K1168-S1170 PolarHBondContact O-N 2.83Å
1171	K	30.7	Very low	34.5	Very low	176 Å²	176	146 Å²	146	77%	0.765	72%	0.722	S	S	*	*			trans	54.8	119	142.1	-62.9	-178.6	-178.8	178	0	120.5
1172	Q	31.9	Very low	34	Very low	168 Å²	168	152 Å²	152	79%	0.785	74%	0.74	S	S	*	*				68.8	155.3	124.1	-67.5	167.3	-20.9	0	0	118.8
1173	K	28.5	Very low	33.2	Very low	178 Å²	178	157.7 Å²	157.7	77%	0.774	76%	0.758	S	S	*	*			cis	-179.9	151	-29.9	-131.2	-176.6	176.7	-174.9	0	105.4
1174	L	30.4	Very low	32.6	Very low	141 Å²	141	159.1 Å²	159.1	74%	0.738	77%	0.767	S	S	*	*			trans	66.3	164.2	163.7	-85.8	77.6	0	0	0	117.5
1175	I	33.6	Very low	32	Very low	126 Å²	126	159.8 Å²	159.8	65%	0.646	77%	0.77	S	S	*	*			cis	-160.9	157.7	-38	-125.2	-179.1	0	0	0	110.9
1176	K	29.1	Very low	31.3	Very low	163 Å²	163	156.2 Å²	156.2	71%	0.709	77%	0.767	S	S	*	*			trans	12.6	147.1	160.6	-54.1	174.2	-179.1	179.7	0	122.5
1177	Y	33.9	Very low	31	Very low	196 Å²	196	155.5 Å²	155.5	77%	0.769	77%	0.77	S	S	*	*				172.1	121.1	111.9	-104.9	-103.9	0	0	0	109
1178	H	32.4	Very low	30.7	Very low	142 Å²	142	157.8 Å²	157.8	66%	0.657	77%	0.773	S	S	*	*				61.5	145.9	104.1	-73.6	-65.3	0	0	0	116.9
1179	R	33.1	Very low	30.6	Very low	210 Å²	210	153.5 Å²	153.5	79%	0.792	77%	0.765	S	S	*	*			cis	-164.3	128.3	17.3	-128.1	170.5	-167.8	172.7	2.1	114.7
1180	T	31.3	Very low	30.4	Very low	137 Å²	137	151.2 Å²	151.2	84%	0.84	76%	0.756	S	S	*	*			trans	42.2	134.1	136.5	59.3	0	0	0	0	125.5
1181	G	30.7	Very low	30.2	Very low	79 Å²	79	154.8 Å²	154.8	81%	0.814	76%	0.761	S	S	*	*			trans	-163.7	51.8	172.8	0	0	0	0	0	122.3
1182	K	32.8	Very low	30	Very low	193 Å²	193	153.2 Å²	153.2	84%	0.839	76%	0.761	S	S	*	*			trans	40.2	120.6	150.9	-63.4	175.2	-179.8	171.8	0	125.1
1183	K	30.3	Very low	29.8	Very low	189 Å²	189	152 Å²	152	82%	0.822	76%	0.759	S	S	*	*			trans	67.9	156.3	133.3	-58.5	-175.9	175.5	-174	0	118.7
1184	Q	32.2	Very low	29.6	Very low	157 Å²	157	148 Å²	148	73%	0.734	75%	0.753	S	S	*	*			cis	-163	142	23.9	-153.4	165.2	11.6	0	0	114.4
1185	K	31.2	Very low	29.3	Very low	185 Å²	185	148.4 Å²	148.4	80%	0.804	76%	0.756	S	S	*	*			trans	45.6	140.6	157.9	-65	177.2	174.9	-171.9	0	121.7
1186	L	25.3	Very low	29	Very low	154 Å²	154	147.7 Å²	147.7	81%	0.806	76%	0.757	S	S	*	*			cis	70.5	145.2	48	-115.7	84.7	0	0	0	115.5
1187	P	28.9	Very low	28.8	Very low	111 Å²	111	148 Å²	148	72%	0.721	76%	0.758	S	S	*	*			cis	-115.8	-159.3	-12.3	39.7	-20.3	0	0	0	111.3
1188	Q	26.1	Very low	28.5	Very low	168 Å²	168	146.1 Å²	146.1	79%	0.785	76%	0.756	S	S	*	*			cis	81.4	147.3	10.1	-100.4	177.8	-37.4	0	0	118.9
1189	P	31.2	Very low	28.2	Very low	108 Å²	108	146.4 Å²	146.4	70%	0.701	76%	0.758	S	S	*	*				-131.7	-149.4	-61.6	40.8	-22.3	0	0	0	113.2
1190	S	24.4	Very low	28	Very low	94 Å²	94	144.7 Å²	144.7	66%	0.657	76%	0.758	S	S	*	*			trans	76.4	129.8	156.7	53.9	0	0	0	0	123.8
1191	E	26.4	Very low	27.7	Very low	175 Å²	175	143.2 Å²	143.2	82%	0.818	75%	0.749	S	S	*	*			trans	79.2	120.2	136.9	-73.6	160	-157.1	0	0	124
1192	D	25.5	Very low	27.4	Very low	143 Å²	143	146.3 Å²	146.3	77%	0.765	75%	0.746	S	S	*	*			trans	79.2	152.2	132.5	-80.7	17.3	0	0	0	126.3
1193	L	27.8	Very low	27.1	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	74%	0.744	S	S	*	*			trans	65.3	77.5	150.7	-74.5	162.1	0	0	0	121.5
1194	S	24.2	Very low	26.8	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	74%	0.74	S	S	*	*				71.3	166.9	116.8	78.1	0	0	0	0	122.1
1195	L	25.5	Very low	26.4	Very low	151 Å²	151	141.4 Å²	141.4	79%	0.791	74%	0.739	S	S	*	*			trans	69.8	116.6	163.6	-92	73.2	0	0	0	120.8
1196	V	26.3	Very low	26	Very low	110 Å²	110	137.9 Å²	137.9	67%	0.667	73%	0.733	S	S	*	*				82.4	110.8	124.8	170.8	0	0	0	0	120.6
1197	K	25.1	Very low	26.1	Very low	170 Å²	170	137.5 Å²	137.5	74%	0.739	73%	0.73	S	S	*	*			trans	47.7	129.5	138.4	-57.6	176.3	-170.9	173.5	0	119.6
1198	H	27.8	Very low	25.9	Very low	156 Å²	156	137.2 Å²	137.2	72%	0.722	73%	0.727	S	S	*	*				-149.4	134.4	81.1	-96.1	-87.9	0	0	0	107.8
1199	Q	26.7	Very low	25.9	Very low	149 Å²	149	136.4 Å²	136.4	70%	0.696	73%	0.728	S	S	*	*				56	133.2	96.1	-68.8	-175.9	-37	0	0	113.3
1200	E	27.8	Very low	25.6	Very low	173 Å²	173	137.9 Å²	137.9	81%	0.808	73%	0.73	S	S	*	*			cis	-128.7	131.1	32.4	-74.3	-175.9	145.6	0	0	113
1201	T	25.3	Very low	25.9	Very low	106 Å²	106	142.7 Å²	142.7	65%	0.65	74%	0.739	S	S	*	*				46.8	123.2	97.1	34.4	0	0	0	0	114.5
1202	I	25.6	Very low	25.8	Very low	144 Å²	144	142.7 Å²	142.7	74%	0.738	74%	0.739	S	S	*	*			cis	-168.2	151.3	47.4	-113.2	146.5	0	0	0	107
1203	K	25.2	Very low	25.8	Very low	183 Å²	183	140.8 Å²	140.8	80%	0.796	74%	0.737	S	S	*	*			cis	-159	-173.5	0.9	-117.5	169.2	-174.2	178.9	0	110
1204	L	23.6	Very low	25.9	Very low	143 Å²	143	141 Å²	141	75%	0.749	74%	0.739	S	S	*	*			trans	-125.2	159.1	161.9	-74.4	164.5	0	0	0	109.8	V1206	L1204-V1206 HydrophobicContact CB-CG2 4.18Å; L1204-V1206 HydrophobicContact CD1-CG2 4.16Å; L1204-V1206 HydrophobicContact CD2-CG2 4.27Å; L1204-V1206 HydrophobicContact CG-CG2 4.45Å
1205	P	25.2	Very low	25.9	Very low	110 Å²	110	143.1 Å²	143.1	71%	0.714	74%	0.742	S	S	*	*				-133.9	159.7	90.4	38.6	-27.8	0	0	0	112.6	I1207	P1205-I1207 HydrophobicContact CB-CG1 4.49Å
1206	V	22.3	Very low	25.8	Very low	111 Å²	111	142.9 Å²	142.9	67%	0.673	74%	0.741	S	S	*	*			cis	67.9	69.5	13.5	-164	0	0	0	0	116.1	L1204	L1204-V1206 HydrophobicContact CB-CG2 4.18Å; L1204-V1206 HydrophobicContact CD1-CG2 4.16Å; L1204-V1206 HydrophobicContact CD2-CG2 4.27Å; L1204-V1206 HydrophobicContact CG-CG2 4.45Å
1207	I	26.6	Very low	25.7	Very low	146 Å²	146	143 Å²	143	75%	0.749	74%	0.736	S	S	*	*			trans	-149.4	119.7	151.7	-57.1	-176.2	0	0	0	103.7	P1205	P1205-I1207 HydrophobicContact CB-CG1 4.49Å
1208	T	25.6	Very low	25.6	Very low	105 Å²	105	140.4 Å²	140.4	64%	0.644	73%	0.731	S	S	*	*			cis	60.6	77.8	37	72.6	0	0	0	0	115.3
1209	D	26.2	Very low	25.4	Very low	152 Å²	152	139.2 Å²	139.2	81%	0.813	73%	0.725	S	S	*	*				-178.7	156.9	113.9	-93.8	-16.2	0	0	0	116.8
1210	N	25.5	Very low	25.2	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	73%	0.731	S	S	*	*			trans	-45.4	133.9	-178.8	-54.9	-56.7	0	0	0	118.5
1211	K	29.2	Very low	25.1	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	72%	0.716	S	S	*	*			trans	-165.4	121.6	135.3	-95.2	139.2	-172.8	173.4	0	106.1
1212	E	24.9	Very low	24.9	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	72%	0.72	S	S	*	*				57	130.8	60.7	-68.7	-158.1	133	0	0	113.9
1213	S	25.7	Very low	24.8	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	72%	0.716	S	S	*	*			trans	56.2	119.5	-167	34.4	0	0	0	0	114.2
1214	D	29.5	Very low	24.7	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	71%	0.712	S	S	*	*			cis	-131.5	139.8	3.8	-62.4	-48.2	0	0	0	109
1215	L	24.6	Very low	24.7	Very low	135 Å²	135	135.1 Å²	135.1	71%	0.707	71%	0.709	S	S	*	*			cis	67.4	64.7	19.9	-138.7	-174.8	0	0	0	115	I1217	L1215-I1217 HydrophobicContact CD2-CD1 4.34Å
1216	L	24.5	Very low	24.7	Very low	146 Å²	146	133 Å²	133	76%	0.764	69%	0.694	S	S	*	*			trans	-155.8	128.9	133.9	-95.4	146.6	0	0	0	106.5
1217	I	22.8	Very low	24.8	Very low	113 Å²	113	137.6 Å²	137.6	58%	0.579	70%	0.7	S	S	*	*				52.6	116.2	65.9	-69.6	169.8	0	0	0	108.6	L1215	L1215-I1217 HydrophobicContact CD2-CD1 4.34Å
1218	N	22.8	Very low	24.8	Very low	116 Å²	116	132.4 Å²	132.4	62%	0.62	68%	0.678	S	S	*	*			cis	174.3	-159.9	12.8	-108.9	-13.9	0	0	0	103.4
1219	Q	24.5	Very low	24.9	Very low	130 Å²	130	132.3 Å²	132.3	61%	0.607	67%	0.673	S	S	*	*			trans	35.1	102.6	135.5	-66	153.9	12.4	0	0	116.8	T1221	Q1219-T1221 HydrophobicContact CB-CG2 4.23Å; Q1219-T1221 HydrophobicContact CG-CG2 3.82Å
1220	R	22.5	Very low	24.9	Very low	215 Å²	215	132 Å²	132	81%	0.811	67%	0.671	S	S	*	*				-132.2	122	76.1	-80.8	112.5	-162.5	-127.1	1.7	110.9
1221	T	24.7	Very low	24.9	Very low	80 Å²	80	131.4 Å²	131.4	49%	0.491	67%	0.667	S	S	.	*			cis	47.2	115.3	35.4	77.9	0	0	0	0	114.6	Q1219	Q1219-T1221 HydrophobicContact CB-CG2 4.23Å; Q1219-T1221 HydrophobicContact CG-CG2 3.82Å
1222	N	22.6	Very low	24.8	Very low	137 Å²	137	130 Å²	130	73%	0.733	66%	0.663	S	S	*	*			trans	76.8	137.9	174.7	-42.1	-42.8	0	0	0	114.5	F1224	N1222-F1224 HydrophobicContact CB-CD2 4.42Å; N1222-F1224 HydrophobicContact CB-CE2 4.02Å
1223	G	22.3	Very low	25	Very low	64 Å²	64	126.8 Å²	126.8	66%	0.66	66%	0.66	S	S	*	*			cis	161.4	-157.3	-7.4	0	0	0	0	0	116.9
1224	F	24.1	Very low	25	Very low	161 Å²	161	125.1 Å²	125.1	71%	0.706	66%	0.659	S	S	*	*			trans	63.8	105.2	161	-57.3	-67.9	0	0	0	115.6	N1222 P1226	N1222-F1224 HydrophobicContact CB-CD2 4.42Å; N1222-F1224 HydrophobicContact CB-CE2 4.02Å; F1224-P1226 VanDerWaalsContact O-CD 3.29Å; F1224-P1226 WeakPolarHBondContact O-CD 3.36Å
1225	F	23.8	Very low	24.9	Very low	156 Å²	156	129 Å²	129	68%	0.684	66%	0.662	S	S	*	*	S	Bend		-47.3	116.6	115.6	-91.8	-65	0	0	0	107	I1229	F1225-I1229 HydrophobicContact CD1-CB 4.09Å; F1225-I1229 HydrophobicContact CD1-CD1 3.99Å; F1225-I1229 HydrophobicContact CD1-CG2 3.63Å; F1225-I1229 HydrophobicContact CE1-CD1 4.4Å; F1225-I1229 HydrophobicContact CE1-CG2 4.08Å; F1225-I1229 HydrophobicContact CG-CG2 4.43Å
1226	P	23.2	Very low	24.9	Very low	64 Å²	64	127.9 Å²	127.9	42%	0.416	67%	0.666	S	S	.	*			trans	-53.3	153.5	-173.1	-30	36.9	0	0	0	111.6	F1224 A1228 I1229	F1224-P1226 VanDerWaalsContact O-CD 3.29Å; F1224-P1226 WeakPolarHBondContact O-CD 3.36Å; P1226-A1228 HydrophobicContact CB-CB 4.3Å; P1226-A1228 CarbonylContact O-C 3.03Å; P1226-A1228 PolarHBondContact O-N 3.4Å; P1226-I1229 PolarHBondContact O-N 3.39Å
1227	R	25.6	Very low	24.9	Very low	209 Å²	209	128.9 Å²	128.9	79%	0.789	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-21.2	174.2	-166.6	169.1	-177	178.6	1.7	112.7	L1231	R1227-L1231 HydrophobicContact CG-CD1 3.96Å; R1227-L1231 WeakPolarHBondContact O-CB 3.45Å; R1227-L1231 WeakPolarHBondContact O-CD1 3.5Å
1228	A	25.8	Very low	25	Very low	36 Å²	36	132.9 Å²	132.9	30%	0.298	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	-50.1	168.1	0	0	0	0	0	114.8	P1226 L1230 L1231 E1232	P1226-A1228 HydrophobicContact CB-CB 4.3Å; P1226-A1228 CarbonylContact O-C 3.03Å; P1226-A1228 PolarHBondContact O-N 3.4Å; A1228-L1230 PolarHBondContact O-N 3.47Å; A1228-L1230 VanDerWaalsContact O-N 3.16Å; A1228-L1231 PolarHBondContact O-N 3.21Å; A1228-E1232 HydrophobicContact CB-CG 4.34Å; A1228-E1232 WeakPolarHBondContact CB-OE2 3.33Å; A1228-E1232 WeakPolarHBondContact O-CB 3.44Å; A1228-E1232 PolarHBondContact O-N 2.93Å
1229	I	28.2	Very low	25.1	Very low	104 Å²	104	130.4 Å²	130.4	53%	0.533	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.6	-19.4	-173.1	-62.9	-172.3	0	0	0	112.3	F1225 P1226	F1225-I1229 HydrophobicContact CD1-CB 4.09Å; F1225-I1229 HydrophobicContact CD1-CD1 3.99Å; F1225-I1229 HydrophobicContact CD1-CG2 3.63Å; F1225-I1229 HydrophobicContact CE1-CD1 4.4Å; F1225-I1229 HydrophobicContact CE1-CG2 4.08Å; F1225-I1229 HydrophobicContact CG-CG2 4.43Å; P1226-I1229 PolarHBondContact O-N 3.39Å
1230	L	26.6	Very low	25.2	Very low	145 Å²	145	136.8 Å²	136.8	76%	0.759	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	7.7	171.2	-78.8	163.3	0	0	0	114.5	A1228	A1228-L1230 PolarHBondContact O-N 3.47Å; A1228-L1230 VanDerWaalsContact O-N 3.16Å
1231	L	26.2	Very low	25.3	Very low	125 Å²	125	130.9 Å²	130.9	65%	0.654	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	-19.1	179.3	-77.2	170.2	0	0	0	116.2	R1227 A1228	R1227-L1231 HydrophobicContact CG-CD1 3.96Å; R1227-L1231 WeakPolarHBondContact O-CB 3.45Å; R1227-L1231 WeakPolarHBondContact O-CD1 3.5Å; A1228-L1231 PolarHBondContact O-N 3.21Å
1232	E	25.9	Very low	25.4	Very low	166 Å²	166	132.6 Å²	132.6	78%	0.776	70%	0.703	S	S	*	*	S	Bend	trans	-98.2	1.3	-165.7	-68	-168.1	139.2	0	0	117.2	A1228	A1228-E1232 HydrophobicContact CB-CG 4.34Å; A1228-E1232 WeakPolarHBondContact CB-OE2 3.33Å; A1228-E1232 WeakPolarHBondContact O-CB 3.44Å; A1228-E1232 PolarHBondContact O-N 2.93Å
1233	S	30.3	Very low	25.5	Very low	109 Å²	109	134 Å²	134	76%	0.762	71%	0.711	S	S	*	*	S	Bend	trans	-124.4	17.2	179.2	63	0	0	0	0	115.5	R1235	S1233-R1235 PolarHBondContact O-N 3.45Å
1234	G	25.2	Very low	25.6	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	72%	0.716	S	S	*	*			trans	-60.1	105	-173.2	0	0	0	0	0	115.9
1235	R	26.2	Very low	25.7	Very low	231 Å²	231	132.5 Å²	132.5	87%	0.872	70%	0.703	S	S	*	*			trans	-162.6	95.7	155.9	-86.6	127.4	-173	-118.6	5.8	107.8	S1233	S1233-R1235 PolarHBondContact O-N 3.45Å
1236	S	25.5	Very low	25.8	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	70%	0.7	S	S	*	*				54.4	92.4	65.7	86	0	0	0	0	115.1
1237	K	24	Very low	26	Very low	167 Å²	167	132.9 Å²	132.9	73%	0.726	71%	0.708	S	S	*	*				-170.5	-21.7	127.9	-114.6	-168.1	174.7	-164.8	0	118.2
1238	Y	26.2	Very low	25.9	Very low	197 Å²	197	126.1 Å²	126.1	77%	0.773	70%	0.703	S	S	*	*			trans	-129.6	156.3	179	-59.1	-69.2	0	0	0	110.5
1239	G	23.8	Very low	25.9	Very low	64 Å²	64	129.6 Å²	129.6	66%	0.66	71%	0.711	S	S	*	*			trans	-115	-159.2	-160.7	0	0	0	0	0	116.1
1240	W	25.9	Very low	25.8	Very low	265 Å²	265	128.5 Å²	128.5	100%	1.004	70%	0.701	S	S	*	*			trans	77.8	130.7	-171.8	-60.4	86.9	0	0	0	115.8
1241	A	24.8	Very low	25.8	Very low	91 Å²	91	124.8 Å²	124.8	75%	0.752	68%	0.678	S	S	*	*			trans	-144.6	149.1	174.7	0	0	0	0	0	108.1
1242	P	27.1	Very low	25.7	Very low	115 Å²	115	120.6 Å²	120.6	75%	0.747	66%	0.658	S	S	*	*			trans	-88.1	165.4	-172.4	36.4	-37.1	0	0	0	113.2
1243	N	24.3	Very low	25.7	Very low	168 Å²	168	122.9 Å²	122.9	90%	0.898	66%	0.66	S	S	*	*			trans	-178.2	94.7	146.5	-96.5	-18.3	0	0	0	112.5
1244	S	24.9	Very low	25.4	Very low	108 Å²	108	123.9 Å²	123.9	76%	0.755	66%	0.656	S	S	*	*			trans	-167.9	113.7	157.6	53.1	0	0	0	0	109.3
1245	L	26.5	Very low	25.4	Very low	85 Å²	85	126.2 Å²	126.2	45%	0.445	66%	0.662	S	S	.	*			trans	-153.4	144.6	178.3	-120.3	162.7	0	0	0	108.3	E1593 I1594	L1245-E1593 HydrophobicContact CD2-CB 3.71Å; L1245-E1593 WeakPolarHBondContact CD2-OE2 3.22Å; L1245-E1593 HydrophobicContact CG-CB 4.09Å; L1245-I1594 HydrophobicContact CD2-CG1 4.44Å
1246	L	26.9	Very low	25.4	Very low	116 Å²	116	123 Å²	123	61%	0.607	66%	0.656	S	S	*	*			trans	64	96	165.9	-55.9	171.8	0	0	0	117.7
1247	L	25.7	Very low	25.4	Very low	111 Å²	111	123.4 Å²	123.4	58%	0.581	66%	0.659	S	S	*	*				-171.6	140.2	83.8	-97.3	167	0	0	0	111.9	H1963	L1247-H1963 PolarHBondContact O-CE1 2.77Å; L1247-H1963 VanDerWaalsContact O-CE1 3.22Å
1248	G	25.1	Very low	25.5	Very low	67 Å²	67	118.8 Å²	118.8	69%	0.691	66%	0.659	S	S	*	*			trans	-157.4	79	-176.6	0	0	0	0	0	112.2	H1963	G1248-H1963 WeakPolarHBondContact CA-CE1 3.37Å
1249	K	25.8	Very low	25.6	Very low	110 Å²	110	116 Å²	116	48%	0.478	66%	0.662	S	S	.	*			trans	-102.6	109.6	-163.6	148.7	-127.1	-163.8	-175.5	0	112.3	N1959 H1963	K1249-N1959 WeakPolarHBondContact CE-OD1 3.33Å; K1249-N1959 PolarHBondContact NZ-OD1 2.98Å; K1249-H1963 WeakPolarHBondContact CB-NE2 3.42Å; K1249-H1963 PolarHBondContact N-CE1 3.04Å; K1249-H1963 PolarHBondContact N-NE2 3.26Å
1250	Y	26.2	Very low	25.9	Very low	81 Å²	81	118.9 Å²	118.9	32%	0.318	66%	0.662	S	S	.	*			trans	-149.4	149.4	169.5	-79.5	-77.8	0	0	0	110.4	H1589 K1956 N1959 S1960 H1963	Y1250-H1589 PolarHBondContact O-NE2 3.2Å; Y1250-K1956 HydrophobicContact CE1-CG 4.43Å; Y1250-N1959 HydrophobicContact CE1-CB 4.43Å; Y1250-N1959 PolarHBondContact OH-O 3.23Å; Y1250-N1959 VanDerWaalsContact OH-O 3.12Å; Y1250-S1960 WeakPolarHBondContact OH-CA 3.28Å; Y1250-S1960 WeakPolarHBondContact OH-CB 3.14Å; Y1250-S1960 PolarHBondContact OH-N 2.88Å; Y1250-H1963 HydrophobicContact CE2-CB 4.15Å; Y1250-H1963 AromaticContact CE2-CD2 3.92Å; Y1250-H1963 AromaticContact CE2-CG 3.92Å
1251	Y	25.8	Very low	26.2	Very low	67 Å²	67	111.6 Å²	111.6	26%	0.263	64%	0.643	S	S	.	*			cis	-164.6	163	-27.7	-137.7	-139.8	0	0	0	113.7	E1955 K1956 N1959	Y1251-E1955 HydrophobicContact CE1-CG 4.08Å; Y1251-E1955 VanDerWaalsContact OH-CG 3.31Å; Y1251-E1955 WeakPolarHBondContact OH-CG 3.1Å; Y1251-E1955 PolarHBondContact OH-O 2.79Å; Y1251-K1956 HydrophobicContact CE1-CB 4.07Å; Y1251-N1959 HydrophobicContact CE2-CB 3.74Å; Y1251-N1959 VanDerWaalsContact OH-CB 3.29Å; Y1251-N1959 WeakPolarHBondContact OH-CB 3.33Å; Y1251-N1959 VanDerWaalsContact OH-CG 3.3Å; Y1251-N1959 PolarHBondContact OH-ND2 3.3Å
1252	S	23.7	Very low	26.4	Very low	36 Å²	36	113.8 Å²	113.8	25%	0.252	64%	0.636	S	S	.	*			trans	22.3	126.3	146.9	64.5	0	0	0	0	121.4	Y1952	S1252-Y1952 WeakPolarHBondContact OG-CE2 3.37Å
1253	R	25.9	Very low	26.6	Very low	215 Å²	215	117.1 Å²	117.1	81%	0.811	64%	0.638	S	S	*	*				-162.5	133.9	121.6	-107.5	168.2	-162.8	-179.6	11.3	111.1
1254	L	24.1	Very low	26.9	Very low	129 Å²	129	115.8 Å²	115.8	68%	0.675	63%	0.631	S	S	*	*			trans	-86.5	155.7	-167.5	-58	87.7	0	0	0	113.6
1255	S	24.9	Very low	27	Very low	116 Å²	116	117.5 Å²	117.5	81%	0.811	63%	0.629	S	S	*	*				-168.5	144.1	128.3	18.5	0	0	0	0	113.2
1256	H	25.8	Very low	27.1	Very low	163 Å²	163	120.8 Å²	120.8	76%	0.755	65%	0.647	S	S	*	*			trans	-53.3	167.6	-172.9	-47.4	-78.6	0	0	0	116.3
1257	S	25.4	Very low	27.1	Very low	121 Å²	121	123.9 Å²	123.9	85%	0.846	66%	0.658	S	S	*	*			cis	-176	156.6	40.8	51.7	0	0	0	0	115.6
1258	G	26.7	Very low	27.2	Very low	69 Å²	69	127.8 Å²	127.8	71%	0.711	67%	0.671	S	S	*	*			trans	108.5	114.8	161.5	0	0	0	0	0	115.2
1259	V	29.4	Very low	27.5	Very low	139 Å²	139	130.3 Å²	130.3	84%	0.842	67%	0.669	S	S	*	*			cis	94.9	130	33.4	176.1	0	0	0	0	112.5
1260	D	30.3	Very low	27.7	Very low	124 Å²	124	128.7 Å²	128.7	66%	0.663	66%	0.66	S	S	*	*			cis	-119.8	-144.6	1.1	-147	2.4	0	0	0	108.6	K1262	D1260-K1262 IonicContact OD2-NZ 3.32Å; D1260-K1262 PolarHBondContact OD2-NZ 3.49Å
1261	D	31.3	Very low	28.2	Very low	113 Å²	113	127.9 Å²	127.9	60%	0.604	67%	0.67	S	S	*	*			cis	-153.6	163.8	3.2	-145.9	-10	0	0	0	117.5
1262	K	28.3	Very low	28.5	Very low	137 Å²	137	128.3 Å²	128.3	60%	0.596	68%	0.677	S	S	*	*			trans	-30.6	144	168.2	-60.1	147.1	-157	91.8	0	118.1	D1260	D1260-K1262 IonicContact OD2-NZ 3.32Å; D1260-K1262 PolarHBondContact OD2-NZ 3.49Å
1263	K	31.5	Very low	28.9	Very low	184 Å²	184	129.1 Å²	129.1	80%	0.8	69%	0.686	S	S	*	*				-173.2	152.3	69	-126	164.4	-173.2	175.1	0	114.3
1264	N	31	Very low	29.2	Very low	141 Å²	141	125.8 Å²	125.8	75%	0.754	68%	0.679	S	S	*	*			trans	45.1	118.4	159.9	-56	-2.1	0	0	0	119.6
1265	M	26	Very low	29.7	Very low	144 Å²	144	122.1 Å²	122.1	71%	0.709	67%	0.668	S	S	*	*			cis	68.9	107.9	44.2	-72.4	-68.7	179.6	0	0	117.6
1266	N	29.3	Very low	30	Very low	153 Å²	153	125.6 Å²	125.6	82%	0.818	66%	0.663	S	S	*	*				-167.3	173.8	115.8	-94	-3.8	0	0	0	111.4
1267	E	26.1	Very low	30.3	Very low	181 Å²	181	123.3 Å²	123.3	85%	0.846	67%	0.666	S	S	*	*			trans	-97.6	164.2	-161.5	-59.9	168.8	126	0	0	114.4
1268	F	28.3	Very low	30.4	Very low	193 Å²	193	121.6 Å²	121.6	85%	0.846	66%	0.658	S	S	*	*			trans	-137.6	139	165.5	-153.1	-93.2	0	0	0	110.9
1269	N	32.6	Very low	30.6	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	66%	0.663	S	S	*	*			trans	-89	135.1	-166.7	-170.5	0.5	0	0	0	112.2
1270	W	29.8	Very low	30.6	Very low	76 Å²	76	127.1 Å²	127.1	29%	0.288	66%	0.659	S	S	.	*	S	Bend	trans	-88.1	-27.7	-168.1	-109	76.7	0	0	0	115.5	D1272 A1273 P1984 D1985 I1986	W1270-D1272 PolarHBondContact O-N 3Å; W1270-D1272 VanDerWaalsContact O-N 3.11Å; W1270-A1273 PolarHBondContact O-N 3.36Å; W1270-P1984 HydrophobicContact CH2-CB 3.42Å; W1270-P1984 VanDerWaalsContact CH2-CB 3.42Å; W1270-P1984 HydrophobicContact CH2-CG 3.33Å; W1270-P1984 HydrophobicContact CZ2-CB 3.53Å; W1270-P1984 HydrophobicContact CZ2-CG 4Å; W1270-P1984 HydrophobicContact CZ3-CB 4.38Å; W1270-P1984 HydrophobicContact CZ3-CG 3.95Å; W1270-D1985 VanDerWaalsContact CE2-O 3.32Å; W1270-D1985 VanDerWaalsContact CZ2-O 3.26Å; W1270-D1985 WeakPolarHBondContact CZ2-O 3.17Å; W1270-D1985 PolarHBondContact NE1-O 3.44Å; W1270-I1986 HydrophobicContact CD2-CD1 4.48Å; W1270-I1986 HydrophobicContact CD2-CG1 3.86Å; W1270-I1986 VanDerWaalsContact CE2-CG1 3.48Å; W1270-I1986 HydrophobicContact CE3-CD1 4.23Å; W1270-I1986 HydrophobicContact CE3-CG1 4.04Å; W1270-I1986 HydrophobicContact CH2-CD1 3.92Å; W1270-I1986 HydrophobicContact CH2-CG1 3.39Å; W1270-I1986 HydrophobicContact CZ2-CB 4.29Å; W1270-I1986 HydrophobicContact CZ2-CD1 4.27Å; W1270-I1986 HydrophobicContact CZ2-CG1 3.26Å; W1270-I1986 HydrophobicContact CZ3-CD1 3.93Å; W1270-I1986 HydrophobicContact CZ3-CG1 3.82Å
1271	A	35.7	Very low	30.4	Very low	65 Å²	65	126 Å²	126	54%	0.537	66%	0.661	S	S	.	*	H	α-helix	trans	-62.3	-20.9	-178.8	0	0	0	0	0	113.7
1272	D	32.4	Very low	30.3	Very low	76 Å²	76	127.5 Å²	127.5	41%	0.406	67%	0.668	S	S	.	*	H	α-helix	trans	-88.9	-9	-174.5	-150.1	59.5	0	0	0	113.7	W1270 R1276	W1270-D1272 PolarHBondContact O-N 3Å; W1270-D1272 VanDerWaalsContact O-N 3.11Å; D1272-R1276 VanDerWaalsContact O-CD 3.23Å; D1272-R1276 WeakPolarHBondContact O-CD 3.39Å; D1272-R1276 VanDerWaalsContact O-CG 3.26Å; D1272-R1276 WeakPolarHBondContact O-CG 3.22Å; D1272-R1276 PolarHBondContact O-NE 2.83Å; D1272-R1276 IonicContact OD2-CZ 3.77Å; D1272-R1276 IonicContact OD2-NE 3.82Å; D1272-R1276 PolarHBondContact OD2-NE 3.12Å; D1272-R1276 IonicContact OD2-NH2 3.63Å; D1272-R1276 PolarHBondContact OD2-NH2 3.03Å
1273	A	31.7	Very low	30.4	Very low	53 Å²	53	127.9 Å²	127.9	44%	0.438	68%	0.676	S	S	.	*	H	α-helix	trans	-82	-46.6	173.4	0	0	0	0	0	111.6	W1270 A1275 R1276	W1270-A1273 PolarHBondContact O-N 3.36Å; A1273-A1275 VanDerWaalsContact C-N 3.33Å; A1273-A1275 PolarHBondContact O-N 3.09Å; A1273-R1276 PolarHBondContact O-N 2.82Å
1274	E	31.9	Very low	30.2	Very low	144 Å²	144	122.3 Å²	122.3	67%	0.673	67%	0.671	S	S	*	*	H	α-helix	trans	-65.2	-37.3	178.8	-65.2	177.7	140.6	0	0	111.4	R1276	E1274-R1276 VanDerWaalsContact C-N 3.27Å; E1274-R1276 PolarHBondContact O-N 3.07Å
1275	A	35.5	Very low	30	Very low	53 Å²	53	123.1 Å²	123.1	44%	0.438	68%	0.675	S	S	.	*	H	α-helix	trans	-65	-22.4	178.8	0	0	0	0	0	114.9	A1273	A1273-A1275 VanDerWaalsContact C-N 3.33Å; A1273-A1275 PolarHBondContact O-N 3.09Å
1276	R	31.6	Very low	30.1	Very low	188 Å²	188	124.8 Å²	124.8	71%	0.709	68%	0.681	S	S	*	*	H	α-helix	trans	-93.7	-18.9	-173.7	-70	175.5	-172.7	-127.7	5.1	114.4	D1272 A1273 E1274	D1272-R1276 VanDerWaalsContact O-CD 3.23Å; D1272-R1276 WeakPolarHBondContact O-CD 3.39Å; D1272-R1276 VanDerWaalsContact O-CG 3.26Å; D1272-R1276 WeakPolarHBondContact O-CG 3.22Å; D1272-R1276 PolarHBondContact O-NE 2.83Å; D1272-R1276 IonicContact OD2-CZ 3.77Å; D1272-R1276 IonicContact OD2-NE 3.82Å; D1272-R1276 PolarHBondContact OD2-NE 3.12Å; D1272-R1276 IonicContact OD2-NH2 3.63Å; D1272-R1276 PolarHBondContact OD2-NH2 3.03Å; A1273-R1276 PolarHBondContact O-N 2.82Å; E1274-R1276 VanDerWaalsContact C-N 3.27Å; E1274-R1276 PolarHBondContact O-N 3.07Å
1277	S	30.9	Very low	29.9	Very low	116 Å²	116	122 Å²	122	81%	0.811	67%	0.673	S	S	*	*	H	α-helix	trans	-76.4	-25	174.8	-159.8	0	0	0	0	112.5	R1279	S1277-R1279 PolarHBondContact O-N 3.08Å
1278	A	28.2	Very low	29.8	Very low	84 Å²	84	118.8 Å²	118.8	69%	0.694	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	11.3	-171.7	0	0	0	0	0	115.7
1279	R	29.8	Very low	29.7	Very low	216 Å²	216	116.5 Å²	116.5	82%	0.815	66%	0.662	S	S	*	*	S	Bend	trans	-143.8	53.7	-166.7	-69.3	-171.6	172.7	173.9	-0.7	117.1	S1277	S1277-R1279 PolarHBondContact O-N 3.08Å
1280	S	29.5	Very low	29.3	Very low	108 Å²	108	116 Å²	116	76%	0.755	66%	0.663	S	S	*	*			trans	174.2	97.4	146	53.1	0	0	0	0	110
1281	S	26.9	Very low	29	Very low	100 Å²	100	116.7 Å²	116.7	70%	0.699	68%	0.68	S	S	*	*			cis	83.5	132.4	37.5	87.6	0	0	0	0	115.4
1282	I	29.9	Very low	28.5	Very low	146 Å²	146	118.9 Å²	118.9	75%	0.749	68%	0.683	S	S	*	*			trans	76.7	130.3	159.5	-61.1	161.9	0	0	0	115.3
1283	N	29	Very low	28.1	Very low	144 Å²	144	119.6 Å²	119.6	77%	0.77	69%	0.694	S	S	*	*			cis	-154.7	164.5	-13.4	-101.9	0.9	0	0	0	107.1
1284	G	29	Very low	27.7	Very low	67 Å²	67	120.6 Å²	120.6	69%	0.691	70%	0.697	S	S	*	*			cis	-146.5	169.8	-8.5	0	0	0	0	0	109.2
1285	L	26.1	Very low	27.5	Very low	159 Å²	159	117.3 Å²	117.3	83%	0.832	68%	0.683	S	S	*	*			cis	87.5	74.1	18.8	-158.7	131.2	0	0	0	115.6
1286	E	27.1	Very low	26.9	Very low	178 Å²	178	117.8 Å²	117.8	83%	0.832	69%	0.693	S	S	*	*			trans	-132	119.9	135.1	-80.3	-175.8	164.9	0	0	104.1
1287	S	25.3	Very low	26.6	Very low	94 Å²	94	118.8 Å²	118.8	66%	0.657	70%	0.697	S	S	*	*				63.5	127.1	76.2	87.1	0	0	0	0	111.9
1288	T	25.4	Very low	26.2	Very low	115 Å²	115	120.9 Å²	120.9	71%	0.706	70%	0.698	S	S	*	*			cis	-149	154	32.2	43.6	0	0	0	0	114.3
1289	L	24.6	Very low	26	Very low	144 Å²	144	122.5 Å²	122.5	75%	0.754	70%	0.699	S	S	*	*			trans	47.8	149.4	134.8	-62	166.5	0	0	0	123
1290	T	24.1	Very low	25.7	Very low	109 Å²	109	120.1 Å²	120.1	67%	0.669	70%	0.697	S	S	*	*			trans	52.4	110.8	150.3	49.3	0	0	0	0	117.9
1291	S	23.6	Very low	25.5	Very low	91 Å²	91	120.3 Å²	120.3	64%	0.636	70%	0.698	S	S	*	*				63.3	58.3	72.6	83.4	0	0	0	0	114.5
1292	D	25.5	Very low	25.4	Very low	112 Å²	112	121.3 Å²	121.3	60%	0.599	70%	0.696	S	S	*	*			trans	-128.4	132	152.1	-89.6	-49.5	0	0	0	106.7
1293	S	23.9	Very low	25.4	Very low	91 Å²	91	124 Å²	124	64%	0.636	70%	0.702	S	S	*	*			cis	73.7	151.6	29.1	115.6	0	0	0	0	114.6
1294	S	24.6	Very low	25.1	Very low	73 Å²	73	125.3 Å²	125.3	51%	0.51	70%	0.704	S	S	.	*			trans	77.5	135.3	168.7	86.9	0	0	0	0	118.7
1295	I	26.1	Very low	24.9	Very low	75 Å²	75	128.7 Å²	128.7	39%	0.385	71%	0.705	S	S	.	*			trans	66	119.4	141.2	-58.7	157.3	0	0	0	116.2	E494 W1297	E494-I1295 HydrophobicContact CB-CD1 3.99Å; E494-I1295 WeakPolarHBondContact OE2-CD1 3.37Å; I1295-W1297 VanDerWaalsContact CG2-CD1 3.43Å; I1295-W1297 HydrophobicContact CG2-CG 4.35Å
1296	G	24	Very low	24.8	Very low	63 Å²	63	126.5 Å²	126.5	65%	0.649	70%	0.698	S	S	*	*				89.3	161	80.5	0	0	0	0	0	111.4
1297	W	25.4	Very low	24.6	Very low	210 Å²	210	125 Å²	125	80%	0.795	69%	0.693	S	S	*	*			cis	-140.8	149.8	24.1	-78	68.2	0	0	0	112.4	I1295 V1299	I1295-W1297 VanDerWaalsContact CG2-CD1 3.43Å; I1295-W1297 HydrophobicContact CG2-CG 4.35Å; W1297-V1299 HydrophobicContact CB-CG2 4.06Å; W1297-V1299 HydrophobicContact CE3-CG2 4.11Å
1298	I	22.8	Very low	24.6	Very low	160 Å²	160	129.2 Å²	129.2	82%	0.821	70%	0.7	S	S	*	*			trans	-75.1	119.5	150.4	-60	168.4	0	0	0	107.2
1299	V	24.1	Very low	24.7	Very low	117 Å²	117	129.5 Å²	129.5	71%	0.709	71%	0.707	S	S	*	*			trans	-137.8	119.1	161.9	177.3	0	0	0	0	109	W1297	W1297-V1299 HydrophobicContact CB-CG2 4.06Å; W1297-V1299 HydrophobicContact CE3-CG2 4.11Å
1300	E	22.7	Very low	24.9	Very low	166 Å²	166	130.4 Å²	130.4	78%	0.776	71%	0.705	S	S	*	*			trans	-80.3	177.5	172	-55.3	175.7	110.4	0	0	111.8
1301	S	25.2	Very low	25.1	Very low	112 Å²	112	133 Å²	133	78%	0.783	71%	0.709	S	S	*	*	S	Bend	trans	80.1	146.4	159.9	81.9	0	0	0	0	119.2
1302	D	24.2	Very low	25.3	Very low	122 Å²	122	136.9 Å²	136.9	65%	0.652	72%	0.719	S	S	*	*			trans	-66.7	132.8	172.8	-49.2	-99.7	0	0	0	112.3
1303	K	29.9	Very low	25.5	Very low	203 Å²	203	136.3 Å²	136.3	88%	0.883	72%	0.724	S	S	*	*			trans	-164	167	137.9	-104.3	136.7	-154.6	159.1	0	113.8
1304	E	24	Very low	25.8	Very low	171 Å²	171	139.5 Å²	139.5	80%	0.799	73%	0.734	S	S	*	*			trans	-107	163.3	-168.3	-50.8	174.4	111	0	0	112
1305	L	23.5	Very low	26.1	Very low	137 Å²	137	138.9 Å²	138.9	72%	0.717	74%	0.739	S	S	*	*			trans	72.7	132.4	144.1	-75.6	160.8	0	0	0	121.3
1306	T	23.9	Very low	26.3	Very low	114 Å²	114	142.3 Å²	142.3	70%	0.699	76%	0.759	S	S	*	*			trans	74.4	149.7	142.7	58.7	0	0	0	0	119
1307	M	24	Very low	26.8	Very low	146 Å²	146	145.6 Å²	145.6	72%	0.719	76%	0.76	S	S	*	*			cis	-160.4	156	-9.9	-115.8	161.3	57	0	0	113.3
1308	F	25.4	Very low	27.2	Very low	182 Å²	182	143.1 Å²	143.1	80%	0.798	76%	0.761	S	S	*	*			trans	24.4	127.7	159	-62.7	-75	0	0	0	123.3
1309	S	27.1	Very low	27.6	Very low	122 Å²	122	141.8 Å²	141.8	85%	0.853	76%	0.755	S	S	*	*				177.9	158.4	116	36.5	0	0	0	0	111.6
1310	K	29.4	Very low	27.8	Very low	162 Å²	162	143.3 Å²	143.3	70%	0.704	75%	0.754	S	S	*	*			cis	-165.8	126.5	-29.6	177.7	-178.7	172.2	-167.7	0	110.2
1311	E	27.1	Very low	28	Very low	165 Å²	165	140.9 Å²	140.9	77%	0.771	75%	0.747	S	S	*	*			trans	54.1	166.6	159	-72.6	145.9	-134.6	0	0	121.6
1312	M	28.6	Very low	28.1	Very low	172 Å²	172	141.1 Å²	141.1	85%	0.847	74%	0.744	S	S	*	*			trans	-105.7	-177.6	169.4	-49.6	-176.7	-160.6	0	0	109.5
1313	S	29	Very low	28.3	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	74%	0.74	S	S	*	*			trans	65.6	138.6	158.7	39.2	0	0	0	0	117
1314	D	31.2	Very low	28.3	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	73%	0.728	S	S	*	*			cis	-152	162.2	-2.4	-90.2	-33	0	0	0	110.2
1315	G	30	Very low	28.4	Very low	61 Å²	61	138.1 Å²	138.1	63%	0.629	73%	0.727	S	S	*	*			trans	51.7	116.5	146.1	0	0	0	0	0	121.5
1316	D	31.8	Very low	28.6	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	73%	0.73	S	S	*	*				165.2	113.1	114.1	-88.1	0.8	0	0	0	110.6
1317	I	32.8	Very low	28.8	Very low	131 Å²	131	140 Å²	140	67%	0.672	73%	0.733	S	S	*	*				96.5	125.1	83.2	-82.7	174.3	0	0	0	113
1318	I	34.3	Very low	28.9	Very low	159 Å²	159	137 Å²	137	82%	0.815	73%	0.731	S	S	*	*			trans	67.4	152.8	159.7	-78	166.1	0	0	0	117.9
1319	D	30.9	Very low	29	Very low	131 Å²	131	133.4 Å²	133.4	70%	0.701	73%	0.728	S	S	*	*			cis	-167.1	174.4	-37.9	-152.5	-10.7	0	0	0	108.8
1320	E	28.7	Very low	29.1	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	72%	0.724	S	S	*	*			trans	5.7	143.1	157.3	-88.2	-166.6	170.6	0	0	123.7
1321	N	27.9	Very low	29.2	Very low	114 Å²	114	137.8 Å²	137.8	61%	0.61	73%	0.727	S	S	*	*			trans	87	111.2	133.8	-82.2	-38.2	0	0	0	123
1322	T	26.8	Very low	29.2	Very low	118 Å²	118	135.1 Å²	135.1	72%	0.724	72%	0.721	S	S	*	*				81.8	149.4	129.5	63.6	0	0	0	0	122.4
1323	D	28.5	Very low	29.2	Very low	109 Å²	109	133.3 Å²	133.3	58%	0.583	72%	0.715	S	S	*	*			trans	97.8	145.3	133.4	-138.5	-14.8	0	0	0	119.5
1324	K	28.9	Very low	29.3	Very low	144 Å²	144	135.9 Å²	135.9	63%	0.626	72%	0.719	S	S	*	*			trans	59.3	112.7	168.2	-68.4	122.6	-171.1	164.3	0	117.6
1325	K	26.6	Very low	29	Very low	179 Å²	179	134 Å²	134	78%	0.778	71%	0.71	S	S	*	*				76.4	155.2	73.1	-74.9	177.1	-175.2	179.5	0	113.3
1326	L	27.8	Very low	28.9	Very low	148 Å²	148	138.6 Å²	138.6	78%	0.775	71%	0.712	S	S	*	*			trans	74.4	142.7	166.6	-56.5	139.6	0	0	0	114.2
1327	L	29.2	Very low	28.6	Very low	144 Å²	144	136.4 Å²	136.4	75%	0.754	71%	0.708	S	S	*	*			cis	-143.1	141.2	-22.5	-84.2	150.6	0	0	0	104.5
1328	A	26	Very low	28.3	Very low	83 Å²	83	138.3 Å²	138.3	69%	0.686	72%	0.716	S	S	*	*			cis	82.8	140.2	36.4	0	0	0	0	0	116
1329	S	27.2	Very low	27.8	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	71%	0.714	S	S	*	*			trans	82	147.8	165.7	80.1	0	0	0	0	119.8
1330	R	27.8	Very low	27.8	Very low	202 Å²	202	136.5 Å²	136.5	76%	0.762	71%	0.714	S	S	*	*	S	Bend	trans	79.8	100.6	174.1	-56.3	-178.9	-172.2	-158.1	-0.8	115.6
1331	F	32.2	Very low	27.6	Very low	175 Å²	175	136.9 Å²	136.9	77%	0.768	72%	0.719	S	S	*	*			cis	-143	147.9	-3.9	-69.9	-87.3	0	0	0	107.6
1332	V	28.1	Very low	27.5	Very low	109 Å²	109	137.9 Å²	137.9	66%	0.661	73%	0.729	S	S	*	*			cis	68.3	123.6	44.6	172.7	0	0	0	0	111.4
1333	D	27.9	Very low	27.5	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	72%	0.719	S	S	*	*			cis	-161.8	-170.7	-12.8	-100.2	-16.1	0	0	0	105.9
1334	I	30.3	Very low	27.5	Very low	152 Å²	152	137.4 Å²	137.4	78%	0.779	73%	0.727	S	S	*	*			trans	73.3	99.3	160.3	-40.5	-174.5	0	0	0	114.2
1335	D	26	Very low	27.6	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	73%	0.727	S	S	*	*				76.3	142.9	54.1	-167.3	29.8	0	0	0	114.3
1336	K	27.9	Very low	28.1	Very low	157 Å²	157	131.3 Å²	131.3	68%	0.683	72%	0.721	S	S	*	*			trans	69.1	98.7	170.4	-68.4	155.1	-171.4	128.9	0	121.1
1337	S	24.7	Very low	28	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	71%	0.708	S	S	*	*				70.9	154.9	115.6	72.7	0	0	0	0	122.8
1338	M	27.2	Very low	28	Very low	171 Å²	171	129.9 Å²	129.9	84%	0.842	71%	0.709	S	S	*	*			trans	91.7	127.5	168.1	-57.2	-64	-178.5	0	0	117.4
1339	D	23.6	Very low	28.4	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	71%	0.713	S	S	*	*			trans	-64.4	177.7	158.7	-41.8	-93.8	0	0	0	110.9
1340	P	30.5	Very low	28.6	Very low	106 Å²	106	135.6 Å²	135.6	69%	0.688	71%	0.714	S	S	*	*			cis	-139.8	-179.2	5.5	35	-12.1	0	0	0	116.4
1341	I	25	Very low	28.8	Very low	159 Å²	159	133.5 Å²	133.5	82%	0.815	72%	0.717	S	S	*	*			trans	28	107.9	144.5	-53.8	157.6	0	0	0	118
1342	V	26.4	Very low	28.6	Very low	135 Å²	135	130 Å²	130	82%	0.818	71%	0.714	S	S	*	*			trans	-143.3	137.9	137.5	-178.2	0	0	0	0	109
1343	S	26.1	Very low	28.6	Very low	74 Å²	74	131 Å²	131	52%	0.517	72%	0.721	S	S	.	*			trans	-84.8	134	177.6	51.7	0	0	0	0	112.6	S1345 T1346	S1343-S1345 PolarHBondContact O-N 3.14Å; S1343-S1345 VanDerWaalsContact O-N 3.12Å; S1343-S1345 PolarHBondContact OG-OG 3.01Å; S1343-T1346 PolarHBondContact O-OG1 2.86Å
1344	L	27.8	Very low	28.6	Very low	142 Å²	142	133.3 Å²	133.3	74%	0.743	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-79.2	12.5	179.4	-143.1	112.3	0	0	0	115.2	T1346 L1347	L1344-T1346 PolarHBondContact O-N 2.78Å; L1344-T1346 VanDerWaalsContact O-N 3.08Å; L1344-L1347 HydrophobicContact CD1-CD1 3.96Å; L1344-L1347 HydrophobicContact CD2-CB 4.09Å; L1344-L1347 HydrophobicContact CD2-CD1 4.26Å; L1344-L1347 HydrophobicContact CG-CB 4.18Å; L1344-L1347 HydrophobicContact CG-CD1 4.09Å; L1344-L1347 PolarHBondContact O-N 2.82Å
1345	S	32.4	Very low	28.5	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-66.3	3.6	165.9	49.5	0	0	0	0	113.6	S1343	S1343-S1345 PolarHBondContact O-N 3.14Å; S1343-S1345 VanDerWaalsContact O-N 3.12Å; S1343-S1345 PolarHBondContact OG-OG 3.01Å
1346	T	35.6	Very low	28.5	Very low	105 Å²	105	134.4 Å²	134.4	64%	0.644	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-111.4	-8.7	-176.7	-29.9	0	0	0	0	113.7	S1343 L1344	S1343-T1346 PolarHBondContact O-OG1 2.86Å; L1344-T1346 PolarHBondContact O-N 2.78Å; L1344-T1346 VanDerWaalsContact O-N 3.08Å
1347	L	27.2	Very low	28.5	Very low	98 Å²	98	136.7 Å²	136.7	51%	0.513	73%	0.731	S	S	.	*	S	Bend	trans	-89.7	-1.1	173.6	-103.9	162.1	0	0	0	113.5	L1344 N1349	L1344-L1347 HydrophobicContact CD1-CD1 3.96Å; L1344-L1347 HydrophobicContact CD2-CB 4.09Å; L1344-L1347 HydrophobicContact CD2-CD1 4.26Å; L1344-L1347 HydrophobicContact CG-CB 4.18Å; L1344-L1347 HydrophobicContact CG-CD1 4.09Å; L1344-L1347 PolarHBondContact O-N 2.82Å; L1347-N1349 VanDerWaalsContact C-N 3.25Å; L1347-N1349 PolarHBondContact O-N 2.84Å
1348	Q	28.6	Very low	28.8	Very low	165 Å²	165	136.7 Å²	136.7	77%	0.771	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	63.5	174.2	-168.6	173.2	-1.9	0	0	110.9
1349	N	34.3	Very low	28.8	Very low	142 Å²	142	136.3 Å²	136.3	76%	0.759	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.3	-25.7	165.7	-98.1	-34.1	0	0	0	115.1	L1347	L1347-N1349 VanDerWaalsContact C-N 3.25Å; L1347-N1349 PolarHBondContact O-N 2.84Å
1350	E	31.4	Very low	29	Very low	165 Å²	165	136.2 Å²	136.2	77%	0.771	72%	0.724	S	S	*	*	S	Bend	trans	-97.3	-4.4	-165.8	-67.7	-170.2	143.6	0	0	116.7
1351	I	32.4	Very low	28.7	Very low	159 Å²	159	135.4 Å²	135.4	82%	0.815	72%	0.721	S	S	*	*	S	Bend	trans	-106.9	36.9	172.6	-41.1	-175.7	0	0	0	110.4
1352	S	26.5	Very low	29.1	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	72%	0.721	S	S	*	*	S	Bend	trans	-128.9	34.6	176.2	-70.6	0	0	0	0	112.3
1353	T	28.2	Very low	29	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	71%	0.711	S	S	*	*			trans	-170.9	96.8	159.8	7.8	0	0	0	0	111.8
1354	E	29.1	Very low	28.9	Very low	182 Å²	182	137 Å²	137	85%	0.85	72%	0.718	S	S	*	*			trans	-163	128.3	139.1	-117.8	173.9	-174.9	0	0	113.2
1355	M	28	Very low	28.9	Very low	158 Å²	158	138.2 Å²	138.2	78%	0.778	72%	0.717	S	S	*	*			trans	34.5	104.3	152.8	-66.2	171	53.9	0	0	117.7
1356	E	26.4	Very low	28.6	Very low	137 Å²	137	138.5 Å²	138.5	64%	0.64	72%	0.719	S	S	*	*			cis	56.7	121.6	39.6	-148.5	-158.5	-98.3	0	0	114.1
1357	R	26.8	Very low	28.4	Very low	205 Å²	205	140.1 Å²	140.1	77%	0.774	73%	0.729	S	S	*	*			trans	75.3	140.4	-176.4	-46.1	147.8	-158.3	-177.6	9.5	112
1358	S	30.9	Very low	28.3	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	74%	0.735	S	S	*	*			cis	-143.5	126.3	22.5	-55.9	0	0	0	0	110.1
1359	Q	27	Very low	28.1	Very low	164 Å²	164	137.1 Å²	137.1	77%	0.766	73%	0.733	S	S	*	*				76.7	134	93.6	-69.8	-178.8	-28.5	0	0	118.2
1360	M	28.1	Very low	27.8	Very low	144 Å²	144	133.9 Å²	133.9	71%	0.709	72%	0.721	S	S	*	*			trans	72.3	90.2	139.5	-69	169.4	63.1	0	0	122
1361	S	25.1	Very low	27.6	Very low	88 Å²	88	134.1 Å²	134.1	62%	0.615	72%	0.719	S	S	*	*				33.7	100	106.6	67.5	0	0	0	0	120.8
1362	I	32.2	Very low	27.4	Very low	161 Å²	161	134.2 Å²	134.2	83%	0.826	71%	0.714	S	S	*	*			trans	-138.2	105.7	139.7	-66.9	95.2	0	0	0	103.8
1363	T	24.5	Very low	27.5	Very low	98 Å²	98	139 Å²	139	60%	0.601	72%	0.717	S	S	*	*			cis	74.5	126.2	35.1	-30.8	0	0	0	0	113.7
1364	E	25.4	Very low	27.5	Very low	142 Å²	142	139.1 Å²	139.1	66%	0.664	71%	0.712	S	S	*	*			trans	74.2	140.9	165.6	-48.1	-160.7	105.6	0	0	120.7
1365	K	26.2	Very low	27.5	Very low	168 Å²	168	135.4 Å²	135.4	73%	0.73	70%	0.702	S	S	*	*			trans	66.2	140.7	145.8	-68.7	153.2	-164.1	162	0	117.3
1366	S	27	Very low	27.6	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	70%	0.699	S	S	*	*			cis	-154.2	144.1	4.9	50.6	0	0	0	0	111.9	P1368	S1366-P1368 WeakPolarHBondContact O-CD 3.26Å
1367	T	30.9	Very low	27.4	Very low	139 Å²	139	132 Å²	132	85%	0.853	70%	0.701	S	S	*	*			trans	-64.2	126.3	149.1	40.6	0	0	0	0	108.9
1368	P	26.2	Very low	27.4	Very low	98 Å²	98	131.1 Å²	131.1	64%	0.636	70%	0.703	S	S	*	*				-114.2	146.7	114	-11.9	31.4	0	0	0	110.4	S1366	S1366-P1368 WeakPolarHBondContact O-CD 3.26Å
1369	S	24.6	Very low	27.2	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	70%	0.701	S	S	*	*				55.4	128.4	63.7	132.1	0	0	0	0	111.8
1370	S	27.1	Very low	27.1	Very low	74 Å²	74	129.6 Å²	129.6	52%	0.517	70%	0.696	S	S	.	*			cis	-177.2	-173.3	11.7	53	0	0	0	0	109
1371	K	27.6	Very low	27	Very low	169 Å²	169	128 Å²	128	74%	0.735	69%	0.69	S	S	*	*			trans	51	107.3	149.4	-64.6	157	-158.5	153.4	0	114.2
1372	K	28.3	Very low	27	Very low	161 Å²	161	131.4 Å²	131.4	70%	0.7	69%	0.694	S	S	*	*				-159.7	140.7	66.1	-105.9	126.8	-176.8	-177.3	0	109.6
1373	R	27.6	Very low	26.7	Very low	202 Å²	202	130.1 Å²	130.1	76%	0.762	68%	0.684	S	S	*	*				54.8	131.5	94.1	-65.2	-166.6	-169	157.4	-4	111.2
1374	N	28.4	Very low	26.7	Very low	132 Å²	132	131 Å²	131	71%	0.706	69%	0.694	S	S	*	*			cis	-168.7	168.3	18.8	-111.5	7.2	0	0	0	106.9
1375	V	28.7	Very low	26.7	Very low	104 Å²	104	132.2 Å²	132.2	63%	0.63	69%	0.694	S	S	*	*			cis	-176.7	174.5	-18.5	64.4	0	0	0	0	105.5
1376	I	29.9	Very low	26.8	Very low	141 Å²	141	131.1 Å²	131.1	72%	0.723	70%	0.695	S	S	*	*			trans	61.9	89.1	172.5	-64	163.9	0	0	0	110.8
1377	A	24.1	Very low	26.7	Very low	83 Å²	83	133.9 Å²	133.9	69%	0.686	70%	0.695	S	S	*	*			cis	52.3	156.4	28.7	0	0	0	0	0	113.4
1378	K	25.7	Very low	26.7	Very low	187 Å²	187	136 Å²	136	81%	0.813	70%	0.696	S	S	*	*			trans	67.3	139.7	178.2	-82.5	-170.9	174.6	-172.7	0	115.9
1379	T	26.5	Very low	26.6	Very low	107 Å²	107	135.2 Å²	135.2	66%	0.656	69%	0.689	S	S	*	*			trans	66.3	130	135	62.2	0	0	0	0	118.2
1380	D	25.9	Very low	26.7	Very low	125 Å²	125	137.4 Å²	137.4	67%	0.668	69%	0.693	S	S	*	*			cis	-173.6	-169.6	5.4	-130.9	-27.2	0	0	0	114.6
1381	L	25.6	Very low	26.6	Very low	111 Å²	111	141.2 Å²	141.2	58%	0.581	71%	0.706	S	S	*	*			trans	39.6	102.7	136.7	-59.9	158.6	0	0	0	117.5
1382	K	24.6	Very low	26.6	Very low	158 Å²	158	138.7 Å²	138.7	69%	0.687	70%	0.7	S	S	*	*				69.4	141	113.9	-70.6	173	-177.1	170.8	0	119.9
1383	Q	25.3	Very low	26.4	Very low	135 Å²	135	136.6 Å²	136.6	63%	0.631	71%	0.706	S	S	*	*				45.8	85.9	127.9	-52.5	167.7	-38.6	0	0	117	Y1385	Q1383-Y1385 HydrophobicContact CB-CD2 4.12Å; Q1383-Y1385 HydrophobicContact CB-CE2 4.06Å
1384	S	25.2	Very low	26.3	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	70%	0.701	S	S	*	*				-127.8	123.2	122.4	-67	0	0	0	0	106.8
1385	Y	25.6	Very low	26.2	Very low	168 Å²	168	133.7 Å²	133.7	66%	0.659	71%	0.705	S	S	*	*				59.2	122.4	58.5	-68.6	-72.4	0	0	0	110.1	Q1383	Q1383-Y1385 HydrophobicContact CB-CD2 4.12Å; Q1383-Y1385 HydrophobicContact CB-CE2 4.06Å
1386	L	28.9	Very low	26.1	Very low	146 Å²	146	135.2 Å²	135.2	76%	0.764	71%	0.708	S	S	*	*			cis	-126.8	158.9	3.9	-74.2	100.6	0	0	0	110.6
1387	K	25.2	Very low	25.8	Very low	153 Å²	153	134.2 Å²	134.2	67%	0.665	70%	0.7	S	S	*	*			cis	67.4	86.6	41.7	-97.5	-158.1	174.3	-160.7	0	114.7	T1389	K1387-T1389 HydrophobicContact CB-CG2 4.28Å; K1387-T1389 HydrophobicContact CD-CG2 4.19Å; K1387-T1389 HydrophobicContact CG-CG2 3.92Å
1388	E	29.1	Very low	25.9	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	70%	0.703	S	S	*	*			trans	-150.9	90.5	138.2	-109	151.1	-144.7	0	0	105.3
1389	T	25.1	Very low	26	Very low	81 Å²	81	139.3 Å²	139.3	50%	0.497	71%	0.705	S	S	.	*				55.9	118.9	61.5	75.1	0	0	0	0	113.4	K1387	K1387-T1389 HydrophobicContact CB-CG2 4.28Å; K1387-T1389 HydrophobicContact CD-CG2 4.19Å; K1387-T1389 HydrophobicContact CG-CG2 3.92Å
1390	D	26.2	Very low	25.9	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	71%	0.708	S	S	*	*			trans	51.2	115	151.4	-48.1	-31.8	0	0	0	118.2
1391	L	26.1	Very low	26.1	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	72%	0.716	S	S	*	*				-164.6	109.7	129.8	-105	161.3	0	0	0	110.6
1392	L	26.7	Very low	26.1	Very low	116 Å²	116	137.1 Å²	137.1	61%	0.607	73%	0.727	S	S	*	*			trans	65.5	115.1	163.8	-54.9	144.6	0	0	0	114.8	N1394	L1392-N1394 HydrophobicContact CB-CB 4.42Å; L1392-N1394 HydrophobicContact CD2-CB 3.76Å; L1392-N1394 WeakPolarHBondContact CD2-ND2 3.27Å
1393	S	24.2	Very low	26.1	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	74%	0.739	S	S	*	*			cis	54.4	41.2	10.1	88.6	0	0	0	0	115.2
1394	N	25.4	Very low	26.1	Very low	123 Å²	123	140.8 Å²	140.8	66%	0.658	75%	0.747	S	S	*	*			trans	-161.6	161.3	157.2	-101.2	-35.2	0	0	0	111.6	L1392	L1392-N1394 HydrophobicContact CB-CB 4.42Å; L1392-N1394 HydrophobicContact CD2-CB 3.76Å; L1392-N1394 WeakPolarHBondContact CD2-ND2 3.27Å
1395	L	26.1	Very low	26.1	Very low	150 Å²	150	141.8 Å²	141.8	79%	0.785	74%	0.737	S	S	*	*			trans	69.8	99.8	175.6	-59.2	156.3	0	0	0	114.2
1396	I	26.4	Very low	26.2	Very low	135 Å²	135	143.8 Å²	143.8	69%	0.692	75%	0.745	S	S	*	*				70.1	121.3	59.2	-58.7	167	0	0	0	110.1
1397	E	24.8	Very low	26	Very low	120 Å²	120	142.3 Å²	142.3	56%	0.561	73%	0.734	S	S	*	*			cis	-166.7	153.3	-3.7	-118.7	-170.7	140.2	0	0	110
1398	R	25.6	Very low	25.9	Very low	195 Å²	195	144.6 Å²	144.6	74%	0.736	74%	0.738	S	S	*	*			trans	63.6	158.2	157.6	-57.3	160	-165.5	-179.7	11.4	114.2
1399	Q	27.5	Very low	25.7	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	73%	0.727	S	S	*	*			cis	-147.8	170.5	1.7	-137.2	162.5	7	0	0	109.2
1400	A	25.6	Very low	25.6	Very low	87 Å²	87	144.9 Å²	144.9	72%	0.719	74%	0.738	S	S	*	*			trans	-102.3	-175.2	176.8	0	0	0	0	0	111.1
1401	P	28.5	Very low	25.5	Very low	131 Å²	131	143.4 Å²	143.4	85%	0.851	74%	0.735	S	S	*	*				-126	151.1	-51.4	32.1	-17.7	0	0	0	112.6
1402	G	26.4	Very low	25.4	Very low	79 Å²	79	141.8 Å²	141.8	81%	0.814	73%	0.726	S	S	*	*			trans	-147.9	141	174.4	0	0	0	0	0	113
1403	R	24.6	Very low	25.2	Very low	245 Å²	245	144.2 Å²	144.2	93%	0.925	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-77.2	149.4	178.6	-79.3	-177.9	174.7	173.1	-1.4	111.4
1404	P	25.9	Very low	25.2	Very low	124 Å²	124	144.2 Å²	144.2	81%	0.805	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-72.2	138.9	-169	28	-35.4	0	0	0	113.9
1405	K	24.4	Very low	25.2	Very low	137 Å²	137	145.2 Å²	145.2	60%	0.596	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69.9	154.6	164.3	-63.9	161.7	138.5	-146.3	0	111.6	E1407	K1405-E1407 HydrophobicContact CB-CG 4.43Å; K1405-E1407 VanDerWaalsContact CD-OE2 3.28Å; K1405-E1407 WeakPolarHBondContact CD-OE2 3.35Å; K1405-E1407 VanDerWaalsContact CE-CD 3.5Å; K1405-E1407 WeakPolarHBondContact CE-OE1 3.37Å; K1405-E1407 WeakPolarHBondContact CE-OE2 3.29Å; K1405-E1407 IonicContact NZ-OE1 2.66Å; K1405-E1407 PolarHBondContact NZ-OE1 3.47Å; K1405-E1407 IonicContact NZ-OE2 2.76Å; K1405-E1407 PolarHBondContact NZ-OE2 3.31Å
1406	Y	27.8	Very low	25.1	Very low	210 Å²	210	144.4 Å²	144.4	82%	0.824	73%	0.725	S	S	*	*				-161.4	95.4	127.5	-79.7	-70.9	0	0	0	102.9
1407	E	25.4	Very low	25	Very low	115 Å²	115	146.3 Å²	146.3	54%	0.537	73%	0.728	S	S	.	*				43.2	105.2	68.2	-72.4	178.1	162.3	0	0	110.8	K1405	K1405-E1407 HydrophobicContact CB-CG 4.43Å; K1405-E1407 VanDerWaalsContact CD-OE2 3.28Å; K1405-E1407 WeakPolarHBondContact CD-OE2 3.35Å; K1405-E1407 VanDerWaalsContact CE-CD 3.5Å; K1405-E1407 WeakPolarHBondContact CE-OE1 3.37Å; K1405-E1407 WeakPolarHBondContact CE-OE2 3.29Å; K1405-E1407 IonicContact NZ-OE1 2.66Å; K1405-E1407 PolarHBondContact NZ-OE1 3.47Å; K1405-E1407 IonicContact NZ-OE2 2.76Å; K1405-E1407 PolarHBondContact NZ-OE2 3.31Å
1408	R	23.1	Very low	25.1	Very low	200 Å²	200	146.8 Å²	146.8	76%	0.755	74%	0.74	S	S	*	*				65.8	134.2	78.9	-80.2	176.5	164.2	-145.3	9	110.4
1409	E	23.9	Very low	25.1	Very low	134 Å²	134	144.6 Å²	144.6	63%	0.626	74%	0.743	S	S	*	*			cis	-150.1	174.1	26.2	-119.9	137.8	-142.1	0	0	113.1
1410	N	23.6	Very low	25.1	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	74%	0.738	S	S	*	*			trans	-1.1	150.9	148.8	-45	-22.8	0	0	0	118.1
1411	T	23.9	Very low	25.4	Very low	118 Å²	118	145.3 Å²	145.3	72%	0.724	75%	0.745	S	S	*	*			cis	-161.9	130.4	45	-47.8	0	0	0	0	114
1412	I	23	Very low	25.4	Very low	121 Å²	121	144.2 Å²	144.2	62%	0.621	74%	0.74	S	S	*	*			trans	-3.7	159.4	143.1	-16.1	168	0	0	0	120.5
1413	F	23.2	Very low	25.5	Very low	167 Å²	167	146.3 Å²	146.3	73%	0.732	74%	0.74	S	S	*	*			trans	85.8	145.2	156.7	-58.2	-49.7	0	0	0	117.2
1414	L	24.6	Very low	25.6	Very low	118 Å²	118	137.7 Å²	137.7	62%	0.618	73%	0.727	S	S	*	*			cis	-152.4	153.9	-3.7	-120	166.2	0	0	0	109.9	E1416	L1414-E1416 HydrophobicContact CB-CG 4.38Å; L1414-E1416 HydrophobicContact CD1-CG 4.14Å; L1414-E1416 HydrophobicContact CD2-CG 3.99Å; L1414-E1416 HydrophobicContact CG-CG 4.37Å
1415	T	25.2	Very low	25.8	Very low	143 Å²	143	141.6 Å²	141.6	88%	0.877	73%	0.731	S	S	*	*			trans	-129.5	124.2	145.7	39.6	0	0	0	0	107.2
1416	E	23.6	Very low	26.1	Very low	133 Å²	133	141.7 Å²	141.7	62%	0.621	74%	0.737	S	S	*	*			trans	-92.9	-171.7	-164.1	-60.8	176.8	122	0	0	113.4	L1414	L1414-E1416 HydrophobicContact CB-CG 4.38Å; L1414-E1416 HydrophobicContact CD1-CG 4.14Å; L1414-E1416 HydrophobicContact CD2-CG 3.99Å; L1414-E1416 HydrophobicContact CG-CG 4.37Å
1417	F	24.4	Very low	26.6	Very low	175 Å²	175	138.4 Å²	138.4	77%	0.768	73%	0.734	S	S	*	*			trans	79.7	132.2	171.6	-56.4	-81.8	0	0	0	115.7
1418	T	27.6	Very low	27.7	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	74%	0.741	S	S	*	*			cis	-128.4	153.3	10.6	48.7	0	0	0	0	114.5
1419	N	25.3	Very low	29.6	Very low	148 Å²	148	131 Å²	131	79%	0.791	71%	0.71	S	S	*	*			trans	-61.9	149.4	176.6	-50.8	-34.3	0	0	0	114.5
1420	T	27.3	Very low	31.6	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	72%	0.717	S	S	*	*			trans	-146.1	124.2	133.4	48	0	0	0	0	110.6
1421	D	31.1	Very low	33.9	Very low	161 Å²	161	126.3 Å²	126.3	86%	0.861	69%	0.688	S	S	*	*			trans	60.7	131.9	147.1	-50.1	-29	0	0	0	122.9
1422	S	28.6	Very low	36.5	Very low	108 Å²	108	121.3 Å²	121.3	76%	0.755	66%	0.658	S	S	*	*			trans	-111.5	168.5	179.9	61.6	0	0	0	0	111.7
1423	P	28.5	Very low	39.1	Very low	124 Å²	124	123 Å²	123	81%	0.805	66%	0.663	S	S	*	*			cis	-132.6	84.5	-30.1	30.6	-10	0	0	0	109.7
1424	G	28.5	Very low	41.8	Very low	63 Å²	63	116.1 Å²	116.1	65%	0.649	63%	0.633	S	S	*	*			trans	-78.3	152.6	170.5	0	0	0	0	0	111.8	I1426	G1424-I1426 VanDerWaalsContact C-N 3.34Å; G1424-I1426 PolarHBondContact O-N 2.89Å
1425	K	29.3	Very low	44.5	Very low	206 Å²	206	110.5 Å²	110.5	90%	0.896	60%	0.603	S	S	*	*			trans	-66.8	97.4	159.4	-84.3	-170.6	172.1	-168.7	0	108.4
1426	I	29.5	Very low	47	Very low	139 Å²	139	109.2 Å²	109.2	71%	0.713	59%	0.587	S	S	*	*			trans	-105.9	107.8	163.2	-57.6	176.1	0	0	0	104.7	G1424 I1428	G1424-I1426 VanDerWaalsContact C-N 3.34Å; G1424-I1426 PolarHBondContact O-N 2.89Å; I1426-I1428 VanDerWaalsContact C-N 3.31Å; I1426-I1428 PolarHBondContact O-N 2.86Å
1427	D	39	Very low	49.6	Very low	142 Å²	142	107.1 Å²	107.1	76%	0.759	59%	0.587	S	S	*	*			trans	-70.2	91.8	176.8	-71.2	-57.1	0	0	0	108.5	F1429	D1427-F1429 PolarHBondContact O-N 2.96Å
1428	I	48.4	Very low	52.3	Low	133 Å²	133	99.7 Å²	99.7	68%	0.682	56%	0.555	S	S	*	*			trans	-60.9	111.6	-179.4	-59	177.3	0	0	0	107.9	I1426 L1430	I1426-I1428 VanDerWaalsContact C-N 3.31Å; I1426-I1428 PolarHBondContact O-N 2.86Å; I1428-L1430 PolarHBondContact O-N 2.85Å
1429	F	62.5	Low	54.6	Low	26 Å²	26	101 Å²	101	11%	0.114	55%	0.545	C	S	.	.			trans	-56.2	103.5	-179.4	-176.9	-100.7	0	0	0	111.5	D1427 L1431 L1449 E1454 P1455 W1458	D1427-F1429 PolarHBondContact O-N 2.96Å; F1429-L1431 HydrophobicContact CE1-CD1 4.26Å; F1429-L1449 WeakPolarHBondContact CD1-O 3.46Å; F1429-L1449 HydrophobicContact CE1-CB 4.3Å; F1429-L1449 HydrophobicContact CE1-CD2 3.59Å; F1429-L1449 WeakPolarHBondContact CE1-O 3.47Å; F1429-L1449 HydrophobicContact CZ-CD2 3.51Å; F1429-E1454 HydrophobicContact CD2-CB 4.03Å; F1429-E1454 HydrophobicContact CD2-CG 4.15Å; F1429-E1454 HydrophobicContact CE2-CB 4.47Å; F1429-E1454 HydrophobicContact CE2-CG 4.15Å; F1429-P1455 HydrophobicContact CE2-CG 4.34Å; F1429-P1455 HydrophobicContact CZ-CG 4.16Å; F1429-W1458 AromaticContact CE2-CD1 3.74Å; F1429-W1458 AromaticContact CE2-CD2 3.77Å; F1429-W1458 HydrophobicContact CE2-CD2 3.77Å; F1429-W1458 AromaticContact CE2-CE2 3.52Å; F1429-W1458 HydrophobicContact CE2-CE3 4.47Å; F1429-W1458 AromaticContact CE2-CG 3.92Å; F1429-W1458 HydrophobicContact CE2-CG 3.92Å; F1429-W1458 HydrophobicContact CE2-CZ2 4.02Å; F1429-W1458 AromaticContact CE2-NE1 3.48Å; F1429-W1458 AromaticContact CZ-CD2 3.79Å; F1429-W1458 HydrophobicContact CZ-CD2 3.79Å; F1429-W1458 AromaticContact CZ-CE2 3.5Å; F1429-W1458 HydrophobicContact CZ-CE3 4.09Å; F1429-W1458 HydrophobicContact CZ-CG 4.42Å; F1429-W1458 AromaticContact CZ-CH2 3.9Å; F1429-W1458 HydrophobicContact CZ-CH2 3.9Å; F1429-W1458 AromaticContact CZ-CZ2 3.55Å; F1429-W1458 HydrophobicContact CZ-CZ2 3.55Å; F1429-W1458 HydrophobicContact CZ-CZ3 4.15Å; F1429-W1458 AromaticContact CZ-NE1 3.96Å
1430	L	66.7	Low	57	Low	148 Å²	148	101.5 Å²	101.5	78%	0.775	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-83.1	118.6	178.6	-84.6	163.1	0	0	0	109.7	I1428	I1428-L1430 PolarHBondContact O-N 2.85Å
1431	L	72.5	Confident	59.3	Low	25 Å²	25	96.3 Å²	96.3	13%	0.131	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-61.4	130	173.2	-140.3	85	0	0	0	109.6	F1429 L1435 R1439 L1444 L1449 L1450	F1429-L1431 HydrophobicContact CE1-CD1 4.26Å; L1431-L1435 HydrophobicContact CD2-CB 3.78Å; L1431-L1435 WeakPolarHBondContact CD2-O 3.39Å; L1431-L1435 HydrophobicContact CG-CB 3.98Å; L1431-R1439 HydrophobicContact CD2-CB 4.31Å; L1431-L1444 HydrophobicContact CD1-CD1 4.49Å; L1431-L1444 HydrophobicContact CD2-CD1 3.78Å; L1431-L1449 HydrophobicContact CD1-CB 4.23Å; L1431-L1449 WeakPolarHBondContact CD1-O 3.33Å; L1431-L1450 HydrophobicContact CD1-CD2 4.18Å
1432	P	78.8	Confident	61.3	Low	12 Å²	12	93 Å²	93	8%	0.078	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-59.3	151.8	178.3	-26.5	35.7	0	0	0	113.1	F1434 L1435 Q1436 W1458	P1432-F1434 HydrophobicContact CB-CD1 3.74Å; P1432-F1434 HydrophobicContact CB-CE1 3.37Å; P1432-F1434 HydrophobicContact CB-CE2 4.37Å; P1432-F1434 HydrophobicContact CB-CG 4.38Å; P1432-F1434 HydrophobicContact CB-CZ 3.72Å; P1432-F1434 HydrophobicContact CG-CE1 4.12Å; P1432-F1434 HydrophobicContact CG-CZ 4.05Å; P1432-F1434 PolarHBondContact O-N 2.96Å; P1432-F1434 VanDerWaalsContact O-N 3.17Å; P1432-L1435 CarbonylContact O-C 3.57Å; P1432-L1435 WeakPolarHBondContact O-CA 3.44Å; P1432-L1435 PolarHBondContact O-N 2.98Å; P1432-Q1436 PolarHBondContact O-N 3.25Å; P1432-W1458 HydrophobicContact CG-CH2 3.96Å; P1432-W1458 HydrophobicContact CG-CZ2 3.58Å
1433	E	77.2	Confident	63.5	Low	158 Å²	158	87.9 Å²	87.9	74%	0.738	46%	0.456	S	S	*	.	H	α-helix	trans	-53.6	-40.3	-178.6	-170.3	175.5	-165	0	0	112.3	L1435 Q1436	E1433-L1435 VanDerWaalsContact C-N 3.28Å; E1433-L1435 PolarHBondContact O-N 2.75Å; E1433-Q1436 WeakPolarHBondContact O-CB 3.5Å; E1433-Q1436 PolarHBondContact O-N 2.99Å; E1433-Q1436 VanDerWaalsContact O-N 3.17Å
1434	F	79.4	Confident	65.8	Low	21 Å²	21	82 Å²	82	9%	0.092	42%	0.418	C	S	.	.	H	α-helix	trans	-71.6	-13.9	177	65.5	-94.5	0	0	0	114.7	P1432 L1467 F1470 L1513	P1432-F1434 HydrophobicContact CB-CD1 3.74Å; P1432-F1434 HydrophobicContact CB-CE1 3.37Å; P1432-F1434 HydrophobicContact CB-CE2 4.37Å; P1432-F1434 HydrophobicContact CB-CG 4.38Å; P1432-F1434 HydrophobicContact CB-CZ 3.72Å; P1432-F1434 HydrophobicContact CG-CE1 4.12Å; P1432-F1434 HydrophobicContact CG-CZ 4.05Å; P1432-F1434 PolarHBondContact O-N 2.96Å; P1432-F1434 VanDerWaalsContact O-N 3.17Å; F1434-L1467 HydrophobicContact CD2-CD1 3.95Å; F1434-L1467 HydrophobicContact CE2-CD1 4.11Å; F1434-F1470 HydrophobicContact CE2-CB 3.78Å; F1434-F1470 AromaticContact CE2-CD1 3.96Å; F1434-F1470 HydrophobicContact CE2-CD1 3.96Å; F1434-F1470 AromaticContact CE2-CG 3.85Å; F1434-F1470 HydrophobicContact CE2-CG 3.85Å; F1434-F1470 HydrophobicContact CZ-CB 3.75Å; F1434-F1470 HydrophobicContact CZ-CG 4.23Å; F1434-L1513 HydrophobicContact CD2-CD2 4.26Å; F1434-L1513 VanDerWaalsContact O-CD2 3.23Å; F1434-L1513 WeakPolarHBondContact O-CD2 3.26Å
1435	L	81	Confident	67.7	Low	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-99.9	-11.3	170.1	-65	-173.6	0	0	0	112.9	L1431 P1432 E1433 S1437 F1438 R1439 W1443 L1444 W1458 F1470 L1513	L1431-L1435 HydrophobicContact CD2-CB 3.78Å; L1431-L1435 WeakPolarHBondContact CD2-O 3.39Å; L1431-L1435 HydrophobicContact CG-CB 3.98Å; P1432-L1435 CarbonylContact O-C 3.57Å; P1432-L1435 WeakPolarHBondContact O-CA 3.44Å; P1432-L1435 PolarHBondContact O-N 2.98Å; E1433-L1435 VanDerWaalsContact C-N 3.28Å; E1433-L1435 PolarHBondContact O-N 2.75Å; L1435-S1437 VanDerWaalsContact C-N 3.32Å; L1435-S1437 PolarHBondContact O-N 2.76Å; L1435-F1438 WeakPolarHBondContact O-CA 3.29Å; L1435-F1438 PolarHBondContact O-N 2.93Å; L1435-R1439 PolarHBondContact O-N 3.08Å; L1435-W1443 HydrophobicContact CD2-CH2 4.04Å; L1435-L1444 HydrophobicContact CD1-CD2 4.3Å; L1435-W1458 HydrophobicContact CD1-CH2 4.29Å; L1435-F1470 HydrophobicContact CD1-CD2 4.15Å; L1435-F1470 HydrophobicContact CD1-CE2 3.71Å; L1435-F1470 HydrophobicContact CD1-CZ 3.9Å; L1435-F1470 HydrophobicContact CD2-CE1 3.98Å; L1435-F1470 HydrophobicContact CD2-CZ 4.02Å; L1435-L1513 HydrophobicContact CD2-CD1 4.34Å; L1435-L1513 HydrophobicContact CD2-CD2 4.24Å
1436	Q	78.4	Confident	69.5	Low	116 Å²	116	73.9 Å²	73.9	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-70	-27.5	-167.6	-162.5	166.3	-0.6	0	0	113.4	P1432 E1433 F1438 R1439	P1432-Q1436 PolarHBondContact O-N 3.25Å; E1433-Q1436 WeakPolarHBondContact O-CB 3.5Å; E1433-Q1436 PolarHBondContact O-N 2.99Å; E1433-Q1436 VanDerWaalsContact O-N 3.17Å; Q1436-F1438 VanDerWaalsContact C-N 3.26Å; Q1436-F1438 PolarHBondContact O-N 3.32Å; Q1436-R1439 WeakPolarHBondContact O-CB 3.38Å; Q1436-R1439 PolarHBondContact O-N 2.92Å
1437	S	78.6	Confident	71.3	Confident	89 Å²	89	68.5 Å²	68.5	62%	0.622	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.6	167.2	44.9	0	0	0	0	113.3	L1435	L1435-S1437 VanDerWaalsContact C-N 3.32Å; L1435-S1437 PolarHBondContact O-N 2.76Å
1438	F	80.6	Confident	72.6	Confident	19 Å²	19	62.5 Å²	62.5	8%	0.083	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	9.4	-176.8	-52.7	-70.9	0	0	0	113.4	L1435 Q1436 N1440 S1441 L1444 D1509 T1512 L1513	L1435-F1438 WeakPolarHBondContact O-CA 3.29Å; L1435-F1438 PolarHBondContact O-N 2.93Å; Q1436-F1438 VanDerWaalsContact C-N 3.26Å; Q1436-F1438 PolarHBondContact O-N 3.32Å; F1438-N1440 PolarHBondContact O-N 3.06Å; F1438-S1441 WeakPolarHBondContact O-CB 3.44Å; F1438-S1441 PolarHBondContact O-N 3.21Å; F1438-S1441 PolarHBondContact O-OG 2.95Å; F1438-L1444 HydrophobicContact CB-CD1 4.32Å; F1438-L1444 WeakPolarHBondContact O-CD1 3.21Å; F1438-D1509 HydrophobicContact CD1-CB 3.54Å; F1438-D1509 VanDerWaalsContact CD1-CG 3.42Å; F1438-D1509 HydrophobicContact CE1-CB 3.7Å; F1438-D1509 HydrophobicContact CG-CB 4.24Å; F1438-T1512 VanDerWaalsContact CE1-OG1 3.25Å; F1438-T1512 WeakPolarHBondContact CE1-OG1 3.27Å; F1438-T1512 WeakPolarHBondContact CZ-OG1 3.35Å; F1438-L1513 HydrophobicContact CD2-CD2 4.24Å; F1438-L1513 HydrophobicContact CD2-CG 4.25Å; F1438-L1513 HydrophobicContact CE2-CD1 4.24Å; F1438-L1513 HydrophobicContact CE2-CD2 3.62Å; F1438-L1513 HydrophobicContact CE2-CG 3.53Å; F1438-L1513 HydrophobicContact CZ-CD2 4.48Å; F1438-L1513 HydrophobicContact CZ-CG 3.98Å
1439	R	76.4	Confident	73.5	Confident	159 Å²	159	56.3 Å²	56.3	60%	0.6	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.2	-174.1	-173	177.5	-177.3	-172.6	2.4	114.7	L1431 L1435 Q1436 L1450	L1431-R1439 HydrophobicContact CD2-CB 4.31Å; L1435-R1439 PolarHBondContact O-N 3.08Å; Q1436-R1439 WeakPolarHBondContact O-CB 3.38Å; Q1436-R1439 PolarHBondContact O-N 2.92Å; R1439-L1450 HydrophobicContact CG-CD2 4.3Å
1440	N	75.1	Confident	73.7	Confident	159 Å²	159	58.6 Å²	58.6	85%	0.85	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.8	-179.9	-61.2	-13.3	0	0	0	113.8	F1438	F1438-N1440 PolarHBondContact O-N 3.06Å
1441	S	74.8	Confident	73.5	Confident	14 Å²	14	56.8 Å²	56.8	10%	0.098	29%	0.29	C	S	.	.			trans	-79.4	130	-172.6	-66.6	0	0	0	0	112.9	F1438 W1443 L1444 D1509	F1438-S1441 WeakPolarHBondContact O-CB 3.44Å; F1438-S1441 PolarHBondContact O-N 3.21Å; F1438-S1441 PolarHBondContact O-OG 2.95Å; S1441-W1443 PolarHBondContact O-N 3.11Å; S1441-L1444 PolarHBondContact O-N 3.07Å; S1441-D1509 WeakPolarHBondContact CB-OD2 3.23Å; S1441-D1509 PolarHBondContact OG-OD2 3.42Å
1442	R	72.6	Confident	72.8	Confident	92 Å²	92	57.3 Å²	57.3	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-50.2	-36.1	-176.7	-64.6	-177.9	178.7	-168.4	1.1	113.4	L1444 S1445 I1446 D1494 Q1501 T1502	R1442-L1444 PolarHBondContact O-N 2.9Å; R1442-S1445 WeakPolarHBondContact O-CB 3.26Å; R1442-S1445 PolarHBondContact O-N 3.19Å; R1442-I1446 PolarHBondContact O-N 3.27Å; R1442-D1494 IonicContact CZ-OD2 3.71Å; R1442-D1494 IonicContact NH1-OD2 3.55Å; R1442-D1494 PolarHBondContact NH1-OD2 3.39Å; R1442-D1494 VanDerWaalsContact NH1-OD2 3.12Å; R1442-D1494 IonicContact NH2-OD2 2.97Å; R1442-D1494 PolarHBondContact NH2-OD2 3.04Å; R1442-Q1501 VanDerWaalsContact NH1-CD 3.31Å; R1442-T1502 HydrophobicContact CB-CG2 4.42Å
1443	W	76.4	Confident	72.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-38.4	-178.4	68.8	-92	0	0	0	113.4	L1435 S1441 S1445 I1446 M1447 F1470 T1502 F1506 D1509	L1435-W1443 HydrophobicContact CD2-CH2 4.04Å; S1441-W1443 PolarHBondContact O-N 3.11Å; W1443-S1445 PolarHBondContact O-N 3.4Å; W1443-I1446 PolarHBondContact O-N 3.43Å; W1443-I1446 VanDerWaalsContact O-N 3.1Å; W1443-M1447 HydrophobicContact CE3-CE 3.65Å; W1443-M1447 HydrophobicContact CE3-CG 3.85Å; W1443-M1447 HydrophobicContact CZ3-CE 4.01Å; W1443-M1447 HydrophobicContact CZ3-CG 4.23Å; W1443-M1447 VanDerWaalsContact O-CG 3.27Å; W1443-M1447 WeakPolarHBondContact O-CG 3.36Å; W1443-M1447 PolarHBondContact O-N 3.16Å; W1443-F1470 HydrophobicContact CH2-CE1 4.38Å; W1443-F1470 AromaticContact CH2-CZ 3.9Å; W1443-F1470 HydrophobicContact CH2-CZ 3.9Å; W1443-F1470 AromaticContact CZ3-CZ 3.99Å; W1443-F1470 HydrophobicContact CZ3-CZ 3.99Å; W1443-T1502 VanDerWaalsContact CA-CG2 3.48Å; W1443-T1502 HydrophobicContact CB-CG2 3.59Å; W1443-F1506 HydrophobicContact CB-CB 4.18Å; W1443-F1506 AromaticContact CD2-CD2 3.93Å; W1443-F1506 HydrophobicContact CD2-CD2 3.93Å; W1443-F1506 HydrophobicContact CE3-CD2 4.1Å; W1443-F1506 HydrophobicContact CG-CB 4.08Å; W1443-F1506 HydrophobicContact CG-CD2 4.21Å; W1443-D1509 HydrophobicContact CZ2-CB 4.49Å; W1443-D1509 PolarHBondContact NE1-OD2 3.14Å
1444	L	75.6	Confident	71.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-36.7	175.1	-69.6	-178.1	0	0	0	111.9	L1431 L1435 F1438 S1441 R1442 M1447 G1448 L1449 L1450	L1431-L1444 HydrophobicContact CD1-CD1 4.49Å; L1431-L1444 HydrophobicContact CD2-CD1 3.78Å; L1435-L1444 HydrophobicContact CD1-CD2 4.3Å; F1438-L1444 HydrophobicContact CB-CD1 4.32Å; F1438-L1444 WeakPolarHBondContact O-CD1 3.21Å; S1441-L1444 PolarHBondContact O-N 3.07Å; R1442-L1444 PolarHBondContact O-N 2.9Å; L1444-M1447 PolarHBondContact O-N 3.44Å; L1444-G1448 PolarHBondContact O-N 3.26Å; L1444-L1449 HydrophobicContact CB-CB 4.48Å; L1444-L1449 HydrophobicContact CD2-CB 4.27Å; L1444-L1449 HydrophobicContact CD2-CD1 3.54Å; L1444-L1449 PolarHBondContact O-N 3.11Å; L1444-L1449 VanDerWaalsContact O-N 3.1Å; L1444-L1450 HydrophobicContact CB-CD1 4.22Å; L1444-L1450 HydrophobicContact CB-CG 4.15Å
1445	S	69.2	Low	71.1	Confident	59 Å²	59	61.5 Å²	61.5	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-41.3	174.9	-168.3	0	0	0	0	111.7	R1442 W1443 G1448	R1442-S1445 WeakPolarHBondContact O-CB 3.26Å; R1442-S1445 PolarHBondContact O-N 3.19Å; W1443-S1445 PolarHBondContact O-N 3.4Å; S1445-G1448 PolarHBondContact O-N 2.79Å
1446	I	66.4	Low	70.6	Confident	41 Å²	41	68.7 Å²	68.7	21%	0.21	36%	0.356	C	S	.	.	H	α-helix	trans	-69.9	-32.5	176.1	-56.4	-169	0	0	0	111.6	R1442 W1443 G1448 L1483 Y1498 T1502	R1442-I1446 PolarHBondContact O-N 3.27Å; W1443-I1446 PolarHBondContact O-N 3.43Å; W1443-I1446 VanDerWaalsContact O-N 3.1Å; I1446-G1448 PolarHBondContact O-N 2.91Å; I1446-L1483 HydrophobicContact CB-CD2 4.11Å; I1446-L1483 HydrophobicContact CG2-CD2 3.72Å; I1446-Y1498 HydrophobicContact CD1-CD1 4.21Å; I1446-Y1498 HydrophobicContact CD1-CE1 3.48Å; I1446-Y1498 VanDerWaalsContact CD1-CE1 3.48Å; I1446-Y1498 HydrophobicContact CG1-CE1 4.21Å; I1446-T1502 HydrophobicContact CD1-CG2 3.78Å; I1446-T1502 HydrophobicContact CG1-CG2 4.42Å
1447	M	68	Low	70.2	Confident	25 Å²	25	63.5 Å²	63.5	12%	0.123	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.8	172.3	-57.4	-42.2	-160.4	0	0	113.6	W1443 L1444 L1449 L1474 I1479 L1483	W1443-M1447 HydrophobicContact CE3-CE 3.65Å; W1443-M1447 HydrophobicContact CE3-CG 3.85Å; W1443-M1447 HydrophobicContact CZ3-CE 4.01Å; W1443-M1447 HydrophobicContact CZ3-CG 4.23Å; W1443-M1447 VanDerWaalsContact O-CG 3.27Å; W1443-M1447 WeakPolarHBondContact O-CG 3.36Å; W1443-M1447 PolarHBondContact O-N 3.16Å; L1444-M1447 PolarHBondContact O-N 3.44Å; M1447-L1449 HydrophobicContact CB-CB 4.28Å; M1447-L1449 HydrophobicContact CB-CD1 3.58Å; M1447-L1449 HydrophobicContact CB-CG 3.67Å; M1447-L1449 HydrophobicContact CG-CD1 3.8Å; M1447-L1449 HydrophobicContact CG-CG 4.44Å; M1447-L1449 PolarHBondContact O-N 3.48Å; M1447-L1474 HydrophobicContact CE-CD2 3.93Å; M1447-I1479 HydrophobicContact CE-CG2 3.21Å; M1447-I1479 HydrophobicContact SD-CG2 3.33Å; M1447-I1479 WeakPolarHBondContact SD-CG2 3.47Å; M1447-L1483 HydrophobicContact CE-CD1 3.45Å; M1447-L1483 VanDerWaalsContact CE-CD1 3.45Å; M1447-L1483 HydrophobicContact CE-CG 4.1Å; M1447-L1483 HydrophobicContact SD-CD1 4.02Å; M1447-L1483 HydrophobicContact SD-CD2 4.15Å; M1447-L1483 HydrophobicContact SD-CG 4.03Å
1448	G	65.6	Low	70.2	Confident	17 Å²	17	60.2 Å²	60.2	18%	0.175	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	4.5	-169.2	0	0	0	0	0	114.5	L1444 S1445 I1446 L1450 N1451	L1444-G1448 PolarHBondContact O-N 3.26Å; S1445-G1448 PolarHBondContact O-N 2.79Å; I1446-G1448 PolarHBondContact O-N 2.91Å; G1448-L1450 PolarHBondContact O-N 2.91Å; G1448-N1451 WeakPolarHBondContact O-CB 3.41Å; G1448-N1451 PolarHBondContact O-N 3.41Å
1449	L	68.6	Low	70	Confident	3 Å²	3	63 Å²	63	2%	0.016	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.4	-178.6	-72.4	165.9	0	0	0	113.9	F1429 L1431 L1444 M1447 P1455 W1458 F1470 W1473	F1429-L1449 WeakPolarHBondContact CD1-O 3.46Å; F1429-L1449 HydrophobicContact CE1-CB 4.3Å; F1429-L1449 HydrophobicContact CE1-CD2 3.59Å; F1429-L1449 WeakPolarHBondContact CE1-O 3.47Å; F1429-L1449 HydrophobicContact CZ-CD2 3.51Å; L1431-L1449 HydrophobicContact CD1-CB 4.23Å; L1431-L1449 WeakPolarHBondContact CD1-O 3.33Å; L1444-L1449 HydrophobicContact CB-CB 4.48Å; L1444-L1449 HydrophobicContact CD2-CB 4.27Å; L1444-L1449 HydrophobicContact CD2-CD1 3.54Å; L1444-L1449 PolarHBondContact O-N 3.11Å; L1444-L1449 VanDerWaalsContact O-N 3.1Å; M1447-L1449 HydrophobicContact CB-CB 4.28Å; M1447-L1449 HydrophobicContact CB-CD1 3.58Å; M1447-L1449 HydrophobicContact CB-CG 3.67Å; M1447-L1449 HydrophobicContact CG-CD1 3.8Å; M1447-L1449 HydrophobicContact CG-CG 4.44Å; M1447-L1449 PolarHBondContact O-N 3.48Å; L1449-P1455 HydrophobicContact CD2-CG 3.55Å; L1449-P1455 HydrophobicContact CG-CG 4.46Å; L1449-W1458 HydrophobicContact CD2-CE3 3.97Å; L1449-W1458 HydrophobicContact CD2-CH2 3.98Å; L1449-W1458 HydrophobicContact CD2-CZ3 3.49Å; L1449-W1458 VanDerWaalsContact CD2-CZ3 3.49Å; L1449-F1470 HydrophobicContact CD1-CE2 4.47Å; L1449-W1473 HydrophobicContact CD2-CH2 4.32Å
1450	L	66.2	Low	69.9	Low	73 Å²	73	61.8 Å²	61.8	38%	0.382	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-1.1	175.2	-59.2	177.7	0	0	0	113.1	L1431 R1439 L1444 G1448 G1452	L1431-L1450 HydrophobicContact CD1-CD2 4.18Å; R1439-L1450 HydrophobicContact CG-CD2 4.3Å; L1444-L1450 HydrophobicContact CB-CD1 4.22Å; L1444-L1450 HydrophobicContact CB-CG 4.15Å; G1448-L1450 PolarHBondContact O-N 2.91Å; L1450-G1452 VanDerWaalsContact C-N 3.29Å; L1450-G1452 PolarHBondContact O-N 3Å
1451	N	62.5	Low	69.6	Low	111 Å²	111	56.7 Å²	56.7	59%	0.594	31%	0.305	S	S	*	.	S	Bend	trans	-86.9	8.3	-172.2	-62.3	-0.7	0	0	0	113.7	G1448 Q1453	G1448-N1451 WeakPolarHBondContact O-CB 3.41Å; G1448-N1451 PolarHBondContact O-N 3.41Å; N1451-Q1453 PolarHBondContact O-N 2.84Å
1452	G	57.8	Low	69.8	Low	35 Å²	35	60.7 Å²	60.7	36%	0.361	33%	0.325	S	S	.	.	S	Bend	trans	73.9	-12.8	178.3	0	0	0	0	0	116	L1450	L1450-G1452 VanDerWaalsContact C-N 3.29Å; L1450-G1452 PolarHBondContact O-N 3Å
1453	Q	64.5	Low	69.9	Low	157 Å²	157	56.3 Å²	56.3	73%	0.734	31%	0.309	S	S	*	.	S	Bend	trans	-89.7	143.6	172.8	-67.5	-177.1	-31.1	0	0	111.2	N1451	N1451-Q1453 PolarHBondContact O-N 2.84Å
1454	E	65.1	Low	69.7	Low	100 Å²	100	57.7 Å²	57.7	47%	0.467	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-70.7	129.3	171.4	-174.5	174.3	165.4	0	0	110.9	F1429 W1458 S1459	F1429-E1454 HydrophobicContact CD2-CB 4.03Å; F1429-E1454 HydrophobicContact CD2-CG 4.15Å; F1429-E1454 HydrophobicContact CE2-CB 4.47Å; F1429-E1454 HydrophobicContact CE2-CG 4.15Å; E1454-W1458 HydrophobicContact CG-CB 3.72Å; E1454-W1458 HydrophobicContact CG-CG 4.01Å; E1454-S1459 WeakPolarHBondContact OE1-CA 3.4Å; E1454-S1459 WeakPolarHBondContact OE1-CB 3.35Å; E1454-S1459 PolarHBondContact OE1-N 2.98Å; E1454-S1459 PolarHBondContact OE1-OG 3.08Å
1455	P	70.3	Confident	69.8	Low	23 Å²	23	60.7 Å²	60.7	15%	0.149	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.1	152.8	178.6	-19.7	30.1	0	0	0	114.1	F1429 L1449 G1457 W1458 W1473	F1429-P1455 HydrophobicContact CE2-CG 4.34Å; F1429-P1455 HydrophobicContact CZ-CG 4.16Å; L1449-P1455 HydrophobicContact CD2-CG 3.55Å; L1449-P1455 HydrophobicContact CG-CG 4.46Å; P1455-G1457 PolarHBondContact O-N 3.04Å; P1455-W1458 HydrophobicContact CB-CB 4.3Å; P1455-W1458 HydrophobicContact CG-CB 4.44Å; P1455-W1458 HydrophobicContact CG-CD2 4.48Å; P1455-W1458 HydrophobicContact CG-CE3 4.09Å; P1455-W1458 WeakPolarHBondContact O-CB 3.26Å; P1455-W1458 PolarHBondContact O-N 2.99Å; P1455-W1473 HydrophobicContact CB-CH2 4.16Å; P1455-W1473 HydrophobicContact CB-CZ2 3.44Å; P1455-W1473 VanDerWaalsContact CB-CZ2 3.44Å; P1455-W1473 HydrophobicContact CG-CH2 4.34Å; P1455-W1473 HydrophobicContact CG-CZ2 4.04Å
1456	E	69.6	Low	70.1	Confident	150 Å²	150	60.9 Å²	60.9	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	123.6	173.9	-170.4	-178.1	-165.3	0	0	111.8	W1458 W1473	E1456-W1458 VanDerWaalsContact C-N 3.3Å; E1456-W1458 PolarHBondContact O-N 2.99Å; E1456-W1473 PolarHBondContact O-NE1 3.2Å
1457	G	71.1	Confident	70.8	Confident	8 Å²	8	59.7 Å²	59.7	8%	0.082	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	7.9	-179.1	0	0	0	0	0	116.4	P1455 D1460 F1461	P1455-G1457 PolarHBondContact O-N 3.04Å; G1457-D1460 PolarHBondContact O-N 2.76Å; G1457-F1461 WeakPolarHBondContact O-CD2 3.43Å; G1457-F1461 PolarHBondContact O-N 3.12Å; G1457-F1461 VanDerWaalsContact O-N 3.12Å
1458	W	78.2	Confident	71.3	Confident	19 Å²	19	60.7 Å²	60.7	7%	0.072	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-47.6	-178.9	-179	-88.5	0	0	0	112.3	F1429 P1432 L1435 L1449 E1454 P1455 E1456 N1462 A1463 F1470 W1473	F1429-W1458 AromaticContact CE2-CD1 3.74Å; F1429-W1458 AromaticContact CE2-CD2 3.77Å; F1429-W1458 HydrophobicContact CE2-CD2 3.77Å; F1429-W1458 AromaticContact CE2-CE2 3.52Å; F1429-W1458 HydrophobicContact CE2-CE3 4.47Å; F1429-W1458 AromaticContact CE2-CG 3.92Å; F1429-W1458 HydrophobicContact CE2-CG 3.92Å; F1429-W1458 HydrophobicContact CE2-CZ2 4.02Å; F1429-W1458 AromaticContact CE2-NE1 3.48Å; F1429-W1458 AromaticContact CZ-CD2 3.79Å; F1429-W1458 HydrophobicContact CZ-CD2 3.79Å; F1429-W1458 AromaticContact CZ-CE2 3.5Å; F1429-W1458 HydrophobicContact CZ-CE3 4.09Å; F1429-W1458 HydrophobicContact CZ-CG 4.42Å; F1429-W1458 AromaticContact CZ-CH2 3.9Å; F1429-W1458 HydrophobicContact CZ-CH2 3.9Å; F1429-W1458 AromaticContact CZ-CZ2 3.55Å; F1429-W1458 HydrophobicContact CZ-CZ2 3.55Å; F1429-W1458 HydrophobicContact CZ-CZ3 4.15Å; F1429-W1458 AromaticContact CZ-NE1 3.96Å; P1432-W1458 HydrophobicContact CG-CH2 3.96Å; P1432-W1458 HydrophobicContact CG-CZ2 3.58Å; L1435-W1458 HydrophobicContact CD1-CH2 4.29Å; L1449-W1458 HydrophobicContact CD2-CE3 3.97Å; L1449-W1458 HydrophobicContact CD2-CH2 3.98Å; L1449-W1458 HydrophobicContact CD2-CZ3 3.49Å; L1449-W1458 VanDerWaalsContact CD2-CZ3 3.49Å; E1454-W1458 HydrophobicContact CG-CB 3.72Å; E1454-W1458 HydrophobicContact CG-CG 4.01Å; P1455-W1458 HydrophobicContact CB-CB 4.3Å; P1455-W1458 HydrophobicContact CG-CB 4.44Å; P1455-W1458 HydrophobicContact CG-CD2 4.48Å; P1455-W1458 HydrophobicContact CG-CE3 4.09Å; P1455-W1458 WeakPolarHBondContact O-CB 3.26Å; P1455-W1458 PolarHBondContact O-N 2.99Å; E1456-W1458 VanDerWaalsContact C-N 3.3Å; E1456-W1458 PolarHBondContact O-N 2.99Å; W1458-N1462 PolarHBondContact O-N 2.84Å; W1458-N1462 VanDerWaalsContact O-N 3.17Å; W1458-A1463 HydrophobicContact CD2-CB 3.62Å; W1458-A1463 HydrophobicContact CE3-CB 3.64Å; W1458-A1463 HydrophobicContact CG-CB 4.06Å; W1458-A1463 HydrophobicContact CH2-CB 4.4Å; W1458-A1463 HydrophobicContact CZ2-CB 4.38Å; W1458-A1463 HydrophobicContact CZ3-CB 4.04Å; W1458-A1463 WeakPolarHBondContact O-CB 3.46Å; W1458-A1463 PolarHBondContact O-N 3.25Å; W1458-F1470 AromaticContact CH2-CD2 3.98Å; W1458-F1470 HydrophobicContact CH2-CD2 3.98Å; W1458-F1470 HydrophobicContact CH2-CE2 4.32Å; W1458-F1470 AromaticContact CZ3-CD2 3.79Å; W1458-F1470 HydrophobicContact CZ3-CD2 3.79Å; W1458-F1470 AromaticContact CZ3-CE2 3.99Å; W1458-F1470 HydrophobicContact CZ3-CE2 3.99Å; W1458-W1473 AromaticContact CE3-CD2 3.96Å; W1458-W1473 HydrophobicContact CE3-CD2 3.96Å; W1458-W1473 AromaticContact CE3-CE2 3.96Å; W1458-W1473 HydrophobicContact CE3-CE3 4.03Å; W1458-W1473 HydrophobicContact CE3-CH2 4.16Å; W1458-W1473 HydrophobicContact CE3-CZ2 4.11Å; W1458-W1473 HydrophobicContact CE3-CZ3 4.12Å; W1458-W1473 HydrophobicContact CZ3-CD2 4.36Å; W1458-W1473 AromaticContact CZ3-CE3 3.96Å; W1458-W1473 HydrophobicContact CZ3-CE3 3.96Å; W1458-W1473 HydrophobicContact CZ3-CH2 4.27Å; W1458-W1473 AromaticContact CZ3-CZ3 3.91Å; W1458-W1473 HydrophobicContact CZ3-CZ3 3.91Å
1459	S	75.8	Confident	72	Confident	78 Å²	78	61 Å²	61	55%	0.545	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-42	173.7	20.9	0	0	0	0	112.6	E1454 F1461 N1462	E1454-S1459 WeakPolarHBondContact OE1-CA 3.4Å; E1454-S1459 WeakPolarHBondContact OE1-CB 3.35Å; E1454-S1459 PolarHBondContact OE1-N 2.98Å; E1454-S1459 PolarHBondContact OE1-OG 3.08Å; S1459-F1461 PolarHBondContact O-N 3.2Å; S1459-N1462 WeakPolarHBondContact O-CA 3.12Å; S1459-N1462 PolarHBondContact O-N 3.42Å
1460	D	74.2	Confident	72.7	Confident	133 Å²	133	60.9 Å²	60.9	71%	0.711	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-37.6	178.5	-66.6	-43.6	0	0	0	112.7	G1457	G1457-D1460 PolarHBondContact O-N 2.76Å
1461	F	68.6	Low	73.3	Confident	53 Å²	53	57.4 Å²	57.4	23%	0.232	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.1	176	-78.9	-92.2	0	0	0	113.7	G1457 S1459 A1463 C1469 Q1472 W1473 W1476	G1457-F1461 WeakPolarHBondContact O-CD2 3.43Å; G1457-F1461 PolarHBondContact O-N 3.12Å; G1457-F1461 VanDerWaalsContact O-N 3.12Å; S1459-F1461 PolarHBondContact O-N 3.2Å; F1461-A1463 HydrophobicContact CB-CB 4.47Å; F1461-A1463 PolarHBondContact O-N 2.81Å; F1461-C1469 WeakPolarHBondContact O-CB 3.37Å; F1461-C1469 PolarHBondContact O-SG 3.37Å; F1461-C1469 VanDerWaalsContact O-SG 3.4Å; F1461-Q1472 HydrophobicContact CD1-CB 3.85Å; F1461-Q1472 HydrophobicContact CE1-CB 4.27Å; F1461-W1473 HydrophobicContact CB-CB 3.91Å; F1461-W1473 HydrophobicContact CG-CB 4.2Å; F1461-W1476 HydrophobicContact CD2-CD2 4.22Å; F1461-W1476 HydrophobicContact CD2-CE3 4.13Å; F1461-W1476 HydrophobicContact CD2-CG 4.45Å; F1461-W1476 HydrophobicContact CE1-CB 3.98Å; F1461-W1476 HydrophobicContact CE1-CG 4.19Å; F1461-W1476 HydrophobicContact CE2-CB 3.92Å; F1461-W1476 AromaticContact CE2-CD1 3.85Å; F1461-W1476 AromaticContact CE2-CD2 3.31Å; F1461-W1476 HydrophobicContact CE2-CD2 3.31Å; F1461-W1476 AromaticContact CE2-CE2 3.75Å; F1461-W1476 AromaticContact CE2-CE3 3.65Å; F1461-W1476 HydrophobicContact CE2-CE3 3.65Å; F1461-W1476 AromaticContact CE2-CG 3.42Å; F1461-W1476 HydrophobicContact CE2-CG 3.42Å; F1461-W1476 VanDerWaalsContact CE2-CG 3.42Å; F1461-W1476 HydrophobicContact CE2-CZ2 4.43Å; F1461-W1476 HydrophobicContact CE2-CZ3 4.36Å; F1461-W1476 HydrophobicContact CZ-CB 3.52Å; F1461-W1476 AromaticContact CZ-CD1 3.46Å; F1461-W1476 VanDerWaalsContact CZ-CD1 3.46Å; F1461-W1476 AromaticContact CZ-CD2 3.72Å; F1461-W1476 HydrophobicContact CZ-CD2 3.72Å; F1461-W1476 HydrophobicContact CZ-CE3 4.42Å; F1461-W1476 AromaticContact CZ-CG 3.25Å; F1461-W1476 HydrophobicContact CZ-CG 3.25Å; F1461-W1476 AromaticContact CZ-NE1 3.97Å
1462	N	80.1	Confident	74	Confident	97 Å²	97	55.7 Å²	55.7	52%	0.519	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	42.4	-168.8	-163.1	3.8	0	0	0	111.7	W1458 S1459 G1464 S1465 C1469	W1458-N1462 PolarHBondContact O-N 2.84Å; W1458-N1462 VanDerWaalsContact O-N 3.17Å; S1459-N1462 WeakPolarHBondContact O-CA 3.12Å; S1459-N1462 PolarHBondContact O-N 3.42Å; N1462-G1464 PolarHBondContact O-N 3.45Å; N1462-G1464 VanDerWaalsContact O-N 3.14Å; N1462-S1465 PolarHBondContact ND2-OG 3.44Å; N1462-S1465 WeakPolarHBondContact O-CB 3.46Å; N1462-S1465 PolarHBondContact O-N 2.78Å; N1462-S1465 PolarHBondContact O-OG 3.46Å; N1462-S1465 WeakPolarHBondContact OD1-CB 3.26Å; N1462-S1465 PolarHBondContact OD1-OG 3.33Å; N1462-C1469 WeakPolarHBondContact O-CB 3.31Å
1463	A	73.7	Confident	75.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.3	-165.9	0	0	0	0	0	113.2	W1458 F1461 W1473	W1458-A1463 HydrophobicContact CD2-CB 3.62Å; W1458-A1463 HydrophobicContact CE3-CB 3.64Å; W1458-A1463 HydrophobicContact CG-CB 4.06Å; W1458-A1463 HydrophobicContact CH2-CB 4.4Å; W1458-A1463 HydrophobicContact CZ2-CB 4.38Å; W1458-A1463 HydrophobicContact CZ3-CB 4.04Å; W1458-A1463 WeakPolarHBondContact O-CB 3.46Å; W1458-A1463 PolarHBondContact O-N 3.25Å; F1461-A1463 HydrophobicContact CB-CB 4.47Å; F1461-A1463 PolarHBondContact O-N 2.81Å; A1463-W1473 HydrophobicContact CB-CB 3.76Å; A1463-W1473 HydrophobicContact CB-CD2 4.36Å; A1463-W1473 HydrophobicContact CB-CG 3.89Å
1464	G	73.4	Confident	75.8	Confident	30 Å²	30	46.8 Å²	46.8	31%	0.309	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.7	175	0	0	0	0	0	115.7	N1462	N1462-G1464 PolarHBondContact O-N 3.45Å; N1462-G1464 VanDerWaalsContact O-N 3.14Å
1465	S	77	Confident	76.3	Confident	62 Å²	62	44.1 Å²	44.1	43%	0.434	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-31.7	-172.1	65.4	0	0	0	0	115.1	N1462	N1462-S1465 PolarHBondContact ND2-OG 3.44Å; N1462-S1465 WeakPolarHBondContact O-CB 3.46Å; N1462-S1465 PolarHBondContact O-N 2.78Å; N1462-S1465 PolarHBondContact O-OG 3.46Å; N1462-S1465 WeakPolarHBondContact OD1-CB 3.26Å; N1462-S1465 PolarHBondContact OD1-OG 3.33Å
1466	N	76.3	Confident	76.6	Confident	64 Å²	64	49 Å²	49	34%	0.342	26%	0.261	S	S	.	.			trans	-164.4	161.2	-179.6	65.7	82	0	0	0	111.6	D1468 C1469 F1470	N1466-D1468 PolarHBondContact O-N 3.46Å; N1466-D1468 WeakPolarHBondContact OD1-CA 3.21Å; N1466-D1468 WeakPolarHBondContact OD1-CB 3.43Å; N1466-D1468 PolarHBondContact OD1-N 3.46Å; N1466-D1468 VanDerWaalsContact OD1-N 3.11Å; N1466-C1469 PolarHBondContact ND2-SG 2.76Å; N1466-C1469 PolarHBondContact O-N 3.21Å; N1466-C1469 PolarHBondContact OD1-N 3.02Å; N1466-F1470 PolarHBondContact O-N 3.29Å; N1466-F1470 VanDerWaalsContact O-N 3.11Å
1467	L	79.7	Confident	76.6	Confident	16 Å²	16	42.3 Å²	42.3	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-42.7	-178.6	-175.4	64.9	0	0	0	113	F1434 C1469 F1470 I1471 L1513 H1517 L1519	F1434-L1467 HydrophobicContact CD2-CD1 3.95Å; F1434-L1467 HydrophobicContact CE2-CD1 4.11Å; L1467-C1469 VanDerWaalsContact C-N 3.27Å; L1467-C1469 PolarHBondContact O-N 3.22Å; L1467-F1470 HydrophobicContact CD1-CD1 4.26Å; L1467-F1470 PolarHBondContact O-N 3.34Å; L1467-I1471 HydrophobicContact CD1-CG1 4.31Å; L1467-I1471 HydrophobicContact CG-CG1 4.31Å; L1467-I1471 WeakPolarHBondContact O-CB 3.39Å; L1467-I1471 VanDerWaalsContact O-CG1 3.22Å; L1467-I1471 WeakPolarHBondContact O-CG1 3.13Å; L1467-I1471 PolarHBondContact O-N 3.47Å; L1467-L1513 HydrophobicContact CD1-CD2 4.14Å; L1467-H1517 HydrophobicContact CD2-CB 3.81Å; L1467-L1519 HydrophobicContact CD2-CB 3.79Å; L1467-L1519 HydrophobicContact CD2-CD1 4.23Å; L1467-L1519 HydrophobicContact CD2-CG 3.87Å; L1467-L1519 HydrophobicContact CG-CG 4.21Å
1468	D	78.6	Confident	76.3	Confident	45 Å²	45	46.6 Å²	46.6	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-35.3	179.9	-90.3	12.4	0	0	0	112.2	N1466 Q1472 S1520 Y1523	N1466-D1468 PolarHBondContact O-N 3.46Å; N1466-D1468 WeakPolarHBondContact OD1-CA 3.21Å; N1466-D1468 WeakPolarHBondContact OD1-CB 3.43Å; N1466-D1468 PolarHBondContact OD1-N 3.46Å; N1466-D1468 VanDerWaalsContact OD1-N 3.11Å; D1468-Q1472 WeakPolarHBondContact O-CG 3.36Å; D1468-Q1472 PolarHBondContact O-N 3.38Å; D1468-S1520 WeakPolarHBondContact OD1-CB 3.41Å; D1468-S1520 PolarHBondContact OD1-N 3.35Å; D1468-S1520 WeakPolarHBondContact OD2-CB 3.42Å; D1468-Y1523 HydrophobicContact CB-CE2 3.95Å; D1468-Y1523 WeakPolarHBondContact OD1-CE2 3.38Å; D1468-Y1523 VanDerWaalsContact OD2-CE2 3.31Å; D1468-Y1523 WeakPolarHBondContact OD2-CE2 3.4Å
1469	C	80.4	Confident	75.8	Confident	23 Å²	23	46.7 Å²	46.7	16%	0.155	25%	0.253	C	S	.	.	H	α-helix	trans	-71.4	-44.4	174.4	-79.5	0	0	0	0	112.3	F1461 N1462 N1466 L1467 I1471 Q1472 W1473	F1461-C1469 WeakPolarHBondContact O-CB 3.37Å; F1461-C1469 PolarHBondContact O-SG 3.37Å; F1461-C1469 VanDerWaalsContact O-SG 3.4Å; N1462-C1469 WeakPolarHBondContact O-CB 3.31Å; N1466-C1469 PolarHBondContact ND2-SG 2.76Å; N1466-C1469 PolarHBondContact O-N 3.21Å; N1466-C1469 PolarHBondContact OD1-N 3.02Å; L1467-C1469 VanDerWaalsContact C-N 3.27Å; L1467-C1469 PolarHBondContact O-N 3.22Å; C1469-I1471 VanDerWaalsContact C-N 3.29Å; C1469-I1471 PolarHBondContact O-N 3.02Å; C1469-Q1472 WeakPolarHBondContact O-CB 3.43Å; C1469-Q1472 PolarHBondContact O-N 3.15Å; C1469-W1473 PolarHBondContact O-N 3.44Å
1470	F	83.4	Confident	75.4	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-41.8	172.1	174.2	-109.8	0	0	0	112.3	F1434 L1435 W1443 L1449 W1458 N1466 L1467 W1473 L1474	F1434-F1470 HydrophobicContact CE2-CB 3.78Å; F1434-F1470 AromaticContact CE2-CD1 3.96Å; F1434-F1470 HydrophobicContact CE2-CD1 3.96Å; F1434-F1470 AromaticContact CE2-CG 3.85Å; F1434-F1470 HydrophobicContact CE2-CG 3.85Å; F1434-F1470 HydrophobicContact CZ-CB 3.75Å; F1434-F1470 HydrophobicContact CZ-CG 4.23Å; L1435-F1470 HydrophobicContact CD1-CD2 4.15Å; L1435-F1470 HydrophobicContact CD1-CE2 3.71Å; L1435-F1470 HydrophobicContact CD1-CZ 3.9Å; L1435-F1470 HydrophobicContact CD2-CE1 3.98Å; L1435-F1470 HydrophobicContact CD2-CZ 4.02Å; W1443-F1470 HydrophobicContact CH2-CE1 4.38Å; W1443-F1470 AromaticContact CH2-CZ 3.9Å; W1443-F1470 HydrophobicContact CH2-CZ 3.9Å; W1443-F1470 AromaticContact CZ3-CZ 3.99Å; W1443-F1470 HydrophobicContact CZ3-CZ 3.99Å; L1449-F1470 HydrophobicContact CD1-CE2 4.47Å; W1458-F1470 AromaticContact CH2-CD2 3.98Å; W1458-F1470 HydrophobicContact CH2-CD2 3.98Å; W1458-F1470 HydrophobicContact CH2-CE2 4.32Å; W1458-F1470 AromaticContact CZ3-CD2 3.79Å; W1458-F1470 HydrophobicContact CZ3-CD2 3.79Å; W1458-F1470 AromaticContact CZ3-CE2 3.99Å; W1458-F1470 HydrophobicContact CZ3-CE2 3.99Å; N1466-F1470 PolarHBondContact O-N 3.29Å; N1466-F1470 VanDerWaalsContact O-N 3.11Å; L1467-F1470 HydrophobicContact CD1-CD1 4.26Å; L1467-F1470 PolarHBondContact O-N 3.34Å; F1470-W1473 AromaticContact CD2-CE3 3.92Å; F1470-W1473 HydrophobicContact CD2-CE3 3.92Å; F1470-W1473 HydrophobicContact CD2-CZ3 4.25Å; F1470-W1473 AromaticContact CE2-CE3 3.91Å; F1470-W1473 HydrophobicContact CE2-CE3 3.91Å; F1470-W1473 AromaticContact CE2-CZ3 3.78Å; F1470-W1473 HydrophobicContact CE2-CZ3 3.78Å; F1470-W1473 PolarHBondContact O-N 2.69Å; F1470-L1474 HydrophobicContact CD1-CD1 4.11Å; F1470-L1474 HydrophobicContact CE1-CD1 3.53Å; F1470-L1474 HydrophobicContact CE1-CG 4.19Å; F1470-L1474 HydrophobicContact CE2-CD1 4.42Å; F1470-L1474 HydrophobicContact CE2-CD2 4.41Å; F1470-L1474 HydrophobicContact CE2-CG 4.24Å; F1470-L1474 HydrophobicContact CZ-CD1 3.71Å; F1470-L1474 HydrophobicContact CZ-CD2 4.21Å; F1470-L1474 HydrophobicContact CZ-CG 4.01Å; F1470-L1474 WeakPolarHBondContact O-CG 3.07Å; F1470-L1474 PolarHBondContact O-N 2.83Å
1471	I	78.3	Confident	74.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-38.6	175.9	-66.4	-59.9	0	0	0	111.8	L1467 C1469 L1474 F1475 F1510 L1519 Y1523	L1467-I1471 HydrophobicContact CD1-CG1 4.31Å; L1467-I1471 HydrophobicContact CG-CG1 4.31Å; L1467-I1471 WeakPolarHBondContact O-CB 3.39Å; L1467-I1471 VanDerWaalsContact O-CG1 3.22Å; L1467-I1471 WeakPolarHBondContact O-CG1 3.13Å; L1467-I1471 PolarHBondContact O-N 3.47Å; C1469-I1471 VanDerWaalsContact C-N 3.29Å; C1469-I1471 PolarHBondContact O-N 3.02Å; I1471-L1474 HydrophobicContact CD1-CD1 4.22Å; I1471-F1475 HydrophobicContact CG2-CD2 3.94Å; I1471-F1475 HydrophobicContact CG2-CE2 3.49Å; I1471-F1475 VanDerWaalsContact CG2-CE2 3.49Å; I1471-F1475 HydrophobicContact CG2-CZ 4.45Å; I1471-F1475 WeakPolarHBondContact O-CD2 3.24Å; I1471-F1475 PolarHBondContact O-N 2.94Å; I1471-F1510 HydrophobicContact CD1-CE2 3.47Å; I1471-F1510 VanDerWaalsContact CD1-CE2 3.47Å; I1471-F1510 HydrophobicContact CD1-CZ 3.47Å; I1471-F1510 VanDerWaalsContact CD1-CZ 3.47Å; I1471-L1519 HydrophobicContact CD1-CD1 3.81Å; I1471-L1519 HydrophobicContact CG1-CD1 3.84Å; I1471-L1519 HydrophobicContact CG1-CD2 4.3Å; I1471-L1519 HydrophobicContact CG1-CG 4.08Å; I1471-Y1523 HydrophobicContact CG2-CD1 3.91Å; I1471-Y1523 HydrophobicContact CG2-CD2 4.47Å; I1471-Y1523 HydrophobicContact CG2-CG 3.77Å
1472	Q	77.9	Confident	74.5	Confident	75 Å²	75	41 Å²	41	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-44.2	171.6	-76.3	-179.6	59.5	0	0	112.1	F1461 D1468 C1469 F1475 W1476 Y1523	F1461-Q1472 HydrophobicContact CD1-CB 3.85Å; F1461-Q1472 HydrophobicContact CE1-CB 4.27Å; D1468-Q1472 WeakPolarHBondContact O-CG 3.36Å; D1468-Q1472 PolarHBondContact O-N 3.38Å; C1469-Q1472 WeakPolarHBondContact O-CB 3.43Å; C1469-Q1472 PolarHBondContact O-N 3.15Å; Q1472-F1475 PolarHBondContact O-N 3.32Å; Q1472-W1476 PolarHBondContact O-N 2.95Å; Q1472-Y1523 HydrophobicContact CG-CE1 3.67Å; Q1472-Y1523 PolarHBondContact NE2-OH 3.12Å; Q1472-Y1523 VanDerWaalsContact NE2-OH 3.07Å
1473	W	83.8	Confident	73.7	Confident	2 Å²	2	37 Å²	37	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-44.1	177.3	174.1	79.5	0	0	0	112.4	L1449 P1455 E1456 W1458 F1461 A1463 C1469 F1470 F1475 W1476 T1477 I1479	L1449-W1473 HydrophobicContact CD2-CH2 4.32Å; P1455-W1473 HydrophobicContact CB-CH2 4.16Å; P1455-W1473 HydrophobicContact CB-CZ2 3.44Å; P1455-W1473 VanDerWaalsContact CB-CZ2 3.44Å; P1455-W1473 HydrophobicContact CG-CH2 4.34Å; P1455-W1473 HydrophobicContact CG-CZ2 4.04Å; E1456-W1473 PolarHBondContact O-NE1 3.2Å; W1458-W1473 AromaticContact CE3-CD2 3.96Å; W1458-W1473 HydrophobicContact CE3-CD2 3.96Å; W1458-W1473 AromaticContact CE3-CE2 3.96Å; W1458-W1473 HydrophobicContact CE3-CE3 4.03Å; W1458-W1473 HydrophobicContact CE3-CH2 4.16Å; W1458-W1473 HydrophobicContact CE3-CZ2 4.11Å; W1458-W1473 HydrophobicContact CE3-CZ3 4.12Å; W1458-W1473 HydrophobicContact CZ3-CD2 4.36Å; W1458-W1473 AromaticContact CZ3-CE3 3.96Å; W1458-W1473 HydrophobicContact CZ3-CE3 3.96Å; W1458-W1473 HydrophobicContact CZ3-CH2 4.27Å; W1458-W1473 AromaticContact CZ3-CZ3 3.91Å; W1458-W1473 HydrophobicContact CZ3-CZ3 3.91Å; F1461-W1473 HydrophobicContact CB-CB 3.91Å; F1461-W1473 HydrophobicContact CG-CB 4.2Å; A1463-W1473 HydrophobicContact CB-CB 3.76Å; A1463-W1473 HydrophobicContact CB-CD2 4.36Å; A1463-W1473 HydrophobicContact CB-CG 3.89Å; C1469-W1473 PolarHBondContact O-N 3.44Å; F1470-W1473 AromaticContact CD2-CE3 3.92Å; F1470-W1473 HydrophobicContact CD2-CE3 3.92Å; F1470-W1473 HydrophobicContact CD2-CZ3 4.25Å; F1470-W1473 AromaticContact CE2-CE3 3.91Å; F1470-W1473 HydrophobicContact CE2-CE3 3.91Å; F1470-W1473 AromaticContact CE2-CZ3 3.78Å; F1470-W1473 HydrophobicContact CE2-CZ3 3.78Å; F1470-W1473 PolarHBondContact O-N 2.69Å; W1473-F1475 VanDerWaalsContact C-N 3.3Å; W1473-F1475 PolarHBondContact O-N 3.23Å; W1473-W1476 PolarHBondContact O-N 3.4Å; W1473-T1477 HydrophobicContact CD2-CG2 4.21Å; W1473-T1477 HydrophobicContact CG-CG2 4.27Å; W1473-T1477 HydrophobicContact CZ2-CG2 4.02Å; W1473-T1477 VanDerWaalsContact NE1-CG2 3.33Å; W1473-T1477 WeakPolarHBondContact O-CB 3.22Å; W1473-T1477 WeakPolarHBondContact O-CG2 3.41Å; W1473-T1477 PolarHBondContact O-N 3.03Å; W1473-T1477 PolarHBondContact O-OG1 2.91Å; W1473-I1479 HydrophobicContact CH2-CD1 3.32Å; W1473-I1479 HydrophobicContact CZ2-CD1 3.55Å; W1473-I1479 HydrophobicContact CZ3-CD1 3.98Å
1474	L	77.2	Confident	72.8	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-59.3	-36.1	174.4	-76.6	-179.4	0	0	0	113.4	M1447 F1470 I1471 T1477 I1479	M1447-L1474 HydrophobicContact CE-CD2 3.93Å; F1470-L1474 HydrophobicContact CD1-CD1 4.11Å; F1470-L1474 HydrophobicContact CE1-CD1 3.53Å; F1470-L1474 HydrophobicContact CE1-CG 4.19Å; F1470-L1474 HydrophobicContact CE2-CD1 4.42Å; F1470-L1474 HydrophobicContact CE2-CD2 4.41Å; F1470-L1474 HydrophobicContact CE2-CG 4.24Å; F1470-L1474 HydrophobicContact CZ-CD1 3.71Å; F1470-L1474 HydrophobicContact CZ-CD2 4.21Å; F1470-L1474 HydrophobicContact CZ-CG 4.01Å; F1470-L1474 WeakPolarHBondContact O-CG 3.07Å; F1470-L1474 PolarHBondContact O-N 2.83Å; I1471-L1474 HydrophobicContact CD1-CD1 4.22Å; L1474-T1477 PolarHBondContact O-OG1 3.33Å; L1474-I1479 HydrophobicContact CD2-CB 4.21Å; L1474-I1479 HydrophobicContact CD2-CG2 3.54Å; L1474-I1479 PolarHBondContact O-N 2.8Å
1475	F	74.9	Confident	71.7	Confident	43 Å²	43	39.9 Å²	39.9	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-73.7	-42	174.2	-73.6	-57.2	0	0	0	112.5	I1471 Q1472 W1473 N1478 Y1523 K1526 L1527 C1530	I1471-F1475 HydrophobicContact CG2-CD2 3.94Å; I1471-F1475 HydrophobicContact CG2-CE2 3.49Å; I1471-F1475 VanDerWaalsContact CG2-CE2 3.49Å; I1471-F1475 HydrophobicContact CG2-CZ 4.45Å; I1471-F1475 WeakPolarHBondContact O-CD2 3.24Å; I1471-F1475 PolarHBondContact O-N 2.94Å; Q1472-F1475 PolarHBondContact O-N 3.32Å; W1473-F1475 VanDerWaalsContact C-N 3.3Å; W1473-F1475 PolarHBondContact O-N 3.23Å; F1475-N1478 PolarHBondContact O-N 3.22Å; F1475-Y1523 HydrophobicContact CE2-CD1 4.25Å; F1475-K1526 HydrophobicContact CD2-CD 4.45Å; F1475-K1526 HydrophobicContact CE1-CB 3.95Å; F1475-K1526 HydrophobicContact CE2-CB 3.9Å; F1475-K1526 HydrophobicContact CE2-CD 4.27Å; F1475-K1526 HydrophobicContact CZ-CB 3.49Å; F1475-K1526 VanDerWaalsContact CZ-CB 3.49Å; F1475-L1527 HydrophobicContact CE1-CD1 4.19Å; F1475-L1527 HydrophobicContact CZ-CB 4.04Å; F1475-L1527 HydrophobicContact CZ-CD1 3.74Å; F1475-L1527 HydrophobicContact CZ-CG 4.48Å; F1475-C1530 HydrophobicContact CE1-CB 4.13Å
1476	W	77	Confident	70.4	Confident	125 Å²	125	41.5 Å²	41.5	47%	0.473	21%	0.212	S	C	.	.	H	α-helix	trans	-68.4	-47.1	-176	175.2	82.2	0	0	0	112.7	F1461 Q1472 W1473 N1478	F1461-W1476 HydrophobicContact CD2-CD2 4.22Å; F1461-W1476 HydrophobicContact CD2-CE3 4.13Å; F1461-W1476 HydrophobicContact CD2-CG 4.45Å; F1461-W1476 HydrophobicContact CE1-CB 3.98Å; F1461-W1476 HydrophobicContact CE1-CG 4.19Å; F1461-W1476 HydrophobicContact CE2-CB 3.92Å; F1461-W1476 AromaticContact CE2-CD1 3.85Å; F1461-W1476 AromaticContact CE2-CD2 3.31Å; F1461-W1476 HydrophobicContact CE2-CD2 3.31Å; F1461-W1476 AromaticContact CE2-CE2 3.75Å; F1461-W1476 AromaticContact CE2-CE3 3.65Å; F1461-W1476 HydrophobicContact CE2-CE3 3.65Å; F1461-W1476 AromaticContact CE2-CG 3.42Å; F1461-W1476 HydrophobicContact CE2-CG 3.42Å; F1461-W1476 VanDerWaalsContact CE2-CG 3.42Å; F1461-W1476 HydrophobicContact CE2-CZ2 4.43Å; F1461-W1476 HydrophobicContact CE2-CZ3 4.36Å; F1461-W1476 HydrophobicContact CZ-CB 3.52Å; F1461-W1476 AromaticContact CZ-CD1 3.46Å; F1461-W1476 VanDerWaalsContact CZ-CD1 3.46Å; F1461-W1476 AromaticContact CZ-CD2 3.72Å; F1461-W1476 HydrophobicContact CZ-CD2 3.72Å; F1461-W1476 HydrophobicContact CZ-CE3 4.42Å; F1461-W1476 AromaticContact CZ-CG 3.25Å; F1461-W1476 HydrophobicContact CZ-CG 3.25Å; F1461-W1476 AromaticContact CZ-NE1 3.97Å; Q1472-W1476 PolarHBondContact O-N 2.95Å; W1473-W1476 PolarHBondContact O-N 3.4Å; W1476-N1478 PolarHBondContact O-N 3.13Å; W1476-N1478 PolarHBondContact O-ND2 3.31Å
1477	T	68.6	Low	68.5	Low	11 Å²	11	43.4 Å²	43.4	7%	0.067	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.3	178.6	52.3	0	0	0	0	114.3	W1473 L1474 I1479 K1482	W1473-T1477 HydrophobicContact CD2-CG2 4.21Å; W1473-T1477 HydrophobicContact CG-CG2 4.27Å; W1473-T1477 HydrophobicContact CZ2-CG2 4.02Å; W1473-T1477 VanDerWaalsContact NE1-CG2 3.33Å; W1473-T1477 WeakPolarHBondContact O-CB 3.22Å; W1473-T1477 WeakPolarHBondContact O-CG2 3.41Å; W1473-T1477 PolarHBondContact O-N 3.03Å; W1473-T1477 PolarHBondContact O-OG1 2.91Å; L1474-T1477 PolarHBondContact O-OG1 3.33Å; T1477-I1479 HydrophobicContact CG2-CD1 4.1Å; T1477-I1479 PolarHBondContact O-N 3.18Å; T1477-I1479 VanDerWaalsContact OG1-CB 3.31Å; T1477-I1479 WeakPolarHBondContact OG1-CB 3.35Å; T1477-I1479 WeakPolarHBondContact OG1-CD1 3.41Å; T1477-I1479 VanDerWaalsContact OG1-CG1 3.27Å; T1477-I1479 WeakPolarHBondContact OG1-CG1 3.47Å; T1477-I1479 PolarHBondContact OG1-N 3.31Å; T1477-K1482 VanDerWaalsContact O-CE 3.32Å; T1477-K1482 WeakPolarHBondContact O-CE 3.22Å; T1477-K1482 PolarHBondContact O-NZ 2.94Å
1478	N	66.2	Low	66.3	Low	97 Å²	97	45.6 Å²	45.6	52%	0.519	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	31.6	-166.4	-74.4	-82.8	0	0	0	113	F1475 W1476 I1480 P1481 K1482	F1475-N1478 PolarHBondContact O-N 3.22Å; W1476-N1478 PolarHBondContact O-N 3.13Å; W1476-N1478 PolarHBondContact O-ND2 3.31Å; N1478-I1480 PolarHBondContact O-N 3.43Å; N1478-P1481 WeakPolarHBondContact O-CD 3.49Å; N1478-K1482 WeakPolarHBondContact O-CG 3.31Å; N1478-K1482 PolarHBondContact O-N 3.08Å
1479	I	67.5	Low	63.8	Low	21 Å²	21	50.8 Å²	50.8	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-37.2	-175.1	-92.9	172.2	0	0	0	112.8	M1447 W1473 L1474 T1477 K1482 L1483	M1447-I1479 HydrophobicContact CE-CG2 3.21Å; M1447-I1479 HydrophobicContact SD-CG2 3.33Å; M1447-I1479 WeakPolarHBondContact SD-CG2 3.47Å; W1473-I1479 HydrophobicContact CH2-CD1 3.32Å; W1473-I1479 HydrophobicContact CZ2-CD1 3.55Å; W1473-I1479 HydrophobicContact CZ3-CD1 3.98Å; L1474-I1479 HydrophobicContact CD2-CB 4.21Å; L1474-I1479 HydrophobicContact CD2-CG2 3.54Å; L1474-I1479 PolarHBondContact O-N 2.8Å; T1477-I1479 HydrophobicContact CG2-CD1 4.1Å; T1477-I1479 PolarHBondContact O-N 3.18Å; T1477-I1479 VanDerWaalsContact OG1-CB 3.31Å; T1477-I1479 WeakPolarHBondContact OG1-CB 3.35Å; T1477-I1479 WeakPolarHBondContact OG1-CD1 3.41Å; T1477-I1479 VanDerWaalsContact OG1-CG1 3.27Å; T1477-I1479 WeakPolarHBondContact OG1-CG1 3.47Å; T1477-I1479 PolarHBondContact OG1-N 3.31Å; I1479-K1482 HydrophobicContact CG1-CD 4.43Å; I1479-K1482 PolarHBondContact O-N 3.29Å; I1479-K1482 VanDerWaalsContact O-N 3.15Å; I1479-L1483 PolarHBondContact O-N 2.75Å
1480	I	65.8	Low	61.4	Low	4 Å²	4	55 Å²	55	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-47.9	178.4	-60.3	173	0	0	0	110.9	N1478 K1482 L1483 C1484 F1506 L1527	N1478-I1480 PolarHBondContact O-N 3.43Å; I1480-K1482 PolarHBondContact O-N 2.84Å; I1480-L1483 PolarHBondContact O-N 2.81Å; I1480-C1484 PolarHBondContact O-N 3.23Å; I1480-C1484 PolarHBondContact O-SG 2.97Å; I1480-C1484 VanDerWaalsContact O-SG 3.38Å; I1480-F1506 HydrophobicContact CD1-CZ 4.25Å; I1480-F1506 HydrophobicContact CG1-CZ 4.33Å; I1480-L1527 HydrophobicContact CD1-CD1 4.01Å
1481	P	62.1	Low	58.8	Low	49 Å²	49	59 Å²	59	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-37.4	166.7	-28.8	34.8	0	0	0	115.5	N1478 C1484 S1485	N1478-P1481 WeakPolarHBondContact O-CD 3.49Å; P1481-C1484 PolarHBondContact O-N 3.16Å; P1481-S1485 WeakPolarHBondContact O-CB 3.43Å; P1481-S1485 PolarHBondContact O-N 2.93Å; P1481-S1485 PolarHBondContact O-OG 3.38Å
1482	K	63.2	Low	56.5	Low	92 Å²	92	66.8 Å²	66.8	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-46.7	177.4	-75	166.7	173.6	169.6	0	111.6	T1477 N1478 I1479 I1480 C1484 S1485 Q1486	T1477-K1482 VanDerWaalsContact O-CE 3.32Å; T1477-K1482 WeakPolarHBondContact O-CE 3.22Å; T1477-K1482 PolarHBondContact O-NZ 2.94Å; N1478-K1482 WeakPolarHBondContact O-CG 3.31Å; N1478-K1482 PolarHBondContact O-N 3.08Å; I1479-K1482 HydrophobicContact CG1-CD 4.43Å; I1479-K1482 PolarHBondContact O-N 3.29Å; I1479-K1482 VanDerWaalsContact O-N 3.15Å; I1480-K1482 PolarHBondContact O-N 2.84Å; K1482-C1484 VanDerWaalsContact C-N 3.31Å; K1482-C1484 PolarHBondContact O-N 3.42Å; K1482-S1485 PolarHBondContact O-N 3.36Å; K1482-S1485 PolarHBondContact O-OG 2.83Å; K1482-Q1486 WeakPolarHBondContact O-CG 3.28Å; K1482-Q1486 PolarHBondContact O-N 3.38Å
1483	L	62.4	Low	54.5	Low	13 Å²	13	71.9 Å²	71.9	7%	0.068	40%	0.396	C	S	.	.	H	α-helix	trans	-51.1	-52.1	171.9	-85.6	179.1	0	0	0	110.5	I1446 M1447 I1479 I1480 S1485 L1499	I1446-L1483 HydrophobicContact CB-CD2 4.11Å; I1446-L1483 HydrophobicContact CG2-CD2 3.72Å; M1447-L1483 HydrophobicContact CE-CD1 3.45Å; M1447-L1483 VanDerWaalsContact CE-CD1 3.45Å; M1447-L1483 HydrophobicContact CE-CG 4.1Å; M1447-L1483 HydrophobicContact SD-CD1 4.02Å; M1447-L1483 HydrophobicContact SD-CD2 4.15Å; M1447-L1483 HydrophobicContact SD-CG 4.03Å; I1479-L1483 PolarHBondContact O-N 2.75Å; I1480-L1483 PolarHBondContact O-N 2.81Å; L1483-S1485 PolarHBondContact O-N 3Å; L1483-S1485 VanDerWaalsContact O-N 3.08Å; L1483-L1499 WeakPolarHBondContact O-CD1 3.48Å
1484	C	54.9	Low	52.2	Low	15 Å²	15	75.4 Å²	75.4	10%	0.101	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	1.5	180	-62.9	0	0	0	0	115.1	I1480 P1481 K1482 C1534	I1480-C1484 PolarHBondContact O-N 3.23Å; I1480-C1484 PolarHBondContact O-SG 2.97Å; I1480-C1484 VanDerWaalsContact O-SG 3.38Å; P1481-C1484 PolarHBondContact O-N 3.16Å; K1482-C1484 VanDerWaalsContact C-N 3.31Å; K1482-C1484 PolarHBondContact O-N 3.42Å; C1484-C1534 HydrophobicContact CB-CB 4.47Å
1485	S	50.4	Low	50.4	Low	75 Å²	75	84.3 Å²	84.3	52%	0.524	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-6.6	-176.6	58.2	0	0	0	0	116	P1481 K1482 L1483 A1487	P1481-S1485 WeakPolarHBondContact O-CB 3.43Å; P1481-S1485 PolarHBondContact O-N 2.93Å; P1481-S1485 PolarHBondContact O-OG 3.38Å; K1482-S1485 PolarHBondContact O-N 3.36Å; K1482-S1485 PolarHBondContact O-OG 2.83Å; L1483-S1485 PolarHBondContact O-N 3Å; L1483-S1485 VanDerWaalsContact O-N 3.08Å; S1485-A1487 PolarHBondContact O-N 3.27Å
1486	Q	50.1	Low	49.2	Very low	96 Å²	96	83.2 Å²	83.2	45%	0.449	45%	0.452	S	S	.	.			trans	-72.4	109.6	172.7	-81.5	-179.6	-17.2	0	0	111.3	K1482 T1488	K1482-Q1486 WeakPolarHBondContact O-CG 3.28Å; K1482-Q1486 PolarHBondContact O-N 3.38Å; Q1486-T1488 PolarHBondContact O-N 3.07Å
1487	A	35.9	Very low	48.3	Very low	104 Å²	104	79.7 Å²	79.7	86%	0.86	45%	0.445	S	S	*	.			trans	-71.5	74.4	171.4	0	0	0	0	0	111.1	S1485	S1485-A1487 PolarHBondContact O-N 3.27Å
1488	T	33.4	Very low	47.7	Very low	63 Å²	63	82.5 Å²	82.5	39%	0.387	46%	0.455	S	S	.	.			trans	-64.2	144.5	165.3	37.9	0	0	0	0	109.8	Q1486	Q1486-T1488 PolarHBondContact O-N 3.07Å
1489	L	26.9	Very low	47.4	Very low	154 Å²	154	80.3 Å²	80.3	81%	0.806	44%	0.443	S	S	*	.			trans	-62.4	145.3	176.6	-80.1	82.6	0	0	0	109.9	C1491	L1489-C1491 PolarHBondContact O-N 2.79Å; L1489-C1491 VanDerWaalsContact O-N 3.08Å
1490	P	30.2	Very low	47.1	Very low	111 Å²	111	80 Å²	80	72%	0.721	44%	0.443	S	S	*	.			trans	-64.2	112.8	174.1	27.3	-33.3	0	0	0	109.4
1491	C	27.3	Very low	47.1	Very low	86 Å²	86	81.3 Å²	81.3	58%	0.581	45%	0.449	S	S	*	.			trans	-69	134.1	166.4	-155.2	0	0	0	0	108.2	L1489 E1493	L1489-C1491 PolarHBondContact O-N 2.79Å; L1489-C1491 VanDerWaalsContact O-N 3.08Å; C1491-E1493 VanDerWaalsContact C-N 3.34Å; C1491-E1493 PolarHBondContact O-N 2.63Å
1492	I	31.4	Very low	47.3	Very low	164 Å²	164	79.1 Å²	79.1	84%	0.841	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.3	-158.1	-64.8	177.1	0	0	0	113.1
1493	E	36.1	Very low	47.5	Very low	182 Å²	182	75.4 Å²	75.4	85%	0.85	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	3.3	-164.9	-58.3	-175.7	152.8	0	0	115.4	C1491	C1491-E1493 VanDerWaalsContact C-N 3.34Å; C1491-E1493 PolarHBondContact O-N 2.63Å
1494	D	34.1	Very low	47.9	Very low	75 Å²	75	75.9 Å²	75.9	40%	0.401	42%	0.423	S	S	.	.			trans	-123.4	133.3	-177.6	-114	-31.3	0	0	0	110.2	R1442 D1496 Q1501	R1442-D1494 IonicContact CZ-OD2 3.71Å; R1442-D1494 IonicContact NH1-OD2 3.55Å; R1442-D1494 PolarHBondContact NH1-OD2 3.39Å; R1442-D1494 VanDerWaalsContact NH1-OD2 3.12Å; R1442-D1494 IonicContact NH2-OD2 2.97Å; R1442-D1494 PolarHBondContact NH2-OD2 3.04Å; D1494-D1496 PolarHBondContact O-N 2.88Å; D1494-Q1501 PolarHBondContact OD1-NE2 3.38Å; D1494-Q1501 VanDerWaalsContact OD1-NE2 3.08Å; D1494-Q1501 PolarHBondContact OD2-NE2 3.4Å; D1494-Q1501 PolarHBondContact OD2-OE1 2.82Å; D1494-Q1501 VanDerWaalsContact OD2-OE1 3.07Å
1495	E	40.6	Very low	49.1	Very low	191 Å²	191	78.7 Å²	78.7	89%	0.893	44%	0.435	S	S	*	.	S	Bend	trans	-69.9	-27.9	-172.1	-69.5	-171.5	141.3	0	0	114.8
1496	D	49.5	Very low	50.6	Low	19 Å²	19	75.4 Å²	75.4	10%	0.102	41%	0.411	C	S	.	.	S	Bend	trans	-94.3	144.2	171.8	-70	-91.7	0	0	0	109.3	D1494 Y1498 Q1501 K1549	D1494-D1496 PolarHBondContact O-N 2.88Å; D1496-Y1498 PolarHBondContact O-N 2.9Å; D1496-Q1501 HydrophobicContact CB-CG 3.4Å; D1496-Q1501 PolarHBondContact O-OE1 2.82Å; D1496-K1549 VanDerWaalsContact OD2-CD 3.26Å; D1496-K1549 WeakPolarHBondContact OD2-CD 3.32Å; D1496-K1549 VanDerWaalsContact OD2-CE 3.23Å; D1496-K1549 WeakPolarHBondContact OD2-CE 3.35Å; D1496-K1549 IonicContact OD2-NZ 2.61Å; D1496-K1549 PolarHBondContact OD2-NZ 3.37Å
1497	P	57.4	Low	51.9	Low	51 Å²	51	70.9 Å²	70.9	33%	0.331	39%	0.39	S	S	.	.			trans	-53.2	134.2	170.9	-23.2	32.2	0	0	0	111.3	L1499 C1500 Q1501 K1546	P1497-L1499 CarbonylContact O-C 3.59Å; P1497-L1499 PolarHBondContact O-N 2.94Å; P1497-C1500 HydrophobicContact CB-CB 4.3Å; P1497-C1500 HydrophobicContact CG-CB 4.47Å; P1497-C1500 WeakPolarHBondContact O-CA 3.28Å; P1497-C1500 WeakPolarHBondContact O-CB 3.45Å; P1497-C1500 PolarHBondContact O-N 3.33Å; P1497-Q1501 PolarHBondContact O-N 2.92Å; P1497-K1546 WeakPolarHBondContact CD-O 3.31Å; P1497-K1546 HydrophobicContact CG-CB 3.78Å
1498	Y	55.9	Low	54	Low	70 Å²	70	69.3 Å²	69.3	28%	0.275	37%	0.37	S	S	.	.	H	α-helix	trans	-48.2	-35.5	179.2	-176.8	-108.5	0	0	0	113.3	I1446 D1496 T1502	I1446-Y1498 HydrophobicContact CD1-CD1 4.21Å; I1446-Y1498 HydrophobicContact CD1-CE1 3.48Å; I1446-Y1498 VanDerWaalsContact CD1-CE1 3.48Å; I1446-Y1498 HydrophobicContact CG1-CE1 4.21Å; D1496-Y1498 PolarHBondContact O-N 2.9Å; Y1498-T1502 WeakPolarHBondContact O-CB 3.32Å; Y1498-T1502 PolarHBondContact O-N 3.33Å; Y1498-T1502 PolarHBondContact O-OG1 2.83Å
1499	L	60	Low	56.3	Low	52 Å²	52	66.7 Å²	66.7	27%	0.272	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-52.9	169.8	178.7	63.7	0	0	0	113.2	L1483 P1497 T1502 I1503	L1483-L1499 WeakPolarHBondContact O-CD1 3.48Å; P1497-L1499 CarbonylContact O-C 3.59Å; P1497-L1499 PolarHBondContact O-N 2.94Å; L1499-T1502 PolarHBondContact O-N 2.84Å; L1499-I1503 HydrophobicContact CD1-CD1 3.86Å; L1499-I1503 HydrophobicContact CD1-CG1 4.5Å; L1499-I1503 HydrophobicContact CG-CD1 4.06Å; L1499-I1503 WeakPolarHBondContact O-CG1 3.42Å; L1499-I1503 PolarHBondContact O-N 2.88Å
1500	C	61.8	Low	58.9	Low	14 Å²	14	59.4 Å²	59.4	10%	0.095	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-39	179.7	-66.2	0	0	0	0	112.1	P1497 I1503 S1504 M1550	P1497-C1500 HydrophobicContact CB-CB 4.3Å; P1497-C1500 HydrophobicContact CG-CB 4.47Å; P1497-C1500 WeakPolarHBondContact O-CA 3.28Å; P1497-C1500 WeakPolarHBondContact O-CB 3.45Å; P1497-C1500 PolarHBondContact O-N 3.33Å; C1500-I1503 PolarHBondContact O-N 3.07Å; C1500-S1504 VanDerWaalsContact O-CB 3.27Å; C1500-S1504 WeakPolarHBondContact O-CB 3.47Å; C1500-S1504 PolarHBondContact O-N 3.15Å; C1500-M1550 HydrophobicContact CB-CB 4.13Å
1501	Q	65.3	Low	61.3	Low	32 Å²	32	57.6 Å²	57.6	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-43.4	172.9	-62.2	-179.4	-53.8	0	0	111.4	R1442 D1494 D1496 P1497 S1504 Q1505	R1442-Q1501 VanDerWaalsContact NH1-CD 3.31Å; D1494-Q1501 PolarHBondContact OD1-NE2 3.38Å; D1494-Q1501 VanDerWaalsContact OD1-NE2 3.08Å; D1494-Q1501 PolarHBondContact OD2-NE2 3.4Å; D1494-Q1501 PolarHBondContact OD2-OE1 2.82Å; D1494-Q1501 VanDerWaalsContact OD2-OE1 3.07Å; D1496-Q1501 HydrophobicContact CB-CG 3.4Å; D1496-Q1501 PolarHBondContact O-OE1 2.82Å; P1497-Q1501 PolarHBondContact O-N 2.92Å; Q1501-S1504 PolarHBondContact O-N 3.25Å; Q1501-Q1505 WeakPolarHBondContact O-CB 3.44Å; Q1501-Q1505 PolarHBondContact O-N 2.88Å
1502	T	66.8	Low	63.8	Low	2 Å²	2	55.9 Å²	55.9	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-68.2	-38.6	-179.9	-57.7	0	0	0	0	112.1	R1442 W1443 I1446 Y1498 L1499 Q1505 F1506	R1442-T1502 HydrophobicContact CB-CG2 4.42Å; W1443-T1502 VanDerWaalsContact CA-CG2 3.48Å; W1443-T1502 HydrophobicContact CB-CG2 3.59Å; I1446-T1502 HydrophobicContact CD1-CG2 3.78Å; I1446-T1502 HydrophobicContact CG1-CG2 4.42Å; Y1498-T1502 WeakPolarHBondContact O-CB 3.32Å; Y1498-T1502 PolarHBondContact O-N 3.33Å; Y1498-T1502 PolarHBondContact O-OG1 2.83Å; L1499-T1502 PolarHBondContact O-N 2.84Å; T1502-Q1505 PolarHBondContact O-N 2.82Å; T1502-F1506 VanDerWaalsContact O-CB 3.31Å; T1502-F1506 WeakPolarHBondContact O-CB 3.49Å; T1502-F1506 PolarHBondContact O-N 2.87Å
1503	I	67.4	Low	66	Low	15 Å²	15	48.1 Å²	48.1	8%	0.077	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-37.9	174.3	-63.7	165.2	0	0	0	110.7	L1499 C1500 F1506 C1507 M1550 V1554	L1499-I1503 HydrophobicContact CD1-CD1 3.86Å; L1499-I1503 HydrophobicContact CD1-CG1 4.5Å; L1499-I1503 HydrophobicContact CG-CD1 4.06Å; L1499-I1503 WeakPolarHBondContact O-CG1 3.42Å; L1499-I1503 PolarHBondContact O-N 2.88Å; C1500-I1503 PolarHBondContact O-N 3.07Å; I1503-F1506 PolarHBondContact O-N 3.1Å; I1503-C1507 WeakPolarHBondContact O-CB 3.38Å; I1503-C1507 PolarHBondContact O-N 3.45Å; I1503-C1507 PolarHBondContact O-SG 3.17Å; I1503-M1550 HydrophobicContact CB-CG 3.85Å; I1503-M1550 HydrophobicContact CB-SD 4.01Å; I1503-M1550 HydrophobicContact CD1-SD 3.65Å; I1503-M1550 HydrophobicContact CG1-SD 4.44Å; I1503-M1550 HydrophobicContact CG2-CG 3.54Å; I1503-M1550 HydrophobicContact CG2-SD 3.94Å; I1503-V1554 HydrophobicContact CG2-CG2 4.47Å
1504	S	71.6	Confident	68	Low	22 Å²	22	41.4 Å²	41.4	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-42.9	174.2	-168.2	0	0	0	0	112.1	C1500 Q1501 C1507 T1508 K1549	C1500-S1504 VanDerWaalsContact O-CB 3.27Å; C1500-S1504 WeakPolarHBondContact O-CB 3.47Å; C1500-S1504 PolarHBondContact O-N 3.15Å; Q1501-S1504 PolarHBondContact O-N 3.25Å; S1504-C1507 PolarHBondContact O-N 3.12Å; S1504-T1508 WeakPolarHBondContact O-CB 3.46Å; S1504-T1508 PolarHBondContact O-N 3.36Å; S1504-T1508 VanDerWaalsContact O-N 3.07Å; S1504-T1508 PolarHBondContact O-OG1 3.38Å; S1504-K1549 PolarHBondContact OG-O 2.86Å
1505	Q	78.6	Confident	69.9	Low	75 Å²	75	41.4 Å²	41.4	35%	0.35	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-49.1	172.9	-169.7	70.1	56.2	0	0	110.7	Q1501 T1502 C1507 T1508 D1509	Q1501-Q1505 WeakPolarHBondContact O-CB 3.44Å; Q1501-Q1505 PolarHBondContact O-N 2.88Å; T1502-Q1505 PolarHBondContact O-N 2.82Å; Q1505-C1507 VanDerWaalsContact C-N 3.31Å; Q1505-C1507 PolarHBondContact O-N 2.89Å; Q1505-T1508 PolarHBondContact O-N 3.43Å; Q1505-D1509 PolarHBondContact NE2-OD1 3.47Å; Q1505-D1509 WeakPolarHBondContact O-CB 3.29Å; Q1505-D1509 PolarHBondContact O-N 2.93Å
1506	F	82.1	Confident	71.7	Confident	5 Å²	5	37.4 Å²	37.4	2%	0.022	20%	0.199	C	C	.	.	H	α-helix	trans	-54.3	-45.4	176.1	170.8	-99.8	0	0	0	111.7	W1443 I1480 T1502 I1503 T1508 D1509 F1510	W1443-F1506 HydrophobicContact CB-CB 4.18Å; W1443-F1506 AromaticContact CD2-CD2 3.93Å; W1443-F1506 HydrophobicContact CD2-CD2 3.93Å; W1443-F1506 HydrophobicContact CE3-CD2 4.1Å; W1443-F1506 HydrophobicContact CG-CB 4.08Å; W1443-F1506 HydrophobicContact CG-CD2 4.21Å; I1480-F1506 HydrophobicContact CD1-CZ 4.25Å; I1480-F1506 HydrophobicContact CG1-CZ 4.33Å; T1502-F1506 VanDerWaalsContact O-CB 3.31Å; T1502-F1506 WeakPolarHBondContact O-CB 3.49Å; T1502-F1506 PolarHBondContact O-N 2.87Å; I1503-F1506 PolarHBondContact O-N 3.1Å; F1506-T1508 VanDerWaalsContact C-N 3.33Å; F1506-T1508 PolarHBondContact O-N 2.95Å; F1506-D1509 PolarHBondContact O-N 3.46Å; F1506-F1510 HydrophobicContact CE1-CD2 4.35Å; F1506-F1510 AromaticContact CE2-CD2 3.94Å; F1506-F1510 HydrophobicContact CE2-CD2 3.94Å; F1506-F1510 AromaticContact CZ-CD2 3.65Å; F1506-F1510 HydrophobicContact CZ-CD2 3.65Å; F1506-F1510 HydrophobicContact CZ-CE2 4.21Å; F1506-F1510 WeakPolarHBondContact O-CB 3.21Å; F1506-F1510 PolarHBondContact O-N 3.3Å
1507	C	77.4	Confident	72.6	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-30.1	178.1	-72.8	0	0	0	0	113.6	I1503 S1504 Q1505 K1511 A1553 V1554 L1557	I1503-C1507 WeakPolarHBondContact O-CB 3.38Å; I1503-C1507 PolarHBondContact O-N 3.45Å; I1503-C1507 PolarHBondContact O-SG 3.17Å; S1504-C1507 PolarHBondContact O-N 3.12Å; Q1505-C1507 VanDerWaalsContact C-N 3.31Å; Q1505-C1507 PolarHBondContact O-N 2.89Å; C1507-K1511 WeakPolarHBondContact O-CB 3.39Å; C1507-K1511 PolarHBondContact O-N 2.66Å; C1507-A1553 HydrophobicContact CB-CB 3.91Å; C1507-V1554 VanDerWaalsContact SG-CG2 3.54Å; C1507-L1557 HydrophobicContact CB-CB 4.41Å; C1507-L1557 HydrophobicContact CB-CD2 3.95Å
1508	T	79.4	Confident	73.1	Confident	71 Å²	71	46.5 Å²	46.5	44%	0.436	24%	0.236	S	C	.	.	H	α-helix	trans	-74.3	-41.5	176.4	-54.9	0	0	0	0	111.3	S1504 Q1505 F1506 K1511 T1512	S1504-T1508 WeakPolarHBondContact O-CB 3.46Å; S1504-T1508 PolarHBondContact O-N 3.36Å; S1504-T1508 VanDerWaalsContact O-N 3.07Å; S1504-T1508 PolarHBondContact O-OG1 3.38Å; Q1505-T1508 PolarHBondContact O-N 3.43Å; F1506-T1508 VanDerWaalsContact C-N 3.33Å; F1506-T1508 PolarHBondContact O-N 2.95Å; T1508-K1511 WeakPolarHBondContact O-CB 3.05Å; T1508-K1511 PolarHBondContact O-N 2.82Å; T1508-T1512 PolarHBondContact O-N 3.34Å; T1508-T1512 PolarHBondContact O-OG1 3.33Å
1509	D	83.4	Confident	73.8	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-38.4	176.6	-65.1	3.4	0	0	0	111.2	F1438 S1441 W1443 Q1505 F1506 K1511 T1512 L1513	F1438-D1509 HydrophobicContact CD1-CB 3.54Å; F1438-D1509 VanDerWaalsContact CD1-CG 3.42Å; F1438-D1509 HydrophobicContact CE1-CB 3.7Å; F1438-D1509 HydrophobicContact CG-CB 4.24Å; S1441-D1509 WeakPolarHBondContact CB-OD2 3.23Å; S1441-D1509 PolarHBondContact OG-OD2 3.42Å; W1443-D1509 HydrophobicContact CZ2-CB 4.49Å; W1443-D1509 PolarHBondContact NE1-OD2 3.14Å; Q1505-D1509 PolarHBondContact NE2-OD1 3.47Å; Q1505-D1509 WeakPolarHBondContact O-CB 3.29Å; Q1505-D1509 PolarHBondContact O-N 2.93Å; F1506-D1509 PolarHBondContact O-N 3.46Å; D1509-K1511 VanDerWaalsContact C-N 3.3Å; D1509-K1511 PolarHBondContact O-N 3.47Å; D1509-T1512 WeakPolarHBondContact CA-OG1 3.14Å; D1509-T1512 PolarHBondContact O-N 3.28Å; D1509-T1512 PolarHBondContact O-OG1 2.88Å; D1509-L1513 WeakPolarHBondContact O-CB 2.99Å; D1509-L1513 WeakPolarHBondContact O-CG 3.19Å; D1509-L1513 PolarHBondContact O-N 2.94Å
1510	F	80.9	Confident	74.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-33.8	173.9	-155.7	-71.5	0	0	0	111.6	I1471 F1506 T1512 L1513 F1514 L1519 L1527 L1557 F1561	I1471-F1510 HydrophobicContact CD1-CE2 3.47Å; I1471-F1510 VanDerWaalsContact CD1-CE2 3.47Å; I1471-F1510 HydrophobicContact CD1-CZ 3.47Å; I1471-F1510 VanDerWaalsContact CD1-CZ 3.47Å; F1506-F1510 HydrophobicContact CE1-CD2 4.35Å; F1506-F1510 AromaticContact CE2-CD2 3.94Å; F1506-F1510 HydrophobicContact CE2-CD2 3.94Å; F1506-F1510 AromaticContact CZ-CD2 3.65Å; F1506-F1510 HydrophobicContact CZ-CD2 3.65Å; F1506-F1510 HydrophobicContact CZ-CE2 4.21Å; F1506-F1510 WeakPolarHBondContact O-CB 3.21Å; F1506-F1510 PolarHBondContact O-N 3.3Å; F1510-T1512 VanDerWaalsContact C-N 3.32Å; F1510-T1512 PolarHBondContact O-N 2.74Å; F1510-L1513 PolarHBondContact O-N 3.23Å; F1510-F1514 VanDerWaalsContact O-CB 3.31Å; F1510-F1514 WeakPolarHBondContact O-CB 3.38Å; F1510-F1514 PolarHBondContact O-N 2.83Å; F1510-L1519 HydrophobicContact CE1-CD1 3.47Å; F1510-L1519 VanDerWaalsContact CE1-CD1 3.47Å; F1510-L1519 HydrophobicContact CZ-CD1 3.42Å; F1510-L1519 VanDerWaalsContact CZ-CD1 3.42Å; F1510-L1527 HydrophobicContact CD1-CD2 3.96Å; F1510-L1527 HydrophobicContact CE1-CD2 3.29Å; F1510-L1527 HydrophobicContact CE2-CD1 3.97Å; F1510-L1527 HydrophobicContact CE2-CD2 4.06Å; F1510-L1527 HydrophobicContact CZ-CD1 3.68Å; F1510-L1527 HydrophobicContact CZ-CD2 3.33Å; F1510-L1527 HydrophobicContact CZ-CG 4.15Å; F1510-L1557 HydrophobicContact CB-CD1 4.44Å; F1510-L1557 HydrophobicContact CB-CD2 4.38Å; F1510-L1557 HydrophobicContact CD1-CD1 4.26Å; F1510-F1561 HydrophobicContact CD1-CE1 4.03Å; F1510-F1561 AromaticContact CD1-CZ 3.65Å; F1510-F1561 HydrophobicContact CD1-CZ 3.65Å; F1510-F1561 AromaticContact CE1-CE1 3.9Å; F1510-F1561 HydrophobicContact CE1-CE1 3.9Å; F1510-F1561 AromaticContact CE1-CZ 3.61Å; F1510-F1561 HydrophobicContact CE1-CZ 3.61Å
1511	K	79.3	Confident	74.7	Confident	72 Å²	72	47.9 Å²	47.9	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-41.5	173.2	-175.4	174.9	172.6	164.9	0	111.6	C1507 T1508 D1509 F1514 T1515 T1556 L1557 T1560	C1507-K1511 WeakPolarHBondContact O-CB 3.39Å; C1507-K1511 PolarHBondContact O-N 2.66Å; T1508-K1511 WeakPolarHBondContact O-CB 3.05Å; T1508-K1511 PolarHBondContact O-N 2.82Å; D1509-K1511 VanDerWaalsContact C-N 3.3Å; D1509-K1511 PolarHBondContact O-N 3.47Å; K1511-F1514 PolarHBondContact O-N 3.42Å; K1511-T1515 PolarHBondContact O-N 2.96Å; K1511-T1515 VanDerWaalsContact O-N 3.09Å; K1511-T1515 PolarHBondContact O-OG1 3.22Å; K1511-T1556 HydrophobicContact CD-CG2 4.2Å; K1511-T1556 VanDerWaalsContact NZ-CG2 3.28Å; K1511-L1557 HydrophobicContact CB-CD1 3.91Å; K1511-T1560 HydrophobicContact CD-CG2 4.36Å; K1511-T1560 WeakPolarHBondContact CE-OG1 3.33Å; K1511-T1560 HydrophobicContact CG-CG2 3.95Å; K1511-T1560 PolarHBondContact NZ-OG1 3.47Å
1512	T	80.9	Confident	75.1	Confident	51 Å²	51	53.3 Å²	53.3	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-74.5	-41.1	176.9	35.1	0	0	0	0	112.3	F1438 T1508 D1509 F1510 F1514 T1515 D1516	F1438-T1512 VanDerWaalsContact CE1-OG1 3.25Å; F1438-T1512 WeakPolarHBondContact CE1-OG1 3.27Å; F1438-T1512 WeakPolarHBondContact CZ-OG1 3.35Å; T1508-T1512 PolarHBondContact O-N 3.34Å; T1508-T1512 PolarHBondContact O-OG1 3.33Å; D1509-T1512 WeakPolarHBondContact CA-OG1 3.14Å; D1509-T1512 PolarHBondContact O-N 3.28Å; D1509-T1512 PolarHBondContact O-OG1 2.88Å; F1510-T1512 VanDerWaalsContact C-N 3.32Å; F1510-T1512 PolarHBondContact O-N 2.74Å; T1512-F1514 PolarHBondContact O-N 3.09Å; T1512-T1515 WeakPolarHBondContact CA-OG1 3.14Å; T1512-T1515 PolarHBondContact O-N 2.75Å; T1512-T1515 PolarHBondContact O-OG1 2.8Å; T1512-T1515 VanDerWaalsContact O-OG1 3.13Å; T1512-D1516 VanDerWaalsContact O-CB 3.23Å; T1512-D1516 WeakPolarHBondContact O-CB 3.48Å; T1512-D1516 PolarHBondContact O-N 3.09Å
1513	L	78.6	Confident	75.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-52.2	-39.6	167.8	-77.1	163.2	0	0	0	112.2	F1434 L1435 F1438 L1467 D1509 F1510 H1517	F1434-L1513 HydrophobicContact CD2-CD2 4.26Å; F1434-L1513 VanDerWaalsContact O-CD2 3.23Å; F1434-L1513 WeakPolarHBondContact O-CD2 3.26Å; L1435-L1513 HydrophobicContact CD2-CD1 4.34Å; L1435-L1513 HydrophobicContact CD2-CD2 4.24Å; F1438-L1513 HydrophobicContact CD2-CD2 4.24Å; F1438-L1513 HydrophobicContact CD2-CG 4.25Å; F1438-L1513 HydrophobicContact CE2-CD1 4.24Å; F1438-L1513 HydrophobicContact CE2-CD2 3.62Å; F1438-L1513 HydrophobicContact CE2-CG 3.53Å; F1438-L1513 HydrophobicContact CZ-CD2 4.48Å; F1438-L1513 HydrophobicContact CZ-CG 3.98Å; L1467-L1513 HydrophobicContact CD1-CD2 4.14Å; D1509-L1513 WeakPolarHBondContact O-CB 2.99Å; D1509-L1513 WeakPolarHBondContact O-CG 3.19Å; D1509-L1513 PolarHBondContact O-N 2.94Å; F1510-L1513 PolarHBondContact O-N 3.23Å; L1513-H1517 WeakPolarHBondContact O-CB 3.34Å; L1513-H1517 PolarHBondContact O-N 3.11Å
1514	F	77.8	Confident	75.5	Confident	40 Å²	40	53.9 Å²	53.9	18%	0.175	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-45.6	178.4	-177	-109.4	0	0	0	113.2	F1510 K1511 T1512 Q1518 L1519 I1524 T1560 F1561	F1510-F1514 VanDerWaalsContact O-CB 3.31Å; F1510-F1514 WeakPolarHBondContact O-CB 3.38Å; F1510-F1514 PolarHBondContact O-N 2.83Å; K1511-F1514 PolarHBondContact O-N 3.42Å; T1512-F1514 PolarHBondContact O-N 3.09Å; F1514-Q1518 PolarHBondContact O-N 2.74Å; F1514-L1519 HydrophobicContact CD2-CB 3.82Å; F1514-L1519 HydrophobicContact CE2-CB 4.33Å; F1514-I1524 HydrophobicContact CE2-CD1 3.52Å; F1514-I1524 HydrophobicContact CE2-CG1 4.11Å; F1514-I1524 HydrophobicContact CZ-CD1 3.87Å; F1514-T1560 HydrophobicContact CD1-CG2 4.29Å; F1514-T1560 WeakPolarHBondContact CE1-O 3.32Å; F1514-F1561 HydrophobicContact CB-CE1 4.01Å; F1514-F1561 AromaticContact CD1-CD1 3.82Å; F1514-F1561 HydrophobicContact CD1-CD1 3.82Å; F1514-F1561 HydrophobicContact CD1-CE1 4.14Å; F1514-F1561 AromaticContact CD2-CD1 3.84Å; F1514-F1561 HydrophobicContact CD2-CD1 3.84Å; F1514-F1561 AromaticContact CD2-CE1 3.81Å; F1514-F1561 HydrophobicContact CD2-CE1 3.81Å; F1514-F1561 AromaticContact CE1-CD1 3.91Å; F1514-F1561 HydrophobicContact CE1-CD1 3.91Å; F1514-F1561 AromaticContact CE2-CD1 3.96Å; F1514-F1561 HydrophobicContact CE2-CD1 3.96Å; F1514-F1561 HydrophobicContact CE2-CE1 4.37Å; F1514-F1561 AromaticContact CG-CD1 3.78Å; F1514-F1561 HydrophobicContact CG-CD1 3.78Å; F1514-F1561 AromaticContact CG-CE1 3.7Å; F1514-F1561 HydrophobicContact CG-CE1 3.7Å; F1514-F1561 AromaticContact CZ-CD1 3.99Å; F1514-F1561 HydrophobicContact CZ-CD1 3.99Å
1515	T	74	Confident	75.4	Confident	75 Å²	75	56.4 Å²	56.4	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-36.7	179.2	50.3	0	0	0	0	112.8	K1511 T1512	K1511-T1515 PolarHBondContact O-N 2.96Å; K1511-T1515 VanDerWaalsContact O-N 3.09Å; K1511-T1515 PolarHBondContact O-OG1 3.22Å; T1512-T1515 WeakPolarHBondContact CA-OG1 3.14Å; T1512-T1515 PolarHBondContact O-N 2.75Å; T1512-T1515 PolarHBondContact O-OG1 2.8Å; T1512-T1515 VanDerWaalsContact O-OG1 3.13Å
1516	D	76.9	Confident	75.1	Confident	108 Å²	108	58.7 Å²	58.7	58%	0.578	31%	0.305	S	S	*	.	H	α-helix	trans	-95.1	-28.6	-164.1	-58.1	1.9	0	0	0	111.9	T1512	T1512-D1516 VanDerWaalsContact O-CB 3.23Å; T1512-D1516 WeakPolarHBondContact O-CB 3.48Å; T1512-D1516 PolarHBondContact O-N 3.09Å
1517	H	69	Low	74.6	Confident	90 Å²	90	58.7 Å²	58.7	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-120.6	8.3	-175.7	-63.2	-65.6	0	0	0	115.1	L1467 L1513 L1519	L1467-H1517 HydrophobicContact CD2-CB 3.81Å; L1513-H1517 WeakPolarHBondContact O-CB 3.34Å; L1513-H1517 PolarHBondContact O-N 3.11Å; H1517-L1519 PolarHBondContact O-N 3.08Å
1518	Q	67.3	Low	74.3	Confident	170 Å²	170	59.4 Å²	59.4	79%	0.794	31%	0.308	S	S	*	.			trans	46.3	62	171.5	-63	-168.7	12.1	0	0	115.2	F1514 S1520	F1514-Q1518 PolarHBondContact O-N 2.74Å; Q1518-S1520 PolarHBondContact O-N 3.15Å
1519	L	70.5	Confident	73.9	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.047	32%	0.32	C	S	.	.			trans	-52	130	177.8	-156.2	164.4	0	0	0	112.2	L1467 I1471 F1510 F1514 H1517 V1521 Y1523	L1467-L1519 HydrophobicContact CD2-CB 3.79Å; L1467-L1519 HydrophobicContact CD2-CD1 4.23Å; L1467-L1519 HydrophobicContact CD2-CG 3.87Å; L1467-L1519 HydrophobicContact CG-CG 4.21Å; I1471-L1519 HydrophobicContact CD1-CD1 3.81Å; I1471-L1519 HydrophobicContact CG1-CD1 3.84Å; I1471-L1519 HydrophobicContact CG1-CD2 4.3Å; I1471-L1519 HydrophobicContact CG1-CG 4.08Å; F1510-L1519 HydrophobicContact CE1-CD1 3.47Å; F1510-L1519 VanDerWaalsContact CE1-CD1 3.47Å; F1510-L1519 HydrophobicContact CZ-CD1 3.42Å; F1510-L1519 VanDerWaalsContact CZ-CD1 3.42Å; F1514-L1519 HydrophobicContact CD2-CB 3.82Å; F1514-L1519 HydrophobicContact CE2-CB 4.33Å; H1517-L1519 PolarHBondContact O-N 3.08Å; L1519-V1521 PolarHBondContact O-N 2.95Å; L1519-Y1523 HydrophobicContact CD2-CD2 4.1Å; L1519-Y1523 HydrophobicContact CD2-CG 4.37Å
1520	S	73	Confident	73.2	Confident	42 Å²	42	63.9 Å²	63.9	29%	0.294	33%	0.326	S	S	.	.			trans	-58.8	131.9	-173	179.3	0	0	0	0	113.5	D1468 Q1518 K1522 Y1523	D1468-S1520 WeakPolarHBondContact OD1-CB 3.41Å; D1468-S1520 PolarHBondContact OD1-N 3.35Å; D1468-S1520 WeakPolarHBondContact OD2-CB 3.42Å; Q1518-S1520 PolarHBondContact O-N 3.15Å; S1520-K1522 PolarHBondContact O-N 2.91Å; S1520-Y1523 WeakPolarHBondContact O-CD2 3.5Å; S1520-Y1523 PolarHBondContact O-N 3.26Å
1521	V	68.6	Low	72.6	Confident	114 Å²	114	64.2 Å²	64.2	69%	0.691	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.8	-178.7	-173.4	0	0	0	0	112.9	L1519 Y1523 I1524 P1525	L1519-V1521 PolarHBondContact O-N 2.95Å; V1521-Y1523 VanDerWaalsContact C-N 3.26Å; V1521-Y1523 PolarHBondContact O-N 3.47Å; V1521-I1524 HydrophobicContact CB-CD1 4.37Å; V1521-I1524 HydrophobicContact CG1-CD1 4.48Å; V1521-I1524 HydrophobicContact CG2-CD1 4.33Å; V1521-I1524 PolarHBondContact O-N 2.86Å; V1521-P1525 WeakPolarHBondContact O-CD 3.4Å
1522	K	73.6	Confident	72	Confident	147 Å²	147	61.1 Å²	61.1	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.3	173.7	-174.7	-176.4	174.2	-164.9	0	114.3	S1520	S1520-K1522 PolarHBondContact O-N 2.91Å
1523	Y	72.1	Confident	71.3	Confident	9 Å²	9	59.9 Å²	59.9	4%	0.035	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-21.7	-177.1	-53.2	-80.7	0	0	0	113.5	D1468 I1471 Q1472 F1475 L1519 S1520 V1521 K1526 L1527	D1468-Y1523 HydrophobicContact CB-CE2 3.95Å; D1468-Y1523 WeakPolarHBondContact OD1-CE2 3.38Å; D1468-Y1523 VanDerWaalsContact OD2-CE2 3.31Å; D1468-Y1523 WeakPolarHBondContact OD2-CE2 3.4Å; I1471-Y1523 HydrophobicContact CG2-CD1 3.91Å; I1471-Y1523 HydrophobicContact CG2-CD2 4.47Å; I1471-Y1523 HydrophobicContact CG2-CG 3.77Å; Q1472-Y1523 HydrophobicContact CG-CE1 3.67Å; Q1472-Y1523 PolarHBondContact NE2-OH 3.12Å; Q1472-Y1523 VanDerWaalsContact NE2-OH 3.07Å; F1475-Y1523 HydrophobicContact CE2-CD1 4.25Å; L1519-Y1523 HydrophobicContact CD2-CD2 4.1Å; L1519-Y1523 HydrophobicContact CD2-CG 4.37Å; S1520-Y1523 WeakPolarHBondContact O-CD2 3.5Å; S1520-Y1523 PolarHBondContact O-N 3.26Å; V1521-Y1523 VanDerWaalsContact C-N 3.26Å; V1521-Y1523 PolarHBondContact O-N 3.47Å; Y1523-K1526 WeakPolarHBondContact O-CA 3.2Å; Y1523-K1526 WeakPolarHBondContact O-CB 3.3Å; Y1523-K1526 PolarHBondContact O-N 3.49Å; Y1523-L1527 PolarHBondContact O-N 3.1Å
1524	I	71.4	Confident	70.7	Confident	19 Å²	19	60.7 Å²	60.7	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-51.9	-46.6	-177.8	-58.6	176.4	0	0	0	111.5	F1514 V1521 K1526 L1527 H1528 F1561 F1563	F1514-I1524 HydrophobicContact CE2-CD1 3.52Å; F1514-I1524 HydrophobicContact CE2-CG1 4.11Å; F1514-I1524 HydrophobicContact CZ-CD1 3.87Å; V1521-I1524 HydrophobicContact CB-CD1 4.37Å; V1521-I1524 HydrophobicContact CG1-CD1 4.48Å; V1521-I1524 HydrophobicContact CG2-CD1 4.33Å; V1521-I1524 PolarHBondContact O-N 2.86Å; I1524-K1526 PolarHBondContact O-N 3.35Å; I1524-L1527 PolarHBondContact O-N 3.25Å; I1524-H1528 PolarHBondContact O-N 3.03Å; I1524-F1561 HydrophobicContact CG2-CB 3.86Å; I1524-F1561 HydrophobicContact CG2-CG 4.15Å; I1524-F1563 HydrophobicContact CG2-CE2 3.44Å; I1524-F1563 VanDerWaalsContact CG2-CE2 3.44Å; I1524-F1563 HydrophobicContact CG2-CZ 3.57Å; I1524-F1563 WeakPolarHBondContact O-CZ 3.3Å
1525	P	69.5	Low	70	Confident	76 Å²	76	59.3 Å²	59.3	49%	0.494	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-29.2	175.3	-21.6	34.4	0	0	0	115	V1521 H1529	V1521-P1525 WeakPolarHBondContact O-CD 3.4Å; P1525-H1529 PolarHBondContact O-N 2.89Å; P1525-H1529 VanDerWaalsContact O-N 3.14Å
1526	K	72.3	Confident	69.5	Low	123 Å²	123	57.6 Å²	57.6	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-70.1	-39.9	174.6	-70.1	-171.4	172.5	-168.5	0	111	F1475 Y1523 I1524 H1529 C1530	F1475-K1526 HydrophobicContact CD2-CD 4.45Å; F1475-K1526 HydrophobicContact CE1-CB 3.95Å; F1475-K1526 HydrophobicContact CE2-CB 3.9Å; F1475-K1526 HydrophobicContact CE2-CD 4.27Å; F1475-K1526 HydrophobicContact CZ-CB 3.49Å; F1475-K1526 VanDerWaalsContact CZ-CB 3.49Å; Y1523-K1526 WeakPolarHBondContact O-CA 3.2Å; Y1523-K1526 WeakPolarHBondContact O-CB 3.3Å; Y1523-K1526 PolarHBondContact O-N 3.49Å; I1524-K1526 PolarHBondContact O-N 3.35Å; K1526-H1529 PolarHBondContact O-N 3.2Å; K1526-C1530 WeakPolarHBondContact O-CB 3.38Å; K1526-C1530 PolarHBondContact O-N 3.49Å
1527	L	71.5	Confident	68.8	Low	5 Å²	5	56.9 Å²	56.9	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-41.6	-179.5	-156.3	89.7	0	0	0	110.5	F1475 I1480 F1510 Y1523 I1524 C1530 L1531 F1561	F1475-L1527 HydrophobicContact CE1-CD1 4.19Å; F1475-L1527 HydrophobicContact CZ-CB 4.04Å; F1475-L1527 HydrophobicContact CZ-CD1 3.74Å; F1475-L1527 HydrophobicContact CZ-CG 4.48Å; I1480-L1527 HydrophobicContact CD1-CD1 4.01Å; F1510-L1527 HydrophobicContact CD1-CD2 3.96Å; F1510-L1527 HydrophobicContact CE1-CD2 3.29Å; F1510-L1527 HydrophobicContact CE2-CD1 3.97Å; F1510-L1527 HydrophobicContact CE2-CD2 4.06Å; F1510-L1527 HydrophobicContact CZ-CD1 3.68Å; F1510-L1527 HydrophobicContact CZ-CD2 3.33Å; F1510-L1527 HydrophobicContact CZ-CG 4.15Å; Y1523-L1527 PolarHBondContact O-N 3.1Å; I1524-L1527 PolarHBondContact O-N 3.25Å; L1527-C1530 PolarHBondContact O-N 3.33Å; L1527-L1531 HydrophobicContact CD2-CD1 3.93Å; L1527-L1531 HydrophobicContact CG-CD1 4.08Å; L1527-L1531 HydrophobicContact CG-CG 4.47Å; L1527-L1531 WeakPolarHBondContact O-CB 3.48Å; L1527-L1531 VanDerWaalsContact O-CG 3.3Å; L1527-L1531 WeakPolarHBondContact O-CG 3.15Å; L1527-L1531 PolarHBondContact O-N 3.04Å; L1527-F1561 HydrophobicContact CD2-CE1 4.39Å; L1527-F1561 HydrophobicContact CD2-CE2 3.55Å; L1527-F1561 HydrophobicContact CD2-CZ 3.34Å
1528	H	70.5	Confident	68.3	Low	16 Å²	16	54.2 Å²	54.2	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-54.2	-54.4	169.8	176	-87.1	0	0	0	112.2	I1524 C1530 L1531 T1532 F1563 D1565 D1567 T1568	I1524-H1528 PolarHBondContact O-N 3.03Å; H1528-C1530 PolarHBondContact O-N 3.5Å; H1528-L1531 PolarHBondContact O-N 3.12Å; H1528-T1532 VanDerWaalsContact O-CB 3.23Å; H1528-T1532 WeakPolarHBondContact O-CB 3.46Å; H1528-T1532 PolarHBondContact O-N 3.46Å; H1528-T1532 PolarHBondContact O-OG1 2.85Å; H1528-F1563 HydrophobicContact CB-CD1 4.35Å; H1528-F1563 HydrophobicContact CB-CD2 4.13Å; H1528-F1563 HydrophobicContact CB-CE1 3.78Å; H1528-F1563 HydrophobicContact CB-CE2 3.55Å; H1528-F1563 HydrophobicContact CB-CZ 3.34Å; H1528-F1563 AromaticContact CD2-CD1 3.39Å; H1528-F1563 WeakPolarHBondContact CD2-CD1 3.37Å; H1528-F1563 AromaticContact CD2-CD2 3.57Å; H1528-F1563 AromaticContact CD2-CE1 3.72Å; H1528-F1563 AromaticContact CD2-CE2 3.89Å; H1528-F1563 AromaticContact CD2-CG 3.32Å; H1528-F1563 WeakPolarHBondContact CD2-CG 3.47Å; H1528-F1563 AromaticContact CD2-CZ 3.96Å; H1528-F1563 AromaticContact CG-CD1 3.91Å; H1528-F1563 AromaticContact CG-CE1 3.74Å; H1528-F1563 AromaticContact CG-CZ 3.82Å; H1528-F1563 AromaticContact NE2-CD1 3.87Å; H1528-F1563 AromaticContact NE2-CG 3.92Å; H1528-D1565 IonicContact CE1-OD1 2.79Å; H1528-D1565 IonicContact CE1-OD2 2.65Å; H1528-D1565 PolarHBondContact CE1-OD2 3.08Å; H1528-D1565 IonicContact ND1-OD2 2.65Å; H1528-D1565 IonicContact NE2-OD1 2.74Å; H1528-D1565 PolarHBondContact NE2-OD1 3.49Å; H1528-D1565 IonicContact NE2-OD2 2.69Å; H1528-D1565 PolarHBondContact NE2-OD2 3.33Å; H1528-D1567 VanDerWaalsContact CE1-CB 3.47Å; H1528-D1567 WeakPolarHBondContact CE1-CB 3.4Å; H1528-D1567 IonicContact CE1-OD2 2.88Å; H1528-T1568 PolarHBondContact NE2-OG1 3.09Å
1529	H	70.1	Confident	67.9	Low	148 Å²	148	46.5 Å²	46.5	69%	0.685	25%	0.248	S	C	*	.	H	α-helix	trans	-59.6	-34.9	179.5	-168.7	68.1	0	0	0	112.5	P1525 K1526 G1533	P1525-H1529 PolarHBondContact O-N 2.89Å; P1525-H1529 VanDerWaalsContact O-N 3.14Å; K1526-H1529 PolarHBondContact O-N 3.2Å; H1529-G1533 WeakPolarHBondContact O-CA 3.35Å; H1529-G1533 PolarHBondContact O-N 3.21Å
1530	C	69.8	Low	66.9	Low	25 Å²	25	47 Å²	47	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-48.1	176	-167	0	0	0	0	112.7	F1475 K1526 L1527 H1528 G1533 C1534	F1475-C1530 HydrophobicContact CE1-CB 4.13Å; K1526-C1530 WeakPolarHBondContact O-CB 3.38Å; K1526-C1530 PolarHBondContact O-N 3.49Å; L1527-C1530 PolarHBondContact O-N 3.33Å; H1528-C1530 PolarHBondContact O-N 3.5Å; C1530-G1533 PolarHBondContact O-N 2.86Å; C1530-C1534 PolarHBondContact O-N 3.27Å; C1530-C1534 PolarHBondContact O-SG 3.02Å
1531	L	68.4	Low	65.9	Low	9 Å²	9	50.6 Å²	50.6	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-49.2	179	-71.4	168	0	0	0	111.6	L1527 H1528 G1533 C1534 I1535 V1554 L1557 F1561	L1527-L1531 HydrophobicContact CD2-CD1 3.93Å; L1527-L1531 HydrophobicContact CG-CD1 4.08Å; L1527-L1531 HydrophobicContact CG-CG 4.47Å; L1527-L1531 WeakPolarHBondContact O-CB 3.48Å; L1527-L1531 VanDerWaalsContact O-CG 3.3Å; L1527-L1531 WeakPolarHBondContact O-CG 3.15Å; L1527-L1531 PolarHBondContact O-N 3.04Å; H1528-L1531 PolarHBondContact O-N 3.12Å; L1531-G1533 VanDerWaalsContact C-N 3.33Å; L1531-G1533 PolarHBondContact O-N 3Å; L1531-C1534 WeakPolarHBondContact O-CB 3.45Å; L1531-C1534 PolarHBondContact O-N 2.99Å; L1531-C1534 VanDerWaalsContact O-N 3.15Å; L1531-I1535 PolarHBondContact O-N 3.28Å; L1531-V1554 HydrophobicContact CB-CG1 4.29Å; L1531-V1554 HydrophobicContact CD2-CG1 4.49Å; L1531-L1557 HydrophobicContact CD1-CD2 3.88Å; L1531-F1561 HydrophobicContact CD1-CE2 4.15Å
1532	T	66.8	Low	64.9	Low	7 Å²	7	47.6 Å²	47.6	4%	0.043	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-42.1	174.7	-66.1	0	0	0	0	110.9	H1528 C1534 I1535 I1536 I1571	H1528-T1532 VanDerWaalsContact O-CB 3.23Å; H1528-T1532 WeakPolarHBondContact O-CB 3.46Å; H1528-T1532 PolarHBondContact O-N 3.46Å; H1528-T1532 PolarHBondContact O-OG1 2.85Å; T1532-C1534 PolarHBondContact O-N 2.92Å; T1532-I1535 PolarHBondContact O-N 3.34Å; T1532-I1536 HydrophobicContact CG2-CD1 3.74Å; T1532-I1536 HydrophobicContact CG2-CG1 4.49Å; T1532-I1536 WeakPolarHBondContact O-CB 3.37Å; T1532-I1536 VanDerWaalsContact O-CG1 3.23Å; T1532-I1536 WeakPolarHBondContact O-CG1 3.17Å; T1532-I1536 PolarHBondContact O-N 3.48Å; T1532-I1571 HydrophobicContact CG2-CD1 4.17Å
1533	G	65.4	Low	63.3	Low	25 Å²	25	47.4 Å²	47.4	26%	0.258	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-38.5	173.1	0	0	0	0	0	113.7	H1529 C1530 L1531 N1537	H1529-G1533 WeakPolarHBondContact O-CA 3.35Å; H1529-G1533 PolarHBondContact O-N 3.21Å; C1530-G1533 PolarHBondContact O-N 2.86Å; L1531-G1533 VanDerWaalsContact C-N 3.33Å; L1531-G1533 PolarHBondContact O-N 3Å; G1533-N1537 WeakPolarHBondContact O-CB 3.24Å; G1533-N1537 PolarHBondContact O-N 3.35Å; G1533-N1537 VanDerWaalsContact O-N 3.13Å; G1533-N1537 PolarHBondContact O-ND2 3.27Å
1534	C	65.4	Low	61.9	Low	17 Å²	17	52.5 Å²	52.5	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-47.3	174	-68.2	0	0	0	0	111.4	C1484 C1530 L1531 T1532 I1536 N1537 E1538	C1484-C1534 HydrophobicContact CB-CB 4.47Å; C1530-C1534 PolarHBondContact O-N 3.27Å; C1530-C1534 PolarHBondContact O-SG 3.02Å; L1531-C1534 WeakPolarHBondContact O-CB 3.45Å; L1531-C1534 PolarHBondContact O-N 2.99Å; L1531-C1534 VanDerWaalsContact O-N 3.15Å; T1532-C1534 PolarHBondContact O-N 2.92Å; C1534-I1536 PolarHBondContact O-N 3.41Å; C1534-N1537 PolarHBondContact O-N 3.33Å; C1534-E1538 PolarHBondContact O-N 3.12Å
1535	I	63.5	Low	60.8	Low	11 Å²	11	52.8 Å²	52.8	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-49.5	176.3	-70.8	166.8	0	0	0	111	L1531 T1532 N1537 E1538 L1539 L1551 V1554 I1571	L1531-I1535 PolarHBondContact O-N 3.28Å; T1532-I1535 PolarHBondContact O-N 3.34Å; I1535-N1537 VanDerWaalsContact C-N 3.27Å; I1535-N1537 PolarHBondContact O-N 2.98Å; I1535-E1538 PolarHBondContact O-N 2.97Å; I1535-L1539 HydrophobicContact CG2-CD1 3.62Å; I1535-L1539 HydrophobicContact CG2-CG 4.1Å; I1535-L1539 VanDerWaalsContact O-CB 3.31Å; I1535-L1539 WeakPolarHBondContact O-CB 3.23Å; I1535-L1539 VanDerWaalsContact O-CG 3.24Å; I1535-L1539 WeakPolarHBondContact O-CG 3.37Å; I1535-L1539 PolarHBondContact O-N 3.06Å; I1535-L1551 HydrophobicContact CD1-CD2 4.28Å; I1535-V1554 HydrophobicContact CD1-CB 4.07Å; I1535-V1554 HydrophobicContact CD1-CG1 3.5Å; I1535-V1554 HydrophobicContact CG1-CG1 4.48Å; I1535-I1571 HydrophobicContact CD1-CD1 4.24Å; I1535-I1571 HydrophobicContact CD1-CG2 4.41Å
1536	I	64.5	Low	59.8	Low	39 Å²	39	55.3 Å²	55.3	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-36.8	-178.7	-68.4	167.1	0	0	0	111.3	T1532 C1534 G1540 I1662 Y1665	T1532-I1536 HydrophobicContact CG2-CD1 3.74Å; T1532-I1536 HydrophobicContact CG2-CG1 4.49Å; T1532-I1536 WeakPolarHBondContact O-CB 3.37Å; T1532-I1536 VanDerWaalsContact O-CG1 3.23Å; T1532-I1536 WeakPolarHBondContact O-CG1 3.17Å; T1532-I1536 PolarHBondContact O-N 3.48Å; C1534-I1536 PolarHBondContact O-N 3.41Å; I1536-G1540 PolarHBondContact O-N 3.43Å; I1536-I1662 HydrophobicContact CG2-CD1 4.49Å; I1536-I1662 HydrophobicContact CG2-CG1 3.97Å; I1536-Y1665 HydrophobicContact CD1-CD2 4.23Å; I1536-Y1665 HydrophobicContact CD1-CE1 4.39Å; I1536-Y1665 HydrophobicContact CD1-CE2 3.64Å; I1536-Y1665 HydrophobicContact CG1-CD2 4.1Å; I1536-Y1665 HydrophobicContact CG1-CE2 3.82Å
1537	N	62.2	Low	58.9	Low	94 Å²	94	49.4 Å²	49.4	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-70.2	-46.5	176.1	-78.4	-39.6	0	0	0	112.7	G1533 C1534 I1535 G1540 K1541	G1533-N1537 WeakPolarHBondContact O-CB 3.24Å; G1533-N1537 PolarHBondContact O-N 3.35Å; G1533-N1537 VanDerWaalsContact O-N 3.13Å; G1533-N1537 PolarHBondContact O-ND2 3.27Å; C1534-N1537 PolarHBondContact O-N 3.33Å; I1535-N1537 VanDerWaalsContact C-N 3.27Å; I1535-N1537 PolarHBondContact O-N 2.98Å; N1537-G1540 WeakPolarHBondContact O-CA 3.47Å; N1537-G1540 PolarHBondContact O-N 2.85Å; N1537-K1541 WeakPolarHBondContact O-CG 3.37Å; N1537-K1541 PolarHBondContact O-N 3.32Å
1538	E	58.7	Low	58.2	Low	33 Å²	33	52.9 Å²	52.9	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-36.5	179.9	-63.8	-36.6	112.2	0	0	112.8	C1534 I1535 G1540 K1541 T1542	C1534-E1538 PolarHBondContact O-N 3.12Å; I1535-E1538 PolarHBondContact O-N 2.97Å; E1538-G1540 PolarHBondContact O-N 3.3Å; E1538-K1541 PolarHBondContact O-N 2.9Å; E1538-K1541 WeakPolarHBondContact OE1-CD 3.47Å; E1538-K1541 WeakPolarHBondContact OE1-CE 3.44Å; E1538-K1541 IonicContact OE1-NZ 3.97Å; E1538-K1541 PolarHBondContact OE1-NZ 3.27Å; E1538-K1541 VanDerWaalsContact OE2-CD 3.31Å; E1538-K1541 WeakPolarHBondContact OE2-CD 3.47Å; E1538-K1541 IonicContact OE2-NZ 2.79Å; E1538-T1542 PolarHBondContact O-N 3.05Å; E1538-T1542 PolarHBondContact O-OG1 2.95Å
1539	L	57.3	Low	57.6	Low	8 Å²	8	57.1 Å²	57.1	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-29.9	168.2	-71.7	176.5	0	0	0	112.1	I1535 F1545 V1574 K1578 W1661	I1535-L1539 HydrophobicContact CG2-CD1 3.62Å; I1535-L1539 HydrophobicContact CG2-CG 4.1Å; I1535-L1539 VanDerWaalsContact O-CB 3.31Å; I1535-L1539 WeakPolarHBondContact O-CB 3.23Å; I1535-L1539 VanDerWaalsContact O-CG 3.24Å; I1535-L1539 WeakPolarHBondContact O-CG 3.37Å; I1535-L1539 PolarHBondContact O-N 3.06Å; L1539-F1545 HydrophobicContact CD2-CD2 4.27Å; L1539-F1545 HydrophobicContact CD2-CE2 4.46Å; L1539-V1574 HydrophobicContact CD1-CG1 4Å; L1539-K1578 HydrophobicContact CD2-CD 4.06Å; L1539-W1661 HydrophobicContact CB-CB 4.23Å; L1539-W1661 HydrophobicContact CB-CG 4.41Å
1540	G	50.2	Low	57.3	Low	21 Å²	21	50.9 Å²	50.9	22%	0.216	26%	0.257	C	S	.	.	H	α-helix	trans	-79.8	-28.8	177.4	0	0	0	0	0	115	I1536 N1537 E1538 N1659	I1536-G1540 PolarHBondContact O-N 3.43Å; N1537-G1540 WeakPolarHBondContact O-CA 3.47Å; N1537-G1540 PolarHBondContact O-N 2.85Å; E1538-G1540 PolarHBondContact O-N 3.3Å; G1540-N1659 PolarHBondContact O-ND2 3.14Å
1541	K	53.1	Low	57	Low	117 Å²	117	50 Å²	50	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-85.5	-40.4	-173.5	-72.9	165.5	179.9	177.4	0	114.3	N1537 E1538	N1537-K1541 WeakPolarHBondContact O-CG 3.37Å; N1537-K1541 PolarHBondContact O-N 3.32Å; E1538-K1541 PolarHBondContact O-N 2.9Å; E1538-K1541 WeakPolarHBondContact OE1-CD 3.47Å; E1538-K1541 WeakPolarHBondContact OE1-CE 3.44Å; E1538-K1541 IonicContact OE1-NZ 3.97Å; E1538-K1541 PolarHBondContact OE1-NZ 3.27Å; E1538-K1541 VanDerWaalsContact OE2-CD 3.31Å; E1538-K1541 WeakPolarHBondContact OE2-CD 3.47Å; E1538-K1541 IonicContact OE2-NZ 2.79Å
1542	T	45.8	Very low	56.8	Low	50 Å²	50	54.4 Å²	54.4	31%	0.307	27%	0.271	S	S	.	.			trans	-103.8	132.8	-164	54.8	0	0	0	0	113.4	E1538 E1544	E1538-T1542 PolarHBondContact O-N 3.05Å; E1538-T1542 PolarHBondContact O-OG1 2.95Å; T1542-E1544 WeakPolarHBondContact CB-O 3.4Å
1543	I	40.9	Very low	56.7	Low	143 Å²	143	54.7 Å²	54.7	73%	0.733	27%	0.274	S	S	*	.	S	Bend	trans	-72	-39.7	168.7	-63.8	171.1	0	0	0	109.4
1544	E	42.3	Very low	56.8	Low	116 Å²	116	53.7 Å²	53.7	54%	0.542	26%	0.263	S	S	.	.	S	Bend	trans	-104.4	114.1	177.1	-63.8	169.5	-158	0	0	110.3	T1542 K1546	T1542-E1544 WeakPolarHBondContact CB-O 3.4Å; E1544-K1546 HydrophobicContact CB-CG 4.45Å; E1544-K1546 WeakPolarHBondContact OE2-CE 3.27Å; E1544-K1546 IonicContact OE2-NZ 2.75Å; E1544-K1546 PolarHBondContact OE2-NZ 3.01Å
1545	F	49.3	Very low	56.9	Low	26 Å²	26	53 Å²	53	11%	0.114	26%	0.258	C	S	.	.			trans	-98.9	93.7	172.8	-179.6	-92	0	0	0	109.7	L1539 G1547 M1550 L1551 K1578	L1539-F1545 HydrophobicContact CD2-CD2 4.27Å; L1539-F1545 HydrophobicContact CD2-CE2 4.46Å; F1545-G1547 VanDerWaalsContact C-N 3.27Å; F1545-G1547 VanDerWaalsContact CE1-O 3.26Å; F1545-G1547 WeakPolarHBondContact CE1-O 3.17Å; F1545-G1547 WeakPolarHBondContact CZ-O 3.39Å; F1545-G1547 PolarHBondContact O-N 3.1Å; F1545-M1550 HydrophobicContact CE2-CE 3.58Å; F1545-M1550 HydrophobicContact CZ-CE 3.67Å; F1545-L1551 HydrophobicContact CE1-CB 4.19Å; F1545-L1551 HydrophobicContact CE1-CD1 3.76Å; F1545-L1551 HydrophobicContact CE1-CG 4.34Å; F1545-L1551 HydrophobicContact CE2-CD1 4.34Å; F1545-L1551 HydrophobicContact CZ-CB 4.01Å; F1545-L1551 HydrophobicContact CZ-CD1 3.53Å; F1545-L1551 HydrophobicContact CZ-CG 3.87Å; F1545-K1578 VanDerWaalsContact CB-NZ 3.27Å
1546	K	48.7	Very low	57.2	Low	128 Å²	128	54.5 Å²	54.5	56%	0.557	27%	0.268	S	S	*	.			trans	-89.8	28.9	-175.6	-70.3	175.8	166.1	162.7	0	113.7	P1497 E1544	P1497-K1546 WeakPolarHBondContact CD-O 3.31Å; P1497-K1546 HydrophobicContact CG-CB 3.78Å; E1544-K1546 HydrophobicContact CB-CG 4.45Å; E1544-K1546 WeakPolarHBondContact OE2-CE 3.27Å; E1544-K1546 IonicContact OE2-NZ 2.75Å; E1544-K1546 PolarHBondContact OE2-NZ 3.01Å
1547	G	52.7	Low	57.7	Low	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.			trans	-126	49.2	-166	0	0	0	0	0	114.9	F1545 M1550 L1551	F1545-G1547 VanDerWaalsContact C-N 3.27Å; F1545-G1547 VanDerWaalsContact CE1-O 3.26Å; F1545-G1547 WeakPolarHBondContact CE1-O 3.17Å; F1545-G1547 WeakPolarHBondContact CZ-O 3.39Å; F1545-G1547 PolarHBondContact O-N 3.1Å; G1547-M1550 WeakPolarHBondContact O-CB 3.2Å; G1547-M1550 PolarHBondContact O-N 2.91Å; G1547-L1551 PolarHBondContact O-N 3.34Å
1548	W	57.4	Low	58.2	Low	78 Å²	78	48.2 Å²	48.2	30%	0.295	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-49.3	179.3	-70.9	112	0	0	0	112.4	M1550 L1551 E1552 L1575 V1579 Y1590	W1548-M1550 PolarHBondContact O-N 2.89Å; W1548-L1551 PolarHBondContact O-N 3.33Å; W1548-L1551 VanDerWaalsContact O-N 3.12Å; W1548-E1552 PolarHBondContact O-N 3.38Å; W1548-L1575 HydrophobicContact CE3-CD2 3.98Å; W1548-L1575 HydrophobicContact CZ3-CD2 3.5Å; W1548-L1575 VanDerWaalsContact CZ3-CD2 3.5Å; W1548-V1579 HydrophobicContact CH2-CB 4.3Å; W1548-V1579 HydrophobicContact CH2-CG2 3.22Å; W1548-V1579 HydrophobicContact CZ2-CG2 4Å; W1548-V1579 HydrophobicContact CZ3-CG2 3.56Å; W1548-Y1590 PolarHBondContact NE1-OH 3.19Å
1549	K	58.2	Low	58.8	Low	104 Å²	104	48.2 Å²	48.2	45%	0.452	24%	0.236	S	C	.	.	H	α-helix	trans	-61	-31.6	176	-61.1	-179	-165.9	156	0	112.6	D1496 S1504 A1553	D1496-K1549 VanDerWaalsContact OD2-CD 3.26Å; D1496-K1549 WeakPolarHBondContact OD2-CD 3.32Å; D1496-K1549 VanDerWaalsContact OD2-CE 3.23Å; D1496-K1549 WeakPolarHBondContact OD2-CE 3.35Å; D1496-K1549 IonicContact OD2-NZ 2.61Å; D1496-K1549 PolarHBondContact OD2-NZ 3.37Å; S1504-K1549 PolarHBondContact OG-O 2.86Å; K1549-A1553 WeakPolarHBondContact O-CB 3.3Å; K1549-A1553 PolarHBondContact O-N 3.35Å
1550	M	63.1	Low	59.6	Low	17 Å²	17	49.9 Å²	49.9	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-47.1	174	-174.1	-173.3	77.5	0	0	111.6	C1500 I1503 F1545 G1547 W1548 A1553 V1554	C1500-M1550 HydrophobicContact CB-CB 4.13Å; I1503-M1550 HydrophobicContact CB-CG 3.85Å; I1503-M1550 HydrophobicContact CB-SD 4.01Å; I1503-M1550 HydrophobicContact CD1-SD 3.65Å; I1503-M1550 HydrophobicContact CG1-SD 4.44Å; I1503-M1550 HydrophobicContact CG2-CG 3.54Å; I1503-M1550 HydrophobicContact CG2-SD 3.94Å; F1545-M1550 HydrophobicContact CE2-CE 3.58Å; F1545-M1550 HydrophobicContact CZ-CE 3.67Å; G1547-M1550 WeakPolarHBondContact O-CB 3.2Å; G1547-M1550 PolarHBondContact O-N 2.91Å; W1548-M1550 PolarHBondContact O-N 2.89Å; M1550-A1553 PolarHBondContact O-N 3.42Å; M1550-V1554 VanDerWaalsContact O-CG2 3.3Å; M1550-V1554 WeakPolarHBondContact O-CG2 3.41Å; M1550-V1554 PolarHBondContact O-N 2.79Å
1551	L	62.8	Low	60.6	Low	7 Å²	7	50 Å²	50	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-38.8	-179.4	-122.5	172.6	0	0	0	111.8	I1535 F1545 G1547 W1548 A1553 V1554 T1555 I1571 L1575	I1535-L1551 HydrophobicContact CD1-CD2 4.28Å; F1545-L1551 HydrophobicContact CE1-CB 4.19Å; F1545-L1551 HydrophobicContact CE1-CD1 3.76Å; F1545-L1551 HydrophobicContact CE1-CG 4.34Å; F1545-L1551 HydrophobicContact CE2-CD1 4.34Å; F1545-L1551 HydrophobicContact CZ-CB 4.01Å; F1545-L1551 HydrophobicContact CZ-CD1 3.53Å; F1545-L1551 HydrophobicContact CZ-CG 3.87Å; G1547-L1551 PolarHBondContact O-N 3.34Å; W1548-L1551 PolarHBondContact O-N 3.33Å; W1548-L1551 VanDerWaalsContact O-N 3.12Å; L1551-A1553 VanDerWaalsContact C-N 3.34Å; L1551-A1553 PolarHBondContact O-N 3.42Å; L1551-V1554 PolarHBondContact O-N 2.92Å; L1551-T1555 WeakPolarHBondContact O-CB 3.41Å; L1551-T1555 PolarHBondContact O-N 3.48Å; L1551-T1555 PolarHBondContact O-OG1 3.17Å; L1551-I1571 HydrophobicContact CD2-CG2 3.66Å; L1551-L1575 HydrophobicContact CB-CD2 4.09Å; L1551-L1575 HydrophobicContact CD1-CD2 3.71Å; L1551-L1575 HydrophobicContact CD1-CG 3.9Å; L1551-L1575 HydrophobicContact CD2-CD1 4Å; L1551-L1575 HydrophobicContact CD2-CD2 4.47Å; L1551-L1575 HydrophobicContact CD2-CG 4.09Å; L1551-L1575 HydrophobicContact CG-CD2 4.29Å; L1551-L1575 HydrophobicContact CG-CG 4.41Å
1552	E	64.2	Low	61.1	Low	101 Å²	101	46.2 Å²	46.2	47%	0.472	24%	0.235	S	C	.	.	H	α-helix	trans	-57.1	-45.8	171.6	-177.7	178.5	-168.4	0	0	111.6	W1548 T1556 Y1602	W1548-E1552 PolarHBondContact O-N 3.38Å; E1552-T1556 WeakPolarHBondContact O-CB 3.25Å; E1552-T1556 PolarHBondContact O-N 3.21Å; E1552-T1556 PolarHBondContact O-OG1 3.15Å; E1552-Y1602 HydrophobicContact CG-CE2 3.9Å
1553	A	65.5	Low	62.1	Low	13 Å²	13	45.3 Å²	45.3	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-42.2	178.6	0	0	0	0	0	112.6	C1507 K1549 M1550 L1551 T1556 L1557	C1507-A1553 HydrophobicContact CB-CB 3.91Å; K1549-A1553 WeakPolarHBondContact O-CB 3.3Å; K1549-A1553 PolarHBondContact O-N 3.35Å; M1550-A1553 PolarHBondContact O-N 3.42Å; L1551-A1553 VanDerWaalsContact C-N 3.34Å; L1551-A1553 PolarHBondContact O-N 3.42Å; A1553-T1556 PolarHBondContact O-N 3.15Å; A1553-L1557 WeakPolarHBondContact O-CB 3.11Å; A1553-L1557 PolarHBondContact O-N 3.38Å
1554	V	67.5	Low	63.2	Low	5 Å²	5	43.8 Å²	43.8	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-43.4	176.8	-175.7	0	0	0	0	111.3	I1503 C1507 L1531 I1535 M1550 L1551 T1556 L1557 L1558	I1503-V1554 HydrophobicContact CG2-CG2 4.47Å; C1507-V1554 VanDerWaalsContact SG-CG2 3.54Å; L1531-V1554 HydrophobicContact CB-CG1 4.29Å; L1531-V1554 HydrophobicContact CD2-CG1 4.49Å; I1535-V1554 HydrophobicContact CD1-CB 4.07Å; I1535-V1554 HydrophobicContact CD1-CG1 3.5Å; I1535-V1554 HydrophobicContact CG1-CG1 4.48Å; M1550-V1554 VanDerWaalsContact O-CG2 3.3Å; M1550-V1554 WeakPolarHBondContact O-CG2 3.41Å; M1550-V1554 PolarHBondContact O-N 2.79Å; L1551-V1554 PolarHBondContact O-N 2.92Å; V1554-T1556 VanDerWaalsContact C-N 3.32Å; V1554-T1556 PolarHBondContact O-N 3.37Å; V1554-L1557 WeakPolarHBondContact O-CB 3.47Å; V1554-L1557 PolarHBondContact O-N 2.88Å; V1554-L1557 VanDerWaalsContact O-N 3.12Å; V1554-L1558 HydrophobicContact CG1-CD1 3.97Å; V1554-L1558 HydrophobicContact CG1-CG 4.15Å; V1554-L1558 VanDerWaalsContact O-CG 3.27Å; V1554-L1558 WeakPolarHBondContact O-CG 3.43Å; V1554-L1558 PolarHBondContact O-N 2.88Å
1555	T	67	Low	64.3	Low	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-44.5	174.2	-69.5	0	0	0	0	111.2	L1551 L1557 L1558 I1559 L1572 Y1602	L1551-T1555 WeakPolarHBondContact O-CB 3.41Å; L1551-T1555 PolarHBondContact O-N 3.48Å; L1551-T1555 PolarHBondContact O-OG1 3.17Å; T1555-L1557 VanDerWaalsContact C-N 3.3Å; T1555-L1557 PolarHBondContact O-N 3.48Å; T1555-L1558 PolarHBondContact O-N 3.29Å; T1555-I1559 HydrophobicContact CG2-CD1 3.89Å; T1555-I1559 VanDerWaalsContact O-CG1 3.3Å; T1555-I1559 WeakPolarHBondContact O-CG1 3.49Å; T1555-I1559 PolarHBondContact O-N 2.91Å; T1555-L1572 HydrophobicContact CG2-CD1 4.35Å; T1555-L1572 HydrophobicContact CG2-CD2 3.74Å; T1555-L1572 HydrophobicContact CG2-CG 3.94Å; T1555-Y1602 HydrophobicContact CG2-CE1 4.43Å
1556	T	69.7	Low	65.1	Low	43 Å²	43	41.4 Å²	41.4	26%	0.264	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-38.3	174.5	-61.8	0	0	0	0	112.3	K1511 E1552 A1553 V1554 T1560	K1511-T1556 HydrophobicContact CD-CG2 4.2Å; K1511-T1556 VanDerWaalsContact NZ-CG2 3.28Å; E1552-T1556 WeakPolarHBondContact O-CB 3.25Å; E1552-T1556 PolarHBondContact O-N 3.21Å; E1552-T1556 PolarHBondContact O-OG1 3.15Å; A1553-T1556 PolarHBondContact O-N 3.15Å; V1554-T1556 VanDerWaalsContact C-N 3.32Å; V1554-T1556 PolarHBondContact O-N 3.37Å; T1556-T1560 WeakPolarHBondContact O-CB 3.48Å; T1556-T1560 PolarHBondContact O-N 3.43Å; T1556-T1560 PolarHBondContact O-OG1 3.15Å
1557	L	74.9	Confident	65.8	Low	1 Å²	1	38 Å²	38	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-69.2	-45.8	177.4	-177.7	64.4	0	0	0	111.8	C1507 F1510 K1511 L1531 A1553 V1554 T1555 I1559 T1560 F1561	C1507-L1557 HydrophobicContact CB-CB 4.41Å; C1507-L1557 HydrophobicContact CB-CD2 3.95Å; F1510-L1557 HydrophobicContact CB-CD1 4.44Å; F1510-L1557 HydrophobicContact CB-CD2 4.38Å; F1510-L1557 HydrophobicContact CD1-CD1 4.26Å; K1511-L1557 HydrophobicContact CB-CD1 3.91Å; L1531-L1557 HydrophobicContact CD1-CD2 3.88Å; A1553-L1557 WeakPolarHBondContact O-CB 3.11Å; A1553-L1557 PolarHBondContact O-N 3.38Å; V1554-L1557 WeakPolarHBondContact O-CB 3.47Å; V1554-L1557 PolarHBondContact O-N 2.88Å; V1554-L1557 VanDerWaalsContact O-N 3.12Å; T1555-L1557 VanDerWaalsContact C-N 3.3Å; T1555-L1557 PolarHBondContact O-N 3.48Å; L1557-I1559 PolarHBondContact O-N 2.95Å; L1557-T1560 PolarHBondContact O-N 3.19Å; L1557-F1561 HydrophobicContact CD1-CE1 3.89Å; L1557-F1561 HydrophobicContact CD1-CE2 3.88Å; L1557-F1561 HydrophobicContact CD1-CZ 3.43Å; L1557-F1561 VanDerWaalsContact CD1-CZ 3.43Å; L1557-F1561 HydrophobicContact CD2-CE2 3.98Å; L1557-F1561 HydrophobicContact CD2-CZ 3.99Å; L1557-F1561 HydrophobicContact CG-CD2 4.27Å; L1557-F1561 HydrophobicContact CG-CE1 4.42Å; L1557-F1561 HydrophobicContact CG-CE2 3.48Å; L1557-F1561 VanDerWaalsContact CG-CE2 3.48Å; L1557-F1561 HydrophobicContact CG-CZ 3.56Å; L1557-F1561 WeakPolarHBondContact O-CD2 3.27Å; L1557-F1561 WeakPolarHBondContact O-CG 3.22Å; L1557-F1561 PolarHBondContact O-N 3.41Å
1558	L	73.3	Confident	66.4	Low	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-44.3	176.2	-67.5	167.8	0	0	0	111.7	V1554 T1555 T1560 F1561 F1563 T1568 I1571	V1554-L1558 HydrophobicContact CG1-CD1 3.97Å; V1554-L1558 HydrophobicContact CG1-CG 4.15Å; V1554-L1558 VanDerWaalsContact O-CG 3.27Å; V1554-L1558 WeakPolarHBondContact O-CG 3.43Å; V1554-L1558 PolarHBondContact O-N 2.88Å; T1555-L1558 PolarHBondContact O-N 3.29Å; L1558-T1560 VanDerWaalsContact C-N 3.34Å; L1558-T1560 PolarHBondContact O-N 3.03Å; L1558-F1561 PolarHBondContact O-N 3.25Å; L1558-F1563 HydrophobicContact CD2-CD2 4.46Å; L1558-F1563 PolarHBondContact O-N 3.09Å; L1558-F1563 VanDerWaalsContact O-N 3.14Å; L1558-T1568 HydrophobicContact CB-CG2 4.08Å; L1558-T1568 HydrophobicContact CD1-CG2 4.46Å; L1558-I1571 HydrophobicContact CD1-CD1 4.22Å
1559	I	71.3	Confident	66.8	Low	34 Å²	34	34.5 Å²	34.5	17%	0.174	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-41.2	173.1	-67.5	167.3	0	0	0	110.8	T1555 L1557 F1561 G1562 L1610	T1555-I1559 HydrophobicContact CG2-CD1 3.89Å; T1555-I1559 VanDerWaalsContact O-CG1 3.3Å; T1555-I1559 WeakPolarHBondContact O-CG1 3.49Å; T1555-I1559 PolarHBondContact O-N 2.91Å; L1557-I1559 PolarHBondContact O-N 2.95Å; I1559-F1561 VanDerWaalsContact C-N 3.31Å; I1559-F1561 PolarHBondContact O-N 3.42Å; I1559-G1562 PolarHBondContact O-N 3.39Å; I1559-L1610 HydrophobicContact CG1-CD2 4.06Å; I1559-L1610 HydrophobicContact CG1-CG 4.25Å
1560	T	72.8	Confident	67.3	Low	43 Å²	43	29.6 Å²	29.6	26%	0.264	16%	0.162	S	C	.	.	H	α-helix	trans	-67.7	-28.8	-179	-51.7	0	0	0	0	112.9	K1511 F1514 T1556 L1557 L1558 G1562	K1511-T1560 HydrophobicContact CD-CG2 4.36Å; K1511-T1560 WeakPolarHBondContact CE-OG1 3.33Å; K1511-T1560 HydrophobicContact CG-CG2 3.95Å; K1511-T1560 PolarHBondContact NZ-OG1 3.47Å; F1514-T1560 HydrophobicContact CD1-CG2 4.29Å; F1514-T1560 WeakPolarHBondContact CE1-O 3.32Å; T1556-T1560 WeakPolarHBondContact O-CB 3.48Å; T1556-T1560 PolarHBondContact O-N 3.43Å; T1556-T1560 PolarHBondContact O-OG1 3.15Å; L1557-T1560 PolarHBondContact O-N 3.19Å; L1558-T1560 VanDerWaalsContact C-N 3.34Å; L1558-T1560 PolarHBondContact O-N 3.03Å; T1560-G1562 PolarHBondContact O-N 3.42Å
1561	F	71.8	Confident	67.5	Low	22 Å²	22	29 Å²	29	10%	0.096	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.4	171	-62.1	-41.2	0	0	0	114.3	F1510 F1514 I1524 L1527 L1531 L1557 L1558 I1559 F1563	F1510-F1561 HydrophobicContact CD1-CE1 4.03Å; F1510-F1561 AromaticContact CD1-CZ 3.65Å; F1510-F1561 HydrophobicContact CD1-CZ 3.65Å; F1510-F1561 AromaticContact CE1-CE1 3.9Å; F1510-F1561 HydrophobicContact CE1-CE1 3.9Å; F1510-F1561 AromaticContact CE1-CZ 3.61Å; F1510-F1561 HydrophobicContact CE1-CZ 3.61Å; F1514-F1561 HydrophobicContact CB-CE1 4.01Å; F1514-F1561 AromaticContact CD1-CD1 3.82Å; F1514-F1561 HydrophobicContact CD1-CD1 3.82Å; F1514-F1561 HydrophobicContact CD1-CE1 4.14Å; F1514-F1561 AromaticContact CD2-CD1 3.84Å; F1514-F1561 HydrophobicContact CD2-CD1 3.84Å; F1514-F1561 AromaticContact CD2-CE1 3.81Å; F1514-F1561 HydrophobicContact CD2-CE1 3.81Å; F1514-F1561 AromaticContact CE1-CD1 3.91Å; F1514-F1561 HydrophobicContact CE1-CD1 3.91Å; F1514-F1561 AromaticContact CE2-CD1 3.96Å; F1514-F1561 HydrophobicContact CE2-CD1 3.96Å; F1514-F1561 HydrophobicContact CE2-CE1 4.37Å; F1514-F1561 AromaticContact CG-CD1 3.78Å; F1514-F1561 HydrophobicContact CG-CD1 3.78Å; F1514-F1561 AromaticContact CG-CE1 3.7Å; F1514-F1561 HydrophobicContact CG-CE1 3.7Å; F1514-F1561 AromaticContact CZ-CD1 3.99Å; F1514-F1561 HydrophobicContact CZ-CD1 3.99Å; I1524-F1561 HydrophobicContact CG2-CB 3.86Å; I1524-F1561 HydrophobicContact CG2-CG 4.15Å; L1527-F1561 HydrophobicContact CD2-CE1 4.39Å; L1527-F1561 HydrophobicContact CD2-CE2 3.55Å; L1527-F1561 HydrophobicContact CD2-CZ 3.34Å; L1531-F1561 HydrophobicContact CD1-CE2 4.15Å; L1557-F1561 HydrophobicContact CD1-CE1 3.89Å; L1557-F1561 HydrophobicContact CD1-CE2 3.88Å; L1557-F1561 HydrophobicContact CD1-CZ 3.43Å; L1557-F1561 VanDerWaalsContact CD1-CZ 3.43Å; L1557-F1561 HydrophobicContact CD2-CE2 3.98Å; L1557-F1561 HydrophobicContact CD2-CZ 3.99Å; L1557-F1561 HydrophobicContact CG-CD2 4.27Å; L1557-F1561 HydrophobicContact CG-CE1 4.42Å; L1557-F1561 HydrophobicContact CG-CE2 3.48Å; L1557-F1561 VanDerWaalsContact CG-CE2 3.48Å; L1557-F1561 HydrophobicContact CG-CZ 3.56Å; L1557-F1561 WeakPolarHBondContact O-CD2 3.27Å; L1557-F1561 WeakPolarHBondContact O-CG 3.22Å; L1557-F1561 PolarHBondContact O-N 3.41Å; L1558-F1561 PolarHBondContact O-N 3.25Å; I1559-F1561 VanDerWaalsContact C-N 3.31Å; I1559-F1561 PolarHBondContact O-N 3.42Å; F1561-F1563 HydrophobicContact CB-CD2 3.58Å; F1561-F1563 HydrophobicContact CB-CE2 3.62Å; F1561-F1563 HydrophobicContact CD2-CD2 4.13Å; F1561-F1563 AromaticContact CD2-CE2 3.99Å; F1561-F1563 HydrophobicContact CD2-CE2 3.99Å; F1561-F1563 HydrophobicContact CG-CD2 4.37Å; F1561-F1563 HydrophobicContact CG-CE2 4.19Å
1562	G	64.9	Low	67.6	Low	39 Å²	39	28.9 Å²	28.9	40%	0.402	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	31.1	-175	0	0	0	0	0	114.2	I1559 T1560 H1564	I1559-G1562 PolarHBondContact O-N 3.39Å; T1560-G1562 PolarHBondContact O-N 3.42Å; G1562-H1564 PolarHBondContact O-CD2 3.02Å; G1562-H1564 PolarHBondContact O-N 3.45Å
1563	F	67	Low	67.8	Low	31 Å²	31	24.3 Å²	24.3	14%	0.136	14%	0.138	C	C	.	.			trans	-80	98.4	171.2	-74	-74.6	0	0	0	111.7	I1524 H1528 L1558 F1561 D1565 L1610	I1524-F1563 HydrophobicContact CG2-CE2 3.44Å; I1524-F1563 VanDerWaalsContact CG2-CE2 3.44Å; I1524-F1563 HydrophobicContact CG2-CZ 3.57Å; I1524-F1563 WeakPolarHBondContact O-CZ 3.3Å; H1528-F1563 HydrophobicContact CB-CD1 4.35Å; H1528-F1563 HydrophobicContact CB-CD2 4.13Å; H1528-F1563 HydrophobicContact CB-CE1 3.78Å; H1528-F1563 HydrophobicContact CB-CE2 3.55Å; H1528-F1563 HydrophobicContact CB-CZ 3.34Å; H1528-F1563 AromaticContact CD2-CD1 3.39Å; H1528-F1563 WeakPolarHBondContact CD2-CD1 3.37Å; H1528-F1563 AromaticContact CD2-CD2 3.57Å; H1528-F1563 AromaticContact CD2-CE1 3.72Å; H1528-F1563 AromaticContact CD2-CE2 3.89Å; H1528-F1563 AromaticContact CD2-CG 3.32Å; H1528-F1563 WeakPolarHBondContact CD2-CG 3.47Å; H1528-F1563 AromaticContact CD2-CZ 3.96Å; H1528-F1563 AromaticContact CG-CD1 3.91Å; H1528-F1563 AromaticContact CG-CE1 3.74Å; H1528-F1563 AromaticContact CG-CZ 3.82Å; H1528-F1563 AromaticContact NE2-CD1 3.87Å; H1528-F1563 AromaticContact NE2-CG 3.92Å; L1558-F1563 HydrophobicContact CD2-CD2 4.46Å; L1558-F1563 PolarHBondContact O-N 3.09Å; L1558-F1563 VanDerWaalsContact O-N 3.14Å; F1561-F1563 HydrophobicContact CB-CD2 3.58Å; F1561-F1563 HydrophobicContact CB-CE2 3.62Å; F1561-F1563 HydrophobicContact CD2-CD2 4.13Å; F1561-F1563 AromaticContact CD2-CE2 3.99Å; F1561-F1563 HydrophobicContact CD2-CE2 3.99Å; F1561-F1563 HydrophobicContact CG-CD2 4.37Å; F1561-F1563 HydrophobicContact CG-CE2 4.19Å; F1563-D1565 VanDerWaalsContact C-N 3.32Å; F1563-L1610 WeakPolarHBondContact O-CD2 3.26Å
1564	H	62.9	Low	67.9	Low	110 Å²	110	24 Å²	24	51%	0.509	13%	0.134	S	C	.	.			trans	-95.7	24.8	171.7	-55.1	-90.5	0	0	0	112.3	G1562 L1610	G1562-H1564 PolarHBondContact O-CD2 3.02Å; G1562-H1564 PolarHBondContact O-N 3.45Å; H1564-L1610 WeakPolarHBondContact ND1-CA 3.28Å; H1564-L1610 PolarHBondContact ND1-O 3.35Å
1565	D	65.4	Low	67.6	Low	47 Å²	47	24.4 Å²	24.4	25%	0.251	14%	0.136	S	C	.	.	S	Bend	trans	-85.9	163.5	-173.6	71	0.6	0	0	0	113.7	H1528 F1563 D1567 T1568 V1569	H1528-D1565 IonicContact CE1-OD1 2.79Å; H1528-D1565 IonicContact CE1-OD2 2.65Å; H1528-D1565 PolarHBondContact CE1-OD2 3.08Å; H1528-D1565 IonicContact ND1-OD2 2.65Å; H1528-D1565 IonicContact NE2-OD1 2.74Å; H1528-D1565 PolarHBondContact NE2-OD1 3.49Å; H1528-D1565 IonicContact NE2-OD2 2.69Å; H1528-D1565 PolarHBondContact NE2-OD2 3.33Å; F1563-D1565 VanDerWaalsContact C-N 3.32Å; D1565-D1567 PolarHBondContact O-N 2.98Å; D1565-T1568 PolarHBondContact O-N 2.91Å; D1565-T1568 VanDerWaalsContact OD1-CB 3.24Å; D1565-T1568 WeakPolarHBondContact OD1-CB 3.46Å; D1565-T1568 PolarHBondContact OD1-N 3.19Å; D1565-T1568 PolarHBondContact OD1-OG1 2.92Å; D1565-V1569 WeakPolarHBondContact O-CG2 3.18Å; D1565-V1569 PolarHBondContact O-N 3.43Å
1566	I	65.5	Low	67.4	Low	46 Å²	46	24.6 Å²	24.6	24%	0.236	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-39.7	-177.9	-63	-178.6	0	0	0	110	T1568 V1569 V1570 L1672 E1673 F1676	I1566-T1568 PolarHBondContact O-N 3.39Å; I1566-V1569 CarbonylContact O-C 3.54Å; I1566-V1569 PolarHBondContact O-N 3.37Å; I1566-V1569 VanDerWaalsContact O-N 3.17Å; I1566-V1570 HydrophobicContact CG2-CG2 4.02Å; I1566-V1570 WeakPolarHBondContact O-CG2 3.32Å; I1566-V1570 PolarHBondContact O-N 2.78Å; I1566-L1672 HydrophobicContact CG2-CB 3.81Å; I1566-L1672 HydrophobicContact CG2-CD1 4.09Å; I1566-E1673 HydrophobicContact CD1-CB 4.37Å; I1566-E1673 HydrophobicContact CD1-CG 3.54Å; I1566-F1676 HydrophobicContact CD1-CD2 4.07Å; I1566-F1676 HydrophobicContact CG1-CD2 4.03Å; I1566-F1676 HydrophobicContact CG1-CE2 3.95Å
1567	D	63.5	Low	67.1	Low	56 Å²	56	22.7 Å²	22.7	30%	0.299	13%	0.125	S	C	.	.	H	α-helix	trans	-59.1	-42.8	178.4	-73.5	-36	0	0	0	112.6	H1528 D1565 V1569 V1570 I1571 Y1665	H1528-D1567 VanDerWaalsContact CE1-CB 3.47Å; H1528-D1567 WeakPolarHBondContact CE1-CB 3.4Å; H1528-D1567 IonicContact CE1-OD2 2.88Å; D1565-D1567 PolarHBondContact O-N 2.98Å; D1567-V1569 PolarHBondContact O-N 2.78Å; D1567-V1570 PolarHBondContact O-N 3.07Å; D1567-I1571 WeakPolarHBondContact O-CG1 3.36Å; D1567-I1571 PolarHBondContact O-N 3.18Å; D1567-Y1665 WeakPolarHBondContact CB-OH 3.39Å; D1567-Y1665 WeakPolarHBondContact OD1-CE1 3.38Å; D1567-Y1665 PolarHBondContact OD1-OH 3.34Å
1568	T	65.6	Low	66.3	Low	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-39.4	175.4	-56.3	0	0	0	0	112	H1528 L1558 D1565 I1566 I1571 L1572	H1528-T1568 PolarHBondContact NE2-OG1 3.09Å; L1558-T1568 HydrophobicContact CB-CG2 4.08Å; L1558-T1568 HydrophobicContact CD1-CG2 4.46Å; D1565-T1568 PolarHBondContact O-N 2.91Å; D1565-T1568 VanDerWaalsContact OD1-CB 3.24Å; D1565-T1568 WeakPolarHBondContact OD1-CB 3.46Å; D1565-T1568 PolarHBondContact OD1-N 3.19Å; D1565-T1568 PolarHBondContact OD1-OG1 2.92Å; I1566-T1568 PolarHBondContact O-N 3.39Å; T1568-I1571 PolarHBondContact O-N 3.2Å; T1568-L1572 PolarHBondContact O-N 2.9Å; T1568-L1572 VanDerWaalsContact O-N 3.17Å
1569	V	66.5	Low	65.5	Low	4 Å²	4	23.9 Å²	23.9	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-71.9	-33.2	176.4	-176.2	0	0	0	0	111.7	D1565 I1566 D1567 L1572 L1573 L1610 F1612 L1672	D1565-V1569 WeakPolarHBondContact O-CG2 3.18Å; D1565-V1569 PolarHBondContact O-N 3.43Å; I1566-V1569 CarbonylContact O-C 3.54Å; I1566-V1569 PolarHBondContact O-N 3.37Å; I1566-V1569 VanDerWaalsContact O-N 3.17Å; D1567-V1569 PolarHBondContact O-N 2.78Å; V1569-L1572 PolarHBondContact O-N 3.37Å; V1569-L1573 HydrophobicContact CG1-CD1 4.22Å; V1569-L1573 PolarHBondContact O-N 2.86Å; V1569-L1610 HydrophobicContact CG2-CD1 4.48Å; V1569-F1612 HydrophobicContact CG2-CE2 4.08Å; V1569-F1612 HydrophobicContact CG2-CZ 3.95Å; V1569-L1672 HydrophobicContact CB-CD1 4.02Å; V1569-L1672 HydrophobicContact CG1-CD1 3.75Å; V1569-L1672 HydrophobicContact CG1-CD2 4.03Å
1570	V	68.5	Low	64.6	Low	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-43.9	171.5	172.9	0	0	0	0	110.3	I1566 D1567 L1572 L1573 V1574 Y1665 L1668 L1672	I1566-V1570 HydrophobicContact CG2-CG2 4.02Å; I1566-V1570 WeakPolarHBondContact O-CG2 3.32Å; I1566-V1570 PolarHBondContact O-N 2.78Å; D1567-V1570 PolarHBondContact O-N 3.07Å; V1570-L1572 VanDerWaalsContact C-N 3.34Å; V1570-L1572 PolarHBondContact O-N 2.76Å; V1570-L1573 PolarHBondContact O-N 3.48Å; V1570-V1574 HydrophobicContact CG1-CG2 3.97Å; V1570-V1574 VanDerWaalsContact O-CB 3.3Å; V1570-V1574 WeakPolarHBondContact O-CB 3.27Å; V1570-V1574 WeakPolarHBondContact O-CG2 3.15Å; V1570-V1574 PolarHBondContact O-N 3.1Å; V1570-Y1665 HydrophobicContact CB-CE2 4.31Å; V1570-Y1665 HydrophobicContact CG1-CD1 4.03Å; V1570-Y1665 HydrophobicContact CG1-CD2 3.45Å; V1570-Y1665 VanDerWaalsContact CG1-CD2 3.45Å; V1570-Y1665 HydrophobicContact CG1-CE1 4.21Å; V1570-Y1665 HydrophobicContact CG1-CE2 3.68Å; V1570-Y1665 HydrophobicContact CG1-CG 3.64Å; V1570-L1668 HydrophobicContact CB-CD2 4.2Å; V1570-L1668 HydrophobicContact CG1-CD2 4.18Å; V1570-L1668 HydrophobicContact CG2-CD2 3.94Å; V1570-L1672 HydrophobicContact CG2-CD1 3.68Å
1571	I	67.1	Low	63.6	Low	5 Å²	5	23 Å²	23	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-44.2	176.5	-67.9	162.5	0	0	0	110.9	T1532 I1535 L1551 L1558 D1567 T1568 L1573 V1574 L1575 Y1665	T1532-I1571 HydrophobicContact CG2-CD1 4.17Å; I1535-I1571 HydrophobicContact CD1-CD1 4.24Å; I1535-I1571 HydrophobicContact CD1-CG2 4.41Å; L1551-I1571 HydrophobicContact CD2-CG2 3.66Å; L1558-I1571 HydrophobicContact CD1-CD1 4.22Å; D1567-I1571 WeakPolarHBondContact O-CG1 3.36Å; D1567-I1571 PolarHBondContact O-N 3.18Å; T1568-I1571 PolarHBondContact O-N 3.2Å; I1571-L1573 PolarHBondContact O-N 3.48Å; I1571-V1574 PolarHBondContact O-N 3.21Å; I1571-L1575 WeakPolarHBondContact O-CB 3.31Å; I1571-L1575 PolarHBondContact O-N 3.39Å; I1571-Y1665 HydrophobicContact CG1-CE2 4.31Å
1572	L	65.7	Low	62.5	Low	4 Å²	4	24.8 Å²	24.8	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-37.1	175.7	-89.9	162.3	0	0	0	113.9	T1555 T1568 V1569 V1570 L1575 Y1576 Y1602 L1610	T1555-L1572 HydrophobicContact CG2-CD1 4.35Å; T1555-L1572 HydrophobicContact CG2-CD2 3.74Å; T1555-L1572 HydrophobicContact CG2-CG 3.94Å; T1568-L1572 PolarHBondContact O-N 2.9Å; T1568-L1572 VanDerWaalsContact O-N 3.17Å; V1569-L1572 PolarHBondContact O-N 3.37Å; V1570-L1572 VanDerWaalsContact C-N 3.34Å; V1570-L1572 PolarHBondContact O-N 2.76Å; L1572-L1575 VanDerWaalsContact O-CB 3.25Å; L1572-L1575 WeakPolarHBondContact O-CB 3.49Å; L1572-Y1576 PolarHBondContact O-N 3.06Å; L1572-Y1602 HydrophobicContact CD2-CE1 4.16Å; L1572-L1610 HydrophobicContact CD1-CD1 3.69Å
1573	L	67.5	Low	61.5	Low	6 Å²	6	24.8 Å²	24.8	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-84.3	-30.2	178.1	-73.7	169.1	0	0	0	113	V1569 V1570 I1571 L1575 Y1576 V1577 L1620 L1668 W1671 L1672	V1569-L1573 HydrophobicContact CG1-CD1 4.22Å; V1569-L1573 PolarHBondContact O-N 2.86Å; V1570-L1573 PolarHBondContact O-N 3.48Å; I1571-L1573 PolarHBondContact O-N 3.48Å; L1573-L1575 VanDerWaalsContact C-N 3.3Å; L1573-Y1576 PolarHBondContact O-N 2.86Å; L1573-V1577 WeakPolarHBondContact O-CG2 3.36Å; L1573-V1577 PolarHBondContact O-N 2.94Å; L1573-L1620 HydrophobicContact CD2-CD1 4.28Å; L1573-L1620 HydrophobicContact CD2-CD2 4.34Å; L1573-L1668 HydrophobicContact CB-CD1 4.01Å; L1573-L1668 HydrophobicContact CB-CD2 3.69Å; L1573-L1668 HydrophobicContact CD1-CD2 3.85Å; L1573-L1668 HydrophobicContact CG-CD2 4.42Å; L1573-W1671 HydrophobicContact CD1-CZ3 4.17Å; L1573-L1672 HydrophobicContact CD1-CD1 4.25Å; L1573-L1672 HydrophobicContact CD1-CD2 4.27Å
1574	V	66.9	Low	60.2	Low	5 Å²	5	27 Å²	27	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-37.4	168.9	168	0	0	0	0	110.4	L1539 V1570 I1571 K1578 W1661 F1664	L1539-V1574 HydrophobicContact CD1-CG1 4Å; V1570-V1574 HydrophobicContact CG1-CG2 3.97Å; V1570-V1574 VanDerWaalsContact O-CB 3.3Å; V1570-V1574 WeakPolarHBondContact O-CB 3.27Å; V1570-V1574 WeakPolarHBondContact O-CG2 3.15Å; V1570-V1574 PolarHBondContact O-N 3.1Å; I1571-V1574 PolarHBondContact O-N 3.21Å; V1574-K1578 WeakPolarHBondContact O-CB 3.47Å; V1574-K1578 PolarHBondContact O-N 2.88Å; V1574-W1661 HydrophobicContact CG1-CE3 3.82Å; V1574-W1661 HydrophobicContact CG1-CZ3 4.01Å; V1574-F1664 HydrophobicContact CB-CE1 4.44Å; V1574-F1664 HydrophobicContact CG2-CD1 3.98Å; V1574-F1664 HydrophobicContact CG2-CE1 3.88Å
1575	L	62.4	Low	59	Low	15 Å²	15	28.3 Å²	28.3	8%	0.079	15%	0.145	C	C	.	.	H	α-helix	trans	-52.7	-58.6	167.2	-102.2	173	0	0	0	111.5	W1548 L1551 I1571 L1572 L1573 V1577 K1578 V1579	W1548-L1575 HydrophobicContact CE3-CD2 3.98Å; W1548-L1575 HydrophobicContact CZ3-CD2 3.5Å; W1548-L1575 VanDerWaalsContact CZ3-CD2 3.5Å; L1551-L1575 HydrophobicContact CB-CD2 4.09Å; L1551-L1575 HydrophobicContact CD1-CD2 3.71Å; L1551-L1575 HydrophobicContact CD1-CG 3.9Å; L1551-L1575 HydrophobicContact CD2-CD1 4Å; L1551-L1575 HydrophobicContact CD2-CD2 4.47Å; L1551-L1575 HydrophobicContact CD2-CG 4.09Å; L1551-L1575 HydrophobicContact CG-CD2 4.29Å; L1551-L1575 HydrophobicContact CG-CG 4.41Å; I1571-L1575 WeakPolarHBondContact O-CB 3.31Å; I1571-L1575 PolarHBondContact O-N 3.39Å; L1572-L1575 VanDerWaalsContact O-CB 3.25Å; L1572-L1575 WeakPolarHBondContact O-CB 3.49Å; L1573-L1575 VanDerWaalsContact C-N 3.3Å; L1575-V1577 PolarHBondContact O-N 2.83Å; L1575-K1578 PolarHBondContact O-N 3.15Å; L1575-K1578 VanDerWaalsContact O-N 3.11Å; L1575-V1579 PolarHBondContact O-N 2.92Å
1576	Y	62.2	Low	57.6	Low	5 Å²	5	31.1 Å²	31.1	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-57	-48.8	-176.8	-174.2	-103.8	0	0	0	112.6	L1572 L1573 K1578 V1579 L1580 L1599 I1603 L1624	L1572-Y1576 PolarHBondContact O-N 3.06Å; L1573-Y1576 PolarHBondContact O-N 2.86Å; Y1576-K1578 VanDerWaalsContact C-N 3.28Å; Y1576-K1578 PolarHBondContact O-N 2.69Å; Y1576-V1579 WeakPolarHBondContact O-CB 3.35Å; Y1576-V1579 PolarHBondContact O-N 3.43Å; Y1576-L1580 HydrophobicContact CD1-CD1 3.81Å; Y1576-L1580 HydrophobicContact CE1-CD1 3.35Å; Y1576-L1580 HydrophobicContact CE1-CG 4.15Å; Y1576-L1580 PolarHBondContact O-N 3.47Å; Y1576-L1599 HydrophobicContact CD2-CD2 3.46Å; Y1576-L1599 VanDerWaalsContact CD2-CD2 3.46Å; Y1576-L1599 HydrophobicContact CD2-CG 3.96Å; Y1576-L1599 HydrophobicContact CE2-CD2 3.87Å; Y1576-L1599 HydrophobicContact CE2-CG 4.42Å; Y1576-L1599 HydrophobicContact CG-CD2 4.42Å; Y1576-I1603 HydrophobicContact CD2-CD1 3.3Å; Y1576-I1603 HydrophobicContact CE2-CD1 4.23Å; Y1576-I1603 HydrophobicContact CG-CD1 3.83Å; Y1576-L1624 HydrophobicContact CD1-CD1 4.22Å; Y1576-L1624 HydrophobicContact CD1-CD2 3.77Å; Y1576-L1624 HydrophobicContact CD1-CG 4.48Å; Y1576-L1624 HydrophobicContact CE1-CB 3.97Å; Y1576-L1624 HydrophobicContact CE1-CD1 3.84Å; Y1576-L1624 HydrophobicContact CE1-CD2 3.56Å; Y1576-L1624 HydrophobicContact CE1-CG 3.94Å; Y1576-L1624 HydrophobicContact CE2-CD1 4.27Å
1577	V	63.1	Low	56.2	Low	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-72.2	-24.8	-179.4	177.1	0	0	0	0	111.6	L1573 L1575 L1581 I1649 F1664	L1573-V1577 WeakPolarHBondContact O-CG2 3.36Å; L1573-V1577 PolarHBondContact O-N 2.94Å; L1575-V1577 PolarHBondContact O-N 2.83Å; V1577-L1581 HydrophobicContact CG1-CD1 3.69Å; V1577-L1581 HydrophobicContact CG1-CG 4.03Å; V1577-L1581 VanDerWaalsContact O-CB 3.31Å; V1577-L1581 WeakPolarHBondContact O-CB 3.4Å; V1577-L1581 VanDerWaalsContact O-CG 3.26Å; V1577-L1581 WeakPolarHBondContact O-CG 3.23Å; V1577-L1581 PolarHBondContact O-N 3.35Å; V1577-I1649 HydrophobicContact CG1-CD1 4.19Å; V1577-I1649 HydrophobicContact CG1-CG1 4.16Å; V1577-I1649 HydrophobicContact CG1-CG2 4.33Å; V1577-I1649 HydrophobicContact CG2-CD1 3.5Å; V1577-I1649 HydrophobicContact CG2-CG1 4.26Å; V1577-F1664 HydrophobicContact CB-CE1 3.88Å; V1577-F1664 HydrophobicContact CB-CZ 3.78Å; V1577-F1664 HydrophobicContact CG1-CE1 3.77Å; V1577-F1664 HydrophobicContact CG1-CZ 3.61Å; V1577-F1664 HydrophobicContact CG2-CZ 3.96Å
1578	K	59	Low	55.1	Low	11 Å²	11	36.6 Å²	36.6	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-74.6	-30.7	170.9	-169.4	162.8	-170.3	170.5	0	112.9	L1539 F1545 V1574 L1575 Y1576 T1582 W1661	L1539-K1578 HydrophobicContact CD2-CD 4.06Å; F1545-K1578 VanDerWaalsContact CB-NZ 3.27Å; V1574-K1578 WeakPolarHBondContact O-CB 3.47Å; V1574-K1578 PolarHBondContact O-N 2.88Å; L1575-K1578 PolarHBondContact O-N 3.15Å; L1575-K1578 VanDerWaalsContact O-N 3.11Å; Y1576-K1578 VanDerWaalsContact C-N 3.28Å; Y1576-K1578 PolarHBondContact O-N 2.69Å; K1578-T1582 HydrophobicContact CG-CG2 4.46Å; K1578-T1582 WeakPolarHBondContact O-CB 3.2Å; K1578-T1582 VanDerWaalsContact O-CG2 3.32Å; K1578-T1582 WeakPolarHBondContact O-CG2 3.46Å; K1578-T1582 PolarHBondContact O-N 2.8Å; K1578-T1582 PolarHBondContact O-OG1 2.82Å; K1578-W1661 HydrophobicContact CB-CH2 3.59Å; K1578-W1661 HydrophobicContact CB-CZ2 4.43Å; K1578-W1661 HydrophobicContact CB-CZ3 3.94Å; K1578-W1661 HydrophobicContact CD-CH2 3.73Å; K1578-W1661 HydrophobicContact CD-CZ2 3.77Å; K1578-W1661 HydrophobicContact CD-CZ3 4.22Å; K1578-W1661 HydrophobicContact CG-CH2 3.57Å; K1578-W1661 HydrophobicContact CG-CZ2 3.91Å; K1578-W1661 HydrophobicContact CG-CZ3 4.28Å
1579	V	55.8	Low	53.8	Low	15 Å²	15	43 Å²	43	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-68.7	162.9	178.3	0	0	0	0	107.8	W1548 L1575 Y1576 L1581 T1582 T1583 L1599	W1548-V1579 HydrophobicContact CH2-CB 4.3Å; W1548-V1579 HydrophobicContact CH2-CG2 3.22Å; W1548-V1579 HydrophobicContact CZ2-CG2 4Å; W1548-V1579 HydrophobicContact CZ3-CG2 3.56Å; L1575-V1579 PolarHBondContact O-N 2.92Å; Y1576-V1579 WeakPolarHBondContact O-CB 3.35Å; Y1576-V1579 PolarHBondContact O-N 3.43Å; V1579-L1581 VanDerWaalsContact C-N 3.31Å; V1579-L1581 PolarHBondContact O-N 3.07Å; V1579-L1581 VanDerWaalsContact O-N 3.08Å; V1579-T1582 WeakPolarHBondContact O-CA 3.45Å; V1579-T1582 PolarHBondContact O-N 3Å; V1579-T1582 PolarHBondContact O-OG1 3.49Å; V1579-T1583 HydrophobicContact CG1-CG2 3.83Å; V1579-T1583 WeakPolarHBondContact O-CG2 3.33Å; V1579-T1583 PolarHBondContact O-N 3.47Å; V1579-L1599 HydrophobicContact CB-CD2 3.67Å; V1579-L1599 HydrophobicContact CG1-CD2 3.89Å; V1579-L1599 HydrophobicContact CG2-CD1 4.04Å; V1579-L1599 HydrophobicContact CG2-CD2 3.56Å; V1579-L1599 HydrophobicContact CG2-CG 4.45Å
1580	L	52.8	Low	52.3	Low	20 Å²	20	46.9 Å²	46.9	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-45.6	-49	-175.4	-71.8	174.3	0	0	0	113.9	Y1576 T1582 T1583 E1584	Y1576-L1580 HydrophobicContact CD1-CD1 3.81Å; Y1576-L1580 HydrophobicContact CE1-CD1 3.35Å; Y1576-L1580 HydrophobicContact CE1-CG 4.15Å; Y1576-L1580 PolarHBondContact O-N 3.47Å; L1580-T1582 VanDerWaalsContact C-N 3.33Å; L1580-T1582 PolarHBondContact O-N 2.84Å; L1580-T1583 PolarHBondContact O-N 2.9Å; L1580-T1583 PolarHBondContact O-OG1 2.89Å; L1580-E1584 WeakPolarHBondContact O-CG 3.49Å
1581	L	51	Low	50.7	Low	40 Å²	40	49.3 Å²	49.3	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-73	-19.3	-178.7	-66.7	176.1	0	0	0	114.6	V1577 V1579 K1653	V1577-L1581 HydrophobicContact CG1-CD1 3.69Å; V1577-L1581 HydrophobicContact CG1-CG 4.03Å; V1577-L1581 VanDerWaalsContact O-CB 3.31Å; V1577-L1581 WeakPolarHBondContact O-CB 3.4Å; V1577-L1581 VanDerWaalsContact O-CG 3.26Å; V1577-L1581 WeakPolarHBondContact O-CG 3.23Å; V1577-L1581 PolarHBondContact O-N 3.35Å; V1579-L1581 VanDerWaalsContact C-N 3.31Å; V1579-L1581 PolarHBondContact O-N 3.07Å; V1579-L1581 VanDerWaalsContact O-N 3.08Å; L1581-K1653 HydrophobicContact CD2-CD 4.39Å; L1581-K1653 HydrophobicContact CD2-CG 4.16Å
1582	T	48.9	Very low	49.1	Very low	59 Å²	59	56.9 Å²	56.9	36%	0.362	29%	0.292	S	S	.	.	H	α-helix	trans	-87.6	-22	170.5	54.5	0	0	0	0	112.5	K1578 V1579 L1580 E1584	K1578-T1582 HydrophobicContact CG-CG2 4.46Å; K1578-T1582 WeakPolarHBondContact O-CB 3.2Å; K1578-T1582 VanDerWaalsContact O-CG2 3.32Å; K1578-T1582 WeakPolarHBondContact O-CG2 3.46Å; K1578-T1582 PolarHBondContact O-N 2.8Å; K1578-T1582 PolarHBondContact O-OG1 2.82Å; V1579-T1582 WeakPolarHBondContact O-CA 3.45Å; V1579-T1582 PolarHBondContact O-N 3Å; V1579-T1582 PolarHBondContact O-OG1 3.49Å; L1580-T1582 VanDerWaalsContact C-N 3.33Å; L1580-T1582 PolarHBondContact O-N 2.84Å; T1582-E1584 VanDerWaalsContact C-N 3.26Å; T1582-E1584 PolarHBondContact O-N 2.92Å
1583	T	43.2	Very low	47.7	Very low	38 Å²	38	62.3 Å²	62.3	23%	0.233	32%	0.317	C	S	.	.	H	α-helix	trans	-72	-19.5	174.2	71.2	0	0	0	0	113.7	V1579 L1580 K1595	V1579-T1583 HydrophobicContact CG1-CG2 3.83Å; V1579-T1583 WeakPolarHBondContact O-CG2 3.33Å; V1579-T1583 PolarHBondContact O-N 3.47Å; L1580-T1583 PolarHBondContact O-N 2.9Å; L1580-T1583 PolarHBondContact O-OG1 2.89Å; T1583-K1595 HydrophobicContact CG2-CD 3.35Å; T1583-K1595 VanDerWaalsContact CG2-CE 3.5Å; T1583-K1595 HydrophobicContact CG2-CG 3.64Å
1584	E	39.8	Very low	46.2	Very low	79 Å²	79	66.1 Å²	66.1	37%	0.369	34%	0.337	S	S	.	.	S	Bend	trans	-91.7	-19.1	-169.4	-76.8	177.9	153.1	0	0	116.2	L1580 T1582 K1653	L1580-E1584 WeakPolarHBondContact O-CG 3.49Å; T1582-E1584 VanDerWaalsContact C-N 3.26Å; T1582-E1584 PolarHBondContact O-N 2.92Å; E1584-K1653 IonicContact OE1-NZ 3.08Å; E1584-K1653 PolarHBondContact OE1-NZ 3.23Å; E1584-K1653 WeakPolarHBondContact OE2-CE 3.46Å; E1584-K1653 IonicContact OE2-NZ 3.59Å; E1584-K1653 PolarHBondContact OE2-NZ 2.58Å
1585	K	38.7	Very low	45	Very low	137 Å²	137	67.8 Å²	67.8	60%	0.596	34%	0.344	S	S	*	.	S	Bend	trans	-120	-45.8	-152.6	-69.9	-146.6	165.6	-164.9	0	121.2
1586	D	36	Very low	44.3	Very low	106 Å²	106	68.8 Å²	68.8	57%	0.567	35%	0.349	S	S	*	.	S	Bend	trans	-143.6	0.9	-163.2	-76.9	-86.4	0	0	0	116.6	Q1120	Q1120-D1586 PolarHBondContact NE2-OD1 2.88Å
1587	D	36.6	Very low	43.3	Very low	92 Å²	92	72.1 Å²	72.1	49%	0.492	38%	0.378	S	S	.	.			trans	-137.5	107.9	-174.8	-163.4	-23.5	0	0	0	113.7	H1589	D1587-H1589 PolarHBondContact O-N 2.83Å; D1587-H1589 PolarHBondContact OD1-N 2.77Å
1588	P	40.3	Very low	42.6	Very low	125 Å²	125	76.8 Å²	76.8	81%	0.812	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.1	176.1	-22	34.3	0	0	0	115.4
1589	H	38.3	Very low	42.2	Very low	135 Å²	135	77.8 Å²	77.8	63%	0.625	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	4.7	-175.8	-66.6	-37.7	0	0	0	114.4	Y1250 D1587 P1591	Y1250-H1589 PolarHBondContact O-NE2 3.2Å; D1587-H1589 PolarHBondContact O-N 2.83Å; D1587-H1589 PolarHBondContact OD1-N 2.77Å; H1589-P1591 VanDerWaalsContact O-CD 3.24Å; H1589-P1591 WeakPolarHBondContact O-CD 3.31Å
1590	Y	34.3	Very low	42.1	Very low	86 Å²	86	78.5 Å²	78.5	34%	0.337	41%	0.413	S	S	.	.	S	Bend	trans	-78	109.3	174.3	-123.2	-91.3	0	0	0	111.3	W1548 E1592 K1595	W1548-Y1590 PolarHBondContact NE1-OH 3.19Å; Y1590-E1592 PolarHBondContact O-N 2.78Å; Y1590-K1595 WeakPolarHBondContact O-CE 3.48Å; Y1590-K1595 PolarHBondContact O-NZ 3.21Å
1591	P	34.6	Very low	42.4	Very low	51 Å²	51	82.7 Å²	82.7	33%	0.331	43%	0.432	S	S	.	.			trans	-64.5	132.7	-166	-22.6	34.1	0	0	0	113	H1589 E1593 I1594 K1595	H1589-P1591 VanDerWaalsContact O-CD 3.24Å; H1589-P1591 WeakPolarHBondContact O-CD 3.31Å; P1591-E1593 PolarHBondContact O-N 2.89Å; P1591-I1594 HydrophobicContact CB-CD1 4.49Å; P1591-I1594 HydrophobicContact CB-CG1 4.47Å; P1591-I1594 HydrophobicContact CG-CD1 4.34Å; P1591-I1594 PolarHBondContact O-N 3.26Å; P1591-K1595 VanDerWaalsContact O-CE 3.26Å; P1591-K1595 WeakPolarHBondContact O-CE 3.3Å; P1591-K1595 WeakPolarHBondContact O-CG 3.33Å
1592	E	34	Very low	42.7	Very low	163 Å²	163	83.4 Å²	83.4	76%	0.762	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-66.1	-27.3	175.2	-61.2	-162.3	127.3	0	0	112.8	Y1590 I1594 K1595	Y1590-E1592 PolarHBondContact O-N 2.78Å; E1592-I1594 VanDerWaalsContact C-N 3.26Å; E1592-I1594 PolarHBondContact O-N 2.67Å; E1592-K1595 HydrophobicContact CG-CD 4.43Å; E1592-K1595 WeakPolarHBondContact O-CB 3.34Å; E1592-K1595 PolarHBondContact O-N 3.26Å
1593	E	37	Very low	43.1	Very low	119 Å²	119	80.9 Å²	80.9	56%	0.556	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.3	-177.9	-58.4	175.5	158.2	0	0	114.7	L1245 P1591	L1245-E1593 HydrophobicContact CD2-CB 3.71Å; L1245-E1593 WeakPolarHBondContact CD2-OE2 3.22Å; L1245-E1593 HydrophobicContact CG-CB 4.09Å; P1591-E1593 PolarHBondContact O-N 2.89Å
1594	I	36	Very low	44	Very low	86 Å²	86	80.5 Å²	80.5	44%	0.441	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-91.4	-20.1	173	-63.5	177.2	0	0	0	111.1	L1245 P1591 E1592	L1245-I1594 HydrophobicContact CD2-CG1 4.44Å; P1591-I1594 HydrophobicContact CB-CD1 4.49Å; P1591-I1594 HydrophobicContact CB-CG1 4.47Å; P1591-I1594 HydrophobicContact CG-CD1 4.34Å; P1591-I1594 PolarHBondContact O-N 3.26Å; E1592-I1594 VanDerWaalsContact C-N 3.26Å; E1592-I1594 PolarHBondContact O-N 2.67Å
1595	K	41.8	Very low	45	Very low	40 Å²	40	84.8 Å²	84.8	17%	0.174	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	141	-169.2	-59	172	-168.5	166	0	110.8	T1583 Y1590 P1591 E1592 A1597	T1583-K1595 HydrophobicContact CG2-CD 3.35Å; T1583-K1595 VanDerWaalsContact CG2-CE 3.5Å; T1583-K1595 HydrophobicContact CG2-CG 3.64Å; Y1590-K1595 WeakPolarHBondContact O-CE 3.48Å; Y1590-K1595 PolarHBondContact O-NZ 3.21Å; P1591-K1595 VanDerWaalsContact O-CE 3.26Å; P1591-K1595 WeakPolarHBondContact O-CE 3.3Å; P1591-K1595 WeakPolarHBondContact O-CG 3.33Å; E1592-K1595 HydrophobicContact CG-CD 4.43Å; E1592-K1595 WeakPolarHBondContact O-CB 3.34Å; E1592-K1595 PolarHBondContact O-N 3.26Å; K1595-A1597 VanDerWaalsContact C-N 3.31Å; K1595-A1597 PolarHBondContact O-N 2.83Å
1596	N	46.3	Very low	46	Very low	35 Å²	35	78.6 Å²	78.6	19%	0.187	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	-60.2	177.5	-57.5	-2.9	0	0	0	116.2	L1599 T1600 E1628	N1596-L1599 PolarHBondContact O-N 2.98Å; N1596-T1600 VanDerWaalsContact O-CB 3.25Å; N1596-T1600 WeakPolarHBondContact O-CB 3.42Å; N1596-T1600 PolarHBondContact O-N 3.48Å; N1596-T1600 PolarHBondContact O-OG1 3.23Å; N1596-E1628 PolarHBondContact ND2-OE1 2.77Å
1597	A	41.8	Very low	47.2	Very low	75 Å²	75	74 Å²	74	62%	0.62	37%	0.374	S	S	*	.	H	α-helix	trans	-59	-58.3	-168.7	0	0	0	0	0	114.7	K1595 L1599 H1601	K1595-A1597 VanDerWaalsContact C-N 3.31Å; K1595-A1597 PolarHBondContact O-N 2.83Å; A1597-L1599 VanDerWaalsContact C-N 3.33Å; A1597-L1599 PolarHBondContact O-N 3.35Å; A1597-H1601 PolarHBondContact O-N 3.35Å; A1597-H1601 VanDerWaalsContact O-N 3.07Å
1598	N	47.6	Very low	48.5	Very low	101 Å²	101	74.8 Å²	74.8	54%	0.54	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-33.8	179.7	-75.9	-33.7	0	0	0	112.4	H1601 Y1602	N1598-H1601 PolarHBondContact O-N 2.96Å; N1598-Y1602 PolarHBondContact O-N 3.39Å
1599	L	50.5	Low	49.3	Very low	31 Å²	31	71.9 Å²	71.9	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-69.1	-44.4	179.5	-173.9	72.3	0	0	0	111.9	Y1576 V1579 N1596 A1597 H1601 Y1602 I1603	Y1576-L1599 HydrophobicContact CD2-CD2 3.46Å; Y1576-L1599 VanDerWaalsContact CD2-CD2 3.46Å; Y1576-L1599 HydrophobicContact CD2-CG 3.96Å; Y1576-L1599 HydrophobicContact CE2-CD2 3.87Å; Y1576-L1599 HydrophobicContact CE2-CG 4.42Å; Y1576-L1599 HydrophobicContact CG-CD2 4.42Å; V1579-L1599 HydrophobicContact CB-CD2 3.67Å; V1579-L1599 HydrophobicContact CG1-CD2 3.89Å; V1579-L1599 HydrophobicContact CG2-CD1 4.04Å; V1579-L1599 HydrophobicContact CG2-CD2 3.56Å; V1579-L1599 HydrophobicContact CG2-CG 4.45Å; N1596-L1599 PolarHBondContact O-N 2.98Å; A1597-L1599 VanDerWaalsContact C-N 3.33Å; A1597-L1599 PolarHBondContact O-N 3.35Å; L1599-H1601 VanDerWaalsContact C-N 3.33Å; L1599-Y1602 PolarHBondContact O-N 3.02Å; L1599-I1603 HydrophobicContact CG-CD1 4.11Å; L1599-I1603 WeakPolarHBondContact O-CB 3.4Å; L1599-I1603 WeakPolarHBondContact O-CG1 3.39Å; L1599-I1603 PolarHBondContact O-N 3.07Å
1600	T	54.8	Low	50.1	Low	30 Å²	30	65.9 Å²	65.9	18%	0.184	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-38.2	174.1	-62.2	0	0	0	0	110.4	N1596 I1603 H1604	N1596-T1600 VanDerWaalsContact O-CB 3.25Å; N1596-T1600 WeakPolarHBondContact O-CB 3.42Å; N1596-T1600 PolarHBondContact O-N 3.48Å; N1596-T1600 PolarHBondContact O-OG1 3.23Å; T1600-I1603 PolarHBondContact O-N 3.46Å; T1600-H1604 WeakPolarHBondContact O-CB 3.49Å; T1600-H1604 PolarHBondContact O-CD2 2.72Å; T1600-H1604 PolarHBondContact O-N 2.84Å
1601	H	59.7	Low	50.9	Low	109 Å²	109	64.8 Å²	64.8	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-44.5	171.3	-177	70.2	0	0	0	112.5	A1597 N1598 L1599 I1603 H1604 R1605	A1597-H1601 PolarHBondContact O-N 3.35Å; A1597-H1601 VanDerWaalsContact O-N 3.07Å; N1598-H1601 PolarHBondContact O-N 2.96Å; L1599-H1601 VanDerWaalsContact C-N 3.33Å; H1601-I1603 PolarHBondContact O-N 3.44Å; H1601-H1604 PolarHBondContact O-N 3.05Å; H1601-R1605 VanDerWaalsContact O-CB 3.24Å; H1601-R1605 WeakPolarHBondContact O-CB 3.37Å; H1601-R1605 PolarHBondContact O-N 2.86Å
1602	Y	56.1	Low	52	Low	55 Å²	55	63.7 Å²	63.7	22%	0.216	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-42.8	175.1	178.8	-89.3	0	0	0	112	E1552 T1555 L1572 N1598 L1599 S1606	E1552-Y1602 HydrophobicContact CG-CE2 3.9Å; T1555-Y1602 HydrophobicContact CG2-CE1 4.43Å; L1572-Y1602 HydrophobicContact CD2-CE1 4.16Å; N1598-Y1602 PolarHBondContact O-N 3.39Å; L1599-Y1602 PolarHBondContact O-N 3.02Å; Y1602-S1606 VanDerWaalsContact O-CB 3.27Å; Y1602-S1606 WeakPolarHBondContact O-CB 3.47Å; Y1602-S1606 PolarHBondContact O-N 3.37Å; Y1602-S1606 PolarHBondContact O-OG 2.79Å
1603	I	58.6	Low	53.1	Low	5 Å²	5	62.1 Å²	62.1	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-43	178.7	-72.9	164.7	0	0	0	111.3	Y1576 L1599 T1600 H1601 S1606 L1607 L1620	Y1576-I1603 HydrophobicContact CD2-CD1 3.3Å; Y1576-I1603 HydrophobicContact CE2-CD1 4.23Å; Y1576-I1603 HydrophobicContact CG-CD1 3.83Å; L1599-I1603 HydrophobicContact CG-CD1 4.11Å; L1599-I1603 WeakPolarHBondContact O-CB 3.4Å; L1599-I1603 WeakPolarHBondContact O-CG1 3.39Å; L1599-I1603 PolarHBondContact O-N 3.07Å; T1600-I1603 PolarHBondContact O-N 3.46Å; H1601-I1603 PolarHBondContact O-N 3.44Å; I1603-S1606 WeakPolarHBondContact O-CB 3.5Å; I1603-S1606 PolarHBondContact O-N 2.93Å; I1603-L1607 HydrophobicContact CG2-CD1 3.66Å; I1603-L1607 HydrophobicContact CG2-CG 4.29Å; I1603-L1607 WeakPolarHBondContact O-CB 3.48Å; I1603-L1607 VanDerWaalsContact O-CG 3.23Å; I1603-L1607 WeakPolarHBondContact O-CG 3.31Å; I1603-L1607 PolarHBondContact O-N 3.36Å; I1603-L1620 HydrophobicContact CG2-CD2 4.35Å
1604	H	61.7	Low	53.7	Low	30 Å²	30	61.7 Å²	61.7	14%	0.139	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-50.1	174.6	-84.7	-129.6	0	0	0	110.9	T1600 H1601 S1606 L1607 E1608 E1621	T1600-H1604 WeakPolarHBondContact O-CB 3.49Å; T1600-H1604 PolarHBondContact O-CD2 2.72Å; T1600-H1604 PolarHBondContact O-N 2.84Å; H1601-H1604 PolarHBondContact O-N 3.05Å; H1604-S1606 VanDerWaalsContact C-N 3.27Å; H1604-S1606 PolarHBondContact O-N 3.48Å; H1604-L1607 PolarHBondContact O-N 3.32Å; H1604-L1607 VanDerWaalsContact O-N 3.16Å; H1604-E1608 WeakPolarHBondContact O-CB 3.47Å; H1604-E1608 WeakPolarHBondContact O-CG 3.37Å; H1604-E1608 PolarHBondContact O-N 3.48Å; H1604-E1621 VanDerWaalsContact CE1-CG 3.47Å; H1604-E1621 WeakPolarHBondContact CE1-CG 3.24Å; H1604-E1621 IonicContact CE1-OE1 2.66Å; H1604-E1621 PolarHBondContact CE1-OE1 2.98Å; H1604-E1621 IonicContact CE1-OE2 2.73Å; H1604-E1621 WeakPolarHBondContact NE2-CG 3.36Å; H1604-E1621 IonicContact NE2-OE1 3.14Å
1605	R	60.8	Low	54.3	Low	169 Å²	169	65.2 Å²	65.2	64%	0.638	34%	0.34	S	S	*	.	H	α-helix	trans	-62.8	-34.5	177.9	-168	171.7	-179.6	174.6	-3.8	112.5	H1601 S1609	H1601-R1605 VanDerWaalsContact O-CB 3.24Å; H1601-R1605 WeakPolarHBondContact O-CB 3.37Å; H1601-R1605 PolarHBondContact O-N 2.86Å; R1605-S1609 WeakPolarHBondContact O-CB 3.25Å; R1605-S1609 PolarHBondContact O-N 3.07Å; R1605-S1609 PolarHBondContact O-OG 3.44Å
1606	S	58.4	Low	54.9	Low	7 Å²	7	66 Å²	66	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-46.6	172.6	-62.3	0	0	0	0	111.5	Y1602 I1603 H1604 S1609 L1610	Y1602-S1606 VanDerWaalsContact O-CB 3.27Å; Y1602-S1606 WeakPolarHBondContact O-CB 3.47Å; Y1602-S1606 PolarHBondContact O-N 3.37Å; Y1602-S1606 PolarHBondContact O-OG 2.79Å; I1603-S1606 WeakPolarHBondContact O-CB 3.5Å; I1603-S1606 PolarHBondContact O-N 2.93Å; H1604-S1606 VanDerWaalsContact C-N 3.27Å; H1604-S1606 PolarHBondContact O-N 3.48Å; S1606-S1609 CarbonylContact O-C 3.47Å; S1606-S1609 PolarHBondContact O-N 3.18Å; S1606-S1609 PolarHBondContact O-OG 2.86Å; S1606-L1610 WeakPolarHBondContact O-CB 3.42Å; S1606-L1610 VanDerWaalsContact O-CG 3.28Å; S1606-L1610 WeakPolarHBondContact O-CG 3.45Å; S1606-L1610 PolarHBondContact O-N 2.86Å
1607	L	61.7	Low	55.3	Low	11 Å²	11	64.5 Å²	64.5	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-39.4	179.1	-69.8	167.7	0	0	0	112.2	I1603 H1604 L1610 G1611 F1612 L1620	I1603-L1607 HydrophobicContact CG2-CD1 3.66Å; I1603-L1607 HydrophobicContact CG2-CG 4.29Å; I1603-L1607 WeakPolarHBondContact O-CB 3.48Å; I1603-L1607 VanDerWaalsContact O-CG 3.23Å; I1603-L1607 WeakPolarHBondContact O-CG 3.31Å; I1603-L1607 PolarHBondContact O-N 3.36Å; H1604-L1607 PolarHBondContact O-N 3.32Å; H1604-L1607 VanDerWaalsContact O-N 3.16Å; L1607-L1610 CarbonylContact O-C 3.58Å; L1607-L1610 PolarHBondContact O-N 3.33Å; L1607-G1611 PolarHBondContact O-N 3.45Å; L1607-G1611 VanDerWaalsContact O-N 3.16Å; L1607-F1612 HydrophobicContact CB-CB 4.19Å; L1607-F1612 HydrophobicContact CB-CD2 4.11Å; L1607-F1612 HydrophobicContact CB-CG 4.41Å; L1607-F1612 HydrophobicContact CD2-CD2 3.58Å; L1607-F1612 HydrophobicContact CD2-CE2 3.64Å; L1607-F1612 HydrophobicContact CD2-CG 4.13Å; L1607-F1612 HydrophobicContact CD2-CZ 4.24Å; L1607-F1612 HydrophobicContact CG-CD2 4.47Å; L1607-F1612 WeakPolarHBondContact O-CB 3.36Å; L1607-F1612 WeakPolarHBondContact O-CD2 3.49Å; L1607-F1612 PolarHBondContact O-N 2.72Å; L1607-L1620 HydrophobicContact CD1-CD2 3.42Å; L1607-L1620 VanDerWaalsContact CD1-CD2 3.42Å
1608	E	63.3	Low	55.9	Low	107 Å²	107	65.1 Å²	65.1	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-45.3	169.9	-73.6	-178	152.6	0	0	110.9	H1604 L1610 G1611	H1604-E1608 WeakPolarHBondContact O-CB 3.47Å; H1604-E1608 WeakPolarHBondContact O-CG 3.37Å; H1604-E1608 PolarHBondContact O-N 3.48Å; E1608-L1610 PolarHBondContact O-N 2.77Å; E1608-G1611 PolarHBondContact O-N 2.89Å
1609	S	57.3	Low	56.3	Low	65 Å²	65	64 Å²	64	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-27.2	175.4	79.1	0	0	0	0	113.6	R1605 S1606 G1611	R1605-S1609 WeakPolarHBondContact O-CB 3.25Å; R1605-S1609 PolarHBondContact O-N 3.07Å; R1605-S1609 PolarHBondContact O-OG 3.44Å; S1606-S1609 CarbonylContact O-C 3.47Å; S1606-S1609 PolarHBondContact O-N 3.18Å; S1606-S1609 PolarHBondContact O-OG 2.86Å; S1609-G1611 VanDerWaalsContact C-N 3.28Å
1610	L	55.2	Low	56.5	Low	8 Å²	8	63.2 Å²	63.2	4%	0.042	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1	174.1	-73	168.5	0	0	0	113.2	I1559 F1563 H1564 V1569 L1572 S1606 L1607 E1608 F1612	I1559-L1610 HydrophobicContact CG1-CD2 4.06Å; I1559-L1610 HydrophobicContact CG1-CG 4.25Å; F1563-L1610 WeakPolarHBondContact O-CD2 3.26Å; H1564-L1610 WeakPolarHBondContact ND1-CA 3.28Å; H1564-L1610 PolarHBondContact ND1-O 3.35Å; V1569-L1610 HydrophobicContact CG2-CD1 4.48Å; L1572-L1610 HydrophobicContact CD1-CD1 3.69Å; S1606-L1610 WeakPolarHBondContact O-CB 3.42Å; S1606-L1610 VanDerWaalsContact O-CG 3.28Å; S1606-L1610 WeakPolarHBondContact O-CG 3.45Å; S1606-L1610 PolarHBondContact O-N 2.86Å; L1607-L1610 CarbonylContact O-C 3.58Å; L1607-L1610 PolarHBondContact O-N 3.33Å; E1608-L1610 PolarHBondContact O-N 2.77Å; L1610-F1612 HydrophobicContact CB-CD2 3.81Å; L1610-F1612 HydrophobicContact CB-CE2 3.86Å; L1610-F1612 HydrophobicContact CD1-CE2 4.44Å
1611	G	52.6	Low	56.7	Low	64 Å²	64	65.6 Å²	65.6	66%	0.66	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	9.9	175.4	0	0	0	0	0	115.4	L1607 E1608 S1609 Q1613	L1607-G1611 PolarHBondContact O-N 3.45Å; L1607-G1611 VanDerWaalsContact O-N 3.16Å; E1608-G1611 PolarHBondContact O-N 2.89Å; S1609-G1611 VanDerWaalsContact C-N 3.28Å; G1611-Q1613 PolarHBondContact O-N 3.4Å
1612	F	57.5	Low	56.7	Low	27 Å²	27	65 Å²	65	12%	0.118	32%	0.319	C	S	.	.			trans	-72.6	122.6	173.9	-67.7	-93.7	0	0	0	110.4	V1569 L1607 L1610 Y1616 W1675 F1676	V1569-F1612 HydrophobicContact CG2-CE2 4.08Å; V1569-F1612 HydrophobicContact CG2-CZ 3.95Å; L1607-F1612 HydrophobicContact CB-CB 4.19Å; L1607-F1612 HydrophobicContact CB-CD2 4.11Å; L1607-F1612 HydrophobicContact CB-CG 4.41Å; L1607-F1612 HydrophobicContact CD2-CD2 3.58Å; L1607-F1612 HydrophobicContact CD2-CE2 3.64Å; L1607-F1612 HydrophobicContact CD2-CG 4.13Å; L1607-F1612 HydrophobicContact CD2-CZ 4.24Å; L1607-F1612 HydrophobicContact CG-CD2 4.47Å; L1607-F1612 WeakPolarHBondContact O-CB 3.36Å; L1607-F1612 WeakPolarHBondContact O-CD2 3.49Å; L1607-F1612 PolarHBondContact O-N 2.72Å; L1610-F1612 HydrophobicContact CB-CD2 3.81Å; L1610-F1612 HydrophobicContact CB-CE2 3.86Å; L1610-F1612 HydrophobicContact CD1-CE2 4.44Å; F1612-Y1616 HydrophobicContact CD1-CD2 4.48Å; F1612-W1675 HydrophobicContact CD1-CH2 4.44Å; F1612-W1675 HydrophobicContact CE1-CH2 4.29Å; F1612-W1675 HydrophobicContact CE1-CZ3 4.08Å; F1612-F1676 AromaticContact CE1-CE1 3.84Å; F1612-F1676 HydrophobicContact CE1-CE1 3.84Å; F1612-F1676 AromaticContact CE1-CZ 3.64Å; F1612-F1676 HydrophobicContact CE1-CZ 3.64Å; F1612-F1676 HydrophobicContact CZ-CE1 4.26Å; F1612-F1676 AromaticContact CZ-CZ 3.65Å; F1612-F1676 HydrophobicContact CZ-CZ 3.65Å
1613	Q	56.5	Low	56.8	Low	130 Å²	130	62.4 Å²	62.4	61%	0.607	31%	0.308	S	S	*	.			trans	-60.4	147.2	172.5	-62.1	-177.8	-11.8	0	0	111.3	G1611 K1615 Y1616	G1611-Q1613 PolarHBondContact O-N 3.4Å; Q1613-K1615 PolarHBondContact O-N 2.88Å; Q1613-Y1616 HydrophobicContact CB-CD2 4Å; Q1613-Y1616 HydrophobicContact CB-CE2 4.28Å; Q1613-Y1616 WeakPolarHBondContact O-CB 3.39Å; Q1613-Y1616 PolarHBondContact O-N 3.09Å
1614	I	48.7	Very low	56.7	Low	110 Å²	110	62.4 Å²	62.4	56%	0.564	31%	0.308	S	S	*	.	H	α-helix	trans	-45.9	-37.7	175.8	-63.4	170.8	0	0	0	112.2	Y1616 C1617 N1618	I1614-Y1616 PolarHBondContact O-N 3.19Å; I1614-Y1616 VanDerWaalsContact O-N 3.12Å; I1614-C1617 WeakPolarHBondContact O-CA 3.43Å; I1614-C1617 WeakPolarHBondContact O-CB 3.12Å; I1614-C1617 PolarHBondContact O-N 2.76Å; I1614-N1618 WeakPolarHBondContact CG2-OD1 3.05Å; I1614-N1618 PolarHBondContact O-N 2.94Å; I1614-N1618 PolarHBondContact O-OD1 2.82Å
1615	K	50	Low	56.4	Low	160 Å²	160	63.4 Å²	63.4	70%	0.696	32%	0.318	S	S	*	.	H	α-helix	trans	-54.1	-31.6	175.7	-171.5	179.6	178.6	-174.6	0	114.5	Q1613	Q1613-K1615 PolarHBondContact O-N 2.88Å
1616	Y	54	Low	56.2	Low	58 Å²	58	58.6 Å²	58.6	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-80.2	-35.1	173.2	-62.9	-66	0	0	0	112.1	F1612 Q1613 I1614 Y1619 L1620 W1675	F1612-Y1616 HydrophobicContact CD1-CD2 4.48Å; Q1613-Y1616 HydrophobicContact CB-CD2 4Å; Q1613-Y1616 HydrophobicContact CB-CE2 4.28Å; Q1613-Y1616 WeakPolarHBondContact O-CB 3.39Å; Q1613-Y1616 PolarHBondContact O-N 3.09Å; I1614-Y1616 PolarHBondContact O-N 3.19Å; I1614-Y1616 VanDerWaalsContact O-N 3.12Å; Y1616-Y1619 PolarHBondContact O-N 2.81Å; Y1616-L1620 WeakPolarHBondContact O-CB 3.42Å; Y1616-L1620 PolarHBondContact O-N 2.71Å; Y1616-W1675 AromaticContact CD1-CH2 3.56Å; Y1616-W1675 HydrophobicContact CD1-CH2 3.56Å; Y1616-W1675 AromaticContact CD1-CZ2 3.61Å; Y1616-W1675 HydrophobicContact CD1-CZ2 3.61Å; Y1616-W1675 HydrophobicContact CE1-CH2 4.28Å; Y1616-W1675 HydrophobicContact CE1-CZ2 4.39Å; Y1616-W1675 HydrophobicContact CG-CH2 4.02Å; Y1616-W1675 HydrophobicContact CG-CZ2 4.35Å
1617	C	54.9	Low	55.7	Low	3 Å²	3	59 Å²	59	2%	0.02	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-48.5	175.5	-56.4	0	0	0	0	110.6	I1614 Y1619 L1620 E1621	I1614-C1617 WeakPolarHBondContact O-CA 3.43Å; I1614-C1617 WeakPolarHBondContact O-CB 3.12Å; I1614-C1617 PolarHBondContact O-N 2.76Å; C1617-Y1619 VanDerWaalsContact C-N 3.28Å; C1617-Y1619 PolarHBondContact O-N 2.96Å; C1617-L1620 CarbonylContact O-C 3.33Å; C1617-L1620 WeakPolarHBondContact O-CA 3.15Å; C1617-L1620 WeakPolarHBondContact O-CB 3.48Å; C1617-L1620 PolarHBondContact O-N 3.03Å; C1617-E1621 PolarHBondContact O-N 2.82Å
1618	N	53.6	Low	55	Low	88 Å²	88	63.7 Å²	63.7	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-36.4	174.5	-69.2	65.4	0	0	0	113.5	I1614 E1621 E1622	I1614-N1618 WeakPolarHBondContact CG2-OD1 3.05Å; I1614-N1618 PolarHBondContact O-N 2.94Å; I1614-N1618 PolarHBondContact O-OD1 2.82Å; N1618-E1621 WeakPolarHBondContact CA-OE2 3.32Å; N1618-E1622 WeakPolarHBondContact O-CB 3.18Å; N1618-E1622 PolarHBondContact O-N 2.9Å
1619	Y	55.5	Low	54.2	Low	78 Å²	78	63.7 Å²	63.7	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-73.5	-34.4	176.1	-177	-95	0	0	0	111.7	Y1616 C1617 E1622 E1623 W1675	Y1616-Y1619 PolarHBondContact O-N 2.81Å; C1617-Y1619 VanDerWaalsContact C-N 3.28Å; C1617-Y1619 PolarHBondContact O-N 2.96Å; Y1619-E1622 PolarHBondContact O-N 3.04Å; Y1619-E1623 HydrophobicContact CD1-CG 4.46Å; Y1619-E1623 HydrophobicContact CE1-CG 3.96Å; Y1619-E1623 PolarHBondContact O-N 3.45Å; Y1619-E1623 VanDerWaalsContact O-N 3.09Å; Y1619-W1675 HydrophobicContact CD1-CZ2 4.32Å; Y1619-W1675 AromaticContact CD1-NE1 3.41Å; Y1619-W1675 AromaticContact CE1-CD1 3.82Å; Y1619-W1675 AromaticContact CE1-NE1 3.21Å
1620	L	56.4	Low	53.6	Low	14 Å²	14	61.1 Å²	61.1	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-51.2	172.3	-161.7	73.6	0	0	0	109.9	L1573 I1603 L1607 Y1616 C1617 E1622 E1623 L1624 W1671	L1573-L1620 HydrophobicContact CD2-CD1 4.28Å; L1573-L1620 HydrophobicContact CD2-CD2 4.34Å; I1603-L1620 HydrophobicContact CG2-CD2 4.35Å; L1607-L1620 HydrophobicContact CD1-CD2 3.42Å; L1607-L1620 VanDerWaalsContact CD1-CD2 3.42Å; Y1616-L1620 WeakPolarHBondContact O-CB 3.42Å; Y1616-L1620 PolarHBondContact O-N 2.71Å; C1617-L1620 CarbonylContact O-C 3.33Å; C1617-L1620 WeakPolarHBondContact O-CA 3.15Å; C1617-L1620 WeakPolarHBondContact O-CB 3.48Å; C1617-L1620 PolarHBondContact O-N 3.03Å; L1620-E1622 PolarHBondContact O-N 2.93Å; L1620-E1623 CarbonylContact O-C 3.48Å; L1620-E1623 WeakPolarHBondContact O-CA 3.33Å; L1620-E1623 PolarHBondContact O-N 3.17Å; L1620-L1624 HydrophobicContact CD2-CD1 4.12Å; L1620-L1624 HydrophobicContact CG-CD1 3.93Å; L1620-L1624 HydrophobicContact CG-CG 4.06Å; L1620-L1624 WeakPolarHBondContact O-CB 3.26Å; L1620-L1624 VanDerWaalsContact O-CG 3.26Å; L1620-L1624 WeakPolarHBondContact O-CG 3.5Å; L1620-L1624 PolarHBondContact O-N 3.38Å; L1620-W1671 HydrophobicContact CD1-CH2 4.38Å
1621	E	57.2	Low	52.8	Low	79 Å²	79	67 Å²	67	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-49.5	-42.3	170.9	-70.4	176.8	134.2	0	0	112.1	H1604 C1617 N1618 E1623 L1624 S1625	H1604-E1621 VanDerWaalsContact CE1-CG 3.47Å; H1604-E1621 WeakPolarHBondContact CE1-CG 3.24Å; H1604-E1621 IonicContact CE1-OE1 2.66Å; H1604-E1621 PolarHBondContact CE1-OE1 2.98Å; H1604-E1621 IonicContact CE1-OE2 2.73Å; H1604-E1621 WeakPolarHBondContact NE2-CG 3.36Å; H1604-E1621 IonicContact NE2-OE1 3.14Å; C1617-E1621 PolarHBondContact O-N 2.82Å; N1618-E1621 WeakPolarHBondContact CA-OE2 3.32Å; E1621-E1623 VanDerWaalsContact C-N 3.31Å; E1621-E1623 PolarHBondContact O-N 3.36Å; E1621-L1624 PolarHBondContact O-N 3.03Å; E1621-S1625 VanDerWaalsContact O-CB 3.31Å; E1621-S1625 WeakPolarHBondContact O-CB 3.44Å; E1621-S1625 PolarHBondContact O-N 3.08Å; E1621-S1625 PolarHBondContact O-OG 2.97Å
1622	E	60.7	Low	52.1	Low	98 Å²	98	73.3 Å²	73.3	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-27.4	177.4	-150.1	-156.9	107.1	0	0	112.9	N1618 Y1619 L1620 K1626	N1618-E1622 WeakPolarHBondContact O-CB 3.18Å; N1618-E1622 PolarHBondContact O-N 2.9Å; Y1619-E1622 PolarHBondContact O-N 3.04Å; L1620-E1622 PolarHBondContact O-N 2.93Å; E1622-K1626 WeakPolarHBondContact O-CD 3.39Å; E1622-K1626 WeakPolarHBondContact O-CE 3.17Å; E1622-K1626 WeakPolarHBondContact O-CG 3.12Å; E1622-K1626 PolarHBondContact O-NZ 3.47Å; E1622-K1626 WeakPolarHBondContact OE1-CE 3.13Å; E1622-K1626 IonicContact OE1-NZ 2.64Å; E1622-K1626 PolarHBondContact OE1-NZ 2.84Å
1623	E	57.7	Low	50.9	Low	0 Å²	0	77.4 Å²	77.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-87.7	-29	172.6	-69.8	-73.4	114.1	0	0	112.6	Y1619 L1620 E1621 K1626 L1627 H1644 L1645	Y1619-E1623 HydrophobicContact CD1-CG 4.46Å; Y1619-E1623 HydrophobicContact CE1-CG 3.96Å; Y1619-E1623 PolarHBondContact O-N 3.45Å; Y1619-E1623 VanDerWaalsContact O-N 3.09Å; L1620-E1623 CarbonylContact O-C 3.48Å; L1620-E1623 WeakPolarHBondContact O-CA 3.33Å; L1620-E1623 PolarHBondContact O-N 3.17Å; E1621-E1623 VanDerWaalsContact C-N 3.31Å; E1621-E1623 PolarHBondContact O-N 3.36Å; E1623-K1626 IonicContact OE1-NZ 3.2Å; E1623-K1626 PolarHBondContact OE1-NZ 3.45Å; E1623-L1627 PolarHBondContact O-N 3.22Å; E1623-H1644 VanDerWaalsContact CD-ND1 3.34Å; E1623-H1644 IonicContact OE1-CE1 3.93Å; E1623-H1644 IonicContact OE1-ND1 2.75Å; E1623-H1644 PolarHBondContact OE1-ND1 2.99Å; E1623-H1644 VanDerWaalsContact OE2-CB 3.32Å; E1623-H1644 WeakPolarHBondContact OE2-CB 3.21Å; E1623-H1644 IonicContact OE2-CG 2.64Å; E1623-H1644 IonicContact OE2-ND1 3.99Å; E1623-H1644 PolarHBondContact OE2-ND1 3.45Å; E1623-H1644 VanDerWaalsContact OE2-ND1 3.08Å; E1623-L1645 HydrophobicContact CB-CB 4.21Å; E1623-L1645 HydrophobicContact CB-CD2 4.42Å; E1623-L1645 PolarHBondContact OE2-N 3.26Å; E1623-L1645 VanDerWaalsContact OE2-N 3.08Å
1624	L	57.2	Low	49.8	Very low	4 Å²	4	74.3 Å²	74.3	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-79.3	-27.8	178.1	-60.3	-174.8	0	0	0	113.1	Y1576 L1620 E1621 L1627 E1628 L1645	Y1576-L1624 HydrophobicContact CD1-CD1 4.22Å; Y1576-L1624 HydrophobicContact CD1-CD2 3.77Å; Y1576-L1624 HydrophobicContact CD1-CG 4.48Å; Y1576-L1624 HydrophobicContact CE1-CB 3.97Å; Y1576-L1624 HydrophobicContact CE1-CD1 3.84Å; Y1576-L1624 HydrophobicContact CE1-CD2 3.56Å; Y1576-L1624 HydrophobicContact CE1-CG 3.94Å; Y1576-L1624 HydrophobicContact CE2-CD1 4.27Å; L1620-L1624 HydrophobicContact CD2-CD1 4.12Å; L1620-L1624 HydrophobicContact CG-CD1 3.93Å; L1620-L1624 HydrophobicContact CG-CG 4.06Å; L1620-L1624 WeakPolarHBondContact O-CB 3.26Å; L1620-L1624 VanDerWaalsContact O-CG 3.26Å; L1620-L1624 WeakPolarHBondContact O-CG 3.5Å; L1620-L1624 PolarHBondContact O-N 3.38Å; E1621-L1624 PolarHBondContact O-N 3.03Å; L1624-L1627 HydrophobicContact CD2-CD1 3.77Å; L1624-L1627 WeakPolarHBondContact O-CB 3.48Å; L1624-L1627 PolarHBondContact O-N 2.84Å; L1624-E1628 PolarHBondContact O-N 3.22Å; L1624-L1645 HydrophobicContact CD2-CD2 3.51Å
1625	S	55.6	Low	49	Very low	51 Å²	51	76 Å²	76	36%	0.357	36%	0.357	S	S	.	.	H	α-helix	trans	-81.6	-28.3	171.5	54.4	0	0	0	0	113	E1621 L1627 N1629	E1621-S1625 VanDerWaalsContact O-CB 3.31Å; E1621-S1625 WeakPolarHBondContact O-CB 3.44Å; E1621-S1625 PolarHBondContact O-N 3.08Å; E1621-S1625 PolarHBondContact O-OG 2.97Å; S1625-L1627 PolarHBondContact O-N 3.08Å; S1625-N1629 PolarHBondContact O-ND2 3.48Å
1626	K	55.3	Low	48.2	Very low	69 Å²	69	71 Å²	71	30%	0.3	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-26.5	163.5	-72.2	169.7	-160	121	0	111.7	E1622 E1623 N1629	E1622-K1626 WeakPolarHBondContact O-CD 3.39Å; E1622-K1626 WeakPolarHBondContact O-CE 3.17Å; E1622-K1626 WeakPolarHBondContact O-CG 3.12Å; E1622-K1626 PolarHBondContact O-NZ 3.47Å; E1622-K1626 WeakPolarHBondContact OE1-CE 3.13Å; E1622-K1626 IonicContact OE1-NZ 2.64Å; E1622-K1626 PolarHBondContact OE1-NZ 2.84Å; E1623-K1626 IonicContact OE1-NZ 3.2Å; E1623-K1626 PolarHBondContact OE1-NZ 3.45Å; K1626-N1629 PolarHBondContact O-N 3.19Å
1627	L	49.7	Very low	47.1	Very low	14 Å²	14	73.1 Å²	73.1	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-72.6	-42.5	-179.4	-108.8	158.1	0	0	0	113.1	E1623 L1624 S1625 N1629 I1630 L1645 I1649	E1623-L1627 PolarHBondContact O-N 3.22Å; L1624-L1627 HydrophobicContact CD2-CD1 3.77Å; L1624-L1627 WeakPolarHBondContact O-CB 3.48Å; L1624-L1627 PolarHBondContact O-N 2.84Å; S1625-L1627 PolarHBondContact O-N 3.08Å; L1627-N1629 PolarHBondContact O-N 2.99Å; L1627-N1629 VanDerWaalsContact O-N 3.07Å; L1627-I1630 HydrophobicContact CD2-CD1 3.54Å; L1627-I1630 HydrophobicContact CG-CD1 4.08Å; L1627-I1630 WeakPolarHBondContact O-CG1 3.5Å; L1627-I1630 PolarHBondContact O-N 3.4Å; L1627-L1645 HydrophobicContact CD1-CD2 3.9Å; L1627-L1645 HydrophobicContact CD1-CG 4.02Å; L1627-I1649 HydrophobicContact CD1-CD1 3.58Å; L1627-I1649 HydrophobicContact CD2-CB 4.13Å; L1627-I1649 HydrophobicContact CD2-CD1 3.51Å; L1627-I1649 HydrophobicContact CD2-CG1 4.41Å; L1627-I1649 HydrophobicContact CD2-CG2 3.82Å; L1627-I1649 HydrophobicContact CG-CD1 4.02Å
1628	E	46	Very low	45.9	Very low	110 Å²	110	77.5 Å²	77.5	51%	0.514	38%	0.381	S	S	.	.	H	α-helix	trans	-56.4	-22.6	172.4	-65.8	174.6	127.6	0	0	112.8	N1596 L1624	N1596-E1628 PolarHBondContact ND2-OE1 2.77Å; L1624-E1628 PolarHBondContact O-N 3.22Å
1629	N	46	Very low	44.7	Very low	107 Å²	107	77.5 Å²	77.5	57%	0.572	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	1.6	-175.8	-75.6	-88.6	0	0	0	114.6	S1625 K1626 L1627 E1631 R1632	S1625-N1629 PolarHBondContact O-ND2 3.48Å; K1626-N1629 PolarHBondContact O-N 3.19Å; L1627-N1629 PolarHBondContact O-N 2.99Å; L1627-N1629 VanDerWaalsContact O-N 3.07Å; N1629-E1631 VanDerWaalsContact C-N 3.33Å; N1629-E1631 PolarHBondContact O-N 3.3Å; N1629-R1632 PolarHBondContact O-N 2.78Å
1630	I	44.4	Very low	43.6	Very low	11 Å²	11	84 Å²	84	6%	0.056	42%	0.416	C	S	.	.	H	α-helix	trans	-62.7	-36	-173.4	-72.9	-178.9	0	0	0	112.8	L1627 R1632 H1646	L1627-I1630 HydrophobicContact CD2-CD1 3.54Å; L1627-I1630 HydrophobicContact CG-CD1 4.08Å; L1627-I1630 WeakPolarHBondContact O-CG1 3.5Å; L1627-I1630 PolarHBondContact O-N 3.4Å; I1630-R1632 PolarHBondContact O-N 2.9Å; I1630-R1632 VanDerWaalsContact O-N 3.12Å; I1630-H1646 HydrophobicContact CD1-CB 3.87Å; I1630-H1646 HydrophobicContact CG1-CB 4.42Å
1631	E	39.3	Very low	43	Very low	133 Å²	133	91.5 Å²	91.5	62%	0.621	45%	0.451	S	S	*	.	H	α-helix	trans	-64.4	-16.2	-176	-67.5	-86.8	114.1	0	0	114.1	N1629 K1653	N1629-E1631 VanDerWaalsContact C-N 3.33Å; N1629-E1631 PolarHBondContact O-N 3.3Å; E1631-K1653 IonicContact OE1-NZ 2.88Å; E1631-K1653 PolarHBondContact OE1-NZ 3.11Å
1632	R	38.1	Very low	42.3	Very low	196 Å²	196	90.4 Å²	90.4	74%	0.74	45%	0.449	S	S	*	.	H	α-helix	trans	-115.2	-19.5	-167.7	-69.7	-173	177.4	-169.6	-1.8	118	D661 N1629 I1630	D661-R1632 IonicContact OD2-NH1 3.74Å; N1629-R1632 PolarHBondContact O-N 2.78Å; I1630-R1632 PolarHBondContact O-N 2.9Å; I1630-R1632 VanDerWaalsContact O-N 3.12Å
1633	N	31.8	Very low	41.7	Very low	113 Å²	113	90.1 Å²	90.1	60%	0.604	45%	0.45	S	S	*	.	H	α-helix	trans	-154.8	-5.7	-169.5	-109.5	-64.4	0	0	0	123.3	K1635	N1633-K1635 PolarHBondContact O-N 3.24Å
1634	V	34.4	Very low	41.8	Very low	64 Å²	64	92.5 Å²	92.5	39%	0.388	46%	0.461	S	S	.	.			trans	-93.7	104	-167.4	-174	0	0	0	0	114.4	I1636	V1634-I1636 HydrophobicContact CG1-CG1 4.44Å
1635	K	31	Very low	41.8	Very low	146 Å²	146	92.3 Å²	92.3	64%	0.635	46%	0.46	S	S	*	.			trans	-83	110.8	162.7	-83.3	179.1	169.3	179.3	0	110.3	L1051 N1633 N1637	L1051-K1635 HydrophobicContact CD2-CD 4.02Å; N1633-K1635 PolarHBondContact O-N 3.24Å; K1635-N1637 PolarHBondContact O-N 2.99Å
1636	I	34.5	Very low	41.9	Very low	55 Å²	55	91.5 Å²	91.5	28%	0.282	45%	0.451	S	S	.	.			trans	-70.4	91.4	-179.8	-52.2	176	0	0	0	111.2	K1054 V1634 H1650	K1054-I1636 PolarHBondContact NZ-O 3.41Å; V1634-I1636 HydrophobicContact CG1-CG1 4.44Å; I1636-H1650 HydrophobicContact CD1-CB 4.1Å
1637	N	30.1	Very low	41.9	Very low	102 Å²	102	89.5 Å²	89.5	55%	0.545	44%	0.443	S	S	.	.			trans	-81.4	126.5	156.9	-78.7	-6	0	0	0	108	L1051 K1635 P1639	L1051-N1637 WeakPolarHBondContact CD1-OD1 3.14Å; K1635-N1637 PolarHBondContact O-N 2.99Å; N1637-P1639 WeakPolarHBondContact O-CD 3.37Å
1638	P	28.7	Very low	42.3	Very low	95 Å²	95	89 Å²	89	62%	0.617	44%	0.44	S	S	*	.			trans	-83.3	114.4	-172.2	31.6	-31.3	0	0	0	112
1639	P	28.6	Very low	42.8	Very low	89 Å²	89	83.9 Å²	83.9	58%	0.578	42%	0.417	S	S	*	.			trans	-79.7	145.5	165.1	34.9	-31.1	0	0	0	109.3	N1637 E1641	N1637-P1639 WeakPolarHBondContact O-CD 3.37Å; P1639-E1641 VanDerWaalsContact C-N 3.3Å; P1639-E1641 PolarHBondContact O-N 2.6Å
1640	K	33.3	Very low	43.1	Very low	213 Å²	213	80.4 Å²	80.4	93%	0.926	40%	0.397	S	S	*	.	S	Bend	trans	-76.7	-0.8	-166	-72	-174.5	174.9	-179.5	0	116.3
1641	E	43.6	Very low	43.5	Very low	172 Å²	172	83.9 Å²	83.9	80%	0.804	42%	0.415	S	S	*	.	S	Bend	trans	-137	-13.3	-161.2	-62.1	-173.1	145.6	0	0	117.8	P1639	P1639-E1641 VanDerWaalsContact C-N 3.3Å; P1639-E1641 PolarHBondContact O-N 2.6Å
1642	V	42.3	Very low	44.1	Very low	57 Å²	57	79.3 Å²	79.3	35%	0.345	40%	0.396	S	S	.	.			trans	-137.6	133.5	-178	-173.2	0	0	0	0	110.8
1643	I	48.6	Very low	44.7	Very low	92 Å²	92	72 Å²	72	47%	0.472	37%	0.37	S	S	.	.			trans	-103.8	125.7	170.9	-55.7	173.9	0	0	0	107.3	D1647 W1671	I1643-D1647 HydrophobicContact CG2-CB 4.16Å; I1643-W1671 PolarHBondContact O-NE1 2.82Å
1644	H	58.9	Low	45.1	Very low	50 Å²	50	70.4 Å²	70.4	23%	0.231	36%	0.362	C	S	.	.			trans	-97	164	177.9	-76.9	-97.1	0	0	0	112.4	E1623 H1646 D1647 C1648	E1623-H1644 VanDerWaalsContact CD-ND1 3.34Å; E1623-H1644 IonicContact OE1-CE1 3.93Å; E1623-H1644 IonicContact OE1-ND1 2.75Å; E1623-H1644 PolarHBondContact OE1-ND1 2.99Å; E1623-H1644 VanDerWaalsContact OE2-CB 3.32Å; E1623-H1644 WeakPolarHBondContact OE2-CB 3.21Å; E1623-H1644 IonicContact OE2-CG 2.64Å; E1623-H1644 IonicContact OE2-ND1 3.99Å; E1623-H1644 PolarHBondContact OE2-ND1 3.45Å; E1623-H1644 VanDerWaalsContact OE2-ND1 3.08Å; H1644-H1646 VanDerWaalsContact CB-CE1 3.46Å; H1644-H1646 WeakPolarHBondContact CB-CE1 3.42Å; H1644-H1646 WeakPolarHBondContact CB-ND1 3.46Å; H1644-H1646 AromaticContact CG-CE1 3.87Å; H1644-H1646 AromaticContact CG-ND1 3.89Å; H1644-H1646 PolarHBondContact O-N 3.37Å; H1644-D1647 WeakPolarHBondContact CB-OD2 3.32Å; H1644-D1647 PolarHBondContact N-OD2 3.44Å; H1644-D1647 WeakPolarHBondContact O-CB 3.39Å; H1644-D1647 PolarHBondContact O-N 2.76Å; H1644-D1647 VanDerWaalsContact O-N 3.09Å; H1644-C1648 PolarHBondContact O-N 2.99Å
1645	L	57.5	Low	45.5	Very low	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-34.3	178.1	-175.9	58	0	0	0	111.1	E1623 L1624 L1627 D1647 C1648 I1649 L1668 W1671	E1623-L1645 HydrophobicContact CB-CB 4.21Å; E1623-L1645 HydrophobicContact CB-CD2 4.42Å; E1623-L1645 PolarHBondContact OE2-N 3.26Å; E1623-L1645 VanDerWaalsContact OE2-N 3.08Å; L1624-L1645 HydrophobicContact CD2-CD2 3.51Å; L1627-L1645 HydrophobicContact CD1-CD2 3.9Å; L1627-L1645 HydrophobicContact CD1-CG 4.02Å; L1645-D1647 VanDerWaalsContact C-N 3.35Å; L1645-D1647 PolarHBondContact O-N 3.22Å; L1645-C1648 PolarHBondContact O-N 2.87Å; L1645-I1649 HydrophobicContact CD1-CD1 3.98Å; L1645-I1649 HydrophobicContact CG-CD1 3.92Å; L1645-I1649 PolarHBondContact O-N 2.89Å; L1645-L1668 HydrophobicContact CD1-CD1 3.89Å; L1645-L1668 HydrophobicContact CD1-CG 4.39Å; L1645-W1671 HydrophobicContact CB-CH2 4.07Å; L1645-W1671 HydrophobicContact CB-CZ2 3.79Å; L1645-W1671 HydrophobicContact CD1-CD2 4.28Å; L1645-W1671 HydrophobicContact CD1-CE3 3.96Å; L1645-W1671 HydrophobicContact CD1-CH2 4.38Å; L1645-W1671 HydrophobicContact CD1-CZ3 4.02Å; L1645-W1671 HydrophobicContact CD2-CH2 4.26Å; L1645-W1671 HydrophobicContact CD2-CZ3 4.45Å; L1645-W1671 HydrophobicContact CG-CH2 4.47Å
1646	H	57.5	Low	45.7	Very low	34 Å²	34	68.7 Å²	68.7	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-34.9	173.5	81.2	-89.8	0	0	0	112.6	I1630 H1644 I1649 H1650	I1630-H1646 HydrophobicContact CD1-CB 3.87Å; I1630-H1646 HydrophobicContact CG1-CB 4.42Å; H1644-H1646 VanDerWaalsContact CB-CE1 3.46Å; H1644-H1646 WeakPolarHBondContact CB-CE1 3.42Å; H1644-H1646 WeakPolarHBondContact CB-ND1 3.46Å; H1644-H1646 AromaticContact CG-CE1 3.87Å; H1644-H1646 AromaticContact CG-ND1 3.89Å; H1644-H1646 PolarHBondContact O-N 3.37Å; H1646-I1649 PolarHBondContact O-N 3.12Å; H1646-H1650 WeakPolarHBondContact O-CB 3.31Å; H1646-H1650 PolarHBondContact O-N 3.45Å
1647	D	55.2	Low	45.9	Very low	26 Å²	26	71 Å²	71	14%	0.139	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-46.2	174.1	-68.9	-61.2	0	0	0	111	I1643 H1644 L1645 I1649 H1650 L1651	I1643-D1647 HydrophobicContact CG2-CB 4.16Å; H1644-D1647 WeakPolarHBondContact CB-OD2 3.32Å; H1644-D1647 PolarHBondContact N-OD2 3.44Å; H1644-D1647 WeakPolarHBondContact O-CB 3.39Å; H1644-D1647 PolarHBondContact O-N 2.76Å; H1644-D1647 VanDerWaalsContact O-N 3.09Å; L1645-D1647 VanDerWaalsContact C-N 3.35Å; L1645-D1647 PolarHBondContact O-N 3.22Å; D1647-I1649 VanDerWaalsContact C-N 3.29Å; D1647-I1649 PolarHBondContact O-N 3.22Å; D1647-H1650 PolarHBondContact O-N 3.34Å; D1647-L1651 VanDerWaalsContact O-CB 3.28Å; D1647-L1651 WeakPolarHBondContact O-CB 3.22Å; D1647-L1651 PolarHBondContact O-N 2.95Å
1648	C	57.9	Low	46.1	Very low	3 Å²	3	71.9 Å²	71.9	2%	0.02	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-38	179.4	-69.1	0	0	0	0	112.5	H1644 L1645 L1651 V1652	H1644-C1648 PolarHBondContact O-N 2.99Å; L1645-C1648 PolarHBondContact O-N 2.87Å; C1648-L1651 WeakPolarHBondContact O-CB 3.37Å; C1648-V1652 WeakPolarHBondContact O-CG2 3.23Å; C1648-V1652 PolarHBondContact O-N 2.99Å
1649	I	57.2	Low	47	Very low	4 Å²	4	72 Å²	72	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-84.5	-33.9	-178.1	-67.2	157.7	0	0	0	111.2	V1577 L1627 L1645 H1646 D1647 L1651 V1652 K1653 F1664	V1577-I1649 HydrophobicContact CG1-CD1 4.19Å; V1577-I1649 HydrophobicContact CG1-CG1 4.16Å; V1577-I1649 HydrophobicContact CG1-CG2 4.33Å; V1577-I1649 HydrophobicContact CG2-CD1 3.5Å; V1577-I1649 HydrophobicContact CG2-CG1 4.26Å; L1627-I1649 HydrophobicContact CD1-CD1 3.58Å; L1627-I1649 HydrophobicContact CD2-CB 4.13Å; L1627-I1649 HydrophobicContact CD2-CD1 3.51Å; L1627-I1649 HydrophobicContact CD2-CG1 4.41Å; L1627-I1649 HydrophobicContact CD2-CG2 3.82Å; L1627-I1649 HydrophobicContact CG-CD1 4.02Å; L1645-I1649 HydrophobicContact CD1-CD1 3.98Å; L1645-I1649 HydrophobicContact CG-CD1 3.92Å; L1645-I1649 PolarHBondContact O-N 2.89Å; H1646-I1649 PolarHBondContact O-N 3.12Å; D1647-I1649 VanDerWaalsContact C-N 3.29Å; D1647-I1649 PolarHBondContact O-N 3.22Å; I1649-L1651 VanDerWaalsContact C-N 3.32Å; I1649-V1652 CarbonylContact O-C 3.59Å; I1649-V1652 PolarHBondContact O-N 2.59Å; I1649-V1652 VanDerWaalsContact O-N 3.08Å; I1649-K1653 PolarHBondContact O-N 3.4Å; I1649-F1664 HydrophobicContact CG1-CE2 3.73Å; I1649-F1664 HydrophobicContact CG1-CZ 4Å
1650	H	51.9	Low	48.2	Very low	34 Å²	34	68.8 Å²	68.8	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-32.6	172	-153.1	-23.3	0	0	0	111.6	I1636 H1646 D1647 V1652 N1654	I1636-H1650 HydrophobicContact CD1-CB 4.1Å; H1646-H1650 WeakPolarHBondContact O-CB 3.31Å; H1646-H1650 PolarHBondContact O-N 3.45Å; D1647-H1650 PolarHBondContact O-N 3.34Å; H1650-V1652 VanDerWaalsContact C-N 3.31Å; H1650-V1652 PolarHBondContact O-N 3.21Å; H1650-N1654 PolarHBondContact CE1-OD1 3.25Å; H1650-N1654 PolarHBondContact ND1-ND2 3.25Å; H1650-N1654 VanDerWaalsContact ND1-ND2 3.18Å; H1650-N1654 PolarHBondContact ND1-OD1 2.84Å; H1650-N1654 WeakPolarHBondContact O-CB 3.36Å; H1650-N1654 PolarHBondContact O-N 2.79Å; H1650-N1654 PolarHBondContact O-ND2 2.77Å
1651	L	53.2	Low	49.3	Very low	84 Å²	84	61.3 Å²	61.3	44%	0.44	32%	0.315	S	S	.	.	H	α-helix	trans	-56.3	-43.6	165.1	-96.1	157.9	0	0	0	111.6	D1647 C1648 I1649 I1655 L1667	D1647-L1651 VanDerWaalsContact O-CB 3.28Å; D1647-L1651 WeakPolarHBondContact O-CB 3.22Å; D1647-L1651 PolarHBondContact O-N 2.95Å; C1648-L1651 WeakPolarHBondContact O-CB 3.37Å; I1649-L1651 VanDerWaalsContact C-N 3.32Å; L1651-I1655 WeakPolarHBondContact O-CB 3.49Å; L1651-I1655 WeakPolarHBondContact O-CD1 3.41Å; L1651-I1655 WeakPolarHBondContact O-CG1 3.3Å; L1651-I1655 PolarHBondContact O-N 2.9Å; L1651-I1655 VanDerWaalsContact O-N 3.1Å; L1651-L1667 HydrophobicContact CD1-CD2 4.49Å
1652	V	52.2	Low	49.8	Very low	37 Å²	37	56.8 Å²	56.8	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-76.3	-41.4	-179.2	170.9	0	0	0	0	112.8	C1648 I1649 H1650 N1654 I1655 F1664 L1667	C1648-V1652 WeakPolarHBondContact O-CG2 3.23Å; C1648-V1652 PolarHBondContact O-N 2.99Å; I1649-V1652 CarbonylContact O-C 3.59Å; I1649-V1652 PolarHBondContact O-N 2.59Å; I1649-V1652 VanDerWaalsContact O-N 3.08Å; H1650-V1652 VanDerWaalsContact C-N 3.31Å; H1650-V1652 PolarHBondContact O-N 3.21Å; V1652-N1654 VanDerWaalsContact C-N 3.3Å; V1652-N1654 PolarHBondContact O-N 2.81Å; V1652-I1655 PolarHBondContact O-N 3.33Å; V1652-I1655 VanDerWaalsContact O-N 3.09Å; V1652-F1664 HydrophobicContact CB-CD2 4.44Å; V1652-F1664 HydrophobicContact CG1-CB 4.49Å; V1652-F1664 HydrophobicContact CG2-CB 3.89Å; V1652-F1664 HydrophobicContact CG2-CD2 3.69Å; V1652-F1664 HydrophobicContact CG2-CG 4.07Å; V1652-L1667 HydrophobicContact CG2-CD1 4.11Å
1653	K	49.5	Very low	50.6	Low	41 Å²	41	59.4 Å²	59.4	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-46.7	168.9	-82.4	-166.6	172.5	-175.1	0	110.1	L1581 E1584 E1631 I1649 I1655 E1656	L1581-K1653 HydrophobicContact CD2-CD 4.39Å; L1581-K1653 HydrophobicContact CD2-CG 4.16Å; E1584-K1653 IonicContact OE1-NZ 3.08Å; E1584-K1653 PolarHBondContact OE1-NZ 3.23Å; E1584-K1653 WeakPolarHBondContact OE2-CE 3.46Å; E1584-K1653 IonicContact OE2-NZ 3.59Å; E1584-K1653 PolarHBondContact OE2-NZ 2.58Å; E1631-K1653 IonicContact OE1-NZ 2.88Å; E1631-K1653 PolarHBondContact OE1-NZ 3.11Å; I1649-K1653 PolarHBondContact O-N 3.4Å; K1653-I1655 VanDerWaalsContact C-N 3.25Å; K1653-I1655 PolarHBondContact O-N 3.41Å; K1653-E1656 WeakPolarHBondContact O-CG 3.2Å; K1653-E1656 PolarHBondContact O-N 3.04Å
1654	N	41.9	Very low	51.3	Low	81 Å²	81	55.1 Å²	55.1	43%	0.433	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8	178.2	-64.9	-13.8	0	0	0	115	H1650 V1652	H1650-N1654 PolarHBondContact CE1-OD1 3.25Å; H1650-N1654 PolarHBondContact ND1-ND2 3.25Å; H1650-N1654 VanDerWaalsContact ND1-ND2 3.18Å; H1650-N1654 PolarHBondContact ND1-OD1 2.84Å; H1650-N1654 WeakPolarHBondContact O-CB 3.36Å; H1650-N1654 PolarHBondContact O-N 2.79Å; H1650-N1654 PolarHBondContact O-ND2 2.77Å; V1652-N1654 VanDerWaalsContact C-N 3.3Å; V1652-N1654 PolarHBondContact O-N 2.81Å
1655	I	42.8	Very low	51.6	Low	59 Å²	59	53.9 Å²	53.9	30%	0.303	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.3	177.4	-85.1	165.6	0	0	0	112.4	K1065 L1651 V1652 K1653	K1065-I1655 PolarHBondContact NZ-O 3.25Å; L1651-I1655 WeakPolarHBondContact O-CB 3.49Å; L1651-I1655 WeakPolarHBondContact O-CD1 3.41Å; L1651-I1655 WeakPolarHBondContact O-CG1 3.3Å; L1651-I1655 PolarHBondContact O-N 2.9Å; L1651-I1655 VanDerWaalsContact O-N 3.1Å; V1652-I1655 PolarHBondContact O-N 3.33Å; V1652-I1655 VanDerWaalsContact O-N 3.09Å; K1653-I1655 VanDerWaalsContact C-N 3.25Å; K1653-I1655 PolarHBondContact O-N 3.41Å
1656	E	33.3	Very low	51.9	Low	115 Å²	115	62.1 Å²	62.1	54%	0.537	30%	0.304	S	S	.	.			trans	29.1	121.2	169.7	-69.6	-152.9	137.9	0	0	118.4	K1653	K1653-E1656 WeakPolarHBondContact O-CG 3.2Å; K1653-E1656 PolarHBondContact O-N 3.04Å
1657	T	40.4	Very low	52.1	Low	104 Å²	104	63.1 Å²	63.1	64%	0.638	31%	0.31	S	S	*	.	S	Bend	trans	73.8	39.5	164.7	73.9	0	0	0	0	118.1	K1069	K1069-T1657 PolarHBondContact NZ-O 3.09Å; K1069-T1657 PolarHBondContact NZ-OG1 3.21Å
1658	L	34.5	Very low	52.7	Low	120 Å²	120	61.9 Å²	61.9	63%	0.628	30%	0.304	S	S	*	.	S	Bend	trans	-144.7	145.7	164.2	-110.3	110.8	0	0	0	113.3	C1660	L1658-C1660 PolarHBondContact O-N 3.35Å
1659	N	46.5	Very low	53.2	Low	96 Å²	96	62.3 Å²	62.3	51%	0.513	31%	0.307	S	S	.	.			trans	-62.1	92	169.6	-70.6	17.8	0	0	0	109.7	G1540	G1540-N1659 PolarHBondContact O-ND2 3.14Å
1660	C	53.5	Low	53.7	Low	22 Å²	22	65.4 Å²	65.4	15%	0.149	33%	0.326	C	S	.	.			trans	-133.6	28.9	-171.7	-87.8	0	0	0	0	113	L1658 I1662 K1663 F1664	L1658-C1660 PolarHBondContact O-N 3.35Å; C1660-I1662 PolarHBondContact O-N 2.97Å; C1660-I1662 VanDerWaalsContact O-N 3.16Å; C1660-K1663 HydrophobicContact CB-CB 4.19Å; C1660-K1663 HydrophobicContact CB-CD 4.12Å; C1660-K1663 HydrophobicContact CB-CG 4.21Å; C1660-K1663 WeakPolarHBondContact O-CA 3.2Å; C1660-K1663 WeakPolarHBondContact O-CB 3.05Å; C1660-K1663 PolarHBondContact O-N 3.48Å; C1660-K1663 VanDerWaalsContact SG-CD 3.6Å; C1660-K1663 VanDerWaalsContact SG-CE 3.57Å; C1660-F1664 PolarHBondContact O-N 3.34Å
1661	W	57	Low	54.7	Low	57 Å²	57	64.2 Å²	64.2	22%	0.216	32%	0.32	C	S	.	.	H	α-helix	trans	-49.7	-35.6	166.3	-67.3	104.5	0	0	0	111.9	L1539 V1574 K1578 K1663 F1664 Y1665	L1539-W1661 HydrophobicContact CB-CB 4.23Å; L1539-W1661 HydrophobicContact CB-CG 4.41Å; V1574-W1661 HydrophobicContact CG1-CE3 3.82Å; V1574-W1661 HydrophobicContact CG1-CZ3 4.01Å; K1578-W1661 HydrophobicContact CB-CH2 3.59Å; K1578-W1661 HydrophobicContact CB-CZ2 4.43Å; K1578-W1661 HydrophobicContact CB-CZ3 3.94Å; K1578-W1661 HydrophobicContact CD-CH2 3.73Å; K1578-W1661 HydrophobicContact CD-CZ2 3.77Å; K1578-W1661 HydrophobicContact CD-CZ3 4.22Å; K1578-W1661 HydrophobicContact CG-CH2 3.57Å; K1578-W1661 HydrophobicContact CG-CZ2 3.91Å; K1578-W1661 HydrophobicContact CG-CZ3 4.28Å; W1661-K1663 PolarHBondContact O-N 2.92Å; W1661-F1664 AromaticContact CE3-CD1 3.92Å; W1661-F1664 HydrophobicContact CE3-CD1 3.92Å; W1661-F1664 AromaticContact CZ3-CD1 3.93Å; W1661-F1664 HydrophobicContact CZ3-CD1 3.93Å; W1661-F1664 HydrophobicContact CZ3-CE1 4.2Å; W1661-F1664 PolarHBondContact O-N 3.45Å; W1661-Y1665 WeakPolarHBondContact O-CB 3.42Å; W1661-Y1665 PolarHBondContact O-N 3.2Å
1662	I	54.9	Low	55.2	Low	77 Å²	77	60.4 Å²	60.4	40%	0.395	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-34.5	173.2	-59.7	172.1	0	0	0	112.9	I1536 C1660 R1666	I1536-I1662 HydrophobicContact CG2-CD1 4.49Å; I1536-I1662 HydrophobicContact CG2-CG1 3.97Å; C1660-I1662 PolarHBondContact O-N 2.97Å; C1660-I1662 VanDerWaalsContact O-N 3.16Å; I1662-R1666 VanDerWaalsContact O-CG 3.28Å; I1662-R1666 WeakPolarHBondContact O-CG 3.46Å; I1662-R1666 PolarHBondContact O-N 3.49Å
1663	K	57.6	Low	55.9	Low	112 Å²	112	63.7 Å²	63.7	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-77.2	-38.7	174.8	-65.1	-175	-173.4	165.6	0	111.5	C1660 W1661 R1666 L1667	C1660-K1663 HydrophobicContact CB-CB 4.19Å; C1660-K1663 HydrophobicContact CB-CD 4.12Å; C1660-K1663 HydrophobicContact CB-CG 4.21Å; C1660-K1663 WeakPolarHBondContact O-CA 3.2Å; C1660-K1663 WeakPolarHBondContact O-CB 3.05Å; C1660-K1663 PolarHBondContact O-N 3.48Å; C1660-K1663 VanDerWaalsContact SG-CD 3.6Å; C1660-K1663 VanDerWaalsContact SG-CE 3.57Å; W1661-K1663 PolarHBondContact O-N 2.92Å; K1663-R1666 PolarHBondContact O-N 3.45Å; K1663-L1667 WeakPolarHBondContact O-CB 3.38Å; K1663-L1667 WeakPolarHBondContact O-CG 3.36Å; K1663-L1667 PolarHBondContact O-N 2.85Å
1664	F	63.4	Low	56.5	Low	1 Å²	1	64.7 Å²	64.7	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-47.2	175.8	178.1	-136.4	0	0	0	111.1	V1574 V1577 I1649 V1652 C1660 W1661 R1666 L1667 L1668	V1574-F1664 HydrophobicContact CB-CE1 4.44Å; V1574-F1664 HydrophobicContact CG2-CD1 3.98Å; V1574-F1664 HydrophobicContact CG2-CE1 3.88Å; V1577-F1664 HydrophobicContact CB-CE1 3.88Å; V1577-F1664 HydrophobicContact CB-CZ 3.78Å; V1577-F1664 HydrophobicContact CG1-CE1 3.77Å; V1577-F1664 HydrophobicContact CG1-CZ 3.61Å; V1577-F1664 HydrophobicContact CG2-CZ 3.96Å; I1649-F1664 HydrophobicContact CG1-CE2 3.73Å; I1649-F1664 HydrophobicContact CG1-CZ 4Å; V1652-F1664 HydrophobicContact CB-CD2 4.44Å; V1652-F1664 HydrophobicContact CG1-CB 4.49Å; V1652-F1664 HydrophobicContact CG2-CB 3.89Å; V1652-F1664 HydrophobicContact CG2-CD2 3.69Å; V1652-F1664 HydrophobicContact CG2-CG 4.07Å; C1660-F1664 PolarHBondContact O-N 3.34Å; W1661-F1664 AromaticContact CE3-CD1 3.92Å; W1661-F1664 HydrophobicContact CE3-CD1 3.92Å; W1661-F1664 AromaticContact CZ3-CD1 3.93Å; W1661-F1664 HydrophobicContact CZ3-CD1 3.93Å; W1661-F1664 HydrophobicContact CZ3-CE1 4.2Å; W1661-F1664 PolarHBondContact O-N 3.45Å; F1664-R1666 PolarHBondContact O-N 3.26Å; F1664-L1667 PolarHBondContact O-N 2.73Å; F1664-L1668 HydrophobicContact CE1-CD1 4.39Å; F1664-L1668 HydrophobicContact CE2-CB 4.4Å; F1664-L1668 HydrophobicContact CE2-CD1 3.61Å; F1664-L1668 HydrophobicContact CZ-CD1 3.5Å; F1664-L1668 VanDerWaalsContact CZ-CD1 3.5Å; F1664-L1668 WeakPolarHBondContact O-CB 3.38Å; F1664-L1668 PolarHBondContact O-N 2.93Å
1665	Y	64.8	Low	57.6	Low	25 Å²	25	62.2 Å²	62.2	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-47.2	-58.1	169.5	-173.3	-72.3	0	0	0	110.5	I1536 D1567 V1570 I1571 W1661 L1667 L1668 S1669	I1536-Y1665 HydrophobicContact CD1-CD2 4.23Å; I1536-Y1665 HydrophobicContact CD1-CE1 4.39Å; I1536-Y1665 HydrophobicContact CD1-CE2 3.64Å; I1536-Y1665 HydrophobicContact CG1-CD2 4.1Å; I1536-Y1665 HydrophobicContact CG1-CE2 3.82Å; D1567-Y1665 WeakPolarHBondContact CB-OH 3.39Å; D1567-Y1665 WeakPolarHBondContact OD1-CE1 3.38Å; D1567-Y1665 PolarHBondContact OD1-OH 3.34Å; V1570-Y1665 HydrophobicContact CB-CE2 4.31Å; V1570-Y1665 HydrophobicContact CG1-CD1 4.03Å; V1570-Y1665 HydrophobicContact CG1-CD2 3.45Å; V1570-Y1665 VanDerWaalsContact CG1-CD2 3.45Å; V1570-Y1665 HydrophobicContact CG1-CE1 4.21Å; V1570-Y1665 HydrophobicContact CG1-CE2 3.68Å; V1570-Y1665 HydrophobicContact CG1-CG 3.64Å; I1571-Y1665 HydrophobicContact CG1-CE2 4.31Å; W1661-Y1665 WeakPolarHBondContact O-CB 3.42Å; W1661-Y1665 PolarHBondContact O-N 3.2Å; Y1665-L1667 PolarHBondContact O-N 3.2Å; Y1665-L1668 CarbonylContact O-C 3.57Å; Y1665-L1668 PolarHBondContact O-N 3.45Å; Y1665-S1669 WeakPolarHBondContact CD1-OG 3.4Å; Y1665-S1669 WeakPolarHBondContact CE1-OG 3.19Å; Y1665-S1669 PolarHBondContact O-N 2.81Å; Y1665-S1669 PolarHBondContact O-OG 3.49Å
1666	R	64.3	Low	58.5	Low	172 Å²	172	61.7 Å²	61.7	65%	0.649	30%	0.301	S	S	*	.	H	α-helix	trans	-59.7	-40.1	-179.8	-72.8	173	-177.2	-166.9	1	113.9	I1662 K1663 F1664 L1668 V1670	I1662-R1666 VanDerWaalsContact O-CG 3.28Å; I1662-R1666 WeakPolarHBondContact O-CG 3.46Å; I1662-R1666 PolarHBondContact O-N 3.49Å; K1663-R1666 PolarHBondContact O-N 3.45Å; F1664-R1666 PolarHBondContact O-N 3.26Å; R1666-L1668 VanDerWaalsContact C-N 3.32Å; R1666-V1670 WeakPolarHBondContact O-CB 3.46Å; R1666-V1670 VanDerWaalsContact O-CG2 3.31Å; R1666-V1670 WeakPolarHBondContact O-CG2 3.47Å; R1666-V1670 PolarHBondContact O-N 3.18Å; R1666-V1670 VanDerWaalsContact O-N 3.08Å
1667	L	63.1	Low	60	Low	55 Å²	55	64.1 Å²	64.1	29%	0.288	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-40.2	175.2	-80.7	164.3	0	0	0	111.3	L1651 V1652 K1663 F1664 Y1665 W1671	L1651-L1667 HydrophobicContact CD1-CD2 4.49Å; V1652-L1667 HydrophobicContact CG2-CD1 4.11Å; K1663-L1667 WeakPolarHBondContact O-CB 3.38Å; K1663-L1667 WeakPolarHBondContact O-CG 3.36Å; K1663-L1667 PolarHBondContact O-N 2.85Å; F1664-L1667 PolarHBondContact O-N 2.73Å; Y1665-L1667 PolarHBondContact O-N 3.2Å; L1667-W1671 WeakPolarHBondContact O-CB 3.39Å; L1667-W1671 PolarHBondContact O-N 2.93Å
1668	L	66.1	Low	60.9	Low	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-79.5	-31.9	-177.2	-158.8	145	0	0	0	112.1	V1570 L1573 L1645 F1664 Y1665 R1666 W1671 L1672	V1570-L1668 HydrophobicContact CB-CD2 4.2Å; V1570-L1668 HydrophobicContact CG1-CD2 4.18Å; V1570-L1668 HydrophobicContact CG2-CD2 3.94Å; L1573-L1668 HydrophobicContact CB-CD1 4.01Å; L1573-L1668 HydrophobicContact CB-CD2 3.69Å; L1573-L1668 HydrophobicContact CD1-CD2 3.85Å; L1573-L1668 HydrophobicContact CG-CD2 4.42Å; L1645-L1668 HydrophobicContact CD1-CD1 3.89Å; L1645-L1668 HydrophobicContact CD1-CG 4.39Å; F1664-L1668 HydrophobicContact CE1-CD1 4.39Å; F1664-L1668 HydrophobicContact CE2-CB 4.4Å; F1664-L1668 HydrophobicContact CE2-CD1 3.61Å; F1664-L1668 HydrophobicContact CZ-CD1 3.5Å; F1664-L1668 VanDerWaalsContact CZ-CD1 3.5Å; F1664-L1668 WeakPolarHBondContact O-CB 3.38Å; F1664-L1668 PolarHBondContact O-N 2.93Å; Y1665-L1668 CarbonylContact O-C 3.57Å; Y1665-L1668 PolarHBondContact O-N 3.45Å; R1666-L1668 VanDerWaalsContact C-N 3.32Å; L1668-W1671 PolarHBondContact O-N 3.26Å; L1668-L1672 HydrophobicContact CD2-CD1 3.81Å; L1668-L1672 HydrophobicContact CD2-CG 4.34Å; L1668-L1672 WeakPolarHBondContact O-CB 3.48Å; L1668-L1672 PolarHBondContact O-N 2.88Å
1669	S	68.3	Low	61.8	Low	13 Å²	13	57.7 Å²	57.7	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-51.9	165.4	-51.9	0	0	0	0	110.5	Y1665 W1671 L1672 E1673	Y1665-S1669 WeakPolarHBondContact CD1-OG 3.4Å; Y1665-S1669 WeakPolarHBondContact CE1-OG 3.19Å; Y1665-S1669 PolarHBondContact O-N 2.81Å; Y1665-S1669 PolarHBondContact O-OG 3.49Å; S1669-W1671 VanDerWaalsContact C-N 3.3Å; S1669-W1671 PolarHBondContact O-N 3.47Å; S1669-L1672 PolarHBondContact O-N 3.17Å; S1669-E1673 WeakPolarHBondContact O-CB 3.48Å; S1669-E1673 WeakPolarHBondContact O-CG 3.46Å; S1669-E1673 PolarHBondContact O-N 3.44Å
1670	V	68.8	Low	61.9	Low	68 Å²	68	57.7 Å²	57.7	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-33.3	179.7	169.7	0	0	0	0	111.7	R1666 N1674	R1666-V1670 WeakPolarHBondContact O-CB 3.46Å; R1666-V1670 VanDerWaalsContact O-CG2 3.31Å; R1666-V1670 WeakPolarHBondContact O-CG2 3.47Å; R1666-V1670 PolarHBondContact O-N 3.18Å; R1666-V1670 VanDerWaalsContact O-N 3.08Å; V1670-N1674 WeakPolarHBondContact O-CB 3.5Å; V1670-N1674 PolarHBondContact O-N 3.11Å; V1670-N1674 VanDerWaalsContact O-N 3.11Å; V1670-N1674 PolarHBondContact O-ND2 2.89Å
1671	W	72	Confident	61.8	Low	10 Å²	10	60.3 Å²	60.3	4%	0.038	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-49.7	171.9	178.3	74.3	0	0	0	111.5	L1573 L1620 I1643 L1645 L1667 L1668 S1669 E1673 N1674 W1675	L1573-W1671 HydrophobicContact CD1-CZ3 4.17Å; L1620-W1671 HydrophobicContact CD1-CH2 4.38Å; I1643-W1671 PolarHBondContact O-NE1 2.82Å; L1645-W1671 HydrophobicContact CB-CH2 4.07Å; L1645-W1671 HydrophobicContact CB-CZ2 3.79Å; L1645-W1671 HydrophobicContact CD1-CD2 4.28Å; L1645-W1671 HydrophobicContact CD1-CE3 3.96Å; L1645-W1671 HydrophobicContact CD1-CH2 4.38Å; L1645-W1671 HydrophobicContact CD1-CZ3 4.02Å; L1645-W1671 HydrophobicContact CD2-CH2 4.26Å; L1645-W1671 HydrophobicContact CD2-CZ3 4.45Å; L1645-W1671 HydrophobicContact CG-CH2 4.47Å; L1667-W1671 WeakPolarHBondContact O-CB 3.39Å; L1667-W1671 PolarHBondContact O-N 2.93Å; L1668-W1671 PolarHBondContact O-N 3.26Å; S1669-W1671 VanDerWaalsContact C-N 3.3Å; S1669-W1671 PolarHBondContact O-N 3.47Å; W1671-E1673 PolarHBondContact O-N 3.34Å; W1671-N1674 PolarHBondContact O-N 2.85Å; W1671-W1675 HydrophobicContact CZ2-CG 4.46Å; W1671-W1675 VanDerWaalsContact O-CB 3.29Å; W1671-W1675 WeakPolarHBondContact O-CB 3.24Å; W1671-W1675 PolarHBondContact O-N 3.19Å
1672	L	65	Low	61.2	Low	4 Å²	4	62.3 Å²	62.3	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-42.6	176	-79.4	167.7	0	0	0	112.4	I1566 V1569 V1570 L1573 L1668 S1669 N1674 W1675 F1676	I1566-L1672 HydrophobicContact CG2-CB 3.81Å; I1566-L1672 HydrophobicContact CG2-CD1 4.09Å; V1569-L1672 HydrophobicContact CB-CD1 4.02Å; V1569-L1672 HydrophobicContact CG1-CD1 3.75Å; V1569-L1672 HydrophobicContact CG1-CD2 4.03Å; V1570-L1672 HydrophobicContact CG2-CD1 3.68Å; L1573-L1672 HydrophobicContact CD1-CD1 4.25Å; L1573-L1672 HydrophobicContact CD1-CD2 4.27Å; L1668-L1672 HydrophobicContact CD2-CD1 3.81Å; L1668-L1672 HydrophobicContact CD2-CG 4.34Å; L1668-L1672 WeakPolarHBondContact O-CB 3.48Å; L1668-L1672 PolarHBondContact O-N 2.88Å; S1669-L1672 PolarHBondContact O-N 3.17Å; L1672-N1674 VanDerWaalsContact C-N 3.34Å; L1672-N1674 PolarHBondContact O-N 2.94Å; L1672-W1675 HydrophobicContact CD2-CE3 4.32Å; L1672-W1675 PolarHBondContact O-N 3.03Å; L1672-F1676 HydrophobicContact CB-CD2 4.39Å; L1672-F1676 HydrophobicContact CD2-CE2 4.47Å; L1672-F1676 VanDerWaalsContact O-CB 3.31Å; L1672-F1676 WeakPolarHBondContact O-CB 3.49Å; L1672-F1676 VanDerWaalsContact O-CD2 3.23Å; L1672-F1676 WeakPolarHBondContact O-CD2 3.47Å; L1672-F1676 PolarHBondContact O-N 3.26Å
1673	E	65.4	Low	60.5	Low	106 Å²	106	61.1 Å²	61.1	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-56.1	-47.6	174.6	-78.7	178.5	173.3	0	0	111.5	I1566 S1669 W1671 R1677	I1566-E1673 HydrophobicContact CD1-CB 4.37Å; I1566-E1673 HydrophobicContact CD1-CG 3.54Å; S1669-E1673 WeakPolarHBondContact O-CB 3.48Å; S1669-E1673 WeakPolarHBondContact O-CG 3.46Å; S1669-E1673 PolarHBondContact O-N 3.44Å; W1671-E1673 PolarHBondContact O-N 3.34Å; E1673-R1677 VanDerWaalsContact O-CB 3.24Å; E1673-R1677 WeakPolarHBondContact O-CB 3.48Å; E1673-R1677 PolarHBondContact O-N 2.92Å
1674	N	64.1	Low	59.7	Low	62 Å²	62	59 Å²	59	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-37.8	177.9	-76.4	-62.8	0	0	0	112.2	V1670 W1671 L1672 R1677 Q1678	V1670-N1674 WeakPolarHBondContact O-CB 3.5Å; V1670-N1674 PolarHBondContact O-N 3.11Å; V1670-N1674 VanDerWaalsContact O-N 3.11Å; V1670-N1674 PolarHBondContact O-ND2 2.89Å; W1671-N1674 PolarHBondContact O-N 2.85Å; L1672-N1674 VanDerWaalsContact C-N 3.34Å; L1672-N1674 PolarHBondContact O-N 2.94Å; N1674-R1677 WeakPolarHBondContact O-CB 3.27Å; N1674-R1677 PolarHBondContact O-N 3.25Å; N1674-Q1678 WeakPolarHBondContact O-CB 3.33Å; N1674-Q1678 WeakPolarHBondContact O-CG 3.42Å; N1674-Q1678 PolarHBondContact O-N 3.45Å
1675	W	63.9	Low	58.5	Low	28 Å²	28	66.1 Å²	66.1	11%	0.106	32%	0.316	C	S	.	.	H	α-helix	trans	-67.5	-43.9	177.1	178.7	87.3	0	0	0	111.9	F1612 Y1616 Y1619 W1671 L1672 R1677 Q1678 S1679	F1612-W1675 HydrophobicContact CD1-CH2 4.44Å; F1612-W1675 HydrophobicContact CE1-CH2 4.29Å; F1612-W1675 HydrophobicContact CE1-CZ3 4.08Å; Y1616-W1675 AromaticContact CD1-CH2 3.56Å; Y1616-W1675 HydrophobicContact CD1-CH2 3.56Å; Y1616-W1675 AromaticContact CD1-CZ2 3.61Å; Y1616-W1675 HydrophobicContact CD1-CZ2 3.61Å; Y1616-W1675 HydrophobicContact CE1-CH2 4.28Å; Y1616-W1675 HydrophobicContact CE1-CZ2 4.39Å; Y1616-W1675 HydrophobicContact CG-CH2 4.02Å; Y1616-W1675 HydrophobicContact CG-CZ2 4.35Å; Y1619-W1675 HydrophobicContact CD1-CZ2 4.32Å; Y1619-W1675 AromaticContact CD1-NE1 3.41Å; Y1619-W1675 AromaticContact CE1-CD1 3.82Å; Y1619-W1675 AromaticContact CE1-NE1 3.21Å; W1671-W1675 HydrophobicContact CZ2-CG 4.46Å; W1671-W1675 VanDerWaalsContact O-CB 3.29Å; W1671-W1675 WeakPolarHBondContact O-CB 3.24Å; W1671-W1675 PolarHBondContact O-N 3.19Å; L1672-W1675 HydrophobicContact CD2-CE3 4.32Å; L1672-W1675 PolarHBondContact O-N 3.03Å; W1675-R1677 VanDerWaalsContact C-N 3.3Å; W1675-R1677 PolarHBondContact O-N 3.36Å; W1675-Q1678 PolarHBondContact O-N 3.07Å; W1675-S1679 WeakPolarHBondContact O-CB 3.17Å; W1675-S1679 PolarHBondContact O-N 3.43Å; W1675-S1679 PolarHBondContact O-OG 2.89Å
1676	F	61.7	Low	57.3	Low	49 Å²	49	71.2 Å²	71.2	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-37.8	170.6	-86.8	-63.9	0	0	0	111.9	I1566 F1612 L1672 S1679 N1680	I1566-F1676 HydrophobicContact CD1-CD2 4.07Å; I1566-F1676 HydrophobicContact CG1-CD2 4.03Å; I1566-F1676 HydrophobicContact CG1-CE2 3.95Å; F1612-F1676 AromaticContact CE1-CE1 3.84Å; F1612-F1676 HydrophobicContact CE1-CE1 3.84Å; F1612-F1676 AromaticContact CE1-CZ 3.64Å; F1612-F1676 HydrophobicContact CE1-CZ 3.64Å; F1612-F1676 HydrophobicContact CZ-CE1 4.26Å; F1612-F1676 AromaticContact CZ-CZ 3.65Å; F1612-F1676 HydrophobicContact CZ-CZ 3.65Å; L1672-F1676 HydrophobicContact CB-CD2 4.39Å; L1672-F1676 HydrophobicContact CD2-CE2 4.47Å; L1672-F1676 VanDerWaalsContact O-CB 3.31Å; L1672-F1676 WeakPolarHBondContact O-CB 3.49Å; L1672-F1676 VanDerWaalsContact O-CD2 3.23Å; L1672-F1676 WeakPolarHBondContact O-CD2 3.47Å; L1672-F1676 PolarHBondContact O-N 3.26Å; F1676-S1679 WeakPolarHBondContact CA-OG 3.02Å; F1676-S1679 PolarHBondContact O-OG 3.28Å; F1676-S1679 VanDerWaalsContact O-OG 3.13Å; F1676-N1680 WeakPolarHBondContact O-CB 3.35Å; F1676-N1680 VanDerWaalsContact O-CG 3.27Å; F1676-N1680 PolarHBondContact O-N 3.16Å; F1676-N1680 PolarHBondContact O-ND2 3.12Å
1677	R	64.3	Low	55.6	Low	166 Å²	166	71 Å²	71	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-66	-44.8	175.1	-172.3	177.2	-175.7	163.9	4.4	111.4	E1673 N1674 W1675 E1681	E1673-R1677 VanDerWaalsContact O-CB 3.24Å; E1673-R1677 WeakPolarHBondContact O-CB 3.48Å; E1673-R1677 PolarHBondContact O-N 2.92Å; N1674-R1677 WeakPolarHBondContact O-CB 3.27Å; N1674-R1677 PolarHBondContact O-N 3.25Å; W1675-R1677 VanDerWaalsContact C-N 3.3Å; W1675-R1677 PolarHBondContact O-N 3.36Å; R1677-E1681 WeakPolarHBondContact O-CB 3.44Å; R1677-E1681 WeakPolarHBondContact O-CG 3.32Å; R1677-E1681 PolarHBondContact O-N 3.39Å
1678	Q	60.5	Low	53.8	Low	75 Å²	75	73.4 Å²	73.4	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-39.4	176.9	-73.3	-176.9	3.4	0	0	112.3	N1674 W1675 E1681 I1682	N1674-Q1678 WeakPolarHBondContact O-CB 3.33Å; N1674-Q1678 WeakPolarHBondContact O-CG 3.42Å; N1674-Q1678 PolarHBondContact O-N 3.45Å; W1675-Q1678 PolarHBondContact O-N 3.07Å; Q1678-E1681 PolarHBondContact O-N 2.67Å; Q1678-I1682 WeakPolarHBondContact O-CB 3.36Å; Q1678-I1682 WeakPolarHBondContact O-CD1 3.44Å; Q1678-I1682 VanDerWaalsContact O-CG1 3.23Å; Q1678-I1682 WeakPolarHBondContact O-CG1 3.45Å; Q1678-I1682 PolarHBondContact O-N 3.03Å
1679	S	52.3	Low	52.2	Low	14 Å²	14	78.7 Å²	78.7	10%	0.098	41%	0.405	C	S	.	.	H	α-helix	trans	-69.1	-40.3	176.1	69.5	0	0	0	0	111.9	W1675 F1676 I1682 T1683	W1675-S1679 WeakPolarHBondContact O-CB 3.17Å; W1675-S1679 PolarHBondContact O-N 3.43Å; W1675-S1679 PolarHBondContact O-OG 2.89Å; F1676-S1679 WeakPolarHBondContact CA-OG 3.02Å; F1676-S1679 PolarHBondContact O-OG 3.28Å; F1676-S1679 VanDerWaalsContact O-OG 3.13Å; S1679-I1682 PolarHBondContact O-N 2.82Å; S1679-T1683 WeakPolarHBondContact O-CG2 3.42Å; S1679-T1683 PolarHBondContact O-N 2.91Å; S1679-T1683 PolarHBondContact O-OG1 2.86Å
1680	N	48.9	Very low	50.2	Low	95 Å²	95	88 Å²	88	51%	0.508	44%	0.444	S	S	.	.	H	α-helix	trans	-63.2	-39.7	170.2	-78.1	-48.5	0	0	0	111.9	F1676 T1683 S1684	F1676-N1680 WeakPolarHBondContact O-CB 3.35Å; F1676-N1680 VanDerWaalsContact O-CG 3.27Å; F1676-N1680 PolarHBondContact O-N 3.16Å; F1676-N1680 PolarHBondContact O-ND2 3.12Å; N1680-T1683 WeakPolarHBondContact CA-OG1 3.25Å; N1680-T1683 PolarHBondContact O-N 2.92Å; N1680-T1683 PolarHBondContact O-OG1 3.36Å; N1680-T1683 VanDerWaalsContact O-OG1 3.04Å; N1680-S1684 WeakPolarHBondContact O-CB 3.44Å; N1680-S1684 PolarHBondContact O-N 3.36Å; N1680-S1684 PolarHBondContact O-OG 3.03Å
1681	E	51	Low	48.2	Very low	77 Å²	77	91.8 Å²	91.8	36%	0.36	46%	0.461	S	S	.	.	H	α-helix	trans	-64.3	-39.4	172	-83.1	-169.2	-143.9	0	0	112.9	R1677 Q1678 T1683 S1684 K1685	R1677-E1681 WeakPolarHBondContact O-CB 3.44Å; R1677-E1681 WeakPolarHBondContact O-CG 3.32Å; R1677-E1681 PolarHBondContact O-N 3.39Å; Q1678-E1681 PolarHBondContact O-N 2.67Å; E1681-T1683 VanDerWaalsContact C-N 3.34Å; E1681-S1684 WeakPolarHBondContact CA-OG 3.39Å; E1681-S1684 PolarHBondContact O-N 3.03Å; E1681-S1684 PolarHBondContact O-OG 3.06Å; E1681-K1685 WeakPolarHBondContact O-CB 3.37Å; E1681-K1685 WeakPolarHBondContact O-CD 3.3Å; E1681-K1685 WeakPolarHBondContact O-CG 3.46Å; E1681-K1685 PolarHBondContact O-N 2.81Å; E1681-K1685 IonicContact OE2-NZ 2.71Å; E1681-K1685 PolarHBondContact OE2-NZ 3.45Å
1682	I	44.9	Very low	46.1	Very low	99 Å²	99	94 Å²	94	51%	0.508	49%	0.487	S	S	.	.	H	α-helix	trans	-67.7	-36.6	176.4	-70.6	162.7	0	0	0	110.4	Q1678 S1679 N1686	Q1678-I1682 WeakPolarHBondContact O-CB 3.36Å; Q1678-I1682 WeakPolarHBondContact O-CD1 3.44Å; Q1678-I1682 VanDerWaalsContact O-CG1 3.23Å; Q1678-I1682 WeakPolarHBondContact O-CG1 3.45Å; Q1678-I1682 PolarHBondContact O-N 3.03Å; S1679-I1682 PolarHBondContact O-N 2.82Å; I1682-N1686 WeakPolarHBondContact O-CB 3.34Å; I1682-N1686 PolarHBondContact O-N 3.03Å; I1682-N1686 PolarHBondContact O-ND2 3.26Å
1683	T	40.5	Very low	44.3	Very low	53 Å²	53	101.5 Å²	101.5	33%	0.325	53%	0.527	S	S	.	.	H	α-helix	trans	-75.4	-31.9	174.3	59.6	0	0	0	0	113.1	S1679 N1680 E1681 N1686 K1687	S1679-T1683 WeakPolarHBondContact O-CG2 3.42Å; S1679-T1683 PolarHBondContact O-N 2.91Å; S1679-T1683 PolarHBondContact O-OG1 2.86Å; N1680-T1683 WeakPolarHBondContact CA-OG1 3.25Å; N1680-T1683 PolarHBondContact O-N 2.92Å; N1680-T1683 PolarHBondContact O-OG1 3.36Å; N1680-T1683 VanDerWaalsContact O-OG1 3.04Å; E1681-T1683 VanDerWaalsContact C-N 3.34Å; T1683-N1686 CarbonylContact O-C 3.58Å; T1683-N1686 PolarHBondContact O-N 3.22Å; T1683-K1687 VanDerWaalsContact O-CB 3.24Å; T1683-K1687 WeakPolarHBondContact O-CB 3.4Å; T1683-K1687 VanDerWaalsContact O-CG 3.31Å; T1683-K1687 WeakPolarHBondContact O-CG 3.5Å; T1683-K1687 PolarHBondContact O-N 2.89Å
1684	S	40.9	Very low	42.5	Very low	68 Å²	68	103.6 Å²	103.6	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-76.9	-38.1	176.9	71.7	0	0	0	0	112.6	N1680 E1681 N1686 K1687	N1680-S1684 WeakPolarHBondContact O-CB 3.44Å; N1680-S1684 PolarHBondContact O-N 3.36Å; N1680-S1684 PolarHBondContact O-OG 3.03Å; E1681-S1684 WeakPolarHBondContact CA-OG 3.39Å; E1681-S1684 PolarHBondContact O-N 3.03Å; E1681-S1684 PolarHBondContact O-OG 3.06Å; S1684-N1686 PolarHBondContact O-N 3Å; S1684-K1687 CarbonylContact O-C 3.55Å; S1684-K1687 PolarHBondContact O-N 2.77Å
1685	K	38.6	Very low	40.7	Very low	149 Å²	149	108.9 Å²	108.9	65%	0.648	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-17.8	168	-71.4	162.5	177.7	160.8	0	112.6	E1681	E1681-K1685 WeakPolarHBondContact O-CB 3.37Å; E1681-K1685 WeakPolarHBondContact O-CD 3.3Å; E1681-K1685 WeakPolarHBondContact O-CG 3.46Å; E1681-K1685 PolarHBondContact O-N 2.81Å; E1681-K1685 IonicContact OE2-NZ 2.71Å; E1681-K1685 PolarHBondContact OE2-NZ 3.45Å
1686	N	37.8	Very low	39.1	Very low	132 Å²	132	117.2 Å²	117.2	71%	0.706	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	8.8	170.7	-72.5	-74.1	0	0	0	113.9	I1682 T1683 S1684	I1682-N1686 WeakPolarHBondContact O-CB 3.34Å; I1682-N1686 PolarHBondContact O-N 3.03Å; I1682-N1686 PolarHBondContact O-ND2 3.26Å; T1683-N1686 CarbonylContact O-C 3.58Å; T1683-N1686 PolarHBondContact O-N 3.22Å; S1684-N1686 PolarHBondContact O-N 3Å
1687	K	28.8	Very low	37.4	Very low	169 Å²	169	119.3 Å²	119.3	74%	0.735	62%	0.622	S	S	*	*	S	Bend	trans	-131.4	61.5	177.9	-77.4	-174	172.3	-174.6	0	112.4	T1683 S1684	T1683-K1687 VanDerWaalsContact O-CB 3.24Å; T1683-K1687 WeakPolarHBondContact O-CB 3.4Å; T1683-K1687 VanDerWaalsContact O-CG 3.31Å; T1683-K1687 WeakPolarHBondContact O-CG 3.5Å; T1683-K1687 PolarHBondContact O-N 2.89Å; S1684-K1687 CarbonylContact O-C 3.55Å; S1684-K1687 PolarHBondContact O-N 2.77Å
1688	S	26.8	Very low	35.5	Very low	104 Å²	104	117.7 Å²	117.7	73%	0.727	63%	0.625	S	S	*	*			trans	-148.9	106.1	150	55.4	0	0	0	0	112.4
1689	P	31.7	Very low	33.8	Very low	112 Å²	112	121.8 Å²	121.8	73%	0.727	65%	0.648	S	S	*	*			trans	-80.9	156.7	162.3	34.5	-33.1	0	0	0	110.5	L1691	P1689-L1691 PolarHBondContact O-N 2.95Å
1690	K	27.4	Very low	32.6	Very low	209 Å²	209	129.3 Å²	129.3	91%	0.909	68%	0.681	S	S	*	*	S	Bend	trans	36.9	62.1	156.2	-64	-176.9	175.2	179	0	117.6
1691	L	26	Very low	31.4	Very low	146 Å²	146	130.5 Å²	130.5	76%	0.764	69%	0.692	S	S	*	*			trans	-145.2	66.7	156.1	-149.6	81.6	0	0	0	114.2	P1689	P1689-L1691 PolarHBondContact O-N 2.95Å
1692	G	27.4	Very low	30.2	Very low	58 Å²	58	133 Å²	133	60%	0.598	71%	0.712	S	S	*	*			trans	-67.9	161.6	156.9	0	0	0	0	0	111.5
1693	N	28.5	Very low	29.2	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	73%	0.726	S	S	*	*	S	Bend	trans	94.2	-6.5	162.8	-51.1	-15.9	0	0	0	120.6
1694	Q	27.6	Very low	28.4	Very low	149 Å²	149	139.6 Å²	139.6	70%	0.696	75%	0.747	S	S	*	*	S	Bend	trans	-117	-9.7	-176.9	-80.6	-167.7	-16.5	0	0	119.2	S1697	Q1694-S1697 PolarHBondContact O-OG 3.26Å
1695	L	25.1	Very low	27.6	Very low	174 Å²	174	140.7 Å²	140.7	91%	0.911	76%	0.755	S	S	*	*	S	Bend	trans	-107.5	30	172.5	-83.8	166	0	0	0	113.5
1696	K	29.8	Very low	27	Very low	203 Å²	203	139.5 Å²	139.5	88%	0.883	76%	0.76	S	S	*	*	S	Bend	trans	-109.6	6.2	173.7	-122.9	-176.4	-177.1	-175.9	0	113.4
1697	S	26.2	Very low	26.4	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	77%	0.767	S	S	*	*	S	Bend	trans	-124	-5	-162.8	48.5	0	0	0	0	115.2	Q1694	Q1694-S1697 PolarHBondContact O-OG 3.26Å
1698	I	26	Very low	26.1	Very low	132 Å²	132	141.6 Å²	141.6	68%	0.677	77%	0.769	S	S	*	*	S	Bend	trans	-122.4	122.7	-177.8	-62.5	-179.7	0	0	0	109.3
1699	L	24.6	Very low	26.2	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	77%	0.772	S	S	*	*			trans	69.6	57.8	175	-61.7	169.2	0	0	0	117.4
1700	H	26.1	Very low	25.8	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.796	78%	0.779	S	S	*	*				-65.4	165.5	128.8	-104.1	-87.2	0	0	0	110.3
1701	T	24.7	Very low	25.8	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	77%	0.771	S	S	*	*			trans	92.9	150.3	165.9	75.5	0	0	0	0	119.1
1702	T	24.1	Very low	25.6	Very low	128 Å²	128	143.6 Å²	143.6	79%	0.785	77%	0.772	S	S	*	*			trans	60.8	79.7	176	54.8	0	0	0	0	119.1
1703	N	24.6	Very low	25.5	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	78%	0.784	S	S	*	*				29.9	155.6	106.6	-67.3	1.3	0	0	0	122.1
1704	N	24.8	Very low	25.3	Very low	142 Å²	142	151.8 Å²	151.8	76%	0.759	78%	0.784	S	S	*	*			trans	87.3	93.7	155.1	-68.6	0.1	0	0	0	119.6
1705	S	23.5	Very low	25.1	Very low	92 Å²	92	151 Å²	151	64%	0.643	78%	0.781	S	S	*	*				56.1	124.6	118.5	68	0	0	0	0	121
1706	T	25.3	Very low	25.1	Very low	123 Å²	123	149.4 Å²	149.4	76%	0.755	78%	0.778	S	S	*	*			trans	44.6	112.2	140	59.4	0	0	0	0	118.9
1707	I	25.6	Very low	24.8	Very low	167 Å²	167	146.5 Å²	146.5	86%	0.856	77%	0.765	S	S	*	*				-167.9	150.4	121.2	-100.6	153.1	0	0	0	112.7
1708	K	23	Very low	24.7	Very low	178 Å²	178	154.1 Å²	154.1	77%	0.774	78%	0.78	S	S	*	*			trans	-42.8	141.5	-178.5	-60.1	159.8	179.1	173.4	0	116.9
1709	I	28	Very low	24.6	Very low	153 Å²	153	153.1 Å²	153.1	79%	0.785	79%	0.785	S	S	*	*				38.1	111.2	124.3	-48.8	165.2	0	0	0	116.9
1710	K	22.9	Very low	24.6	Very low	203 Å²	203	155 Å²	155	88%	0.883	79%	0.786	S	S	*	*				-160.7	142.2	126.7	-110.9	168.4	-169.3	-178.4	0	112.5
1711	S	27.6	Very low	24.5	Very low	105 Å²	105	154.6 Å²	154.6	73%	0.734	79%	0.79	S	S	*	*			trans	-66.7	148.2	166.5	51.2	0	0	0	0	111.8
1712	I	23.1	Very low	24.5	Very low	153 Å²	153	152.8 Å²	152.8	79%	0.785	79%	0.787	S	S	*	*			trans	-163	140	149	-104.9	148.3	0	0	0	109.6
1713	N	25.1	Very low	24.5	Very low	158 Å²	158	153.1 Å²	153.1	85%	0.845	78%	0.784	S	S	*	*			trans	-67.6	148	174	-55.4	-32.5	0	0	0	110.5
1714	R	24.4	Very low	24.6	Very low	233 Å²	233	154.2 Å²	154.2	88%	0.879	79%	0.785	S	S	*	*			trans	-150.9	136.6	154.6	-116	161.3	-164.5	-174.1	2.7	113.3
1715	E	22.4	Very low	24.6	Very low	133 Å²	133	154.1 Å²	154.1	62%	0.621	79%	0.788	S	S	*	*			trans	-68.3	136.3	-178.4	-46.7	139.5	113.7	0	0	110.2	K1717	E1715-K1717 HydrophobicContact CB-CG 4.06Å; E1715-K1717 PolarHBondContact O-N 3.32Å; E1715-K1717 VanDerWaalsContact OE1-CE 3.29Å; E1715-K1717 WeakPolarHBondContact OE1-CE 3.49Å; E1715-K1717 IonicContact OE1-NZ 2.7Å; E1715-K1717 PolarHBondContact OE1-NZ 2.89Å; E1715-K1717 IonicContact OE2-NZ 2.76Å; E1715-K1717 PolarHBondContact OE2-NZ 3.4Å
1716	V	25.1	Very low	24.9	Very low	139 Å²	139	160.3 Å²	160.3	84%	0.842	80%	0.798	S	S	*	*			trans	-86.5	87.6	156.2	-178.5	0	0	0	0	106.9	W1718	V1716-W1718 PolarHBondContact O-N 3.14Å
1717	K	23.2	Very low	24.9	Very low	142 Å²	142	163 Å²	163	62%	0.617	80%	0.802	S	S	*	*			trans	-64.5	124.4	176.8	-80.9	178.5	163.3	113.5	0	109.8	E1715 S1719	E1715-K1717 HydrophobicContact CB-CG 4.06Å; E1715-K1717 PolarHBondContact O-N 3.32Å; E1715-K1717 VanDerWaalsContact OE1-CE 3.29Å; E1715-K1717 WeakPolarHBondContact OE1-CE 3.49Å; E1715-K1717 IonicContact OE1-NZ 2.7Å; E1715-K1717 PolarHBondContact OE1-NZ 2.89Å; E1715-K1717 IonicContact OE2-NZ 2.76Å; E1715-K1717 PolarHBondContact OE2-NZ 3.4Å; K1717-S1719 PolarHBondContact O-N 2.93Å
1718	W	24	Very low	25	Very low	253 Å²	253	161.9 Å²	161.9	96%	0.958	79%	0.793	S	S	*	*			trans	-64.7	100.5	163.5	-75	59	0	0	0	107.9	V1716 K1720	V1716-W1718 PolarHBondContact O-N 3.14Å; W1718-K1720 PolarHBondContact O-N 3.31Å
1719	S	24	Very low	25.2	Very low	112 Å²	112	160.3 Å²	160.3	78%	0.783	79%	0.786	S	S	*	*			trans	-70.3	117.1	179	51.7	0	0	0	0	109.6	K1717 N1721	K1717-S1719 PolarHBondContact O-N 2.93Å; S1719-N1721 PolarHBondContact O-N 3.23Å
1720	K	24.7	Very low	25.5	Very low	198 Å²	198	160.3 Å²	160.3	86%	0.861	79%	0.786	S	S	*	*			trans	-54.9	127.2	164.6	-67.8	-179.1	177.9	-177.6	0	109	W1718	W1718-K1720 PolarHBondContact O-N 3.31Å
1721	N	24.3	Very low	26	Very low	165 Å²	165	153.2 Å²	153.2	88%	0.882	76%	0.76	S	S	*	*			trans	-134.7	138.6	141	-100.8	-13.1	0	0	0	107.3	S1719	S1719-N1721 PolarHBondContact O-N 3.23Å
1722	A	25.7	Very low	26.3	Very low	83 Å²	83	154.7 Å²	154.7	69%	0.686	76%	0.76	S	S	*	*			trans	-96.8	173.1	173.2	0	0	0	0	0	109.6
1723	N	24.1	Very low	26.8	Very low	134 Å²	134	152.5 Å²	152.5	72%	0.717	75%	0.75	S	S	*	*			trans	73.2	106.1	166.3	-58.1	12.1	0	0	0	117.6
1724	E	25.9	Very low	27.2	Very low	173 Å²	173	146.1 Å²	146.1	81%	0.808	72%	0.721	S	S	*	*				76.8	165.1	124.4	-63.6	-175.6	123.3	0	0	121.5
1725	V	25.6	Very low	27.9	Very low	139 Å²	139	139.5 Å²	139.5	84%	0.842	70%	0.702	S	S	*	*			trans	78.4	131.6	172.1	-162.7	0	0	0	0	115.7
1726	R	28.7	Very low	28.7	Very low	223 Å²	223	139.5 Å²	139.5	84%	0.842	70%	0.702	S	S	*	*			trans	-81.6	161.9	177.9	-56.1	166.6	173.8	169.7	-4.4	109.4
1727	E	26.1	Very low	29.4	Very low	178 Å²	178	135.5 Å²	135.5	83%	0.832	68%	0.684	S	S	*	*				-168.6	159.9	109.3	-104.9	163.3	-153.2	0	0	113.9
1728	E	27.9	Very low	30	Very low	144 Å²	144	134.4 Å²	134.4	67%	0.673	68%	0.684	S	S	*	*			trans	-68.1	175	-174.4	-56.5	169	137.9	0	0	110.7
1729	F	27.2	Very low	30.9	Very low	146 Å²	146	126.7 Å²	126.7	64%	0.64	66%	0.661	S	S	*	*			cis	-155.5	151.9	31	-71.4	-94.3	0	0	0	112.3	T1731	F1729-T1731 HydrophobicContact CB-CG2 4.42Å; F1729-T1731 HydrophobicContact CD1-CG2 3.69Å; F1729-T1731 HydrophobicContact CE1-CG2 4.36Å; F1729-T1731 HydrophobicContact CG-CG2 4.36Å
1730	I	33.2	Very low	31.9	Very low	152 Å²	152	125.6 Å²	125.6	78%	0.779	65%	0.65	S	S	*	*				-128.3	119.5	124.3	-62.4	-176.9	0	0	0	105.7
1731	T	34.2	Very low	32.7	Very low	55 Å²	55	122 Å²	122	34%	0.337	64%	0.635	S	S	.	*			trans	-70.9	158.3	-169	53	0	0	0	0	113.2	F1729 D1733 G1734 I1735	F1729-T1731 HydrophobicContact CB-CG2 4.42Å; F1729-T1731 HydrophobicContact CD1-CG2 3.69Å; F1729-T1731 HydrophobicContact CE1-CG2 4.36Å; F1729-T1731 HydrophobicContact CG-CG2 4.36Å; T1731-D1733 PolarHBondContact O-N 3.11Å; T1731-G1734 WeakPolarHBondContact O-CA 3.23Å; T1731-G1734 PolarHBondContact O-N 3.04Å; T1731-G1734 PolarHBondContact OG1-N 2.62Å; T1731-I1735 PolarHBondContact O-N 3.24Å
1732	N	34.3	Very low	33.7	Very low	136 Å²	136	117.7 Å²	117.7	73%	0.727	62%	0.615	S	S	*	*	H	α-helix	trans	-52.4	-34.7	164.6	-90.7	-24.9	0	0	0	111.5	G1734 I1735 Q1736	N1732-G1734 VanDerWaalsContact C-N 3.27Å; N1732-G1734 PolarHBondContact O-N 2.62Å; N1732-I1735 CarbonylContact O-C 3.58Å; N1732-I1735 PolarHBondContact O-N 2.61Å; N1732-I1735 VanDerWaalsContact O-N 3.13Å; N1732-Q1736 PolarHBondContact O-N 2.4Å
1733	D	32.7	Very low	34.9	Very low	107 Å²	107	118.7 Å²	118.7	57%	0.572	61%	0.608	S	S	*	*	H	α-helix	trans	-62.8	-31.5	175.5	-41.6	-49.8	0	0	0	112.6	T1731 A1737	T1731-D1733 PolarHBondContact O-N 3.11Å; D1733-A1737 WeakPolarHBondContact O-CB 3.48Å; D1733-A1737 PolarHBondContact O-N 3.42Å
1734	G	34.1	Very low	36.6	Very low	23 Å²	23	118.8 Å²	118.8	24%	0.237	60%	0.599	C	S	.	*	H	α-helix	trans	-68	-38.1	173.2	0	0	0	0	0	112.5	T1731 N1732 L1738	T1731-G1734 WeakPolarHBondContact O-CA 3.23Å; T1731-G1734 PolarHBondContact O-N 3.04Å; T1731-G1734 PolarHBondContact OG1-N 2.62Å; N1732-G1734 VanDerWaalsContact C-N 3.27Å; N1732-G1734 PolarHBondContact O-N 2.62Å; G1734-L1738 WeakPolarHBondContact O-CD1 3.39Å; G1734-L1738 PolarHBondContact O-N 2.92Å
1735	I	38.6	Very low	37.3	Very low	95 Å²	95	113.1 Å²	113.1	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-74.1	-38.4	175.3	-63	173.7	0	0	0	110.6	T1731 N1732 L1738 N1739	T1731-I1735 PolarHBondContact O-N 3.24Å; N1732-I1735 CarbonylContact O-C 3.58Å; N1732-I1735 PolarHBondContact O-N 2.61Å; N1732-I1735 VanDerWaalsContact O-N 3.13Å; I1735-L1738 PolarHBondContact O-N 3.25Å; I1735-N1739 WeakPolarHBondContact O-CB 3.45Å; I1735-N1739 PolarHBondContact O-N 2.85Å; I1735-N1739 PolarHBondContact O-ND2 3.17Å
1736	Q	39.8	Very low	38.2	Very low	132 Å²	132	112.1 Å²	112.1	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-65.1	-39.4	171	-108.1	-173.8	4.3	0	0	111.8	N1732 N1739 T1740	N1732-Q1736 PolarHBondContact O-N 2.4Å; Q1736-N1739 PolarHBondContact O-N 3.26Å; Q1736-T1740 WeakPolarHBondContact O-CB 3.39Å; Q1736-T1740 PolarHBondContact O-N 3.17Å; Q1736-T1740 PolarHBondContact O-OG1 3.24Å
1737	A	39.1	Very low	39.4	Very low	56 Å²	56	107.6 Å²	107.6	46%	0.463	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-42.3	175.3	0	0	0	0	0	111.4	D1733 T1740 F1741	D1733-A1737 WeakPolarHBondContact O-CB 3.48Å; D1733-A1737 PolarHBondContact O-N 3.42Å; A1737-T1740 PolarHBondContact O-N 2.9Å; A1737-F1741 WeakPolarHBondContact O-CB 3.35Å; A1737-F1741 PolarHBondContact O-N 2.94Å
1738	L	36.8	Very low	40.5	Very low	118 Å²	118	102.7 Å²	102.7	62%	0.618	53%	0.529	S	S	*	.	H	α-helix	trans	-63.7	-46.2	172.7	-104.1	86.5	0	0	0	111.9	G1734 I1735 T1740 F1741 V1742	G1734-L1738 WeakPolarHBondContact O-CD1 3.39Å; G1734-L1738 PolarHBondContact O-N 2.92Å; I1735-L1738 PolarHBondContact O-N 3.25Å; L1738-T1740 VanDerWaalsContact C-N 3.32Å; L1738-T1740 PolarHBondContact O-N 3.34Å; L1738-F1741 PolarHBondContact O-N 2.77Å; L1738-V1742 WeakPolarHBondContact O-CB 3.49Å; L1738-V1742 VanDerWaalsContact O-CG2 3.3Å; L1738-V1742 WeakPolarHBondContact O-CG2 3.46Å; L1738-V1742 PolarHBondContact O-N 3.18Å
1739	N	42.3	Very low	41.1	Very low	91 Å²	91	105 Å²	105	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-36.2	178.3	-75.9	-31.3	0	0	0	112.1	I1735 Q1736 N1743	I1735-N1739 WeakPolarHBondContact O-CB 3.45Å; I1735-N1739 PolarHBondContact O-N 2.85Å; I1735-N1739 PolarHBondContact O-ND2 3.17Å; Q1736-N1739 PolarHBondContact O-N 3.26Å; N1739-N1743 VanDerWaalsContact O-CB 3.23Å; N1739-N1743 WeakPolarHBondContact O-CB 3.27Å; N1739-N1743 PolarHBondContact O-N 3.3Å; N1739-N1743 PolarHBondContact O-ND2 3.44Å
1740	T	45.5	Very low	42.1	Very low	90 Å²	90	102 Å²	102	55%	0.552	52%	0.522	S	S	*	.	H	α-helix	trans	-69.7	-38.5	174.1	-56.4	0	0	0	0	111	Q1736 A1737 L1738 W1744	Q1736-T1740 WeakPolarHBondContact O-CB 3.39Å; Q1736-T1740 PolarHBondContact O-N 3.17Å; Q1736-T1740 PolarHBondContact O-OG1 3.24Å; A1737-T1740 PolarHBondContact O-N 2.9Å; L1738-T1740 VanDerWaalsContact C-N 3.32Å; L1738-T1740 PolarHBondContact O-N 3.34Å; T1740-W1744 WeakPolarHBondContact O-CB 3.46Å; T1740-W1744 PolarHBondContact O-N 2.93Å
1741	F	41.3	Very low	43.2	Very low	123 Å²	123	98.3 Å²	98.3	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-69.6	-38.7	175.3	-175.5	-104	0	0	0	112.2	A1737 L1738 W1744 C1745	A1737-F1741 WeakPolarHBondContact O-CB 3.35Å; A1737-F1741 PolarHBondContact O-N 2.94Å; L1738-F1741 PolarHBondContact O-N 2.77Å; F1741-W1744 HydrophobicContact CD2-CE3 4.08Å; F1741-W1744 HydrophobicContact CD2-CZ3 4.46Å; F1741-W1744 HydrophobicContact CE2-CE3 4.01Å; F1741-W1744 AromaticContact CE2-CZ3 3.96Å; F1741-W1744 HydrophobicContact CE2-CZ3 3.96Å; F1741-W1744 PolarHBondContact O-N 3.14Å; F1741-C1745 WeakPolarHBondContact O-CB 3.39Å; F1741-C1745 PolarHBondContact O-N 3.43Å; F1741-C1745 PolarHBondContact O-SG 2.94Å
1742	V	45	Very low	43.8	Very low	74 Å²	74	101.8 Å²	101.8	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-68.3	-43.4	174.5	169.3	0	0	0	0	110.9	L1738 C1745 H1746	L1738-V1742 WeakPolarHBondContact O-CB 3.49Å; L1738-V1742 VanDerWaalsContact O-CG2 3.3Å; L1738-V1742 WeakPolarHBondContact O-CG2 3.46Å; L1738-V1742 PolarHBondContact O-N 3.18Å; V1742-C1745 PolarHBondContact O-N 3.04Å; V1742-H1746 PolarHBondContact O-N 2.94Å
1743	N	50.5	Low	44.2	Very low	104 Å²	104	100.2 Å²	100.2	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-42.6	172.3	-75	-23.8	0	0	0	111.3	N1739 H1746 E1747	N1739-N1743 VanDerWaalsContact O-CB 3.23Å; N1739-N1743 WeakPolarHBondContact O-CB 3.27Å; N1739-N1743 PolarHBondContact O-N 3.3Å; N1739-N1743 PolarHBondContact O-ND2 3.44Å; N1743-H1746 CarbonylContact O-C 3.57Å; N1743-H1746 WeakPolarHBondContact O-CB 3.32Å; N1743-H1746 PolarHBondContact O-N 2.64Å; N1743-E1747 PolarHBondContact O-N 3.49Å
1744	W	59.5	Low	45.1	Very low	135 Å²	135	102.9 Å²	102.9	51%	0.511	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-39.6	174.9	-178.3	82.6	0	0	0	111.8	T1740 F1741 H1746 E1747 Q1748	T1740-W1744 WeakPolarHBondContact O-CB 3.46Å; T1740-W1744 PolarHBondContact O-N 2.93Å; F1741-W1744 HydrophobicContact CD2-CE3 4.08Å; F1741-W1744 HydrophobicContact CD2-CZ3 4.46Å; F1741-W1744 HydrophobicContact CE2-CE3 4.01Å; F1741-W1744 AromaticContact CE2-CZ3 3.96Å; F1741-W1744 HydrophobicContact CE2-CZ3 3.96Å; F1741-W1744 PolarHBondContact O-N 3.14Å; W1744-H1746 VanDerWaalsContact C-N 3.35Å; W1744-H1746 PolarHBondContact O-N 3.44Å; W1744-E1747 PolarHBondContact O-N 3.26Å; W1744-Q1748 HydrophobicContact CD2-CG 3.81Å; W1744-Q1748 HydrophobicContact CE3-CG 4.24Å; W1744-Q1748 HydrophobicContact CG-CG 4.27Å; W1744-Q1748 HydrophobicContact CH2-CG 4.26Å; W1744-Q1748 HydrophobicContact CZ2-CG 3.83Å; W1744-Q1748 HydrophobicContact CZ3-CG 4.45Å; W1744-Q1748 VanDerWaalsContact O-CB 3.23Å; W1744-Q1748 WeakPolarHBondContact O-CB 3.49Å; W1744-Q1748 WeakPolarHBondContact O-CG 3.46Å; W1744-Q1748 PolarHBondContact O-N 2.82Å
1745	C	41.2	Very low	46.1	Very low	54 Å²	54	107.8 Å²	107.8	37%	0.365	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-37.4	171.9	-73.9	0	0	0	0	112.1	F1741 V1742 R1749	F1741-C1745 WeakPolarHBondContact O-CB 3.39Å; F1741-C1745 PolarHBondContact O-N 3.43Å; F1741-C1745 PolarHBondContact O-SG 2.94Å; V1742-C1745 PolarHBondContact O-N 3.04Å; C1745-R1749 VanDerWaalsContact O-CB 3.26Å; C1745-R1749 WeakPolarHBondContact O-CB 3.5Å; C1745-R1749 PolarHBondContact O-N 3.3Å
1746	H	45	Very low	46.6	Very low	119 Å²	119	108.3 Å²	108.3	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-67	-42.7	173.1	-109.1	-70	0	0	0	112.2	V1742 N1743 W1744 R1749 L1750	V1742-H1746 PolarHBondContact O-N 2.94Å; N1743-H1746 CarbonylContact O-C 3.57Å; N1743-H1746 WeakPolarHBondContact O-CB 3.32Å; N1743-H1746 PolarHBondContact O-N 2.64Å; W1744-H1746 VanDerWaalsContact C-N 3.35Å; W1744-H1746 PolarHBondContact O-N 3.44Å; H1746-R1749 PolarHBondContact O-N 3.28Å; H1746-L1750 WeakPolarHBondContact O-CB 3.07Å; H1746-L1750 WeakPolarHBondContact O-CG 3.47Å; H1746-L1750 PolarHBondContact O-N 2.94Å
1747	E	52.4	Low	47	Very low	127 Å²	127	104.3 Å²	104.3	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-69.1	-38.6	175.9	-75.2	-147.5	128.2	0	0	112.4	N1743 W1744 R1749 L1750 L1751	N1743-E1747 PolarHBondContact O-N 3.49Å; W1744-E1747 PolarHBondContact O-N 3.26Å; E1747-R1749 VanDerWaalsContact C-N 3.34Å; E1747-L1750 CarbonylContact O-C 3.5Å; E1747-L1750 PolarHBondContact O-N 3.42Å; E1747-L1751 WeakPolarHBondContact O-CA 3.24Å; E1747-L1751 VanDerWaalsContact O-CB 3.24Å; E1747-L1751 WeakPolarHBondContact O-CB 3.24Å; E1747-L1751 WeakPolarHBondContact O-CG 3.29Å; E1747-L1751 PolarHBondContact O-N 2.94Å
1748	Q	49.4	Very low	47.7	Very low	76 Å²	76	109 Å²	109	36%	0.355	52%	0.523	S	S	.	.	H	α-helix	trans	-66.5	-35.6	173.7	-74.1	-64.3	-39.1	0	0	111.7	W1744 L1751 K1752	W1744-Q1748 HydrophobicContact CD2-CG 3.81Å; W1744-Q1748 HydrophobicContact CE3-CG 4.24Å; W1744-Q1748 HydrophobicContact CG-CG 4.27Å; W1744-Q1748 HydrophobicContact CH2-CG 4.26Å; W1744-Q1748 HydrophobicContact CZ2-CG 3.83Å; W1744-Q1748 HydrophobicContact CZ3-CG 4.45Å; W1744-Q1748 VanDerWaalsContact O-CB 3.23Å; W1744-Q1748 WeakPolarHBondContact O-CB 3.49Å; W1744-Q1748 WeakPolarHBondContact O-CG 3.46Å; W1744-Q1748 PolarHBondContact O-N 2.82Å; Q1748-L1751 PolarHBondContact O-N 3.06Å; Q1748-K1752 WeakPolarHBondContact O-CB 3.42Å; Q1748-K1752 PolarHBondContact O-N 2.83Å
1749	R	41.1	Very low	48.3	Very low	192 Å²	192	106.1 Å²	106.1	73%	0.725	52%	0.517	S	S	*	.	H	α-helix	trans	-71	-37.8	173.2	-157.9	170.8	-170.3	175.5	1.8	111.4	C1745 H1746 E1747 L1753	C1745-R1749 VanDerWaalsContact O-CB 3.26Å; C1745-R1749 WeakPolarHBondContact O-CB 3.5Å; C1745-R1749 PolarHBondContact O-N 3.3Å; H1746-R1749 PolarHBondContact O-N 3.28Å; E1747-R1749 VanDerWaalsContact C-N 3.34Å; R1749-L1753 WeakPolarHBondContact O-CB 3.34Å; R1749-L1753 WeakPolarHBondContact O-CD1 3.48Å; R1749-L1753 VanDerWaalsContact O-CG 3.24Å; R1749-L1753 WeakPolarHBondContact O-CG 3.44Å; R1749-L1753 PolarHBondContact O-N 3.26Å
1750	L	47.7	Very low	48.5	Very low	84 Å²	84	107.1 Å²	107.1	44%	0.44	52%	0.518	S	S	.	.	H	α-helix	trans	-71.2	-31.2	171.8	-82.5	164	0	0	0	113.3	H1746 E1747 R1754	H1746-L1750 WeakPolarHBondContact O-CB 3.07Å; H1746-L1750 WeakPolarHBondContact O-CG 3.47Å; H1746-L1750 PolarHBondContact O-N 2.94Å; E1747-L1750 CarbonylContact O-C 3.5Å; E1747-L1750 PolarHBondContact O-N 3.42Å; L1750-R1754 WeakPolarHBondContact O-CB 3.4Å; L1750-R1754 WeakPolarHBondContact O-CD 3.4Å; L1750-R1754 WeakPolarHBondContact O-CG 3.46Å; L1750-R1754 PolarHBondContact O-N 3.15Å
1751	L	56.4	Low	48.8	Very low	73 Å²	73	108.3 Å²	108.3	38%	0.382	52%	0.518	S	S	.	.	H	α-helix	trans	-71	-49.8	173.9	-90.9	161.3	0	0	0	109.7	E1747 Q1748 L1753 R1754 E1755	E1747-L1751 WeakPolarHBondContact O-CA 3.24Å; E1747-L1751 VanDerWaalsContact O-CB 3.24Å; E1747-L1751 WeakPolarHBondContact O-CB 3.24Å; E1747-L1751 WeakPolarHBondContact O-CG 3.29Å; E1747-L1751 PolarHBondContact O-N 2.94Å; Q1748-L1751 PolarHBondContact O-N 3.06Å; L1751-L1753 VanDerWaalsContact C-N 3.31Å; L1751-L1753 PolarHBondContact O-N 3.35Å; L1751-R1754 CarbonylContact O-C 3.49Å; L1751-R1754 PolarHBondContact O-N 3.41Å; L1751-R1754 VanDerWaalsContact O-N 3.08Å; L1751-E1755 WeakPolarHBondContact O-CB 3.37Å; L1751-E1755 WeakPolarHBondContact O-CG 3.31Å; L1751-E1755 PolarHBondContact O-N 2.89Å
1752	K	46.7	Very low	49.3	Very low	128 Å²	128	107.4 Å²	107.4	56%	0.557	52%	0.518	S	S	*	.	H	α-helix	trans	-56.9	-42.9	172.4	-79.2	-169.1	172.3	-173.5	0	112.2	Q1748 E1755 Q1756	Q1748-K1752 WeakPolarHBondContact O-CB 3.42Å; Q1748-K1752 PolarHBondContact O-N 2.83Å; K1752-E1755 PolarHBondContact O-N 2.88Å; K1752-Q1756 WeakPolarHBondContact O-CB 3.45Å; K1752-Q1756 VanDerWaalsContact O-CG 3.32Å; K1752-Q1756 WeakPolarHBondContact O-CG 3.39Å; K1752-Q1756 PolarHBondContact O-N 2.66Å
1753	L	43.8	Very low	49.4	Very low	104 Å²	104	109.8 Å²	109.8	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-67.5	-34.7	175.1	-72.6	169	0	0	0	113.1	R1749 L1751 A1757	R1749-L1753 WeakPolarHBondContact O-CB 3.34Å; R1749-L1753 WeakPolarHBondContact O-CD1 3.48Å; R1749-L1753 VanDerWaalsContact O-CG 3.24Å; R1749-L1753 WeakPolarHBondContact O-CG 3.44Å; R1749-L1753 PolarHBondContact O-N 3.26Å; L1751-L1753 VanDerWaalsContact C-N 3.31Å; L1751-L1753 PolarHBondContact O-N 3.35Å; L1753-A1757 WeakPolarHBondContact O-CB 3.27Å; L1753-A1757 PolarHBondContact O-N 2.79Å
1754	R	50	Low	49.4	Very low	163 Å²	163	108.6 Å²	108.6	62%	0.615	52%	0.517	S	S	*	.	H	α-helix	trans	-76.2	-27.2	174.4	-78.1	171	171.6	173	-1.5	113.3	L1750 L1751 K1758	L1750-R1754 WeakPolarHBondContact O-CB 3.4Å; L1750-R1754 WeakPolarHBondContact O-CD 3.4Å; L1750-R1754 WeakPolarHBondContact O-CG 3.46Å; L1750-R1754 PolarHBondContact O-N 3.15Å; L1751-R1754 CarbonylContact O-C 3.49Å; L1751-R1754 PolarHBondContact O-N 3.41Å; L1751-R1754 VanDerWaalsContact O-N 3.08Å; R1754-K1758 WeakPolarHBondContact O-CB 3.36Å; R1754-K1758 WeakPolarHBondContact O-CG 3.45Å; R1754-K1758 PolarHBondContact O-N 3.33Å
1755	E	56.3	Low	49.1	Very low	125 Å²	125	105.8 Å²	105.8	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-82.8	-36.1	175.5	-74.3	-173.5	158.2	0	0	111.3	L1751 K1752 A1759	L1751-E1755 WeakPolarHBondContact O-CB 3.37Å; L1751-E1755 WeakPolarHBondContact O-CG 3.31Å; L1751-E1755 PolarHBondContact O-N 2.89Å; K1752-E1755 PolarHBondContact O-N 2.88Å; E1755-A1759 WeakPolarHBondContact O-CB 3.2Å; E1755-A1759 PolarHBondContact O-N 3.45Å
1756	Q	48	Very low	49.8	Very low	107 Å²	107	109.3 Å²	109.3	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-52.2	165.2	-74.8	-178	-100.4	0	0	110.2	K1752 K1758 A1759 E1760	K1752-Q1756 WeakPolarHBondContact O-CB 3.45Å; K1752-Q1756 VanDerWaalsContact O-CG 3.32Å; K1752-Q1756 WeakPolarHBondContact O-CG 3.39Å; K1752-Q1756 PolarHBondContact O-N 2.66Å; Q1756-K1758 VanDerWaalsContact C-N 3.32Å; Q1756-K1758 PolarHBondContact O-N 3.36Å; Q1756-A1759 PolarHBondContact O-N 2.96Å; Q1756-A1759 VanDerWaalsContact O-N 3.08Å; Q1756-E1760 WeakPolarHBondContact O-CB 3.42Å; Q1756-E1760 WeakPolarHBondContact O-CG 3.37Å; Q1756-E1760 PolarHBondContact O-N 3.02Å
1757	A	48.2	Very low	49.8	Very low	48 Å²	48	107.9 Å²	107.9	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-59.9	-38.9	176.7	0	0	0	0	0	112.6	L1753 Q1761	L1753-A1757 WeakPolarHBondContact O-CB 3.27Å; L1753-A1757 PolarHBondContact O-N 2.79Å; A1757-Q1761 WeakPolarHBondContact O-CB 3.23Å; A1757-Q1761 PolarHBondContact O-N 2.89Å
1758	K	54.9	Low	49.3	Very low	154 Å²	154	107.8 Å²	107.8	67%	0.67	51%	0.514	S	S	*	.	H	α-helix	trans	-69.4	-37.2	173.1	-83.6	179.5	174.3	-174.2	0	113.1	R1754 Q1756 L1762	R1754-K1758 WeakPolarHBondContact O-CB 3.36Å; R1754-K1758 WeakPolarHBondContact O-CG 3.45Å; R1754-K1758 PolarHBondContact O-N 3.33Å; Q1756-K1758 VanDerWaalsContact C-N 3.32Å; Q1756-K1758 PolarHBondContact O-N 3.36Å; K1758-L1762 WeakPolarHBondContact O-CB 3.37Å; K1758-L1762 PolarHBondContact O-N 3.46Å
1759	A	49.9	Very low	49.3	Very low	58 Å²	58	110 Å²	110	48%	0.479	53%	0.525	S	S	.	.	H	α-helix	trans	-67.6	-46.1	177.1	0	0	0	0	0	110.2	E1755 Q1756 L1762 H1763	E1755-A1759 WeakPolarHBondContact O-CB 3.2Å; E1755-A1759 PolarHBondContact O-N 3.45Å; Q1756-A1759 PolarHBondContact O-N 2.96Å; Q1756-A1759 VanDerWaalsContact O-N 3.08Å; A1759-L1762 CarbonylContact O-C 3.59Å; A1759-L1762 PolarHBondContact O-N 3.44Å; A1759-H1763 WeakPolarHBondContact O-CB 3.45Å; A1759-H1763 PolarHBondContact O-N 3.28Å
1760	E	46.4	Very low	49.5	Very low	111 Å²	111	107 Å²	107	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-60.2	-48.8	173.4	-71.9	162.7	-165.7	0	0	110.9	Q1756 L1762 H1763 I1764	Q1756-E1760 WeakPolarHBondContact O-CB 3.42Å; Q1756-E1760 WeakPolarHBondContact O-CG 3.37Å; Q1756-E1760 PolarHBondContact O-N 3.02Å; E1760-L1762 PolarHBondContact O-N 2.8Å; E1760-H1763 PolarHBondContact O-N 3.16Å; E1760-I1764 WeakPolarHBondContact O-CB 3.15Å; E1760-I1764 WeakPolarHBondContact O-CD1 3.41Å; E1760-I1764 WeakPolarHBondContact O-CG1 3.28Å; E1760-I1764 PolarHBondContact O-N 3.44Å
1761	Q	50.2	Low	49.3	Very low	116 Å²	116	106.9 Å²	106.9	54%	0.542	52%	0.518	S	S	.	.	H	α-helix	trans	-57.5	-47.2	175.1	-163.7	83.8	57.8	0	0	111.4	A1757 H1763 I1764 D1765	A1757-Q1761 WeakPolarHBondContact O-CB 3.23Å; A1757-Q1761 PolarHBondContact O-N 2.89Å; Q1761-H1763 VanDerWaalsContact C-N 3.32Å; Q1761-H1763 PolarHBondContact O-N 3.05Å; Q1761-I1764 PolarHBondContact O-N 3.1Å; Q1761-D1765 WeakPolarHBondContact O-CB 3.39Å; Q1761-D1765 PolarHBondContact O-N 3.48Å
1762	L	53.2	Low	48.7	Very low	103 Å²	103	107.4 Å²	107.4	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-75.2	-20.1	-178.8	-164.8	135.3	0	0	0	113	K1758 A1759 E1760 K1766	K1758-L1762 WeakPolarHBondContact O-CB 3.37Å; K1758-L1762 PolarHBondContact O-N 3.46Å; A1759-L1762 CarbonylContact O-C 3.59Å; A1759-L1762 PolarHBondContact O-N 3.44Å; E1760-L1762 PolarHBondContact O-N 2.8Å; L1762-K1766 HydrophobicContact CD2-CD 4.2Å; L1762-K1766 WeakPolarHBondContact O-CB 3.33Å; L1762-K1766 VanDerWaalsContact O-CG 3.24Å; L1762-K1766 WeakPolarHBondContact O-CG 3.23Å; L1762-K1766 PolarHBondContact O-N 2.9Å; L1762-K1766 VanDerWaalsContact O-N 3.16Å
1763	H	47.4	Very low	48.5	Very low	124 Å²	124	106 Å²	106	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-82.2	-34.2	171.1	-156.9	-45.2	0	0	0	111.3	A1759 E1760 Q1761 L1767	A1759-H1763 WeakPolarHBondContact O-CB 3.45Å; A1759-H1763 PolarHBondContact O-N 3.28Å; E1760-H1763 PolarHBondContact O-N 3.16Å; Q1761-H1763 VanDerWaalsContact C-N 3.32Å; Q1761-H1763 PolarHBondContact O-N 3.05Å; H1763-L1767 VanDerWaalsContact O-CB 3.32Å; H1763-L1767 WeakPolarHBondContact O-CB 3.43Å; H1763-L1767 WeakPolarHBondContact O-CD1 3.42Å; H1763-L1767 VanDerWaalsContact O-CG 3.31Å; H1763-L1767 WeakPolarHBondContact O-CG 3.4Å; H1763-L1767 PolarHBondContact O-N 3.13Å
1764	I	49.7	Very low	48.4	Very low	79 Å²	79	104.6 Å²	104.6	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-43.9	170.6	-72.1	164	0	0	0	110.4	E1760 Q1761 L1767 K1768	E1760-I1764 WeakPolarHBondContact O-CB 3.15Å; E1760-I1764 WeakPolarHBondContact O-CD1 3.41Å; E1760-I1764 WeakPolarHBondContact O-CG1 3.28Å; E1760-I1764 PolarHBondContact O-N 3.44Å; Q1761-I1764 PolarHBondContact O-N 3.1Å; I1764-L1767 PolarHBondContact O-N 2.65Å; I1764-K1768 HydrophobicContact CG2-CD 4.26Å; I1764-K1768 WeakPolarHBondContact O-CB 3.41Å; I1764-K1768 WeakPolarHBondContact O-CG 3.31Å; I1764-K1768 PolarHBondContact O-N 3.34Å
1765	D	53.9	Low	47.8	Very low	77 Å²	77	101.7 Å²	101.7	41%	0.412	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-36.8	178.3	-67.8	-23.8	0	0	0	111.1	Q1761 K1768 Q1769	Q1761-D1765 WeakPolarHBondContact O-CB 3.39Å; Q1761-D1765 PolarHBondContact O-N 3.48Å; D1765-K1768 PolarHBondContact O-N 3.09Å; D1765-Q1769 PolarHBondContact O-N 3.26Å
1766	K	54.2	Low	46.9	Very low	128 Å²	128	102.2 Å²	102.2	56%	0.557	51%	0.506	S	S	*	.	H	α-helix	trans	-66	-41.9	169.2	-80.9	179.1	175.9	-175.3	0	113.3	L1762 K1768 Q1769 H1770	L1762-K1766 HydrophobicContact CD2-CD 4.2Å; L1762-K1766 WeakPolarHBondContact O-CB 3.33Å; L1762-K1766 VanDerWaalsContact O-CG 3.24Å; L1762-K1766 WeakPolarHBondContact O-CG 3.23Å; L1762-K1766 PolarHBondContact O-N 2.9Å; L1762-K1766 VanDerWaalsContact O-N 3.16Å; K1766-K1768 VanDerWaalsContact C-N 3.3Å; K1766-K1768 PolarHBondContact O-N 3.44Å; K1766-Q1769 PolarHBondContact O-N 2.87Å; K1766-H1770 PolarHBondContact O-N 3.2Å
1767	L	45.3	Very low	46.4	Very low	89 Å²	89	103.4 Å²	103.4	47%	0.466	51%	0.512	S	S	.	.	H	α-helix	trans	-60.4	-42.2	173.1	-84.5	162.2	0	0	0	110.8	H1763 I1764 Q1769 H1770 I1771	H1763-L1767 VanDerWaalsContact O-CB 3.32Å; H1763-L1767 WeakPolarHBondContact O-CB 3.43Å; H1763-L1767 WeakPolarHBondContact O-CD1 3.42Å; H1763-L1767 VanDerWaalsContact O-CG 3.31Å; H1763-L1767 WeakPolarHBondContact O-CG 3.4Å; H1763-L1767 PolarHBondContact O-N 3.13Å; I1764-L1767 PolarHBondContact O-N 2.65Å; L1767-Q1769 PolarHBondContact O-N 3.22Å; L1767-H1770 PolarHBondContact O-N 3.47Å; L1767-I1771 WeakPolarHBondContact O-CB 3.35Å; L1767-I1771 WeakPolarHBondContact O-CD1 3.48Å; L1767-I1771 WeakPolarHBondContact O-CG1 3.33Å; L1767-I1771 PolarHBondContact O-N 3.33Å
1768	K	42.3	Very low	45.8	Very low	124 Å²	124	105.6 Å²	105.6	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-36.5	175.1	-75.9	177.6	177	-176.7	0	113.1	I1764 D1765 K1766 N1772	I1764-K1768 HydrophobicContact CG2-CD 4.26Å; I1764-K1768 WeakPolarHBondContact O-CB 3.41Å; I1764-K1768 WeakPolarHBondContact O-CG 3.31Å; I1764-K1768 PolarHBondContact O-N 3.34Å; D1765-K1768 PolarHBondContact O-N 3.09Å; K1766-K1768 VanDerWaalsContact C-N 3.3Å; K1766-K1768 PolarHBondContact O-N 3.44Å; K1768-N1772 WeakPolarHBondContact O-CB 3.48Å; K1768-N1772 PolarHBondContact O-N 2.94Å; K1768-N1772 VanDerWaalsContact O-N 3.09Å; K1768-N1772 PolarHBondContact O-ND2 2.89Å
1769	Q	49.4	Very low	44.7	Very low	124 Å²	124	104.5 Å²	104.5	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-64.6	-51.8	170.9	-73.3	-170.8	-70.9	0	0	111.4	D1765 K1766 L1767 I1771 N1772 E1773	D1765-Q1769 PolarHBondContact O-N 3.26Å; K1766-Q1769 PolarHBondContact O-N 2.87Å; L1767-Q1769 PolarHBondContact O-N 3.22Å; Q1769-I1771 VanDerWaalsContact C-N 3.35Å; Q1769-I1771 PolarHBondContact O-N 3.34Å; Q1769-N1772 CarbonylContact O-C 3.56Å; Q1769-N1772 PolarHBondContact O-N 3.16Å; Q1769-N1772 VanDerWaalsContact O-N 3.14Å; Q1769-E1773 WeakPolarHBondContact O-CG 3.22Å; Q1769-E1773 PolarHBondContact O-N 2.99Å
1770	H	45.6	Very low	43.9	Very low	128 Å²	128	107.8 Å²	107.8	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-65.1	-32.8	-179.2	-104.6	3.8	0	0	0	114.1	K1766 L1767 E1773 T1774	K1766-H1770 PolarHBondContact O-N 3.2Å; L1767-H1770 PolarHBondContact O-N 3.47Å; H1770-E1773 IonicContact CE1-OE2 3.68Å; H1770-E1773 IonicContact CG-OE2 3.94Å; H1770-E1773 IonicContact ND1-OE2 2.85Å; H1770-E1773 PolarHBondContact ND1-OE2 2.93Å; H1770-E1773 PolarHBondContact O-N 2.82Å; H1770-T1774 WeakPolarHBondContact O-CB 3.49Å; H1770-T1774 WeakPolarHBondContact O-CG2 3.5Å; H1770-T1774 PolarHBondContact O-N 3.12Å; H1770-T1774 PolarHBondContact O-OG1 2.84Å
1771	I	44.1	Very low	43.2	Very low	81 Å²	81	110.2 Å²	110.2	42%	0.415	54%	0.54	S	S	.	.	H	α-helix	trans	-66.6	-46.8	171.8	-68.5	164.1	0	0	0	109.6	L1767 Q1769 E1773 T1774 E1775	L1767-I1771 WeakPolarHBondContact O-CB 3.35Å; L1767-I1771 WeakPolarHBondContact O-CD1 3.48Å; L1767-I1771 WeakPolarHBondContact O-CG1 3.33Å; L1767-I1771 PolarHBondContact O-N 3.33Å; Q1769-I1771 VanDerWaalsContact C-N 3.35Å; Q1769-I1771 PolarHBondContact O-N 3.34Å; I1771-E1773 PolarHBondContact O-N 3.18Å; I1771-T1774 PolarHBondContact O-N 2.7Å; I1771-T1774 PolarHBondContact O-OG1 3.17Å; I1771-E1775 HydrophobicContact CG2-CG 4.17Å; I1771-E1775 WeakPolarHBondContact O-CB 3.42Å; I1771-E1775 WeakPolarHBondContact O-CG 3.39Å; I1771-E1775 PolarHBondContact O-N 3.23Å
1772	N	42.6	Very low	42.2	Very low	85 Å²	85	113.6 Å²	113.6	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-63.3	-21	175.1	-88.9	-97.4	0	0	0	114.4	K1768 Q1769 K1776	K1768-N1772 WeakPolarHBondContact O-CB 3.48Å; K1768-N1772 PolarHBondContact O-N 2.94Å; K1768-N1772 VanDerWaalsContact O-N 3.09Å; K1768-N1772 PolarHBondContact O-ND2 2.89Å; Q1769-N1772 CarbonylContact O-C 3.56Å; Q1769-N1772 PolarHBondContact O-N 3.16Å; Q1769-N1772 VanDerWaalsContact O-N 3.14Å; N1772-K1776 VanDerWaalsContact O-CD 3.22Å; N1772-K1776 WeakPolarHBondContact O-CD 3.34Å; N1772-K1776 VanDerWaalsContact O-CG 3.24Å; N1772-K1776 WeakPolarHBondContact O-CG 3.42Å
1773	E	44.2	Very low	41	Very low	98 Å²	98	116.9 Å²	116.9	46%	0.458	57%	0.568	S	S	.	*	H	α-helix	trans	-84.3	-50.1	173.9	-72	167	160.8	0	0	110.9	Q1769 H1770 I1771 E1775 K1776 E1777	Q1769-E1773 WeakPolarHBondContact O-CG 3.22Å; Q1769-E1773 PolarHBondContact O-N 2.99Å; H1770-E1773 IonicContact CE1-OE2 3.68Å; H1770-E1773 IonicContact CG-OE2 3.94Å; H1770-E1773 IonicContact ND1-OE2 2.85Å; H1770-E1773 PolarHBondContact ND1-OE2 2.93Å; H1770-E1773 PolarHBondContact O-N 2.82Å; I1771-E1773 PolarHBondContact O-N 3.18Å; E1773-E1775 PolarHBondContact O-N 2.9Å; E1773-K1776 WeakPolarHBondContact O-CB 3.48Å; E1773-K1776 PolarHBondContact O-N 3.38Å; E1773-K1776 VanDerWaalsContact O-N 3.12Å; E1773-E1777 PolarHBondContact O-N 3.37Å
1774	T	41	Very low	40.1	Very low	74 Å²	74	117.9 Å²	117.9	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-69.5	-31.7	-178.9	49.5	0	0	0	0	113.9	H1770 I1771 E1777 T1778	H1770-T1774 WeakPolarHBondContact O-CB 3.49Å; H1770-T1774 WeakPolarHBondContact O-CG2 3.5Å; H1770-T1774 PolarHBondContact O-N 3.12Å; H1770-T1774 PolarHBondContact O-OG1 2.84Å; I1771-T1774 PolarHBondContact O-N 2.7Å; I1771-T1774 PolarHBondContact O-OG1 3.17Å; T1774-E1777 PolarHBondContact O-N 3.43Å; T1774-T1778 WeakPolarHBondContact O-CG2 3.42Å; T1774-T1778 PolarHBondContact O-N 3.5Å; T1774-T1778 PolarHBondContact O-OG1 3Å
1775	E	37	Very low	39.2	Very low	103 Å²	103	120.9 Å²	120.9	48%	0.481	60%	0.599	S	S	.	*	H	α-helix	trans	-65.7	-38.1	168.9	-72	-177.8	141.6	0	0	111.5	I1771 E1773 T1778 I1779	I1771-E1775 HydrophobicContact CG2-CG 4.17Å; I1771-E1775 WeakPolarHBondContact O-CB 3.42Å; I1771-E1775 WeakPolarHBondContact O-CG 3.39Å; I1771-E1775 PolarHBondContact O-N 3.23Å; E1773-E1775 PolarHBondContact O-N 2.9Å; E1775-T1778 WeakPolarHBondContact CA-OG1 3.23Å; E1775-T1778 PolarHBondContact O-OG1 3.19Å; E1775-I1779 VanDerWaalsContact O-CB 3.25Å; E1775-I1779 WeakPolarHBondContact O-CB 3.48Å; E1775-I1779 WeakPolarHBondContact O-CD1 3.34Å; E1775-I1779 WeakPolarHBondContact O-CG1 3.36Å; E1775-I1779 PolarHBondContact O-N 3.14Å
1776	K	37.2	Very low	38.1	Very low	135 Å²	135	123.9 Å²	123.9	59%	0.587	62%	0.615	S	S	*	*	H	α-helix	trans	-68.2	-38.6	175.9	-76.9	175	-170.5	163.6	0	112.6	N1772 E1773 I1780	N1772-K1776 VanDerWaalsContact O-CD 3.22Å; N1772-K1776 WeakPolarHBondContact O-CD 3.34Å; N1772-K1776 VanDerWaalsContact O-CG 3.24Å; N1772-K1776 WeakPolarHBondContact O-CG 3.42Å; E1773-K1776 WeakPolarHBondContact O-CB 3.48Å; E1773-K1776 PolarHBondContact O-N 3.38Å; E1773-K1776 VanDerWaalsContact O-N 3.12Å; K1776-I1780 WeakPolarHBondContact O-CD1 3.35Å; K1776-I1780 VanDerWaalsContact O-CG1 3.25Å; K1776-I1780 WeakPolarHBondContact O-CG1 3.23Å
1777	E	37.6	Very low	36.9	Very low	133 Å²	133	124 Å²	124	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-71.1	-37.3	177.7	-68.8	-170.6	143.3	0	0	112.4	E1773 T1774	E1773-E1777 PolarHBondContact O-N 3.37Å; T1774-E1777 PolarHBondContact O-N 3.43Å
1778	T	35.5	Very low	36.3	Very low	94 Å²	94	125.7 Å²	125.7	58%	0.577	63%	0.631	S	S	*	*	H	α-helix	trans	-73.8	-39.5	177.7	47.5	0	0	0	0	113.4	T1774 E1775 I1780 Q1781	T1774-T1778 WeakPolarHBondContact O-CG2 3.42Å; T1774-T1778 PolarHBondContact O-N 3.5Å; T1774-T1778 PolarHBondContact O-OG1 3Å; E1775-T1778 WeakPolarHBondContact CA-OG1 3.23Å; E1775-T1778 PolarHBondContact O-OG1 3.19Å; T1778-I1780 PolarHBondContact O-N 2.89Å; T1778-I1780 VanDerWaalsContact O-N 3.17Å; T1778-Q1781 PolarHBondContact O-N 3.42Å
1779	I	31.9	Very low	35.7	Very low	130 Å²	130	126.1 Å²	126.1	67%	0.667	64%	0.639	S	S	*	*	H	α-helix	trans	-64.6	-18.1	176.8	-71.7	167.9	0	0	0	112.7	E1775	E1775-I1779 VanDerWaalsContact O-CB 3.25Å; E1775-I1779 WeakPolarHBondContact O-CB 3.48Å; E1775-I1779 WeakPolarHBondContact O-CD1 3.34Å; E1775-I1779 WeakPolarHBondContact O-CG1 3.36Å; E1775-I1779 PolarHBondContact O-N 3.14Å
1780	I	32.7	Very low	34.8	Very low	127 Å²	127	126 Å²	126	65%	0.651	64%	0.643	S	S	*	*	H	α-helix	trans	-87.3	-22.4	178.6	-72.3	172.6	0	0	0	113	K1776 T1778	K1776-I1780 WeakPolarHBondContact O-CD1 3.35Å; K1776-I1780 VanDerWaalsContact O-CG1 3.25Å; K1776-I1780 WeakPolarHBondContact O-CG1 3.23Å; T1778-I1780 PolarHBondContact O-N 2.89Å; T1778-I1780 VanDerWaalsContact O-N 3.17Å
1781	Q	32.2	Very low	34	Very low	163 Å²	163	125.9 Å²	125.9	76%	0.762	65%	0.645	S	S	*	*	H	α-helix	trans	-101.1	-22	-169.1	-67.5	-168.1	4.2	0	0	116.5	T1778 K1783	T1778-Q1781 PolarHBondContact O-N 3.42Å; Q1781-K1783 PolarHBondContact O-N 3.32Å
1782	M	29	Very low	33.3	Very low	186 Å²	186	128.6 Å²	128.6	92%	0.916	66%	0.656	S	S	*	*	S	Bend	trans	-97.4	42.9	178.5	-67.8	-170.3	173.8	0	0	113.4
1783	K	27.5	Very low	32.6	Very low	173 Å²	173	131.5 Å²	131.5	75%	0.752	67%	0.667	S	S	*	*			trans	-113.2	21.6	-172.3	-149.5	175.5	-175.4	175.3	0	114.3	Q1781	Q1781-K1783 PolarHBondContact O-N 3.32Å
1784	N	29.2	Very low	31.8	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	68%	0.677	S	S	*	*			trans	-145.1	160.4	-175.9	-78.1	-54	0	0	0	111.7
1785	V	32	Very low	31.2	Very low	142 Å²	142	138.2 Å²	138.2	86%	0.861	69%	0.69	S	S	*	*			trans	77	94.2	-177.9	-166.4	0	0	0	0	113.6
1786	N	29.2	Very low	30.6	Very low	139 Å²	139	138.4 Å²	138.4	74%	0.743	70%	0.698	S	S	*	*			trans	-95.9	-162.7	171.7	-65.8	-21.4	0	0	0	110.3
1787	N	30.5	Very low	30.1	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	71%	0.71	S	S	*	*			trans	78.7	139.8	162	-64.1	62.3	0	0	0	115.3
1788	D	31.9	Very low	29.5	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	72%	0.716	S	S	*	*			cis	-164.8	160.1	-5.2	-92	-14.7	0	0	0	105.7
1789	D	29.3	Very low	29.1	Very low	132 Å²	132	143.5 Å²	143.5	71%	0.706	73%	0.733	S	S	*	*			cis	-158.1	-174.2	-6.6	-137.3	-33.1	0	0	0	110.7
1790	D	30.6	Very low	28.7	Very low	123 Å²	123	144.8 Å²	144.8	66%	0.658	74%	0.741	S	S	*	*			trans	78.5	115.4	145.6	-89.1	-15	0	0	0	123.5
1791	I	28.4	Very low	28.8	Very low	125 Å²	125	143.9 Å²	143.9	64%	0.641	74%	0.743	S	S	*	*				72.1	124.6	125	-67.5	173.1	0	0	0	119.1
1792	Q	30.2	Very low	28.6	Very low	138 Å²	138	141.7 Å²	141.7	65%	0.645	74%	0.743	S	S	*	*			cis	-157.8	136.9	-1.7	-116.7	169	35.4	0	0	112.4
1793	Q	28.1	Very low	28.4	Very low	146 Å²	146	139.9 Å²	139.9	68%	0.682	74%	0.736	S	S	*	*				48.9	146.6	127.9	-64.6	-179.8	19.1	0	0	121.3
1794	H	27.8	Very low	28.2	Very low	145 Å²	145	137.8 Å²	137.8	67%	0.671	73%	0.733	S	S	*	*			cis	-173.8	160.3	1.3	-109.1	-28.6	0	0	0	107.2
1795	K	27.5	Very low	28.1	Very low	167 Å²	167	138.6 Å²	138.6	73%	0.726	73%	0.732	S	S	*	*			cis	-142.6	156.5	-3	-85.3	133.3	-176	173.6	0	106.7
1796	V	24.9	Very low	27.8	Very low	108 Å²	108	139.7 Å²	139.7	66%	0.655	73%	0.733	S	S	*	*			cis	83.4	85.3	14.2	-167	0	0	0	0	116.5
1797	V	27.2	Very low	27.5	Very low	136 Å²	136	141.4 Å²	141.4	82%	0.824	74%	0.736	S	S	*	*			trans	-137.7	91.7	147.8	-178.6	0	0	0	0	106.2
1798	M	23.4	Very low	27.2	Very low	153 Å²	153	147.2 Å²	147.2	75%	0.754	75%	0.748	S	S	*	*				63.6	101.3	88.6	-81.7	-163.3	-76.1	0	0	116.4
1799	L	27.4	Very low	26.8	Very low	179 Å²	179	146.8 Å²	146.8	94%	0.937	75%	0.754	S	S	*	*				-166.1	164.5	116.5	-99.5	165.2	0	0	0	110.8
1800	L	23.8	Very low	26.5	Very low	158 Å²	158	145.9 Å²	145.9	83%	0.827	75%	0.752	S	S	*	*			trans	-134.2	169.8	-168.4	-76.1	160.7	0	0	0	111.1
1801	P	34.8	Very low	26.1	Very low	107 Å²	107	145.1 Å²	145.1	70%	0.695	75%	0.752	S	S	*	*			cis	-114.3	-98.8	-34.8	24.7	-2	0	0	0	109
1802	P	27.1	Very low	25.9	Very low	117 Å²	117	149 Å²	149	76%	0.76	76%	0.758	S	S	*	*			cis	-98.6	-132.9	-13.8	41.9	-33	0	0	0	112.3
1803	L	25.3	Very low	25.5	Very low	148 Å²	148	150.2 Å²	150.2	78%	0.775	77%	0.769	S	S	*	*			trans	-136.1	148.8	178.9	-59.4	85.7	0	0	0	111.5
1804	N	24.5	Very low	25.3	Very low	129 Å²	129	146.7 Å²	146.7	69%	0.69	77%	0.772	S	S	*	*				179.7	156.1	114.5	-107.6	34.3	0	0	0	112.1
1805	E	25.5	Very low	25.2	Very low	163 Å²	163	148.7 Å²	148.7	76%	0.762	78%	0.781	S	S	*	*			trans	48.5	99.5	158.4	-68.5	154.4	-117.4	0	0	116.2
1806	L	26	Very low	25.1	Very low	165 Å²	165	145.6 Å²	145.6	86%	0.864	78%	0.781	S	S	*	*			cis	61.5	134.7	34.4	-126.4	170.2	0	0	0	112.9
1807	E	23.3	Very low	25.2	Very low	174 Å²	174	149.4 Å²	149.4	81%	0.813	79%	0.785	S	S	*	*			trans	68.3	104.5	-173.8	-56.1	-162.4	152.3	0	0	118.3
1808	R	24.9	Very low	25.2	Very low	254 Å²	254	148.8 Å²	148.8	96%	0.958	78%	0.781	S	S	*	*				-159.2	112.3	119	-111.9	167.2	-161.2	-158.8	2.2	114
1809	C	22.7	Very low	25.3	Very low	116 Å²	116	147.6 Å²	147.6	78%	0.784	78%	0.782	S	S	*	*			trans	-89.2	154.7	173.3	-61.7	0	0	0	0	111.6
1810	V	22.4	Very low	25.2	Very low	112 Å²	112	148.3 Å²	148.3	68%	0.679	78%	0.781	S	S	*	*			trans	52.7	110	133.2	175.5	0	0	0	0	118.4
1811	V	23.6	Very low	25.3	Very low	108 Å²	108	152.4 Å²	152.4	66%	0.655	79%	0.785	S	S	*	*			trans	57.1	126	142.7	178.7	0	0	0	0	118.9
1812	R	23	Very low	24.9	Very low	205 Å²	205	159.2 Å²	159.2	77%	0.774	80%	0.797	S	S	*	*			trans	-152.1	139.3	141.3	-115.9	162.4	-147.2	-153.2	1.8	114.8
1813	L	22.9	Very low	24.8	Very low	164 Å²	164	163.4 Å²	163.4	86%	0.859	80%	0.803	S	S	*	*			trans	-81.9	151.1	158.1	-65.1	129.5	0	0	0	108.9
1814	G	23.3	Very low	24.8	Very low	72 Å²	72	161.6 Å²	161.6	74%	0.742	80%	0.802	S	S	*	*			trans	85.7	143.8	146.3	0	0	0	0	0	120.1
1815	E	25.3	Very low	24.9	Very low	187 Å²	187	160.8 Å²	160.8	87%	0.874	81%	0.805	S	S	*	*			trans	70.8	90.9	144.6	-55.7	-169	175.6	0	0	121.5
1816	S	25.8	Very low	24.8	Very low	102 Å²	102	162.2 Å²	162.2	71%	0.713	81%	0.809	S	S	*	*				56.6	133.2	124.4	72.3	0	0	0	0	124.2
1817	Y	26.9	Very low	24.7	Very low	189 Å²	189	159.9 Å²	159.9	74%	0.741	80%	0.801	S	S	*	*			trans	70.1	130.7	153.2	-87	-72	0	0	0	120.9
1818	V	27	Very low	24.7	Very low	122 Å²	122	159.5 Å²	159.5	74%	0.739	80%	0.8	S	S	*	*				149.3	111.8	125.6	167.9	0	0	0	0	114.7
1819	T	26.9	Very low	24.8	Very low	128 Å²	128	153.8 Å²	153.8	79%	0.785	79%	0.788	S	S	*	*			trans	50.2	132.6	154.7	60.6	0	0	0	0	123.8
1820	E	24.7	Very low	25	Very low	195 Å²	195	155.8 Å²	155.8	91%	0.911	79%	0.79	S	S	*	*			trans	-77.9	146.9	148.4	-70.4	-170	103.2	0	0	113.3
1821	R	25	Very low	25.2	Very low	244 Å²	244	157.5 Å²	157.5	92%	0.921	79%	0.794	S	S	*	*			trans	-168.3	110.7	156.8	-124	-172.2	-177.8	-161.7	1.5	111
1822	R	27.2	Very low	25.4	Very low	250 Å²	250	160.7 Å²	160.7	94%	0.943	80%	0.802	S	S	*	*			trans	-171.1	117.2	157.2	-109.4	159.3	-165.8	-152.7	3.1	114.3
1823	K	25.8	Very low	26.1	Very low	204 Å²	204	155.1 Å²	155.1	89%	0.887	79%	0.792	S	S	*	*			trans	173.9	135	158.8	-95.8	157.9	-170.2	178.6	0	106.9
1824	C	24.8	Very low	26.3	Very low	110 Å²	110	158.8 Å²	158.8	74%	0.743	80%	0.795	S	S	*	*			cis	-158.3	149.1	-18.8	-119.3	0	0	0	0	111
1825	C	25.2	Very low	26.5	Very low	112 Å²	112	159.1 Å²	159.1	76%	0.757	78%	0.782	S	S	*	*			trans	56.7	137.3	151	-58.2	0	0	0	0	124
1826	K	23.8	Very low	26.6	Very low	193 Å²	193	158.5 Å²	158.5	84%	0.839	78%	0.776	S	S	*	*			trans	78	96.8	147.4	-71.8	-179.1	177.1	-176.8	0	122.4
1827	T	23.7	Very low	26.7	Very low	116 Å²	116	160.1 Å²	160.1	71%	0.712	78%	0.777	S	S	*	*				29.6	123.4	117.4	54.4	0	0	0	0	122.3
1828	E	24.6	Very low	26.7	Very low	167 Å²	167	155.9 Å²	155.9	78%	0.78	77%	0.771	S	S	*	*			trans	69.7	132.7	131.1	-63.9	-164.9	166.7	0	0	123.8
1829	N	27.1	Very low	26.7	Very low	133 Å²	133	159.8 Å²	159.8	71%	0.711	77%	0.772	S	S	*	*			trans	56.7	107.8	144.8	-63.2	-35.4	0	0	0	120.6
1830	I	27	Very low	26.8	Very low	159 Å²	159	161.5 Å²	161.5	82%	0.815	77%	0.771	S	S	*	*				-177.7	122	104	-91.1	161.7	0	0	0	112.6
1831	L	25.2	Very low	26.8	Very low	147 Å²	147	158.1 Å²	158.1	77%	0.77	76%	0.764	S	S	*	*			trans	17.8	137.6	150.7	-68.5	161.2	0	0	0	124.5
1832	Q	28.4	Very low	26.9	Very low	175 Å²	175	155.7 Å²	155.7	82%	0.818	76%	0.76	S	S	*	*			trans	88.9	149.7	137.7	-71.3	-93.8	-22.7	0	0	120.4
1833	P	37.9	Very low	26.8	Very low	88 Å²	88	152.9 Å²	152.9	57%	0.571	76%	0.758	S	S	*	*			trans	-126.9	-176.6	-155.7	43.9	-29	0	0	0	114.6
1834	W	27.3	Very low	26.9	Very low	242 Å²	242	146.6 Å²	146.6	92%	0.917	75%	0.751	S	S	*	*			trans	-171.3	158.6	137.6	-109.5	36.9	0	0	0	110.8
1835	V	27.7	Very low	27	Very low	78 Å²	78	148.2 Å²	148.2	47%	0.473	75%	0.752	S	S	.	*			cis	179.7	144.7	-43.2	127.1	0	0	0	0	108.9
1836	K	26.1	Very low	27	Very low	174 Å²	174	149.5 Å²	149.5	76%	0.757	75%	0.75	S	S	*	*			trans	66.2	156.8	174.5	-69.4	153.5	-165.9	169.2	0	114.6
1837	N	28.9	Very low	27	Very low	136 Å²	136	148 Å²	148	73%	0.727	75%	0.748	S	S	*	*			cis	-166.5	167.9	-6.2	-107	-4.5	0	0	0	108
1838	V	26.8	Very low	27.1	Very low	101 Å²	101	150.5 Å²	150.5	61%	0.612	75%	0.749	S	S	*	*			cis	-171.1	145.1	-34.8	95.1	0	0	0	0	109.3
1839	R	26.3	Very low	27.2	Very low	204 Å²	204	148.4 Å²	148.4	77%	0.77	75%	0.752	S	S	*	*			trans	66.1	129	158	-70.2	173	-168.1	167.2	2.2	123.1
1840	Q	28.4	Very low	27.1	Very low	163 Å²	163	149.4 Å²	149.4	76%	0.762	75%	0.753	S	S	*	*				68.7	137.6	129.2	-65.9	169.2	-38.8	0	0	119.8
1841	T	26.5	Very low	27.1	Very low	125 Å²	125	147.2 Å²	147.2	77%	0.767	75%	0.751	S	S	*	*			cis	-161.6	165.1	-6.3	3.7	0	0	0	0	112.4
1842	K	26	Very low	27.3	Very low	193 Å²	193	148.4 Å²	148.4	84%	0.839	76%	0.758	S	S	*	*			trans	87	135.1	167.1	-66.2	-178.9	178.1	-179.3	0	118.1
1843	H	26	Very low	27.4	Very low	191 Å²	191	150.9 Å²	150.9	88%	0.884	76%	0.76	S	S	*	*			trans	-31.8	142.6	-179.8	-47.7	-81	0	0	0	117.3
1844	G	28.3	Very low	27.2	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	75%	0.749	S	S	*	*			cis	177.6	66.2	3.4	0	0	0	0	0	113.1
1845	D	26.4	Very low	27.7	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	74%	0.735	S	S	*	*			trans	-99	140.4	-156.5	-95	-31.8	0	0	0	117.5
1846	I	25.1	Very low	28	Very low	139 Å²	139	144.5 Å²	144.5	71%	0.713	75%	0.746	S	S	*	*				47.7	108.8	125.5	-58.8	171.8	0	0	0	119.6
1847	M	24.2	Very low	28.4	Very low	160 Å²	160	140.8 Å²	140.8	79%	0.788	73%	0.731	S	S	*	*			trans	78.3	148.2	140.9	-86.1	-164.2	-176.6	0	0	124.9
1848	K	25.9	Very low	28.5	Very low	170 Å²	170	137.4 Å²	137.4	74%	0.739	72%	0.716	S	S	*	*			trans	83.9	101.5	146.4	-76.7	159.1	-176.5	172.9	0	121.3
1849	S	25.4	Very low	28.7	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	72%	0.716	S	S	*	*				-142.8	134.2	113.4	52.2	0	0	0	0	106.9
1850	Q	26	Very low	29.4	Very low	154 Å²	154	136.1 Å²	136.1	72%	0.72	72%	0.715	S	S	*	*			cis	95.5	70.3	9.9	-151	176.6	-0.7	0	0	116.9
1851	S	26.1	Very low	30	Very low	113 Å²	113	130.3 Å²	130.3	79%	0.79	70%	0.695	S	S	*	*			trans	177.6	153.2	144.5	45.2	0	0	0	0	107.4
1852	L	30	Very low	30.8	Very low	173 Å²	173	127.3 Å²	127.3	91%	0.906	67%	0.673	S	S	*	*			cis	-107.7	161.5	-3.3	-72.9	158	0	0	0	110.6
1853	R	29.7	Very low	31.4	Very low	227 Å²	227	122.7 Å²	122.7	86%	0.857	66%	0.662	S	S	*	*			trans	-114.8	136.7	165.1	-74	179.2	176	171.4	-2.8	108.2
1854	D	34.2	Very low	32.2	Very low	65 Å²	65	123.4 Å²	123.4	35%	0.348	66%	0.657	S	S	.	*			trans	-92.8	120	157.1	-172.9	-9.2	0	0	0	108	T1856 Q1857 Q1862	D1854-T1856 VanDerWaalsContact CG-OG1 3.3Å; D1854-T1856 WeakPolarHBondContact OD1-CB 3.31Å; D1854-T1856 PolarHBondContact OD1-N 3.11Å; D1854-T1856 PolarHBondContact OD1-OG1 3.31Å; D1854-T1856 PolarHBondContact OD2-OG1 3.23Å; D1854-Q1857 HydrophobicContact CB-CG 4.46Å; D1854-Q1857 WeakPolarHBondContact OD2-CG 3.49Å; D1854-Q1857 PolarHBondContact OD2-NE2 3.41Å; D1854-Q1862 PolarHBondContact O-NE2 2.97Å
1855	P	37.8	Very low	32.8	Very low	94 Å²	94	125.6 Å²	125.6	61%	0.61	65%	0.646	S	S	*	*	S	Bend	trans	-81.1	-17	174.9	33.3	-34.2	0	0	0	113.2	Q1857	P1855-Q1857 VanDerWaalsContact C-N 3.32Å; P1855-Q1857 PolarHBondContact O-N 3.11Å
1856	T	33.7	Very low	33.7	Very low	115 Å²	115	121.1 Å²	121.1	71%	0.706	63%	0.626	S	S	*	*	S	Bend	trans	-77.5	-15.3	-170.6	67.3	0	0	0	0	114.1	D1854	D1854-T1856 VanDerWaalsContact CG-OG1 3.3Å; D1854-T1856 WeakPolarHBondContact OD1-CB 3.31Å; D1854-T1856 PolarHBondContact OD1-N 3.11Å; D1854-T1856 PolarHBondContact OD1-OG1 3.31Å; D1854-T1856 PolarHBondContact OD2-OG1 3.23Å
1857	Q	34	Very low	34.5	Very low	96 Å²	96	121.2 Å²	121.2	45%	0.449	62%	0.618	S	S	.	*	S	Bend	trans	-85.5	131.6	-173	-63.4	-174.5	17.3	0	0	113	D1854 P1855 A1861	D1854-Q1857 HydrophobicContact CB-CG 4.46Å; D1854-Q1857 WeakPolarHBondContact OD2-CG 3.49Å; D1854-Q1857 PolarHBondContact OD2-NE2 3.41Å; P1855-Q1857 VanDerWaalsContact C-N 3.32Å; P1855-Q1857 PolarHBondContact O-N 3.11Å; Q1857-A1861 HydrophobicContact CB-CB 4.13Å
1858	P	32	Very low	35.7	Very low	64 Å²	64	120 Å²	120	42%	0.416	61%	0.609	S	S	.	*			trans	-65	160.8	-178.6	26.8	-35.8	0	0	0	113.1	Y1860 A1861	P1858-Y1860 HydrophobicContact CB-CD1 4.01Å; P1858-Y1860 HydrophobicContact CB-CE1 3.63Å; P1858-Y1860 HydrophobicContact CG-CD1 4.05Å; P1858-Y1860 HydrophobicContact CG-CE1 3.34Å; P1858-Y1860 HydrophobicContact CG-CE2 4.14Å; P1858-Y1860 WeakPolarHBondContact CG-OH 3.45Å; P1858-Y1860 PolarHBondContact O-N 3.13Å; P1858-A1861 WeakPolarHBondContact O-CB 3.41Å; P1858-A1861 PolarHBondContact O-N 3.3Å
1859	S	31.7	Very low	36.7	Very low	87 Å²	87	115.3 Å²	115.3	61%	0.608	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-60.6	-23.2	-166.6	48.4	0	0	0	0	115.7	A1861 Q1862 S1866	S1859-A1861 VanDerWaalsContact C-N 3.34Å; S1859-Q1862 PolarHBondContact O-N 3.2Å; S1859-S1866 PolarHBondContact O-OG 3.22Å
1860	Y	39.1	Very low	37.8	Very low	191 Å²	191	112.2 Å²	112.2	75%	0.749	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-70	-28	173.9	60.7	-98.9	0	0	0	113.2	P1858 Q1862	P1858-Y1860 HydrophobicContact CB-CD1 4.01Å; P1858-Y1860 HydrophobicContact CB-CE1 3.63Å; P1858-Y1860 HydrophobicContact CG-CD1 4.05Å; P1858-Y1860 HydrophobicContact CG-CE1 3.34Å; P1858-Y1860 HydrophobicContact CG-CE2 4.14Å; P1858-Y1860 WeakPolarHBondContact CG-OH 3.45Å; P1858-Y1860 PolarHBondContact O-N 3.13Å; Y1860-Q1862 VanDerWaalsContact C-N 3.25Å; Y1860-Q1862 PolarHBondContact O-N 2.8Å
1861	A	42.5	Very low	38.5	Very low	42 Å²	42	110.9 Å²	110.9	35%	0.347	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-75.7	-9.5	178.9	0	0	0	0	0	113.7	Q1857 P1858 S1859 P1863	Q1857-A1861 HydrophobicContact CB-CB 4.13Å; P1858-A1861 WeakPolarHBondContact O-CB 3.41Å; P1858-A1861 PolarHBondContact O-N 3.3Å; S1859-A1861 VanDerWaalsContact C-N 3.34Å; A1861-P1863 VanDerWaalsContact C-CD 3.42Å; A1861-P1863 WeakPolarHBondContact O-CD 3.45Å
1862	Q	41.8	Very low	39.3	Very low	62 Å²	62	109 Å²	109	29%	0.29	56%	0.555	S	S	.	*			trans	-113.2	74.2	176.7	-63.6	-168.4	7.9	0	0	111.1	D1854 S1859 Y1860 W1864 K1865 S1866	D1854-Q1862 PolarHBondContact O-NE2 2.97Å; S1859-Q1862 PolarHBondContact O-N 3.2Å; Y1860-Q1862 VanDerWaalsContact C-N 3.25Å; Y1860-Q1862 PolarHBondContact O-N 2.8Å; Q1862-W1864 VanDerWaalsContact C-N 3.25Å; Q1862-W1864 PolarHBondContact O-N 3.5Å; Q1862-W1864 VanDerWaalsContact O-N 3.14Å; Q1862-K1865 HydrophobicContact CB-CB 3.89Å; Q1862-K1865 WeakPolarHBondContact O-CA 3.2Å; Q1862-K1865 WeakPolarHBondContact O-CB 3.19Å; Q1862-K1865 PolarHBondContact O-N 3.45Å; Q1862-S1866 PolarHBondContact O-N 2.7Å
1863	P	38.4	Very low	39.4	Very low	95 Å²	95	103.3 Å²	103.3	62%	0.617	54%	0.537	S	S	*	.	H	α-helix	trans	-56.8	-34.5	-174.4	19.8	-32.3	0	0	0	113.4	A1861 K1865 S1866 Y1867	A1861-P1863 VanDerWaalsContact C-CD 3.42Å; A1861-P1863 WeakPolarHBondContact O-CD 3.45Å; P1863-K1865 VanDerWaalsContact C-N 3.3Å; P1863-K1865 PolarHBondContact O-N 3.4Å; P1863-S1866 PolarHBondContact O-N 2.91Å; P1863-Y1867 WeakPolarHBondContact O-CB 3.29Å; P1863-Y1867 PolarHBondContact O-N 2.93Å
1864	W	43.6	Very low	39.9	Very low	206 Å²	206	98.7 Å²	98.7	78%	0.78	53%	0.525	S	S	*	.	H	α-helix	trans	-65.2	-29	173.7	-93.3	142.9	0	0	0	114.1	Q1862 Y1867 K1868	Q1862-W1864 VanDerWaalsContact C-N 3.25Å; Q1862-W1864 PolarHBondContact O-N 3.5Å; Q1862-W1864 VanDerWaalsContact O-N 3.14Å; W1864-Y1867 AromaticContact CE3-CD1 3.92Å; W1864-Y1867 HydrophobicContact CE3-CD1 3.92Å; W1864-Y1867 HydrophobicContact CE3-CG 4.38Å; W1864-Y1867 AromaticContact CZ3-CD1 3.55Å; W1864-Y1867 HydrophobicContact CZ3-CD1 3.55Å; W1864-Y1867 AromaticContact CZ3-CE1 3.88Å; W1864-Y1867 HydrophobicContact CZ3-CE1 3.88Å; W1864-Y1867 HydrophobicContact CZ3-CG 4.26Å; W1864-K1868 WeakPolarHBondContact O-CB 3.39Å; W1864-K1868 PolarHBondContact O-N 3.45Å
1865	K	41	Very low	39.8	Very low	118 Å²	118	103.8 Å²	103.8	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-77.4	-42.8	178.8	-164	176.4	177.4	-170.1	0	110.2	Q1862 P1863 K1868 N1869	Q1862-K1865 HydrophobicContact CB-CB 3.89Å; Q1862-K1865 WeakPolarHBondContact O-CA 3.2Å; Q1862-K1865 WeakPolarHBondContact O-CB 3.19Å; Q1862-K1865 PolarHBondContact O-N 3.45Å; P1863-K1865 VanDerWaalsContact C-N 3.3Å; P1863-K1865 PolarHBondContact O-N 3.4Å; K1865-K1868 PolarHBondContact O-N 3.26Å; K1865-N1869 WeakPolarHBondContact O-CB 3.39Å; K1865-N1869 VanDerWaalsContact O-CG 3.29Å; K1865-N1869 PolarHBondContact O-N 2.83Å; K1865-N1869 PolarHBondContact O-OD1 2.65Å
1866	S	46.3	Very low	39.5	Very low	50 Å²	50	104.5 Å²	104.5	35%	0.35	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-43.5	174.3	-61.8	0	0	0	0	112.3	S1859 Q1862 P1863 K1868 N1869 A1870	S1859-S1866 PolarHBondContact O-OG 3.22Å; Q1862-S1866 PolarHBondContact O-N 2.7Å; P1863-S1866 PolarHBondContact O-N 2.91Å; S1866-K1868 PolarHBondContact O-N 3.07Å; S1866-N1869 PolarHBondContact O-N 3.49Å; S1866-A1870 WeakPolarHBondContact O-CB 3.42Å; S1866-A1870 PolarHBondContact O-N 3.29Å
1867	Y	42	Very low	39.3	Very low	141 Å²	141	104.7 Å²	104.7	55%	0.553	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-38	173.4	-167	-94.8	0	0	0	112	P1863 W1864 L1871	P1863-Y1867 WeakPolarHBondContact O-CB 3.29Å; P1863-Y1867 PolarHBondContact O-N 2.93Å; W1864-Y1867 AromaticContact CE3-CD1 3.92Å; W1864-Y1867 HydrophobicContact CE3-CD1 3.92Å; W1864-Y1867 HydrophobicContact CE3-CG 4.38Å; W1864-Y1867 AromaticContact CZ3-CD1 3.55Å; W1864-Y1867 HydrophobicContact CZ3-CD1 3.55Å; W1864-Y1867 AromaticContact CZ3-CE1 3.88Å; W1864-Y1867 HydrophobicContact CZ3-CE1 3.88Å; W1864-Y1867 HydrophobicContact CZ3-CG 4.26Å; Y1867-L1871 HydrophobicContact CD1-CD1 3.68Å; Y1867-L1871 HydrophobicContact CD1-CG 4.16Å; Y1867-L1871 HydrophobicContact CE1-CD1 3.56Å; Y1867-L1871 HydrophobicContact CE1-CG 4.1Å; Y1867-L1871 WeakPolarHBondContact O-CB 3.48Å; Y1867-L1871 WeakPolarHBondContact O-CG 3.19Å; Y1867-L1871 PolarHBondContact O-N 2.86Å
1868	K	48.4	Very low	39	Very low	136 Å²	136	108.7 Å²	108.7	59%	0.591	57%	0.568	S	S	*	*	H	α-helix	trans	-64.8	-43.5	173.2	-174.3	-179.2	179	-170.5	0	112	W1864 K1865 S1866 L1871 T1872	W1864-K1868 WeakPolarHBondContact O-CB 3.39Å; W1864-K1868 PolarHBondContact O-N 3.45Å; K1865-K1868 PolarHBondContact O-N 3.26Å; S1866-K1868 PolarHBondContact O-N 3.07Å; K1868-L1871 CarbonylContact O-C 3.58Å; K1868-L1871 WeakPolarHBondContact O-CB 3.47Å; K1868-L1871 PolarHBondContact O-N 2.87Å; K1868-T1872 WeakPolarHBondContact O-CG2 3.49Å; K1868-T1872 PolarHBondContact O-N 2.92Å; K1868-T1872 PolarHBondContact O-OG1 3.32Å
1869	N	47.9	Very low	38.7	Very low	71 Å²	71	112.9 Å²	112.9	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-64.8	-40.1	179	-73.9	7.7	0	0	0	111.6	K1865 S1866 T1872 G1873 H1874	K1865-N1869 WeakPolarHBondContact O-CB 3.39Å; K1865-N1869 VanDerWaalsContact O-CG 3.29Å; K1865-N1869 PolarHBondContact O-N 2.83Å; K1865-N1869 PolarHBondContact O-OD1 2.65Å; S1866-N1869 PolarHBondContact O-N 3.49Å; N1869-T1872 WeakPolarHBondContact CA-OG1 3.17Å; N1869-T1872 CarbonylContact O-C 3.57Å; N1869-T1872 PolarHBondContact O-N 2.85Å; N1869-T1872 PolarHBondContact O-OG1 3.36Å; N1869-G1873 PolarHBondContact O-N 3.4Å; N1869-H1874 HydrophobicContact CB-CB 4.45Å; N1869-H1874 PolarHBondContact O-N 2.66Å
1870	A	47.8	Very low	38.5	Very low	57 Å²	57	116.2 Å²	116.2	47%	0.471	59%	0.591	S	S	.	*	H	α-helix	trans	-60.7	-43.1	170.8	0	0	0	0	0	112	S1866 T1872 G1873	S1866-A1870 WeakPolarHBondContact O-CB 3.42Å; S1866-A1870 PolarHBondContact O-N 3.29Å; A1870-T1872 VanDerWaalsContact C-N 3.29Å; A1870-T1872 PolarHBondContact O-N 3.28Å; A1870-G1873 PolarHBondContact O-N 3.31Å
1871	L	41.2	Very low	38	Very low	126 Å²	126	114.1 Å²	114.1	66%	0.66	59%	0.592	S	S	*	*	H	α-helix	trans	-66.2	-24.5	174.3	-76.5	177.1	0	0	0	114.2	Y1867 K1868	Y1867-L1871 HydrophobicContact CD1-CD1 3.68Å; Y1867-L1871 HydrophobicContact CD1-CG 4.16Å; Y1867-L1871 HydrophobicContact CE1-CD1 3.56Å; Y1867-L1871 HydrophobicContact CE1-CG 4.1Å; Y1867-L1871 WeakPolarHBondContact O-CB 3.48Å; Y1867-L1871 WeakPolarHBondContact O-CG 3.19Å; Y1867-L1871 PolarHBondContact O-N 2.86Å; K1868-L1871 CarbonylContact O-C 3.58Å; K1868-L1871 WeakPolarHBondContact O-CB 3.47Å; K1868-L1871 PolarHBondContact O-N 2.87Å
1872	T	42.6	Very low	37.2	Very low	74 Å²	74	121.1 Å²	121.1	45%	0.454	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	13.2	175	59.8	0	0	0	0	113.5	K1868 N1869 A1870 H1874	K1868-T1872 WeakPolarHBondContact O-CG2 3.49Å; K1868-T1872 PolarHBondContact O-N 2.92Å; K1868-T1872 PolarHBondContact O-OG1 3.32Å; N1869-T1872 WeakPolarHBondContact CA-OG1 3.17Å; N1869-T1872 CarbonylContact O-C 3.57Å; N1869-T1872 PolarHBondContact O-N 2.85Å; N1869-T1872 PolarHBondContact O-OG1 3.36Å; A1870-T1872 VanDerWaalsContact C-N 3.29Å; A1870-T1872 PolarHBondContact O-N 3.28Å; T1872-H1874 PolarHBondContact O-N 2.88Å
1873	G	32.7	Very low	36.6	Very low	52 Å²	52	123.5 Å²	123.5	54%	0.536	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	70.4	11.4	178.4	0	0	0	0	0	115	N1869 A1870 F1875	N1869-G1873 PolarHBondContact O-N 3.4Å; A1870-G1873 PolarHBondContact O-N 3.31Å; G1873-F1875 PolarHBondContact O-N 2.94Å
1874	H	38.4	Very low	36.2	Very low	131 Å²	131	124.6 Å²	124.6	61%	0.606	64%	0.64	S	S	*	*			trans	-94.8	76.7	176	-67.7	-30.2	0	0	0	109.8	N1869 T1872	N1869-H1874 HydrophobicContact CB-CB 4.45Å; N1869-H1874 PolarHBondContact O-N 2.66Å; T1872-H1874 PolarHBondContact O-N 2.88Å
1875	F	32.8	Very low	35.4	Very low	171 Å²	171	123.5 Å²	123.5	75%	0.75	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-61.3	135.6	168.3	-75.1	-91.4	0	0	0	110.2	G1873	G1873-F1875 PolarHBondContact O-N 2.94Å
1876	P	31.7	Very low	34.9	Very low	110 Å²	110	122.8 Å²	122.8	71%	0.714	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-62.5	155.4	163.2	29	-33.4	0	0	0	110.3
1877	P	29.2	Very low	34.1	Very low	118 Å²	118	124.6 Å²	124.6	77%	0.766	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.9	157.1	-170.1	26.1	-35.1	0	0	0	113.5	I1879	P1877-I1879 PolarHBondContact O-N 2.96Å; P1877-I1879 VanDerWaalsContact O-N 3.15Å
1878	K	26.9	Very low	34	Very low	181 Å²	181	125 Å²	125	79%	0.787	67%	0.669	S	S	*	*			trans	-56.7	114.6	178.5	-67.4	178.4	178.3	176.8	0	111.4	H1880	K1878-H1880 PolarHBondContact O-N 3.48Å
1879	I	27.5	Very low	33.2	Very low	151 Å²	151	120.8 Å²	120.8	77%	0.774	65%	0.653	S	S	*	*			trans	-81.6	108.7	159.7	-55.6	179.5	0	0	0	107.1	P1877 I1881	P1877-I1879 PolarHBondContact O-N 2.96Å; P1877-I1879 VanDerWaalsContact O-N 3.15Å; I1879-I1881 VanDerWaalsContact C-N 3.34Å; I1879-I1881 HydrophobicContact CG2-CG1 3.84Å; I1879-I1881 PolarHBondContact O-N 2.85Å; I1879-I1881 VanDerWaalsContact O-N 3.09Å
1880	H	26.1	Very low	32.7	Very low	158 Å²	158	120.4 Å²	120.4	73%	0.731	65%	0.654	S	S	*	*			trans	-79.9	80.5	173.8	-92.6	-99.4	0	0	0	110	K1878 K1882	K1878-H1880 PolarHBondContact O-N 3.48Å; H1880-K1882 PolarHBondContact O-N 3.39Å
1881	I	29.4	Very low	32	Very low	147 Å²	147	124.8 Å²	124.8	75%	0.754	66%	0.663	S	S	*	*			trans	-71.7	110	165.1	-53.6	-176.7	0	0	0	107.3	I1879	I1879-I1881 VanDerWaalsContact C-N 3.34Å; I1879-I1881 HydrophobicContact CG2-CG1 3.84Å; I1879-I1881 PolarHBondContact O-N 2.85Å; I1879-I1881 VanDerWaalsContact O-N 3.09Å
1882	K	26.4	Very low	32.2	Very low	188 Å²	188	123 Å²	123	82%	0.817	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-74.6	125.3	175	-160.4	178.8	-175.6	-173.3	0	107.2	H1880 T1884	H1880-K1882 PolarHBondContact O-N 3.39Å; K1882-T1884 PolarHBondContact O-N 3.3Å
1883	P	28.7	Very low	32.3	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-64.7	129.7	177.7	27.1	-33.3	0	0	0	109.2
1884	T	29	Very low	32.8	Very low	119 Å²	119	122.5 Å²	122.5	73%	0.73	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-65	140.8	165.7	32.7	0	0	0	0	109.4	K1882 C1886	K1882-T1884 PolarHBondContact O-N 3.3Å; T1884-C1886 PolarHBondContact O-N 3.49Å
1885	E	28.1	Very low	33.7	Very low	183 Å²	183	120.8 Å²	120.8	86%	0.855	63%	0.625	S	S	*	*			trans	-80	63	-179.2	-64.7	-172.5	148.6	0	0	110.9	N1887	E1885-N1887 VanDerWaalsContact C-N 3.27Å; E1885-N1887 PolarHBondContact O-N 2.97Å; E1885-N1887 PolarHBondContact O-ND2 3.46Å
1886	C	30.3	Very low	34.6	Very low	102 Å²	102	115 Å²	115	69%	0.689	60%	0.604	S	S	*	*			trans	-66.6	86.3	174	-65.2	0	0	0	0	109.9	T1884 L1888	T1884-C1886 PolarHBondContact O-N 3.49Å; C1886-L1888 PolarHBondContact O-N 3.19Å
1887	N	29.7	Very low	35.2	Very low	88 Å²	88	115.6 Å²	115.6	47%	0.471	60%	0.596	S	S	.	*			trans	-56.7	133.4	163.6	-71.5	-91.9	0	0	0	108.1	E1885 L1889	E1885-N1887 VanDerWaalsContact C-N 3.27Å; E1885-N1887 PolarHBondContact O-N 2.97Å; E1885-N1887 PolarHBondContact O-ND2 3.46Å; N1887-L1889 CarbonylContact C-O 3.6Å; N1887-L1889 VanDerWaalsContact C-O 3.27Å; N1887-L1889 WeakPolarHBondContact CB-O 3.48Å; N1887-L1889 CarbonylContact O-C 3.58Å; N1887-L1889 VanDerWaalsContact O-C 3.24Å; N1887-L1889 PolarHBondContact O-N 3.14Å; N1887-L1889 VanDerWaalsContact O-O 3.11Å
1888	L	38.8	Very low	36.6	Very low	151 Å²	151	113.8 Å²	113.8	79%	0.791	58%	0.576	S	S	*	*	S	Bend	trans	-69.1	-6.8	-171.2	-71.7	162.7	0	0	0	114.3	C1886	C1886-L1888 PolarHBondContact O-N 3.19Å
1889	L	32.5	Very low	38.5	Very low	47 Å²	47	110.5 Å²	110.5	25%	0.246	56%	0.563	C	S	.	*	S	Bend	trans	-125.7	143.5	148.8	-80.8	138.1	0	0	0	105.2	N1887 F1891 E1893 H1894	N1887-L1889 CarbonylContact C-O 3.6Å; N1887-L1889 VanDerWaalsContact C-O 3.27Å; N1887-L1889 WeakPolarHBondContact CB-O 3.48Å; N1887-L1889 CarbonylContact O-C 3.58Å; N1887-L1889 VanDerWaalsContact O-C 3.24Å; N1887-L1889 PolarHBondContact O-N 3.14Å; N1887-L1889 VanDerWaalsContact O-O 3.11Å; L1889-F1891 PolarHBondContact O-N 2.84Å; L1889-E1893 HydrophobicContact CD2-CB 4.48Å; L1889-H1894 HydrophobicContact CB-CB 3.75Å; L1889-H1894 HydrophobicContact CD1-CB 4.27Å
1890	P	36.1	Very low	40.2	Very low	63 Å²	63	106.9 Å²	106.9	41%	0.409	55%	0.548	S	S	.	.			trans	-49	141.6	165.7	-25.4	33.7	0	0	0	110.1	D1892 E1893 H1894	P1890-D1892 PolarHBondContact O-N 2.77Å; P1890-D1892 VanDerWaalsContact O-N 3.12Å; P1890-E1893 HydrophobicContact CB-CB 4.09Å; P1890-E1893 HydrophobicContact CB-CG 3.92Å; P1890-E1893 HydrophobicContact CG-CB 4.27Å; P1890-E1893 HydrophobicContact CG-CG 3.98Å; P1890-E1893 PolarHBondContact O-N 3.45Å; P1890-H1894 PolarHBondContact O-N 3.4Å
1891	F	34.8	Very low	41.4	Very low	148 Å²	148	103.4 Å²	103.4	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-58.1	-34	-174.3	-141.4	-96.5	0	0	0	111.2	L1889	L1889-F1891 PolarHBondContact O-N 2.84Å
1892	D	44	Very low	43.1	Very low	89 Å²	89	102.2 Å²	102.2	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-73.5	-19.2	176.4	-48.7	-75	0	0	0	114.4	T455 P1890 P1896	T455-D1892 HydrophobicContact CG2-CB 3.89Å; P1890-D1892 PolarHBondContact O-N 2.77Å; P1890-D1892 VanDerWaalsContact O-N 3.12Å; D1892-P1896 WeakPolarHBondContact O-CD 3.29Å; D1892-P1896 WeakPolarHBondContact O-CG 3.18Å
1893	E	44.6	Very low	45.2	Very low	27 Å²	27	98.6 Å²	98.6	13%	0.126	51%	0.51	C	S	.	.	H	α-helix	trans	-100.2	-32.4	177.2	-67.3	-114.6	136.1	0	0	112	K451 P510 L1889 P1890 Q1895 P1896 F1897	K451-E1893 VanDerWaalsContact CD-OE1 3.26Å; K451-E1893 WeakPolarHBondContact CD-OE1 3.38Å; K451-E1893 WeakPolarHBondContact CE-OE1 3.31Å; K451-E1893 IonicContact NZ-OE1 3.45Å; K451-E1893 PolarHBondContact NZ-OE1 3.17Å; K451-E1893 IonicContact NZ-OE2 3.12Å; K451-E1893 PolarHBondContact NZ-OE2 3.05Å; P510-E1893 WeakPolarHBondContact CD-OE1 3.45Å; L1889-E1893 HydrophobicContact CD2-CB 4.48Å; P1890-E1893 HydrophobicContact CB-CB 4.09Å; P1890-E1893 HydrophobicContact CB-CG 3.92Å; P1890-E1893 HydrophobicContact CG-CB 4.27Å; P1890-E1893 HydrophobicContact CG-CG 3.98Å; P1890-E1893 PolarHBondContact O-N 3.45Å; E1893-Q1895 VanDerWaalsContact C-N 3.27Å; E1893-Q1895 PolarHBondContact O-N 3.43Å; E1893-P1896 WeakPolarHBondContact O-CD 3.13Å; E1893-F1897 VanDerWaalsContact O-CB 3.3Å; E1893-F1897 WeakPolarHBondContact O-CB 3.46Å; E1893-F1897 PolarHBondContact O-N 3.39Å
1894	H	43.6	Very low	46.4	Very low	89 Å²	89	97.7 Å²	97.7	41%	0.412	50%	0.495	S	S	.	.	H	α-helix	trans	-58.8	-39.9	178.8	-166.9	-24.7	0	0	0	111.2	L1889 P1890 K1898	L1889-H1894 HydrophobicContact CB-CB 3.75Å; L1889-H1894 HydrophobicContact CD1-CB 4.27Å; P1890-H1894 PolarHBondContact O-N 3.4Å; H1894-K1898 WeakPolarHBondContact O-CB 3.49Å; H1894-K1898 PolarHBondContact O-N 3.4Å
1895	Q	56.7	Low	47.6	Very low	95 Å²	95	95.7 Å²	95.7	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-73.5	-50.2	-179.6	-148	75.1	-103	0	0	112.7	E1893 F1897 K1898 E1899	E1893-Q1895 VanDerWaalsContact C-N 3.27Å; E1893-Q1895 PolarHBondContact O-N 3.43Å; Q1895-F1897 VanDerWaalsContact C-N 3.29Å; Q1895-F1897 PolarHBondContact O-N 3.25Å; Q1895-K1898 CarbonylContact O-C 3.37Å; Q1895-K1898 PolarHBondContact O-N 3.42Å; Q1895-K1898 VanDerWaalsContact O-N 3.12Å; Q1895-E1899 WeakPolarHBondContact O-CB 3.47Å; Q1895-E1899 WeakPolarHBondContact O-CG 3.34Å; Q1895-E1899 PolarHBondContact O-N 3.04Å
1896	P	52.9	Low	49.3	Very low	50 Å²	50	89.6 Å²	89.6	33%	0.325	46%	0.457	S	S	.	.	H	α-helix	trans	-57.9	-35.5	172.6	-28.1	37.7	0	0	0	114.1	D1892 E1893 T1900	D1892-P1896 WeakPolarHBondContact O-CD 3.29Å; D1892-P1896 WeakPolarHBondContact O-CG 3.18Å; E1893-P1896 WeakPolarHBondContact O-CD 3.13Å; P1896-T1900 WeakPolarHBondContact O-CB 3.46Å; P1896-T1900 PolarHBondContact O-N 3.29Å; P1896-T1900 PolarHBondContact O-OG1 2.77Å
1897	F	45	Very low	50.9	Low	122 Å²	122	90.1 Å²	90.1	54%	0.535	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-48.2	172.5	-179	-99.5	0	0	0	111.4	E1893 Q1895 E1899 T1900 L1901	E1893-F1897 VanDerWaalsContact O-CB 3.3Å; E1893-F1897 WeakPolarHBondContact O-CB 3.46Å; E1893-F1897 PolarHBondContact O-N 3.39Å; Q1895-F1897 VanDerWaalsContact C-N 3.29Å; Q1895-F1897 PolarHBondContact O-N 3.25Å; F1897-E1899 VanDerWaalsContact C-N 3.32Å; F1897-E1899 PolarHBondContact O-N 2.87Å; F1897-T1900 PolarHBondContact O-N 3.27Å; F1897-L1901 VanDerWaalsContact O-CB 3.26Å; F1897-L1901 WeakPolarHBondContact O-CB 3.18Å; F1897-L1901 PolarHBondContact O-N 3.34Å
1898	K	57.1	Low	52	Low	80 Å²	80	90.8 Å²	90.8	35%	0.348	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-33.8	178.4	-171.5	171.5	177.6	-176.9	0	112.4	H1894 Q1895 K1902	H1894-K1898 WeakPolarHBondContact O-CB 3.49Å; H1894-K1898 PolarHBondContact O-N 3.4Å; Q1895-K1898 CarbonylContact O-C 3.37Å; Q1895-K1898 PolarHBondContact O-N 3.42Å; Q1895-K1898 VanDerWaalsContact O-N 3.12Å; K1898-K1902 VanDerWaalsContact O-CB 3.3Å; K1898-K1902 WeakPolarHBondContact O-CB 3.47Å; K1898-K1902 VanDerWaalsContact O-CG 3.29Å; K1898-K1902 WeakPolarHBondContact O-CG 3.49Å; K1898-K1902 PolarHBondContact O-N 2.9Å
1899	E	66.8	Low	52.9	Low	112 Å²	112	87.2 Å²	87.2	52%	0.523	43%	0.431	S	S	.	.	H	α-helix	trans	-74.6	-41.6	172.7	-72.7	-162.2	167	0	0	112.6	Q1895 F1897 L1901 K1902 Q1903	Q1895-E1899 WeakPolarHBondContact O-CB 3.47Å; Q1895-E1899 WeakPolarHBondContact O-CG 3.34Å; Q1895-E1899 PolarHBondContact O-N 3.04Å; F1897-E1899 VanDerWaalsContact C-N 3.32Å; F1897-E1899 PolarHBondContact O-N 2.87Å; E1899-L1901 VanDerWaalsContact C-N 3.35Å; E1899-K1902 CarbonylContact O-C 3.54Å; E1899-K1902 WeakPolarHBondContact O-CB 3.35Å; E1899-K1902 PolarHBondContact O-N 3.35Å; E1899-Q1903 WeakPolarHBondContact O-CB 3.49Å; E1899-Q1903 WeakPolarHBondContact O-CG 3.34Å; E1899-Q1903 PolarHBondContact O-N 3.21Å
1900	T	64.6	Low	54.3	Low	74 Å²	74	88.4 Å²	88.4	45%	0.454	44%	0.44	S	S	.	.	H	α-helix	trans	-65.6	-39.9	175.8	-59.8	0	0	0	0	111	P1896 F1897 Q1903 K1904	P1896-T1900 WeakPolarHBondContact O-CB 3.46Å; P1896-T1900 PolarHBondContact O-N 3.29Å; P1896-T1900 PolarHBondContact O-OG1 2.77Å; F1897-T1900 PolarHBondContact O-N 3.27Å; T1900-Q1903 PolarHBondContact O-N 2.81Å; T1900-K1904 WeakPolarHBondContact O-CB 3.17Å; T1900-K1904 PolarHBondContact O-N 3.28Å
1901	L	50.6	Low	55	Low	85 Å²	85	90.6 Å²	90.6	45%	0.445	45%	0.448	S	S	.	.	H	α-helix	trans	-65.4	-44.7	173.3	-166.9	74.5	0	0	0	110.9	F1897 E1899 Q1903 K1904 L1905	F1897-L1901 VanDerWaalsContact O-CB 3.26Å; F1897-L1901 WeakPolarHBondContact O-CB 3.18Å; F1897-L1901 PolarHBondContact O-N 3.34Å; E1899-L1901 VanDerWaalsContact C-N 3.35Å; L1901-Q1903 VanDerWaalsContact C-N 3.33Å; L1901-Q1903 PolarHBondContact O-N 2.64Å; L1901-K1904 PolarHBondContact O-N 3.38Å; L1901-L1905 HydrophobicContact CG-CD1 4.04Å; L1901-L1905 VanDerWaalsContact O-CB 3.24Å; L1901-L1905 WeakPolarHBondContact O-CB 3.25Å; L1901-L1905 VanDerWaalsContact O-CG 3.24Å; L1901-L1905 WeakPolarHBondContact O-CG 3.32Å; L1901-L1905 PolarHBondContact O-N 3.28Å
1902	K	64.8	Low	55.9	Low	122 Å²	122	86.4 Å²	86.4	53%	0.53	43%	0.43	S	S	.	.	H	α-helix	trans	-58.5	-41.8	170.5	-85.8	178.1	172.9	-177.8	0	112.1	K1898 E1899 S1906	K1898-K1902 VanDerWaalsContact O-CB 3.3Å; K1898-K1902 WeakPolarHBondContact O-CB 3.47Å; K1898-K1902 VanDerWaalsContact O-CG 3.29Å; K1898-K1902 WeakPolarHBondContact O-CG 3.49Å; K1898-K1902 PolarHBondContact O-N 2.9Å; E1899-K1902 CarbonylContact O-C 3.54Å; E1899-K1902 WeakPolarHBondContact O-CB 3.35Å; E1899-K1902 PolarHBondContact O-N 3.35Å; K1902-S1906 WeakPolarHBondContact O-CB 3.25Å; K1902-S1906 PolarHBondContact O-N 3.22Å; K1902-S1906 PolarHBondContact O-OG 3.25Å
1903	Q	70.1	Confident	56.6	Low	113 Å²	113	85 Å²	85	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-52	178.2	-78.3	-167.6	20.9	0	0	110.9	E1899 T1900 L1901 L1905 S1906 Q1907	E1899-Q1903 WeakPolarHBondContact O-CB 3.49Å; E1899-Q1903 WeakPolarHBondContact O-CG 3.34Å; E1899-Q1903 PolarHBondContact O-N 3.21Å; T1900-Q1903 PolarHBondContact O-N 2.81Å; L1901-Q1903 VanDerWaalsContact C-N 3.33Å; L1901-Q1903 PolarHBondContact O-N 2.64Å; Q1903-L1905 PolarHBondContact O-N 2.85Å; Q1903-S1906 WeakPolarHBondContact CA-OG 3.48Å; Q1903-S1906 CarbonylContact O-C 3.38Å; Q1903-S1906 PolarHBondContact O-N 3.42Å; Q1903-S1906 VanDerWaalsContact O-N 3.14Å; Q1903-S1906 PolarHBondContact O-OG 2.9Å; Q1903-Q1907 WeakPolarHBondContact O-CB 3.49Å; Q1903-Q1907 WeakPolarHBondContact O-CG 3.14Å; Q1903-Q1907 PolarHBondContact O-N 2.99Å
1904	K	54.5	Low	57.2	Low	92 Å²	92	89.8 Å²	89.8	40%	0.4	45%	0.445	S	S	.	.	H	α-helix	trans	-55.4	-47.7	174.2	-79.7	-174.4	175.7	178.1	0	111.6	T1900 L1901 S1906 Q1907 I1908 E1954	T1900-K1904 WeakPolarHBondContact O-CB 3.17Å; T1900-K1904 PolarHBondContact O-N 3.28Å; L1901-K1904 PolarHBondContact O-N 3.38Å; K1904-S1906 PolarHBondContact O-N 3.33Å; K1904-Q1907 PolarHBondContact O-N 3.23Å; K1904-I1908 WeakPolarHBondContact O-CB 3.36Å; K1904-I1908 VanDerWaalsContact O-CG1 3.29Å; K1904-I1908 WeakPolarHBondContact O-CG1 3.17Å; K1904-I1908 PolarHBondContact O-N 3.26Å; K1904-E1954 IonicContact NZ-OE1 2.73Å; K1904-E1954 PolarHBondContact NZ-OE1 3.34Å; K1904-E1954 IonicContact NZ-OE2 2.6Å
1905	L	54.6	Low	57.4	Low	77 Å²	77	89 Å²	89	40%	0.403	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-40.4	176.2	-73.4	169.7	0	0	0	112.1	L1901 Q1903 I1908 Q1909	L1901-L1905 HydrophobicContact CG-CD1 4.04Å; L1901-L1905 VanDerWaalsContact O-CB 3.24Å; L1901-L1905 WeakPolarHBondContact O-CB 3.25Å; L1901-L1905 VanDerWaalsContact O-CG 3.24Å; L1901-L1905 WeakPolarHBondContact O-CG 3.32Å; L1901-L1905 PolarHBondContact O-N 3.28Å; Q1903-L1905 PolarHBondContact O-N 2.85Å; L1905-I1908 PolarHBondContact O-N 3.15Å; L1905-Q1909 WeakPolarHBondContact O-CB 3.44Å; L1905-Q1909 WeakPolarHBondContact O-CG 3.35Å; L1905-Q1909 PolarHBondContact O-N 3.2Å
1906	S	63.6	Low	56.9	Low	55 Å²	55	85 Å²	85	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-69.5	-32.4	176.1	76.4	0	0	0	0	112.5	K1902 Q1903 K1904 T1910	K1902-S1906 WeakPolarHBondContact O-CB 3.25Å; K1902-S1906 PolarHBondContact O-N 3.22Å; K1902-S1906 PolarHBondContact O-OG 3.25Å; Q1903-S1906 WeakPolarHBondContact CA-OG 3.48Å; Q1903-S1906 CarbonylContact O-C 3.38Å; Q1903-S1906 PolarHBondContact O-N 3.42Å; Q1903-S1906 VanDerWaalsContact O-N 3.14Å; Q1903-S1906 PolarHBondContact O-OG 2.9Å; K1904-S1906 PolarHBondContact O-N 3.33Å; S1906-T1910 WeakPolarHBondContact O-CB 3.45Å; S1906-T1910 PolarHBondContact O-N 3.26Å; S1906-T1910 PolarHBondContact O-OG1 3.36Å
1907	Q	62.9	Low	56.8	Low	113 Å²	113	85.2 Å²	85.2	53%	0.528	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-42.9	173	-72.9	177.2	13	0	0	110.9	Q1903 K1904 T1910 L1911	Q1903-Q1907 WeakPolarHBondContact O-CB 3.49Å; Q1903-Q1907 WeakPolarHBondContact O-CG 3.14Å; Q1903-Q1907 PolarHBondContact O-N 2.99Å; K1904-Q1907 PolarHBondContact O-N 3.23Å; Q1907-T1910 PolarHBondContact O-N 2.93Å; Q1907-L1911 WeakPolarHBondContact O-CB 3.34Å; Q1907-L1911 WeakPolarHBondContact O-CG 3.47Å; Q1907-L1911 PolarHBondContact O-N 2.97Å
1908	I	53.1	Low	56.6	Low	102 Å²	102	84.8 Å²	84.8	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-62.5	-46.9	173.7	-69.7	165.2	0	0	0	110.1	K1904 L1905 T1910 L1911 Q1912	K1904-I1908 WeakPolarHBondContact O-CB 3.36Å; K1904-I1908 VanDerWaalsContact O-CG1 3.29Å; K1904-I1908 WeakPolarHBondContact O-CG1 3.17Å; K1904-I1908 PolarHBondContact O-N 3.26Å; L1905-I1908 PolarHBondContact O-N 3.15Å; I1908-T1910 PolarHBondContact O-N 3.19Å; I1908-L1911 PolarHBondContact O-N 3.37Å; I1908-Q1912 WeakPolarHBondContact O-CB 3.2Å; I1908-Q1912 PolarHBondContact O-N 3Å
1909	Q	57.4	Low	55.7	Low	76 Å²	76	88.3 Å²	88.3	36%	0.355	45%	0.445	S	S	.	.	H	α-helix	trans	-63.6	-38	174	-76	-178.5	-11.7	0	0	112	L1905 Q1912 V1913 L1991	L1905-Q1909 WeakPolarHBondContact O-CB 3.44Å; L1905-Q1909 WeakPolarHBondContact O-CG 3.35Å; L1905-Q1909 PolarHBondContact O-N 3.2Å; Q1909-Q1912 PolarHBondContact O-N 2.99Å; Q1909-V1913 VanDerWaalsContact O-CB 3.24Å; Q1909-V1913 WeakPolarHBondContact O-CB 3.34Å; Q1909-V1913 WeakPolarHBondContact O-CG2 3.45Å; Q1909-V1913 PolarHBondContact O-N 3.22Å; Q1909-L1991 HydrophobicContact CG-CD1 4.31Å
1910	T	63.5	Low	54.5	Low	72 Å²	72	88.7 Å²	88.7	44%	0.442	45%	0.445	S	S	.	.	H	α-helix	trans	-70.4	-36.7	177.2	-61.8	0	0	0	0	111.8	S1906 Q1907 I1908 K1914	S1906-T1910 WeakPolarHBondContact O-CB 3.45Å; S1906-T1910 PolarHBondContact O-N 3.26Å; S1906-T1910 PolarHBondContact O-OG1 3.36Å; Q1907-T1910 PolarHBondContact O-N 2.93Å; I1908-T1910 PolarHBondContact O-N 3.19Å; T1910-K1914 HydrophobicContact CG2-CD 4.36Å; T1910-K1914 VanDerWaalsContact O-CB 3.31Å; T1910-K1914 WeakPolarHBondContact O-CB 3.35Å; T1910-K1914 VanDerWaalsContact O-CG 3.26Å; T1910-K1914 WeakPolarHBondContact O-CG 3.32Å; T1910-K1914 PolarHBondContact O-N 2.89Å
1911	L	49.6	Very low	53.5	Low	110 Å²	110	91 Å²	91	58%	0.576	45%	0.45	S	S	*	.	H	α-helix	trans	-69.4	-42.2	172.3	-76.4	166.6	0	0	0	110.9	Q1907 I1908 K1914 V1915	Q1907-L1911 WeakPolarHBondContact O-CB 3.34Å; Q1907-L1911 WeakPolarHBondContact O-CG 3.47Å; Q1907-L1911 PolarHBondContact O-N 2.97Å; I1908-L1911 PolarHBondContact O-N 3.37Å; L1911-K1914 PolarHBondContact O-N 3.03Å; L1911-V1915 WeakPolarHBondContact O-CB 3.37Å; L1911-V1915 VanDerWaalsContact O-CG2 3.31Å; L1911-V1915 WeakPolarHBondContact O-CG2 3.45Å; L1911-V1915 PolarHBondContact O-N 2.87Å
1912	Q	53.4	Low	52.7	Low	59 Å²	59	92.8 Å²	92.8	28%	0.276	46%	0.46	S	S	.	.	H	α-helix	trans	-64.1	-40.2	175.1	-166.4	-178.5	22	0	0	111.2	I1908 Q1909 V1915 T1916 L1991 L1993	I1908-Q1912 WeakPolarHBondContact O-CB 3.2Å; I1908-Q1912 PolarHBondContact O-N 3Å; Q1909-Q1912 PolarHBondContact O-N 2.99Å; Q1912-V1915 CarbonylContact O-C 3.45Å; Q1912-V1915 PolarHBondContact O-N 3.38Å; Q1912-T1916 WeakPolarHBondContact O-CB 3.47Å; Q1912-T1916 PolarHBondContact O-N 3.5Å; Q1912-T1916 PolarHBondContact O-OG1 3.12Å; Q1912-L1991 PolarHBondContact NE2-O 3.24Å; Q1912-L1993 HydrophobicContact CG-CD1 4.43Å
1913	V	60.3	Low	51.1	Low	59 Å²	59	93.8 Å²	93.8	36%	0.358	47%	0.47	S	S	.	.	H	α-helix	trans	-70.1	-37.7	173.3	168.6	0	0	0	0	111.2	Q1909 T1916 N1917	Q1909-V1913 VanDerWaalsContact O-CB 3.24Å; Q1909-V1913 WeakPolarHBondContact O-CB 3.34Å; Q1909-V1913 WeakPolarHBondContact O-CG2 3.45Å; Q1909-V1913 PolarHBondContact O-N 3.22Å; V1913-T1916 VanDerWaalsContact O-CB 3.27Å; V1913-T1916 WeakPolarHBondContact O-CB 3.16Å; V1913-T1916 PolarHBondContact O-N 3.17Å; V1913-N1917 VanDerWaalsContact O-CB 3.24Å; V1913-N1917 WeakPolarHBondContact O-CB 3.47Å; V1913-N1917 PolarHBondContact O-N 3.14Å; V1913-N1917 PolarHBondContact O-OD1 3.49Å
1914	K	56.8	Low	49.4	Very low	128 Å²	128	93.2 Å²	93.2	56%	0.557	48%	0.479	S	S	*	.	H	α-helix	trans	-62.6	-44	170.7	-79.1	176	179.1	-177.2	0	111.4	T1910 L1911 T1916 N1917 L1918	T1910-K1914 HydrophobicContact CG2-CD 4.36Å; T1910-K1914 VanDerWaalsContact O-CB 3.31Å; T1910-K1914 WeakPolarHBondContact O-CB 3.35Å; T1910-K1914 VanDerWaalsContact O-CG 3.26Å; T1910-K1914 WeakPolarHBondContact O-CG 3.32Å; T1910-K1914 PolarHBondContact O-N 2.89Å; L1911-K1914 PolarHBondContact O-N 3.03Å; K1914-T1916 VanDerWaalsContact C-N 3.3Å; K1914-T1916 PolarHBondContact O-N 2.95Å; K1914-N1917 PolarHBondContact O-N 3.09Å; K1914-L1918 VanDerWaalsContact O-CB 3.23Å; K1914-L1918 WeakPolarHBondContact O-CB 3.31Å; K1914-L1918 WeakPolarHBondContact O-CD1 3.2Å; K1914-L1918 WeakPolarHBondContact O-CG 3.41Å; K1914-L1918 PolarHBondContact O-N 2.89Å
1915	V	46.6	Very low	48.3	Very low	73 Å²	73	97.3 Å²	97.3	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-67.8	-28.6	173.8	173	0	0	0	0	112.1	L1911 Q1912 K1919	L1911-V1915 WeakPolarHBondContact O-CB 3.37Å; L1911-V1915 VanDerWaalsContact O-CG2 3.31Å; L1911-V1915 WeakPolarHBondContact O-CG2 3.45Å; L1911-V1915 PolarHBondContact O-N 2.87Å; Q1912-V1915 CarbonylContact O-C 3.45Å; Q1912-V1915 PolarHBondContact O-N 3.38Å; V1915-K1919 WeakPolarHBondContact O-CB 3.46Å; V1915-K1919 WeakPolarHBondContact O-CG 3.5Å; V1915-K1919 PolarHBondContact O-N 2.82Å
1916	T	47.1	Very low	47.2	Very low	12 Å²	12	102 Å²	102	7%	0.074	52%	0.516	C	S	.	.	H	α-helix	trans	-65.8	-51.2	170.6	-58.8	0	0	0	0	110.7	Q1912 V1913 K1914 K1919 K1920 L1993	Q1912-T1916 WeakPolarHBondContact O-CB 3.47Å; Q1912-T1916 PolarHBondContact O-N 3.5Å; Q1912-T1916 PolarHBondContact O-OG1 3.12Å; V1913-T1916 VanDerWaalsContact O-CB 3.27Å; V1913-T1916 WeakPolarHBondContact O-CB 3.16Å; V1913-T1916 PolarHBondContact O-N 3.17Å; K1914-T1916 VanDerWaalsContact C-N 3.3Å; K1914-T1916 PolarHBondContact O-N 2.95Å; T1916-K1919 CarbonylContact O-C 3.54Å; T1916-K1919 WeakPolarHBondContact O-CA 3.35Å; T1916-K1919 WeakPolarHBondContact O-CB 3.15Å; T1916-K1919 PolarHBondContact O-N 2.74Å; T1916-K1919 VanDerWaalsContact O-N 3.08Å; T1916-K1920 HydrophobicContact CG2-CD 3.84Å; T1916-K1920 HydrophobicContact CG2-CG 4.4Å; T1916-K1920 WeakPolarHBondContact O-CG 3.37Å; T1916-K1920 PolarHBondContact O-N 3.28Å; T1916-L1993 HydrophobicContact CG2-CD2 3.62Å; T1916-L1993 WeakPolarHBondContact OG1-CD1 3.1Å; T1916-L1993 WeakPolarHBondContact OG1-CD2 3.45Å
1917	N	50.5	Low	45.5	Very low	54 Å²	54	106.8 Å²	106.8	29%	0.289	54%	0.536	S	S	.	.	H	α-helix	trans	-77.1	-38.9	-169.8	-77.4	30.9	0	0	0	110.7	V1913 K1914 K1919 K1920 E1921	V1913-N1917 VanDerWaalsContact O-CB 3.24Å; V1913-N1917 WeakPolarHBondContact O-CB 3.47Å; V1913-N1917 PolarHBondContact O-N 3.14Å; V1913-N1917 PolarHBondContact O-OD1 3.49Å; K1914-N1917 PolarHBondContact O-N 3.09Å; N1917-K1919 PolarHBondContact O-N 3.17Å; N1917-K1920 PolarHBondContact O-N 2.88Å; N1917-E1921 HydrophobicContact CB-CG 4.22Å; N1917-E1921 PolarHBondContact ND2-OE1 3.48Å; N1917-E1921 WeakPolarHBondContact O-CB 3.32Å; N1917-E1921 PolarHBondContact O-N 3.31Å
1918	L	40.4	Very low	43.9	Very low	112 Å²	112	108.4 Å²	108.4	59%	0.586	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-23	165.5	-70.6	167.8	0	0	0	113	K1914 N1922	K1914-L1918 VanDerWaalsContact O-CB 3.23Å; K1914-L1918 WeakPolarHBondContact O-CB 3.31Å; K1914-L1918 WeakPolarHBondContact O-CD1 3.2Å; K1914-L1918 WeakPolarHBondContact O-CG 3.41Å; K1914-L1918 PolarHBondContact O-N 2.89Å; L1918-N1922 PolarHBondContact O-ND2 3.39Å
1919	K	38.8	Very low	42.7	Very low	154 Å²	154	109.3 Å²	109.3	67%	0.67	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-5.9	172.3	-72.9	-177.9	176.6	-178.3	0	115.2	V1915 T1916 N1917	V1915-K1919 WeakPolarHBondContact O-CB 3.46Å; V1915-K1919 WeakPolarHBondContact O-CG 3.5Å; V1915-K1919 PolarHBondContact O-N 2.82Å; T1916-K1919 CarbonylContact O-C 3.54Å; T1916-K1919 WeakPolarHBondContact O-CA 3.35Å; T1916-K1919 WeakPolarHBondContact O-CB 3.15Å; T1916-K1919 PolarHBondContact O-N 2.74Å; T1916-K1919 VanDerWaalsContact O-N 3.08Å; N1917-K1919 PolarHBondContact O-N 3.17Å
1920	K	42.2	Very low	41.4	Very low	121 Å²	121	109.2 Å²	109.2	53%	0.526	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.1	-35.9	-178.9	-76	-173.7	-179	175.4	0	114.4	T1916 N1917 I1923	T1916-K1920 HydrophobicContact CG2-CD 3.84Å; T1916-K1920 HydrophobicContact CG2-CG 4.4Å; T1916-K1920 WeakPolarHBondContact O-CG 3.37Å; T1916-K1920 PolarHBondContact O-N 3.28Å; N1917-K1920 PolarHBondContact O-N 2.88Å; K1920-I1923 WeakPolarHBondContact O-CD1 3.24Å; K1920-I1923 WeakPolarHBondContact O-CG1 3.33Å
1921	E	42.1	Very low	40	Very low	121 Å²	121	112.7 Å²	112.7	57%	0.565	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-77	-31.6	-179.3	-65.4	169.6	169.1	0	0	111.2	N1917 I1923	N1917-E1921 HydrophobicContact CB-CG 4.22Å; N1917-E1921 PolarHBondContact ND2-OE1 3.48Å; N1917-E1921 WeakPolarHBondContact O-CB 3.32Å; N1917-E1921 PolarHBondContact O-N 3.31Å; E1921-I1923 PolarHBondContact O-N 3.47Å
1922	N	33.8	Very low	39.3	Very low	123 Å²	123	113.8 Å²	113.8	66%	0.658	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-71.8	17.9	176.3	-74.6	-46.8	0	0	0	115.1	L1918	L1918-N1922 PolarHBondContact O-ND2 3.39Å
1923	I	32.4	Very low	38.5	Very low	144 Å²	144	118.3 Å²	118.3	74%	0.738	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-77.2	-11.8	172	-69.8	177.3	0	0	0	111.6	K1920 E1921	K1920-I1923 WeakPolarHBondContact O-CD1 3.24Å; K1920-I1923 WeakPolarHBondContact O-CG1 3.33Å; E1921-I1923 PolarHBondContact O-N 3.47Å
1924	S	34.4	Very low	37.3	Very low	101 Å²	101	123.4 Å²	123.4	71%	0.706	64%	0.638	S	S	*	*	S	Bend	trans	-109.5	71.8	-176.9	60.3	0	0	0	0	115.6
1925	K	31.3	Very low	36.3	Very low	178 Å²	178	123.8 Å²	123.8	77%	0.774	64%	0.644	S	S	*	*			trans	53.3	106.2	147.4	-70.7	-178.7	176.9	176.8	0	120.1
1926	H	30.3	Very low	36.1	Very low	174 Å²	174	124.5 Å²	124.5	81%	0.806	65%	0.645	S	S	*	*			trans	76.7	156.7	149.2	-56.5	-65	0	0	0	119
1927	I	29.2	Very low	35.9	Very low	157 Å²	157	128.4 Å²	128.4	81%	0.805	67%	0.672	S	S	*	*			trans	91.3	118.1	176.2	-57	173.7	0	0	0	114.8
1928	I	27.9	Very low	36.2	Very low	147 Å²	147	132 Å²	132	75%	0.754	69%	0.686	S	S	*	*			trans	71.7	98.8	172.6	-59.6	158.5	0	0	0	117.9
1929	P	28.6	Very low	36.7	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	68%	0.678	S	S	*	*			trans	-101.5	138.7	156.8	35.8	-27.7	0	0	0	112.4
1930	S	30.7	Very low	37.4	Very low	74 Å²	74	128.5 Å²	128.5	52%	0.517	67%	0.674	S	S	.	*			trans	-168.3	-67.4	160.9	46.6	0	0	0	0	112.9	V1932 N1933	S1930-V1932 VanDerWaalsContact C-N 3.33Å; S1930-V1932 PolarHBondContact O-N 3.32Å; S1930-V1932 VanDerWaalsContact O-N 3.11Å; S1930-N1933 PolarHBondContact O-N 2.84Å
1931	I	33.4	Very low	38	Very low	144 Å²	144	127.1 Å²	127.1	74%	0.738	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-65.8	-21.9	-157.5	-64	170.5	0	0	0	115.7
1932	V	36.3	Very low	38.4	Very low	133 Å²	133	124.7 Å²	124.7	81%	0.806	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-88.5	-6.1	-172.8	-174.7	0	0	0	0	113.6	S1930	S1930-V1932 VanDerWaalsContact C-N 3.33Å; S1930-V1932 PolarHBondContact O-N 3.32Å; S1930-V1932 VanDerWaalsContact O-N 3.11Å
1933	N	35.6	Very low	38.9	Very low	155 Å²	155	126.1 Å²	126.1	83%	0.829	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-99.4	-1.8	-178.7	-80.6	-7	0	0	0	114.7	S1930	S1930-N1933 PolarHBondContact O-N 2.84Å
1934	E	34.6	Very low	39.9	Very low	166 Å²	166	124.4 Å²	124.4	78%	0.776	65%	0.649	S	S	*	*			trans	-110.7	-8.9	-173	-65.9	-172.5	147.1	0	0	114.8	D1936	E1934-D1936 PolarHBondContact O-N 2.88Å
1935	M	36.7	Very low	41.1	Very low	136 Å²	136	125.2 Å²	125.2	67%	0.67	64%	0.64	S	S	*	*			trans	-69.4	114	165.9	-81.1	176.6	164.8	0	0	109.6	D1939	M1935-D1939 HydrophobicContact CB-CB 4.16Å; M1935-D1939 HydrophobicContact CG-CB 4.07Å
1936	D	42.5	Very low	42.1	Very low	87 Å²	87	122.6 Å²	122.6	47%	0.465	63%	0.629	S	S	.	*			trans	-79.7	-177.9	176.3	77.3	2.3	0	0	0	111.4	E1934 K1938 D1939 L1940	E1934-D1936 PolarHBondContact O-N 2.88Å; D1936-K1938 PolarHBondContact O-N 2.77Å; D1936-K1938 VanDerWaalsContact OD1-CA 3.28Å; D1936-K1938 WeakPolarHBondContact OD1-CA 3.4Å; D1936-K1938 WeakPolarHBondContact OD1-CB 3.26Å; D1936-K1938 PolarHBondContact OD1-N 2.79Å; D1936-D1939 PolarHBondContact OD1-N 3.42Å; D1936-L1940 PolarHBondContact O-N 2.84Å
1937	S	41.8	Very low	42.9	Very low	94 Å²	94	117.6 Å²	117.6	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-19.3	177.1	56.3	0	0	0	0	113.3	D1941	S1937-D1941 WeakPolarHBondContact O-CB 3.32Å; S1937-D1941 PolarHBondContact O-N 3.16Å
1938	K	57.7	Low	43.8	Very low	131 Å²	131	113.2 Å²	113.2	57%	0.57	59%	0.59	S	S	*	*	H	α-helix	trans	-83.6	-39.7	-177.6	-171.6	-167.5	170	-159.5	0	111.1	D1936 L1940 D1941 D1942	D1936-K1938 PolarHBondContact O-N 2.77Å; D1936-K1938 VanDerWaalsContact OD1-CA 3.28Å; D1936-K1938 WeakPolarHBondContact OD1-CA 3.4Å; D1936-K1938 WeakPolarHBondContact OD1-CB 3.26Å; D1936-K1938 PolarHBondContact OD1-N 2.79Å; K1938-L1940 PolarHBondContact O-N 2.93Å; K1938-D1941 PolarHBondContact O-N 2.89Å; K1938-D1942 VanDerWaalsContact O-CB 3.31Å; K1938-D1942 WeakPolarHBondContact O-CB 3.31Å; K1938-D1942 PolarHBondContact O-N 3.22Å
1939	D	51	Low	44.9	Very low	78 Å²	78	108.8 Å²	108.8	42%	0.417	57%	0.572	S	S	.	*	H	α-helix	trans	-58.6	-39.6	169.5	-75.4	-31.3	0	0	0	111.4	M1935 D1936 Y1943	M1935-D1939 HydrophobicContact CB-CB 4.16Å; M1935-D1939 HydrophobicContact CG-CB 4.07Å; D1936-D1939 PolarHBondContact OD1-N 3.42Å; D1939-Y1943 VanDerWaalsContact O-CB 3.31Å; D1939-Y1943 WeakPolarHBondContact O-CB 3.24Å; D1939-Y1943 PolarHBondContact O-N 2.89Å
1940	L	52.1	Low	45.8	Very low	113 Å²	113	106.9 Å²	106.9	59%	0.592	56%	0.555	S	S	*	*	H	α-helix	trans	-68	-43.7	176.3	-112.8	158.9	0	0	0	112.5	D1936 K1938 H1944	D1936-L1940 PolarHBondContact O-N 2.84Å; K1938-L1940 PolarHBondContact O-N 2.93Å; L1940-H1944 WeakPolarHBondContact O-CB 3.4Å; L1940-H1944 PolarHBondContact O-N 3.01Å
1941	D	55.3	Low	46.6	Very low	93 Å²	93	108 Å²	108	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-41.9	172.7	-89.5	-8.4	0	0	0	112.2	S1937 K1938 H1944 K1945	S1937-D1941 WeakPolarHBondContact O-CB 3.32Å; S1937-D1941 PolarHBondContact O-N 3.16Å; K1938-D1941 PolarHBondContact O-N 2.89Å; D1941-H1944 PolarHBondContact O-N 3.32Å; D1941-K1945 WeakPolarHBondContact O-CB 3.24Å; D1941-K1945 VanDerWaalsContact O-CG 3.24Å; D1941-K1945 WeakPolarHBondContact O-CG 3.47Å; D1941-K1945 PolarHBondContact O-N 2.93Å
1942	D	51.5	Low	47.4	Very low	70 Å²	70	103.2 Å²	103.2	37%	0.374	53%	0.528	S	S	.	.	H	α-helix	trans	-73.7	-33.4	-178	-72.6	-14.8	0	0	0	111.4	K1938 K1945 F1946	K1938-D1942 VanDerWaalsContact O-CB 3.31Å; K1938-D1942 WeakPolarHBondContact O-CB 3.31Å; K1938-D1942 PolarHBondContact O-N 3.22Å; D1942-K1945 WeakPolarHBondContact OD1-CD 3.34Å; D1942-K1945 IonicContact OD1-NZ 2.59Å; D1942-K1945 PolarHBondContact OD1-NZ 2.91Å; D1942-F1946 WeakPolarHBondContact O-CB 3.36Å; D1942-F1946 PolarHBondContact O-N 3.03Å
1943	Y	44.6	Very low	48	Very low	152 Å²	152	100.8 Å²	100.8	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-39.1	167.1	-176.8	-102	0	0	0	112.1	D1939 F1946 L1947	D1939-Y1943 VanDerWaalsContact O-CB 3.31Å; D1939-Y1943 WeakPolarHBondContact O-CB 3.24Å; D1939-Y1943 PolarHBondContact O-N 2.89Å; Y1943-F1946 PolarHBondContact O-N 3.08Å; Y1943-L1947 HydrophobicContact CD1-CD1 4.05Å; Y1943-L1947 HydrophobicContact CE1-CD1 3.43Å; Y1943-L1947 VanDerWaalsContact CE1-CD1 3.43Å; Y1943-L1947 HydrophobicContact CE1-CG 4.39Å; Y1943-L1947 PolarHBondContact O-N 2.99Å
1944	H	52.7	Low	48.4	Very low	108 Å²	108	97.6 Å²	97.6	50%	0.5	49%	0.49	S	S	.	.	H	α-helix	trans	-69.1	-41.5	176.8	-165.5	33.7	0	0	0	111.9	L1940 D1941 F1946 L1947 C1948	L1940-H1944 WeakPolarHBondContact O-CB 3.4Å; L1940-H1944 PolarHBondContact O-N 3.01Å; D1941-H1944 PolarHBondContact O-N 3.32Å; H1944-F1946 VanDerWaalsContact C-N 3.33Å; H1944-F1946 PolarHBondContact O-N 3.18Å; H1944-L1947 PolarHBondContact O-N 3.39Å; H1944-C1948 WeakPolarHBondContact O-CB 3.22Å; H1944-C1948 PolarHBondContact O-N 3.37Å; H1944-C1948 PolarHBondContact O-SG 3.45Å
1945	K	59.8	Low	48.8	Very low	118 Å²	118	93.7 Å²	93.7	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-58.5	-42.3	170.8	-71.4	164.7	-151.1	157.4	0	111.8	D1941 D1942 C1948 S1949	D1941-K1945 WeakPolarHBondContact O-CB 3.24Å; D1941-K1945 VanDerWaalsContact O-CG 3.24Å; D1941-K1945 WeakPolarHBondContact O-CG 3.47Å; D1941-K1945 PolarHBondContact O-N 2.93Å; D1942-K1945 WeakPolarHBondContact OD1-CD 3.34Å; D1942-K1945 IonicContact OD1-NZ 2.59Å; D1942-K1945 PolarHBondContact OD1-NZ 2.91Å; K1945-C1948 PolarHBondContact O-N 2.81Å; K1945-S1949 WeakPolarHBondContact O-CB 3.46Å; K1945-S1949 PolarHBondContact O-N 3.31Å
1946	F	52.1	Low	49.2	Very low	124 Å²	124	89.2 Å²	89.2	54%	0.544	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-45.4	177.3	-179	-102.3	0	0	0	112	D1942 Y1943 H1944 S1949 L1950	D1942-F1946 WeakPolarHBondContact O-CB 3.36Å; D1942-F1946 PolarHBondContact O-N 3.03Å; Y1943-F1946 PolarHBondContact O-N 3.08Å; H1944-F1946 VanDerWaalsContact C-N 3.33Å; H1944-F1946 PolarHBondContact O-N 3.18Å; F1946-S1949 PolarHBondContact O-N 3.25Å; F1946-L1950 HydrophobicContact CE1-CD1 3.99Å; F1946-L1950 HydrophobicContact CZ-CD1 3.9Å; F1946-L1950 WeakPolarHBondContact O-CB 3.12Å; F1946-L1950 PolarHBondContact O-N 3.27Å
1947	L	46.3	Very low	49.3	Very low	68 Å²	68	92.8 Å²	92.8	36%	0.356	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-42.1	173.7	-87.6	168.1	0	0	0	112.6	Y1943 H1944 L1950 I1951	Y1943-L1947 HydrophobicContact CD1-CD1 4.05Å; Y1943-L1947 HydrophobicContact CE1-CD1 3.43Å; Y1943-L1947 VanDerWaalsContact CE1-CD1 3.43Å; Y1943-L1947 HydrophobicContact CE1-CG 4.39Å; Y1943-L1947 PolarHBondContact O-N 2.99Å; H1944-L1947 PolarHBondContact O-N 3.39Å; L1947-L1950 PolarHBondContact O-N 2.93Å; L1947-I1951 WeakPolarHBondContact O-CG1 3.41Å; L1947-I1951 PolarHBondContact O-N 3.39Å
1948	C	47.9	Very low	49.2	Very low	65 Å²	65	91.7 Å²	91.7	44%	0.439	45%	0.448	S	S	.	.	H	α-helix	trans	-67.3	-36.8	177.8	-70.9	0	0	0	0	112.5	H1944 K1945 Y1952	H1944-C1948 WeakPolarHBondContact O-CB 3.22Å; H1944-C1948 PolarHBondContact O-N 3.37Å; H1944-C1948 PolarHBondContact O-SG 3.45Å; K1945-C1948 PolarHBondContact O-N 2.81Å; C1948-Y1952 WeakPolarHBondContact O-CB 3.33Å; C1948-Y1952 PolarHBondContact O-N 3.16Å
1949	S	52.8	Low	48.5	Very low	54 Å²	54	86.9 Å²	86.9	38%	0.378	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-51.1	168.8	153	0	0	0	0	110.7	K1945 F1946 I1951 Y1952 D1953	K1945-S1949 WeakPolarHBondContact O-CB 3.46Å; K1945-S1949 PolarHBondContact O-N 3.31Å; F1946-S1949 PolarHBondContact O-N 3.25Å; S1949-I1951 VanDerWaalsContact C-N 3.29Å; S1949-I1951 PolarHBondContact O-N 2.93Å; S1949-Y1952 CarbonylContact O-C 3.54Å; S1949-Y1952 WeakPolarHBondContact O-CA 3.15Å; S1949-Y1952 WeakPolarHBondContact O-CB 3.46Å; S1949-Y1952 PolarHBondContact O-N 2.85Å; S1949-D1953 WeakPolarHBondContact O-CB 3.17Å; S1949-D1953 VanDerWaalsContact O-CG 3.22Å; S1949-D1953 PolarHBondContact O-N 2.86Å; S1949-D1953 PolarHBondContact OG-OD2 3.31Å
1950	L	47.1	Very low	48	Very low	82 Å²	82	84.8 Å²	84.8	43%	0.429	42%	0.42	S	S	.	.	H	α-helix	trans	-64.8	-33.6	-174.8	-158.5	148.9	0	0	0	112.4	F1946 L1947 E1954	F1946-L1950 HydrophobicContact CE1-CD1 3.99Å; F1946-L1950 HydrophobicContact CZ-CD1 3.9Å; F1946-L1950 WeakPolarHBondContact O-CB 3.12Å; F1946-L1950 PolarHBondContact O-N 3.27Å; L1947-L1950 PolarHBondContact O-N 2.93Å; L1950-E1954 HydrophobicContact CD2-CG 4.44Å; L1950-E1954 WeakPolarHBondContact O-CB 3.18Å; L1950-E1954 WeakPolarHBondContact O-CG 3.36Å; L1950-E1954 PolarHBondContact O-N 2.95Å
1951	I	47.3	Very low	47.4	Very low	98 Å²	98	83.7 Å²	83.7	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-68.4	-48.1	169.2	-67.5	166.7	0	0	0	110.9	L1947 S1949 D1953 E1954 E1955	L1947-I1951 WeakPolarHBondContact O-CG1 3.41Å; L1947-I1951 PolarHBondContact O-N 3.39Å; S1949-I1951 VanDerWaalsContact C-N 3.29Å; S1949-I1951 PolarHBondContact O-N 2.93Å; I1951-D1953 VanDerWaalsContact C-N 3.3Å; I1951-D1953 PolarHBondContact O-N 2.87Å; I1951-E1954 PolarHBondContact O-N 2.88Å; I1951-E1955 WeakPolarHBondContact O-CB 3.24Å; I1951-E1955 PolarHBondContact O-N 2.85Å
1952	Y	48.9	Very low	46.5	Very low	43 Å²	43	81.9 Å²	81.9	17%	0.169	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-38	179.6	-177.4	-83.7	0	0	0	112.4	S1252 C1948 S1949 K1956	S1252-Y1952 WeakPolarHBondContact OG-CE2 3.37Å; C1948-Y1952 WeakPolarHBondContact O-CB 3.33Å; C1948-Y1952 PolarHBondContact O-N 3.16Å; S1949-Y1952 CarbonylContact O-C 3.54Å; S1949-Y1952 WeakPolarHBondContact O-CA 3.15Å; S1949-Y1952 WeakPolarHBondContact O-CB 3.46Å; S1949-Y1952 PolarHBondContact O-N 2.85Å; Y1952-K1956 HydrophobicContact CE1-CD 3.99Å; Y1952-K1956 WeakPolarHBondContact O-CB 3.5Å; Y1952-K1956 PolarHBondContact O-N 3.38Å
1953	D	50.1	Low	45.8	Very low	82 Å²	82	79.7 Å²	79.7	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-76.9	-39.4	-178.6	-65.4	-41.9	0	0	0	112.1	S1949 I1951 R1957	S1949-D1953 WeakPolarHBondContact O-CB 3.17Å; S1949-D1953 VanDerWaalsContact O-CG 3.22Å; S1949-D1953 PolarHBondContact O-N 2.86Å; S1949-D1953 PolarHBondContact OG-OD2 3.31Å; I1951-D1953 VanDerWaalsContact C-N 3.3Å; I1951-D1953 PolarHBondContact O-N 2.87Å; D1953-R1957 WeakPolarHBondContact O-CB 3.47Å; D1953-R1957 PolarHBondContact O-N 2.76Å
1954	E	44.4	Very low	45.4	Very low	88 Å²	88	78.3 Å²	78.3	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-40.1	169.8	-72.5	-93.8	-157.5	0	0	111.3	K1904 L1950 I1951 R1957 S1958	K1904-E1954 IonicContact NZ-OE1 2.73Å; K1904-E1954 PolarHBondContact NZ-OE1 3.34Å; K1904-E1954 IonicContact NZ-OE2 2.6Å; L1950-E1954 HydrophobicContact CD2-CG 4.44Å; L1950-E1954 WeakPolarHBondContact O-CB 3.18Å; L1950-E1954 WeakPolarHBondContact O-CG 3.36Å; L1950-E1954 PolarHBondContact O-N 2.95Å; I1951-E1954 PolarHBondContact O-N 2.88Å; E1954-R1957 PolarHBondContact O-N 2.77Å; E1954-S1958 WeakPolarHBondContact O-CB 3.19Å; E1954-S1958 PolarHBondContact O-N 2.77Å
1955	E	43.1	Very low	44.5	Very low	83 Å²	83	77.4 Å²	77.4	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-49.5	176.4	-170.7	169.5	-115.5	0	0	110.5	Y1251 I1951 R1957 S1958 N1959	Y1251-E1955 HydrophobicContact CE1-CG 4.08Å; Y1251-E1955 VanDerWaalsContact OH-CG 3.31Å; Y1251-E1955 WeakPolarHBondContact OH-CG 3.1Å; Y1251-E1955 PolarHBondContact OH-O 2.79Å; I1951-E1955 WeakPolarHBondContact O-CB 3.24Å; I1951-E1955 PolarHBondContact O-N 2.85Å; E1955-R1957 VanDerWaalsContact C-N 3.29Å; E1955-R1957 PolarHBondContact O-N 3.36Å; E1955-S1958 WeakPolarHBondContact O-CA 3.47Å; E1955-S1958 WeakPolarHBondContact O-CB 3.24Å; E1955-S1958 PolarHBondContact O-N 3.43Å; E1955-N1959 PolarHBondContact O-N 3.48Å
1956	K	44.9	Very low	43.3	Very low	42 Å²	42	75.5 Å²	75.5	18%	0.183	38%	0.377	C	S	.	.	H	α-helix	trans	-58.4	-37.1	175	-174.9	168.1	179.3	171.6	0	112	A547 Y1250 Y1251 Y1952 S1960	A547-K1956 PolarHBondContact O-NZ 3.08Å; Y1250-K1956 HydrophobicContact CE1-CG 4.43Å; Y1251-K1956 HydrophobicContact CE1-CB 4.07Å; Y1952-K1956 HydrophobicContact CE1-CD 3.99Å; Y1952-K1956 WeakPolarHBondContact O-CB 3.5Å; Y1952-K1956 PolarHBondContact O-N 3.38Å; K1956-S1960 WeakPolarHBondContact O-CB 3.49Å; K1956-S1960 PolarHBondContact O-N 2.74Å; K1956-S1960 PolarHBondContact O-OG 2.7Å
1957	R	43.5	Very low	42.4	Very low	162 Å²	162	72.5 Å²	72.5	61%	0.611	37%	0.369	S	S	*	.	H	α-helix	trans	-64.3	-47.4	168	-103.6	-178.1	164.3	172.6	-5	112.8	D1953 E1954 E1955 N1959 S1960 I1961	D1953-R1957 WeakPolarHBondContact O-CB 3.47Å; D1953-R1957 PolarHBondContact O-N 2.76Å; E1954-R1957 PolarHBondContact O-N 2.77Å; E1955-R1957 VanDerWaalsContact C-N 3.29Å; E1955-R1957 PolarHBondContact O-N 3.36Å; R1957-N1959 VanDerWaalsContact C-N 3.34Å; R1957-N1959 PolarHBondContact O-N 2.67Å; R1957-S1960 VanDerWaalsContact CA-OG 3.28Å; R1957-S1960 WeakPolarHBondContact CA-OG 3.5Å; R1957-S1960 PolarHBondContact O-N 3.35Å; R1957-S1960 PolarHBondContact O-OG 2.87Å; R1957-I1961 PolarHBondContact O-N 2.66Å
1958	S	41.1	Very low	41.8	Very low	71 Å²	71	72.8 Å²	72.8	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-35.7	-175.3	-172.2	0	0	0	0	113	E1954 E1955	E1954-S1958 WeakPolarHBondContact O-CB 3.19Å; E1954-S1958 PolarHBondContact O-N 2.77Å; E1955-S1958 WeakPolarHBondContact O-CA 3.47Å; E1955-S1958 WeakPolarHBondContact O-CB 3.24Å; E1955-S1958 PolarHBondContact O-N 3.43Å
1959	N	42.1	Very low	41	Very low	31 Å²	31	73.8 Å²	73.8	17%	0.166	37%	0.37	C	S	.	.	H	α-helix	trans	-82.4	-19.1	170.4	-83.6	-100.8	0	0	0	113.9	K1249 Y1250 Y1251 E1955 R1957 V1962 H1963	K1249-N1959 WeakPolarHBondContact CE-OD1 3.33Å; K1249-N1959 PolarHBondContact NZ-OD1 2.98Å; Y1250-N1959 HydrophobicContact CE1-CB 4.43Å; Y1250-N1959 PolarHBondContact OH-O 3.23Å; Y1250-N1959 VanDerWaalsContact OH-O 3.12Å; Y1251-N1959 HydrophobicContact CE2-CB 3.74Å; Y1251-N1959 VanDerWaalsContact OH-CB 3.29Å; Y1251-N1959 WeakPolarHBondContact OH-CB 3.33Å; Y1251-N1959 VanDerWaalsContact OH-CG 3.3Å; Y1251-N1959 PolarHBondContact OH-ND2 3.3Å; E1955-N1959 PolarHBondContact O-N 3.48Å; R1957-N1959 VanDerWaalsContact C-N 3.34Å; R1957-N1959 PolarHBondContact O-N 2.67Å; N1959-V1962 CarbonylContact O-C 3.48Å; N1959-V1962 PolarHBondContact O-N 3.5Å; N1959-H1963 WeakPolarHBondContact O-CB 3.39Å; N1959-H1963 PolarHBondContact O-N 3.18Å
1960	S	39.7	Very low	40	Very low	34 Å²	34	76.1 Å²	76.1	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-72.1	-34.5	177.2	32.9	0	0	0	0	111.5	Y1250 K1956 R1957 H1963 W1964	Y1250-S1960 WeakPolarHBondContact OH-CA 3.28Å; Y1250-S1960 WeakPolarHBondContact OH-CB 3.14Å; Y1250-S1960 PolarHBondContact OH-N 2.88Å; K1956-S1960 WeakPolarHBondContact O-CB 3.49Å; K1956-S1960 PolarHBondContact O-N 2.74Å; K1956-S1960 PolarHBondContact O-OG 2.7Å; R1957-S1960 VanDerWaalsContact CA-OG 3.28Å; R1957-S1960 WeakPolarHBondContact CA-OG 3.5Å; R1957-S1960 PolarHBondContact O-N 3.35Å; R1957-S1960 PolarHBondContact O-OG 2.87Å; S1960-H1963 PolarHBondContact O-N 2.76Å; S1960-H1963 VanDerWaalsContact O-N 3.14Å; S1960-W1964 PolarHBondContact O-N 2.78Å
1961	I	39.7	Very low	39.3	Very low	90 Å²	90	75.8 Å²	75.8	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-54.4	-53.9	164.2	-63	165.5	0	0	0	110.2	R1957 H1963 W1964 F1965	R1957-I1961 PolarHBondContact O-N 2.66Å; I1961-H1963 PolarHBondContact O-N 2.88Å; I1961-W1964 PolarHBondContact O-N 2.89Å; I1961-F1965 WeakPolarHBondContact O-CB 3.4Å; I1961-F1965 PolarHBondContact O-N 3.34Å
1962	V	37.2	Very low	38.6	Very low	55 Å²	55	74.9 Å²	74.9	33%	0.333	39%	0.392	S	S	.	.	H	α-helix	trans	-59.4	-34.3	176.8	179.2	0	0	0	0	112.4	N1959 F1965 I1966	N1959-V1962 CarbonylContact O-C 3.48Å; N1959-V1962 PolarHBondContact O-N 3.5Å; V1962-F1965 PolarHBondContact O-N 3.45Å; V1962-I1966 HydrophobicContact CG1-CD1 3.76Å; V1962-I1966 HydrophobicContact CG1-CG1 4.41Å; V1962-I1966 PolarHBondContact O-N 3.24Å
1963	H	35.5	Very low	37.6	Very low	23 Å²	23	78.3 Å²	78.3	11%	0.106	41%	0.413	C	S	.	.	H	α-helix	trans	-76.1	-26.1	-176.8	-123	-56	0	0	0	114.6	L1247 G1248 K1249 Y1250 N1959 S1960 I1961 P1967	L1247-H1963 PolarHBondContact O-CE1 2.77Å; L1247-H1963 VanDerWaalsContact O-CE1 3.22Å; G1248-H1963 WeakPolarHBondContact CA-CE1 3.37Å; K1249-H1963 WeakPolarHBondContact CB-NE2 3.42Å; K1249-H1963 PolarHBondContact N-CE1 3.04Å; K1249-H1963 PolarHBondContact N-NE2 3.26Å; Y1250-H1963 HydrophobicContact CE2-CB 4.15Å; Y1250-H1963 AromaticContact CE2-CD2 3.92Å; Y1250-H1963 AromaticContact CE2-CG 3.92Å; N1959-H1963 WeakPolarHBondContact O-CB 3.39Å; N1959-H1963 PolarHBondContact O-N 3.18Å; S1960-H1963 PolarHBondContact O-N 2.76Å; S1960-H1963 VanDerWaalsContact O-N 3.14Å; I1961-H1963 PolarHBondContact O-N 2.88Å; H1963-P1967 WeakPolarHBondContact O-CD 3.21Å; H1963-P1967 WeakPolarHBondContact O-CG 3.45Å
1964	W	37.2	Very low	36.5	Very low	123 Å²	123	82 Å²	82	47%	0.466	43%	0.432	S	S	.	.	H	α-helix	trans	-83.5	-38.2	171.8	-72.2	43.3	0	0	0	110.1	S1960 I1961 I1966 P1967 I1968	S1960-W1964 PolarHBondContact O-N 2.78Å; I1961-W1964 PolarHBondContact O-N 2.89Å; W1964-I1966 PolarHBondContact O-N 2.77Å; W1964-P1967 WeakPolarHBondContact O-CD 3.18Å; W1964-I1968 WeakPolarHBondContact O-CB 3.34Å; W1964-I1968 WeakPolarHBondContact O-CD1 3.11Å; W1964-I1968 VanDerWaalsContact O-CG1 3.24Å; W1964-I1968 WeakPolarHBondContact O-CG1 3.23Å; W1964-I1968 PolarHBondContact O-N 3.25Å
1965	F	32.9	Very low	35.9	Very low	90 Å²	90	83.6 Å²	83.6	40%	0.395	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-41.4	-176.9	-127.4	-96	0	0	0	114.3	I1961 V1962 I1968 M1969	I1961-F1965 WeakPolarHBondContact O-CB 3.4Å; I1961-F1965 PolarHBondContact O-N 3.34Å; V1962-F1965 PolarHBondContact O-N 3.45Å; F1965-I1968 PolarHBondContact O-N 3.26Å; F1965-M1969 HydrophobicContact CD1-CE 4.32Å; F1965-M1969 HydrophobicContact CD1-CG 4.02Å; F1965-M1969 HydrophobicContact CD1-SD 4.13Å; F1965-M1969 HydrophobicContact CE1-CG 4.31Å; F1965-M1969 HydrophobicContact CE1-SD 4.18Å; F1965-M1969 WeakPolarHBondContact O-CG 3.23Å; F1965-M1969 PolarHBondContact O-N 3.27Å
1966	I	35.9	Very low	35.1	Very low	78 Å²	78	87.4 Å²	87.4	40%	0.4	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-48.5	-173.7	-67.8	171.9	0	0	0	112.5	V1962 W1964 I1968 M1969 S1970	V1962-I1966 HydrophobicContact CG1-CD1 3.76Å; V1962-I1966 HydrophobicContact CG1-CG1 4.41Å; V1962-I1966 PolarHBondContact O-N 3.24Å; W1964-I1966 PolarHBondContact O-N 2.77Å; I1966-I1968 VanDerWaalsContact C-N 3.33Å; I1966-I1968 PolarHBondContact O-N 3.46Å; I1966-M1969 PolarHBondContact O-N 3.46Å; I1966-S1970 VanDerWaalsContact O-CB 3.27Å; I1966-S1970 WeakPolarHBondContact O-CB 3.3Å; I1966-S1970 PolarHBondContact O-N 2.75Å
1967	P	31.9	Very low	34.2	Very low	60 Å²	60	91 Å²	91	39%	0.39	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-34.5	174.1	-24.2	35.6	0	0	0	113.8	H1963 W1964 S1970 S1971	H1963-P1967 WeakPolarHBondContact O-CD 3.21Å; H1963-P1967 WeakPolarHBondContact O-CG 3.45Å; W1964-P1967 WeakPolarHBondContact O-CD 3.18Å; P1967-S1970 PolarHBondContact O-N 2.68Å; P1967-S1971 PolarHBondContact O-N 3.41Å; P1967-S1971 PolarHBondContact O-OG 2.78Å
1968	I	34.7	Very low	33.5	Very low	74 Å²	74	91.3 Å²	91.3	38%	0.379	51%	0.51	S	S	.	.	H	α-helix	trans	-69	-46.4	177.8	-67.4	172.4	0	0	0	110.4	W1964 F1965 I1966 S1970 S1971 C1972	W1964-I1968 WeakPolarHBondContact O-CB 3.34Å; W1964-I1968 WeakPolarHBondContact O-CD1 3.11Å; W1964-I1968 VanDerWaalsContact O-CG1 3.24Å; W1964-I1968 WeakPolarHBondContact O-CG1 3.23Å; W1964-I1968 PolarHBondContact O-N 3.25Å; F1965-I1968 PolarHBondContact O-N 3.26Å; I1966-I1968 VanDerWaalsContact C-N 3.33Å; I1966-I1968 PolarHBondContact O-N 3.46Å; I1968-S1970 VanDerWaalsContact C-N 3.32Å; I1968-S1970 PolarHBondContact O-N 2.78Å; I1968-S1971 PolarHBondContact O-N 2.88Å; I1968-S1971 PolarHBondContact O-OG 2.8Å; I1968-S1971 VanDerWaalsContact O-OG 3.13Å; I1968-C1972 WeakPolarHBondContact O-CB 3.17Å; I1968-C1972 PolarHBondContact O-N 3.46Å; I1968-C1972 PolarHBondContact O-SG 3.38Å; I1968-C1972 VanDerWaalsContact O-SG 3.41Å
1969	M	31.5	Very low	32.8	Very low	87 Å²	87	96.7 Å²	96.7	43%	0.429	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-37.9	172.2	-72.2	-152.4	-56.2	0	0	112.7	F1965 I1966 S1971 C1972 L1973	F1965-M1969 HydrophobicContact CD1-CE 4.32Å; F1965-M1969 HydrophobicContact CD1-CG 4.02Å; F1965-M1969 HydrophobicContact CD1-SD 4.13Å; F1965-M1969 HydrophobicContact CE1-CG 4.31Å; F1965-M1969 HydrophobicContact CE1-SD 4.18Å; F1965-M1969 WeakPolarHBondContact O-CG 3.23Å; F1965-M1969 PolarHBondContact O-N 3.27Å; I1966-M1969 PolarHBondContact O-N 3.46Å; M1969-S1971 PolarHBondContact O-N 2.94Å; M1969-C1972 PolarHBondContact O-N 3.21Å; M1969-L1973 HydrophobicContact CB-CD1 4.23Å; M1969-L1973 HydrophobicContact CG-CD1 4.41Å; M1969-L1973 WeakPolarHBondContact O-CB 3.18Å; M1969-L1973 PolarHBondContact O-N 2.93Å; M1969-L1973 VanDerWaalsContact O-N 3.1Å; M1969-L1973 HydrophobicContact SD-CD1 4.29Å
1970	S	32.1	Very low	32	Very low	102 Å²	102	104.6 Å²	104.6	71%	0.713	56%	0.56	S	S	*	*	H	α-helix	trans	-64	-27.1	177.1	-167.6	0	0	0	0	113.4	I1966 P1967 I1968	I1966-S1970 VanDerWaalsContact O-CB 3.27Å; I1966-S1970 WeakPolarHBondContact O-CB 3.3Å; I1966-S1970 PolarHBondContact O-N 2.75Å; P1967-S1970 PolarHBondContact O-N 2.68Å; I1968-S1970 VanDerWaalsContact C-N 3.32Å; I1968-S1970 PolarHBondContact O-N 2.78Å
1971	S	31.7	Very low	31.4	Very low	76 Å²	76	115 Å²	115	53%	0.531	59%	0.594	S	S	.	*	H	α-helix	trans	-97.2	-21.6	179	52.1	0	0	0	0	114.3	P1967 I1968 M1969	P1967-S1971 PolarHBondContact O-N 3.41Å; P1967-S1971 PolarHBondContact O-OG 2.78Å; I1968-S1971 PolarHBondContact O-N 2.88Å; I1968-S1971 PolarHBondContact O-OG 2.8Å; I1968-S1971 VanDerWaalsContact O-OG 3.13Å; M1969-S1971 PolarHBondContact O-N 2.94Å
1972	C	32.2	Very low	30.6	Very low	79 Å²	79	119.6 Å²	119.6	53%	0.534	61%	0.611	S	S	.	*	H	α-helix	trans	-97.3	-15.1	179.6	-65.6	0	0	0	0	114.8	I1968 M1969	I1968-C1972 WeakPolarHBondContact O-CB 3.17Å; I1968-C1972 PolarHBondContact O-N 3.46Å; I1968-C1972 PolarHBondContact O-SG 3.38Å; I1968-C1972 VanDerWaalsContact O-SG 3.41Å; M1969-C1972 PolarHBondContact O-N 3.21Å
1973	L	28.3	Very low	30	Very low	115 Å²	115	123.1 Å²	123.1	60%	0.602	63%	0.627	S	S	*	*			trans	-114.7	91.9	-174.1	-66	172.5	0	0	0	114	M1969 P1975	M1969-L1973 HydrophobicContact CB-CD1 4.23Å; M1969-L1973 HydrophobicContact CG-CD1 4.41Å; M1969-L1973 WeakPolarHBondContact O-CB 3.18Å; M1969-L1973 PolarHBondContact O-N 2.93Å; M1969-L1973 VanDerWaalsContact O-N 3.1Å; M1969-L1973 HydrophobicContact SD-CD1 4.29Å; L1973-P1975 WeakPolarHBondContact O-CD 3.5Å
1974	L	27.6	Very low	29.5	Very low	160 Å²	160	125.9 Å²	125.9	84%	0.838	65%	0.647	S	S	*	*			trans	-61.2	121	147	-85.4	165.8	0	0	0	108.2	L1976	L1974-L1976 VanDerWaalsContact C-N 3.33Å; L1974-L1976 PolarHBondContact O-N 3.31Å
1975	P	30.6	Very low	28.9	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	66%	0.658	S	S	*	*			trans	-74.9	84.5	-177.1	29.3	-34.5	0	0	0	111.7	L1973	L1973-P1975 WeakPolarHBondContact O-CD 3.5Å
1976	L	27.4	Very low	28.5	Very low	164 Å²	164	126.9 Å²	126.9	86%	0.859	67%	0.665	S	S	*	*			trans	-59.2	128.9	158.3	-84.8	167.8	0	0	0	109	L1974 M1978	L1974-L1976 VanDerWaalsContact C-N 3.33Å; L1974-L1976 PolarHBondContact O-N 3.31Å; L1976-M1978 PolarHBondContact O-N 3.18Å
1977	P	25.9	Very low	28	Very low	118 Å²	118	132 Å²	132	77%	0.766	68%	0.684	S	S	*	*			trans	-89.6	106.2	-168.1	32.6	-34.4	0	0	0	112.5
1978	M	27.4	Very low	27.7	Very low	168 Å²	168	135.7 Å²	135.7	83%	0.828	70%	0.7	S	S	*	*			trans	-150.3	114.6	163	-122.4	175.9	-170.8	0	0	117.6	L1976	L1976-M1978 PolarHBondContact O-N 3.18Å
1979	K	27.8	Very low	27.4	Very low	184 Å²	184	136.2 Å²	136.2	80%	0.8	71%	0.708	S	S	*	*			trans	39.9	114.1	139.6	-65.2	-175.4	176.6	-176.1	0	120.2	R1981	K1979-R1981 PolarHBondContact O-N 3.2Å
1980	Q	24.7	Very low	27.2	Very low	196 Å²	196	142.2 Å²	142.2	92%	0.916	73%	0.727	S	S	*	*			trans	-25.7	123.8	150.6	-62.3	167	-20.5	0	0	115.5
1981	R	26.4	Very low	26.9	Very low	253 Å²	253	141.3 Å²	141.3	96%	0.955	71%	0.714	S	S	*	*			trans	-127.9	165.6	141.3	-81	-172.2	166.4	176.7	-4.9	108.4	K1979	K1979-R1981 PolarHBondContact O-N 3.2Å
1982	K	23.4	Very low	26.8	Very low	187 Å²	187	142.4 Å²	142.4	81%	0.813	72%	0.72	S	S	*	*			trans	-125.5	152.8	-152.5	-122.9	-173.9	179.7	-174.7	0	113.2
1983	L	24.3	Very low	26.5	Very low	128 Å²	128	142.3 Å²	142.3	67%	0.67	71%	0.714	S	S	*	*			trans	71	167.1	151.9	-73.2	166.9	0	0	0	117.2
1984	P	25	Very low	26.4	Very low	82 Å²	82	145.4 Å²	145.4	53%	0.532	72%	0.723	S	S	.	*			cis	-130.8	168.2	2.1	16.2	10.5	0	0	0	117.9	W1270	W1270-P1984 HydrophobicContact CH2-CB 3.42Å; W1270-P1984 VanDerWaalsContact CH2-CB 3.42Å; W1270-P1984 HydrophobicContact CH2-CG 3.33Å; W1270-P1984 HydrophobicContact CZ2-CB 3.53Å; W1270-P1984 HydrophobicContact CZ2-CG 4Å; W1270-P1984 HydrophobicContact CZ3-CB 4.38Å; W1270-P1984 HydrophobicContact CZ3-CG 3.95Å
1985	D	24.6	Very low	26.4	Very low	128 Å²	128	144.9 Å²	144.9	68%	0.684	72%	0.72	S	S	*	*			trans	-88.7	111.6	-174.4	-49.5	-90.4	0	0	0	118.1	W1270	W1270-D1985 VanDerWaalsContact CE2-O 3.32Å; W1270-D1985 VanDerWaalsContact CZ2-O 3.26Å; W1270-D1985 WeakPolarHBondContact CZ2-O 3.17Å; W1270-D1985 PolarHBondContact NE1-O 3.44Å
1986	I	26	Very low	26.3	Very low	106 Å²	106	143.5 Å²	143.5	54%	0.544	71%	0.711	S	S	.	*			trans	-96.2	125.5	175.4	-59.1	178.5	0	0	0	112.1	W1270	W1270-I1986 HydrophobicContact CD2-CD1 4.48Å; W1270-I1986 HydrophobicContact CD2-CG1 3.86Å; W1270-I1986 VanDerWaalsContact CE2-CG1 3.48Å; W1270-I1986 HydrophobicContact CE3-CD1 4.23Å; W1270-I1986 HydrophobicContact CE3-CG1 4.04Å; W1270-I1986 HydrophobicContact CH2-CD1 3.92Å; W1270-I1986 HydrophobicContact CH2-CG1 3.39Å; W1270-I1986 HydrophobicContact CZ2-CB 4.29Å; W1270-I1986 HydrophobicContact CZ2-CD1 4.27Å; W1270-I1986 HydrophobicContact CZ2-CG1 3.26Å; W1270-I1986 HydrophobicContact CZ3-CD1 3.93Å; W1270-I1986 HydrophobicContact CZ3-CG1 3.82Å
1987	K	25.2	Very low	26.4	Very low	185 Å²	185	144.8 Å²	144.8	80%	0.804	71%	0.706	S	S	*	*			trans	-103.6	148	170.8	-66.6	178.3	179.9	174.5	0	112
1988	L	26	Very low	26.4	Very low	138 Å²	138	145.4 Å²	145.4	72%	0.723	70%	0.699	S	S	*	*			trans	-138.2	156.7	162.4	-79.2	173.9	0	0	0	110.7
1989	P	26.7	Very low	26.4	Very low	84 Å²	84	144.8 Å²	144.8	55%	0.545	69%	0.691	S	S	.	*			trans	-115.5	165.6	-148.4	37.3	-25.7	0	0	0	117.3
1990	Y	27.2	Very low	26.4	Very low	214 Å²	214	140.8 Å²	140.8	84%	0.839	68%	0.682	S	S	*	*			trans	-67.9	151	179.2	-83.1	-101	0	0	0	114.8
1991	L	27.4	Very low	26.5	Very low	82 Å²	82	137.9 Å²	137.9	43%	0.429	67%	0.669	S	S	.	*			trans	-134.6	135.4	158.4	-113.8	156.6	0	0	0	109.3	Q1909 Q1912	Q1909-L1991 HydrophobicContact CG-CD1 4.31Å; Q1912-L1991 PolarHBondContact NE2-O 3.24Å
1992	C	27.8	Very low	26.6	Very low	99 Å²	99	135.2 Å²	135.2	67%	0.669	66%	0.658	S	S	*	*			trans	-144.9	147	-168	-176	0	0	0	0	112
1993	L	27.6	Very low	26.8	Very low	77 Å²	77	133.4 Å²	133.4	40%	0.403	66%	0.658	S	S	.	*			trans	-131.9	96.3	-176.6	-69	168.1	0	0	0	112.5	Q1912 T1916	Q1912-L1993 HydrophobicContact CG-CD1 4.43Å; T1916-L1993 HydrophobicContact CG2-CD2 3.62Å; T1916-L1993 WeakPolarHBondContact OG1-CD1 3.1Å; T1916-L1993 WeakPolarHBondContact OG1-CD2 3.45Å
1994	K	25.5	Very low	26.9	Very low	181 Å²	181	130.2 Å²	130.2	79%	0.787	66%	0.656	S	S	*	*			trans	-79.4	151.9	159.6	-62.2	177.9	177.2	-179.8	0	110.3
1995	L	27.1	Very low	27	Very low	148 Å²	148	133.5 Å²	133.5	78%	0.775	67%	0.669	S	S	*	*			trans	-163.1	157.2	141.7	-98.1	176.9	0	0	0	107.3
1996	P	29.7	Very low	27.2	Very low	91 Å²	91	133.5 Å²	133.5	59%	0.591	67%	0.669	S	S	*	*				-137.5	-148.1	-112.7	45.7	-28.7	0	0	0	114.8
1997	Y	27.9	Very low	27.4	Very low	191 Å²	191	139.1 Å²	139.1	75%	0.749	69%	0.685	S	S	*	*			trans	105.1	100.9	176.7	-68	-80.8	0	0	0	113.3
1998	E	27	Very low	27.5	Very low	132 Å²	132	133.6 Å²	133.6	62%	0.617	68%	0.681	S	S	*	*				76.5	141.3	66.7	-73	-161.9	146.9	0	0	112.5
1999	K	26.9	Very low	27.5	Very low	154 Å²	154	135.6 Å²	135.6	67%	0.67	69%	0.687	S	S	*	*			cis	-166.9	173	15.6	-129.7	169.9	-176.3	134.3	0	112.2
2000	V	27.5	Very low	27.6	Very low	100 Å²	100	138.3 Å²	138.3	61%	0.606	70%	0.697	S	S	*	*			trans	71	104.1	148.2	165.5	0	0	0	0	116.3
2001	E	26.8	Very low	27.5	Very low	136 Å²	136	136 Å²	136	64%	0.636	69%	0.693	S	S	*	*				77.9	154.2	92.8	-69.3	167.3	-146.2	0	0	114
2002	R	29.5	Very low	27.4	Very low	196 Å²	196	137.1 Å²	137.1	74%	0.74	71%	0.707	S	S	*	*			cis	-152.3	157.1	3.8	-140.9	178	-86.2	-158.5	-6	113
2003	D	26.5	Very low	27.3	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	71%	0.714	S	S	*	*			trans	-30.9	155.2	167.3	-40.8	-47	0	0	0	121
2004	G	28	Very low	27.2	Very low	62 Å²	62	144.8 Å²	144.8	64%	0.639	73%	0.733	S	S	*	*			trans	87.9	157.8	149	0	0	0	0	0	119.4
2005	D	26.9	Very low	27.3	Very low	151 Å²	151	143 Å²	143	81%	0.807	73%	0.731	S	S	*	*			cis	-162.4	152.4	-19.1	-89.4	-39.7	0	0	0	109
2006	D	27.7	Very low	27.2	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	72%	0.723	S	S	*	*			trans	47.3	162.7	155.4	-70.9	-24.8	0	0	0	123.6
2007	Y	30.8	Very low	27	Very low	224 Å²	224	144.8 Å²	144.8	88%	0.878	73%	0.732	S	S	*	*			trans	66.2	142.2	172.4	-47.1	-75.9	0	0	0	116.7
2008	G	27.7	Very low	26.9	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	73%	0.73	S	S	*	*			cis	-179.9	167.1	-2.2	0	0	0	0	0	110.6
2009	E	26.2	Very low	26.7	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	74%	0.738	S	S	*	*			trans	-58.7	142.2	170.3	-63.5	147.9	133.3	0	0	110
2010	D	27.2	Very low	26.5	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	74%	0.742	S	S	*	*				-179.5	147.1	100.9	-98.4	-30.9	0	0	0	116.6
2011	E	25.9	Very low	26.2	Very low	164 Å²	164	146.2 Å²	146.2	77%	0.766	75%	0.746	S	S	*	*			trans	57.4	141.4	140	-68	-158.7	143.4	0	0	126.4
2012	C	25	Very low	26.1	Very low	106 Å²	106	146.6 Å²	146.6	72%	0.716	75%	0.75	S	S	*	*			trans	72	108.4	137.8	-74.1	0	0	0	0	122.5
2013	E	26.6	Very low	25.9	Very low	177 Å²	177	141.1 Å²	141.1	83%	0.827	74%	0.742	S	S	*	*			trans	-30	146.6	133.4	-46.5	177.7	111.4	0	0	114.6
2014	M	25	Very low	25.8	Very low	160 Å²	160	140.7 Å²	140.7	79%	0.788	74%	0.74	S	S	*	*			trans	-174.1	145	133	-106.3	-59.4	162.2	0	0	112.3
2015	L	27	Very low	25.9	Very low	144 Å²	144	144.1 Å²	144.1	75%	0.754	74%	0.744	S	S	*	*			trans	61.5	148.8	155	-56.5	170.2	0	0	0	120.2
2016	T	25.7	Very low	25.9	Very low	98 Å²	98	144 Å²	144	60%	0.601	74%	0.742	S	S	*	*				-170.9	142.9	-52.9	21.3	0	0	0	0	109.1
2017	K	24.8	Very low	25.9	Very low	179 Å²	179	142.5 Å²	142.5	78%	0.778	74%	0.742	S	S	*	*			trans	57.8	147.1	138.5	-66.1	177.6	178.1	173.7	0	122.8
2018	N	26	Very low	25.7	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	73%	0.73	S	S	*	*			trans	81	99.8	145.2	-65.1	-3.5	0	0	0	122.5
2019	Y	22.6	Very low	25.7	Very low	198 Å²	198	141 Å²	141	78%	0.776	73%	0.731	S	S	*	*				47.4	140.9	102.4	-84.6	-80.8	0	0	0	123.5
2020	F	22.7	Very low	25.7	Very low	175 Å²	175	140.1 Å²	140.1	77%	0.768	73%	0.725	S	S	*	*			trans	86.2	105.4	144.5	-79.8	-55.4	0	0	0	122.8
2021	C	22.7	Very low	25.6	Very low	100 Å²	100	140.6 Å²	140.6	68%	0.676	72%	0.724	S	S	*	*				73.1	139.9	119.3	-92.7	0	0	0	0	125.5
2022	I	23.4	Very low	25.6	Very low	143 Å²	143	137.7 Å²	137.7	73%	0.733	72%	0.722	S	S	*	*			trans	84.3	98.4	136.5	-70.2	166.4	0	0	0	119.6
2023	S	24.8	Very low	25.6	Very low	81 Å²	81	138.8 Å²	138.8	57%	0.566	73%	0.726	S	S	*	*				76.4	150.8	124.2	88.2	0	0	0	0	123.5
2024	D	26.2	Very low	25.9	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	72%	0.72	S	S	*	*			trans	63.4	156.8	156.8	-42	-40.2	0	0	0	117.6
2025	D	28.6	Very low	25.8	Very low	133 Å²	133	135.8 Å²	135.8	71%	0.711	72%	0.719	S	S	*	*			cis	-152.9	170.1	7.4	-153.8	-13.3	0	0	0	111
2026	L	27.3	Very low	25.6	Very low	149 Å²	149	135.7 Å²	135.7	78%	0.78	72%	0.72	S	S	*	*			trans	63.9	158.8	160.8	-62.2	164.8	0	0	0	116.9
2027	S	26.9	Very low	25.9	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	73%	0.731	S	S	*	*			cis	-170.2	163.5	-19.6	61.3	0	0	0	0	107
2028	T	27.6	Very low	26	Very low	105 Å²	105	136.6 Å²	136.6	64%	0.644	73%	0.729	S	S	*	*			cis	-164.7	151.7	-6.7	9.1	0	0	0	0	108.8
2029	E	27.4	Very low	26	Very low	158 Å²	158	136.7 Å²	136.7	74%	0.738	73%	0.73	S	S	*	*			trans	65.1	159.6	147.2	-60.5	177	151	0	0	119.3
2030	F	26.2	Very low	26.1	Very low	161 Å²	161	133.3 Å²	133.3	71%	0.706	73%	0.727	S	S	*	*			cis	-149.3	142.7	-7.2	-132.9	-149.3	0	0	0	112.8
2031	M	26.1	Very low	26.4	Very low	152 Å²	152	130.9 Å²	130.9	75%	0.749	73%	0.725	S	S	*	*			trans	27.7	160.8	140.9	-51.5	-155.1	86.8	0	0	125.2
2032	S	26.1	Very low	26.6	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	73%	0.728	S	S	*	*			trans	73.2	133	175.1	71.7	0	0	0	0	116
2033	T	24.7	Very low	26.8	Very low	128 Å²	128	132.1 Å²	132.1	79%	0.785	73%	0.727	S	S	*	*			cis	73.3	150.7	23	84.7	0	0	0	0	115.1
2034	P	31.5	Very low	26.9	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	74%	0.739	S	S	*	*				-128.5	-144.9	-62.9	35.2	-17.5	0	0	0	110.7
2035	Q	23.3	Very low	27	Very low	166 Å²	166	135.4 Å²	135.4	78%	0.776	74%	0.738	S	S	*	*			trans	84	132.4	167.1	-54.9	-177.9	-26	0	0	118.7
2036	N	23.3	Very low	26.9	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	74%	0.74	S	S	*	*			trans	47.6	132.7	149.6	-47.4	-12.2	0	0	0	119.3
2037	D	31.9	Very low	26.8	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	74%	0.736	S	S	*	*			cis	-124.6	0	13.6	-90.5	-40.7	0	0	0	113.2	R26	R26-D2037 HydrophobicContact CG-CB 4.43Å; R26-D2037 IonicContact CZ-OD1 3.44Å; R26-D2037 IonicContact NE-OD1 3.9Å; R26-D2037 PolarHBondContact NE-OXT 3.13Å; R26-D2037 PolarHBondContact NH1-OXT 3.36Å; R26-D2037 IonicContact NH2-OD1 2.66Å; R26-D2037 PolarHBondContact NH2-OD1 2.91Å

Retrieved 2,037 of 2,037 residues in 2528.2 ms (Link to these results)

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