A0A3Q0KLP0_SCHMA Loading...

Sema domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,815 aa.

						>A0A3Q0KLP0_SCHMA|A0A3Q0KLP0
MISWNYKYVDYLNCIKLYSFKSYSFGFIYIILQLINLTYSIESNLKWLIYSNQIMDTYSIKDLISMGQGNIFYHLHSGNYTNLLELPQLDSIFVIGNRNAIFRLNPENLRLMASFELPSKPITSFCMTNTKTPCIETPGFNLLLQTHDKQNIWYCYLYQTVYMNHNVIPNVQSARCEIPSPLNLEPESRLVQWENSVYSSLDINRPGVSLMGSDGFLYSSGWFHGAMRIHRSRLPNFDGKANWNQFLATPPDEVFLKESTHFICAFETSDSVYFLIRELKSPTCEARIHNRFVQTSSSFADTDNVQFSSSSFSSSSFSKSSTKTTILSSINETPVTRLIRICKSDPGGYQYVNEGEFVTFSKVTLECKFHQNHPIDYYNYKTENKKELFTDPLLTEFSYGYSISGKWDPLDNKLYVSYQTGMKYPTGDALCVYALNDIEDAFNSQLAPNENLGKTQILPNTFENVCKNLASGQLTESNIDKIRQLPRTHLLRVKHVHPIDNRPLIIRPVPGLPFQQINHQLGWYHIEIDHSDKNVILYLAGKKHIERYGLFNLSTDDTMEICPWDQLTIEDFGIENEIITGIYMKHIKPNKEFYILTSNHVIQLPRFIQLCETIKKSSECINTNLMLCKWNNQINQCEIKNKLLLINNNNNLLINKKIFFDKNQKNQILLLNNILTKFSTSNSNFCLFDKNKLKKYINNNLIDYWWKNLQGHLRQQQQQHHHQHHHQHHHQQQRTMINQQNELIQNIQSSIICMTSIWSPIINQYQNLTCHCQPCMDCINDELYRIEINNCQIHPSWSLWSPWSSCSSDCGHGIRTRMRRCDSPQPVEMKINNQNTKKLIGCKHSYEIPVDENPYPPEVELQVEQCQQNNKVCNHEVSSSVLSEKQIYHLGETFLKWNNWKDCSAKCGIGMKTRNLICSTNMNKWDQSDSSQCSIINSEIVDTRICENFTCQQEIVHSEWTPWFKVLPNNPRILKYTTIPGQFNSRVYYEQRLRHSCSVPFENADDLQIVSTQIVERKCFNIDQKCSTVSNIINSQTDEENRILSETIERSNSIWSPWSEWSECNQNCIPLESISSDDQLDKQQTKFSSTILYTSNQYQTRTRKCLSSVCSQNNRLDAVIDLRRCPSKPACKSGWSCWSDWSNCFPKKYDKRNKNSPCSWRDDDGESTRTRTCILTPYDQNPEKQKIICNGYEQMKKQCIWFGGDQTECSEFNLTGIYSDIPIDINTNYHKTSVWSSWSTWSSCGLIQTQTSENKLQSSENSLDPTSPHLLAVRTRECQLINIDNSELHVVDNHRTVCSGSWNQMKTCPNMALNIAGVFGHMNRKRIKNKFTTLHIILIGLLSFVAGILVAGVGIIIYHRECHKRHLNRNINGNSKNNNISKLRSELVPEDDINNLHPNHLNFSPPPQPILTLPIPNIVTSSINENSLNCGYQKAHSIVYDSVASQDGVTYLEPNLNYQRKPNNDQPNAYSRLNYVPDSFSPDEAFNRREATTTVANKIDGMLRNDGFWSYPRSGRLMTLSNPLNFYEDNVSNLPTQYYDDTLGCQLRHHQQHHNPNLASQFYSTDIHHLLRSEDNRGNCGKYLNSALSTSPSGYKPSGIFNRINIDKVQQYSQPPILIPQSHPEYRRKSQIHNQTISTISTQLEPWYASAAIGLPNSSSNSNSNRRLMSDYGTSPIDMTNTHQYRHEHVVSRDENNDNNHEESFRFPPKMPILSERHKLYDVNSQSRLIPSLSVYSHHSYSSNFLDADNRSSVWSGGESIPFERPSNPHLREPNEFFEQQSPSSLLFPSPSRPPHITSENIPSSVPVTTYCMTP
					

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(Predicted Aligned Error values between residue pairs)

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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	27.6	Very low	28.2	Very low	220 Å²	220	167.3 Å²	167.3	100%	1.084	78%	0.777	S	S	*	*				0	150.9	0	-74.1	159.4	70.6	0	0	108.5
2	I	25.7	Very low	28.3	Very low	149 Å²	149	163.4 Å²	163.4	76%	0.764	77%	0.765	S	S	*	*			trans	42.7	119.7	135.6	-55.6	170.9	0	0	0	116.2
3	S	25.2	Very low	28.2	Very low	87 Å²	87	165.2 Å²	165.2	61%	0.608	78%	0.783	S	S	*	*			cis	-169.9	149.9	15.7	43.6	0	0	0	0	115.8
4	W	27.2	Very low	28	Very low	214 Å²	214	159.9 Å²	159.9	81%	0.811	77%	0.771	S	S	*	*			trans	75.8	125.2	141.3	-70.8	20.2	0	0	0	118.5
5	N	31.1	Very low	28.1	Very low	121 Å²	121	159.5 Å²	159.5	65%	0.647	77%	0.773	S	S	*	*				79.9	149.4	61.3	-68.1	-24.7	0	0	0	112.7
6	Y	30.3	Very low	28.1	Very low	179 Å²	179	161.9 Å²	161.9	70%	0.702	78%	0.778	S	S	*	*			cis	-158.2	165.6	28	-129.1	-56.8	0	0	0	113.5
7	K	27.6	Very low	28	Very low	175 Å²	175	161.3 Å²	161.3	76%	0.761	78%	0.779	S	S	*	*			trans	74.2	107.4	153.9	-68.7	179.6	-178.5	-177	0	118.9
8	Y	31	Very low	27.9	Very low	226 Å²	226	165.1 Å²	165.1	89%	0.886	79%	0.785	S	S	*	*				-140.6	126.7	83.3	-125.5	-92.3	0	0	0	110.7
9	V	29	Very low	28	Very low	115 Å²	115	161.5 Å²	161.5	70%	0.697	78%	0.78	S	S	*	*			trans	-130.7	125.7	168.8	172.3	0	0	0	0	105
10	D	27.4	Very low	27.8	Very low	142 Å²	142	162.3 Å²	162.3	76%	0.759	78%	0.78	S	S	*	*			trans	157.6	81.8	152.3	-83.9	-23.7	0	0	0	109.6
11	Y	27.6	Very low	27.7	Very low	212 Å²	212	163.7 Å²	163.7	83%	0.831	78%	0.782	S	S	*	*	S	Bend	trans	-150.7	102	143.1	-136.8	-116	0	0	0	112.5
12	L	29.9	Very low	27.8	Very low	121 Å²	121	157.6 Å²	157.6	63%	0.634	76%	0.762	S	S	*	*			trans	63.9	82.5	154.8	-55.3	-177.8	0	0	0	119	C14	L12-C14 HydrophobicContact CB-CB 4.18Å; L12-C14 PolarHBondContact O-N 3.42Å
13	N	27.2	Very low	28	Very low	186 Å²	186	161.6 Å²	161.6	100%	0.995	77%	0.768	S	S	*	*			trans	-64.4	70.3	138.5	-86.6	-60.3	0	0	0	110.4
14	C	24.8	Very low	28.7	Very low	91 Å²	91	160.9 Å²	160.9	62%	0.615	76%	0.763	S	S	*	*			trans	-122.4	156.3	172.5	-156.7	0	0	0	0	110.2	L12	L12-C14 HydrophobicContact CB-CB 4.18Å; L12-C14 PolarHBondContact O-N 3.42Å
15	I	30.3	Very low	29.1	Very low	155 Å²	155	158.3 Å²	158.3	80%	0.795	76%	0.758	S	S	*	*			trans	67.8	67.8	-176.8	-42.6	174.5	0	0	0	113.3
16	K	28.5	Very low	29.3	Very low	198 Å²	198	154.6 Å²	154.6	86%	0.861	75%	0.749	S	S	*	*			trans	-69.2	156.9	142	-107.4	-179.3	178.6	176.5	0	108.7
17	L	26.5	Very low	29.9	Very low	151 Å²	151	152.8 Å²	152.8	79%	0.791	75%	0.745	S	S	*	*			trans	64	100.4	173	-58.8	161	0	0	0	115
18	Y	26.1	Very low	30.8	Very low	229 Å²	229	148.2 Å²	148.2	90%	0.898	73%	0.728	S	S	*	*				-165.7	139.1	105.6	-109.8	-77.7	0	0	0	109.9
19	S	28.2	Very low	31.4	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	71%	0.713	S	S	*	*			trans	-83.4	136.5	167.9	49.1	0	0	0	0	109.9
20	F	24.3	Very low	32.4	Very low	178 Å²	178	143.6 Å²	143.6	78%	0.781	70%	0.704	S	S	*	*			trans	170.1	138.9	136.5	-103.3	-75.9	0	0	0	111.3
21	K	25.8	Very low	33.7	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.835	69%	0.685	S	S	*	*			trans	34.8	92.2	156.5	-71.1	167.1	178.3	179.3	0	118.6
22	S	29.7	Very low	34.8	Very low	92 Å²	92	134.7 Å²	134.7	64%	0.643	67%	0.669	S	S	*	*			trans	-149.9	40.7	166.7	53	0	0	0	0	115	S24	S22-S24 PolarHBondContact O-N 3.35Å
23	Y	30	Very low	35.5	Very low	232 Å²	232	133 Å²	133	91%	0.91	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-1	179.9	-100.2	-85.7	0	0	0	116.7
24	S	40.7	Very low	36.3	Very low	72 Å²	72	128.6 Å²	128.6	50%	0.503	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-42.9	-175.7	-165.1	0	0	0	0	113.8	S22 G26 F27 I28	S22-S24 PolarHBondContact O-N 3.35Å; S24-G26 PolarHBondContact O-N 2.65Å; S24-F27 WeakPolarHBondContact O-CB 3.17Å; S24-F27 PolarHBondContact O-N 3.31Å; S24-F27 VanDerWaalsContact O-N 3.14Å; S24-I28 WeakPolarHBondContact O-CG1 3.28Å; S24-I28 PolarHBondContact O-N 3.13Å
25	F	35.4	Very low	37.6	Very low	160 Å²	160	127.8 Å²	127.8	70%	0.702	62%	0.623	S	S	*	*	H	α-helix	trans	-71	-36.4	-171.8	-85.7	-83.3	0	0	0	113.8	F27 I28 Y29	F25-F27 VanDerWaalsContact C-N 3.26Å; F25-F27 PolarHBondContact O-N 3.29Å; F25-I28 PolarHBondContact O-N 3.32Å; F25-Y29 WeakPolarHBondContact O-CB 3.48Å; F25-Y29 PolarHBondContact O-N 2.99Å
26	G	35.9	Very low	38.1	Very low	44 Å²	44	125.3 Å²	125.3	45%	0.454	61%	0.611	S	S	.	*	H	α-helix	trans	-62.2	-36.4	171.2	0	0	0	0	0	112	S24 Y29 I30	S24-G26 PolarHBondContact O-N 2.65Å; G26-Y29 PolarHBondContact O-N 3.08Å; G26-I30 WeakPolarHBondContact O-CB 3.42Å; G26-I30 WeakPolarHBondContact O-CD1 3.37Å; G26-I30 VanDerWaalsContact O-CG1 3.24Å; G26-I30 WeakPolarHBondContact O-CG1 3.29Å; G26-I30 PolarHBondContact O-N 3.2Å
27	F	41.4	Very low	38.5	Very low	141 Å²	141	119.1 Å²	119.1	62%	0.618	59%	0.587	S	S	*	*	H	α-helix	trans	-69.9	-40.5	176.9	-149.1	-104.8	0	0	0	111.6	S24 F25 I30 I31	S24-F27 WeakPolarHBondContact O-CB 3.17Å; S24-F27 PolarHBondContact O-N 3.31Å; S24-F27 VanDerWaalsContact O-N 3.14Å; F25-F27 VanDerWaalsContact C-N 3.26Å; F25-F27 PolarHBondContact O-N 3.29Å; F27-I30 PolarHBondContact O-N 3.34Å; F27-I31 HydrophobicContact CD1-CD1 3.55Å; F27-I31 HydrophobicContact CD1-CG1 4.33Å; F27-I31 HydrophobicContact CE1-CD1 3.74Å; F27-I31 HydrophobicContact CE1-CG1 4.46Å; F27-I31 WeakPolarHBondContact O-CB 3.4Å; F27-I31 VanDerWaalsContact O-CG1 3.24Å; F27-I31 WeakPolarHBondContact O-CG1 3.32Å; F27-I31 PolarHBondContact O-N 3.25Å
28	I	48.1	Very low	39.1	Very low	78 Å²	78	115.7 Å²	115.7	40%	0.4	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-40.9	173.4	-66.9	166.9	0	0	0	111.4	S24 F25 I31 L32	S24-I28 WeakPolarHBondContact O-CG1 3.28Å; S24-I28 PolarHBondContact O-N 3.13Å; F25-I28 PolarHBondContact O-N 3.32Å; I28-I31 PolarHBondContact O-N 3.28Å; I28-L32 HydrophobicContact CG2-CD1 4.02Å; I28-L32 WeakPolarHBondContact O-CB 3.37Å; I28-L32 WeakPolarHBondContact O-CG 3.23Å; I28-L32 PolarHBondContact O-N 2.72Å
29	Y	43.3	Very low	39.7	Very low	148 Å²	148	113 Å²	113	58%	0.58	56%	0.562	S	S	*	*	H	α-helix	trans	-66.8	-41.5	176.3	-174.3	-100.9	0	0	0	112.1	F25 G26 L32 Q33	F25-Y29 WeakPolarHBondContact O-CB 3.48Å; F25-Y29 PolarHBondContact O-N 2.99Å; G26-Y29 PolarHBondContact O-N 3.08Å; Y29-L32 PolarHBondContact O-N 3.39Å; Y29-Q33 HydrophobicContact CD1-CG 4.17Å; Y29-Q33 HydrophobicContact CE1-CG 3.79Å; Y29-Q33 HydrophobicContact CE2-CG 4.5Å; Y29-Q33 WeakPolarHBondContact O-CB 3.39Å; Y29-Q33 WeakPolarHBondContact O-CG 3.42Å; Y29-Q33 PolarHBondContact O-N 3.44Å; Y29-Q33 PolarHBondContact OH-NE2 3.25Å
30	I	48.6	Very low	39.9	Very low	97 Å²	97	110.7 Å²	110.7	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-65.5	-38.6	173.6	-70.3	166.1	0	0	0	110.8	G26 F27 Q33 L34	G26-I30 WeakPolarHBondContact O-CB 3.42Å; G26-I30 WeakPolarHBondContact O-CD1 3.37Å; G26-I30 VanDerWaalsContact O-CG1 3.24Å; G26-I30 WeakPolarHBondContact O-CG1 3.29Å; G26-I30 PolarHBondContact O-N 3.2Å; F27-I30 PolarHBondContact O-N 3.34Å; I30-Q33 PolarHBondContact O-N 2.8Å; I30-L34 HydrophobicContact CG2-CD1 3.83Å; I30-L34 HydrophobicContact CG2-CG 4.33Å; I30-L34 VanDerWaalsContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CB 2.92Å; I30-L34 VanDerWaalsContact O-CG 3.22Å; I30-L34 WeakPolarHBondContact O-CG 2.98Å; I30-L34 PolarHBondContact O-N 3.5Å
31	I	56.6	Low	40.5	Very low	73 Å²	73	106.3 Å²	106.3	37%	0.374	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-43.6	172.8	-76	168.3	0	0	0	111.2	F27 I28 L34 I35	F27-I31 HydrophobicContact CD1-CD1 3.55Å; F27-I31 HydrophobicContact CD1-CG1 4.33Å; F27-I31 HydrophobicContact CE1-CD1 3.74Å; F27-I31 HydrophobicContact CE1-CG1 4.46Å; F27-I31 WeakPolarHBondContact O-CB 3.4Å; F27-I31 VanDerWaalsContact O-CG1 3.24Å; F27-I31 WeakPolarHBondContact O-CG1 3.32Å; F27-I31 PolarHBondContact O-N 3.25Å; I28-I31 PolarHBondContact O-N 3.28Å; I31-L34 CarbonylContact O-C 3.46Å; I31-L34 PolarHBondContact O-N 3.49Å; I31-I35 HydrophobicContact CG2-CD1 3.62Å; I31-I35 HydrophobicContact CG2-CG1 4.31Å; I31-I35 WeakPolarHBondContact O-CB 3.03Å; I31-I35 WeakPolarHBondContact O-CG1 3.12Å; I31-I35 PolarHBondContact O-N 3.36Å
32	L	49.6	Very low	40.9	Very low	93 Å²	93	101 Å²	101	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-39.6	176.4	-77.7	165.9	0	0	0	112.1	I28 Y29 I35 N36	I28-L32 HydrophobicContact CG2-CD1 4.02Å; I28-L32 WeakPolarHBondContact O-CB 3.37Å; I28-L32 WeakPolarHBondContact O-CG 3.23Å; I28-L32 PolarHBondContact O-N 2.72Å; Y29-L32 PolarHBondContact O-N 3.39Å; L32-I35 PolarHBondContact O-N 3.1Å; L32-N36 WeakPolarHBondContact O-CB 3.2Å; L32-N36 PolarHBondContact O-N 3.42Å
33	Q	44.6	Very low	41.1	Very low	85 Å²	85	99.1 Å²	99.1	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-39.9	172.5	-73.3	-67.7	-6.2	0	0	111.5	Y29 I30 N36 L37	Y29-Q33 HydrophobicContact CD1-CG 4.17Å; Y29-Q33 HydrophobicContact CE1-CG 3.79Å; Y29-Q33 HydrophobicContact CE2-CG 4.5Å; Y29-Q33 WeakPolarHBondContact O-CB 3.39Å; Y29-Q33 WeakPolarHBondContact O-CG 3.42Å; Y29-Q33 PolarHBondContact O-N 3.44Å; Y29-Q33 PolarHBondContact OH-NE2 3.25Å; I30-Q33 PolarHBondContact O-N 2.8Å; Q33-N36 PolarHBondContact O-N 3.27Å; Q33-L37 VanDerWaalsContact O-CB 3.31Å; Q33-L37 WeakPolarHBondContact O-CB 3.05Å; Q33-L37 PolarHBondContact O-N 3.48Å
34	L	45.1	Very low	41.1	Very low	94 Å²	94	92.1 Å²	92.1	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-69.8	-30.7	174.1	-74.1	169.4	0	0	0	112.9	I30 I31 L37 T38	I30-L34 HydrophobicContact CG2-CD1 3.83Å; I30-L34 HydrophobicContact CG2-CG 4.33Å; I30-L34 VanDerWaalsContact O-CB 3.29Å; I30-L34 WeakPolarHBondContact O-CB 2.92Å; I30-L34 VanDerWaalsContact O-CG 3.22Å; I30-L34 WeakPolarHBondContact O-CG 2.98Å; I30-L34 PolarHBondContact O-N 3.5Å; I31-L34 CarbonylContact O-C 3.46Å; I31-L34 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-T38 WeakPolarHBondContact O-CB 3.05Å; L34-T38 WeakPolarHBondContact O-CG2 3.32Å; L34-T38 PolarHBondContact O-N 3.07Å; L34-T38 PolarHBondContact O-OG1 3.01Å; L34-T38 VanDerWaalsContact O-OG1 3.04Å
35	I	51.5	Low	40.7	Very low	75 Å²	75	92.3 Å²	92.3	39%	0.385	47%	0.469	S	S	.	.	H	α-helix	trans	-70.5	-42	172.4	-73.6	166.2	0	0	0	110.2	I31 L32 L37 T38 Y39	I31-I35 HydrophobicContact CG2-CD1 3.62Å; I31-I35 HydrophobicContact CG2-CG1 4.31Å; I31-I35 WeakPolarHBondContact O-CB 3.03Å; I31-I35 WeakPolarHBondContact O-CG1 3.12Å; I31-I35 PolarHBondContact O-N 3.36Å; L32-I35 PolarHBondContact O-N 3.1Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-T38 WeakPolarHBondContact CA-OG1 3.33Å; I35-T38 PolarHBondContact O-N 2.63Å; I35-T38 PolarHBondContact O-OG1 3.45Å; I35-Y39 HydrophobicContact CG2-CD2 4.27Å; I35-Y39 WeakPolarHBondContact O-CB 3.4Å; I35-Y39 PolarHBondContact O-N 3.06Å
36	N	40.8	Very low	40.5	Very low	102 Å²	102	90.4 Å²	90.4	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-66.2	-35.9	171.4	-78.1	-13.1	0	0	0	111.6	L32 Q33 S40	L32-N36 WeakPolarHBondContact O-CB 3.2Å; L32-N36 PolarHBondContact O-N 3.42Å; Q33-N36 PolarHBondContact O-N 3.27Å; N36-S40 WeakPolarHBondContact O-CB 3.34Å; N36-S40 PolarHBondContact O-N 3.39Å
37	L	37.3	Very low	40.2	Very low	69 Å²	69	93.8 Å²	93.8	36%	0.361	46%	0.459	S	S	.	.	H	α-helix	trans	-68	-40.4	174.5	-141.8	78.2	0	0	0	111	Q33 L34 I35 S40 I41 W758	Q33-L37 VanDerWaalsContact O-CB 3.31Å; Q33-L37 WeakPolarHBondContact O-CB 3.05Å; Q33-L37 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 2.84Å; I35-L37 VanDerWaalsContact C-N 3.33Å; L37-S40 CarbonylContact O-C 3.55Å; L37-S40 PolarHBondContact O-N 3.1Å; L37-I41 HydrophobicContact CD2-CD1 4.27Å; L37-I41 HydrophobicContact CG-CD1 4.13Å; L37-I41 VanDerWaalsContact O-CB 3.25Å; L37-I41 WeakPolarHBondContact O-CB 3.37Å; L37-I41 WeakPolarHBondContact O-CD1 3.02Å; L37-I41 WeakPolarHBondContact O-CG1 3.1Å; L37-I41 PolarHBondContact O-N 3.21Å; L37-W758 HydrophobicContact CD1-CH2 4.02Å
38	T	38.7	Very low	39.6	Very low	79 Å²	79	92 Å²	92	49%	0.485	46%	0.455	S	S	.	.	H	α-helix	trans	-73.7	-30.8	175.6	54	0	0	0	0	112.9	L34 I35 I41 E42	L34-T38 WeakPolarHBondContact O-CB 3.05Å; L34-T38 WeakPolarHBondContact O-CG2 3.32Å; L34-T38 PolarHBondContact O-N 3.07Å; L34-T38 PolarHBondContact O-OG1 3.01Å; L34-T38 VanDerWaalsContact O-OG1 3.04Å; I35-T38 WeakPolarHBondContact CA-OG1 3.33Å; I35-T38 PolarHBondContact O-N 2.63Å; I35-T38 PolarHBondContact O-OG1 3.45Å; T38-I41 PolarHBondContact O-N 3.23Å; T38-E42 WeakPolarHBondContact O-CB 3.31Å; T38-E42 WeakPolarHBondContact O-CG 3.43Å; T38-E42 PolarHBondContact O-N 2.88Å
39	Y	38	Very low	38.9	Very low	171 Å²	171	91.2 Å²	91.2	67%	0.671	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-43.7	167.1	-104.4	-91.4	0	0	0	111.7	I35 I41 E42 S43	I35-Y39 HydrophobicContact CG2-CD2 4.27Å; I35-Y39 WeakPolarHBondContact O-CB 3.4Å; I35-Y39 PolarHBondContact O-N 3.06Å; Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-E42 PolarHBondContact O-N 3.36Å; Y39-S43 PolarHBondContact O-N 2.04Å; Y39-S43 PolarHBondContact O-OG 2.94Å
40	S	33.6	Very low	38.3	Very low	50 Å²	50	92 Å²	92	35%	0.35	46%	0.455	S	S	.	.	H	α-helix	trans	-65	-35	174.4	-174.7	0	0	0	0	112	N36 L37 S43 N44	N36-S40 WeakPolarHBondContact O-CB 3.34Å; N36-S40 PolarHBondContact O-N 3.39Å; L37-S40 CarbonylContact O-C 3.55Å; L37-S40 PolarHBondContact O-N 3.1Å; S40-S43 WeakPolarHBondContact CA-OG 3.44Å; S40-S43 PolarHBondContact O-OG 3.28Å; S40-N44 WeakPolarHBondContact O-CB 3.46Å; S40-N44 VanDerWaalsContact O-CG 3.28Å; S40-N44 PolarHBondContact O-N 3.47Å; S40-N44 PolarHBondContact O-ND2 3.13Å; S40-N44 PolarHBondContact OG-ND2 3.39Å
41	I	35.6	Very low	37.4	Very low	86 Å²	86	90.2 Å²	90.2	44%	0.441	45%	0.45	S	S	.	.	H	α-helix	trans	-77.3	-34	175.9	-70.9	162.9	0	0	0	110.8	L37 T38 Y39 L45	L37-I41 HydrophobicContact CD2-CD1 4.27Å; L37-I41 HydrophobicContact CG-CD1 4.13Å; L37-I41 VanDerWaalsContact O-CB 3.25Å; L37-I41 WeakPolarHBondContact O-CB 3.37Å; L37-I41 WeakPolarHBondContact O-CD1 3.02Å; L37-I41 WeakPolarHBondContact O-CG1 3.1Å; L37-I41 PolarHBondContact O-N 3.21Å; T38-I41 PolarHBondContact O-N 3.23Å; Y39-I41 VanDerWaalsContact C-N 3.33Å; I41-L45 HydrophobicContact CG2-CD1 3.66Å; I41-L45 VanDerWaalsContact O-CB 3.28Å; I41-L45 WeakPolarHBondContact O-CB 3.32Å; I41-L45 VanDerWaalsContact O-CD1 3.28Å; I41-L45 WeakPolarHBondContact O-CD1 2.97Å; I41-L45 PolarHBondContact O-N 2.75Å
42	E	34.4	Very low	36.2	Very low	79 Å²	79	90.5 Å²	90.5	37%	0.369	45%	0.452	S	S	.	.	H	α-helix	trans	-70.5	-34.8	172.2	-76.4	-136	101.7	0	0	112.4	T38 Y39 K46 K690	T38-E42 WeakPolarHBondContact O-CB 3.31Å; T38-E42 WeakPolarHBondContact O-CG 3.43Å; T38-E42 PolarHBondContact O-N 2.88Å; Y39-E42 PolarHBondContact O-N 3.36Å; E42-K46 WeakPolarHBondContact O-CG 3.41Å; E42-K46 PolarHBondContact O-N 2.82Å; E42-K690 IonicContact OE1-NZ 2.66Å; E42-K690 PolarHBondContact OE1-NZ 2.85Å
43	S	33.4	Very low	36	Very low	54 Å²	54	90 Å²	90	38%	0.378	45%	0.448	S	S	.	.	H	α-helix	trans	-70.2	-47.8	170.7	62.8	0	0	0	0	111.1	Y39 S40 L45 K46 W47	Y39-S43 PolarHBondContact O-N 2.04Å; Y39-S43 PolarHBondContact O-OG 2.94Å; S40-S43 WeakPolarHBondContact CA-OG 3.44Å; S40-S43 PolarHBondContact O-OG 3.28Å; S43-L45 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 3.49Å; S43-K46 WeakPolarHBondContact O-CB 3.48Å; S43-K46 PolarHBondContact O-N 3.29Å; S43-K46 VanDerWaalsContact O-N 3.11Å; S43-W47 VanDerWaalsContact O-CD1 3.31Å; S43-W47 PolarHBondContact O-N 2.03Å
44	N	31.2	Very low	36.1	Very low	84 Å²	84	91.9 Å²	91.9	45%	0.449	46%	0.459	S	S	.	.	H	α-helix	trans	-66.4	-28.3	177.8	-74.7	-58.5	0	0	0	113.4	S40 W47 L48	S40-N44 WeakPolarHBondContact O-CB 3.46Å; S40-N44 VanDerWaalsContact O-CG 3.28Å; S40-N44 PolarHBondContact O-N 3.47Å; S40-N44 PolarHBondContact O-ND2 3.13Å; S40-N44 PolarHBondContact OG-ND2 3.39Å; N44-W47 WeakPolarHBondContact O-CB 3.47Å; N44-L48 WeakPolarHBondContact O-CB 3.29Å; N44-L48 PolarHBondContact O-N 2.91Å
45	L	32.1	Very low	36.7	Very low	77 Å²	77	88.5 Å²	88.5	40%	0.403	44%	0.441	S	S	.	.	H	α-helix	trans	-73.2	-37.7	168.3	-100.5	84.3	0	0	0	112.6	I41 S43 W47 L48 I49	I41-L45 HydrophobicContact CG2-CD1 3.66Å; I41-L45 VanDerWaalsContact O-CB 3.28Å; I41-L45 WeakPolarHBondContact O-CB 3.32Å; I41-L45 VanDerWaalsContact O-CD1 3.28Å; I41-L45 WeakPolarHBondContact O-CD1 2.97Å; I41-L45 PolarHBondContact O-N 2.75Å; S43-L45 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 3.49Å; L45-W47 VanDerWaalsContact C-N 3.25Å; L45-W47 PolarHBondContact O-N 3.04Å; L45-L48 PolarHBondContact O-N 3.34Å; L45-I49 WeakPolarHBondContact O-CB 3.49Å; L45-I49 WeakPolarHBondContact O-CD1 3.08Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 2.88Å
46	K	30.8	Very low	37.2	Very low	119 Å²	119	87.2 Å²	87.2	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-57.5	-45.1	169.9	-80.8	177.6	176.7	-177.6	0	109.9	E42 S43 I49 Y50	E42-K46 WeakPolarHBondContact O-CG 3.41Å; E42-K46 PolarHBondContact O-N 2.82Å; S43-K46 WeakPolarHBondContact O-CB 3.48Å; S43-K46 PolarHBondContact O-N 3.29Å; S43-K46 VanDerWaalsContact O-N 3.11Å; K46-I49 PolarHBondContact O-N 3.4Å; K46-Y50 HydrophobicContact CB-CD2 4.47Å; K46-Y50 WeakPolarHBondContact O-CD2 3.08Å; K46-Y50 PolarHBondContact O-N 2.85Å
47	W	30.3	Very low	38.6	Very low	115 Å²	115	86.7 Å²	86.7	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-57.7	-53.2	174	-90	87.4	0	0	0	112.6	S43 N44 L45 I49 Y50 S51 G511 L512	S43-W47 VanDerWaalsContact O-CD1 3.31Å; S43-W47 PolarHBondContact O-N 2.03Å; N44-W47 WeakPolarHBondContact O-CB 3.47Å; L45-W47 VanDerWaalsContact C-N 3.25Å; L45-W47 PolarHBondContact O-N 3.04Å; W47-I49 PolarHBondContact O-N 2.84Å; W47-I49 VanDerWaalsContact O-N 3.11Å; W47-Y50 PolarHBondContact O-N 3.19Å; W47-S51 VanDerWaalsContact O-CB 3.24Å; W47-S51 WeakPolarHBondContact O-CB 3.28Å; W47-S51 PolarHBondContact O-N 3.44Å; W47-S51 PolarHBondContact O-OG 3.01Å; W47-G511 VanDerWaalsContact CH2-O 3.27Å; W47-G511 WeakPolarHBondContact CH2-O 3.42Å; W47-L512 HydrophobicContact CE3-CD2 4.2Å; W47-L512 HydrophobicContact CE3-CG 4.4Å; W47-L512 HydrophobicContact CH2-CD2 4.45Å; W47-L512 HydrophobicContact CH2-CG 4.1Å; W47-L512 HydrophobicContact CZ3-CB 4.5Å; W47-L512 HydrophobicContact CZ3-CD2 3.62Å; W47-L512 HydrophobicContact CZ3-CG 3.7Å
48	L	28.4	Very low	40.6	Very low	103 Å²	103	85.4 Å²	85.4	54%	0.539	43%	0.427	S	S	.	.	H	α-helix	trans	-61.2	-17.6	176.5	-90.8	162.6	0	0	0	114.6	N44 L45 N52	N44-L48 WeakPolarHBondContact O-CB 3.29Å; N44-L48 PolarHBondContact O-N 2.91Å; L45-L48 PolarHBondContact O-N 3.34Å; L48-N52 PolarHBondContact O-ND2 3.27Å
49	I	32.3	Very low	42.8	Very low	62 Å²	62	82.1 Å²	82.1	32%	0.318	41%	0.407	S	S	.	.	H	α-helix	trans	-89.2	-44.4	175.6	-74.1	167.8	0	0	0	110.6	L45 K46 W47 L687	L45-I49 WeakPolarHBondContact O-CB 3.49Å; L45-I49 WeakPolarHBondContact O-CD1 3.08Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 2.88Å; K46-I49 PolarHBondContact O-N 3.4Å; W47-I49 PolarHBondContact O-N 2.84Å; W47-I49 VanDerWaalsContact O-N 3.11Å; I49-L687 HydrophobicContact CD1-CD2 4.26Å; I49-L687 HydrophobicContact CG2-CD1 3.62Å; I49-L687 HydrophobicContact CG2-CD2 3.78Å; I49-L687 HydrophobicContact CG2-CG 4.25Å
50	Y	31.8	Very low	45	Very low	166 Å²	166	74 Å²	74	65%	0.651	38%	0.375	S	S	*	.	H	α-helix	trans	-78.9	-23.4	179	-74.8	-66.8	0	0	0	114	K46 W47	K46-Y50 HydrophobicContact CB-CD2 4.47Å; K46-Y50 WeakPolarHBondContact O-CD2 3.08Å; K46-Y50 PolarHBondContact O-N 2.85Å; W47-Y50 PolarHBondContact O-N 3.19Å
51	S	29.8	Very low	47.5	Very low	58 Å²	58	75.6 Å²	75.6	41%	0.406	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.8	179.9	77.1	0	0	0	0	114.5	W47	W47-S51 VanDerWaalsContact O-CB 3.24Å; W47-S51 WeakPolarHBondContact O-CB 3.28Å; W47-S51 PolarHBondContact O-N 3.44Å; W47-S51 PolarHBondContact O-OG 3.01Å
52	N	30.7	Very low	49.6	Very low	79 Å²	79	75.2 Å²	75.2	42%	0.422	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	17.6	-168.3	-73.3	-33.4	0	0	0	113.8	L48 I54	L48-N52 PolarHBondContact O-ND2 3.27Å; N52-I54 PolarHBondContact O-N 2.77Å
53	Q	44.5	Very low	51.9	Low	83 Å²	83	71.6 Å²	71.6	39%	0.388	36%	0.358	S	S	.	.			trans	-75.7	71.9	162.3	-77	-170.7	-31.9	0	0	109.9	M55 P563	Q53-M55 PolarHBondContact O-N 2.78Å; Q53-P563 HydrophobicContact CB-CG 4.16Å; Q53-P563 HydrophobicContact CG-CG 4.15Å
54	I	47.9	Very low	54.3	Low	125 Å²	125	70.6 Å²	70.6	64%	0.641	35%	0.347	S	S	*	.			trans	-68.2	110.6	165.6	-59.3	175.1	0	0	0	106.4	N52	N52-I54 PolarHBondContact O-N 2.77Å
55	M	57.8	Low	56.7	Low	22 Å²	22	71.1 Å²	71.1	11%	0.108	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-63.5	133.9	164	-76.5	-90.9	-110	0	0	108.4	Q53 T57 E546 Y548 P563 D565 Q566	Q53-M55 PolarHBondContact O-N 2.78Å; M55-T57 PolarHBondContact O-N 3.47Å; M55-E546 HydrophobicContact CE-CB 3.59Å; M55-E546 HydrophobicContact CE-CG 3.72Å; M55-Y548 HydrophobicContact CE-CE1 4.5Å; M55-Y548 HydrophobicContact CE-CE2 4.44Å; M55-P563 HydrophobicContact CE-CB 4.38Å; M55-P563 HydrophobicContact CG-CB 3.93Å; M55-P563 HydrophobicContact SD-CB 3.26Å; M55-P563 WeakPolarHBondContact SD-CB 3.17Å; M55-D565 WeakPolarHBondContact CE-O 3.34Å; M55-Q566 HydrophobicContact CB-CB 4.16Å; M55-Q566 HydrophobicContact CE-CB 4.3Å
56	D	62.5	Low	58.7	Low	49 Å²	49	72.2 Å²	72.2	26%	0.262	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	121.8	166.6	-70.7	-41.1	0	0	0	108.1	Y58 D565 Q566	D56-Y58 HydrophobicContact CB-CE2 3.94Å; D56-D565 HydrophobicContact CB-CB 4.43Å; D56-D565 WeakPolarHBondContact O-CA 3.27Å; D56-D565 WeakPolarHBondContact O-CB 3.32Å; D56-Q566 PolarHBondContact O-N 3.16Å
57	T	70.3	Confident	60.9	Low	91 Å²	91	69.5 Å²	69.5	56%	0.558	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.5	-176.5	50.7	0	0	0	0	111.7	M55 Q566	M55-T57 PolarHBondContact O-N 3.47Å; T57-Q566 CarbonylContact C-O 3.56Å; T57-Q566 VanDerWaalsContact CA-O 3.31Å; T57-Q566 WeakPolarHBondContact CA-O 3.39Å; T57-Q566 HydrophobicContact CG2-CB 4.16Å; T57-Q566 HydrophobicContact CG2-CG 4.47Å
58	Y	79.2	Confident	63.1	Low	42 Å²	42	65.5 Å²	65.5	17%	0.165	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.1	-179.8	-57.8	-68.9	0	0	0	112	D56 I60 D565 Q566 L567 T568 L610	D56-Y58 HydrophobicContact CB-CE2 3.94Å; Y58-I60 PolarHBondContact O-N 2.97Å; Y58-D565 HydrophobicContact CD2-CB 4.08Å; Y58-D565 HydrophobicContact CE2-CB 3.8Å; Y58-Q566 PolarHBondContact N-O 3.28Å; Y58-L567 HydrophobicContact CD2-CD2 4.09Å; Y58-L567 CarbonylContact O-C 3.58Å; Y58-L567 WeakPolarHBondContact O-CA 3.18Å; Y58-T568 PolarHBondContact O-N 2.96Å; Y58-T568 PolarHBondContact O-OG1 2.81Å; Y58-L610 HydrophobicContact CD1-CD1 4.05Å; Y58-L610 HydrophobicContact CE1-CD1 3.43Å; Y58-L610 VanDerWaalsContact CE1-CD1 3.43Å; Y58-L610 HydrophobicContact CE2-CD1 4.13Å; Y58-L610 VanDerWaalsContact CZ-CD1 3.48Å
59	S	83.3	Confident	65.7	Low	10 Å²	10	61.5 Å²	61.5	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.6	170	-178.7	0	0	0	0	110.3	K61 D62 L63 E570	S59-K61 PolarHBondContact O-N 3.1Å; S59-K61 PolarHBondContact OG-N 3.34Å; S59-D62 WeakPolarHBondContact O-CB 3.45Å; S59-D62 PolarHBondContact O-N 2.93Å; S59-D62 VanDerWaalsContact O-N 3.12Å; S59-L63 WeakPolarHBondContact O-CG 3.44Å; S59-L63 PolarHBondContact O-N 3.33Å; S59-L63 VanDerWaalsContact O-N 3.1Å; S59-E570 VanDerWaalsContact CB-OE2 3.29Å; S59-E570 WeakPolarHBondContact CB-OE2 3.49Å; S59-E570 WeakPolarHBondContact OG-CG 3.34Å; S59-E570 PolarHBondContact OG-OE2 3.35Å
60	I	85.9	Confident	68.3	Low	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-30.1	178.2	-69.9	161.3	0	0	0	110.9	Y58 L63 I64 I545 L567 T568 I569 F572 I595 I602 L604	Y58-I60 PolarHBondContact O-N 2.97Å; I60-L63 PolarHBondContact O-N 2.99Å; I60-I64 HydrophobicContact CG2-CD1 4.12Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 2.9Å; I60-I64 VanDerWaalsContact O-N 3.08Å; I60-I545 HydrophobicContact CD1-CD1 4.3Å; I60-L567 HydrophobicContact CD1-CB 3.92Å; I60-L567 HydrophobicContact CG1-CB 3.91Å; I60-T568 PolarHBondContact N-O 3.31Å; I60-I569 HydrophobicContact CD1-CG1 3.64Å; I60-F572 HydrophobicContact CG2-CZ 4.47Å; I60-I595 HydrophobicContact CD1-CD1 3.87Å; I60-I602 HydrophobicContact CG2-CD1 4Å; I60-I602 HydrophobicContact CG2-CG2 4.07Å; I60-L604 HydrophobicContact CG1-CD1 4.45Å; I60-L604 HydrophobicContact CG2-CD1 4.41Å
61	K	84.1	Confident	71.2	Confident	83 Å²	83	56.2 Å²	56.2	36%	0.361	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-44.6	173.7	-177.1	178.1	179.4	178.2	0	111.8	S59 I64 S65 E570 D571 F572	S59-K61 PolarHBondContact O-N 3.1Å; S59-K61 PolarHBondContact OG-N 3.34Å; K61-I64 PolarHBondContact O-N 3.35Å; K61-S65 PolarHBondContact O-N 3.26Å; K61-E570 HydrophobicContact CD-CB 4.34Å; K61-D571 PolarHBondContact NZ-O 3.12Å; K61-F572 HydrophobicContact CB-CD1 4.38Å; K61-F572 HydrophobicContact CB-CE1 3.8Å; K61-F572 HydrophobicContact CB-CZ 3.94Å; K61-F572 HydrophobicContact CD-CD1 4.49Å; K61-F572 HydrophobicContact CG-CD1 4.03Å; K61-F572 HydrophobicContact CG-CE1 3.85Å; K61-F572 HydrophobicContact CG-CZ 4.47Å
62	D	81.2	Confident	74.1	Confident	78 Å²	78	54.4 Å²	54.4	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-44.2	175.4	-69.4	-14.9	0	0	0	111.2	S59 I64 S65 M66	S59-D62 WeakPolarHBondContact O-CB 3.45Å; S59-D62 PolarHBondContact O-N 2.93Å; S59-D62 VanDerWaalsContact O-N 3.12Å; D62-I64 VanDerWaalsContact C-N 3.34Å; D62-I64 PolarHBondContact O-N 3.29Å; D62-S65 WeakPolarHBondContact CA-OG 3.48Å; D62-S65 CarbonylContact O-C 3.59Å; D62-S65 WeakPolarHBondContact O-CB 3.38Å; D62-S65 PolarHBondContact O-N 2.82Å; D62-S65 VanDerWaalsContact O-N 3.1Å; D62-S65 PolarHBondContact O-OG 2.99Å; D62-M66 HydrophobicContact CB-CE 4.31Å; D62-M66 WeakPolarHBondContact O-CG 3.39Å; D62-M66 PolarHBondContact O-N 2.94Å
63	L	82.6	Confident	76.9	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-45.2	177.1	-62.6	179.7	0	0	0	112.2	S59 I60 M66 G67 Q68 L567 L604 I608	S59-L63 WeakPolarHBondContact O-CG 3.44Å; S59-L63 PolarHBondContact O-N 3.33Å; S59-L63 VanDerWaalsContact O-N 3.1Å; I60-L63 PolarHBondContact O-N 2.99Å; L63-M66 PolarHBondContact O-N 2.04Å; L63-G67 PolarHBondContact O-N 3.34Å; L63-Q68 HydrophobicContact CB-CB 4.35Å; L63-Q68 VanDerWaalsContact O-CB 3.3Å; L63-Q68 WeakPolarHBondContact O-CB 3.35Å; L63-Q68 PolarHBondContact O-N 3.21Å; L63-L567 HydrophobicContact CD1-CD2 4.41Å; L63-L604 HydrophobicContact CB-CD2 4.29Å; L63-L604 HydrophobicContact CD1-CD1 4.34Å; L63-I608 HydrophobicContact CD1-CD1 3.74Å; L63-I608 HydrophobicContact CD1-CG1 4.42Å; L63-I608 HydrophobicContact CD1-CG2 4.44Å; L63-I608 HydrophobicContact CD2-CG2 3.59Å
64	I	84.4	Confident	78.9	Confident	32 Å²	32	55.8 Å²	55.8	16%	0.164	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-40.6	176.4	-64.1	168.1	0	0	0	110.5	I60 K61 D62 M66 G67 I71 F572 I602	I60-I64 HydrophobicContact CG2-CD1 4.12Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 2.9Å; I60-I64 VanDerWaalsContact O-N 3.08Å; K61-I64 PolarHBondContact O-N 3.35Å; D62-I64 VanDerWaalsContact C-N 3.34Å; D62-I64 PolarHBondContact O-N 3.29Å; I64-M66 PolarHBondContact O-N 2.8Å; I64-G67 PolarHBondContact O-N 2.79Å; I64-I71 HydrophobicContact CD1-CB 4.39Å; I64-I71 HydrophobicContact CD1-CD1 4.11Å; I64-I71 HydrophobicContact CG2-CG2 4.45Å; I64-F572 HydrophobicContact CD1-CE1 4.1Å; I64-F572 HydrophobicContact CD1-CZ 3.88Å; I64-I602 HydrophobicContact CD1-CD1 4.25Å; I64-I602 HydrophobicContact CD1-CG1 4.18Å; I64-I602 HydrophobicContact CD1-CG2 3.82Å; I64-I602 HydrophobicContact CG1-CG2 4.47Å
65	S	80.4	Confident	80.4	Confident	95 Å²	95	57 Å²	57	66%	0.664	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-28.3	175.3	82.3	0	0	0	0	113.8	K61 D62 G67	K61-S65 PolarHBondContact O-N 3.26Å; D62-S65 WeakPolarHBondContact CA-OG 3.48Å; D62-S65 CarbonylContact O-C 3.59Å; D62-S65 WeakPolarHBondContact O-CB 3.38Å; D62-S65 PolarHBondContact O-N 2.82Å; D62-S65 VanDerWaalsContact O-N 3.1Å; D62-S65 PolarHBondContact O-OG 2.99Å; S65-G67 PolarHBondContact O-N 3.45Å
66	M	75.2	Confident	81.2	Confident	101 Å²	101	62.2 Å²	62.2	50%	0.498	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.2	173.4	-66.5	177.3	-166.8	0	0	112.9	D62 L63 I64 Q68	D62-M66 HydrophobicContact CB-CE 4.31Å; D62-M66 WeakPolarHBondContact O-CG 3.39Å; D62-M66 PolarHBondContact O-N 2.94Å; L63-M66 PolarHBondContact O-N 2.04Å; I64-M66 PolarHBondContact O-N 2.8Å; M66-Q68 VanDerWaalsContact C-N 3.26Å; M66-Q68 HydrophobicContact CB-CG 4.2Å; M66-Q68 PolarHBondContact O-N 3.22Å
67	G	75.7	Confident	81.9	Confident	61 Å²	61	60.1 Å²	60.1	63%	0.629	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	17.1	-176.4	0	0	0	0	0	114	L63 I64 S65 G69	L63-G67 PolarHBondContact O-N 3.34Å; I64-G67 PolarHBondContact O-N 2.79Å; S65-G67 PolarHBondContact O-N 3.45Å; G67-G69 PolarHBondContact O-N 3.05Å
68	Q	76.5	Confident	82.4	Confident	32 Å²	32	56.5 Å²	56.5	15%	0.15	31%	0.305	C	S	.	.	S	Bend	trans	-84.5	20.7	178.9	-65.1	-72.9	-62.1	0	0	112.8	L63 M66 L604 P605 Q609	L63-Q68 HydrophobicContact CB-CB 4.35Å; L63-Q68 VanDerWaalsContact O-CB 3.3Å; L63-Q68 WeakPolarHBondContact O-CB 3.35Å; L63-Q68 PolarHBondContact O-N 3.21Å; M66-Q68 VanDerWaalsContact C-N 3.26Å; M66-Q68 HydrophobicContact CB-CG 4.2Å; M66-Q68 PolarHBondContact O-N 3.22Å; Q68-L604 VanDerWaalsContact O-CD2 3.31Å; Q68-L604 WeakPolarHBondContact O-CD2 3.29Å; Q68-P605 WeakPolarHBondContact O-CD 3.46Å; Q68-Q609 VanDerWaalsContact OE1-CB 3.31Å
69	G	82.8	Confident	82.8	Confident	19 Å²	19	57.4 Å²	57.4	20%	0.196	31%	0.313	C	S	.	.			trans	178.6	164.6	-179.9	0	0	0	0	0	114.7	G67 Q603	G67-G69 PolarHBondContact O-N 3.05Å; G69-Q603 CarbonylContact C-O 3.53Å; G69-Q603 WeakPolarHBondContact CA-O 3.3Å
70	N	88.4	Confident	83.1	Confident	56 Å²	56	57 Å²	57	30%	0.299	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	156.5	173.1	-58.6	-55.4	0	0	0	110.3	E107 N108 L109 Q603	N70-E107 PolarHBondContact ND2-O 3.34Å; N70-N108 WeakPolarHBondContact ND2-CA 3.37Å; N70-L109 HydrophobicContact CB-CB 4.45Å; N70-L109 HydrophobicContact CB-CD1 3.99Å; N70-L109 HydrophobicContact CB-CG 3.97Å; N70-Q603 HydrophobicContact CB-CB 4.25Å; N70-Q603 PolarHBondContact N-O 3.02Å; N70-Q603 VanDerWaalsContact N-O 3.09Å; N70-Q603 PolarHBondContact ND2-OE1 3.11Å; N70-Q603 PolarHBondContact O-N 3.04Å
71	I	90.9	Very high	83.2	Confident	61 Å²	61	58.3 Å²	58.3	31%	0.313	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.4	175.9	-166.9	167.1	0	0	0	110.9	I64 F572 H600 V601 I602	I64-I71 HydrophobicContact CD1-CB 4.39Å; I64-I71 HydrophobicContact CD1-CD1 4.11Å; I64-I71 HydrophobicContact CG2-CG2 4.45Å; I71-F572 HydrophobicContact CD1-CE1 4.25Å; I71-F572 HydrophobicContact CD1-CZ 4.42Å; I71-H600 HydrophobicContact CD1-CB 4.04Å; I71-H600 HydrophobicContact CG1-CB 4.05Å; I71-V601 CarbonylContact C-O 3.59Å; I71-V601 WeakPolarHBondContact CA-O 3.3Å; I71-I602 HydrophobicContact CD1-CD1 4.44Å; I71-I602 HydrophobicContact CD1-CG1 4.03Å; I71-I602 HydrophobicContact CG1-CG1 3.95Å
72	F	92.3	Very high	83.4	Confident	20 Å²	20	57.8 Å²	57.8	9%	0.088	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144	173.4	165.2	-88.5	0	0	0	110.3	H74 Y80 F102 L104 L109 L111 H600 V601	F72-H74 HydrophobicContact CZ-CB 4.31Å; F72-Y80 AromaticContact CE1-CE1 3.99Å; F72-Y80 HydrophobicContact CE1-CE1 3.99Å; F72-F102 HydrophobicContact CE1-CG 4.31Å; F72-F102 HydrophobicContact CZ-CB 4.44Å; F72-F102 AromaticContact CZ-CD1 3.98Å; F72-F102 HydrophobicContact CZ-CD1 3.98Å; F72-F102 HydrophobicContact CZ-CG 4.16Å; F72-L104 HydrophobicContact CB-CD1 4.26Å; F72-L104 HydrophobicContact CD1-CD1 3.71Å; F72-L104 HydrophobicContact CD1-CD2 4.14Å; F72-L104 HydrophobicContact CD2-CD1 4.47Å; F72-L104 HydrophobicContact CD2-CD2 3.83Å; F72-L104 HydrophobicContact CE1-CD1 4.19Å; F72-L104 HydrophobicContact CE1-CD2 4.01Å; F72-L104 HydrophobicContact CE2-CD2 3.7Å; F72-L104 HydrophobicContact CG-CD1 3.88Å; F72-L104 HydrophobicContact CG-CD2 4.07Å; F72-L104 HydrophobicContact CZ-CD2 3.79Å; F72-L109 HydrophobicContact CB-CB 3.76Å; F72-L109 HydrophobicContact CB-CD1 4.13Å; F72-L111 HydrophobicContact CE2-CB 4.15Å; F72-L111 HydrophobicContact CE2-CD1 4.44Å; F72-L111 HydrophobicContact CZ-CD1 4.48Å; F72-H600 CarbonylContact O-C 3.52Å; F72-H600 WeakPolarHBondContact O-CA 3.34Å; F72-V601 HydrophobicContact CB-CB 4.3Å; F72-V601 HydrophobicContact CD1-CB 4.15Å; F72-V601 HydrophobicContact CD1-CG2 3.94Å; F72-V601 PolarHBondContact N-O 3.19Å; F72-V601 PolarHBondContact O-N 3.25Å
73	Y	88.9	Confident	83.9	Confident	140 Å²	140	54.6 Å²	54.6	55%	0.549	30%	0.302	S	S	.	.			trans	-150.6	167.2	172.1	62.6	-85	0	0	0	109.5	L75	Y73-L75 HydrophobicContact CE2-CD2 4.4Å
74	H	87.1	Confident	84.3	Confident	50 Å²	50	55.5 Å²	55.5	23%	0.231	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-134.1	132.2	179.4	-175.3	-120.6	0	0	0	110.1	F72 H76 S77 Y80 F102 E116	F72-H74 HydrophobicContact CZ-CB 4.31Å; H74-H76 PolarHBondContact O-N 2.95Å; H74-S77 WeakPolarHBondContact ND1-CB 3.34Å; H74-S77 PolarHBondContact ND1-N 3.44Å; H74-S77 CarbonylContact O-C 3.55Å; H74-S77 PolarHBondContact O-N 2.87Å; H74-S77 VanDerWaalsContact O-N 3.12Å; H74-Y80 WeakPolarHBondContact CB-OH 3.24Å; H74-Y80 PolarHBondContact N-OH 3.24Å; H74-F102 HydrophobicContact CB-CE1 4.18Å; H74-F102 HydrophobicContact CB-CZ 4.11Å; H74-F102 AromaticContact CG-CE1 3.79Å; H74-F102 AromaticContact CG-CZ 3.89Å; H74-F102 AromaticContact ND1-CE1 3.81Å; H74-F102 AromaticContact ND1-CZ 3.63Å; H74-E116 IonicContact CE1-OE1 3.15Å
75	L	79.4	Confident	84.5	Confident	150 Å²	150	55.2 Å²	55.2	79%	0.785	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.9	-173.3	-65.6	172.3	0	0	0	114.2	Y73	Y73-L75 HydrophobicContact CE2-CD2 4.4Å
76	H	74.4	Confident	84.8	Confident	132 Å²	132	50.7 Å²	50.7	61%	0.611	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	0.6	-178.7	-52.5	105.5	0	0	0	113.5	H74 N97	H74-H76 PolarHBondContact O-N 2.95Å; H76-N97 PolarHBondContact O-ND2 2.88Å
77	S	77.1	Confident	85.1	Confident	5 Å²	5	49 Å²	49	4%	0.035	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-136.3	123.8	178.5	-175	0	0	0	0	112.4	H74 Y80 G96 N97	H74-S77 WeakPolarHBondContact ND1-CB 3.34Å; H74-S77 PolarHBondContact ND1-N 3.44Å; H74-S77 CarbonylContact O-C 3.55Å; H74-S77 PolarHBondContact O-N 2.87Å; H74-S77 VanDerWaalsContact O-N 3.12Å; S77-Y80 PolarHBondContact O-OH 2.86Å; S77-G96 WeakPolarHBondContact OG-CA 3.38Å; S77-N97 PolarHBondContact OG-N 3.3Å
78	G	81.4	Confident	85.4	Confident	15 Å²	15	51.1 Å²	51.1	16%	0.155	26%	0.263	C	S	.	.			trans	-110.3	-144.1	163.5	0	0	0	0	0	110.3	Y80 G96 N97 S598	G78-Y80 PolarHBondContact O-N 3.44Å; G78-G96 CarbonylContact O-C 3.57Å; G78-G96 WeakPolarHBondContact O-CA 3.49Å; G78-N97 VanDerWaalsContact C-OD1 3.3Å; G78-N97 PolarHBondContact N-OD1 2.86Å; G78-N97 PolarHBondContact O-N 3.43Å; G78-N97 PolarHBondContact O-OD1 2.95Å; G78-S598 CarbonylContact C-O 3.53Å; G78-S598 WeakPolarHBondContact CA-O 3.46Å
79	N	85.9	Confident	85.7	Confident	62 Å²	62	52 Å²	52	33%	0.332	27%	0.268	S	S	.	.			trans	41.6	64.9	171.4	-161.5	5.5	0	0	0	113.4	T81 N97 S598	N79-T81 PolarHBondContact O-N 2.86Å; N79-N97 PolarHBondContact O-N 3.14Å; N79-S598 PolarHBondContact N-O 3.16Å
80	Y	90.9	Very high	85.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.			trans	-80.9	113.4	-178.4	-63.3	-78.4	0	0	0	109.7	F72 H74 S77 G78 V94 I95 F102 T580 L596 T597 N599 V601	F72-Y80 AromaticContact CE1-CE1 3.99Å; F72-Y80 HydrophobicContact CE1-CE1 3.99Å; H74-Y80 WeakPolarHBondContact CB-OH 3.24Å; H74-Y80 PolarHBondContact N-OH 3.24Å; S77-Y80 PolarHBondContact O-OH 2.86Å; G78-Y80 PolarHBondContact O-N 3.44Å; Y80-V94 HydrophobicContact CD1-CG1 3.75Å; Y80-V94 HydrophobicContact CG-CG1 4.3Å; Y80-I95 CarbonylContact C-O 3.54Å; Y80-I95 VanDerWaalsContact CA-O 3.24Å; Y80-I95 WeakPolarHBondContact CA-O 3.23Å; Y80-F102 AromaticContact CE1-CD2 3.95Å; Y80-F102 HydrophobicContact CE1-CD2 3.95Å; Y80-F102 AromaticContact CE1-CE2 3.96Å; Y80-F102 HydrophobicContact CE1-CE2 3.96Å; Y80-T580 VanDerWaalsContact O-CB 3.25Å; Y80-T580 WeakPolarHBondContact O-CB 3.38Å; Y80-T580 PolarHBondContact O-OG1 3.41Å; Y80-L596 VanDerWaalsContact O-CB 3.25Å; Y80-L596 WeakPolarHBondContact O-CB 3.23Å; Y80-T597 PolarHBondContact N-O 2.87Å; Y80-T597 VanDerWaalsContact N-O 3.11Å; Y80-N599 WeakPolarHBondContact CE2-O 3.32Å; Y80-V601 HydrophobicContact CD1-CG2 3.76Å; Y80-V601 HydrophobicContact CD2-CG2 4.02Å; Y80-V601 HydrophobicContact CE1-CG2 4.15Å; Y80-V601 HydrophobicContact CE2-CG2 4.42Å; Y80-V601 HydrophobicContact CG-CG2 3.68Å
81	T	87.6	Confident	85.9	Confident	29 Å²	29	53.2 Å²	53.2	18%	0.178	27%	0.27	C	S	.	.			trans	-111.5	-33.9	-169.9	59	0	0	0	0	114.8	N79 I95 Y583	N79-T81 PolarHBondContact O-N 2.86Å; T81-I95 PolarHBondContact N-O 2.83Å; T81-I95 VanDerWaalsContact N-O 3.09Å; T81-Y583 PolarHBondContact O-OH 2.99Å
82	N	88.7	Confident	85.9	Confident	72 Å²	72	50.3 Å²	50.3	39%	0.385	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133	-171.1	-65.3	70.5	0	0	0	110.2	V94 I95	N82-V94 VanDerWaalsContact O-CA 3.28Å; N82-V94 WeakPolarHBondContact O-CA 3.47Å; N82-I95 HydrophobicContact CB-CB 4.3Å; N82-I95 HydrophobicContact CB-CD1 4.13Å; N82-I95 PolarHBondContact O-N 2.95Å
83	L	91.7	Very high	86	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.3	171.7	-176	155.8	0	0	0	110.7	I92 F93 V94 Y583 K585 Y594 L596	L83-I92 HydrophobicContact CD1-CD1 4.08Å; L83-I92 HydrophobicContact CD2-CB 4.47Å; L83-I92 HydrophobicContact CD2-CG2 4.32Å; L83-I92 HydrophobicContact CG-CB 4.47Å; L83-F93 CarbonylContact C-O 3.6Å; L83-F93 WeakPolarHBondContact CA-O 3.33Å; L83-V94 HydrophobicContact CD1-CG2 4.14Å; L83-V94 HydrophobicContact CG-CG2 4.22Å; L83-Y583 HydrophobicContact CB-CD1 4.35Å; L83-Y583 HydrophobicContact CB-CD2 3.76Å; L83-Y583 HydrophobicContact CB-CE1 4.35Å; L83-Y583 HydrophobicContact CB-CE2 3.8Å; L83-Y583 HydrophobicContact CB-CG 4.06Å; L83-Y583 HydrophobicContact CD2-CG 4.36Å; L83-Y583 PolarHBondContact N-OH 3.01Å; L83-K585 HydrophobicContact CD2-CD 4.13Å; L83-K585 HydrophobicContact CD2-CG 3.97Å; L83-Y594 HydrophobicContact CD1-CD1 4.27Å; L83-Y594 HydrophobicContact CD1-CG 3.98Å; L83-L596 HydrophobicContact CB-CD1 4.15Å; L83-L596 HydrophobicContact CB-CD2 4.42Å; L83-L596 HydrophobicContact CD1-CD2 4.15Å
84	L	91.2	Very high	86.2	Confident	24 Å²	24	42.7 Å²	42.7	13%	0.126	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144	170.1	-172.5	67.3	0	0	0	109.6	I92 F93 L143 L144 Q145 I152	L84-I92 CarbonylContact O-C 3.55Å; L84-I92 VanDerWaalsContact O-CA 3.32Å; L84-I92 WeakPolarHBondContact O-CA 3.43Å; L84-F93 HydrophobicContact CB-CB 4.36Å; L84-F93 PolarHBondContact N-O 2.97Å; L84-F93 PolarHBondContact O-N 3.03Å; L84-L143 HydrophobicContact CB-CD2 4.07Å; L84-L143 HydrophobicContact CB-CG 4.18Å; L84-L143 HydrophobicContact CD2-CD1 4.02Å; L84-L143 HydrophobicContact CD2-CG 4.07Å; L84-L144 VanDerWaalsContact CD2-C 3.46Å; L84-L144 WeakPolarHBondContact CD2-O 3.32Å; L84-Q145 HydrophobicContact CD1-CB 4.24Å; L84-Q145 HydrophobicContact CD2-CB 4.46Å; L84-I152 HydrophobicContact CD2-CB 4.2Å; L84-I152 HydrophobicContact CD2-CG2 3.7Å
85	E	88.2	Confident	86.4	Confident	26 Å²	26	40.5 Å²	40.5	12%	0.121	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.9	174.3	165.3	-170.1	-151.9	0	0	107.1	P87 I92 K585 H586 I587	E85-P87 HydrophobicContact CG-CG 3.94Å; E85-I92 HydrophobicContact CB-CG2 4.44Å; E85-K585 HydrophobicContact CB-CD 3.71Å; E85-K585 HydrophobicContact CB-CG 4.43Å; E85-K585 HydrophobicContact CG-CD 4.35Å; E85-K585 WeakPolarHBondContact OE2-CD 3.1Å; E85-H586 PolarHBondContact OE1-N 2.8Å; E85-I587 HydrophobicContact CG-CD1 4.12Å; E85-I587 HydrophobicContact CG-CG1 3.91Å; E85-I587 WeakPolarHBondContact OE1-CG1 3.45Å; E85-I587 PolarHBondContact OE1-N 2.92Å
86	L	86.9	Confident	86.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	91.6	172.5	-156.8	139.6	0	0	0	108.8	Q88 L89 S91 F93 Q145 N151 I152	L86-Q88 HydrophobicContact CD2-CB 4.01Å; L86-Q88 PolarHBondContact O-N 2.83Å; L86-L89 HydrophobicContact CD2-CB 4.19Å; L86-L89 HydrophobicContact CD2-CD1 3.88Å; L86-L89 HydrophobicContact CD2-CG 3.74Å; L86-L89 PolarHBondContact O-N 3.08Å; L86-L89 VanDerWaalsContact O-N 3.09Å; L86-S91 PolarHBondContact N-O 2.93Å; L86-F93 HydrophobicContact CB-CD2 4.45Å; L86-F93 HydrophobicContact CB-CE2 3.85Å; L86-Q145 HydrophobicContact CD1-CG 4.13Å; L86-N151 WeakPolarHBondContact CD1-O 3.41Å; L86-I152 HydrophobicContact CD1-CG2 3.61Å
87	P	81	Confident	87	Confident	64 Å²	64	30.4 Å²	30.4	42%	0.416	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-62.2	-19.6	-169.3	-25	34.9	0	0	0	114.7	E85 L89	E85-P87 HydrophobicContact CG-CG 3.94Å; P87-L89 PolarHBondContact O-N 2.96Å
88	Q	81.8	Confident	86.9	Confident	107 Å²	107	35 Å²	35	50%	0.5	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-72.7	-11.9	178.6	-57.3	-176.1	10.7	0	0	113.6	L86 K149	L86-Q88 HydrophobicContact CD2-CB 4.01Å; L86-Q88 PolarHBondContact O-N 2.83Å; Q88-K149 PolarHBondContact NE2-O 3.4Å
89	L	83.6	Confident	87.1	Confident	49 Å²	49	36 Å²	36	26%	0.257	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-122	8.2	-178.6	-65.6	-179.3	0	0	0	113.1	L86 P87 S91 P181 L182	L86-L89 HydrophobicContact CD2-CB 4.19Å; L86-L89 HydrophobicContact CD2-CD1 3.88Å; L86-L89 HydrophobicContact CD2-CG 3.74Å; L86-L89 PolarHBondContact O-N 3.08Å; L86-L89 VanDerWaalsContact O-N 3.09Å; P87-L89 PolarHBondContact O-N 2.96Å; L89-S91 PolarHBondContact O-N 2.91Å; L89-S91 VanDerWaalsContact O-N 3.17Å; L89-S91 PolarHBondContact O-OG 3.15Å; L89-P181 HydrophobicContact CD1-CB 3.7Å; L89-P181 HydrophobicContact CD1-CG 3.92Å; L89-L182 HydrophobicContact CD1-CD2 4.48Å; L89-L182 HydrophobicContact CD2-CD2 4.08Å
90	D	85.5	Confident	87.3	Confident	101 Å²	101	33.1 Å²	33.1	54%	0.54	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.2	53.9	-169.5	-69.2	-39	0	0	0	111.8	P106 I587	D90-P106 WeakPolarHBondContact O-CD 3.21Å; D90-P106 WeakPolarHBondContact O-CG 3.31Å; D90-I587 VanDerWaalsContact OD1-CG2 3.22Å; D90-I587 WeakPolarHBondContact OD1-CG2 3.34Å
91	S	88.6	Confident	87.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.9	-170.2	-65.9	0	0	0	0	111.7	L86 L89 R103	L86-S91 PolarHBondContact N-O 2.93Å; L89-S91 PolarHBondContact O-N 2.91Å; L89-S91 VanDerWaalsContact O-N 3.17Å; L89-S91 PolarHBondContact O-OG 3.15Å; S91-R103 PolarHBondContact OG-NE 3.15Å; S91-R103 PolarHBondContact OG-NH2 3.46Å
92	I	91.7	Very high	87.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.4	165.5	59	170.4	0	0	0	110	L83 L84 E85 R103 L104 P106 L109 I587 Y594	L83-I92 HydrophobicContact CD1-CD1 4.08Å; L83-I92 HydrophobicContact CD2-CB 4.47Å; L83-I92 HydrophobicContact CD2-CG2 4.32Å; L83-I92 HydrophobicContact CG-CB 4.47Å; L84-I92 CarbonylContact O-C 3.55Å; L84-I92 VanDerWaalsContact O-CA 3.32Å; L84-I92 WeakPolarHBondContact O-CA 3.43Å; E85-I92 HydrophobicContact CB-CG2 4.44Å; I92-R103 CarbonylContact O-C 3.44Å; I92-R103 WeakPolarHBondContact O-CA 3.16Å; I92-L104 HydrophobicContact CD1-CB 4.24Å; I92-L104 HydrophobicContact CG1-CB 3.91Å; I92-L104 WeakPolarHBondContact CG1-O 3.19Å; I92-L104 PolarHBondContact N-O 3.2Å; I92-L104 VanDerWaalsContact N-O 3.1Å; I92-L104 PolarHBondContact O-N 2.89Å; I92-P106 HydrophobicContact CG2-CB 4.38Å; I92-L109 HydrophobicContact CD1-CD2 3.84Å; I92-I587 HydrophobicContact CG2-CD1 4.38Å; I92-Y594 HydrophobicContact CD1-CD1 3.98Å; I92-Y594 HydrophobicContact CD1-CE1 3.67Å
93	F	93.4	Very high	87.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.9	-180	-60	-87.8	0	0	0	109.2	L83 L84 L86 I101 F102 R103 I152 P181 L184	L83-F93 CarbonylContact C-O 3.6Å; L83-F93 WeakPolarHBondContact CA-O 3.33Å; L84-F93 HydrophobicContact CB-CB 4.36Å; L84-F93 PolarHBondContact N-O 2.97Å; L84-F93 PolarHBondContact O-N 3.03Å; L86-F93 HydrophobicContact CB-CD2 4.45Å; L86-F93 HydrophobicContact CB-CE2 3.85Å; F93-I101 HydrophobicContact CB-CG2 4.45Å; F93-F102 CarbonylContact C-O 3.34Å; F93-F102 WeakPolarHBondContact CA-O 3.04Å; F93-R103 HydrophobicContact CD1-CB 3.8Å; F93-R103 HydrophobicContact CD1-CG 3.99Å; F93-R103 HydrophobicContact CE1-CB 3.7Å; F93-R103 HydrophobicContact CE1-CG 3.53Å; F93-R103 HydrophobicContact CZ-CG 4.05Å; F93-I152 HydrophobicContact CD1-CD1 4.15Å; F93-I152 HydrophobicContact CD2-CG2 4.06Å; F93-I152 HydrophobicContact CE1-CD1 4.17Å; F93-I152 HydrophobicContact CE2-CG2 3.95Å; F93-I152 HydrophobicContact CG-CD1 4.5Å; F93-I152 HydrophobicContact CZ-CG2 4.34Å; F93-P181 WeakPolarHBondContact CE1-O 3.22Å; F93-P181 HydrophobicContact CZ-CB 4.44Å; F93-P181 VanDerWaalsContact CZ-O 3.31Å; F93-P181 WeakPolarHBondContact CZ-O 3.1Å; F93-L184 HydrophobicContact CD1-CD2 3.76Å; F93-L184 HydrophobicContact CE1-CD2 3.73Å; F93-L184 HydrophobicContact CE1-CG 4.4Å
94	V	93.4	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.8	-175.7	-166.5	0	0	0	0	110.5	Y80 N82 L83 I101 F102 L104 L596 V601	Y80-V94 HydrophobicContact CD1-CG1 3.75Å; Y80-V94 HydrophobicContact CG-CG1 4.3Å; N82-V94 VanDerWaalsContact O-CA 3.28Å; N82-V94 WeakPolarHBondContact O-CA 3.47Å; L83-V94 HydrophobicContact CD1-CG2 4.14Å; L83-V94 HydrophobicContact CG-CG2 4.22Å; V94-I101 WeakPolarHBondContact O-CA 3.39Å; V94-F102 PolarHBondContact N-O 2.86Å; V94-F102 PolarHBondContact O-N 2.84Å; V94-L104 HydrophobicContact CG2-CD1 4.05Å; V94-L596 HydrophobicContact CG1-CD1 4.16Å; V94-L596 HydrophobicContact CG1-CD2 3.91Å; V94-V601 HydrophobicContact CG1-CG2 4Å; V94-V601 HydrophobicContact CG2-CG2 4.48Å
95	I	91.2	Very high	87.8	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.1	169.6	-73.4	164.2	0	0	0	109.6	Y80 T81 N82 A100 I101 F140 L143	Y80-I95 CarbonylContact C-O 3.54Å; Y80-I95 VanDerWaalsContact CA-O 3.24Å; Y80-I95 WeakPolarHBondContact CA-O 3.23Å; T81-I95 PolarHBondContact N-O 2.83Å; T81-I95 VanDerWaalsContact N-O 3.09Å; N82-I95 HydrophobicContact CB-CB 4.3Å; N82-I95 HydrophobicContact CB-CD1 4.13Å; N82-I95 PolarHBondContact O-N 2.95Å; I95-A100 CarbonylContact C-O 3.51Å; I95-A100 VanDerWaalsContact CA-O 3.27Å; I95-A100 WeakPolarHBondContact CA-O 3.35Å; I95-I101 HydrophobicContact CG1-CG1 3.78Å; I95-F140 HydrophobicContact CD1-CB 3.74Å; I95-F140 HydrophobicContact CD1-CG 4.32Å; I95-F140 HydrophobicContact CG1-CB 4.4Å; I95-F140 HydrophobicContact CG1-CD2 4.41Å; I95-L143 HydrophobicContact CD1-CB 3.75Å; I95-L143 HydrophobicContact CD1-CD2 3.87Å; I95-L143 HydrophobicContact CD1-CG 4.43Å; I95-L143 HydrophobicContact CG1-CD2 4.03Å
96	G	87	Confident	87.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.3	170.2	0	0	0	0	0	112.2	S77 G78 R98 N99 A100	S77-G96 WeakPolarHBondContact OG-CA 3.38Å; G78-G96 CarbonylContact O-C 3.57Å; G78-G96 WeakPolarHBondContact O-CA 3.49Å; G96-R98 PolarHBondContact O-N 3.41Å; G96-N99 PolarHBondContact O-N 3.09Å; G96-A100 PolarHBondContact N-O 2.87Å; G96-A100 PolarHBondContact O-N 3.4Å
97	N	80	Confident	87.6	Confident	70 Å²	70	34.7 Å²	34.7	37%	0.374	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	15.6	-176.5	-86.8	2.5	0	0	0	115.6	H76 S77 G78 N79 N99	H76-N97 PolarHBondContact O-ND2 2.88Å; S77-N97 PolarHBondContact OG-N 3.3Å; G78-N97 VanDerWaalsContact C-OD1 3.3Å; G78-N97 PolarHBondContact N-OD1 2.86Å; G78-N97 PolarHBondContact O-N 3.43Å; G78-N97 PolarHBondContact O-OD1 2.95Å; N79-N97 PolarHBondContact O-N 3.14Å; N97-N99 WeakPolarHBondContact CB-OD1 3.43Å; N97-N99 PolarHBondContact O-N 2.93Å; N97-N99 PolarHBondContact O-OD1 2.99Å
98	R	75.2	Confident	87.8	Confident	102 Å²	102	35.2 Å²	35.2	39%	0.385	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-12.8	-164.2	-54.9	179.6	178.7	176.3	-3.1	115.7	G96 G139 F140	G96-R98 PolarHBondContact O-N 3.41Å; R98-G139 CarbonylContact O-C 3.53Å; R98-G139 WeakPolarHBondContact O-CA 3.48Å; R98-F140 VanDerWaalsContact O-CD2 3.24Å; R98-F140 WeakPolarHBondContact O-CD2 3.4Å; R98-F140 PolarHBondContact O-N 3.23Å
99	N	85.2	Confident	88.2	Confident	37 Å²	37	30.3 Å²	30.3	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-6.1	-176.2	76	-52.4	0	0	0	114.7	G96 N97 E116 L117 P138 F140	G96-N99 PolarHBondContact O-N 3.09Å; N97-N99 WeakPolarHBondContact CB-OD1 3.43Å; N97-N99 PolarHBondContact O-N 2.93Å; N97-N99 PolarHBondContact O-OD1 2.99Å; N99-E116 WeakPolarHBondContact O-CA 3.47Å; N99-L117 PolarHBondContact O-N 3.38Å; N99-P138 HydrophobicContact CB-CG 4.06Å; N99-F140 WeakPolarHBondContact O-CE2 3.43Å
100	A	89.4	Confident	88.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.8	-179.3	0	0	0	0	0	111.9	I95 G96 F102 F115 E116	I95-A100 CarbonylContact C-O 3.51Å; I95-A100 VanDerWaalsContact CA-O 3.27Å; I95-A100 WeakPolarHBondContact CA-O 3.35Å; G96-A100 PolarHBondContact N-O 2.87Å; G96-A100 PolarHBondContact O-N 3.4Å; A100-F102 HydrophobicContact CB-CD2 4.43Å; A100-F102 HydrophobicContact CB-CE2 3.52Å; A100-F102 HydrophobicContact CB-CZ 3.6Å; A100-F115 CarbonylContact C-O 3.51Å; A100-F115 WeakPolarHBondContact CA-O 3.12Å; A100-E116 HydrophobicContact CB-CG 3.89Å
101	I	91.8	Very high	88.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.7	165.1	-64.1	166.4	0	0	0	108.4	F93 V94 I95 S114 F115 F140 Y154 L184	F93-I101 HydrophobicContact CB-CG2 4.45Å; V94-I101 WeakPolarHBondContact O-CA 3.39Å; I95-I101 HydrophobicContact CG1-CG1 3.78Å; I101-S114 CarbonylContact O-C 3.54Å; I101-S114 VanDerWaalsContact O-CA 3.26Å; I101-S114 WeakPolarHBondContact O-CA 3.37Å; I101-F115 PolarHBondContact N-O 2.89Å; I101-F115 PolarHBondContact O-N 2.8Å; I101-F140 HydrophobicContact CD1-CD1 3.98Å; I101-F140 HydrophobicContact CD1-CD2 4.2Å; I101-F140 HydrophobicContact CD1-CE1 3.6Å; I101-F140 HydrophobicContact CD1-CE2 3.84Å; I101-F140 HydrophobicContact CD1-CG 4.28Å; I101-F140 HydrophobicContact CD1-CZ 3.52Å; I101-F140 HydrophobicContact CG1-CD2 3.92Å; I101-F140 HydrophobicContact CG1-CE1 4.31Å; I101-F140 HydrophobicContact CG1-CE2 3.6Å; I101-F140 HydrophobicContact CG1-CG 4.42Å; I101-F140 HydrophobicContact CG1-CZ 3.82Å; I101-Y154 HydrophobicContact CD1-CD1 3.55Å; I101-Y154 HydrophobicContact CD1-CE1 4.14Å; I101-Y154 HydrophobicContact CD1-CG 4.08Å; I101-L184 HydrophobicContact CB-CD1 4.24Å; I101-L184 HydrophobicContact CG2-CD1 3.73Å; I101-L184 HydrophobicContact CG2-CD2 3.94Å; I101-L184 HydrophobicContact CG2-CG 4.49Å
102	F	93.3	Very high	88.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.7	175.7	-56.5	-85.5	0	0	0	109.9	F72 H74 Y80 F93 V94 A100 L104 L111	F72-F102 HydrophobicContact CE1-CG 4.31Å; F72-F102 HydrophobicContact CZ-CB 4.44Å; F72-F102 AromaticContact CZ-CD1 3.98Å; F72-F102 HydrophobicContact CZ-CD1 3.98Å; F72-F102 HydrophobicContact CZ-CG 4.16Å; H74-F102 HydrophobicContact CB-CE1 4.18Å; H74-F102 HydrophobicContact CB-CZ 4.11Å; H74-F102 AromaticContact CG-CE1 3.79Å; H74-F102 AromaticContact CG-CZ 3.89Å; H74-F102 AromaticContact ND1-CE1 3.81Å; H74-F102 AromaticContact ND1-CZ 3.63Å; Y80-F102 AromaticContact CE1-CD2 3.95Å; Y80-F102 HydrophobicContact CE1-CD2 3.95Å; Y80-F102 AromaticContact CE1-CE2 3.96Å; Y80-F102 HydrophobicContact CE1-CE2 3.96Å; F93-F102 CarbonylContact C-O 3.34Å; F93-F102 WeakPolarHBondContact CA-O 3.04Å; V94-F102 PolarHBondContact N-O 2.86Å; V94-F102 PolarHBondContact O-N 2.84Å; A100-F102 HydrophobicContact CB-CD2 4.43Å; A100-F102 HydrophobicContact CB-CE2 3.52Å; A100-F102 HydrophobicContact CB-CZ 3.6Å; F102-L104 HydrophobicContact CB-CD2 4Å; F102-L104 HydrophobicContact CB-CG 4.42Å; F102-L111 HydrophobicContact CB-CD1 4.08Å; F102-L111 HydrophobicContact CD1-CD1 3.88Å; F102-L111 HydrophobicContact CG-CD1 4.48Å
103	R	94.1	Very high	88.7	Confident	25 Å²	25	40.1 Å²	40.1	9%	0.094	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.9	166.4	-177.8	-174.2	173.4	-157.6	-0	108	S91 I92 F93 M112 A113 L182 L184	S91-R103 PolarHBondContact OG-NE 3.15Å; S91-R103 PolarHBondContact OG-NH2 3.46Å; I92-R103 CarbonylContact O-C 3.44Å; I92-R103 WeakPolarHBondContact O-CA 3.16Å; F93-R103 HydrophobicContact CD1-CB 3.8Å; F93-R103 HydrophobicContact CD1-CG 3.99Å; F93-R103 HydrophobicContact CE1-CB 3.7Å; F93-R103 HydrophobicContact CE1-CG 3.53Å; F93-R103 HydrophobicContact CZ-CG 4.05Å; R103-M112 HydrophobicContact CB-CB 4.44Å; R103-M112 HydrophobicContact CG-CB 4.06Å; R103-M112 HydrophobicContact CG-SD 4.34Å; R103-M112 WeakPolarHBondContact O-CB 3.26Å; R103-M112 PolarHBondContact O-N 3.09Å; R103-A113 HydrophobicContact CB-CB 4.13Å; R103-A113 PolarHBondContact N-O 2.75Å; R103-A113 PolarHBondContact O-N 3.43Å; R103-L182 PolarHBondContact NH1-O 2.85Å; R103-L184 HydrophobicContact CB-CD1 4.02Å; R103-L184 HydrophobicContact CB-CG 4.49Å
104	L	93	Very high	88.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.8	179.2	-46.6	177.9	0	0	0	110.7	F72 I92 V94 F102 L109 R110 L111 V601	F72-L104 HydrophobicContact CB-CD1 4.26Å; F72-L104 HydrophobicContact CD1-CD1 3.71Å; F72-L104 HydrophobicContact CD1-CD2 4.14Å; F72-L104 HydrophobicContact CD2-CD1 4.47Å; F72-L104 HydrophobicContact CD2-CD2 3.83Å; F72-L104 HydrophobicContact CE1-CD1 4.19Å; F72-L104 HydrophobicContact CE1-CD2 4.01Å; F72-L104 HydrophobicContact CE2-CD2 3.7Å; F72-L104 HydrophobicContact CG-CD1 3.88Å; F72-L104 HydrophobicContact CG-CD2 4.07Å; F72-L104 HydrophobicContact CZ-CD2 3.79Å; I92-L104 HydrophobicContact CD1-CB 4.24Å; I92-L104 HydrophobicContact CG1-CB 3.91Å; I92-L104 WeakPolarHBondContact CG1-O 3.19Å; I92-L104 PolarHBondContact N-O 3.2Å; I92-L104 VanDerWaalsContact N-O 3.1Å; I92-L104 PolarHBondContact O-N 2.89Å; V94-L104 HydrophobicContact CG2-CD1 4.05Å; F102-L104 HydrophobicContact CB-CD2 4Å; F102-L104 HydrophobicContact CB-CG 4.42Å; L104-L109 HydrophobicContact CD1-CD2 4.35Å; L104-R110 WeakPolarHBondContact CA-O 3.32Å; L104-L111 HydrophobicContact CD2-CB 4.35Å; L104-L111 HydrophobicContact CD2-CD1 3.8Å; L104-V601 HydrophobicContact CD1-CG1 4.29Å
105	N	89.7	Confident	88.4	Confident	39 Å²	39	44.8 Å²	44.8	21%	0.209	22%	0.215	C	C	.	.			trans	-73.5	127.6	169.8	178.5	-43	0	0	0	109.5	E107 N108 L109 R110 M112	N105-E107 PolarHBondContact O-N 2.78Å; N105-E107 VanDerWaalsContact OD1-CB 3.31Å; N105-E107 WeakPolarHBondContact OD1-CB 3.31Å; N105-E107 PolarHBondContact OD1-N 2.7Å; N105-N108 WeakPolarHBondContact CB-OD1 3.36Å; N105-L109 WeakPolarHBondContact O-CA 3.28Å; N105-L109 PolarHBondContact O-N 2.78Å; N105-R110 HydrophobicContact CB-CB 4.43Å; N105-R110 PolarHBondContact N-O 2.56Å; N105-M112 HydrophobicContact CB-CG 4.07Å; N105-M112 HydrophobicContact CB-SD 3.83Å
106	P	86.7	Confident	88.1	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.013	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2	-176.7	34	-39.5	0	0	0	114.4	D90 I92 I587 K588 Y594 Q603	D90-P106 WeakPolarHBondContact O-CD 3.21Å; D90-P106 WeakPolarHBondContact O-CG 3.31Å; I92-P106 HydrophobicContact CG2-CB 4.38Å; P106-I587 HydrophobicContact CB-CD1 3.69Å; P106-I587 HydrophobicContact CG-CD1 3.65Å; P106-I587 HydrophobicContact CG-CG2 4.48Å; P106-K588 PolarHBondContact O-NZ 2.85Å; P106-Y594 WeakPolarHBondContact CB-OH 3.22Å; P106-Y594 PolarHBondContact O-OH 2.68Å; P106-Q603 PolarHBondContact O-NE2 2.05Å
107	E	82.8	Confident	88	Confident	129 Å²	129	49.2 Å²	49.2	60%	0.603	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-32	177	-58	-154.3	117.6	0	0	113.5	N70 N105	N70-E107 PolarHBondContact ND2-O 3.34Å; N105-E107 PolarHBondContact O-N 2.78Å; N105-E107 VanDerWaalsContact OD1-CB 3.31Å; N105-E107 WeakPolarHBondContact OD1-CB 3.31Å; N105-E107 PolarHBondContact OD1-N 2.7Å
108	N	85.5	Confident	87.8	Confident	75 Å²	75	49.7 Å²	49.7	40%	0.401	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	6.4	-168.3	56.4	26.9	0	0	0	114.1	N70 N105 R110	N70-N108 WeakPolarHBondContact ND2-CA 3.37Å; N105-N108 WeakPolarHBondContact CB-OD1 3.36Å; N108-R110 PolarHBondContact O-N 2.86Å; N108-R110 VanDerWaalsContact O-N 3.07Å; N108-R110 WeakPolarHBondContact OD1-CB 3.36Å; N108-R110 PolarHBondContact OD1-N 2.74Å
109	L	90.2	Very high	87.3	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	26%	0.255	C	S	.	.			trans	53.4	18.3	-172.2	-57.1	-179	0	0	0	115.3	N70 F72 I92 L104 N105 L111 Y594 V601 Q603	N70-L109 HydrophobicContact CB-CB 4.45Å; N70-L109 HydrophobicContact CB-CD1 3.99Å; N70-L109 HydrophobicContact CB-CG 3.97Å; F72-L109 HydrophobicContact CB-CB 3.76Å; F72-L109 HydrophobicContact CB-CD1 4.13Å; I92-L109 HydrophobicContact CD1-CD2 3.84Å; L104-L109 HydrophobicContact CD1-CD2 4.35Å; N105-L109 WeakPolarHBondContact O-CA 3.28Å; N105-L109 PolarHBondContact O-N 2.78Å; L109-L111 PolarHBondContact O-N 2.88Å; L109-Y594 HydrophobicContact CD2-CD1 4.16Å; L109-Y594 HydrophobicContact CD2-CE1 3.85Å; L109-V601 HydrophobicContact CD1-CG1 4.19Å; L109-V601 WeakPolarHBondContact CD1-O 3.46Å; L109-V601 HydrophobicContact CD2-CG1 4.3Å; L109-Q603 HydrophobicContact CD1-CB 3.92Å; L109-Q603 HydrophobicContact CD2-CB 4.32Å; L109-Q603 HydrophobicContact CG-CB 4.16Å
110	R	89.3	Confident	86.3	Confident	187 Å²	187	54.3 Å²	54.3	71%	0.706	28%	0.275	S	S	*	.			trans	-63.5	130.9	177.5	-176.1	176.8	178.4	169.8	1.9	110.2	L104 N105 N108 M112	L104-R110 WeakPolarHBondContact CA-O 3.32Å; N105-R110 HydrophobicContact CB-CB 4.43Å; N105-R110 PolarHBondContact N-O 2.56Å; N108-R110 PolarHBondContact O-N 2.86Å; N108-R110 VanDerWaalsContact O-N 3.07Å; N108-R110 WeakPolarHBondContact OD1-CB 3.36Å; N108-R110 PolarHBondContact OD1-N 2.74Å; R110-M112 PolarHBondContact O-N 3.4Å
111	L	90.9	Very high	84.9	Confident	68 Å²	68	55 Å²	55	36%	0.356	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	128.4	173.9	-175	62.7	0	0	0	110.9	F72 F102 L104 L109 A113	F72-L111 HydrophobicContact CE2-CB 4.15Å; F72-L111 HydrophobicContact CE2-CD1 4.44Å; F72-L111 HydrophobicContact CZ-CD1 4.48Å; F102-L111 HydrophobicContact CB-CD1 4.08Å; F102-L111 HydrophobicContact CD1-CD1 3.88Å; F102-L111 HydrophobicContact CG-CD1 4.48Å; L104-L111 HydrophobicContact CD2-CB 4.35Å; L104-L111 HydrophobicContact CD2-CD1 3.8Å; L109-L111 PolarHBondContact O-N 2.88Å; L111-A113 VanDerWaalsContact CD1-O 3.29Å; L111-A113 WeakPolarHBondContact CD1-O 3.03Å
112	M	90.5	Very high	83.3	Confident	85 Å²	85	63.2 Å²	63.2	42%	0.419	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-40	177.6	-56	179.4	75.5	0	0	111.8	R103 N105 R110	R103-M112 HydrophobicContact CB-CB 4.44Å; R103-M112 HydrophobicContact CG-CB 4.06Å; R103-M112 HydrophobicContact CG-SD 4.34Å; R103-M112 WeakPolarHBondContact O-CB 3.26Å; R103-M112 PolarHBondContact O-N 3.09Å; N105-M112 HydrophobicContact CB-CG 4.07Å; N105-M112 HydrophobicContact CB-SD 3.83Å; R110-M112 PolarHBondContact O-N 3.4Å
113	A	90	Very high	81.6	Confident	17 Å²	17	66.3 Å²	66.3	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	157.6	174.7	0	0	0	0	0	110.2	R103 L111 L184	R103-A113 HydrophobicContact CB-CB 4.13Å; R103-A113 PolarHBondContact N-O 2.75Å; R103-A113 PolarHBondContact O-N 3.43Å; L111-A113 VanDerWaalsContact CD1-O 3.29Å; L111-A113 WeakPolarHBondContact CD1-O 3.03Å; A113-L184 HydrophobicContact CB-CD1 4.39Å
114	S	90.4	Very high	80.1	Confident	57 Å²	57	65.6 Å²	65.6	40%	0.399	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.1	170.7	54.2	0	0	0	0	111.6	I101	I101-S114 CarbonylContact O-C 3.54Å; I101-S114 VanDerWaalsContact O-CA 3.26Å; I101-S114 WeakPolarHBondContact O-CA 3.37Å
115	F	89.2	Confident	78.9	Confident	40 Å²	40	69.1 Å²	69.1	18%	0.175	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.8	176.5	176.5	-106.8	0	0	0	109.7	A100 I101 L117 F140 Y154 L184 P186	A100-F115 CarbonylContact C-O 3.51Å; A100-F115 WeakPolarHBondContact CA-O 3.12Å; I101-F115 PolarHBondContact N-O 2.89Å; I101-F115 PolarHBondContact O-N 2.8Å; F115-L117 HydrophobicContact CE1-CD2 4.11Å; F115-F140 HydrophobicContact CD1-CZ 4.02Å; F115-F140 HydrophobicContact CE1-CZ 4.16Å; F115-Y154 HydrophobicContact CD1-CE1 4.47Å; F115-Y154 HydrophobicContact CE1-CE1 4.47Å; F115-Y154 AromaticContact CE1-CZ 3.98Å; F115-Y154 WeakPolarHBondContact CE1-OH 3.43Å; F115-L184 HydrophobicContact CB-CB 3.66Å; F115-L184 HydrophobicContact CB-CD1 4.47Å; F115-P186 HydrophobicContact CZ-CG 4.41Å
116	E	86.4	Confident	78	Confident	91 Å²	91	68.6 Å²	68.6	43%	0.425	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.5	178.7	-59.7	-165.6	168.1	0	0	111	H74 N99 A100	H74-E116 IonicContact CE1-OE1 3.15Å; N99-E116 WeakPolarHBondContact O-CA 3.47Å; A100-E116 HydrophobicContact CB-CG 3.89Å
117	L	84.5	Confident	77	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.037	39%	0.386	C	S	.	.			trans	-66.6	133.7	176.3	-66.7	174.3	0	0	0	110.8	N99 F115 S119 P138 F140 Y156	N99-L117 PolarHBondContact O-N 3.38Å; F115-L117 HydrophobicContact CE1-CD2 4.11Å; L117-S119 PolarHBondContact O-N 3.27Å; L117-P138 HydrophobicContact CB-CB 4.04Å; L117-P138 HydrophobicContact CD1-CB 4.1Å; L117-F140 HydrophobicContact CD1-CD1 4.2Å; L117-F140 HydrophobicContact CD1-CD2 3.96Å; L117-F140 HydrophobicContact CD1-CE1 4.06Å; L117-F140 HydrophobicContact CD1-CE2 3.81Å; L117-F140 HydrophobicContact CD1-CG 4.14Å; L117-F140 HydrophobicContact CD1-CZ 3.87Å; L117-F140 HydrophobicContact CD2-CE1 3.77Å; L117-F140 HydrophobicContact CD2-CE2 4.29Å; L117-F140 HydrophobicContact CD2-CZ 3.58Å; L117-F140 HydrophobicContact CG-CD2 4.34Å; L117-F140 HydrophobicContact CG-CE1 4.01Å; L117-F140 HydrophobicContact CG-CE2 3.67Å; L117-F140 HydrophobicContact CG-CZ 3.48Å; L117-F140 VanDerWaalsContact CG-CZ 3.48Å; L117-Y156 HydrophobicContact CD1-CG 4.04Å; L117-Y156 HydrophobicContact CD2-CD1 3.56Å; L117-Y156 HydrophobicContact CD2-CD2 4.18Å; L117-Y156 HydrophobicContact CD2-CE1 3.9Å; L117-Y156 HydrophobicContact CD2-CE2 4.5Å; L117-Y156 HydrophobicContact CD2-CG 3.7Å
118	P	75.8	Confident	76.1	Confident	80 Å²	80	73.7 Å²	73.7	52%	0.519	39%	0.386	S	S	.	.			trans	-63.7	131.8	-179.1	22.7	-29.5	0	0	0	110.5	K120 Y158	P118-K120 PolarHBondContact O-N 2.04Å; P118-Y158 WeakPolarHBondContact CG-OH 3.29Å; P118-Y158 VanDerWaalsContact O-CE1 3.24Å; P118-Y158 WeakPolarHBondContact O-CE1 3.48Å; P118-Y158 PolarHBondContact O-OH 3.44Å
119	S	65.4	Low	74.9	Confident	92 Å²	92	72.8 Å²	72.8	64%	0.643	38%	0.382	S	S	*	.	S	Bend	trans	-66.2	-9.2	-166.1	58.9	0	0	0	0	116.2	L117	L117-S119 PolarHBondContact O-N 3.27Å
120	K	63.7	Low	73.3	Confident	144 Å²	144	79.2 Å²	79.2	63%	0.626	42%	0.421	S	S	*	.	S	Bend	trans	-140.8	132.8	172.3	-64.1	-175.9	-178.6	179.1	0	110.1	P118	P118-K120 PolarHBondContact O-N 2.04Å
121	P	60.3	Low	72.2	Confident	14 Å²	14	79.4 Å²	79.4	9%	0.091	43%	0.427	C	S	.	.			trans	-71.4	156.8	171.7	31.8	-32.2	0	0	0	110.1	T123 E136 Y158	P121-T123 PolarHBondContact O-N 3Å; P121-T123 VanDerWaalsContact O-N 3.11Å; P121-E136 WeakPolarHBondContact CD-OE2 3.5Å; P121-Y158 HydrophobicContact CB-CD1 4.34Å; P121-Y158 HydrophobicContact CB-CD2 4.06Å; P121-Y158 HydrophobicContact CB-CE1 4.31Å; P121-Y158 HydrophobicContact CB-CE2 4.05Å; P121-Y158 HydrophobicContact CB-CG 4.21Å; P121-Y158 HydrophobicContact CG-CD1 4.01Å; P121-Y158 HydrophobicContact CG-CD2 4.37Å; P121-Y158 HydrophobicContact CG-CE1 4.34Å; P121-Y158 HydrophobicContact CG-CG 4.02Å
122	I	56.8	Low	71	Confident	172 Å²	172	77.9 Å²	77.9	88%	0.882	42%	0.421	S	S	*	.	S	Bend	trans	-57.1	-29	177.8	-59.4	173.4	0	0	0	111.3
123	T	58.8	Low	70	Confident	66 Å²	66	78.1 Å²	78.1	41%	0.405	43%	0.429	S	S	.	.	S	Bend	trans	-122.3	85.4	174.6	53.2	0	0	0	0	110.3	P121 N170 W1135	P121-T123 PolarHBondContact O-N 3Å; P121-T123 VanDerWaalsContact O-N 3.11Å; T123-N170 PolarHBondContact O-ND2 3.28Å; T123-W1135 HydrophobicContact CG2-CZ2 4.29Å
124	S	62.2	Low	69.2	Low	10 Å²	10	78.8 Å²	78.8	7%	0.07	43%	0.432	C	S	.	.			trans	-85.3	134.9	174.7	47.9	0	0	0	0	112.1	C126 M127 E136	S124-C126 VanDerWaalsContact C-N 3.32Å; S124-M127 PolarHBondContact O-N 2.82Å; S124-M127 WeakPolarHBondContact OG-CE 3.28Å; S124-M127 VanDerWaalsContact OG-CG 3.3Å; S124-M127 WeakPolarHBondContact OG-CG 3.05Å; S124-E136 WeakPolarHBondContact CA-OE1 3.29Å; S124-E136 VanDerWaalsContact CB-OE1 3.32Å; S124-E136 WeakPolarHBondContact CB-OE1 3.47Å; S124-E136 WeakPolarHBondContact CB-OE2 3.4Å
125	F	67.3	Low	68.5	Low	73 Å²	73	80.4 Å²	80.4	32%	0.32	44%	0.435	S	S	.	.	S	Bend	trans	-70.2	-30.4	172	-80	-73.3	0	0	0	111.3	M127 T128 E136 T160 N170	F125-M127 VanDerWaalsContact C-N 3.26Å; F125-M127 PolarHBondContact O-N 2.91Å; F125-T128 PolarHBondContact O-N 3.01Å; F125-T128 VanDerWaalsContact O-N 3.11Å; F125-T128 PolarHBondContact O-OG1 2.8Å; F125-E136 PolarHBondContact N-OE1 2.85Å; F125-T160 HydrophobicContact CB-CG2 4.2Å; F125-N170 HydrophobicContact CD2-CB 3.89Å; F125-N170 HydrophobicContact CE2-CB 3.94Å; F125-N170 VanDerWaalsContact CE2-CG 3.47Å; F125-N170 WeakPolarHBondContact CE2-OD1 3.37Å
126	C	71.3	Confident	67.8	Low	29 Å²	29	79.7 Å²	79.7	20%	0.196	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-63.6	-28.8	176.1	-67	0	0	0	0	113.4	S124 T128 C134 E136	S124-C126 VanDerWaalsContact C-N 3.32Å; C126-T128 PolarHBondContact O-N 2.66Å; C126-C134 WeakPolarHBondContact CA-SG 3.48Å; C126-C134 HydrophobicContact CB-CB 3.8Å; C126-C134 WeakPolarHBondContact CB-SG 3.45Å; C126-C134 WeakPolarHBondContact SG-CB 3.05Å; C126-C134 PolarHBondContact SG-O 2.94Å; C126-C134 VanDerWaalsContact SG-O 3.41Å; C126-C134 CovalentContact SG-SG 2.04Å; C126-C134 PolarHBondContact SG-SG 3.43Å; C126-E136 PolarHBondContact N-OE1 3.17Å
127	M	65.6	Low	67.4	Low	139 Å²	139	78.3 Å²	78.3	69%	0.685	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-70.9	-16.1	175.4	-78.6	-160.2	-65.5	0	0	113.7	S124 F125	S124-M127 PolarHBondContact O-N 2.82Å; S124-M127 WeakPolarHBondContact OG-CE 3.28Å; S124-M127 VanDerWaalsContact OG-CG 3.3Å; S124-M127 WeakPolarHBondContact OG-CG 3.05Å; F125-M127 VanDerWaalsContact C-N 3.26Å; F125-M127 PolarHBondContact O-N 2.91Å
128	T	63.6	Low	67.4	Low	98 Å²	98	79 Å²	79	60%	0.601	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-87.8	-11.6	179.8	70	0	0	0	0	114	F125 C126	F125-T128 PolarHBondContact O-N 3.01Å; F125-T128 VanDerWaalsContact O-N 3.11Å; F125-T128 PolarHBondContact O-OG1 2.8Å; C126-T128 PolarHBondContact O-N 2.66Å
129	N	60.4	Low	67.8	Low	57 Å²	57	75.2 Å²	75.2	31%	0.305	41%	0.411	S	S	.	.			trans	-137	85.9	-174.8	-176.9	7.7	0	0	0	112.4	K131 T132	N129-K131 PolarHBondContact O-N 2.78Å; N129-K131 PolarHBondContact OD1-N 2.95Å; N129-T132 PolarHBondContact ND2-OG1 3.03Å
130	T	57.1	Low	68.9	Low	138 Å²	138	71.5 Å²	71.5	85%	0.847	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	2	-176.7	61	0	0	0	0	115.3
131	K	65.2	Low	69.9	Low	190 Å²	190	66.5 Å²	66.5	83%	0.826	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-11.1	-173.1	-74.9	-169.4	174.6	-174.2	0	115.2	N129	N129-K131 PolarHBondContact O-N 2.78Å; N129-K131 PolarHBondContact OD1-N 2.95Å
132	T	65.7	Low	71.2	Confident	37 Å²	37	66.4 Å²	66.4	23%	0.227	36%	0.361	C	S	.	.	S	Bend	trans	-129.8	136.4	-175.6	54.7	0	0	0	0	110.5	N129 C134 M163	N129-T132 PolarHBondContact ND2-OG1 3.03Å; T132-C134 PolarHBondContact O-N 3.3Å; T132-M163 HydrophobicContact CG2-CE 3.68Å
133	P	69.6	Low	72.8	Confident	90 Å²	90	59 Å²	59	58%	0.584	32%	0.324	S	S	*	.			trans	-58	126.8	173.6	25.7	-33.5	0	0	0	109.5	M163	P133-M163 HydrophobicContact CG-CG 4.42Å; P133-M163 PolarHBondContact O-N 2.94Å; P133-M163 VanDerWaalsContact O-N 3.17Å
134	C	73.8	Confident	74.3	Confident	30 Å²	30	57.2 Å²	57.2	20%	0.203	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	119.4	-168	-176.5	0	0	0	0	107.8	C126 T132 T160 V161 Y162	C126-C134 WeakPolarHBondContact CA-SG 3.48Å; C126-C134 HydrophobicContact CB-CB 3.8Å; C126-C134 WeakPolarHBondContact CB-SG 3.45Å; C126-C134 WeakPolarHBondContact SG-CB 3.05Å; C126-C134 PolarHBondContact SG-O 2.94Å; C126-C134 VanDerWaalsContact SG-O 3.41Å; C126-C134 CovalentContact SG-SG 2.04Å; C126-C134 PolarHBondContact SG-SG 3.43Å; T132-C134 PolarHBondContact O-N 3.3Å; C134-T160 WeakPolarHBondContact SG-CG2 3.08Å; C134-V161 WeakPolarHBondContact CA-O 2.91Å; C134-Y162 HydrophobicContact CB-CD1 3.98Å; C134-Y162 HydrophobicContact CB-CE1 3.85Å; C134-Y162 WeakPolarHBondContact SG-CE1 3.36Å; C134-Y162 VanDerWaalsContact SG-CZ 3.59Å
135	I	75.3	Confident	75.6	Confident	91 Å²	91	58.9 Å²	58.9	47%	0.467	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.5	-179.5	-55.4	176.2	0	0	0	107.4	T137 T160 V161	I135-T137 HydrophobicContact CG2-CG2 4.12Å; I135-T160 CarbonylContact O-C 3.59Å; I135-V161 PolarHBondContact N-O 3.29Å; I135-V161 PolarHBondContact O-N 2.76Å
136	E	74.8	Confident	76.5	Confident	26 Å²	26	55.6 Å²	55.6	12%	0.121	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.3	169.6	-91.2	167	-155.5	0	0	109.5	P121 S124 F125 C126 Q159 T160	P121-E136 WeakPolarHBondContact CD-OE2 3.5Å; S124-E136 WeakPolarHBondContact CA-OE1 3.29Å; S124-E136 VanDerWaalsContact CB-OE1 3.32Å; S124-E136 WeakPolarHBondContact CB-OE1 3.47Å; S124-E136 WeakPolarHBondContact CB-OE2 3.4Å; F125-E136 PolarHBondContact N-OE1 2.85Å; C126-E136 PolarHBondContact N-OE1 3.17Å; E136-Q159 WeakPolarHBondContact CA-O 3.24Å; E136-T160 HydrophobicContact CG-CG2 4.17Å; E136-T160 WeakPolarHBondContact CG-OG1 3.18Å
137	T	77.7	Confident	77.1	Confident	61 Å²	61	58.6 Å²	58.6	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.1	175.5	49.1	0	0	0	0	110.1	I135 Y158 Q159	I135-T137 HydrophobicContact CG2-CG2 4.12Å; T137-Y158 WeakPolarHBondContact O-CA 3.43Å; T137-Q159 PolarHBondContact N-O 2.74Å; T137-Q159 PolarHBondContact O-N 2.97Å; T137-Q159 PolarHBondContact OG1-O 3.17Å
138	P	84.4	Confident	77.9	Confident	23 Å²	23	55.8 Å²	55.8	15%	0.149	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	147.1	164	28.2	-31.3	0	0	0	110.1	N99 L117 Y158	N99-P138 HydrophobicContact CB-CG 4.06Å; L117-P138 HydrophobicContact CB-CB 4.04Å; L117-P138 HydrophobicContact CD1-CB 4.1Å; P138-Y158 HydrophobicContact CB-CD1 3.88Å; P138-Y158 HydrophobicContact CB-CE1 3.67Å; P138-Y158 HydrophobicContact CG-CE1 4.36Å
139	G	85.8	Confident	78.8	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	134.5	168	0	0	0	0	0	113	R98 N141 Y156 L157	R98-G139 CarbonylContact O-C 3.53Å; R98-G139 WeakPolarHBondContact O-CA 3.48Å; G139-N141 PolarHBondContact O-N 3.35Å; G139-Y156 VanDerWaalsContact O-CA 3.27Å; G139-Y156 WeakPolarHBondContact O-CA 3.41Å; G139-L157 PolarHBondContact N-O 2.92Å; G139-L157 PolarHBondContact O-N 2.72Å
140	F	88.5	Confident	79.7	Confident	14 Å²	14	59.6 Å²	59.6	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.4	160.8	-67.7	-70.5	0	0	0	109.1	I95 R98 N99 I101 F115 L117 Y154 C155 Y156	I95-F140 HydrophobicContact CD1-CB 3.74Å; I95-F140 HydrophobicContact CD1-CG 4.32Å; I95-F140 HydrophobicContact CG1-CB 4.4Å; I95-F140 HydrophobicContact CG1-CD2 4.41Å; R98-F140 VanDerWaalsContact O-CD2 3.24Å; R98-F140 WeakPolarHBondContact O-CD2 3.4Å; R98-F140 PolarHBondContact O-N 3.23Å; N99-F140 WeakPolarHBondContact O-CE2 3.43Å; I101-F140 HydrophobicContact CD1-CD1 3.98Å; I101-F140 HydrophobicContact CD1-CD2 4.2Å; I101-F140 HydrophobicContact CD1-CE1 3.6Å; I101-F140 HydrophobicContact CD1-CE2 3.84Å; I101-F140 HydrophobicContact CD1-CG 4.28Å; I101-F140 HydrophobicContact CD1-CZ 3.52Å; I101-F140 HydrophobicContact CG1-CD2 3.92Å; I101-F140 HydrophobicContact CG1-CE1 4.31Å; I101-F140 HydrophobicContact CG1-CE2 3.6Å; I101-F140 HydrophobicContact CG1-CG 4.42Å; I101-F140 HydrophobicContact CG1-CZ 3.82Å; F115-F140 HydrophobicContact CD1-CZ 4.02Å; F115-F140 HydrophobicContact CE1-CZ 4.16Å; L117-F140 HydrophobicContact CD1-CD1 4.2Å; L117-F140 HydrophobicContact CD1-CD2 3.96Å; L117-F140 HydrophobicContact CD1-CE1 4.06Å; L117-F140 HydrophobicContact CD1-CE2 3.81Å; L117-F140 HydrophobicContact CD1-CG 4.14Å; L117-F140 HydrophobicContact CD1-CZ 3.87Å; L117-F140 HydrophobicContact CD2-CE1 3.77Å; L117-F140 HydrophobicContact CD2-CE2 4.29Å; L117-F140 HydrophobicContact CD2-CZ 3.58Å; L117-F140 HydrophobicContact CG-CD2 4.34Å; L117-F140 HydrophobicContact CG-CE1 4.01Å; L117-F140 HydrophobicContact CG-CE2 3.67Å; L117-F140 HydrophobicContact CG-CZ 3.48Å; L117-F140 VanDerWaalsContact CG-CZ 3.48Å; F140-Y154 HydrophobicContact CD1-CD2 4.05Å; F140-Y154 HydrophobicContact CD1-CG 4.14Å; F140-Y154 HydrophobicContact CE1-CD1 4.21Å; F140-Y154 AromaticContact CE1-CD2 3.65Å; F140-Y154 HydrophobicContact CE1-CD2 3.65Å; F140-Y154 HydrophobicContact CE1-CE1 4.42Å; F140-Y154 AromaticContact CE1-CE2 3.92Å; F140-Y154 HydrophobicContact CE1-CE2 3.92Å; F140-Y154 AromaticContact CE1-CG 3.85Å; F140-Y154 HydrophobicContact CE1-CG 3.85Å; F140-C155 CarbonylContact C-O 3.44Å; F140-C155 VanDerWaalsContact CA-O 3.29Å; F140-C155 WeakPolarHBondContact CA-O 3.08Å; F140-Y156 HydrophobicContact CE1-CD1 4.28Å
141	N	84.7	Confident	81	Confident	38 Å²	38	55.1 Å²	55.1	20%	0.203	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	0.1	178.5	63.6	-8.8	0	0	0	112.6	G139 C155 Y156 N195 S199 S200	G139-N141 PolarHBondContact O-N 3.35Å; N141-C155 PolarHBondContact N-O 3.21Å; N141-C155 WeakPolarHBondContact OD1-CB 3.48Å; N141-C155 PolarHBondContact OD1-O 3.34Å; N141-Y156 PolarHBondContact OD1-N 3.27Å; N141-N195 PolarHBondContact ND2-ND2 3Å; N141-N195 VanDerWaalsContact ND2-ND2 3.12Å; N141-N195 PolarHBondContact OD1-ND2 2.85Å; N141-S199 PolarHBondContact ND2-OG 3.01Å; N141-S199 VanDerWaalsContact ND2-OG 3.16Å; N141-S199 PolarHBondContact OD1-OG 3.39Å; N141-S200 PolarHBondContact ND2-O 2.74Å
142	L	87.7	Confident	82.1	Confident	12 Å²	12	46 Å²	46	6%	0.063	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.5	167.1	-167.3	67.9	0	0	0	110.3	L144 Y154 C155 S209	L142-L144 HydrophobicContact CD1-CD1 3.82Å; L142-L144 HydrophobicContact CD1-CG 3.9Å; L142-L144 HydrophobicContact CD2-CD1 4.24Å; L142-L144 HydrophobicContact CG-CD1 4.23Å; L142-L144 HydrophobicContact CG-CG 4.15Å; L142-Y154 VanDerWaalsContact O-CA 3.23Å; L142-Y154 WeakPolarHBondContact O-CA 3.44Å; L142-Y154 WeakPolarHBondContact O-CB 2.88Å; L142-C155 HydrophobicContact CB-CB 3.68Å; L142-C155 HydrophobicContact CD2-CB 4.48Å; L142-C155 VanDerWaalsContact CD2-SG 3.52Å; L142-C155 PolarHBondContact N-O 3.09Å; L142-C155 PolarHBondContact O-N 3.49Å; L142-S209 VanDerWaalsContact CD1-CB 3.44Å
143	L	90.4	Very high	83.1	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.089	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	116.6	161.6	175	62.4	0	0	0	108	L84 I95 I152 W153	L84-L143 HydrophobicContact CB-CD2 4.07Å; L84-L143 HydrophobicContact CB-CG 4.18Å; L84-L143 HydrophobicContact CD2-CD1 4.02Å; L84-L143 HydrophobicContact CD2-CG 4.07Å; I95-L143 HydrophobicContact CD1-CB 3.75Å; I95-L143 HydrophobicContact CD1-CD2 3.87Å; I95-L143 HydrophobicContact CD1-CG 4.43Å; I95-L143 HydrophobicContact CG1-CD2 4.03Å; L143-I152 HydrophobicContact CD1-CB 4.46Å; L143-I152 HydrophobicContact CD1-CD1 4.47Å; L143-W153 WeakPolarHBondContact CA-O 3.47Å
144	L	90	Very high	84.1	Confident	29 Å²	29	40 Å²	40	15%	0.152	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.1	-178.7	-71.4	179.4	0	0	0	111	L84 L142 I152 W153 L217	L84-L144 VanDerWaalsContact CD2-C 3.46Å; L84-L144 WeakPolarHBondContact CD2-O 3.32Å; L142-L144 HydrophobicContact CD1-CD1 3.82Å; L142-L144 HydrophobicContact CD1-CG 3.9Å; L142-L144 HydrophobicContact CD2-CD1 4.24Å; L142-L144 HydrophobicContact CG-CD1 4.23Å; L142-L144 HydrophobicContact CG-CG 4.15Å; L144-I152 CarbonylContact O-C 3.58Å; L144-I152 WeakPolarHBondContact O-CA 3.44Å; L144-W153 PolarHBondContact N-O 3.26Å; L144-W153 PolarHBondContact O-N 2.89Å; L144-L217 HydrophobicContact CD1-CD1 3.32Å
145	Q	89	Confident	84.8	Confident	45 Å²	45	38.6 Å²	38.6	21%	0.21	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.3	162.1	-171.1	178.3	33.5	0	0	108.9	L84 L86 K149	L84-Q145 HydrophobicContact CD1-CB 4.24Å; L84-Q145 HydrophobicContact CD2-CB 4.46Å; L86-Q145 HydrophobicContact CD1-CG 4.13Å; Q145-K149 HydrophobicContact CG-CB 4.5Å; Q145-K149 PolarHBondContact NE2-O 3.37Å
146	T	86	Confident	85.4	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.025	18%	0.175	C	C	.	.			trans	-71.5	159.9	172.2	43	0	0	0	0	111.7	D148 K149 N151 W153 I178	T146-D148 WeakPolarHBondContact CB-OD1 3.27Å; T146-D148 PolarHBondContact O-N 2.86Å; T146-D148 PolarHBondContact OG1-OD1 3.37Å; T146-K149 WeakPolarHBondContact O-CA 3.4Å; T146-K149 PolarHBondContact O-N 2.93Å; T146-N151 HydrophobicContact CG2-CB 4.14Å; T146-N151 PolarHBondContact N-O 3.17Å; T146-N151 VanDerWaalsContact N-O 3.08Å; T146-N151 WeakPolarHBondContact OG1-CA 3.33Å; T146-N151 VanDerWaalsContact OG1-CB 3.31Å; T146-N151 WeakPolarHBondContact OG1-CB 3.33Å; T146-N151 PolarHBondContact OG1-N 3.07Å; T146-N151 PolarHBondContact OG1-O 2.78Å; T146-W153 HydrophobicContact CG2-CB 4.04Å; T146-I178 HydrophobicContact CG2-CD1 4.03Å; T146-I178 HydrophobicContact CG2-CG1 4.38Å
147	H	84.8	Confident	86	Confident	92 Å²	92	34.1 Å²	34.1	43%	0.426	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.5	-176.8	-176.9	-100.1	0	0	0	113.3	K149 M211 G212 S213	H147-K149 PolarHBondContact O-N 2.82Å; H147-M211 HydrophobicContact CB-CG 4.2Å; H147-M211 HydrophobicContact CB-SD 4.16Å; H147-G212 PolarHBondContact CD2-O 2.82Å; H147-S213 PolarHBondContact NE2-O 3.42Å
148	D	80.9	Confident	86.2	Confident	79 Å²	79	31.6 Å²	31.6	42%	0.422	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.9	172.3	63.8	17.8	0	0	0	114.4	T146 Q150 N151	T146-D148 WeakPolarHBondContact CB-OD1 3.27Å; T146-D148 PolarHBondContact O-N 2.86Å; T146-D148 PolarHBondContact OG1-OD1 3.37Å; D148-Q150 HydrophobicContact CB-CG 4.12Å; D148-Q150 WeakPolarHBondContact O-CG 3.45Å; D148-Q150 PolarHBondContact O-N 2.89Å; D148-Q150 PolarHBondContact OD1-N 2.96Å; D148-N151 PolarHBondContact OD1-N 2.72Å; D148-N151 PolarHBondContact OD2-ND2 2.94Å
149	K	83	Confident	86	Confident	125 Å²	125	30.6 Å²	30.6	54%	0.543	15%	0.147	S	C	.	.	S	Bend	trans	62.8	5.1	-173	-59.6	177.7	-175.2	175.6	0	116.1	Q88 Q145 T146 H147	Q88-K149 PolarHBondContact NE2-O 3.4Å; Q145-K149 HydrophobicContact CG-CB 4.5Å; Q145-K149 PolarHBondContact NE2-O 3.37Å; T146-K149 WeakPolarHBondContact O-CA 3.4Å; T146-K149 PolarHBondContact O-N 2.93Å; H147-K149 PolarHBondContact O-N 2.82Å
150	Q	80.1	Confident	85.6	Confident	111 Å²	111	30.6 Å²	30.6	52%	0.519	15%	0.147	S	C	.	.	S	Bend	trans	-89.9	-34.2	-177.1	-48	-160.8	-49.7	0	0	112.6	D148	D148-Q150 HydrophobicContact CB-CG 4.12Å; D148-Q150 WeakPolarHBondContact O-CG 3.45Å; D148-Q150 PolarHBondContact O-N 2.89Å; D148-Q150 PolarHBondContact OD1-N 2.96Å
151	N	84.2	Confident	85	Confident	43 Å²	43	31.2 Å²	31.2	23%	0.23	15%	0.151	C	C	.	.			trans	-115.2	165.9	-172.3	-55.5	-76.7	0	0	0	112.6	L86 T146 D148 I178	L86-N151 WeakPolarHBondContact CD1-O 3.41Å; T146-N151 HydrophobicContact CG2-CB 4.14Å; T146-N151 PolarHBondContact N-O 3.17Å; T146-N151 VanDerWaalsContact N-O 3.08Å; T146-N151 WeakPolarHBondContact OG1-CA 3.33Å; T146-N151 VanDerWaalsContact OG1-CB 3.31Å; T146-N151 WeakPolarHBondContact OG1-CB 3.33Å; T146-N151 PolarHBondContact OG1-N 3.07Å; T146-N151 PolarHBondContact OG1-O 2.78Å; D148-N151 PolarHBondContact OD1-N 2.72Å; D148-N151 PolarHBondContact OD2-ND2 2.94Å; N151-I178 HydrophobicContact CB-CG2 3.97Å
152	I	88.1	Confident	84.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	153.2	166	68.5	178.2	0	0	0	109.4	L84 L86 F93 L143 L144 P179 L184	L84-I152 HydrophobicContact CD2-CB 4.2Å; L84-I152 HydrophobicContact CD2-CG2 3.7Å; L86-I152 HydrophobicContact CD1-CG2 3.61Å; F93-I152 HydrophobicContact CD1-CD1 4.15Å; F93-I152 HydrophobicContact CD2-CG2 4.06Å; F93-I152 HydrophobicContact CE1-CD1 4.17Å; F93-I152 HydrophobicContact CE2-CG2 3.95Å; F93-I152 HydrophobicContact CG-CD1 4.5Å; F93-I152 HydrophobicContact CZ-CG2 4.34Å; L143-I152 HydrophobicContact CD1-CB 4.46Å; L143-I152 HydrophobicContact CD1-CD1 4.47Å; L144-I152 CarbonylContact O-C 3.58Å; L144-I152 WeakPolarHBondContact O-CA 3.44Å; I152-P179 HydrophobicContact CD1-CG 3.74Å; I152-P179 HydrophobicContact CG1-CG 3.55Å; I152-L184 HydrophobicContact CD1-CD2 3.54Å
153	W	87	Confident	83.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.1	174.1	-175.8	27.9	0	0	0	108.3	L143 L144 T146 I178 Y198 M211 L217 L234 P235	L143-W153 WeakPolarHBondContact CA-O 3.47Å; L144-W153 PolarHBondContact N-O 3.26Å; L144-W153 PolarHBondContact O-N 2.89Å; T146-W153 HydrophobicContact CG2-CB 4.04Å; W153-I178 HydrophobicContact CB-CG1 4.14Å; W153-I178 HydrophobicContact CG-CG1 4.07Å; W153-Y198 AromaticContact CH2-CD1 3.5Å; W153-Y198 HydrophobicContact CH2-CD1 3.5Å; W153-Y198 VanDerWaalsContact CH2-CD1 3.5Å; W153-Y198 AromaticContact CH2-CE1 3.91Å; W153-Y198 HydrophobicContact CH2-CE1 3.91Å; W153-Y198 HydrophobicContact CH2-CG 4.12Å; W153-Y198 AromaticContact CZ2-CD1 3.76Å; W153-Y198 HydrophobicContact CZ2-CD1 3.76Å; W153-Y198 HydrophobicContact CZ2-CE1 4.18Å; W153-Y198 AromaticContact CZ2-CG 3.95Å; W153-Y198 HydrophobicContact CZ2-CG 3.95Å; W153-M211 HydrophobicContact CE3-CE 3.85Å; W153-M211 HydrophobicContact CZ3-CE 3.81Å; W153-L217 HydrophobicContact CH2-CB 4.45Å; W153-L217 HydrophobicContact CH2-CD2 3.78Å; W153-L217 HydrophobicContact CZ3-CB 4.07Å; W153-L217 HydrophobicContact CZ3-CD1 4.03Å; W153-L217 HydrophobicContact CZ3-CD2 3.75Å; W153-L217 HydrophobicContact CZ3-CG 4.16Å; W153-L234 HydrophobicContact CD2-CD2 3.86Å; W153-L234 HydrophobicContact CE3-CD2 3.53Å; W153-L234 HydrophobicContact CH2-CD2 3.82Å; W153-L234 HydrophobicContact CZ2-CD2 4.16Å; W153-L234 HydrophobicContact CZ3-CD2 3.5Å; W153-L234 VanDerWaalsContact CZ3-CD2 3.5Å; W153-L234 HydrophobicContact CZ3-CG 4.27Å; W153-P235 HydrophobicContact CZ2-CG 4.31Å
154	Y	89.3	Confident	81.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	159.9	173.8	65.5	-121.6	0	0	0	111.5	I101 F115 F140 L142 Y156 C176 E177 P179	I101-Y154 HydrophobicContact CD1-CD1 3.55Å; I101-Y154 HydrophobicContact CD1-CE1 4.14Å; I101-Y154 HydrophobicContact CD1-CG 4.08Å; F115-Y154 HydrophobicContact CD1-CE1 4.47Å; F115-Y154 HydrophobicContact CE1-CE1 4.47Å; F115-Y154 AromaticContact CE1-CZ 3.98Å; F115-Y154 WeakPolarHBondContact CE1-OH 3.43Å; F140-Y154 HydrophobicContact CD1-CD2 4.05Å; F140-Y154 HydrophobicContact CD1-CG 4.14Å; F140-Y154 HydrophobicContact CE1-CD1 4.21Å; F140-Y154 AromaticContact CE1-CD2 3.65Å; F140-Y154 HydrophobicContact CE1-CD2 3.65Å; F140-Y154 HydrophobicContact CE1-CE1 4.42Å; F140-Y154 AromaticContact CE1-CE2 3.92Å; F140-Y154 HydrophobicContact CE1-CE2 3.92Å; F140-Y154 AromaticContact CE1-CG 3.85Å; F140-Y154 HydrophobicContact CE1-CG 3.85Å; L142-Y154 VanDerWaalsContact O-CA 3.23Å; L142-Y154 WeakPolarHBondContact O-CA 3.44Å; L142-Y154 WeakPolarHBondContact O-CB 2.88Å; Y154-Y156 HydrophobicContact CD2-CD1 4.17Å; Y154-Y156 AromaticContact CE2-CD1 3.92Å; Y154-Y156 HydrophobicContact CE2-CD1 3.92Å; Y154-Y156 HydrophobicContact CE2-CE1 4.07Å; Y154-C176 WeakPolarHBondContact O-CA 3.42Å; Y154-E177 HydrophobicContact CD2-CB 4.25Å; Y154-E177 HydrophobicContact CE2-CB 3.62Å; Y154-E177 HydrophobicContact CE2-CG 3.98Å; Y154-E177 VanDerWaalsContact CE2-OE2 3.23Å; Y154-E177 WeakPolarHBondContact CE2-OE2 3.22Å; Y154-E177 PolarHBondContact N-O 2.67Å; Y154-E177 PolarHBondContact O-N 2.03Å; Y154-E177 PolarHBondContact OH-OE2 3.29Å; Y154-P179 HydrophobicContact CD1-CG 3.88Å; Y154-P179 HydrophobicContact CE1-CB 3.81Å; Y154-P179 HydrophobicContact CE1-CG 3.53Å
155	C	89.5	Confident	80.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.5	164.9	-54.3	0	0	0	0	110	F140 N141 L142 R175 C176 N195	F140-C155 CarbonylContact C-O 3.44Å; F140-C155 VanDerWaalsContact CA-O 3.29Å; F140-C155 WeakPolarHBondContact CA-O 3.08Å; N141-C155 PolarHBondContact N-O 3.21Å; N141-C155 WeakPolarHBondContact OD1-CB 3.48Å; N141-C155 PolarHBondContact OD1-O 3.34Å; L142-C155 HydrophobicContact CB-CB 3.68Å; L142-C155 HydrophobicContact CD2-CB 4.48Å; L142-C155 VanDerWaalsContact CD2-SG 3.52Å; L142-C155 PolarHBondContact N-O 3.09Å; L142-C155 PolarHBondContact O-N 3.49Å; C155-R175 CarbonylContact C-O 3.59Å; C155-R175 WeakPolarHBondContact CA-O 3.28Å; C155-R175 WeakPolarHBondContact CB-O 3.28Å; C155-C176 HydrophobicContact CB-CB 4.04Å; C155-C176 WeakPolarHBondContact CB-SG 3.48Å; C155-C176 WeakPolarHBondContact SG-CB 3.02Å; C155-C176 CovalentContact SG-SG 2.04Å; C155-C176 PolarHBondContact SG-SG 2.8Å; C155-N195 WeakPolarHBondContact CB-ND2 3.48Å
156	Y	88	Confident	79.4	Confident	24 Å²	24	49.9 Å²	49.9	9%	0.094	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	162.2	175.9	63.2	-100.2	0	0	0	112.4	L117 G139 F140 N141 Y154 Y158 A174 R175 E177	L117-Y156 HydrophobicContact CD1-CG 4.04Å; L117-Y156 HydrophobicContact CD2-CD1 3.56Å; L117-Y156 HydrophobicContact CD2-CD2 4.18Å; L117-Y156 HydrophobicContact CD2-CE1 3.9Å; L117-Y156 HydrophobicContact CD2-CE2 4.5Å; L117-Y156 HydrophobicContact CD2-CG 3.7Å; G139-Y156 VanDerWaalsContact O-CA 3.27Å; G139-Y156 WeakPolarHBondContact O-CA 3.41Å; F140-Y156 HydrophobicContact CE1-CD1 4.28Å; N141-Y156 PolarHBondContact OD1-N 3.27Å; Y154-Y156 HydrophobicContact CD2-CD1 4.17Å; Y154-Y156 AromaticContact CE2-CD1 3.92Å; Y154-Y156 HydrophobicContact CE2-CD1 3.92Å; Y154-Y156 HydrophobicContact CE2-CE1 4.07Å; Y156-Y158 HydrophobicContact CD2-CE2 4.11Å; Y156-Y158 AromaticContact CE2-CE2 3.93Å; Y156-Y158 HydrophobicContact CE2-CE2 3.93Å; Y156-A174 CarbonylContact O-C 3.49Å; Y156-A174 WeakPolarHBondContact O-CA 2.93Å; Y156-R175 HydrophobicContact CE1-CB 3.92Å; Y156-R175 HydrophobicContact CE2-CB 3.91Å; Y156-R175 HydrophobicContact CE2-CG 4.09Å; Y156-R175 PolarHBondContact N-O 3.06Å; Y156-R175 PolarHBondContact O-N 2.94Å; Y156-E177 HydrophobicContact CE1-CG 4.34Å; Y156-E177 PolarHBondContact OH-OE1 2.78Å
157	L	86.2	Confident	78.6	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.9	178.8	171.3	62.2	0	0	0	108.9	G139 P169 A174 L201 I203	G139-L157 PolarHBondContact N-O 2.92Å; G139-L157 PolarHBondContact O-N 2.72Å; L157-P169 HydrophobicContact CD1-CB 4.22Å; L157-P169 HydrophobicContact CD2-CB 3.99Å; L157-A174 HydrophobicContact CB-CB 4.4Å; L157-A174 HydrophobicContact CD1-CB 3.63Å; L157-L201 WeakPolarHBondContact CD2-O 3.31Å; L157-I203 HydrophobicContact CB-CD1 4.36Å; L157-I203 HydrophobicContact CB-CG1 4.4Å; L157-I203 HydrophobicContact CD2-CG1 3.96Å; L157-I203 HydrophobicContact CG-CD1 4.38Å; L157-I203 HydrophobicContact CG-CG1 4.33Å
158	Y	83.5	Confident	77.9	Confident	8 Å²	8	51.5 Å²	51.5	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.1	162.4	-66.1	-99.4	0	0	0	109	P118 P121 T137 P138 Y156 N170 S173	P118-Y158 WeakPolarHBondContact CG-OH 3.29Å; P118-Y158 VanDerWaalsContact O-CE1 3.24Å; P118-Y158 WeakPolarHBondContact O-CE1 3.48Å; P118-Y158 PolarHBondContact O-OH 3.44Å; P121-Y158 HydrophobicContact CB-CD1 4.34Å; P121-Y158 HydrophobicContact CB-CD2 4.06Å; P121-Y158 HydrophobicContact CB-CE1 4.31Å; P121-Y158 HydrophobicContact CB-CE2 4.05Å; P121-Y158 HydrophobicContact CB-CG 4.21Å; P121-Y158 HydrophobicContact CG-CD1 4.01Å; P121-Y158 HydrophobicContact CG-CD2 4.37Å; P121-Y158 HydrophobicContact CG-CE1 4.34Å; P121-Y158 HydrophobicContact CG-CG 4.02Å; T137-Y158 WeakPolarHBondContact O-CA 3.43Å; P138-Y158 HydrophobicContact CB-CD1 3.88Å; P138-Y158 HydrophobicContact CB-CE1 3.67Å; P138-Y158 HydrophobicContact CG-CE1 4.36Å; Y156-Y158 HydrophobicContact CD2-CE2 4.11Å; Y156-Y158 AromaticContact CE2-CE2 3.93Å; Y156-Y158 HydrophobicContact CE2-CE2 3.93Å; Y158-N170 WeakPolarHBondContact O-CA 3.48Å; Y158-N170 VanDerWaalsContact O-CB 3.25Å; Y158-N170 WeakPolarHBondContact O-CB 3.26Å; Y158-N170 PolarHBondContact O-N 2.71Å; Y158-S173 WeakPolarHBondContact CB-OG 3.43Å; Y158-S173 WeakPolarHBondContact CD2-OG 3.18Å
159	Q	79.4	Confident	77.4	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.8	-178.1	-173.4	142.5	-50.1	0	0	109.8	E136 T137 V167 D202 I203	E136-Q159 WeakPolarHBondContact CA-O 3.24Å; T137-Q159 PolarHBondContact N-O 2.74Å; T137-Q159 PolarHBondContact O-N 2.97Å; T137-Q159 PolarHBondContact OG1-O 3.17Å; Q159-V167 HydrophobicContact CG-CG1 3.8Å; Q159-D202 PolarHBondContact NE2-OD1 2.85Å; Q159-D202 PolarHBondContact OE1-OD1 2.94Å; Q159-I203 HydrophobicContact CB-CD1 3.75Å; Q159-I203 HydrophobicContact CB-CG1 4.29Å
160	T	78.5	Confident	76.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.3	-178.4	-52.7	0	0	0	0	109.4	F125 C134 I135 E136 Y162 I168	F125-T160 HydrophobicContact CB-CG2 4.2Å; C134-T160 WeakPolarHBondContact SG-CG2 3.08Å; I135-T160 CarbonylContact O-C 3.59Å; E136-T160 HydrophobicContact CG-CG2 4.17Å; E136-T160 WeakPolarHBondContact CG-OG1 3.18Å; T160-Y162 HydrophobicContact CG2-CD2 3.99Å; T160-Y162 HydrophobicContact CG2-CE2 3.38Å; T160-I168 WeakPolarHBondContact CA-O 3.3Å; T160-I168 WeakPolarHBondContact CB-O 3.36Å; T160-I168 PolarHBondContact N-O 3.01Å; T160-I168 PolarHBondContact O-N 3.42Å
161	V	75.4	Confident	76.4	Confident	27 Å²	27	40 Å²	40	16%	0.164	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.3	178.7	-173	0	0	0	0	109.4	C134 I135 V167	C134-V161 WeakPolarHBondContact CA-O 2.91Å; I135-V161 PolarHBondContact N-O 3.29Å; I135-V161 PolarHBondContact O-N 2.76Å; V161-V167 HydrophobicContact CG2-CG2 4.45Å
162	Y	70.9	Confident	75.5	Confident	31 Å²	31	44.2 Å²	44.2	12%	0.122	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.5	173.8	-68.4	-84.6	0	0	0	110.7	C134 T160 N164 H165 N166 I168	C134-Y162 HydrophobicContact CB-CD1 3.98Å; C134-Y162 HydrophobicContact CB-CE1 3.85Å; C134-Y162 WeakPolarHBondContact SG-CE1 3.36Å; C134-Y162 VanDerWaalsContact SG-CZ 3.59Å; T160-Y162 HydrophobicContact CG2-CD2 3.99Å; T160-Y162 HydrophobicContact CG2-CE2 3.38Å; Y162-N164 PolarHBondContact O-N 2.96Å; Y162-N164 VanDerWaalsContact O-N 3.14Å; Y162-H165 PolarHBondContact O-N 3.43Å; Y162-N166 PolarHBondContact N-O 2.91Å; Y162-N166 PolarHBondContact O-N 3.22Å; Y162-I168 HydrophobicContact CD2-CD1 4Å; Y162-I168 HydrophobicContact CD2-CG1 4.35Å; Y162-I168 HydrophobicContact CE2-CD1 3.9Å; Y162-I168 HydrophobicContact CE2-CG1 4.45Å
163	M	64.2	Low	74.7	Confident	111 Å²	111	44.6 Å²	44.6	55%	0.547	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	37.9	177.5	-58.1	-176.5	177.7	0	0	114	T132 P133 H165	T132-M163 HydrophobicContact CG2-CE 3.68Å; P133-M163 HydrophobicContact CG-CG 4.42Å; P133-M163 PolarHBondContact O-N 2.94Å; P133-M163 VanDerWaalsContact O-N 3.17Å; M163-H165 PolarHBondContact O-CD2 3.4Å; M163-H165 VanDerWaalsContact O-CD2 3.26Å; M163-H165 PolarHBondContact O-N 3.31Å
164	N	61.5	Low	74.2	Confident	118 Å²	118	44.6 Å²	44.6	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	10.3	-179.1	-62.1	-0.5	0	0	0	116.5	Y162	Y162-N164 PolarHBondContact O-N 2.96Å; Y162-N164 VanDerWaalsContact O-N 3.14Å
165	H	60.7	Low	73.9	Confident	159 Å²	159	47.5 Å²	47.5	74%	0.736	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-43.2	-174.3	-60.2	-40.1	0	0	0	113.4	Y162 M163 V167	Y162-H165 PolarHBondContact O-N 3.43Å; M163-H165 PolarHBondContact O-CD2 3.4Å; M163-H165 VanDerWaalsContact O-CD2 3.26Å; M163-H165 PolarHBondContact O-N 3.31Å; H165-V167 PolarHBondContact O-N 3.45Å
166	N	65.9	Low	73.8	Confident	113 Å²	113	47.5 Å²	47.5	60%	0.604	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	96	-175.8	-76.4	-13.5	0	0	0	110.4	Y162	Y162-N166 PolarHBondContact N-O 2.91Å; Y162-N166 PolarHBondContact O-N 3.22Å
167	V	69	Low	73.6	Confident	50 Å²	50	46.6 Å²	46.6	30%	0.303	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.6	171.4	168.5	0	0	0	0	110.3	Q159 V161 H165	Q159-V167 HydrophobicContact CG-CG1 3.8Å; V161-V167 HydrophobicContact CG2-CG2 4.45Å; H165-V167 PolarHBondContact O-N 3.45Å
168	I	71.7	Confident	73.6	Confident	81 Å²	81	47.3 Å²	47.3	42%	0.415	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	110.2	170.3	-58.3	-174.2	0	0	0	108	T160 Y162	T160-I168 WeakPolarHBondContact CA-O 3.3Å; T160-I168 WeakPolarHBondContact CB-O 3.36Å; T160-I168 PolarHBondContact N-O 3.01Å; T160-I168 PolarHBondContact O-N 3.42Å; Y162-I168 HydrophobicContact CD2-CD1 4Å; Y162-I168 HydrophobicContact CD2-CG1 4.35Å; Y162-I168 HydrophobicContact CE2-CD1 3.9Å; Y162-I168 HydrophobicContact CE2-CG1 4.45Å
169	P	69.6	Low	73.7	Confident	21 Å²	21	46.9 Å²	46.9	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132	177.5	28.9	-33.1	0	0	0	111.2	L157 V171 L201 W222	L157-P169 HydrophobicContact CD1-CB 4.22Å; L157-P169 HydrophobicContact CD2-CB 3.99Å; P169-V171 HydrophobicContact CG-CG2 4.38Å; P169-V171 PolarHBondContact O-N 2.98Å; P169-L201 WeakPolarHBondContact CB-O 3.31Å; P169-L201 WeakPolarHBondContact CG-O 3.22Å; P169-W222 HydrophobicContact CG-CH2 4.41Å; P169-W222 HydrophobicContact CG-CZ3 3.88Å
170	N	72	Confident	73.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.			trans	-80.9	72	176.2	-173.8	-14.8	0	0	0	109.8	T123 F125 Y158 Q172 S173 A174	T123-N170 PolarHBondContact O-ND2 3.28Å; F125-N170 HydrophobicContact CD2-CB 3.89Å; F125-N170 HydrophobicContact CE2-CB 3.94Å; F125-N170 VanDerWaalsContact CE2-CG 3.47Å; F125-N170 WeakPolarHBondContact CE2-OD1 3.37Å; Y158-N170 WeakPolarHBondContact O-CA 3.48Å; Y158-N170 VanDerWaalsContact O-CB 3.25Å; Y158-N170 WeakPolarHBondContact O-CB 3.26Å; Y158-N170 PolarHBondContact O-N 2.71Å; N170-Q172 PolarHBondContact O-N 3.13Å; N170-Q172 VanDerWaalsContact O-N 3.13Å; N170-S173 WeakPolarHBondContact CB-OG 3.4Å; N170-S173 PolarHBondContact O-N 3.41Å; N170-S173 PolarHBondContact O-OG 3.4Å; N170-S173 WeakPolarHBondContact OD1-CB 3.35Å; N170-S173 PolarHBondContact OD1-N 3.37Å; N170-S173 VanDerWaalsContact OD1-N 3.16Å; N170-S173 PolarHBondContact OD1-OG 3.18Å; N170-A174 PolarHBondContact O-N 2.72Å
171	V	69.6	Low	74	Confident	52 Å²	52	48.3 Å²	48.3	32%	0.315	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-53.2	-34.4	-179.3	-175.5	0	0	0	0	112	P169 S173 A174 L201	P169-V171 HydrophobicContact CG-CG2 4.38Å; P169-V171 PolarHBondContact O-N 2.98Å; V171-S173 PolarHBondContact O-N 3.25Å; V171-A174 WeakPolarHBondContact O-CB 3.29Å; V171-A174 PolarHBondContact O-N 3.41Å; V171-A174 VanDerWaalsContact O-N 3.16Å; V171-L201 HydrophobicContact CB-CD2 4.47Å; V171-L201 HydrophobicContact CG1-CD1 4.02Å; V171-L201 HydrophobicContact CG1-CD2 3.96Å; V171-L201 HydrophobicContact CG2-CD1 4.22Å; V171-L201 HydrophobicContact CG2-CD2 4.18Å
172	Q	65.8	Low	74.4	Confident	132 Å²	132	51 Å²	51	62%	0.617	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.9	177.5	-67.7	-176	-18.9	0	0	113.6	N170 R175	N170-Q172 PolarHBondContact O-N 3.13Å; N170-Q172 VanDerWaalsContact O-N 3.13Å; Q172-R175 VanDerWaalsContact O-CZ 3.31Å; Q172-R175 PolarHBondContact O-NH1 3.33Å; Q172-R175 PolarHBondContact O-NH2 3.26Å
173	S	70.4	Confident	74.9	Confident	8 Å²	8	54 Å²	54	6%	0.056	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-93	-8.8	175.4	73	0	0	0	0	114.4	Y158 N170 V171	Y158-S173 WeakPolarHBondContact CB-OG 3.43Å; Y158-S173 WeakPolarHBondContact CD2-OG 3.18Å; N170-S173 WeakPolarHBondContact CB-OG 3.4Å; N170-S173 PolarHBondContact O-N 3.41Å; N170-S173 PolarHBondContact O-OG 3.4Å; N170-S173 WeakPolarHBondContact OD1-CB 3.35Å; N170-S173 PolarHBondContact OD1-N 3.37Å; N170-S173 VanDerWaalsContact OD1-N 3.16Å; N170-S173 PolarHBondContact OD1-OG 3.18Å; V171-S173 PolarHBondContact O-N 3.25Å
174	A	77.7	Confident	75.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.			trans	-74	126.8	-173.2	0	0	0	0	0	111.3	Y156 L157 N170 V171 N195 L201	Y156-A174 CarbonylContact O-C 3.49Å; Y156-A174 WeakPolarHBondContact O-CA 2.93Å; L157-A174 HydrophobicContact CB-CB 4.4Å; L157-A174 HydrophobicContact CD1-CB 3.63Å; N170-A174 PolarHBondContact O-N 2.72Å; V171-A174 WeakPolarHBondContact O-CB 3.29Å; V171-A174 PolarHBondContact O-N 3.41Å; V171-A174 VanDerWaalsContact O-N 3.16Å; A174-N195 HydrophobicContact CB-CB 3.79Å; A174-N195 PolarHBondContact O-N 3.04Å; A174-N195 VanDerWaalsContact O-N 3.16Å; A174-L201 HydrophobicContact CB-CD2 4.32Å
175	R	83.3	Confident	76.2	Confident	60 Å²	60	49 Å²	49	23%	0.226	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.5	-174.5	-62.1	-63.9	174.9	-89.3	-4.9	112.6	C155 Y156 Q172 W193	C155-R175 CarbonylContact C-O 3.59Å; C155-R175 WeakPolarHBondContact CA-O 3.28Å; C155-R175 WeakPolarHBondContact CB-O 3.28Å; Y156-R175 HydrophobicContact CE1-CB 3.92Å; Y156-R175 HydrophobicContact CE2-CB 3.91Å; Y156-R175 HydrophobicContact CE2-CG 4.09Å; Y156-R175 PolarHBondContact N-O 3.06Å; Y156-R175 PolarHBondContact O-N 2.94Å; Q172-R175 VanDerWaalsContact O-CZ 3.31Å; Q172-R175 PolarHBondContact O-NH1 3.33Å; Q172-R175 PolarHBondContact O-NH2 3.26Å; R175-W193 CarbonylContact C-O 3.53Å; R175-W193 VanDerWaalsContact CA-O 3.28Å; R175-W193 WeakPolarHBondContact CA-O 3.2Å
176	C	86.7	Confident	76.4	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.1	165.7	-65.5	0	0	0	0	109	Y154 C155 W193 N195 Y198	Y154-C176 WeakPolarHBondContact O-CA 3.42Å; C155-C176 HydrophobicContact CB-CB 4.04Å; C155-C176 WeakPolarHBondContact CB-SG 3.48Å; C155-C176 WeakPolarHBondContact SG-CB 3.02Å; C155-C176 CovalentContact SG-SG 2.04Å; C155-C176 PolarHBondContact SG-SG 2.8Å; C176-W193 PolarHBondContact N-O 2.98Å; C176-W193 PolarHBondContact O-N 3.3Å; C176-N195 PolarHBondContact SG-OD1 3.38Å; C176-N195 VanDerWaalsContact SG-OD1 3.37Å; C176-Y198 VanDerWaalsContact SG-CB 3.56Å
177	E	84.4	Confident	76.1	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139.4	-172.7	-51	-179	160.1	0	0	110	Y154 Y156 P179 Q192	Y154-E177 HydrophobicContact CD2-CB 4.25Å; Y154-E177 HydrophobicContact CE2-CB 3.62Å; Y154-E177 HydrophobicContact CE2-CG 3.98Å; Y154-E177 VanDerWaalsContact CE2-OE2 3.23Å; Y154-E177 WeakPolarHBondContact CE2-OE2 3.22Å; Y154-E177 PolarHBondContact N-O 2.67Å; Y154-E177 PolarHBondContact O-N 2.03Å; Y154-E177 PolarHBondContact OH-OE2 3.29Å; Y156-E177 HydrophobicContact CE1-CG 4.34Å; Y156-E177 PolarHBondContact OH-OE1 2.78Å; E177-P179 WeakPolarHBondContact O-CD 2.99Å; E177-Q192 HydrophobicContact CG-CG 4.2Å; E177-Q192 WeakPolarHBondContact OE1-CG 3.26Å; E177-Q192 PolarHBondContact OE1-NE2 3.07Å
178	I	84.9	Confident	75.2	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.072	25%	0.251	C	S	.	.			trans	-95.7	109.9	163	-66.7	171.4	0	0	0	105	T146 N151 W153 L190 W193	T146-I178 HydrophobicContact CG2-CD1 4.03Å; T146-I178 HydrophobicContact CG2-CG1 4.38Å; N151-I178 HydrophobicContact CB-CG2 3.97Å; W153-I178 HydrophobicContact CB-CG1 4.14Å; W153-I178 HydrophobicContact CG-CG1 4.07Å; I178-L190 HydrophobicContact CG2-CD1 4.43Å; I178-L190 HydrophobicContact CG2-CD2 4.44Å; I178-L190 WeakPolarHBondContact O-CB 3.38Å; I178-L190 WeakPolarHBondContact O-CD1 3.19Å; I178-W193 HydrophobicContact CD1-CH2 4.07Å; I178-W193 HydrophobicContact CD1-CZ3 4.23Å; I178-W193 HydrophobicContact CG1-CH2 4.39Å; I178-W193 HydrophobicContact CG1-CZ3 4.12Å
179	P	86.3	Confident	74.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.			trans	-82.1	174.7	175.2	36.7	-39.9	0	0	0	111.3	I152 Y154 E177 P181 L184	I152-P179 HydrophobicContact CD1-CG 3.74Å; I152-P179 HydrophobicContact CG1-CG 3.55Å; Y154-P179 HydrophobicContact CD1-CG 3.88Å; Y154-P179 HydrophobicContact CE1-CB 3.81Å; Y154-P179 HydrophobicContact CE1-CG 3.53Å; E177-P179 WeakPolarHBondContact O-CD 2.99Å; P179-P181 WeakPolarHBondContact O-CD 3.4Å; P179-L184 WeakPolarHBondContact CB-O 3.31Å
180	S	82.1	Confident	73.5	Confident	16 Å²	16	54 Å²	54	11%	0.112	27%	0.274	C	S	.	.			trans	-67.1	118.3	161.9	-153.4	0	0	0	0	108.9	L182 N183 L184 E185 E187	S180-L182 PolarHBondContact O-N 2.8Å; S180-L182 VanDerWaalsContact O-N 3.11Å; S180-N183 PolarHBondContact O-N 3.34Å; S180-L184 WeakPolarHBondContact O-CA 3.48Å; S180-L184 PolarHBondContact O-N 3.42Å; S180-E185 PolarHBondContact N-O 2.78Å; S180-E187 WeakPolarHBondContact CB-OE1 3.33Å; S180-E187 PolarHBondContact OG-OE1 3.34Å
181	P	81.4	Confident	72.8	Confident	15 Å²	15	55.3 Å²	55.3	10%	0.097	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.7	-176.1	29.9	-36.4	0	0	0	112.7	L89 F93 P179	L89-P181 HydrophobicContact CD1-CB 3.7Å; L89-P181 HydrophobicContact CD1-CG 3.92Å; F93-P181 WeakPolarHBondContact CE1-O 3.22Å; F93-P181 HydrophobicContact CZ-CB 4.44Å; F93-P181 VanDerWaalsContact CZ-O 3.31Å; F93-P181 WeakPolarHBondContact CZ-O 3.1Å; P179-P181 WeakPolarHBondContact O-CD 3.4Å
182	L	84.2	Confident	72.2	Confident	84 Å²	84	58.1 Å²	58.1	44%	0.44	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-49.4	173.4	-69.1	174.8	0	0	0	112.7	L89 R103 S180	L89-L182 HydrophobicContact CD1-CD2 4.48Å; L89-L182 HydrophobicContact CD2-CD2 4.08Å; R103-L182 PolarHBondContact NH1-O 2.85Å; S180-L182 PolarHBondContact O-N 2.8Å; S180-L182 VanDerWaalsContact O-N 3.11Å
183	N	81.2	Confident	72.4	Confident	94 Å²	94	52.1 Å²	52.1	50%	0.503	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-12.7	-169.6	-67	5.3	0	0	0	113.9	S180 E185	S180-N183 PolarHBondContact O-N 3.34Å; N183-E185 HydrophobicContact CB-CG 4.46Å; N183-E185 PolarHBondContact O-N 2.94Å
184	L	82.7	Confident	72.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.			trans	61.9	-12.3	-169.7	-64	173.6	0	0	0	116.5	F93 I101 R103 A113 F115 I152 P179 S180	F93-L184 HydrophobicContact CD1-CD2 3.76Å; F93-L184 HydrophobicContact CE1-CD2 3.73Å; F93-L184 HydrophobicContact CE1-CG 4.4Å; I101-L184 HydrophobicContact CB-CD1 4.24Å; I101-L184 HydrophobicContact CG2-CD1 3.73Å; I101-L184 HydrophobicContact CG2-CD2 3.94Å; I101-L184 HydrophobicContact CG2-CG 4.49Å; R103-L184 HydrophobicContact CB-CD1 4.02Å; R103-L184 HydrophobicContact CB-CG 4.49Å; A113-L184 HydrophobicContact CB-CD1 4.39Å; F115-L184 HydrophobicContact CB-CB 3.66Å; F115-L184 HydrophobicContact CB-CD1 4.47Å; I152-L184 HydrophobicContact CD1-CD2 3.54Å; P179-L184 WeakPolarHBondContact CB-O 3.31Å; S180-L184 WeakPolarHBondContact O-CA 3.48Å; S180-L184 PolarHBondContact O-N 3.42Å
185	E	70.7	Confident	72.7	Confident	125 Å²	125	58.2 Å²	58.2	58%	0.584	29%	0.291	S	S	*	.	S	Bend	trans	-60.4	138.9	170.3	-63.1	-177	143.8	0	0	111.4	S180 N183 E187	S180-E185 PolarHBondContact N-O 2.78Å; N183-E185 HydrophobicContact CB-CG 4.46Å; N183-E185 PolarHBondContact O-N 2.94Å; E185-E187 PolarHBondContact O-N 3.01Å; E185-E187 VanDerWaalsContact O-N 3.15Å
186	P	64.4	Low	72.5	Confident	54 Å²	54	56.3 Å²	56.3	35%	0.351	29%	0.287	S	S	.	.			trans	-68.8	109.1	167.8	27.8	-32.4	0	0	0	109	F115 S188	F115-P186 HydrophobicContact CZ-CG 4.41Å; P186-S188 PolarHBondContact O-N 3.17Å
187	E	59.7	Low	72.3	Confident	80 Å²	80	56.7 Å²	56.7	37%	0.374	29%	0.29	S	S	.	.			trans	-60.1	137.4	175.4	-57.7	-168	-175.5	0	0	109.7	S180 E185 R189 L190	S180-E187 WeakPolarHBondContact CB-OE1 3.33Å; S180-E187 PolarHBondContact OG-OE1 3.34Å; E185-E187 PolarHBondContact O-N 3.01Å; E185-E187 VanDerWaalsContact O-N 3.15Å; E187-R189 PolarHBondContact O-N 3.47Å; E187-L190 HydrophobicContact CB-CB 4.49Å; E187-L190 HydrophobicContact CB-CD1 3.83Å; E187-L190 HydrophobicContact CB-CG 4.12Å; E187-L190 HydrophobicContact CG-CD1 3.86Å; E187-L190 PolarHBondContact O-N 3.3Å
188	S	50.9	Low	72.4	Confident	136 Å²	136	56.6 Å²	56.6	95%	0.951	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-1.4	179.1	58.1	0	0	0	0	115.4	P186	P186-S188 PolarHBondContact O-N 3.17Å
189	R	49.2	Very low	72.6	Confident	212 Å²	212	56 Å²	56	80%	0.8	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-24.3	172.6	-66	175.2	173.6	168	-3.2	113.5	E187	E187-R189 PolarHBondContact O-N 3.47Å
190	L	55.2	Low	72.8	Confident	45 Å²	45	56.2 Å²	56.2	24%	0.236	29%	0.288	C	S	.	.	S	Bend	trans	-87.2	130.7	-175.5	-66.7	165.6	0	0	0	108.9	I178 E187	I178-L190 HydrophobicContact CG2-CD1 4.43Å; I178-L190 HydrophobicContact CG2-CD2 4.44Å; I178-L190 WeakPolarHBondContact O-CB 3.38Å; I178-L190 WeakPolarHBondContact O-CD1 3.19Å; E187-L190 HydrophobicContact CB-CB 4.49Å; E187-L190 HydrophobicContact CB-CD1 3.83Å; E187-L190 HydrophobicContact CB-CG 4.12Å; E187-L190 HydrophobicContact CG-CD1 3.86Å; E187-L190 PolarHBondContact O-N 3.3Å
191	V	57.9	Low	73	Confident	28 Å²	28	55.5 Å²	55.5	17%	0.17	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-82.7	134.7	-163.1	172.2	0	0	0	0	110.6	W193 G239	V191-W193 HydrophobicContact CB-CD2 4.41Å; V191-W193 HydrophobicContact CB-CH2 4.3Å; V191-W193 HydrophobicContact CB-CZ2 3.61Å; V191-W193 HydrophobicContact CG1-CD2 4.13Å; V191-W193 HydrophobicContact CG1-CG 4.27Å; V191-W193 HydrophobicContact CG1-CZ2 4.02Å; V191-W193 WeakPolarHBondContact O-CZ3 3.03Å; V191-G239 VanDerWaalsContact CG1-CA 3.46Å
192	Q	57.7	Low	73.1	Confident	112 Å²	112	55.6 Å²	55.6	52%	0.523	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-81.2	128.6	167.5	-62.2	-173.2	-41.6	0	0	110.2	E177	E177-Q192 HydrophobicContact CG-CG 4.2Å; E177-Q192 WeakPolarHBondContact OE1-CG 3.26Å; E177-Q192 PolarHBondContact OE1-NE2 3.07Å
193	W	69.8	Low	73	Confident	6 Å²	6	52.5 Å²	52.5	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	153.4	175.7	-54.5	-79.7	0	0	0	111.8	R175 C176 I178 V191 N195 P235 N236	R175-W193 CarbonylContact C-O 3.53Å; R175-W193 VanDerWaalsContact CA-O 3.28Å; R175-W193 WeakPolarHBondContact CA-O 3.2Å; C176-W193 PolarHBondContact N-O 2.98Å; C176-W193 PolarHBondContact O-N 3.3Å; I178-W193 HydrophobicContact CD1-CH2 4.07Å; I178-W193 HydrophobicContact CD1-CZ3 4.23Å; I178-W193 HydrophobicContact CG1-CH2 4.39Å; I178-W193 HydrophobicContact CG1-CZ3 4.12Å; V191-W193 HydrophobicContact CB-CD2 4.41Å; V191-W193 HydrophobicContact CB-CH2 4.3Å; V191-W193 HydrophobicContact CB-CZ2 3.61Å; V191-W193 HydrophobicContact CG1-CD2 4.13Å; V191-W193 HydrophobicContact CG1-CG 4.27Å; V191-W193 HydrophobicContact CG1-CZ2 4.02Å; V191-W193 WeakPolarHBondContact O-CZ3 3.03Å; W193-N195 PolarHBondContact O-N 2.85Å; W193-P235 HydrophobicContact CB-CG 4.28Å; W193-P235 VanDerWaalsContact CD1-CB 3.45Å; W193-P235 HydrophobicContact CD2-CB 3.58Å; W193-P235 HydrophobicContact CD2-CG 3.51Å; W193-P235 HydrophobicContact CE3-CB 4.32Å; W193-P235 HydrophobicContact CE3-CG 3.87Å; W193-P235 HydrophobicContact CG-CB 3.69Å; W193-P235 HydrophobicContact CG-CG 3.69Å; W193-P235 HydrophobicContact CZ2-CB 3.77Å; W193-P235 HydrophobicContact CZ2-CG 4.26Å; W193-P235 HydrophobicContact CZ3-CG 4.39Å; W193-N236 PolarHBondContact NE1-O 3.36Å; W193-N236 VanDerWaalsContact NE1-O 3.09Å
194	E	74.9	Confident	73	Confident	133 Å²	133	52.6 Å²	52.6	62%	0.621	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.4	174.7	-66.2	-175.1	165.5	0	0	110.8	S196	E194-S196 PolarHBondContact O-N 2.89Å
195	N	79.1	Confident	73	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.011	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	46.8	179.7	-170.2	13	0	0	0	112.7	N141 C155 A174 C176 W193 S199 L201	N141-N195 PolarHBondContact ND2-ND2 3Å; N141-N195 VanDerWaalsContact ND2-ND2 3.12Å; N141-N195 PolarHBondContact OD1-ND2 2.85Å; C155-N195 WeakPolarHBondContact CB-ND2 3.48Å; A174-N195 HydrophobicContact CB-CB 3.79Å; A174-N195 PolarHBondContact O-N 3.04Å; A174-N195 VanDerWaalsContact O-N 3.16Å; C176-N195 PolarHBondContact SG-OD1 3.38Å; C176-N195 VanDerWaalsContact SG-OD1 3.37Å; W193-N195 PolarHBondContact O-N 2.85Å; N195-S199 PolarHBondContact ND2-OG 2.82Å; N195-S199 PolarHBondContact OD1-N 3.5Å; N195-S199 PolarHBondContact OD1-OG 2.9Å; N195-S199 VanDerWaalsContact OD1-OG 3.12Å; N195-L201 WeakPolarHBondContact O-CD2 3.38Å
196	S	78.2	Confident	73.6	Confident	20 Å²	20	54.4 Å²	54.4	14%	0.14	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-26.1	-176.7	52.1	0	0	0	0	113.7	E194 F223 H224	E194-S196 PolarHBondContact O-N 2.89Å; S196-F223 WeakPolarHBondContact O-CD1 3.43Å; S196-H224 PolarHBondContact O-NE2 2.82Å
197	V	82.5	Confident	74.8	Confident	9 Å²	9	53 Å²	53	6%	0.055	27%	0.274	C	S	.	.	S	Bend	trans	-128.3	-12.4	-176.6	-63.8	0	0	0	0	114.6	S219 F223 H230 W243 F246	V197-S219 PolarHBondContact O-OG 3.23Å; V197-F223 WeakPolarHBondContact O-CZ 3.47Å; V197-H230 PolarHBondContact O-ND1 2.76Å; V197-W243 HydrophobicContact CG1-CH2 4.04Å; V197-W243 HydrophobicContact CG1-CZ3 4.1Å; V197-W243 HydrophobicContact CG2-CH2 4.41Å; V197-F246 HydrophobicContact CB-CE2 3.98Å; V197-F246 HydrophobicContact CB-CZ 4.41Å; V197-F246 HydrophobicContact CG1-CE2 3.92Å; V197-F246 HydrophobicContact CG1-CZ 3.92Å; V197-F246 HydrophobicContact CG2-CE2 4.32Å
198	Y	87.5	Confident	76.3	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.012	27%	0.265	C	S	.	.	S	Bend	trans	-88.5	-34.3	-166.7	-63.5	-62.5	0	0	0	113.8	W153 C176 L217 S219 P235 A241	W153-Y198 AromaticContact CH2-CD1 3.5Å; W153-Y198 HydrophobicContact CH2-CD1 3.5Å; W153-Y198 VanDerWaalsContact CH2-CD1 3.5Å; W153-Y198 AromaticContact CH2-CE1 3.91Å; W153-Y198 HydrophobicContact CH2-CE1 3.91Å; W153-Y198 HydrophobicContact CH2-CG 4.12Å; W153-Y198 AromaticContact CZ2-CD1 3.76Å; W153-Y198 HydrophobicContact CZ2-CD1 3.76Å; W153-Y198 HydrophobicContact CZ2-CE1 4.18Å; W153-Y198 AromaticContact CZ2-CG 3.95Å; W153-Y198 HydrophobicContact CZ2-CG 3.95Å; C176-Y198 VanDerWaalsContact SG-CB 3.56Å; Y198-L217 HydrophobicContact CD1-CD2 3.88Å; Y198-L217 WeakPolarHBondContact O-CD2 3.38Å; Y198-S219 WeakPolarHBondContact O-CB 3.48Å; Y198-P235 HydrophobicContact CE1-CG 4.34Å; Y198-P235 HydrophobicContact CE2-CG 4.09Å; Y198-A241 WeakPolarHBondContact OH-CA 3.35Å; Y198-A241 WeakPolarHBondContact OH-CB 3.48Å
199	S	89.5	Confident	78.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.228	C	C	.	.	S	Bend	trans	-150.8	166.3	170.4	63.3	0	0	0	0	112.7	N141 N195 L201 F223	N141-S199 PolarHBondContact ND2-OG 3.01Å; N141-S199 VanDerWaalsContact ND2-OG 3.16Å; N141-S199 PolarHBondContact OD1-OG 3.39Å; N195-S199 PolarHBondContact ND2-OG 2.82Å; N195-S199 PolarHBondContact OD1-N 3.5Å; N195-S199 PolarHBondContact OD1-OG 2.9Å; N195-S199 VanDerWaalsContact OD1-OG 3.12Å; S199-L201 PolarHBondContact O-N 3.38Å; S199-F223 WeakPolarHBondContact O-CE1 3.21Å
200	S	90.1	Very high	80.4	Confident	5 Å²	5	37.1 Å²	37.1	4%	0.035	20%	0.199	C	C	.	.			trans	-54.3	129.8	-171.6	-167.1	0	0	0	0	113.2	N141 D202 R205 W222	N141-S200 PolarHBondContact ND2-O 2.74Å; S200-D202 PolarHBondContact O-N 3.1Å; S200-D202 PolarHBondContact OG-O 3.29Å; S200-R205 WeakPolarHBondContact CB-O 3.41Å; S200-R205 PolarHBondContact OG-O 2.96Å; S200-W222 PolarHBondContact OG-N 3.11Å
201	L	87	Confident	82.2	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.	S	Bend	trans	-79.2	11.5	176.9	-72.1	175.9	0	0	0	113.5	L157 P169 V171 A174 N195 S199 W222 F223	L157-L201 WeakPolarHBondContact CD2-O 3.31Å; P169-L201 WeakPolarHBondContact CB-O 3.31Å; P169-L201 WeakPolarHBondContact CG-O 3.22Å; V171-L201 HydrophobicContact CB-CD2 4.47Å; V171-L201 HydrophobicContact CG1-CD1 4.02Å; V171-L201 HydrophobicContact CG1-CD2 3.96Å; V171-L201 HydrophobicContact CG2-CD1 4.22Å; V171-L201 HydrophobicContact CG2-CD2 4.18Å; A174-L201 HydrophobicContact CB-CD2 4.32Å; N195-L201 WeakPolarHBondContact O-CD2 3.38Å; S199-L201 PolarHBondContact O-N 3.38Å; L201-W222 HydrophobicContact CB-CE3 3.88Å; L201-W222 HydrophobicContact CB-CZ3 4.07Å; L201-W222 WeakPolarHBondContact CB-O 3.26Å; L201-W222 PolarHBondContact N-O 2.81Å; L201-F223 HydrophobicContact CG-CD1 4.43Å
202	D	83.6	Confident	83.7	Confident	17 Å²	17	35.2 Å²	35.2	9%	0.091	19%	0.188	C	C	.	.			trans	-136.8	120	167.5	174.7	9.9	0	0	0	109.9	Q159 S200 N204 R205 W222	Q159-D202 PolarHBondContact NE2-OD1 2.85Å; Q159-D202 PolarHBondContact OE1-OD1 2.94Å; S200-D202 PolarHBondContact O-N 3.1Å; S200-D202 PolarHBondContact OG-O 3.29Å; D202-N204 PolarHBondContact O-N 3.33Å; D202-N204 WeakPolarHBondContact OD1-CB 3.47Å; D202-N204 PolarHBondContact OD1-N 3.2Å; D202-R205 HydrophobicContact CB-CB 4.12Å; D202-R205 CarbonylContact O-C 3.53Å; D202-R205 PolarHBondContact O-N 3.48Å; D202-R205 VanDerWaalsContact O-N 3.08Å; D202-R205 VanDerWaalsContact OD2-CD 3.29Å; D202-R205 WeakPolarHBondContact OD2-CD 3.22Å; D202-R205 VanDerWaalsContact OD2-CG 3.25Å; D202-R205 WeakPolarHBondContact OD2-CG 3.26Å; D202-R205 IonicContact OD2-NE 3.24Å; D202-W222 HydrophobicContact CB-CB 4.38Å; D202-W222 HydrophobicContact CB-CD2 4.44Å; D202-W222 HydrophobicContact CB-CE3 4.09Å
203	I	81.5	Confident	85.3	Confident	20 Å²	20	33.4 Å²	33.4	10%	0.103	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.4	180	-56.6	179.7	0	0	0	111.7	L157 Q159	L157-I203 HydrophobicContact CB-CD1 4.36Å; L157-I203 HydrophobicContact CB-CG1 4.4Å; L157-I203 HydrophobicContact CD2-CG1 3.96Å; L157-I203 HydrophobicContact CG-CD1 4.38Å; L157-I203 HydrophobicContact CG-CG1 4.33Å; Q159-I203 HydrophobicContact CB-CD1 3.75Å; Q159-I203 HydrophobicContact CB-CG1 4.29Å
204	N	80.9	Confident	86.2	Confident	95 Å²	95	35.6 Å²	35.6	51%	0.508	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.2	177.1	-65.8	-18.6	0	0	0	112.9	D202 P206	D202-N204 PolarHBondContact O-N 3.33Å; D202-N204 WeakPolarHBondContact OD1-CB 3.47Å; D202-N204 PolarHBondContact OD1-N 3.2Å; N204-P206 WeakPolarHBondContact O-CD 3.29Å
205	R	82.5	Confident	86.8	Confident	89 Å²	89	30.3 Å²	30.3	34%	0.336	18%	0.18	S	C	.	.	S	Bend	trans	-121.1	62.9	170.3	-65.3	172.8	178.6	-117	3.9	109.7	S200 D202 W222 E258	S200-R205 WeakPolarHBondContact CB-O 3.41Å; S200-R205 PolarHBondContact OG-O 2.96Å; D202-R205 HydrophobicContact CB-CB 4.12Å; D202-R205 CarbonylContact O-C 3.53Å; D202-R205 PolarHBondContact O-N 3.48Å; D202-R205 VanDerWaalsContact O-N 3.08Å; D202-R205 VanDerWaalsContact OD2-CD 3.29Å; D202-R205 WeakPolarHBondContact OD2-CD 3.22Å; D202-R205 VanDerWaalsContact OD2-CG 3.25Å; D202-R205 WeakPolarHBondContact OD2-CG 3.26Å; D202-R205 IonicContact OD2-NE 3.24Å; R205-W222 HydrophobicContact CB-CB 4.25Å; R205-E258 PolarHBondContact NH1-O 2.99Å
206	P	84.6	Confident	87.5	Confident	74 Å²	74	31 Å²	31	48%	0.481	18%	0.183	S	C	.	.			trans	-59.7	148.7	175.4	28.8	-35.6	0	0	0	110.3	N204	N204-P206 WeakPolarHBondContact O-CD 3.29Å
207	G	88.2	Confident	88.1	Confident	26 Å²	26	30 Å²	30	27%	0.268	18%	0.177	S	C	.	.			trans	-116.2	-171.2	166.2	0	0	0	0	0	110.7	S220	G207-S220 VanDerWaalsContact CA-O 3.3Å; G207-S220 WeakPolarHBondContact CA-O 3.48Å
208	V	92.5	Very high	88.7	Confident	33 Å²	33	29.6 Å²	29.6	20%	0.2	17%	0.174	C	C	.	.			trans	-112.2	143.1	-176.8	-176.8	0	0	0	0	108.9	S220 F262 A265	V208-S220 PolarHBondContact N-OG 2.95Å; V208-S220 PolarHBondContact O-N 2.78Å; V208-S220 PolarHBondContact O-OG 2.94Å; V208-F262 HydrophobicContact CG2-CB 3.93Å; V208-A265 HydrophobicContact CB-CB 4.37Å; V208-A265 HydrophobicContact CG1-CB 3.71Å
209	S	92.7	Very high	89.1	Confident	24 Å²	24	29.5 Å²	29.5	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.5	178.2	-62.3	0	0	0	0	111	L142 Y218	L142-S209 VanDerWaalsContact CD1-CB 3.44Å; S209-Y218 CarbonylContact C-O 3.55Å; S209-Y218 WeakPolarHBondContact CA-O 3.47Å
210	L	92.9	Very high	89.3	Confident	36 Å²	36	29.4 Å²	29.4	19%	0.188	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.5	-178.1	178.1	67.8	0	0	0	108.9	G212 Y218 A265 E267 V272	L210-G212 PolarHBondContact O-N 2.94Å; L210-Y218 PolarHBondContact N-O 3.03Å; L210-Y218 PolarHBondContact O-N 2.67Å; L210-A265 HydrophobicContact CB-CB 4.41Å; L210-E267 HydrophobicContact CD2-CB 4.1Å; L210-E267 HydrophobicContact CD2-CG 4.29Å; L210-V272 HydrophobicContact CD2-CG1 4Å
211	M	92.2	Very high	89.4	Confident	33 Å²	33	29.2 Å²	29.2	16%	0.163	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	107.6	164.4	-174.1	63.2	66.1	0	0	107.5	H147 W153 L217 L234	H147-M211 HydrophobicContact CB-CG 4.2Å; H147-M211 HydrophobicContact CB-SD 4.16Å; W153-M211 HydrophobicContact CE3-CE 3.85Å; W153-M211 HydrophobicContact CZ3-CE 3.81Å; M211-L217 HydrophobicContact CE-CD1 4.28Å; M211-L234 HydrophobicContact CE-CD1 4.29Å; M211-L234 HydrophobicContact CE-CD2 4.34Å; M211-L234 HydrophobicContact CE-CG 4.18Å
212	G	90.7	Very high	89.6	Confident	1 Å²	1	32 Å²	32	1%	0.01	18%	0.182	C	C	.	.			trans	-72.4	152.4	-178.9	0	0	0	0	0	112.2	H147 L210 D214 G215 F216 E267	H147-G212 PolarHBondContact CD2-O 2.82Å; L210-G212 PolarHBondContact O-N 2.94Å; G212-D214 PolarHBondContact O-N 2.93Å; G212-G215 PolarHBondContact O-N 2.82Å; G212-F216 PolarHBondContact N-O 2.83Å; G212-E267 WeakPolarHBondContact CA-OE2 3.27Å
213	S	90.4	Very high	89.8	Confident	73 Å²	73	31.2 Å²	31.2	51%	0.51	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.6	173.8	39.5	0	0	0	0	113.3	H147 G215 E267 K343	H147-S213 PolarHBondContact NE2-O 3.42Å; S213-G215 PolarHBondContact O-N 3.41Å; S213-E267 VanDerWaalsContact CB-OE1 3.26Å; S213-E267 WeakPolarHBondContact CB-OE1 3.12Å; S213-E267 PolarHBondContact N-OE2 3.31Å; S213-E267 VanDerWaalsContact OG-CD 3.23Å; S213-E267 PolarHBondContact OG-OE1 3.2Å; S213-E267 PolarHBondContact OG-OE2 3.11Å; S213-E267 VanDerWaalsContact OG-OE2 3.11Å; S213-K343 PolarHBondContact OG-NZ 2.86Å
214	D	89.7	Confident	89.9	Confident	53 Å²	53	35.4 Å²	35.4	28%	0.283	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.3	172.3	62.3	1.3	0	0	0	114.6	G212 F216 Y218 K343	G212-D214 PolarHBondContact O-N 2.93Å; D214-F216 HydrophobicContact CB-CD2 4.28Å; D214-F216 PolarHBondContact OD1-N 3.15Å; D214-F216 VanDerWaalsContact OD1-N 3.09Å; D214-Y218 WeakPolarHBondContact OD2-CE2 3.23Å; D214-Y218 PolarHBondContact OD2-OH 2.97Å; D214-K343 HydrophobicContact CB-CD 4.47Å
215	G	87.5	Confident	89.8	Confident	21 Å²	21	32.7 Å²	32.7	22%	0.216	19%	0.192	C	C	.	.	S	Bend	trans	83.6	8.5	179.5	0	0	0	0	0	114.8	G212 S213	G212-G215 PolarHBondContact O-N 2.82Å; S213-G215 PolarHBondContact O-N 3.41Å
216	F	91.9	Very high	90	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141	173.5	-70.7	-95.5	0	0	0	111.8	G212 D214 Y218 R231 S232 R233 Q245	G212-F216 PolarHBondContact N-O 2.83Å; D214-F216 HydrophobicContact CB-CD2 4.28Å; D214-F216 PolarHBondContact OD1-N 3.15Å; D214-F216 VanDerWaalsContact OD1-N 3.09Å; F216-Y218 HydrophobicContact CB-CD2 4.25Å; F216-Y218 HydrophobicContact CB-CE2 3.74Å; F216-R231 HydrophobicContact CB-CG 3.76Å; F216-R231 HydrophobicContact CD1-CG 3.49Å; F216-R231 VanDerWaalsContact CD1-CG 3.49Å; F216-R231 HydrophobicContact CE1-CG 4.18Å; F216-R231 HydrophobicContact CG-CG 3.75Å; F216-S232 CarbonylContact C-O 3.57Å; F216-S232 WeakPolarHBondContact CA-O 3.4Å; F216-R233 HydrophobicContact CD1-CG 3.62Å; F216-R233 HydrophobicContact CE1-CG 3.4Å; F216-R233 VanDerWaalsContact CE1-CG 3.4Å; F216-R233 HydrophobicContact CG-CG 4.47Å; F216-R233 HydrophobicContact CZ-CG 4.08Å; F216-Q245 HydrophobicContact CE1-CB 4.05Å; F216-Q245 HydrophobicContact CZ-CB 3.95Å
217	L	92.7	Very high	90.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.7	160.6	-176.4	78.8	0	0	0	109.3	L144 W153 Y198 M211 S232	L144-L217 HydrophobicContact CD1-CD1 3.32Å; W153-L217 HydrophobicContact CH2-CB 4.45Å; W153-L217 HydrophobicContact CH2-CD2 3.78Å; W153-L217 HydrophobicContact CZ3-CB 4.07Å; W153-L217 HydrophobicContact CZ3-CD1 4.03Å; W153-L217 HydrophobicContact CZ3-CD2 3.75Å; W153-L217 HydrophobicContact CZ3-CG 4.16Å; Y198-L217 HydrophobicContact CD1-CD2 3.88Å; Y198-L217 WeakPolarHBondContact O-CD2 3.38Å; M211-L217 HydrophobicContact CE-CD1 4.28Å; L217-S232 PolarHBondContact N-O 2.93Å; L217-S232 PolarHBondContact O-N 2.93Å; L217-S232 PolarHBondContact O-OG 3.02Å
218	Y	94.9	Very high	90.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	102.5	165.7	-66.4	-94.8	0	0	0	108.4	S209 L210 D214 F216 H230 R231 V272	S209-Y218 CarbonylContact C-O 3.55Å; S209-Y218 WeakPolarHBondContact CA-O 3.47Å; L210-Y218 PolarHBondContact N-O 3.03Å; L210-Y218 PolarHBondContact O-N 2.67Å; D214-Y218 WeakPolarHBondContact OD2-CE2 3.23Å; D214-Y218 PolarHBondContact OD2-OH 2.97Å; F216-Y218 HydrophobicContact CB-CD2 4.25Å; F216-Y218 HydrophobicContact CB-CE2 3.74Å; Y218-H230 CarbonylContact C-O 3.59Å; Y218-H230 WeakPolarHBondContact CA-O 3.31Å; Y218-R231 HydrophobicContact CD1-CB 4.04Å; Y218-R231 HydrophobicContact CD1-CG 4.15Å; Y218-R231 HydrophobicContact CE1-CB 3.85Å; Y218-R231 HydrophobicContact CE1-CG 3.63Å; Y218-R231 HydrophobicContact CE2-CG 4.4Å; Y218-R231 VanDerWaalsContact OH-CD 3.3Å; Y218-R231 WeakPolarHBondContact OH-CD 3.42Å; Y218-V272 HydrophobicContact CD1-CB 4.26Å; Y218-V272 HydrophobicContact CD1-CG1 4.12Å; Y218-V272 HydrophobicContact CD1-CG2 4.16Å; Y218-V272 HydrophobicContact CD2-CG2 3.99Å; Y218-V272 HydrophobicContact CE1-CB 4.32Å; Y218-V272 HydrophobicContact CE1-CG2 3.95Å; Y218-V272 HydrophobicContact CE2-CG2 3.79Å; Y218-V272 HydrophobicContact CG-CB 4.49Å; Y218-V272 HydrophobicContact CG-CG1 4.04Å; Y218-V272 HydrophobicContact CG-CG2 4.17Å
219	S	94.5	Very high	90.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	149	-177.7	58.9	0	0	0	0	111.2	V197 Y198 I229 H230	V197-S219 PolarHBondContact O-OG 3.23Å; Y198-S219 WeakPolarHBondContact O-CB 3.48Å; S219-I229 CarbonylContact O-C 3.56Å; S219-I229 VanDerWaalsContact O-CA 3.31Å; S219-I229 WeakPolarHBondContact O-CA 3.37Å; S219-H230 PolarHBondContact N-O 2.86Å; S219-H230 PolarHBondContact O-N 3.06Å
220	S	94.9	Very high	90.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.1	170.4	86.9	0	0	0	0	112.1	G207 V208 R228 F262	G207-S220 VanDerWaalsContact CA-O 3.3Å; G207-S220 WeakPolarHBondContact CA-O 3.48Å; V208-S220 PolarHBondContact N-OG 2.95Å; V208-S220 PolarHBondContact O-N 2.78Å; V208-S220 PolarHBondContact O-OG 2.94Å; S220-R228 VanDerWaalsContact CA-O 3.31Å; S220-R228 WeakPolarHBondContact CA-O 3.44Å; S220-F262 VanDerWaalsContact OG-CD1 3.22Å; S220-F262 WeakPolarHBondContact OG-CD1 3.1Å; S220-F262 VanDerWaalsContact OG-CD2 3.25Å; S220-F262 WeakPolarHBondContact OG-CD2 3.15Å; S220-F262 WeakPolarHBondContact OG-CE2 3.37Å; S220-F262 WeakPolarHBondContact OG-CG 3.21Å
221	G	92.3	Very high	90.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-162.9	179.5	0	0	0	0	0	112.8	M227 R228	G221-M227 CarbonylContact O-C 3.54Å; G221-M227 WeakPolarHBondContact O-CA 3.29Å; G221-R228 PolarHBondContact N-O 3.31Å; G221-R228 VanDerWaalsContact N-O 3.1Å; G221-R228 PolarHBondContact O-N 3.2Å
222	W	90.5	Very high	90.8	Very high	60 Å²	60	22.2 Å²	22.2	23%	0.227	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.6	168.5	-173.4	84.3	0	0	0	109.1	P169 S200 L201 D202 R205 G225 M227	P169-W222 HydrophobicContact CG-CH2 4.41Å; P169-W222 HydrophobicContact CG-CZ3 3.88Å; S200-W222 PolarHBondContact OG-N 3.11Å; L201-W222 HydrophobicContact CB-CE3 3.88Å; L201-W222 HydrophobicContact CB-CZ3 4.07Å; L201-W222 WeakPolarHBondContact CB-O 3.26Å; L201-W222 PolarHBondContact N-O 2.81Å; D202-W222 HydrophobicContact CB-CB 4.38Å; D202-W222 HydrophobicContact CB-CD2 4.44Å; D202-W222 HydrophobicContact CB-CE3 4.09Å; R205-W222 HydrophobicContact CB-CB 4.25Å; W222-G225 VanDerWaalsContact CZ2-CA 3.42Å; W222-G225 VanDerWaalsContact NE1-C 3.28Å; W222-G225 PolarHBondContact NE1-O 2.9Å; W222-M227 HydrophobicContact CB-SD 3.82Å; W222-M227 HydrophobicContact CG-SD 4.27Å
223	F	88.1	Confident	90.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.5	-175.9	-69.3	-76.4	0	0	0	110.4	S196 V197 S199 L201 G225 A226 R228 H230	S196-F223 WeakPolarHBondContact O-CD1 3.43Å; V197-F223 WeakPolarHBondContact O-CZ 3.47Å; S199-F223 WeakPolarHBondContact O-CE1 3.21Å; L201-F223 HydrophobicContact CG-CD1 4.43Å; F223-G225 VanDerWaalsContact C-N 3.31Å; F223-G225 PolarHBondContact O-N 2.8Å; F223-A226 PolarHBondContact N-O 3.07Å; F223-A226 PolarHBondContact O-N 2.86Å; F223-A226 VanDerWaalsContact O-O 3.12Å; F223-R228 HydrophobicContact CB-CB 4.3Å; F223-R228 HydrophobicContact CB-CG 4.31Å; F223-R228 HydrophobicContact CD2-CB 3.98Å; F223-R228 PolarHBondContact O-NE 2.85Å; F223-H230 AromaticContact CD1-CE1 3.53Å; F223-H230 AromaticContact CD2-CE1 3.52Å; F223-H230 AromaticContact CD2-ND1 3.93Å; F223-H230 AromaticContact CE1-CE1 3.84Å; F223-H230 AromaticContact CE1-ND1 3.85Å; F223-H230 AromaticContact CE2-CE1 3.8Å; F223-H230 AromaticContact CE2-ND1 3.72Å; F223-H230 AromaticContact CG-CE1 3.34Å; F223-H230 WeakPolarHBondContact CG-CE1 3.43Å; F223-H230 AromaticContact CZ-CE1 3.96Å; F223-H230 AromaticContact CZ-ND1 3.68Å
224	H	82.7	Confident	89.9	Confident	109 Å²	109	25 Å²	25	51%	0.505	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	48.2	174.9	-59.1	-71.6	0	0	0	113.8	S196	S196-H224 PolarHBondContact O-NE2 2.82Å
225	G	78.8	Confident	89.1	Confident	38 Å²	38	23 Å²	23	39%	0.392	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	-25.7	176.8	0	0	0	0	0	115.7	W222 F223	W222-G225 VanDerWaalsContact CZ2-CA 3.42Å; W222-G225 VanDerWaalsContact NE1-C 3.28Å; W222-G225 PolarHBondContact NE1-O 2.9Å; F223-G225 VanDerWaalsContact C-N 3.31Å; F223-G225 PolarHBondContact O-N 2.8Å
226	A	87.9	Confident	88.2	Confident	16 Å²	16	25.2 Å²	25.2	13%	0.132	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.6	-171.9	0	0	0	0	0	112.7	F223 P251	F223-A226 PolarHBondContact N-O 3.07Å; F223-A226 PolarHBondContact O-N 2.86Å; F223-A226 VanDerWaalsContact O-O 3.12Å; A226-P251 HydrophobicContact CB-CB 3.76Å
227	M	92	Very high	86.9	Confident	9 Å²	9	32.1 Å²	32.1	4%	0.044	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.6	168.2	-58.5	-55.3	-69.1	0	0	109.2	G221 W222 L256 K257 F262	G221-M227 CarbonylContact O-C 3.54Å; G221-M227 WeakPolarHBondContact O-CA 3.29Å; W222-M227 HydrophobicContact CB-SD 3.82Å; W222-M227 HydrophobicContact CG-SD 4.27Å; M227-L256 HydrophobicContact CB-CB 4.21Å; M227-L256 WeakPolarHBondContact O-CD1 3.41Å; M227-K257 WeakPolarHBondContact CG-O 3.37Å; M227-F262 HydrophobicContact CE-CD2 4Å; M227-F262 HydrophobicContact CE-CE2 3.77Å
228	R	93.2	Very high	85.6	Confident	53 Å²	53	36.1 Å²	36.1	20%	0.2	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162.3	180	-54.3	-171.8	-165.3	-163.1	2.1	113.1	S220 G221 F223 T249	S220-R228 VanDerWaalsContact CA-O 3.31Å; S220-R228 WeakPolarHBondContact CA-O 3.44Å; G221-R228 PolarHBondContact N-O 3.31Å; G221-R228 VanDerWaalsContact N-O 3.1Å; G221-R228 PolarHBondContact O-N 3.2Å; F223-R228 HydrophobicContact CB-CB 4.3Å; F223-R228 HydrophobicContact CB-CG 4.31Å; F223-R228 HydrophobicContact CD2-CB 3.98Å; F223-R228 PolarHBondContact O-NE 2.85Å; R228-T249 VanDerWaalsContact CA-OG1 3.25Å; R228-T249 WeakPolarHBondContact CA-OG1 3.37Å; R228-T249 WeakPolarHBondContact CB-OG1 3.28Å
229	I	95.8	Very high	83.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.6	159.7	-60	168.3	0	0	0	107.5	S219 A248 T249 L256 F262 F274 I339 I341 F357 F360	S219-I229 CarbonylContact O-C 3.56Å; S219-I229 VanDerWaalsContact O-CA 3.31Å; S219-I229 WeakPolarHBondContact O-CA 3.37Å; I229-A248 CarbonylContact O-C 3.52Å; I229-A248 WeakPolarHBondContact O-CA 3.46Å; I229-T249 HydrophobicContact CB-CG2 3.91Å; I229-T249 HydrophobicContact CG1-CG2 4.48Å; I229-T249 PolarHBondContact N-OG1 2.81Å; I229-T249 PolarHBondContact O-N 2.89Å; I229-T249 PolarHBondContact O-OG1 2.88Å; I229-L256 HydrophobicContact CG1-CD1 4.24Å; I229-F262 HydrophobicContact CD1-CE1 4.03Å; I229-F262 HydrophobicContact CG1-CE1 3.8Å; I229-F262 HydrophobicContact CG1-CZ 3.93Å; I229-F274 HydrophobicContact CD1-CB 4.25Å; I229-F274 HydrophobicContact CD1-CD1 4.19Å; I229-F274 HydrophobicContact CD1-CD2 3.75Å; I229-F274 HydrophobicContact CD1-CE1 4.47Å; I229-F274 HydrophobicContact CD1-CE2 4.06Å; I229-F274 HydrophobicContact CD1-CG 3.81Å; I229-F274 HydrophobicContact CD1-CZ 4.4Å; I229-F274 HydrophobicContact CG1-CD1 4.47Å; I229-F274 HydrophobicContact CG1-CE1 4.4Å; I229-F274 HydrophobicContact CG1-CZ 4.42Å; I229-F274 HydrophobicContact CG2-CD2 4.42Å; I229-F274 HydrophobicContact CG2-CE1 4.25Å; I229-F274 HydrophobicContact CG2-CE2 3.64Å; I229-F274 HydrophobicContact CG2-CZ 3.53Å; I229-I339 HydrophobicContact CD1-CD1 4.04Å; I229-I339 HydrophobicContact CD1-CG2 4.43Å; I229-I341 HydrophobicContact CD1-CD1 4.4Å; I229-I341 HydrophobicContact CG2-CD1 4.04Å; I229-F357 HydrophobicContact CG2-CE2 4.21Å; I229-F357 HydrophobicContact CG2-CZ 4.45Å; I229-F360 HydrophobicContact CD1-CE2 4.17Å
230	H	94.5	Very high	82.4	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.9	171.5	-54.2	145.2	0	0	0	111	V197 Y218 S219 F223 F246 L247	V197-H230 PolarHBondContact O-ND1 2.76Å; Y218-H230 CarbonylContact C-O 3.59Å; Y218-H230 WeakPolarHBondContact CA-O 3.31Å; S219-H230 PolarHBondContact N-O 2.86Å; S219-H230 PolarHBondContact O-N 3.06Å; F223-H230 AromaticContact CD1-CE1 3.53Å; F223-H230 AromaticContact CD2-CE1 3.52Å; F223-H230 AromaticContact CD2-ND1 3.93Å; F223-H230 AromaticContact CE1-CE1 3.84Å; F223-H230 AromaticContact CE1-ND1 3.85Å; F223-H230 AromaticContact CE2-CE1 3.8Å; F223-H230 AromaticContact CE2-ND1 3.72Å; F223-H230 AromaticContact CG-CE1 3.34Å; F223-H230 WeakPolarHBondContact CG-CE1 3.43Å; F223-H230 AromaticContact CZ-CE1 3.96Å; F223-H230 AromaticContact CZ-ND1 3.68Å; H230-F246 HydrophobicContact CB-CE2 3.97Å; H230-F246 HydrophobicContact CB-CZ 4.21Å; H230-F246 AromaticContact CD2-CZ 3.99Å; H230-L247 CarbonylContact C-O 3.59Å; H230-L247 VanDerWaalsContact CA-O 3.27Å; H230-L247 WeakPolarHBondContact CA-O 3.32Å
231	R	94	Very high	80.9	Confident	12 Å²	12	44.9 Å²	44.9	5%	0.045	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.3	159.3	-179.9	-176.9	74.7	-166.3	-2.4	106.4	F216 Y218 Q245 F246 L247 K343 D345 F357	F216-R231 HydrophobicContact CB-CG 3.76Å; F216-R231 HydrophobicContact CD1-CG 3.49Å; F216-R231 VanDerWaalsContact CD1-CG 3.49Å; F216-R231 HydrophobicContact CE1-CG 4.18Å; F216-R231 HydrophobicContact CG-CG 3.75Å; Y218-R231 HydrophobicContact CD1-CB 4.04Å; Y218-R231 HydrophobicContact CD1-CG 4.15Å; Y218-R231 HydrophobicContact CE1-CB 3.85Å; Y218-R231 HydrophobicContact CE1-CG 3.63Å; Y218-R231 HydrophobicContact CE2-CG 4.4Å; Y218-R231 VanDerWaalsContact OH-CD 3.3Å; Y218-R231 WeakPolarHBondContact OH-CD 3.42Å; R231-Q245 PolarHBondContact NE-O 2.81Å; R231-Q245 VanDerWaalsContact NE-O 3.13Å; R231-Q245 PolarHBondContact NH2-O 3.09Å; R231-F246 VanDerWaalsContact O-CA 3.29Å; R231-F246 WeakPolarHBondContact O-CA 3.31Å; R231-F246 VanDerWaalsContact O-CD2 3.32Å; R231-F246 WeakPolarHBondContact O-CD2 2.93Å; R231-L247 HydrophobicContact CB-CB 4.39Å; R231-L247 PolarHBondContact N-O 3.4Å; R231-L247 PolarHBondContact O-N 2.97Å; R231-K343 PolarHBondContact NH1-O 3.1Å; R231-D345 PolarHBondContact NH1-O 2.78Å; R231-D345 PolarHBondContact NH2-O 2.72Å; R231-D345 VanDerWaalsContact NH2-O 3.17Å; R231-F357 HydrophobicContact CB-CE1 3.74Å; R231-F357 HydrophobicContact CB-CZ 3.63Å
232	S	90.8	Very high	80.1	Confident	1 Å²	1	46 Å²	46	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.4	-177.5	62.6	0	0	0	0	110.4	F216 L217	F216-S232 CarbonylContact C-O 3.57Å; F216-S232 WeakPolarHBondContact CA-O 3.4Å; L217-S232 PolarHBondContact N-O 2.93Å; L217-S232 PolarHBondContact O-N 2.93Å; L217-S232 PolarHBondContact O-OG 3.02Å
233	R	85.8	Confident	79.5	Confident	86 Å²	86	49.9 Å²	49.9	33%	0.325	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	157.4	169.7	-69.6	-175.3	177.4	-137.5	0.2	109.9	F216 N242 N244	F216-R233 HydrophobicContact CD1-CG 3.62Å; F216-R233 HydrophobicContact CE1-CG 3.4Å; F216-R233 VanDerWaalsContact CE1-CG 3.4Å; F216-R233 HydrophobicContact CG-CG 4.47Å; F216-R233 HydrophobicContact CZ-CG 4.08Å; R233-N242 HydrophobicContact CB-CB 3.97Å; R233-N244 PolarHBondContact NE-O 3.44Å
234	L	76.4	Confident	79.2	Confident	45 Å²	45	55 Å²	55	24%	0.236	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-49.2	135.9	160	-86.4	165.8	0	0	0	108.8	W153 M211 N242	W153-L234 HydrophobicContact CD2-CD2 3.86Å; W153-L234 HydrophobicContact CE3-CD2 3.53Å; W153-L234 HydrophobicContact CH2-CD2 3.82Å; W153-L234 HydrophobicContact CZ2-CD2 4.16Å; W153-L234 HydrophobicContact CZ3-CD2 3.5Å; W153-L234 VanDerWaalsContact CZ3-CD2 3.5Å; W153-L234 HydrophobicContact CZ3-CG 4.27Å; M211-L234 HydrophobicContact CE-CD1 4.29Å; M211-L234 HydrophobicContact CE-CD2 4.34Å; M211-L234 HydrophobicContact CE-CG 4.18Å; L234-N242 WeakPolarHBondContact O-CB 3.12Å
235	P	71.6	Confident	79.1	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.071	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-58.8	161.7	178.7	-21.1	29.8	0	0	0	113	W153 W193 Y198	W153-P235 HydrophobicContact CZ2-CG 4.31Å; W193-P235 HydrophobicContact CB-CG 4.28Å; W193-P235 VanDerWaalsContact CD1-CB 3.45Å; W193-P235 HydrophobicContact CD2-CB 3.58Å; W193-P235 HydrophobicContact CD2-CG 3.51Å; W193-P235 HydrophobicContact CE3-CB 4.32Å; W193-P235 HydrophobicContact CE3-CG 3.87Å; W193-P235 HydrophobicContact CG-CB 3.69Å; W193-P235 HydrophobicContact CG-CG 3.69Å; W193-P235 HydrophobicContact CZ2-CB 3.77Å; W193-P235 HydrophobicContact CZ2-CG 4.26Å; W193-P235 HydrophobicContact CZ3-CG 4.39Å; Y198-P235 HydrophobicContact CE1-CG 4.34Å; Y198-P235 HydrophobicContact CE2-CG 4.09Å
236	N	68.5	Low	79.6	Confident	69 Å²	69	55.4 Å²	55.4	37%	0.369	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-77.9	148.5	169.8	-67	-14.4	0	0	0	110.2	W193 D238 K240 N242	W193-N236 PolarHBondContact NE1-O 3.36Å; W193-N236 VanDerWaalsContact NE1-O 3.09Å; N236-D238 VanDerWaalsContact CB-OD1 3.26Å; N236-D238 WeakPolarHBondContact CB-OD1 3.43Å; N236-D238 PolarHBondContact O-N 3.37Å; N236-K240 PolarHBondContact N-O 2.7Å; N236-N242 PolarHBondContact OD1-ND2 2.84Å
237	F	65.6	Low	79.9	Confident	162 Å²	162	54.9 Å²	54.9	71%	0.711	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	20.1	173.3	-60.2	-77.6	0	0	0	114.3
238	D	64	Low	80	Confident	83 Å²	83	55 Å²	55	44%	0.444	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	11.7	-173.2	84.4	-31.4	0	0	0	114	N236 K240	N236-D238 VanDerWaalsContact CB-OD1 3.26Å; N236-D238 WeakPolarHBondContact CB-OD1 3.43Å; N236-D238 PolarHBondContact O-N 3.37Å; D238-K240 VanDerWaalsContact CG-NZ 3.29Å; D238-K240 PolarHBondContact O-NZ 2.89Å; D238-K240 VanDerWaalsContact OD1-CB 3.28Å; D238-K240 WeakPolarHBondContact OD1-CB 3.32Å; D238-K240 WeakPolarHBondContact OD1-CG 3.34Å; D238-K240 PolarHBondContact OD1-N 3.05Å; D238-K240 IonicContact OD1-NZ 3.84Å; D238-K240 WeakPolarHBondContact OD2-CD 3.38Å; D238-K240 IonicContact OD2-NZ 2.69Å; D238-K240 PolarHBondContact OD2-NZ 3.09Å
239	G	59	Low	80	Confident	42 Å²	42	52.5 Å²	52.5	43%	0.433	26%	0.259	S	S	.	.	S	Bend	trans	98.8	-13	-173	0	0	0	0	0	115.4	V191	V191-G239 VanDerWaalsContact CG1-CA 3.46Å
240	K	63.2	Low	79.7	Confident	119 Å²	119	53.1 Å²	53.1	52%	0.517	26%	0.263	S	S	.	.			trans	-118.3	137.4	-159.1	-53.6	178.6	-162.4	67.2	0	113.6	N236 D238 N242	N236-K240 PolarHBondContact N-O 2.7Å; D238-K240 VanDerWaalsContact CG-NZ 3.29Å; D238-K240 PolarHBondContact O-NZ 2.89Å; D238-K240 VanDerWaalsContact OD1-CB 3.28Å; D238-K240 WeakPolarHBondContact OD1-CB 3.32Å; D238-K240 WeakPolarHBondContact OD1-CG 3.34Å; D238-K240 PolarHBondContact OD1-N 3.05Å; D238-K240 IonicContact OD1-NZ 3.84Å; D238-K240 WeakPolarHBondContact OD2-CD 3.38Å; D238-K240 IonicContact OD2-NZ 2.69Å; D238-K240 PolarHBondContact OD2-NZ 3.09Å; K240-N242 PolarHBondContact O-N 2.95Å
241	A	63.8	Low	79.3	Confident	23 Å²	23	57 Å²	57	19%	0.19	29%	0.288	C	S	.	.			trans	-56.7	133.5	166.1	0	0	0	0	0	110.2	Y198 W243	Y198-A241 WeakPolarHBondContact OH-CA 3.35Å; Y198-A241 WeakPolarHBondContact OH-CB 3.48Å; A241-W243 HydrophobicContact CB-CD2 4.41Å; A241-W243 HydrophobicContact CB-CH2 4.37Å; A241-W243 HydrophobicContact CB-CZ2 3.71Å; A241-W243 VanDerWaalsContact O-CD1 3.29Å; A241-W243 PolarHBondContact O-N 3.1Å
242	N	76	Confident	78.8	Confident	23 Å²	23	60 Å²	60	12%	0.123	31%	0.306	C	S	.	.			trans	-88.2	93.7	-179.9	-173.7	-13.4	0	0	0	109.5	R233 L234 N236 K240 N244	R233-N242 HydrophobicContact CB-CB 3.97Å; L234-N242 WeakPolarHBondContact O-CB 3.12Å; N236-N242 PolarHBondContact OD1-ND2 2.84Å; K240-N242 PolarHBondContact O-N 2.95Å; N242-N244 PolarHBondContact O-N 3.38Å; N242-N244 WeakPolarHBondContact OD1-CB 3.48Å; N242-N244 PolarHBondContact OD1-N 3.08Å
243	W	78.8	Confident	78.5	Confident	143 Å²	143	65.3 Å²	65.3	54%	0.542	33%	0.33	S	S	.	.			trans	-74.4	-2.9	-176.7	-59.7	109	0	0	0	114.4	V197 A241 Q245 F246	V197-W243 HydrophobicContact CG1-CH2 4.04Å; V197-W243 HydrophobicContact CG1-CZ3 4.1Å; V197-W243 HydrophobicContact CG2-CH2 4.41Å; A241-W243 HydrophobicContact CB-CD2 4.41Å; A241-W243 HydrophobicContact CB-CH2 4.37Å; A241-W243 HydrophobicContact CB-CZ2 3.71Å; A241-W243 VanDerWaalsContact O-CD1 3.29Å; A241-W243 PolarHBondContact O-N 3.1Å; W243-Q245 PolarHBondContact O-N 3.4Å; W243-F246 HydrophobicContact CE3-CB 4.15Å; W243-F246 HydrophobicContact CE3-CD1 4.14Å; W243-F246 HydrophobicContact CE3-CD2 4.02Å; W243-F246 AromaticContact CE3-CG 3.83Å; W243-F246 HydrophobicContact CE3-CG 3.83Å; W243-F246 HydrophobicContact CZ3-CD1 4.26Å; W243-F246 AromaticContact CZ3-CD2 3.98Å; W243-F246 HydrophobicContact CZ3-CD2 3.98Å; W243-F246 HydrophobicContact CZ3-CE1 4.29Å; W243-F246 HydrophobicContact CZ3-CE2 4.01Å; W243-F246 HydrophobicContact CZ3-CG 4.12Å; W243-F246 HydrophobicContact CZ3-CZ 4.17Å; W243-F246 VanDerWaalsContact O-CB 3.32Å; W243-F246 WeakPolarHBondContact O-CB 3Å; W243-F246 PolarHBondContact O-N 3.1Å; W243-F246 VanDerWaalsContact O-N 3.1Å
244	N	80	Confident	78.4	Confident	107 Å²	107	62.7 Å²	62.7	57%	0.572	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	119.1	-177.6	-66.7	-5.5	0	0	0	110.7	R233 N242 F246	R233-N244 PolarHBondContact NE-O 3.44Å; N242-N244 PolarHBondContact O-N 3.38Å; N242-N244 WeakPolarHBondContact OD1-CB 3.48Å; N242-N244 PolarHBondContact OD1-N 3.08Å; N244-F246 PolarHBondContact O-N 2.68Å
245	Q	81.7	Confident	79.1	Confident	118 Å²	118	60.9 Å²	60.9	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	23	-176.5	-59.8	169.4	-39.3	0	0	114.2	F216 R231 W243 L247	F216-Q245 HydrophobicContact CE1-CB 4.05Å; F216-Q245 HydrophobicContact CZ-CB 3.95Å; R231-Q245 PolarHBondContact NE-O 2.81Å; R231-Q245 VanDerWaalsContact NE-O 3.13Å; R231-Q245 PolarHBondContact NH2-O 3.09Å; W243-Q245 PolarHBondContact O-N 3.4Å; Q245-L247 PolarHBondContact O-N 2.81Å
246	F	89.8	Confident	80	Confident	38 Å²	38	60.7 Å²	60.7	17%	0.167	31%	0.313	C	S	.	.			trans	-61.2	129.2	169.8	175.4	-91.5	0	0	0	110.7	V197 H230 R231 W243 N244 A248	V197-F246 HydrophobicContact CB-CE2 3.98Å; V197-F246 HydrophobicContact CB-CZ 4.41Å; V197-F246 HydrophobicContact CG1-CE2 3.92Å; V197-F246 HydrophobicContact CG1-CZ 3.92Å; V197-F246 HydrophobicContact CG2-CE2 4.32Å; H230-F246 HydrophobicContact CB-CE2 3.97Å; H230-F246 HydrophobicContact CB-CZ 4.21Å; H230-F246 AromaticContact CD2-CZ 3.99Å; R231-F246 VanDerWaalsContact O-CA 3.29Å; R231-F246 WeakPolarHBondContact O-CA 3.31Å; R231-F246 VanDerWaalsContact O-CD2 3.32Å; R231-F246 WeakPolarHBondContact O-CD2 2.93Å; W243-F246 HydrophobicContact CE3-CB 4.15Å; W243-F246 HydrophobicContact CE3-CD1 4.14Å; W243-F246 HydrophobicContact CE3-CD2 4.02Å; W243-F246 AromaticContact CE3-CG 3.83Å; W243-F246 HydrophobicContact CE3-CG 3.83Å; W243-F246 HydrophobicContact CZ3-CD1 4.26Å; W243-F246 AromaticContact CZ3-CD2 3.98Å; W243-F246 HydrophobicContact CZ3-CD2 3.98Å; W243-F246 HydrophobicContact CZ3-CE1 4.29Å; W243-F246 HydrophobicContact CZ3-CE2 4.01Å; W243-F246 HydrophobicContact CZ3-CG 4.12Å; W243-F246 HydrophobicContact CZ3-CZ 4.17Å; W243-F246 VanDerWaalsContact O-CB 3.32Å; W243-F246 WeakPolarHBondContact O-CB 3Å; W243-F246 PolarHBondContact O-N 3.1Å; W243-F246 VanDerWaalsContact O-N 3.1Å; N244-F246 PolarHBondContact O-N 2.68Å; F246-A248 HydrophobicContact CE1-CB 4.04Å; F246-A248 HydrophobicContact CZ-CB 4.26Å
247	L	93.4	Very high	80.9	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.5	173.7	-62.9	-179.8	0	0	0	110.6	H230 R231 Q245 D345 G355 F357	H230-L247 CarbonylContact C-O 3.59Å; H230-L247 VanDerWaalsContact CA-O 3.27Å; H230-L247 WeakPolarHBondContact CA-O 3.32Å; R231-L247 HydrophobicContact CB-CB 4.39Å; R231-L247 PolarHBondContact N-O 3.4Å; R231-L247 PolarHBondContact O-N 2.97Å; Q245-L247 PolarHBondContact O-N 2.81Å; L247-D345 HydrophobicContact CD1-CB 3.86Å; L247-D345 WeakPolarHBondContact CD1-OD1 3.49Å; L247-G355 CarbonylContact C-O 3.56Å; L247-G355 WeakPolarHBondContact CA-O 3.3Å; L247-F357 HydrophobicContact CB-CD1 3.68Å; L247-F357 HydrophobicContact CB-CD2 4.3Å; L247-F357 HydrophobicContact CB-CE1 3.59Å; L247-F357 HydrophobicContact CB-CE2 4.22Å; L247-F357 HydrophobicContact CB-CG 4.05Å; L247-F357 HydrophobicContact CB-CZ 3.89Å; L247-F357 HydrophobicContact CD1-CD1 3.58Å; L247-F357 HydrophobicContact CD1-CE1 3.94Å; L247-F357 HydrophobicContact CD1-CG 4.37Å; L247-F357 HydrophobicContact CG-CD1 4.3Å; L247-F357 HydrophobicContact CG-CE1 4.41Å
248	A	93.3	Very high	81.7	Confident	11 Å²	11	56.5 Å²	56.5	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.5	177.9	0	0	0	0	0	111.2	I229 F246 G355 E356 F357	I229-A248 CarbonylContact O-C 3.52Å; I229-A248 WeakPolarHBondContact O-CA 3.46Å; F246-A248 HydrophobicContact CE1-CB 4.04Å; F246-A248 HydrophobicContact CZ-CB 4.26Å; A248-G355 PolarHBondContact N-O 2.83Å; A248-E356 WeakPolarHBondContact O-CA 3.47Å; A248-F357 WeakPolarHBondContact O-CD2 3.46Å; A248-F357 PolarHBondContact O-N 3.2Å
249	T	94.1	Very high	82.6	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	29%	0.287	C	S	.	.			trans	-76.3	140.3	162.1	52.7	0	0	0	0	110.2	R228 I229 L256 F357 F360	R228-T249 VanDerWaalsContact CA-OG1 3.25Å; R228-T249 WeakPolarHBondContact CA-OG1 3.37Å; R228-T249 WeakPolarHBondContact CB-OG1 3.28Å; I229-T249 HydrophobicContact CB-CG2 3.91Å; I229-T249 HydrophobicContact CG1-CG2 4.48Å; I229-T249 PolarHBondContact N-OG1 2.81Å; I229-T249 PolarHBondContact O-N 2.89Å; I229-T249 PolarHBondContact O-OG1 2.88Å; T249-L256 HydrophobicContact CG2-CD1 4.2Å; T249-F357 HydrophobicContact CG2-CD2 4Å; T249-F357 HydrophobicContact CG2-CE2 4.36Å; T249-F360 HydrophobicContact CG2-CD2 3.63Å; T249-F360 HydrophobicContact CG2-CE2 3.5Å; T249-F360 VanDerWaalsContact CG2-CE2 3.5Å; T249-F360 HydrophobicContact CG2-CZ 4.45Å
250	P	89.3	Confident	84.1	Confident	13 Å²	13	53 Å²	53	8%	0.084	27%	0.268	C	S	.	.			trans	-54.5	148.8	169	-25	34.7	0	0	0	112	D252 F255 E356	P250-D252 HydrophobicContact CB-CB 4.37Å; P250-D252 PolarHBondContact O-N 2.87Å; P250-F255 HydrophobicContact CB-CD2 4.13Å; P250-F255 HydrophobicContact CB-CE2 4.26Å; P250-F255 HydrophobicContact CB-CG 4.47Å; P250-F255 HydrophobicContact CG-CD1 4.26Å; P250-F255 HydrophobicContact CG-CD2 4.08Å; P250-F255 HydrophobicContact CG-CE1 4.04Å; P250-F255 HydrophobicContact CG-CE2 3.87Å; P250-F255 HydrophobicContact CG-CG 4.28Å; P250-F255 HydrophobicContact CG-CZ 3.84Å; P250-E356 HydrophobicContact CG-CG 4.02Å
251	P	85.4	Confident	85.5	Confident	84 Å²	84	51 Å²	51	55%	0.545	26%	0.26	S	S	.	.	S	Bend	trans	-76.6	27	176	34.9	-37.6	0	0	0	113.4	A226	A226-P251 HydrophobicContact CB-CB 3.76Å
252	D	85.4	Confident	86.9	Confident	77 Å²	77	50.3 Å²	50.3	41%	0.412	25%	0.253	S	S	.	.			trans	-92.6	130.7	-177.6	178.9	-9.2	0	0	0	109.7	P250 V254 F255 L256	P250-D252 HydrophobicContact CB-CB 4.37Å; P250-D252 PolarHBondContact O-N 2.87Å; D252-V254 PolarHBondContact O-N 3.27Å; D252-V254 WeakPolarHBondContact OD1-CB 3.37Å; D252-V254 WeakPolarHBondContact OD1-CG2 3.11Å; D252-V254 PolarHBondContact OD1-N 3.11Å; D252-F255 HydrophobicContact CB-CD2 4.12Å; D252-F255 WeakPolarHBondContact O-CA 3.35Å; D252-F255 WeakPolarHBondContact O-CB 3.38Å; D252-F255 PolarHBondContact O-N 3.27Å; D252-L256 PolarHBondContact O-N 2.05Å; D252-L256 VanDerWaalsContact O-N 3.13Å
253	E	83.3	Confident	87.8	Confident	111 Å²	111	50.4 Å²	50.4	52%	0.519	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-25.8	176.7	-66.7	-171.6	166.5	0	0	113.6	F255 L256 K257	E253-F255 PolarHBondContact O-N 2.93Å; E253-L256 WeakPolarHBondContact CA-O 3.46Å; E253-K257 WeakPolarHBondContact O-CG 3.09Å
254	V	84.4	Confident	88.5	Confident	32 Å²	32	44.4 Å²	44.4	19%	0.194	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-33.1	174.8	174.9	0	0	0	0	111.2	D252 N449 N451 L490	D252-V254 PolarHBondContact O-N 3.27Å; D252-V254 WeakPolarHBondContact OD1-CB 3.37Å; D252-V254 WeakPolarHBondContact OD1-CG2 3.11Å; D252-V254 PolarHBondContact OD1-N 3.11Å; V254-N449 HydrophobicContact CG1-CB 3.82Å; V254-N449 WeakPolarHBondContact CG1-ND2 3.21Å; V254-N451 HydrophobicContact CG2-CB 4.42Å; V254-L490 HydrophobicContact CG1-CD1 3.65Å; V254-L490 WeakPolarHBondContact O-CD1 3.38Å
255	F	89.8	Confident	89.3	Confident	7 Å²	7	40.2 Å²	40.2	3%	0.031	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-51.9	173.1	-74.5	-103.7	0	0	0	112	P250 D252 E253 F360 K362 P486 L490	P250-F255 HydrophobicContact CB-CD2 4.13Å; P250-F255 HydrophobicContact CB-CE2 4.26Å; P250-F255 HydrophobicContact CB-CG 4.47Å; P250-F255 HydrophobicContact CG-CD1 4.26Å; P250-F255 HydrophobicContact CG-CD2 4.08Å; P250-F255 HydrophobicContact CG-CE1 4.04Å; P250-F255 HydrophobicContact CG-CE2 3.87Å; P250-F255 HydrophobicContact CG-CG 4.28Å; P250-F255 HydrophobicContact CG-CZ 3.84Å; D252-F255 HydrophobicContact CB-CD2 4.12Å; D252-F255 WeakPolarHBondContact O-CA 3.35Å; D252-F255 WeakPolarHBondContact O-CB 3.38Å; D252-F255 PolarHBondContact O-N 3.27Å; E253-F255 PolarHBondContact O-N 2.93Å; F255-F360 AromaticContact CD1-CD1 3.88Å; F255-F360 HydrophobicContact CD1-CD1 3.88Å; F255-F360 AromaticContact CD1-CE1 3.96Å; F255-F360 HydrophobicContact CD1-CE1 3.96Å; F255-F360 HydrophobicContact CD1-CG 4.31Å; F255-F360 HydrophobicContact CD1-CZ 4.45Å; F255-F360 HydrophobicContact CE1-CD1 4.29Å; F255-K362 WeakPolarHBondContact O-CE 3.42Å; F255-K362 PolarHBondContact O-NZ 3.48Å; F255-P486 HydrophobicContact CE1-CB 3.8Å; F255-P486 HydrophobicContact CZ-CB 3.87Å; F255-L490 HydrophobicContact CD1-CD1 4.47Å; F255-L490 HydrophobicContact CD1-CD2 3.93Å; F255-L490 HydrophobicContact CD2-CD1 4.38Å; F255-L490 HydrophobicContact CE1-CD2 3.69Å; F255-L490 HydrophobicContact CG-CD1 4.32Å; F255-L490 HydrophobicContact CZ-CD2 4.12Å
256	L	91.3	Very high	90	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-147.5	124.7	-178.9	-68.6	170.1	0	0	0	110	M227 I229 T249 D252 E253 T260 F262 I276 I339 F360	M227-L256 HydrophobicContact CB-CB 4.21Å; M227-L256 WeakPolarHBondContact O-CD1 3.41Å; I229-L256 HydrophobicContact CG1-CD1 4.24Å; T249-L256 HydrophobicContact CG2-CD1 4.2Å; D252-L256 PolarHBondContact O-N 2.05Å; D252-L256 VanDerWaalsContact O-N 3.13Å; E253-L256 WeakPolarHBondContact CA-O 3.46Å; L256-T260 HydrophobicContact CD2-CG2 4.14Å; L256-F262 HydrophobicContact CD1-CZ 4.18Å; L256-F262 HydrophobicContact CD2-CZ 4.37Å; L256-I276 HydrophobicContact CD2-CD1 4.28Å; L256-I339 HydrophobicContact CD2-CD1 3.87Å; L256-F360 HydrophobicContact CD2-CZ 4.48Å
257	K	87.3	Confident	90.2	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.087	19%	0.193	C	C	.	.			trans	-82.6	156.2	-178.9	-64	-171.6	174.2	-168	0	111.1	M227 E253 S259 T260 L279 S281	M227-K257 WeakPolarHBondContact CG-O 3.37Å; E253-K257 WeakPolarHBondContact O-CG 3.09Å; K257-S259 PolarHBondContact O-N 2.89Å; K257-S259 VanDerWaalsContact O-N 3.13Å; K257-T260 PolarHBondContact N-OG1 3.31Å; K257-T260 VanDerWaalsContact N-OG1 3.12Å; K257-T260 VanDerWaalsContact O-CB 3.24Å; K257-T260 WeakPolarHBondContact O-CB 3.18Å; K257-T260 PolarHBondContact O-N 3.1Å; K257-T260 PolarHBondContact O-OG1 2.75Å; K257-L279 WeakPolarHBondContact CD-O 3.32Å; K257-L279 WeakPolarHBondContact CE-O 3.35Å; K257-L279 PolarHBondContact NZ-O 3.14Å; K257-S281 PolarHBondContact NZ-OG 2.73Å
258	E	82.4	Confident	90.3	Very high	122 Å²	122	36.4 Å²	36.4	57%	0.57	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.9	171.9	-65.6	-164.1	166.8	0	0	113.7	R205	R205-E258 PolarHBondContact NH1-O 2.99Å
259	S	83.6	Confident	90.2	Very high	47 Å²	47	41.4 Å²	41.4	33%	0.329	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2.7	174.8	58.6	0	0	0	0	114.1	K257	K257-S259 PolarHBondContact O-N 2.89Å; K257-S259 VanDerWaalsContact O-N 3.13Å
260	T	90.1	Very high	90.1	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.037	23%	0.233	C	C	.	.			trans	-69.3	129.4	176.3	-63.8	0	0	0	0	110.9	L256 K257 I276 R277 E278	L256-T260 HydrophobicContact CD2-CG2 4.14Å; K257-T260 PolarHBondContact N-OG1 3.31Å; K257-T260 VanDerWaalsContact N-OG1 3.12Å; K257-T260 VanDerWaalsContact O-CB 3.24Å; K257-T260 WeakPolarHBondContact O-CB 3.18Å; K257-T260 PolarHBondContact O-N 3.1Å; K257-T260 PolarHBondContact O-OG1 2.75Å; T260-I276 HydrophobicContact CG2-CB 3.92Å; T260-I276 HydrophobicContact CG2-CD1 3.75Å; T260-I276 HydrophobicContact CG2-CG1 4.44Å; T260-I276 HydrophobicContact CG2-CG2 4.09Å; T260-R277 CarbonylContact C-O 3.28Å; T260-R277 WeakPolarHBondContact CA-O 3.03Å; T260-E278 WeakPolarHBondContact OG1-CB 3.46Å; T260-E278 PolarHBondContact OG1-OE2 3.02Å
261	H	91.7	Very high	90.4	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.347	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	173	-175.3	67.2	0	0	0	109.5	I276 R277	H261-I276 CarbonylContact O-C 3.56Å; H261-I276 VanDerWaalsContact O-CA 3.29Å; H261-I276 WeakPolarHBondContact O-CA 3.32Å; H261-R277 PolarHBondContact CD2-NH2 3.48Å; H261-R277 PolarHBondContact N-O 3.12Å; H261-R277 PolarHBondContact O-N 3.15Å
262	F	94.2	Very high	91	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.8	176.3	-65.8	-80.1	0	0	0	110.2	V208 S220 M227 I229 L256 F274 I276	V208-F262 HydrophobicContact CG2-CB 3.93Å; S220-F262 VanDerWaalsContact OG-CD1 3.22Å; S220-F262 WeakPolarHBondContact OG-CD1 3.1Å; S220-F262 VanDerWaalsContact OG-CD2 3.25Å; S220-F262 WeakPolarHBondContact OG-CD2 3.15Å; S220-F262 WeakPolarHBondContact OG-CE2 3.37Å; S220-F262 WeakPolarHBondContact OG-CG 3.21Å; M227-F262 HydrophobicContact CE-CD2 4Å; M227-F262 HydrophobicContact CE-CE2 3.77Å; I229-F262 HydrophobicContact CD1-CE1 4.03Å; I229-F262 HydrophobicContact CG1-CE1 3.8Å; I229-F262 HydrophobicContact CG1-CZ 3.93Å; L256-F262 HydrophobicContact CD1-CZ 4.18Å; L256-F262 HydrophobicContact CD2-CZ 4.37Å; F262-F274 HydrophobicContact CD1-CD1 4.26Å; F262-F274 HydrophobicContact CE1-CD1 4.42Å; F262-I276 HydrophobicContact CD1-CG2 3.37Å; F262-I276 HydrophobicContact CE1-CG2 3.68Å; F262-I276 HydrophobicContact CG-CG2 4.23Å
263	I	93.7	Very high	91.6	Very high	26 Å²	26	33.5 Å²	33.5	13%	0.133	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-53.1	-174.8	-63.6	178.3	0	0	0	111	L275 R277 S402	I263-L275 HydrophobicContact CB-CB 4.48Å; I263-L275 HydrophobicContact CB-CD2 4.16Å; I263-L275 HydrophobicContact CB-CG 4.14Å; I263-L275 HydrophobicContact CG2-CD2 3.9Å; I263-L275 HydrophobicContact CG2-CG 4.44Å; I263-L275 PolarHBondContact N-O 3.13Å; I263-R277 HydrophobicContact CD1-CB 4.16Å; I263-S402 WeakPolarHBondContact CD1-OG 3.43Å
264	C	94.3	Very high	92.3	Very high	17 Å²	17	28.2 Å²	28.2	12%	0.115	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	168.5	173	68.4	0	0	0	0	111.4	L275 G405	C264-L275 PolarHBondContact O-N 3.27Å; C264-G405 WeakPolarHBondContact CB-O 3.22Å; C264-G405 PolarHBondContact SG-O 2.83Å
265	A	96.1	Very high	92.9	Very high	19 Å²	19	26.7 Å²	26.7	16%	0.157	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.4	173.2	0	0	0	0	0	109.3	V208 L210 Y273 F274	V208-A265 HydrophobicContact CB-CB 4.37Å; V208-A265 HydrophobicContact CG1-CB 3.71Å; L210-A265 HydrophobicContact CB-CB 4.41Å; A265-Y273 CarbonylContact C-O 3.57Å; A265-Y273 WeakPolarHBondContact CA-O 3.09Å; A265-Y273 WeakPolarHBondContact CB-O 2.58Å; A265-F274 HydrophobicContact CB-CD1 3.69Å; A265-F274 HydrophobicContact CB-CE1 3.79Å; A265-F274 HydrophobicContact CB-CG 4.21Å; A265-F274 HydrophobicContact CB-CZ 4.39Å
266	F	96.1	Very high	93.1	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.039	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	169.4	-180	64.6	-88.6	0	0	0	111	Y273 L338 W407 L414	F266-Y273 HydrophobicContact CD2-CD2 4.01Å; F266-Y273 HydrophobicContact CD2-CG 4.35Å; F266-Y273 HydrophobicContact CE1-CG 4.38Å; F266-Y273 AromaticContact CE2-CD2 3.54Å; F266-Y273 HydrophobicContact CE2-CD2 3.54Å; F266-Y273 HydrophobicContact CE2-CE2 4.32Å; F266-Y273 AromaticContact CE2-CG 3.72Å; F266-Y273 HydrophobicContact CE2-CG 3.72Å; F266-Y273 VanDerWaalsContact CZ-CB 3.48Å; F266-Y273 HydrophobicContact CZ-CD1 4.38Å; F266-Y273 HydrophobicContact CZ-CD2 4.06Å; F266-Y273 AromaticContact CZ-CG 3.74Å; F266-Y273 HydrophobicContact CZ-CG 3.74Å; F266-Y273 PolarHBondContact N-O 2.97Å; F266-Y273 PolarHBondContact O-N 3.21Å; F266-L338 HydrophobicContact CE1-CD1 3.91Å; F266-L338 HydrophobicContact CZ-CD1 4.19Å; F266-L338 HydrophobicContact CZ-CD2 4.48Å; F266-W407 HydrophobicContact CB-CB 3.56Å; F266-W407 HydrophobicContact CB-CD2 4.45Å; F266-W407 HydrophobicContact CB-CG 3.63Å; F266-W407 HydrophobicContact CD1-CB 4.01Å; F266-W407 HydrophobicContact CD1-CG 4.35Å; F266-W407 HydrophobicContact CD2-CB 4.08Å; F266-W407 AromaticContact CD2-CD1 3.87Å; F266-W407 AromaticContact CD2-CD2 3.41Å; F266-W407 HydrophobicContact CD2-CD2 3.41Å; F266-W407 VanDerWaalsContact CD2-CD2 3.41Å; F266-W407 AromaticContact CD2-CE2 3.75Å; F266-W407 AromaticContact CD2-CE3 3.81Å; F266-W407 HydrophobicContact CD2-CE3 3.81Å; F266-W407 AromaticContact CD2-CG 3.53Å; F266-W407 HydrophobicContact CD2-CG 3.53Å; F266-W407 HydrophobicContact CD2-CZ2 4.41Å; F266-W407 HydrophobicContact CD2-CZ3 4.46Å; F266-W407 AromaticContact CD2-NE1 3.95Å; F266-W407 AromaticContact CE2-CD2 3.68Å; F266-W407 HydrophobicContact CE2-CD2 3.68Å; F266-W407 AromaticContact CE2-CE3 3.55Å; F266-W407 HydrophobicContact CE2-CE3 3.55Å; F266-W407 HydrophobicContact CE2-CG 4.23Å; F266-W407 HydrophobicContact CE2-CH2 4.29Å; F266-W407 HydrophobicContact CE2-CZ2 4.39Å; F266-W407 AromaticContact CE2-CZ3 3.88Å; F266-W407 HydrophobicContact CE2-CZ3 3.88Å; F266-W407 HydrophobicContact CG-CB 3.64Å; F266-W407 AromaticContact CG-CD2 3.96Å; F266-W407 HydrophobicContact CG-CD2 3.96Å; F266-W407 HydrophobicContact CG-CE3 4.43Å; F266-W407 AromaticContact CG-CG 3.6Å; F266-W407 HydrophobicContact CG-CG 3.6Å; F266-W407 HydrophobicContact CZ-CD2 4.41Å; F266-W407 AromaticContact CZ-CE3 3.97Å; F266-W407 HydrophobicContact CZ-CE3 3.97Å; F266-W407 HydrophobicContact CZ-CZ3 4.37Å; F266-L414 HydrophobicContact CD1-CD1 4.24Å; F266-L414 HydrophobicContact CE1-CD1 3.75Å; F266-L414 HydrophobicContact CE1-CD2 4.01Å; F266-L414 HydrophobicContact CE1-CG 4.42Å; F266-L414 HydrophobicContact CZ-CD1 4.35Å; F266-L414 HydrophobicContact CZ-CD2 4.22Å
267	E	95.3	Very high	93.2	Very high	52 Å²	52	27.8 Å²	27.8	24%	0.243	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	153	179.2	56.9	163.6	-138.1	0	0	113.1	L210 G212 S213 S271 V272 K343	L210-E267 HydrophobicContact CD2-CB 4.1Å; L210-E267 HydrophobicContact CD2-CG 4.29Å; G212-E267 WeakPolarHBondContact CA-OE2 3.27Å; S213-E267 VanDerWaalsContact CB-OE1 3.26Å; S213-E267 WeakPolarHBondContact CB-OE1 3.12Å; S213-E267 PolarHBondContact N-OE2 3.31Å; S213-E267 VanDerWaalsContact OG-CD 3.23Å; S213-E267 PolarHBondContact OG-OE1 3.2Å; S213-E267 PolarHBondContact OG-OE2 3.11Å; S213-E267 VanDerWaalsContact OG-OE2 3.11Å; E267-S271 WeakPolarHBondContact CA-O 3.49Å; E267-V272 HydrophobicContact CB-CG2 4.33Å; E267-K343 IonicContact OE1-NZ 3.21Å; E267-K343 PolarHBondContact OE1-NZ 2.83Å; E267-K343 WeakPolarHBondContact OE2-CE 3.23Å; E267-K343 IonicContact OE2-NZ 3.46Å; E267-K343 PolarHBondContact OE2-NZ 2.69Å
268	T	94.1	Very high	93.3	Very high	18 Å²	18	27 Å²	27	11%	0.11	15%	0.15	C	C	.	.			trans	-105.4	-171.1	160.3	57.3	0	0	0	0	109.1	D270 S271 Y273 K343 L435	T268-D270 VanDerWaalsContact C-N 3.29Å; T268-D270 PolarHBondContact O-N 2.93Å; T268-D270 PolarHBondContact OG1-OD1 3.29Å; T268-S271 PolarHBondContact N-O 3.01Å; T268-S271 WeakPolarHBondContact OG1-CB 2.8Å; T268-S271 PolarHBondContact OG1-N 3.42Å; T268-S271 VanDerWaalsContact OG1-N 3.13Å; T268-S271 PolarHBondContact OG1-O 2.72Å; T268-Y273 HydrophobicContact CG2-CD2 4.34Å; T268-Y273 HydrophobicContact CG2-CE2 3.67Å; T268-K343 PolarHBondContact O-NZ 2.66Å; T268-L435 HydrophobicContact CG2-CD1 3.92Å; T268-L435 HydrophobicContact CG2-CD2 4.1Å
269	S	91.3	Very high	93.4	Very high	116 Å²	116	23 Å²	23	81%	0.811	13%	0.132	S	C	*	.	S	Bend	trans	-60.7	-35	173.4	46.5	0	0	0	0	113.6
270	D	93.5	Very high	93	Very high	11 Å²	11	24.8 Å²	24.8	6%	0.059	13%	0.134	C	C	.	.	S	Bend	trans	-116.8	-14.5	-171	69.1	-18.4	0	0	0	115	T268 K343 C466 K467	T268-D270 VanDerWaalsContact C-N 3.29Å; T268-D270 PolarHBondContact O-N 2.93Å; T268-D270 PolarHBondContact OG1-OD1 3.29Å; D270-K343 PolarHBondContact O-N 3.45Å; D270-C466 HydrophobicContact CB-CB 4.19Å; D270-C466 VanDerWaalsContact OD2-CB 3.29Å; D270-C466 WeakPolarHBondContact OD2-CB 3.5Å; D270-K467 WeakPolarHBondContact OD2-CG 3.18Å; D270-K467 PolarHBondContact OD2-N 3.31Å
271	S	95.5	Very high	91.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.7	-166.6	-49.9	0	0	0	0	112.5	E267 T268 I341 C466	E267-S271 WeakPolarHBondContact CA-O 3.49Å; T268-S271 PolarHBondContact N-O 3.01Å; T268-S271 WeakPolarHBondContact OG1-CB 2.8Å; T268-S271 PolarHBondContact OG1-N 3.42Å; T268-S271 VanDerWaalsContact OG1-N 3.13Å; T268-S271 PolarHBondContact OG1-O 2.72Å; S271-I341 CarbonylContact C-O 3.58Å; S271-I341 WeakPolarHBondContact CA-O 2.97Å; S271-C466 WeakPolarHBondContact OG-CB 3.07Å; S271-C466 PolarHBondContact OG-SG 3.26Å; S271-C466 VanDerWaalsContact OG-SG 3.34Å
272	V	97	Very high	90	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.2	169.5	179	0	0	0	0	108.6	L210 Y218 E267 F274 I341 K343	L210-V272 HydrophobicContact CD2-CG1 4Å; Y218-V272 HydrophobicContact CD1-CB 4.26Å; Y218-V272 HydrophobicContact CD1-CG1 4.12Å; Y218-V272 HydrophobicContact CD1-CG2 4.16Å; Y218-V272 HydrophobicContact CD2-CG2 3.99Å; Y218-V272 HydrophobicContact CE1-CB 4.32Å; Y218-V272 HydrophobicContact CE1-CG2 3.95Å; Y218-V272 HydrophobicContact CE2-CG2 3.79Å; Y218-V272 HydrophobicContact CG-CB 4.49Å; Y218-V272 HydrophobicContact CG-CG1 4.04Å; Y218-V272 HydrophobicContact CG-CG2 4.17Å; E267-V272 HydrophobicContact CB-CG2 4.33Å; V272-F274 HydrophobicContact CG1-CD2 4.33Å; V272-F274 HydrophobicContact CG1-CE2 3.78Å; V272-F274 HydrophobicContact CG1-CZ 4.46Å; V272-I341 PolarHBondContact N-O 3.27Å; V272-I341 PolarHBondContact O-N 3.49Å; V272-K343 HydrophobicContact CG2-CG 3.95Å
273	Y	97.9	Very high	88.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.4	-175.3	-67.4	-88.8	0	0	0	111.5	A265 F266 T268 L338 I339 R340 I438 E439 F442	A265-Y273 CarbonylContact C-O 3.57Å; A265-Y273 WeakPolarHBondContact CA-O 3.09Å; A265-Y273 WeakPolarHBondContact CB-O 2.58Å; F266-Y273 HydrophobicContact CD2-CD2 4.01Å; F266-Y273 HydrophobicContact CD2-CG 4.35Å; F266-Y273 HydrophobicContact CE1-CG 4.38Å; F266-Y273 AromaticContact CE2-CD2 3.54Å; F266-Y273 HydrophobicContact CE2-CD2 3.54Å; F266-Y273 HydrophobicContact CE2-CE2 4.32Å; F266-Y273 AromaticContact CE2-CG 3.72Å; F266-Y273 HydrophobicContact CE2-CG 3.72Å; F266-Y273 VanDerWaalsContact CZ-CB 3.48Å; F266-Y273 HydrophobicContact CZ-CD1 4.38Å; F266-Y273 HydrophobicContact CZ-CD2 4.06Å; F266-Y273 AromaticContact CZ-CG 3.74Å; F266-Y273 HydrophobicContact CZ-CG 3.74Å; F266-Y273 PolarHBondContact N-O 2.97Å; F266-Y273 PolarHBondContact O-N 3.21Å; T268-Y273 HydrophobicContact CG2-CD2 4.34Å; T268-Y273 HydrophobicContact CG2-CE2 3.67Å; Y273-L338 HydrophobicContact CD1-CD1 4.41Å; Y273-L338 HydrophobicContact CD1-CD2 4.01Å; Y273-L338 HydrophobicContact CD1-CG 4.03Å; Y273-L338 HydrophobicContact CE1-CD2 4.49Å; Y273-I339 WeakPolarHBondContact CA-O 2.57Å; Y273-I339 WeakPolarHBondContact CD1-O 3.02Å; Y273-R340 HydrophobicContact CD1-CB 3.93Å; Y273-R340 HydrophobicContact CD1-CG 4.09Å; Y273-R340 HydrophobicContact CE1-CB 3.64Å; Y273-R340 HydrophobicContact CE1-CG 3.52Å; Y273-R340 HydrophobicContact CE2-CG 4.5Å; Y273-R340 VanDerWaalsContact OH-CD 3.24Å; Y273-R340 WeakPolarHBondContact OH-CD 3.34Å; Y273-I438 HydrophobicContact CE1-CG2 3.97Å; Y273-E439 PolarHBondContact OH-OE2 3.47Å; Y273-E439 VanDerWaalsContact OH-OE2 3.05Å; Y273-F442 HydrophobicContact CD1-CE2 4.1Å; Y273-F442 HydrophobicContact CE1-CD2 4.03Å; Y273-F442 AromaticContact CE1-CE2 3.61Å; Y273-F442 HydrophobicContact CE1-CE2 3.61Å; Y273-F442 HydrophobicContact CE1-CZ 4.33Å
274	F	97.9	Very high	85.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.8	172.9	-69.7	-100.9	0	0	0	110.2	I229 F262 A265 V272 I339 I341	I229-F274 HydrophobicContact CD1-CB 4.25Å; I229-F274 HydrophobicContact CD1-CD1 4.19Å; I229-F274 HydrophobicContact CD1-CD2 3.75Å; I229-F274 HydrophobicContact CD1-CE1 4.47Å; I229-F274 HydrophobicContact CD1-CE2 4.06Å; I229-F274 HydrophobicContact CD1-CG 3.81Å; I229-F274 HydrophobicContact CD1-CZ 4.4Å; I229-F274 HydrophobicContact CG1-CD1 4.47Å; I229-F274 HydrophobicContact CG1-CE1 4.4Å; I229-F274 HydrophobicContact CG1-CZ 4.42Å; I229-F274 HydrophobicContact CG2-CD2 4.42Å; I229-F274 HydrophobicContact CG2-CE1 4.25Å; I229-F274 HydrophobicContact CG2-CE2 3.64Å; I229-F274 HydrophobicContact CG2-CZ 3.53Å; F262-F274 HydrophobicContact CD1-CD1 4.26Å; F262-F274 HydrophobicContact CE1-CD1 4.42Å; A265-F274 HydrophobicContact CB-CD1 3.69Å; A265-F274 HydrophobicContact CB-CE1 3.79Å; A265-F274 HydrophobicContact CB-CG 4.21Å; A265-F274 HydrophobicContact CB-CZ 4.39Å; V272-F274 HydrophobicContact CG1-CD2 4.33Å; V272-F274 HydrophobicContact CG1-CE2 3.78Å; V272-F274 HydrophobicContact CG1-CZ 4.46Å; F274-I339 HydrophobicContact CB-CB 4.24Å; F274-I339 PolarHBondContact N-O 2.83Å; F274-I339 VanDerWaalsContact N-O 3.08Å; F274-I339 PolarHBondContact O-N 2.93Å; F274-I341 HydrophobicContact CE2-CD1 4.36Å
275	L	97.3	Very high	82.7	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.2	172	-178.8	64.1	0	0	0	109.3	I263 C264 T336 L338 L365 V416	I263-L275 HydrophobicContact CB-CB 4.48Å; I263-L275 HydrophobicContact CB-CD2 4.16Å; I263-L275 HydrophobicContact CB-CG 4.14Å; I263-L275 HydrophobicContact CG2-CD2 3.9Å; I263-L275 HydrophobicContact CG2-CG 4.44Å; I263-L275 PolarHBondContact N-O 3.13Å; C264-L275 PolarHBondContact O-N 3.27Å; L275-T336 HydrophobicContact CD1-CG2 3.64Å; L275-L338 HydrophobicContact CB-CD1 4.36Å; L275-L365 HydrophobicContact CD1-CD1 3.54Å; L275-V416 HydrophobicContact CD2-CG1 4.12Å; L275-V416 HydrophobicContact CD2-CG2 3.92Å
276	I	95.5	Very high	79.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.9	-178.5	63.9	160.7	0	0	0	112.6	L256 T260 H261 F262 E278 T336 R337 I339	L256-I276 HydrophobicContact CD2-CD1 4.28Å; T260-I276 HydrophobicContact CG2-CB 3.92Å; T260-I276 HydrophobicContact CG2-CD1 3.75Å; T260-I276 HydrophobicContact CG2-CG1 4.44Å; T260-I276 HydrophobicContact CG2-CG2 4.09Å; H261-I276 CarbonylContact O-C 3.56Å; H261-I276 VanDerWaalsContact O-CA 3.29Å; H261-I276 WeakPolarHBondContact O-CA 3.32Å; F262-I276 HydrophobicContact CD1-CG2 3.37Å; F262-I276 HydrophobicContact CE1-CG2 3.68Å; F262-I276 HydrophobicContact CG-CG2 4.23Å; I276-E278 HydrophobicContact CD1-CG 4.49Å; I276-E278 WeakPolarHBondContact CD1-OE2 3.4Å; I276-T336 WeakPolarHBondContact O-CA 3.02Å; I276-R337 HydrophobicContact CD1-CB 4.27Å; I276-R337 HydrophobicContact CG1-CB 3.92Å; I276-R337 WeakPolarHBondContact CG1-O 3.27Å; I276-R337 PolarHBondContact N-O 3.09Å; I276-R337 PolarHBondContact O-N 3.45Å; I276-I339 HydrophobicContact CD1-CD1 3.73Å; I276-I339 HydrophobicContact CD1-CG1 4.33Å; I276-I339 HydrophobicContact CG1-CD1 4.21Å; I276-I339 HydrophobicContact CG2-CD1 4.25Å
277	R	92.7	Very high	77.1	Confident	37 Å²	37	41.1 Å²	41.1	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.3	166.8	-174.7	-178	70.5	-135.6	-0.6	108.6	T260 H261 I263 P334 Y401 S402	T260-R277 CarbonylContact C-O 3.28Å; T260-R277 WeakPolarHBondContact CA-O 3.03Å; H261-R277 PolarHBondContact CD2-NH2 3.48Å; H261-R277 PolarHBondContact N-O 3.12Å; H261-R277 PolarHBondContact O-N 3.15Å; I263-R277 HydrophobicContact CD1-CB 4.16Å; R277-P334 HydrophobicContact CG-CB 4.41Å; R277-Y401 VanDerWaalsContact CZ-CZ 3.49Å; R277-Y401 PolarHBondContact NH2-OH 3.28Å; R277-S402 WeakPolarHBondContact CD-O 3.49Å; R277-S402 PolarHBondContact NH1-O 3.25Å
278	E	89.5	Confident	74.4	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.019	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.6	177.3	64.5	-179.5	-137.3	0	0	111.6	T260 I276 V335 R337 K362	T260-E278 WeakPolarHBondContact OG1-CB 3.46Å; T260-E278 PolarHBondContact OG1-OE2 3.02Å; I276-E278 HydrophobicContact CD1-CG 4.49Å; I276-E278 WeakPolarHBondContact CD1-OE2 3.4Å; E278-V335 PolarHBondContact N-O 3.27Å; E278-V335 PolarHBondContact O-N 2.86Å; E278-R337 WeakPolarHBondContact OE1-CD 3.46Å; E278-R337 IonicContact OE1-CZ 3.8Å; E278-R337 IonicContact OE1-NE 2.71Å; E278-R337 IonicContact OE1-NH1 3.43Å; E278-R337 PolarHBondContact OE1-NH1 2.83Å; E278-K362 IonicContact OE1-NZ 3.65Å; E278-K362 PolarHBondContact OE1-NZ 3.37Å; E278-K362 IonicContact OE2-NZ 2.97Å; E278-K362 PolarHBondContact OE2-NZ 3.14Å
279	L	84	Confident	71.7	Confident	37 Å²	37	48 Å²	48	19%	0.194	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.7	178.2	-62.9	178.4	0	0	0	110.6	K257 E332 P334	K257-L279 WeakPolarHBondContact CD-O 3.32Å; K257-L279 WeakPolarHBondContact CE-O 3.35Å; K257-L279 PolarHBondContact NZ-O 3.14Å; L279-E332 HydrophobicContact CB-CB 3.92Å; L279-E332 WeakPolarHBondContact CB-OE2 3.41Å; L279-E332 HydrophobicContact CD1-CB 4.47Å; L279-E332 WeakPolarHBondContact CD1-OE2 3.32Å; L279-E332 HydrophobicContact CD2-CB 4.45Å; L279-P334 HydrophobicContact CD2-CB 4.36Å
280	K	76.1	Confident	69	Low	85 Å²	85	43.6 Å²	43.6	37%	0.37	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-66.8	136.3	-179	-169.6	177	-176.8	173.3	0	111.4	T333 V335	K280-T333 PolarHBondContact N-O 2.86Å; K280-V335 HydrophobicContact CB-CG2 3.83Å; K280-V335 HydrophobicContact CD-CG2 4.19Å; K280-V335 HydrophobicContact CG-CG2 4.43Å
281	S	64.7	Low	66.1	Low	14 Å²	14	52.5 Å²	52.5	10%	0.098	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-61.8	136.7	175.7	-72.6	0	0	0	0	111	K257 T283 E450 N451	K257-S281 PolarHBondContact NZ-OG 2.73Å; S281-T283 PolarHBondContact O-N 3.06Å; S281-E450 VanDerWaalsContact CB-OE2 3.3Å; S281-E450 WeakPolarHBondContact CB-OE2 3.36Å; S281-E450 PolarHBondContact N-OE2 3.06Å; S281-E450 PolarHBondContact OG-OE2 3.32Å; S281-N451 PolarHBondContact OG-OD1 3.2Å
282	P	53.4	Low	63.1	Low	26 Å²	26	59.5 Å²	59.5	17%	0.169	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64.8	127.6	174.3	26.5	-34	0	0	0	110.1	I330	P282-I330 HydrophobicContact CB-CB 4.45Å; P282-I330 HydrophobicContact CB-CG2 3.65Å
283	T	54.2	Low	60.2	Low	73 Å²	73	61.6 Å²	61.6	45%	0.448	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60.7	156.4	-177.4	60	0	0	0	0	111.6	S281 E285 A286 R287	S281-T283 PolarHBondContact O-N 3.06Å; T283-E285 PolarHBondContact O-N 2.8Å; T283-A286 PolarHBondContact O-N 3.19Å; T283-A286 PolarHBondContact OG1-N 2.77Å; T283-R287 PolarHBondContact O-N 3.44Å
284	C	36.7	Very low	57.1	Low	89 Å²	89	69 Å²	69	60%	0.601	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-35.9	179.9	-158.3	0	0	0	0	111.7	A286 R287 I288	C284-A286 PolarHBondContact O-N 2.89Å; C284-R287 PolarHBondContact O-N 3.49Å; C284-I288 WeakPolarHBondContact O-CB 3.45Å; C284-I288 WeakPolarHBondContact O-CD1 3.45Å; C284-I288 VanDerWaalsContact O-CG1 3.22Å; C284-I288 WeakPolarHBondContact O-CG1 3.37Å; C284-I288 PolarHBondContact O-N 3.4Å
285	E	37.3	Very low	53.9	Low	145 Å²	145	73.7 Å²	73.7	68%	0.678	36%	0.361	S	S	*	.	H	α-helix	trans	-59.3	-43.8	173.5	-62.8	172.4	133.7	0	0	112.5	T283 I288 H289	T283-E285 PolarHBondContact O-N 2.8Å; E285-I288 PolarHBondContact O-N 2.79Å; E285-H289 WeakPolarHBondContact O-CB 3.49Å; E285-H289 PolarHBondContact O-N 3.23Å
286	A	35.6	Very low	50.7	Low	26 Å²	26	77.9 Å²	77.9	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-65.3	-39.3	175.8	0	0	0	0	0	111.8	T283 C284 N290 I330	T283-A286 PolarHBondContact O-N 3.19Å; T283-A286 PolarHBondContact OG1-N 2.77Å; C284-A286 PolarHBondContact O-N 2.89Å; A286-N290 PolarHBondContact O-N 2.79Å; A286-I330 HydrophobicContact CB-CD1 4.25Å; A286-I330 HydrophobicContact CB-CG2 4.01Å; A286-I330 WeakPolarHBondContact O-CD1 3.48Å
287	R	39.9	Very low	47.5	Very low	131 Å²	131	83.3 Å²	83.3	49%	0.494	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-37.8	173.7	-69.5	179.2	170.9	169.3	0	112.3	T283 C284 R291	T283-R287 PolarHBondContact O-N 3.44Å; C284-R287 PolarHBondContact O-N 3.49Å; R287-R291 PolarHBondContact O-N 2.84Å; R287-R291 VanDerWaalsContact O-N 3.12Å
288	I	39.6	Very low	44.4	Very low	84 Å²	84	85.4 Å²	85.4	43%	0.431	45%	0.448	S	S	.	.	H	α-helix	trans	-70	-47.3	177.3	-71	163.3	0	0	0	110.5	C284 E285 N290 R291 F292	C284-I288 WeakPolarHBondContact O-CB 3.45Å; C284-I288 WeakPolarHBondContact O-CD1 3.45Å; C284-I288 VanDerWaalsContact O-CG1 3.22Å; C284-I288 WeakPolarHBondContact O-CG1 3.37Å; C284-I288 PolarHBondContact O-N 3.4Å; E285-I288 PolarHBondContact O-N 2.79Å; I288-N290 VanDerWaalsContact C-N 3.3Å; I288-N290 PolarHBondContact O-N 2.85Å; I288-R291 PolarHBondContact O-N 2.93Å; I288-R291 VanDerWaalsContact O-N 3.09Å; I288-F292 HydrophobicContact CG2-CD2 3.89Å; I288-F292 HydrophobicContact CG2-CE2 3.91Å; I288-F292 WeakPolarHBondContact O-CD2 3.5Å; I288-F292 PolarHBondContact O-N 2.9Å
289	H	36.5	Very low	41.6	Very low	131 Å²	131	92.6 Å²	92.6	61%	0.606	48%	0.48	S	S	*	.	H	α-helix	trans	-55	-45.7	174	-100.5	-73.8	0	0	0	111.4	E285 R291 F292 V293	E285-H289 WeakPolarHBondContact O-CB 3.49Å; E285-H289 PolarHBondContact O-N 3.23Å; H289-R291 PolarHBondContact O-N 3.37Å; H289-F292 PolarHBondContact O-N 2.85Å; H289-V293 WeakPolarHBondContact O-CB 3.46Å; H289-V293 WeakPolarHBondContact O-CG2 3.44Å; H289-V293 PolarHBondContact O-N 2.75Å
290	N	34.3	Very low	39	Very low	22 Å²	22	94.9 Å²	94.9	12%	0.118	50%	0.504	C	S	.	.	H	α-helix	trans	-63.8	-35.8	176.6	-95.2	43	0	0	0	113.8	A286 I288 V293 Q294 S328 I330	A286-N290 PolarHBondContact O-N 2.79Å; I288-N290 VanDerWaalsContact C-N 3.3Å; I288-N290 PolarHBondContact O-N 2.85Å; N290-V293 PolarHBondContact O-N 3.22Å; N290-Q294 VanDerWaalsContact O-CB 3.32Å; N290-Q294 WeakPolarHBondContact O-CB 3.38Å; N290-Q294 WeakPolarHBondContact O-CG 3.46Å; N290-Q294 PolarHBondContact O-N 2.86Å; N290-S328 PolarHBondContact ND2-O 3.03Å; N290-S328 WeakPolarHBondContact OD1-CB 3.16Å; N290-S328 PolarHBondContact OD1-OG 2.86Å; N290-I330 HydrophobicContact CB-CD1 4Å
291	R	33.3	Very low	36.8	Very low	199 Å²	199	96.9 Å²	96.9	75%	0.751	52%	0.519	S	S	*	.	H	α-helix	trans	-62.2	-48.2	173.2	-83.7	-170.9	173.6	-174.7	-0.7	111.8	R287 I288 H289 V293 Q294 T295	R287-R291 PolarHBondContact O-N 2.84Å; R287-R291 VanDerWaalsContact O-N 3.12Å; I288-R291 PolarHBondContact O-N 2.93Å; I288-R291 VanDerWaalsContact O-N 3.09Å; H289-R291 PolarHBondContact O-N 3.37Å; R291-V293 VanDerWaalsContact C-N 3.33Å; R291-V293 PolarHBondContact O-N 2.87Å; R291-Q294 PolarHBondContact O-N 2.83Å; R291-T295 PolarHBondContact O-N 3.12Å; R291-T295 PolarHBondContact O-OG1 3.03Å; R291-T295 VanDerWaalsContact O-OG1 3.08Å
292	F	31.9	Very low	35.1	Very low	147 Å²	147	100.6 Å²	100.6	65%	0.645	54%	0.541	S	S	*	.	H	α-helix	trans	-62.2	-41	177.8	-83.8	-78.4	0	0	0	112.2	I288 H289 T295 S296	I288-F292 HydrophobicContact CG2-CD2 3.89Å; I288-F292 HydrophobicContact CG2-CE2 3.91Å; I288-F292 WeakPolarHBondContact O-CD2 3.5Å; I288-F292 PolarHBondContact O-N 2.9Å; H289-F292 PolarHBondContact O-N 2.85Å; F292-T295 CarbonylContact O-C 3.33Å; F292-T295 PolarHBondContact O-N 3.21Å; F292-T295 PolarHBondContact O-OG1 2.94Å; F292-S296 WeakPolarHBondContact O-CB 3.34Å; F292-S296 PolarHBondContact O-N 2.82Å
293	V	36.2	Very low	34	Very low	44 Å²	44	105.6 Å²	105.6	27%	0.267	57%	0.566	S	S	.	*	H	α-helix	trans	-69.7	-38.9	-179.3	168.5	0	0	0	0	112.7	H289 N290 R291 T295 S296 L327	H289-V293 WeakPolarHBondContact O-CB 3.46Å; H289-V293 WeakPolarHBondContact O-CG2 3.44Å; H289-V293 PolarHBondContact O-N 2.75Å; N290-V293 PolarHBondContact O-N 3.22Å; R291-V293 VanDerWaalsContact C-N 3.33Å; R291-V293 PolarHBondContact O-N 2.87Å; V293-T295 PolarHBondContact O-N 2.69Å; V293-S296 PolarHBondContact O-N 3.46Å; V293-S296 PolarHBondContact O-OG 2.78Å; V293-L327 HydrophobicContact CB-CD2 4.16Å; V293-L327 HydrophobicContact CG1-CB 4.23Å; V293-L327 HydrophobicContact CG1-CD2 3.65Å; V293-L327 HydrophobicContact CG2-CD2 3.38Å
294	Q	32.7	Very low	32.7	Very low	156 Å²	156	107.9 Å²	107.9	73%	0.729	58%	0.576	S	S	*	*	H	α-helix	trans	-72.1	-8.2	174.1	-72.2	-178.7	-27.6	0	0	113.3	N290 R291	N290-Q294 VanDerWaalsContact O-CB 3.32Å; N290-Q294 WeakPolarHBondContact O-CB 3.38Å; N290-Q294 WeakPolarHBondContact O-CG 3.46Å; N290-Q294 PolarHBondContact O-N 2.86Å; R291-Q294 PolarHBondContact O-N 2.83Å
295	T	31.2	Very low	32.3	Very low	98 Å²	98	110.9 Å²	110.9	60%	0.601	59%	0.591	S	S	*	*	H	α-helix	trans	-107.9	-8.9	172.4	55.9	0	0	0	0	114.3	R291 F292 V293 S297	R291-T295 PolarHBondContact O-N 3.12Å; R291-T295 PolarHBondContact O-OG1 3.03Å; R291-T295 VanDerWaalsContact O-OG1 3.08Å; F292-T295 CarbonylContact O-C 3.33Å; F292-T295 PolarHBondContact O-N 3.21Å; F292-T295 PolarHBondContact O-OG1 2.94Å; V293-T295 PolarHBondContact O-N 2.69Å; T295-S297 VanDerWaalsContact C-N 3.32Å; T295-S297 PolarHBondContact O-N 2.9Å; T295-S297 VanDerWaalsContact O-N 3.16Å
296	S	29.2	Very low	31.9	Very low	88 Å²	88	110.7 Å²	110.7	62%	0.615	59%	0.59	S	S	*	*			trans	-91.3	54.7	-176	68.4	0	0	0	0	112.8	F292 V293	F292-S296 WeakPolarHBondContact O-CB 3.34Å; F292-S296 PolarHBondContact O-N 2.82Å; V293-S296 PolarHBondContact O-N 3.46Å; V293-S296 PolarHBondContact O-OG 2.78Å
297	S	28.3	Very low	31.4	Very low	113 Å²	113	118.1 Å²	118.1	79%	0.79	62%	0.618	S	S	*	*	S	Bend	trans	-125.8	36	175.5	71.2	0	0	0	0	112.5	T295	T295-S297 VanDerWaalsContact C-N 3.32Å; T295-S297 PolarHBondContact O-N 2.9Å; T295-S297 VanDerWaalsContact O-N 3.16Å
298	S	28.2	Very low	31	Very low	82 Å²	82	117.5 Å²	117.5	57%	0.573	63%	0.633	S	S	*	*	S	Bend	trans	-160.1	151.4	175.4	54.8	0	0	0	0	109.8
299	F	30.3	Very low	30.4	Very low	155 Å²	155	118.8 Å²	118.8	68%	0.68	65%	0.65	S	S	*	*			trans	66.4	93.4	-179.3	-60.6	-83.4	0	0	0	116.1
300	A	29.1	Very low	30.1	Very low	85 Å²	85	117.6 Å²	117.6	70%	0.702	66%	0.656	S	S	*	*			trans	-92.9	138.5	133.9	0	0	0	0	0	107.6
301	D	30	Very low	29.9	Very low	127 Å²	127	121 Å²	121	68%	0.679	68%	0.682	S	S	*	*				-179	156.8	126.5	-101.4	-27	0	0	0	113.8
302	T	30.3	Very low	29.6	Very low	92 Å²	92	121.3 Å²	121.3	56%	0.564	69%	0.689	S	S	*	*			trans	60.5	111.9	159.5	50.5	0	0	0	0	121.7
303	D	29.3	Very low	29.4	Very low	130 Å²	130	119.1 Å²	119.1	70%	0.695	69%	0.692	S	S	*	*				98.8	114.2	118.5	-74.2	27.7	0	0	0	124.4
304	N	27.9	Very low	29	Very low	122 Å²	122	121.7 Å²	121.7	65%	0.652	71%	0.712	S	S	*	*			trans	67.3	96.6	130.3	-63.1	-38.8	0	0	0	122.2
305	V	28.1	Very low	28.7	Very low	152 Å²	152	119.2 Å²	119.2	92%	0.921	71%	0.712	S	S	*	*				-135.3	142.4	122.7	-177.9	0	0	0	0	108.7
306	Q	28	Very low	28.4	Very low	140 Å²	140	119.9 Å²	119.9	65%	0.654	72%	0.721	S	S	*	*			trans	-110.1	172.7	-174	-67	-177.2	-64.1	0	0	114.1
307	F	26.1	Very low	28.2	Very low	182 Å²	182	124.7 Å²	124.7	80%	0.798	73%	0.731	S	S	*	*			trans	80.8	145	162.4	-59.7	-73.4	0	0	0	118.1
308	S	29.6	Very low	28.1	Very low	118 Å²	118	125 Å²	125	83%	0.825	73%	0.733	S	S	*	*			cis	-128.9	167.9	2.1	61.7	0	0	0	0	112.9
309	S	28.4	Very low	27.9	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	75%	0.745	S	S	*	*			trans	-139.9	138.9	-160	58.8	0	0	0	0	115.4
310	S	30.6	Very low	27.6	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	73%	0.729	S	S	*	*			trans	-157.8	111.9	152.1	41.2	0	0	0	0	108.3
311	S	29.6	Very low	27.6	Very low	95 Å²	95	124.7 Å²	124.7	66%	0.664	72%	0.721	S	S	*	*				63	126.8	73.8	75	0	0	0	0	113
312	F	26.6	Very low	27.5	Very low	205 Å²	205	124.8 Å²	124.8	90%	0.899	73%	0.726	S	S	*	*			cis	-168.9	170.6	3.9	-114.6	-23.2	0	0	0	110
313	S	28.1	Very low	27.3	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	74%	0.739	S	S	*	*			cis	-150.1	-98.8	-1.7	51.5	0	0	0	0	114.1
314	S	27.5	Very low	27	Very low	98 Å²	98	128.9 Å²	128.9	69%	0.685	74%	0.74	S	S	*	*			trans	-120.3	150.7	-162.9	51.2	0	0	0	0	112.1
315	S	25.8	Very low	26.9	Very low	104 Å²	104	128 Å²	128	73%	0.727	74%	0.739	S	S	*	*				-166.1	152.2	66.8	37.5	0	0	0	0	115.3
316	S	25.4	Very low	26.8	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	74%	0.735	S	S	*	*			trans	40.1	86.4	161.5	58.1	0	0	0	0	118.8
317	F	25.8	Very low	26.7	Very low	188 Å²	188	126.7 Å²	126.7	83%	0.825	73%	0.729	S	S	*	*			trans	-135.9	121.9	151.7	-124.4	-89.1	0	0	0	109.7	K319	F317-K319 PolarHBondContact O-N 2.63Å
318	S	24.7	Very low	26.7	Very low	120 Å²	120	120.1 Å²	120.1	84%	0.839	71%	0.706	S	S	*	*			trans	-79.1	63.8	-174.3	41.1	0	0	0	0	112.8	S320	S318-S320 PolarHBondContact O-N 3.32Å
319	K	25.1	Very low	26.7	Very low	192 Å²	192	119 Å²	119	84%	0.835	70%	0.698	S	S	*	*			trans	-67.7	94.9	170.8	-75.1	-174.4	175.5	-179.5	0	110.6	F317 S321	F317-K319 PolarHBondContact O-N 2.63Å; K319-S321 PolarHBondContact O-N 2.03Å
320	S	24.6	Very low	27.1	Very low	49 Å²	49	116.5 Å²	116.5	34%	0.343	68%	0.675	S	S	.	*			trans	-75.3	108.4	172.8	49.7	0	0	0	0	112	S318 T322 K1434	S318-S320 PolarHBondContact O-N 3.32Å; S320-T322 PolarHBondContact O-N 3.2Å; S320-K1434 PolarHBondContact O-NZ 3.09Å
321	S	28.3	Very low	27.9	Very low	74 Å²	74	115.1 Å²	115.1	52%	0.517	66%	0.659	S	S	.	*			trans	50.1	66.1	141.8	46.3	0	0	0	0	115.8	K319 Q1433	K319-S321 PolarHBondContact O-N 2.03Å; S321-Q1433 PolarHBondContact OG-OE1 2.71Å
322	T	28.6	Very low	29.4	Very low	129 Å²	129	114.9 Å²	114.9	79%	0.791	65%	0.648	S	S	*	*			trans	-74.9	114.2	157.9	48.2	0	0	0	0	110.6	S320	S320-T322 PolarHBondContact O-N 3.2Å
323	K	24.3	Very low	31.6	Very low	192 Å²	192	108.3 Å²	108.3	84%	0.835	63%	0.625	S	S	*	*			trans	168.8	155.2	141.5	-95.6	164.9	179.8	-175.6	0	112.2
324	T	24.7	Very low	34.2	Very low	117 Å²	117	105 Å²	105	72%	0.718	60%	0.601	S	S	*	*			trans	56.4	71.9	160.5	32.2	0	0	0	0	118.9	L327	T324-L327 HydrophobicContact CG2-CD1 4.17Å
325	T	24.3	Very low	37.1	Very low	103 Å²	103	101.4 Å²	101.4	63%	0.632	57%	0.574	S	S	*	*	S	Bend	trans	-144.6	25.1	145.1	-27.7	0	0	0	0	112.7
326	I	27.1	Very low	40.3	Very low	163 Å²	163	96.5 Å²	96.5	84%	0.836	54%	0.54	S	S	*	.			trans	-127.2	72.2	174	-49.2	178.2	0	0	0	108.3
327	L	25.3	Very low	43.6	Very low	101 Å²	101	91.8 Å²	91.8	53%	0.529	51%	0.505	S	S	.	.			trans	-125.6	101.2	165.3	-90.9	97.7	0	0	0	111.3	V293 T324	V293-L327 HydrophobicContact CB-CD2 4.16Å; V293-L327 HydrophobicContact CG1-CB 4.23Å; V293-L327 HydrophobicContact CG1-CD2 3.65Å; V293-L327 HydrophobicContact CG2-CD2 3.38Å; T324-L327 HydrophobicContact CG2-CD1 4.17Å
328	S	26.4	Very low	47	Very low	45 Å²	45	82.8 Å²	82.8	32%	0.315	47%	0.466	S	S	.	.			trans	54.5	64	135.4	61.9	0	0	0	0	118.5	N290 I330	N290-S328 PolarHBondContact ND2-O 3.03Å; N290-S328 WeakPolarHBondContact OD1-CB 3.16Å; N290-S328 PolarHBondContact OD1-OG 2.86Å; S328-I330 PolarHBondContact O-N 2.96Å
329	S	29	Very low	50.5	Low	95 Å²	95	77.1 Å²	77.1	66%	0.664	43%	0.426	S	S	*	.				-57.2	117	118.8	58	0	0	0	0	107.1	N331	S329-N331 VanDerWaalsContact CB-OD1 3.25Å; S329-N331 WeakPolarHBondContact CB-OD1 3.31Å; S329-N331 PolarHBondContact O-N 3.08Å; S329-N331 PolarHBondContact O-OD1 3.4Å; S329-N331 VanDerWaalsContact O-OD1 3.09Å; S329-N331 PolarHBondContact OG-OD1 3.19Å
330	I	38.3	Very low	53.8	Low	58 Å²	58	68.1 Å²	68.1	30%	0.297	39%	0.387	S	S	.	.			trans	-77.7	74.7	-179.1	-46.3	172.1	0	0	0	107.6	P282 A286 N290 S328 E332	P282-I330 HydrophobicContact CB-CB 4.45Å; P282-I330 HydrophobicContact CB-CG2 3.65Å; A286-I330 HydrophobicContact CB-CD1 4.25Å; A286-I330 HydrophobicContact CB-CG2 4.01Å; A286-I330 WeakPolarHBondContact O-CD1 3.48Å; N290-I330 HydrophobicContact CB-CD1 4Å; S328-I330 PolarHBondContact O-N 2.96Å; I330-E332 PolarHBondContact O-N 2.53Å
331	N	47.4	Very low	57.2	Low	76 Å²	76	65.8 Å²	65.8	41%	0.406	37%	0.371	S	S	.	.			trans	-61.7	108.3	-176.3	-67.4	22	0	0	0	109.2	S329 T333	S329-N331 VanDerWaalsContact CB-OD1 3.25Å; S329-N331 WeakPolarHBondContact CB-OD1 3.31Å; S329-N331 PolarHBondContact O-N 3.08Å; S329-N331 PolarHBondContact O-OD1 3.4Å; S329-N331 VanDerWaalsContact O-OD1 3.09Å; S329-N331 PolarHBondContact OG-OD1 3.19Å; N331-T333 PolarHBondContact O-N 2.83Å
332	E	60.7	Low	60.4	Low	91 Å²	91	62.3 Å²	62.3	43%	0.425	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-55.4	126.3	175.7	-50.4	-171.1	137.1	0	0	109.2	L279 I330	L279-E332 HydrophobicContact CB-CB 3.92Å; L279-E332 WeakPolarHBondContact CB-OE2 3.41Å; L279-E332 HydrophobicContact CD1-CB 4.47Å; L279-E332 WeakPolarHBondContact CD1-OE2 3.32Å; L279-E332 HydrophobicContact CD2-CB 4.45Å; I330-E332 PolarHBondContact O-N 2.53Å
333	T	71.4	Confident	63.6	Low	67 Å²	67	57 Å²	57	41%	0.411	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-83.4	131.4	-179.1	52.6	0	0	0	0	109.7	K280 N331 V335	K280-T333 PolarHBondContact N-O 2.86Å; N331-T333 PolarHBondContact O-N 2.83Å; T333-V335 PolarHBondContact O-N 3.18Å
334	P	83.8	Confident	66.8	Low	31 Å²	31	50.6 Å²	50.6	20%	0.201	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	131.9	169.1	28.2	-33.9	0	0	0	109.3	R277 L279 Y401	R277-P334 HydrophobicContact CG-CB 4.41Å; L279-P334 HydrophobicContact CD2-CB 4.36Å; P334-Y401 HydrophobicContact CB-CD2 3.89Å; P334-Y401 HydrophobicContact CG-CD2 3.99Å
335	V	88.3	Confident	70	Confident	22 Å²	22	45.2 Å²	45.2	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.5	177.2	173.6	0	0	0	0	108.6	E278 K280 T333 R337 T364	E278-V335 PolarHBondContact N-O 3.27Å; E278-V335 PolarHBondContact O-N 2.86Å; K280-V335 HydrophobicContact CB-CG2 3.83Å; K280-V335 HydrophobicContact CD-CG2 4.19Å; K280-V335 HydrophobicContact CG-CG2 4.43Å; T333-V335 PolarHBondContact O-N 3.18Å; V335-R337 HydrophobicContact CG1-CG 4.09Å; V335-T364 HydrophobicContact CG1-CG2 3.76Å
336	T	93.9	Very high	73.1	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.6	175.5	-59.3	0	0	0	0	109.3	L275 I276 L365 G400 S402 Y418	L275-T336 HydrophobicContact CD1-CG2 3.64Å; I276-T336 WeakPolarHBondContact O-CA 3.02Å; T336-L365 HydrophobicContact CG2-CB 4.18Å; T336-L365 HydrophobicContact CG2-CD1 4.17Å; T336-L365 HydrophobicContact CG2-CG 4.43Å; T336-L365 PolarHBondContact O-N 3.03Å; T336-G400 PolarHBondContact OG1-O 2.92Å; T336-S402 VanDerWaalsContact CG2-OG 3.26Å; T336-S402 WeakPolarHBondContact CG2-OG 3.42Å; T336-S402 VanDerWaalsContact OG1-CB 3.26Å; T336-S402 WeakPolarHBondContact OG1-CB 3.28Å; T336-S402 PolarHBondContact OG1-N 3.26Å; T336-S402 PolarHBondContact OG1-OG 2.81Å; T336-Y418 HydrophobicContact CG2-CE1 3.96Å; T336-Y418 WeakPolarHBondContact OG1-CE1 3.39Å
337	R	94.6	Very high	76.1	Confident	12 Å²	12	35.4 Å²	35.4	5%	0.045	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.3	-179.6	-65.9	-173	162.4	158	-3	110.2	I276 E278 V335 V363 E450	I276-R337 HydrophobicContact CD1-CB 4.27Å; I276-R337 HydrophobicContact CG1-CB 3.92Å; I276-R337 WeakPolarHBondContact CG1-O 3.27Å; I276-R337 PolarHBondContact N-O 3.09Å; I276-R337 PolarHBondContact O-N 3.45Å; E278-R337 WeakPolarHBondContact OE1-CD 3.46Å; E278-R337 IonicContact OE1-CZ 3.8Å; E278-R337 IonicContact OE1-NE 2.71Å; E278-R337 IonicContact OE1-NH1 3.43Å; E278-R337 PolarHBondContact OE1-NH1 2.83Å; V335-R337 HydrophobicContact CG1-CG 4.09Å; R337-V363 CarbonylContact C-O 3.59Å; R337-V363 VanDerWaalsContact CA-O 3.24Å; R337-V363 WeakPolarHBondContact CA-O 3.23Å; R337-V363 WeakPolarHBondContact CB-O 3.12Å; R337-E450 IonicContact CZ-OE1 2.73Å; R337-E450 IonicContact NH1-OE1 3.32Å; R337-E450 IonicContact NH2-OE1 3.98Å; R337-E450 PolarHBondContact NH2-OE1 3.03Å
338	L	96.7	Very high	79	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.5	169.2	-171.9	67.4	0	0	0	107.3	F266 Y273 L275 K362 V363 L365 L414 I438 F442	F266-L338 HydrophobicContact CE1-CD1 3.91Å; F266-L338 HydrophobicContact CZ-CD1 4.19Å; F266-L338 HydrophobicContact CZ-CD2 4.48Å; Y273-L338 HydrophobicContact CD1-CD1 4.41Å; Y273-L338 HydrophobicContact CD1-CD2 4.01Å; Y273-L338 HydrophobicContact CD1-CG 4.03Å; Y273-L338 HydrophobicContact CE1-CD2 4.49Å; L275-L338 HydrophobicContact CB-CD1 4.36Å; L338-K362 WeakPolarHBondContact O-CA 3.47Å; L338-V363 HydrophobicContact CB-CG1 3.88Å; L338-V363 PolarHBondContact N-O 3.24Å; L338-V363 PolarHBondContact O-N 2.93Å; L338-L365 HydrophobicContact CB-CD1 4.47Å; L338-L365 HydrophobicContact CB-CD2 4Å; L338-L365 HydrophobicContact CB-CG 4.16Å; L338-L365 HydrophobicContact CD2-CD2 4.32Å; L338-L414 HydrophobicContact CD1-CD2 4.2Å; L338-L414 HydrophobicContact CD2-CD2 4.36Å; L338-I438 HydrophobicContact CD2-CD1 4.06Å; L338-I438 HydrophobicContact CD2-CG1 4.19Å; L338-I438 HydrophobicContact CD2-CG2 3.65Å; L338-F442 HydrophobicContact CD2-CE2 4.11Å; L338-F442 HydrophobicContact CG-CE2 4.33Å; L338-F442 HydrophobicContact CG-CZ 4.42Å; L338-F442 WeakPolarHBondContact O-CZ 3.46Å
339	I	96.7	Very high	81.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.1	172.2	-69.6	161.5	0	0	0	108.2	I229 L256 Y273 F274 I276 I341 F360 S361 K362	I229-I339 HydrophobicContact CD1-CD1 4.04Å; I229-I339 HydrophobicContact CD1-CG2 4.43Å; L256-I339 HydrophobicContact CD2-CD1 3.87Å; Y273-I339 WeakPolarHBondContact CA-O 2.57Å; Y273-I339 WeakPolarHBondContact CD1-O 3.02Å; F274-I339 HydrophobicContact CB-CB 4.24Å; F274-I339 PolarHBondContact N-O 2.83Å; F274-I339 VanDerWaalsContact N-O 3.08Å; F274-I339 PolarHBondContact O-N 2.93Å; I276-I339 HydrophobicContact CD1-CD1 3.73Å; I276-I339 HydrophobicContact CD1-CG1 4.33Å; I276-I339 HydrophobicContact CG1-CD1 4.21Å; I276-I339 HydrophobicContact CG2-CD1 4.25Å; I339-I341 HydrophobicContact CG2-CD1 4.46Å; I339-I341 HydrophobicContact CG2-CG1 4.16Å; I339-F360 HydrophobicContact CD1-CE2 3.94Å; I339-F360 HydrophobicContact CD1-CZ 3.76Å; I339-F360 HydrophobicContact CG1-CE2 4.29Å; I339-F360 HydrophobicContact CG1-CZ 3.99Å; I339-F360 HydrophobicContact CG2-CD2 3.85Å; I339-F360 HydrophobicContact CG2-CE2 3.63Å; I339-F360 HydrophobicContact CG2-CG 4.45Å; I339-F360 HydrophobicContact CG2-CZ 4.06Å; I339-S361 CarbonylContact C-O 3.57Å; I339-S361 VanDerWaalsContact CA-O 3.27Å; I339-S361 WeakPolarHBondContact CA-O 3.24Å; I339-K362 HydrophobicContact CG1-CG 3.77Å
340	R	96.4	Very high	84.1	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.9	165.9	-171.5	178.6	71.3	178.6	1.3	110.1	Y273 F360 S361 E439 F442	Y273-R340 HydrophobicContact CD1-CB 3.93Å; Y273-R340 HydrophobicContact CD1-CG 4.09Å; Y273-R340 HydrophobicContact CE1-CB 3.64Å; Y273-R340 HydrophobicContact CE1-CG 3.52Å; Y273-R340 HydrophobicContact CE2-CG 4.5Å; Y273-R340 VanDerWaalsContact OH-CD 3.24Å; Y273-R340 WeakPolarHBondContact OH-CD 3.34Å; R340-F360 WeakPolarHBondContact O-CA 3.48Å; R340-S361 PolarHBondContact N-O 3.49Å; R340-S361 PolarHBondContact O-N 2.83Å; R340-S361 PolarHBondContact O-OG 3.12Å; R340-E439 IonicContact CZ-OE2 3.88Å; R340-E439 IonicContact NH1-OE2 2.73Å; R340-E439 PolarHBondContact NH1-OE2 2.87Å; R340-F442 HydrophobicContact CB-CD1 3.88Å; R340-F442 HydrophobicContact CB-CD2 4.22Å; R340-F442 HydrophobicContact CB-CE1 3.5Å; R340-F442 HydrophobicContact CB-CE2 3.88Å; R340-F442 HydrophobicContact CB-CG 4.22Å; R340-F442 HydrophobicContact CB-CZ 3.49Å; R340-F442 VanDerWaalsContact CB-CZ 3.49Å; R340-F442 VanDerWaalsContact CZ-CB 3.48Å
341	I	95.7	Very high	85.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135	169.4	-63.4	170.7	0	0	0	106.3	I229 S271 V272 F274 I339 F357 F360	I229-I341 HydrophobicContact CD1-CD1 4.4Å; I229-I341 HydrophobicContact CG2-CD1 4.04Å; S271-I341 CarbonylContact C-O 3.58Å; S271-I341 WeakPolarHBondContact CA-O 2.97Å; V272-I341 PolarHBondContact N-O 3.27Å; V272-I341 PolarHBondContact O-N 3.49Å; F274-I341 HydrophobicContact CE2-CD1 4.36Å; I339-I341 HydrophobicContact CG2-CD1 4.46Å; I339-I341 HydrophobicContact CG2-CG1 4.16Å; I341-F357 HydrophobicContact CD1-CD1 4.34Å; I341-F357 HydrophobicContact CD1-CD2 4.25Å; I341-F357 HydrophobicContact CD1-CE1 4.18Å; I341-F357 HydrophobicContact CD1-CE2 4.09Å; I341-F357 HydrophobicContact CD1-CG 4.37Å; I341-F357 HydrophobicContact CD1-CZ 4.04Å; I341-F357 HydrophobicContact CG2-CD1 3.56Å; I341-F357 HydrophobicContact CG2-CE1 3.6Å; I341-F357 HydrophobicContact CG2-CG 4.39Å; I341-F357 HydrophobicContact CG2-CZ 4.45Å; I341-F360 HydrophobicContact CD1-CD2 4.1Å; I341-F360 HydrophobicContact CG1-CB 4.44Å; I341-F360 HydrophobicContact CG1-CD2 4.12Å
342	C	95.4	Very high	87.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.6	174.3	-50.3	0	0	0	0	110.1	S344 D345 T359 C466 L469	C342-S344 VanDerWaalsContact C-N 3.32Å; C342-S344 PolarHBondContact O-N 2.93Å; C342-D345 WeakPolarHBondContact O-CB 3.34Å; C342-D345 PolarHBondContact O-N 2.97Å; C342-D345 VanDerWaalsContact O-N 3.14Å; C342-T359 HydrophobicContact CB-CG2 3.91Å; C342-T359 PolarHBondContact N-OG1 2.9Å; C342-T359 WeakPolarHBondContact SG-CB 3.34Å; C342-C466 WeakPolarHBondContact CA-SG 3.39Å; C342-C466 HydrophobicContact CB-CB 3.61Å; C342-C466 WeakPolarHBondContact CB-SG 3.34Å; C342-C466 WeakPolarHBondContact SG-CA 3.32Å; C342-C466 WeakPolarHBondContact SG-CB 3.03Å; C342-C466 CovalentContact SG-SG 2.03Å; C342-C466 PolarHBondContact SG-SG 3.39Å; C342-L469 HydrophobicContact CB-CD1 4.15Å
343	K	94.4	Very high	88.1	Confident	17 Å²	17	34.8 Å²	34.8	7%	0.074	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-46.3	174.7	-71.9	176.4	168.9	176.5	0	111	S213 D214 R231 E267 T268 D270 V272 D345	S213-K343 PolarHBondContact OG-NZ 2.86Å; D214-K343 HydrophobicContact CB-CD 4.47Å; R231-K343 PolarHBondContact NH1-O 3.1Å; E267-K343 IonicContact OE1-NZ 3.21Å; E267-K343 PolarHBondContact OE1-NZ 2.83Å; E267-K343 WeakPolarHBondContact OE2-CE 3.23Å; E267-K343 IonicContact OE2-NZ 3.46Å; E267-K343 PolarHBondContact OE2-NZ 2.69Å; T268-K343 PolarHBondContact O-NZ 2.66Å; D270-K343 PolarHBondContact O-N 3.45Å; V272-K343 HydrophobicContact CG2-CG 3.95Å; K343-D345 PolarHBondContact O-N 2.85Å
344	S	92.2	Very high	88.1	Confident	57 Å²	57	36.3 Å²	36.3	40%	0.399	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	32.7	173.3	-49.9	0	0	0	0	114.1	C342 P346	C342-S344 VanDerWaalsContact C-N 3.32Å; C342-S344 PolarHBondContact O-N 2.93Å; S344-P346 WeakPolarHBondContact O-CD 3.39Å
345	D	92.8	Very high	88.1	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.189	C	C	.	.			trans	-62.5	119.1	171.9	-168.4	-45.9	0	0	0	109.8	R231 L247 C342 K343 G347 F357 V358 T359	R231-D345 PolarHBondContact NH1-O 2.78Å; R231-D345 PolarHBondContact NH2-O 2.72Å; R231-D345 VanDerWaalsContact NH2-O 3.17Å; L247-D345 HydrophobicContact CD1-CB 3.86Å; L247-D345 WeakPolarHBondContact CD1-OD1 3.49Å; C342-D345 WeakPolarHBondContact O-CB 3.34Å; C342-D345 PolarHBondContact O-N 2.97Å; C342-D345 VanDerWaalsContact O-N 3.14Å; K343-D345 PolarHBondContact O-N 2.85Å; D345-G347 VanDerWaalsContact C-N 3.27Å; D345-G347 PolarHBondContact O-N 3.1Å; D345-G347 PolarHBondContact OD1-N 2.88Å; D345-F357 HydrophobicContact CB-CD1 4.4Å; D345-V358 WeakPolarHBondContact OD1-CG2 3.43Å; D345-V358 PolarHBondContact OD1-N 2.99Å; D345-V358 PolarHBondContact OD2-N 3.24Å; D345-T359 HydrophobicContact CB-CG2 4.06Å; D345-T359 VanDerWaalsContact OD2-CB 3.3Å; D345-T359 WeakPolarHBondContact OD2-CB 3.13Å; D345-T359 WeakPolarHBondContact OD2-CG2 3.46Å; D345-T359 PolarHBondContact OD2-N 3.47Å; D345-T359 PolarHBondContact OD2-OG1 3.45Å
346	P	89.1	Confident	88.3	Confident	59 Å²	59	37.2 Å²	37.2	38%	0.383	19%	0.191	S	C	.	.			trans	-80.8	-5.1	-175.1	34.6	-37	0	0	0	113.5	S344 V358 L469 I479	S344-P346 WeakPolarHBondContact O-CD 3.39Å; P346-V358 HydrophobicContact CG-CG2 3.89Å; P346-L469 HydrophobicContact CG-CD2 4.47Å; P346-I479 HydrophobicContact CG-CG2 4.04Å
347	G	89.2	Confident	88.2	Confident	2 Å²	2	37.3 Å²	37.3	2%	0.021	19%	0.192	C	C	.	.			trans	75.3	175.3	-172.2	0	0	0	0	0	114.1	D345 E356 V358 R483	D345-G347 VanDerWaalsContact C-N 3.27Å; D345-G347 PolarHBondContact O-N 3.1Å; D345-G347 PolarHBondContact OD1-N 2.88Å; G347-E356 WeakPolarHBondContact CA-O 3.48Å; G347-V358 WeakPolarHBondContact O-CG2 3.37Å; G347-R483 PolarHBondContact O-NE 2.82Å
348	G	86.2	Confident	88.1	Confident	5 Å²	5	36.9 Å²	36.9	5%	0.052	19%	0.19	C	C	.	.	S	Bend	trans	-67.9	-166.1	177.2	0	0	0	0	0	114.8	N353 E356 R483	G348-N353 VanDerWaalsContact CA-O 3.27Å; G348-N353 WeakPolarHBondContact CA-O 3.48Å; G348-N353 WeakPolarHBondContact CA-OD1 3.47Å; G348-N353 PolarHBondContact N-O 3Å; G348-E356 PolarHBondContact N-O 3.26Å; G348-R483 PolarHBondContact O-NE 2.82Å
349	Y	83.4	Confident	87.9	Confident	63 Å²	63	37.4 Å²	37.4	25%	0.247	19%	0.194	C	C	.	.			trans	-76.2	138.9	172.7	-66.6	-90.2	0	0	0	109.8	Y351 V352 N353 E354 D480 R483	Y349-Y351 PolarHBondContact O-N 3.04Å; Y349-V352 PolarHBondContact O-N 2.68Å; Y349-V352 VanDerWaalsContact O-N 3.1Å; Y349-N353 PolarHBondContact N-OD1 3.01Å; Y349-N353 CarbonylContact O-C 3.55Å; Y349-N353 PolarHBondContact O-N 2.88Å; Y349-E354 PolarHBondContact O-N 3.29Å; Y349-E354 VanDerWaalsContact O-N 3.1Å; Y349-D480 HydrophobicContact CE1-CB 4.36Å; Y349-D480 WeakPolarHBondContact CE1-OD1 3.35Å; Y349-D480 WeakPolarHBondContact OH-CA 3.35Å; Y349-D480 VanDerWaalsContact OH-CB 3.24Å; Y349-D480 WeakPolarHBondContact OH-CB 3.26Å; Y349-D480 PolarHBondContact OH-O 3.37Å; Y349-R483 HydrophobicContact CD2-CB 4.03Å; Y349-R483 HydrophobicContact CD2-CG 4.44Å; Y349-R483 HydrophobicContact CE2-CB 3.42Å; Y349-R483 VanDerWaalsContact CE2-CB 3.42Å; Y349-R483 HydrophobicContact CE2-CG 4.14Å
350	Q	78.9	Confident	87.8	Confident	115 Å²	115	37.6 Å²	37.6	54%	0.537	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	138.4	175.1	-151.8	-177.4	12.6	0	0	110.8	V352 E354	Q350-V352 PolarHBondContact O-N 3.01Å; Q350-E354 WeakPolarHBondContact CA-OE2 3.46Å; Q350-E354 HydrophobicContact CG-CG 4.3Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.06Å; Q350-E354 WeakPolarHBondContact CG-OE2 3.32Å
351	Y	76	Confident	87.6	Confident	187 Å²	187	37.5 Å²	37.5	73%	0.733	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-9.7	-175.8	-44.3	-75.2	0	0	0	117.5	Y349 E354	Y349-Y351 PolarHBondContact O-N 3.04Å; Y351-E354 PolarHBondContact N-OE2 2.79Å
352	V	76.1	Confident	87.5	Confident	69 Å²	69	37.7 Å²	37.7	42%	0.418	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-47.6	-179	-180	0	0	0	0	111.6	Y349 Q350	Y349-V352 PolarHBondContact O-N 2.68Å; Y349-V352 VanDerWaalsContact O-N 3.1Å; Q350-V352 PolarHBondContact O-N 3.01Å
353	N	78.4	Confident	87.5	Confident	14 Å²	14	37.6 Å²	37.6	8%	0.075	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-157.2	38.3	176.3	68	-36.1	0	0	0	112.7	G348 Y349 G355 E356	G348-N353 VanDerWaalsContact CA-O 3.27Å; G348-N353 WeakPolarHBondContact CA-O 3.48Å; G348-N353 WeakPolarHBondContact CA-OD1 3.47Å; G348-N353 PolarHBondContact N-O 3Å; Y349-N353 PolarHBondContact N-OD1 3.01Å; Y349-N353 CarbonylContact O-C 3.55Å; Y349-N353 PolarHBondContact O-N 2.88Å; N353-G355 PolarHBondContact O-N 3.47Å; N353-E356 HydrophobicContact CB-CB 4.06Å; N353-E356 VanDerWaalsContact CB-CD 3.47Å; N353-E356 HydrophobicContact CB-CG 3.86Å; N353-E356 WeakPolarHBondContact CB-OE2 3.37Å; N353-E356 PolarHBondContact ND2-OE2 3.47Å; N353-E356 WeakPolarHBondContact O-CB 3.48Å; N353-E356 PolarHBondContact O-N 3.22Å
354	E	71.6	Confident	87.5	Confident	99 Å²	99	37.6 Å²	37.6	46%	0.463	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.8	-176.8	-165.1	169	168.2	0	0	114.6	Y349 Q350 Y351	Y349-E354 PolarHBondContact O-N 3.29Å; Y349-E354 VanDerWaalsContact O-N 3.1Å; Q350-E354 WeakPolarHBondContact CA-OE2 3.46Å; Q350-E354 HydrophobicContact CG-CG 4.3Å; Q350-E354 WeakPolarHBondContact CG-OE1 3.06Å; Q350-E354 WeakPolarHBondContact CG-OE2 3.32Å; Y351-E354 PolarHBondContact N-OE2 2.79Å
355	G	84.6	Confident	87.7	Confident	33 Å²	33	35.1 Å²	35.1	34%	0.34	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	12.9	175.1	0	0	0	0	0	115.6	L247 A248 N353	L247-G355 CarbonylContact C-O 3.56Å; L247-G355 WeakPolarHBondContact CA-O 3.3Å; A248-G355 PolarHBondContact N-O 2.83Å; N353-G355 PolarHBondContact O-N 3.47Å
356	E	91.4	Very high	87.6	Confident	38 Å²	38	36.6 Å²	36.6	18%	0.178	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-99.9	139.8	175.7	-69.8	-178.8	-176.6	0	0	112.4	A248 P250 G347 G348 N353 R487	A248-E356 WeakPolarHBondContact O-CA 3.47Å; P250-E356 HydrophobicContact CG-CG 4.02Å; G347-E356 WeakPolarHBondContact CA-O 3.48Å; G348-E356 PolarHBondContact N-O 3.26Å; N353-E356 HydrophobicContact CB-CB 4.06Å; N353-E356 VanDerWaalsContact CB-CD 3.47Å; N353-E356 HydrophobicContact CB-CG 3.86Å; N353-E356 WeakPolarHBondContact CB-OE2 3.37Å; N353-E356 PolarHBondContact ND2-OE2 3.47Å; N353-E356 WeakPolarHBondContact O-CB 3.48Å; N353-E356 PolarHBondContact O-N 3.22Å; E356-R487 IonicContact OE1-CZ 3.64Å; E356-R487 IonicContact OE1-NH2 2.72Å; E356-R487 PolarHBondContact OE1-NH2 3.49Å; E356-R487 IonicContact OE2-CZ 2.74Å; E356-R487 IonicContact OE2-NE 3.64Å; E356-R487 PolarHBondContact OE2-NE 3.21Å; E356-R487 IonicContact OE2-NH2 3.99Å; E356-R487 PolarHBondContact OE2-NH2 3.34Å
357	F	93	Very high	87.8	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.018	17%	0.167	C	C	.	.			trans	-62.1	133.5	166.8	-67.3	-73.3	0	0	0	111.8	I229 R231 L247 A248 T249 I341 D345 F360	I229-F357 HydrophobicContact CG2-CE2 4.21Å; I229-F357 HydrophobicContact CG2-CZ 4.45Å; R231-F357 HydrophobicContact CB-CE1 3.74Å; R231-F357 HydrophobicContact CB-CZ 3.63Å; L247-F357 HydrophobicContact CB-CD1 3.68Å; L247-F357 HydrophobicContact CB-CD2 4.3Å; L247-F357 HydrophobicContact CB-CE1 3.59Å; L247-F357 HydrophobicContact CB-CE2 4.22Å; L247-F357 HydrophobicContact CB-CG 4.05Å; L247-F357 HydrophobicContact CB-CZ 3.89Å; L247-F357 HydrophobicContact CD1-CD1 3.58Å; L247-F357 HydrophobicContact CD1-CE1 3.94Å; L247-F357 HydrophobicContact CD1-CG 4.37Å; L247-F357 HydrophobicContact CG-CD1 4.3Å; L247-F357 HydrophobicContact CG-CE1 4.41Å; A248-F357 WeakPolarHBondContact O-CD2 3.46Å; A248-F357 PolarHBondContact O-N 3.2Å; T249-F357 HydrophobicContact CG2-CD2 4Å; T249-F357 HydrophobicContact CG2-CE2 4.36Å; I341-F357 HydrophobicContact CD1-CD1 4.34Å; I341-F357 HydrophobicContact CD1-CD2 4.25Å; I341-F357 HydrophobicContact CD1-CE1 4.18Å; I341-F357 HydrophobicContact CD1-CE2 4.09Å; I341-F357 HydrophobicContact CD1-CG 4.37Å; I341-F357 HydrophobicContact CD1-CZ 4.04Å; I341-F357 HydrophobicContact CG2-CD1 3.56Å; I341-F357 HydrophobicContact CG2-CE1 3.6Å; I341-F357 HydrophobicContact CG2-CG 4.39Å; I341-F357 HydrophobicContact CG2-CZ 4.45Å; D345-F357 HydrophobicContact CB-CD1 4.4Å; F357-F360 HydrophobicContact CB-CB 4.07Å
358	V	91.3	Very high	87.7	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.018	18%	0.176	C	C	.	.	S	Bend	trans	-109.3	-7.8	175.5	-66.3	0	0	0	0	114.8	D345 P346 G347 R483 P486	D345-V358 WeakPolarHBondContact OD1-CG2 3.43Å; D345-V358 PolarHBondContact OD1-N 2.99Å; D345-V358 PolarHBondContact OD2-N 3.24Å; P346-V358 HydrophobicContact CG-CG2 3.89Å; G347-V358 WeakPolarHBondContact O-CG2 3.37Å; V358-R483 HydrophobicContact CB-CG 4.35Å; V358-R483 HydrophobicContact CG1-CB 4.22Å; V358-R483 HydrophobicContact CG1-CG 4.05Å; V358-R483 HydrophobicContact CG2-CG 4.25Å; V358-P486 WeakPolarHBondContact O-CG 3.37Å
359	T	93.3	Very high	87.5	Confident	12 Å²	12	37.7 Å²	37.7	7%	0.074	18%	0.182	C	C	.	.	S	Bend	trans	-99.2	-6.6	176.1	66.8	0	0	0	0	113.7	C342 D345 S361 L469	C342-T359 HydrophobicContact CB-CG2 3.91Å; C342-T359 PolarHBondContact N-OG1 2.9Å; C342-T359 WeakPolarHBondContact SG-CB 3.34Å; D345-T359 HydrophobicContact CB-CG2 4.06Å; D345-T359 VanDerWaalsContact OD2-CB 3.3Å; D345-T359 WeakPolarHBondContact OD2-CB 3.13Å; D345-T359 WeakPolarHBondContact OD2-CG2 3.46Å; D345-T359 PolarHBondContact OD2-N 3.47Å; D345-T359 PolarHBondContact OD2-OG1 3.45Å; T359-S361 PolarHBondContact O-N 2.8Å; T359-S361 PolarHBondContact O-OG 3.16Å; T359-L469 HydrophobicContact CG2-CD1 3.52Å
360	F	94	Very high	87.1	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.013	19%	0.193	C	C	.	.			trans	-53.5	121.8	179.3	-177.4	-74.6	0	0	0	110.9	I229 T249 F255 L256 I339 R340 I341 F357 K362 L490	I229-F360 HydrophobicContact CD1-CE2 4.17Å; T249-F360 HydrophobicContact CG2-CD2 3.63Å; T249-F360 HydrophobicContact CG2-CE2 3.5Å; T249-F360 VanDerWaalsContact CG2-CE2 3.5Å; T249-F360 HydrophobicContact CG2-CZ 4.45Å; F255-F360 AromaticContact CD1-CD1 3.88Å; F255-F360 HydrophobicContact CD1-CD1 3.88Å; F255-F360 AromaticContact CD1-CE1 3.96Å; F255-F360 HydrophobicContact CD1-CE1 3.96Å; F255-F360 HydrophobicContact CD1-CG 4.31Å; F255-F360 HydrophobicContact CD1-CZ 4.45Å; F255-F360 HydrophobicContact CE1-CD1 4.29Å; L256-F360 HydrophobicContact CD2-CZ 4.48Å; I339-F360 HydrophobicContact CD1-CE2 3.94Å; I339-F360 HydrophobicContact CD1-CZ 3.76Å; I339-F360 HydrophobicContact CG1-CE2 4.29Å; I339-F360 HydrophobicContact CG1-CZ 3.99Å; I339-F360 HydrophobicContact CG2-CD2 3.85Å; I339-F360 HydrophobicContact CG2-CE2 3.63Å; I339-F360 HydrophobicContact CG2-CG 4.45Å; I339-F360 HydrophobicContact CG2-CZ 4.06Å; R340-F360 WeakPolarHBondContact O-CA 3.48Å; I341-F360 HydrophobicContact CD1-CD2 4.1Å; I341-F360 HydrophobicContact CG1-CB 4.44Å; I341-F360 HydrophobicContact CG1-CD2 4.12Å; F357-F360 HydrophobicContact CB-CB 4.07Å; F360-K362 HydrophobicContact CE1-CD 4.45Å; F360-K362 HydrophobicContact CE1-CG 4.11Å; F360-L490 HydrophobicContact CD1-CD2 3.62Å; F360-L490 HydrophobicContact CE1-CD2 3.99Å
361	S	93.6	Very high	86.5	Confident	3 Å²	3	37 Å²	37	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.3	178.7	46.3	0	0	0	0	110.9	I339 R340 T359 L490	I339-S361 CarbonylContact C-O 3.57Å; I339-S361 VanDerWaalsContact CA-O 3.27Å; I339-S361 WeakPolarHBondContact CA-O 3.24Å; R340-S361 PolarHBondContact N-O 3.49Å; R340-S361 PolarHBondContact O-N 2.83Å; R340-S361 PolarHBondContact O-OG 3.12Å; T359-S361 PolarHBondContact O-N 2.8Å; T359-S361 PolarHBondContact O-OG 3.16Å; S361-L490 WeakPolarHBondContact CA-O 3.48Å
362	K	93.8	Very high	85.7	Confident	3 Å²	3	35.7 Å²	35.7	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.6	-177.3	-80.7	-178.4	174.3	-174.4	0	111.3	F255 E278 L338 I339 F360 L490 L491 R492	F255-K362 WeakPolarHBondContact O-CE 3.42Å; F255-K362 PolarHBondContact O-NZ 3.48Å; E278-K362 IonicContact OE1-NZ 3.65Å; E278-K362 PolarHBondContact OE1-NZ 3.37Å; E278-K362 IonicContact OE2-NZ 2.97Å; E278-K362 PolarHBondContact OE2-NZ 3.14Å; L338-K362 WeakPolarHBondContact O-CA 3.47Å; I339-K362 HydrophobicContact CG1-CG 3.77Å; F360-K362 HydrophobicContact CE1-CD 4.45Å; F360-K362 HydrophobicContact CE1-CG 4.11Å; K362-L490 PolarHBondContact N-O 2.84Å; K362-L491 HydrophobicContact CB-CD2 3.74Å; K362-L491 HydrophobicContact CD-CD2 4.4Å; K362-L491 CarbonylContact O-C 3.58Å; K362-L491 WeakPolarHBondContact O-CA 3.3Å; K362-R492 PolarHBondContact O-N 3.38Å
363	V	94.8	Very high	84.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.1	166.5	72.7	0	0	0	0	110.3	R337 L338 A441 F442 R492 K494 V496	R337-V363 CarbonylContact C-O 3.59Å; R337-V363 VanDerWaalsContact CA-O 3.24Å; R337-V363 WeakPolarHBondContact CA-O 3.23Å; R337-V363 WeakPolarHBondContact CB-O 3.12Å; L338-V363 HydrophobicContact CB-CG1 3.88Å; L338-V363 PolarHBondContact N-O 3.24Å; L338-V363 PolarHBondContact O-N 2.93Å; V363-A441 HydrophobicContact CG2-CB 3.74Å; V363-F442 HydrophobicContact CB-CE1 4.13Å; V363-F442 HydrophobicContact CB-CE2 4.35Å; V363-F442 HydrophobicContact CB-CZ 4.04Å; V363-F442 HydrophobicContact CG1-CD2 4.21Å; V363-F442 HydrophobicContact CG1-CE1 4.07Å; V363-F442 HydrophobicContact CG1-CE2 3.54Å; V363-F442 HydrophobicContact CG1-CZ 3.47Å; V363-F442 VanDerWaalsContact CG1-CZ 3.47Å; V363-R492 HydrophobicContact CB-CB 4.49Å; V363-R492 HydrophobicContact CG2-CB 4.26Å; V363-K494 VanDerWaalsContact CG2-O 3.24Å; V363-K494 WeakPolarHBondContact CG2-O 3.49Å; V363-V496 HydrophobicContact CG1-CG2 3.81Å; V363-V496 HydrophobicContact CG2-CG2 3.84Å
364	T	94.2	Very high	83.5	Confident	16 Å²	16	41 Å²	41	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.4	173	-55.1	0	0	0	0	109.6	V335 V496	V335-T364 HydrophobicContact CG1-CG2 3.76Å; T364-V496 PolarHBondContact O-N 3.32Å
365	L	95.3	Very high	82.7	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.031	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-89.2	132.7	163.6	-57.5	-170.7	0	0	0	108.6	L275 T336 L338 L414 V416 Y418 Y433 V496	L275-L365 HydrophobicContact CD1-CD1 3.54Å; T336-L365 HydrophobicContact CG2-CB 4.18Å; T336-L365 HydrophobicContact CG2-CD1 4.17Å; T336-L365 HydrophobicContact CG2-CG 4.43Å; T336-L365 PolarHBondContact O-N 3.03Å; L338-L365 HydrophobicContact CB-CD1 4.47Å; L338-L365 HydrophobicContact CB-CD2 4Å; L338-L365 HydrophobicContact CB-CG 4.16Å; L338-L365 HydrophobicContact CD2-CD2 4.32Å; L365-L414 HydrophobicContact CD1-CD2 4.1Å; L365-V416 HydrophobicContact CD1-CG2 4.35Å; L365-Y418 WeakPolarHBondContact CB-OH 3.36Å; L365-Y433 HydrophobicContact CB-CE1 4.48Å; L365-Y433 HydrophobicContact CD1-CD2 4.31Å; L365-Y433 HydrophobicContact CD1-CE2 4.09Å; L365-V496 HydrophobicContact CD2-CB 3.61Å; L365-V496 HydrophobicContact CD2-CG1 4.24Å; L365-V496 HydrophobicContact CD2-CG2 3.67Å
366	E	91.4	Very high	81.2	Confident	34 Å²	34	38 Å²	38	16%	0.159	19%	0.191	C	C	.	.			trans	-113.1	130.9	179.9	-165.3	150.4	-160.9	0	0	108.8	K368 Y433 H495 V496 H497 P498	E366-K368 HydrophobicContact CG-CD 3.8Å; E366-K368 HydrophobicContact CG-CG 3.93Å; E366-K368 VanDerWaalsContact OE1-CD 3.32Å; E366-K368 WeakPolarHBondContact OE1-CD 3.48Å; E366-K368 WeakPolarHBondContact OE1-CE 3.28Å; E366-K368 IonicContact OE1-NZ 2.7Å; E366-K368 PolarHBondContact OE1-NZ 3.1Å; E366-Y433 WeakPolarHBondContact O-CE1 3.5Å; E366-Y433 PolarHBondContact O-OH 3Å; E366-H495 HydrophobicContact CB-CB 4.45Å; E366-H495 WeakPolarHBondContact OE2-CB 3.09Å; E366-H495 IonicContact OE2-CE1 3.83Å; E366-H495 IonicContact OE2-CG 3.1Å; E366-H495 IonicContact OE2-ND1 2.65Å; E366-H495 PolarHBondContact OE2-ND1 3.11Å; E366-V496 PolarHBondContact N-O 3.47Å; E366-H497 IonicContact OE2-CE1 3.78Å; E366-P498 WeakPolarHBondContact O-CD 3.47Å
367	C	92.7	Very high	79.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.19	C	C	.	.			trans	-128.7	104.1	174.6	-173.2	0	0	0	0	107.1	Y399 Y418 C431	C367-Y399 PolarHBondContact O-N 3.17Å; C367-Y418 HydrophobicContact CB-CD1 4.33Å; C367-Y418 HydrophobicContact CB-CD2 3.72Å; C367-Y418 HydrophobicContact CB-CE1 4.16Å; C367-Y418 HydrophobicContact CB-CE2 3.53Å; C367-Y418 HydrophobicContact CB-CG 4.11Å; C367-C431 VanDerWaalsContact CA-SG 3.51Å; C367-C431 HydrophobicContact CB-CB 3.85Å; C367-C431 WeakPolarHBondContact CB-SG 3.5Å; C367-C431 WeakPolarHBondContact SG-CB 3.26Å; C367-C431 CovalentContact SG-SG 2.05Å; C367-C431 PolarHBondContact SG-SG 3.33Å
368	K	86.8	Confident	77.4	Confident	45 Å²	45	41.8 Å²	41.8	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.2	-170.1	-82.2	-175.8	171	-179.1	0	111.9	E366 E396 F397 P503	E366-K368 HydrophobicContact CG-CD 3.8Å; E366-K368 HydrophobicContact CG-CG 3.93Å; E366-K368 VanDerWaalsContact OE1-CD 3.32Å; E366-K368 WeakPolarHBondContact OE1-CD 3.48Å; E366-K368 WeakPolarHBondContact OE1-CE 3.28Å; E366-K368 IonicContact OE1-NZ 2.7Å; E366-K368 PolarHBondContact OE1-NZ 3.1Å; K368-E396 HydrophobicContact CD-CG 4.42Å; K368-E396 VanDerWaalsContact CD-OE1 3.3Å; K368-E396 WeakPolarHBondContact CD-OE1 3.23Å; K368-E396 WeakPolarHBondContact CE-OE1 3.26Å; K368-E396 IonicContact NZ-OE1 3.26Å; K368-E396 PolarHBondContact NZ-OE1 2.86Å; K368-F397 CarbonylContact C-O 3.6Å; K368-F397 VanDerWaalsContact CA-O 3.29Å; K368-F397 WeakPolarHBondContact CA-O 3.14Å; K368-P503 WeakPolarHBondContact O-CD 3.49Å
369	F	81.9	Confident	75.1	Confident	43 Å²	43	45.5 Å²	45.5	19%	0.189	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.9	174.7	176.1	-109.9	0	0	0	109.4	Q371 E396 F397 Y399 P503 I506 P510	F369-Q371 HydrophobicContact CD1-CG 4.35Å; F369-Q371 HydrophobicContact CE1-CG 3.47Å; F369-Q371 VanDerWaalsContact CE1-CG 3.47Å; F369-Q371 VanDerWaalsContact CE1-NE2 3.31Å; F369-Q371 HydrophobicContact CZ-CG 3.69Å; F369-E396 WeakPolarHBondContact O-CA 3.18Å; F369-F397 PolarHBondContact N-O 3.06Å; F369-F397 PolarHBondContact O-N 2.83Å; F369-Y399 HydrophobicContact CB-CE2 4.2Å; F369-P503 HydrophobicContact CB-CG 4.16Å; F369-I506 HydrophobicContact CB-CD1 3.76Å; F369-I506 HydrophobicContact CD1-CD1 3.92Å; F369-I506 HydrophobicContact CD2-CD1 3.3Å; F369-I506 HydrophobicContact CE1-CD1 4.32Å; F369-I506 HydrophobicContact CE2-CD1 3.77Å; F369-I506 HydrophobicContact CG-CD1 3.37Å; F369-I506 HydrophobicContact CZ-CD1 4.25Å; F369-P510 HydrophobicContact CD1-CG 4.39Å; F369-P510 HydrophobicContact CE1-CB 4.39Å; F369-P510 HydrophobicContact CE1-CG 3.78Å; F369-P510 HydrophobicContact CZ-CG 4.47Å
370	H	75	Confident	72.8	Confident	103 Å²	103	48.4 Å²	48.4	48%	0.477	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.2	178.8	-56.4	-89.9	0	0	0	110.2	T395 E396	H370-T395 WeakPolarHBondContact CA-O 3.25Å; H370-E396 IonicContact CE1-OE1 3.07Å; H370-E396 IonicContact CE1-OE2 2.73Å; H370-E396 PolarHBondContact CE1-OE2 3.01Å; H370-E396 IonicContact ND1-OE2 2.66Å; H370-E396 PolarHBondContact ND1-OE2 3.09Å
371	Q	66.4	Low	70.1	Confident	60 Å²	60	52.8 Å²	52.8	28%	0.28	25%	0.253	S	S	.	.			trans	-119.6	146.7	165.8	-66.4	-158.5	1.5	0	0	111.2	F369 H373 I375 T395	F369-Q371 HydrophobicContact CD1-CG 4.35Å; F369-Q371 HydrophobicContact CE1-CG 3.47Å; F369-Q371 VanDerWaalsContact CE1-CG 3.47Å; F369-Q371 VanDerWaalsContact CE1-NE2 3.31Å; F369-Q371 HydrophobicContact CZ-CG 3.69Å; Q371-H373 WeakPolarHBondContact CB-O 3.35Å; Q371-H373 PolarHBondContact O-N 2.86Å; Q371-I375 HydrophobicContact CB-CD1 4.06Å; Q371-I375 HydrophobicContact CB-CG1 3.88Å; Q371-I375 HydrophobicContact CG-CD1 3.9Å; Q371-I375 HydrophobicContact CG-CG1 3.93Å; Q371-T395 PolarHBondContact N-O 3Å
372	N	59.9	Low	67.2	Low	160 Å²	160	58.5 Å²	58.5	86%	0.856	29%	0.288	S	S	*	.	S	Bend	trans	-74.2	-1.3	175.9	-65.5	-11.8	0	0	0	113.4
373	H	57.6	Low	64.5	Low	136 Å²	136	66.7 Å²	66.7	63%	0.63	33%	0.327	S	S	*	.	S	Bend	trans	-134.4	154.5	-178.9	-61.6	-34.5	0	0	0	109.3	Q371	Q371-H373 WeakPolarHBondContact CB-O 3.35Å; Q371-H373 PolarHBondContact O-N 2.86Å
374	P	51.7	Low	62.1	Low	60 Å²	60	74.3 Å²	74.3	39%	0.39	37%	0.367	S	S	.	.			trans	-54.8	140.8	170.3	-23	34.4	0	0	0	110.4
375	I	54.8	Low	59.5	Low	2 Å²	2	79.8 Å²	79.8	1%	0.01	39%	0.39	C	S	.	.			trans	-95.4	115.9	-171.1	-52.4	170.2	0	0	0	109.3	Q371 Y377 L394 F397 P510	Q371-I375 HydrophobicContact CB-CD1 4.06Å; Q371-I375 HydrophobicContact CB-CG1 3.88Å; Q371-I375 HydrophobicContact CG-CD1 3.9Å; Q371-I375 HydrophobicContact CG-CG1 3.93Å; I375-Y377 HydrophobicContact CB-CE2 3.79Å; I375-Y377 HydrophobicContact CG2-CD2 4.19Å; I375-Y377 HydrophobicContact CG2-CE2 3.32Å; I375-Y377 VanDerWaalsContact O-CD2 3.28Å; I375-Y377 WeakPolarHBondContact O-CD2 3.24Å; I375-L394 WeakPolarHBondContact CG1-O 3.25Å; I375-L394 PolarHBondContact N-O 3.03Å; I375-F397 HydrophobicContact CB-CE2 4.34Å; I375-F397 HydrophobicContact CD1-CD2 3.61Å; I375-F397 HydrophobicContact CD1-CE2 3.84Å; I375-F397 HydrophobicContact CG2-CE2 4.5Å; I375-P510 HydrophobicContact CG2-CB 3.85Å
376	D	52.4	Low	57.1	Low	65 Å²	65	85.7 Å²	85.7	35%	0.348	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	119.6	-177	-78.1	5.4	0	0	0	111.7	L388 T390	D376-L388 HydrophobicContact CB-CD1 3.87Å; D376-T390 WeakPolarHBondContact OD1-CG2 3.36Å
377	Y	52.7	Low	55	Low	43 Å²	43	88 Å²	88	17%	0.169	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133	173.5	-73	-85.1	0	0	0	112.1	I375 F389 F397 P425	I375-Y377 HydrophobicContact CB-CE2 3.79Å; I375-Y377 HydrophobicContact CG2-CD2 4.19Å; I375-Y377 HydrophobicContact CG2-CE2 3.32Å; I375-Y377 VanDerWaalsContact O-CD2 3.28Å; I375-Y377 WeakPolarHBondContact O-CD2 3.24Å; Y377-F389 PolarHBondContact N-O 2.63Å; Y377-F389 VanDerWaalsContact N-O 3.1Å; Y377-F389 PolarHBondContact O-N 3.26Å; Y377-F397 HydrophobicContact CD2-CZ 4.16Å; Y377-F397 HydrophobicContact CE1-CZ 4.33Å; Y377-F397 HydrophobicContact CE2-CE1 4.2Å; Y377-F397 AromaticContact CE2-CE2 3.43Å; Y377-F397 HydrophobicContact CE2-CE2 3.43Å; Y377-F397 VanDerWaalsContact CE2-CE2 3.43Å; Y377-F397 AromaticContact CE2-CZ 3.21Å; Y377-F397 HydrophobicContact CE2-CZ 3.21Å; Y377-F397 AromaticContact CZ-CE1 3.9Å; Y377-F397 AromaticContact CZ-CE2 3.71Å; Y377-F397 AromaticContact CZ-CZ 3.33Å; Y377-F397 VanDerWaalsContact OH-CE2 3.3Å; Y377-F397 WeakPolarHBondContact OH-CE2 3.27Å; Y377-F397 WeakPolarHBondContact OH-CZ 3.35Å; Y377-P425 HydrophobicContact CD1-CG 4.07Å; Y377-P425 HydrophobicContact CE1-CG 4.1Å
378	Y	51.9	Low	52.9	Low	79 Å²	79	92.1 Å²	92.1	31%	0.31	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.4	172	-63.4	-76.6	0	0	0	110.1	L388 P513	Y378-L388 HydrophobicContact CD1-CB 4.47Å; Y378-L388 HydrophobicContact CD1-CD1 4.15Å; Y378-L388 HydrophobicContact CE1-CB 4.33Å; Y378-L388 HydrophobicContact CE1-CD1 3.8Å; Y378-P513 HydrophobicContact CD2-CB 4.2Å; Y378-P513 HydrophobicContact CE2-CB 4.43Å
379	N	43.8	Very low	51.1	Low	81 Å²	81	95.1 Å²	95.1	43%	0.433	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.3	173.5	-155.2	-14.7	0	0	0	109.2	E387 F389	N379-E387 PolarHBondContact N-O 2.65Å; N379-E387 PolarHBondContact O-N 3Å; N379-F389 HydrophobicContact CB-CD2 4.18Å
380	Y	43.1	Very low	49.6	Very low	73 Å²	73	96.3 Å²	96.3	29%	0.286	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110	-178.9	-77.5	-109.6	0	0	0	108.8	K386 F514	Y380-K386 HydrophobicContact CE1-CG 3.98Å; Y380-K386 WeakPolarHBondContact OH-CE 3.39Å; Y380-F514 WeakPolarHBondContact CE2-O 3.15Å
381	K	37.8	Very low	48.5	Very low	95 Å²	95	94.8 Å²	94.8	41%	0.413	47%	0.467	S	S	.	.			trans	-112.5	109.2	177	-73.4	-179.1	-174.3	161.6	0	109.5	K385 E387	K381-K385 PolarHBondContact N-O 3.2Å; K381-E387 WeakPolarHBondContact CD-OE2 3.5Å; K381-E387 VanDerWaalsContact CE-OE2 3.31Å; K381-E387 WeakPolarHBondContact CE-OE2 3.23Å; K381-E387 IonicContact NZ-OE2 2.67Å; K381-E387 PolarHBondContact NZ-OE2 3.14Å
382	T	34.2	Very low	47.5	Very low	124 Å²	124	96.6 Å²	96.6	76%	0.761	48%	0.484	S	S	*	.	S	Bend	trans	57.4	167	-172.6	58.7	0	0	0	0	113.1	N384	T382-N384 PolarHBondContact O-N 2.67Å
383	E	37	Very low	46.9	Very low	175 Å²	175	96.2 Å²	96.2	82%	0.818	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	129.2	-176.2	-61	-174.4	145.3	0	0	111.4	K385	E383-K385 PolarHBondContact O-N 3.35Å
384	N	44.4	Very low	46.8	Very low	159 Å²	159	91.3 Å²	91.3	85%	0.85	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	14.2	171.9	-51.7	-58.5	0	0	0	118.4	T382	T382-N384 PolarHBondContact O-N 2.67Å
385	K	38.2	Very low	47	Very low	132 Å²	132	91.3 Å²	91.3	57%	0.574	46%	0.458	S	S	*	.			trans	-113	107.7	167.2	-80.4	-177.6	179.3	174.1	0	113.7	K381 E383	K381-K385 PolarHBondContact N-O 3.2Å; E383-K385 PolarHBondContact O-N 3.35Å
386	K	45	Very low	47.5	Very low	130 Å²	130	94.5 Å²	94.5	57%	0.565	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.6	167	-60.3	-176.1	-177.2	-172	0	109.6	Y380	Y380-K386 HydrophobicContact CE1-CG 3.98Å; Y380-K386 WeakPolarHBondContact OH-CE 3.39Å
387	E	48.2	Very low	48.3	Very low	82 Å²	82	91.6 Å²	91.6	38%	0.383	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.3	162.7	-73.2	-174.2	163.6	0	0	109	N379 K381 F389	N379-E387 PolarHBondContact N-O 2.65Å; N379-E387 PolarHBondContact O-N 3Å; K381-E387 WeakPolarHBondContact CD-OE2 3.5Å; K381-E387 VanDerWaalsContact CE-OE2 3.31Å; K381-E387 WeakPolarHBondContact CE-OE2 3.23Å; K381-E387 IonicContact NZ-OE2 2.67Å; K381-E387 PolarHBondContact NZ-OE2 3.14Å; E387-F389 HydrophobicContact CB-CD2 4.22Å; E387-F389 HydrophobicContact CB-CE2 4.25Å; E387-F389 PolarHBondContact O-N 2.7Å
388	L	47.5	Very low	49.4	Very low	87 Å²	87	92.1 Å²	92.1	46%	0.455	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	107.3	168.4	176.3	65	0	0	0	108.2	D376 Y378 T390	D376-L388 HydrophobicContact CB-CD1 3.87Å; Y378-L388 HydrophobicContact CD1-CB 4.47Å; Y378-L388 HydrophobicContact CD1-CD1 4.15Å; Y378-L388 HydrophobicContact CE1-CB 4.33Å; Y378-L388 HydrophobicContact CE1-CD1 3.8Å; L388-T390 HydrophobicContact CD1-CG2 4.14Å; L388-T390 HydrophobicContact CD2-CG2 3.85Å; L388-T390 HydrophobicContact CG-CG2 3.74Å; L388-T390 PolarHBondContact O-N 2.85Å
389	F	50.8	Low	50.9	Low	108 Å²	108	88.7 Å²	88.7	47%	0.474	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	96.7	167.2	-95.8	-98.9	0	0	0	108.7	Y377 N379 E387	Y377-F389 PolarHBondContact N-O 2.63Å; Y377-F389 VanDerWaalsContact N-O 3.1Å; Y377-F389 PolarHBondContact O-N 3.26Å; N379-F389 HydrophobicContact CB-CD2 4.18Å; E387-F389 HydrophobicContact CB-CD2 4.22Å; E387-F389 HydrophobicContact CB-CE2 4.25Å; E387-F389 PolarHBondContact O-N 2.7Å
390	T	49.7	Very low	52.5	Low	68 Å²	68	85.7 Å²	85.7	42%	0.417	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.8	157.2	68.8	0	0	0	0	107.2	D376 L388 P392	D376-T390 WeakPolarHBondContact OD1-CG2 3.36Å; L388-T390 HydrophobicContact CD1-CG2 4.14Å; L388-T390 HydrophobicContact CD2-CG2 3.85Å; L388-T390 HydrophobicContact CG-CG2 3.74Å; L388-T390 PolarHBondContact O-N 2.85Å; T390-P392 WeakPolarHBondContact O-CD 3.49Å
391	D	51.6	Low	54.6	Low	71 Å²	71	85.9 Å²	85.9	38%	0.38	44%	0.443	S	S	.	.			trans	-98	109.6	165.2	-175.8	-16.8	0	0	0	107.5	L393 L394	D391-L393 PolarHBondContact O-N 3.47Å; D391-L393 WeakPolarHBondContact OD1-CB 3.24Å; D391-L393 PolarHBondContact OD1-N 3Å; D391-L394 HydrophobicContact CB-CB 3.73Å; D391-L394 HydrophobicContact CB-CD2 4.49Å; D391-L394 PolarHBondContact O-N 3.17Å
392	P	45.5	Very low	57.2	Low	98 Å²	98	81.4 Å²	81.4	64%	0.636	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.2	-178.4	-22.7	34.5	0	0	0	114.5	T390	T390-P392 WeakPolarHBondContact O-CD 3.49Å
393	L	47	Very low	59.9	Low	153 Å²	153	76.6 Å²	76.6	80%	0.801	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-11.6	179	-57.5	173.8	0	0	0	112.9	D391 T395	D391-L393 PolarHBondContact O-N 3.47Å; D391-L393 WeakPolarHBondContact OD1-CB 3.24Å; D391-L393 PolarHBondContact OD1-N 3Å; L393-T395 PolarHBondContact O-N 3.28Å
394	L	55.5	Low	62.6	Low	33 Å²	33	68.7 Å²	68.7	17%	0.173	36%	0.357	C	S	.	.			trans	-99	74.6	-170.8	-163.1	64.5	0	0	0	111.9	I375 D391 F397 Y424	I375-L394 WeakPolarHBondContact CG1-O 3.25Å; I375-L394 PolarHBondContact N-O 3.03Å; D391-L394 HydrophobicContact CB-CB 3.73Å; D391-L394 HydrophobicContact CB-CD2 4.49Å; D391-L394 PolarHBondContact O-N 3.17Å; L394-F397 HydrophobicContact CD1-CE2 4.33Å; L394-F397 HydrophobicContact CD2-CE2 3.6Å; L394-F397 HydrophobicContact CD2-CZ 3.49Å; L394-F397 VanDerWaalsContact CD2-CZ 3.49Å; L394-F397 HydrophobicContact CG-CD2 4.44Å; L394-F397 HydrophobicContact CG-CE2 3.64Å; L394-F397 HydrophobicContact CG-CZ 4.06Å; L394-Y424 HydrophobicContact CD1-CE1 4.02Å
395	T	56.1	Low	65	Low	59 Å²	59	61.8 Å²	61.8	36%	0.362	32%	0.323	S	S	.	.			trans	-92.7	-3	173.4	52.2	0	0	0	0	113.5	H370 Q371 L393	H370-T395 WeakPolarHBondContact CA-O 3.25Å; Q371-T395 PolarHBondContact N-O 3Å; L393-T395 PolarHBondContact O-N 3.28Å
396	E	64.7	Low	67.7	Low	69 Å²	69	58.2 Å²	58.2	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.8	-170.4	179.2	177.2	143.7	0	0	111.2	K368 F369 H370	K368-E396 HydrophobicContact CD-CG 4.42Å; K368-E396 VanDerWaalsContact CD-OE1 3.3Å; K368-E396 WeakPolarHBondContact CD-OE1 3.23Å; K368-E396 WeakPolarHBondContact CE-OE1 3.26Å; K368-E396 IonicContact NZ-OE1 3.26Å; K368-E396 PolarHBondContact NZ-OE1 2.86Å; F369-E396 WeakPolarHBondContact O-CA 3.18Å; H370-E396 IonicContact CE1-OE1 3.07Å; H370-E396 IonicContact CE1-OE2 2.73Å; H370-E396 PolarHBondContact CE1-OE2 3.01Å; H370-E396 IonicContact ND1-OE2 2.66Å; H370-E396 PolarHBondContact ND1-OE2 3.09Å
397	F	70.1	Confident	70.1	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.3	171.3	-87.7	-104.4	0	0	0	110.5	K368 F369 I375 Y377 L394 Y399 Y424 P425	K368-F397 CarbonylContact C-O 3.6Å; K368-F397 VanDerWaalsContact CA-O 3.29Å; K368-F397 WeakPolarHBondContact CA-O 3.14Å; F369-F397 PolarHBondContact N-O 3.06Å; F369-F397 PolarHBondContact O-N 2.83Å; I375-F397 HydrophobicContact CB-CE2 4.34Å; I375-F397 HydrophobicContact CD1-CD2 3.61Å; I375-F397 HydrophobicContact CD1-CE2 3.84Å; I375-F397 HydrophobicContact CG2-CE2 4.5Å; Y377-F397 HydrophobicContact CD2-CZ 4.16Å; Y377-F397 HydrophobicContact CE1-CZ 4.33Å; Y377-F397 HydrophobicContact CE2-CE1 4.2Å; Y377-F397 AromaticContact CE2-CE2 3.43Å; Y377-F397 HydrophobicContact CE2-CE2 3.43Å; Y377-F397 VanDerWaalsContact CE2-CE2 3.43Å; Y377-F397 AromaticContact CE2-CZ 3.21Å; Y377-F397 HydrophobicContact CE2-CZ 3.21Å; Y377-F397 AromaticContact CZ-CE1 3.9Å; Y377-F397 AromaticContact CZ-CE2 3.71Å; Y377-F397 AromaticContact CZ-CZ 3.33Å; Y377-F397 VanDerWaalsContact OH-CE2 3.3Å; Y377-F397 WeakPolarHBondContact OH-CE2 3.27Å; Y377-F397 WeakPolarHBondContact OH-CZ 3.35Å; L394-F397 HydrophobicContact CD1-CE2 4.33Å; L394-F397 HydrophobicContact CD2-CE2 3.6Å; L394-F397 HydrophobicContact CD2-CZ 3.49Å; L394-F397 VanDerWaalsContact CD2-CZ 3.49Å; L394-F397 HydrophobicContact CG-CD2 4.44Å; L394-F397 HydrophobicContact CG-CE2 3.64Å; L394-F397 HydrophobicContact CG-CZ 4.06Å; F397-Y399 HydrophobicContact CB-CE2 3.95Å; F397-Y424 HydrophobicContact CE1-CD1 4.16Å; F397-P425 HydrophobicContact CE1-CG 4.38Å
398	S	75.9	Confident	72.2	Confident	55 Å²	55	49.9 Å²	49.9	39%	0.385	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.7	180	-173.5	0	0	0	0	110.5	G400	S398-G400 PolarHBondContact O-N 2.91Å
399	Y	82.7	Confident	74.2	Confident	6 Å²	6	50 Å²	50	2%	0.024	28%	0.275	C	S	.	.			trans	-97.1	88.8	-178.7	-58.7	-95.7	0	0	0	108.8	C367 F369 F397 Y418 T420 A429 I506	C367-Y399 PolarHBondContact O-N 3.17Å; F369-Y399 HydrophobicContact CB-CE2 4.2Å; F397-Y399 HydrophobicContact CB-CE2 3.95Å; Y399-Y418 WeakPolarHBondContact O-CD1 3.31Å; Y399-Y418 WeakPolarHBondContact O-CE1 3.42Å; Y399-T420 HydrophobicContact CD1-CG2 3.75Å; Y399-T420 HydrophobicContact CE1-CG2 3.56Å; Y399-A429 HydrophobicContact CD1-CB 3.47Å; Y399-A429 VanDerWaalsContact CD1-CB 3.47Å; Y399-A429 HydrophobicContact CD2-CB 3.76Å; Y399-A429 HydrophobicContact CE1-CB 3.65Å; Y399-A429 HydrophobicContact CE2-CB 3.95Å; Y399-A429 HydrophobicContact CG-CB 3.53Å; Y399-I506 VanDerWaalsContact OH-CG2 3.3Å; Y399-I506 WeakPolarHBondContact OH-CG2 3.4Å
400	G	77.7	Confident	75.9	Confident	18 Å²	18	50.8 Å²	50.8	19%	0.186	28%	0.284	C	S	.	.			trans	-87.1	-19.8	-174.4	0	0	0	0	0	115.2	T336 S398 S402	T336-G400 PolarHBondContact OG1-O 2.92Å; S398-G400 PolarHBondContact O-N 2.91Å; G400-S402 PolarHBondContact O-N 3.07Å
401	Y	87.6	Confident	77.6	Confident	78 Å²	78	49.9 Å²	49.9	31%	0.306	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	84.6	-171.1	-168.7	-89.4	0	0	0	110.5	R277 P334 Y418 Q419	R277-Y401 VanDerWaalsContact CZ-CZ 3.49Å; R277-Y401 PolarHBondContact NH2-OH 3.28Å; P334-Y401 HydrophobicContact CB-CD2 3.89Å; P334-Y401 HydrophobicContact CG-CD2 3.99Å; Y401-Y418 CarbonylContact O-C 3.6Å; Y401-Y418 WeakPolarHBondContact O-CA 3.4Å; Y401-Q419 HydrophobicContact CD1-CB 4.03Å; Y401-Q419 PolarHBondContact N-O 2.9Å; Y401-Q419 PolarHBondContact O-N 2.82Å
402	S	92	Very high	79.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	146.2	173.1	43.3	0	0	0	0	111.8	I263 R277 T336 G400 S417	I263-S402 WeakPolarHBondContact CD1-OG 3.43Å; R277-S402 WeakPolarHBondContact CD-O 3.49Å; R277-S402 PolarHBondContact NH1-O 3.25Å; T336-S402 VanDerWaalsContact CG2-OG 3.26Å; T336-S402 WeakPolarHBondContact CG2-OG 3.42Å; T336-S402 VanDerWaalsContact OG1-CB 3.26Å; T336-S402 WeakPolarHBondContact OG1-CB 3.28Å; T336-S402 PolarHBondContact OG1-N 3.26Å; T336-S402 PolarHBondContact OG1-OG 2.81Å; G400-S402 PolarHBondContact O-N 3.07Å; S402-S417 CarbonylContact C-O 3.58Å; S402-S417 WeakPolarHBondContact CA-O 3.26Å
403	I	90.7	Very high	81.8	Confident	23 Å²	23	46.1 Å²	46.1	12%	0.118	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-55.3	-179.2	-44.3	172.1	0	0	0	110	S417 Q419 Y524	I403-S417 PolarHBondContact N-O 3.36Å; I403-Q419 HydrophobicContact CD1-CB 4.25Å; I403-Q419 VanDerWaalsContact CD1-CD 3.48Å; I403-Q419 HydrophobicContact CD1-CG 3.78Å; I403-Q419 HydrophobicContact CG1-CB 4.42Å; I403-Q419 HydrophobicContact CG1-CG 4.47Å; I403-Y524 HydrophobicContact CG2-CD1 3.73Å; I403-Y524 HydrophobicContact CG2-CE1 4.06Å; I403-Y524 HydrophobicContact CG2-CG 4.31Å
404	S	94.2	Very high	84.1	Confident	9 Å²	9	38.9 Å²	38.9	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.2	-176.9	81.7	0	0	0	0	110.6	V416 S417 W523 Y524 I526	S404-V416 WeakPolarHBondContact O-CA 3.28Å; S404-S417 PolarHBondContact N-OG 3.48Å; S404-S417 VanDerWaalsContact N-OG 3.13Å; S404-S417 PolarHBondContact O-N 3.08Å; S404-S417 PolarHBondContact O-OG 3.17Å; S404-S417 PolarHBondContact OG-OG 3.39Å; S404-W523 PolarHBondContact OG-O 2.91Å; S404-Y524 WeakPolarHBondContact CB-O 3.46Å; S404-I526 WeakPolarHBondContact OG-CD1 3.34Å; S404-I526 WeakPolarHBondContact OG-CG1 3.3Å
405	G	94.8	Very high	86	Confident	14 Å²	14	37.4 Å²	37.4	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	143.8	174.7	0	0	0	0	0	112.8	C264 Y415	C264-G405 WeakPolarHBondContact CB-O 3.22Å; C264-G405 PolarHBondContact SG-O 2.83Å; G405-Y415 CarbonylContact C-O 3.58Å; G405-Y415 WeakPolarHBondContact CA-O 3.27Å
406	K	95.3	Very high	87.9	Confident	57 Å²	57	34.6 Å²	34.6	25%	0.248	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.6	-175.6	-175.9	72.1	166.9	-164.9	0	109.8	Y415 I526 E527 I528	K406-Y415 PolarHBondContact N-O 2.76Å; K406-Y415 PolarHBondContact O-N 2.86Å; K406-I526 HydrophobicContact CB-CB 3.92Å; K406-I526 HydrophobicContact CB-CG2 3.78Å; K406-I526 WeakPolarHBondContact CD-O 3.42Å; K406-I526 HydrophobicContact CG-CG2 4.36Å; K406-I526 WeakPolarHBondContact CG-O 3.45Å; K406-E527 WeakPolarHBondContact CE-OE2 3.49Å; K406-E527 IonicContact NZ-OE1 3.87Å; K406-E527 PolarHBondContact NZ-OE1 3Å; K406-E527 IonicContact NZ-OE2 2.7Å; K406-E527 PolarHBondContact NZ-OE2 3.01Å; K406-I528 HydrophobicContact CB-CD1 4.19Å; K406-I528 HydrophobicContact CG-CD1 3.63Å; K406-I528 HydrophobicContact CG-CG1 3.99Å
407	W	95	Very high	89.3	Confident	32 Å²	32	31.3 Å²	31.3	12%	0.121	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.6	172	175.2	-115.1	0	0	0	110.2	F266 N412 K413 L414 L435	F266-W407 HydrophobicContact CB-CB 3.56Å; F266-W407 HydrophobicContact CB-CD2 4.45Å; F266-W407 HydrophobicContact CB-CG 3.63Å; F266-W407 HydrophobicContact CD1-CB 4.01Å; F266-W407 HydrophobicContact CD1-CG 4.35Å; F266-W407 HydrophobicContact CD2-CB 4.08Å; F266-W407 AromaticContact CD2-CD1 3.87Å; F266-W407 AromaticContact CD2-CD2 3.41Å; F266-W407 HydrophobicContact CD2-CD2 3.41Å; F266-W407 VanDerWaalsContact CD2-CD2 3.41Å; F266-W407 AromaticContact CD2-CE2 3.75Å; F266-W407 AromaticContact CD2-CE3 3.81Å; F266-W407 HydrophobicContact CD2-CE3 3.81Å; F266-W407 AromaticContact CD2-CG 3.53Å; F266-W407 HydrophobicContact CD2-CG 3.53Å; F266-W407 HydrophobicContact CD2-CZ2 4.41Å; F266-W407 HydrophobicContact CD2-CZ3 4.46Å; F266-W407 AromaticContact CD2-NE1 3.95Å; F266-W407 AromaticContact CE2-CD2 3.68Å; F266-W407 HydrophobicContact CE2-CD2 3.68Å; F266-W407 AromaticContact CE2-CE3 3.55Å; F266-W407 HydrophobicContact CE2-CE3 3.55Å; F266-W407 HydrophobicContact CE2-CG 4.23Å; F266-W407 HydrophobicContact CE2-CH2 4.29Å; F266-W407 HydrophobicContact CE2-CZ2 4.39Å; F266-W407 AromaticContact CE2-CZ3 3.88Å; F266-W407 HydrophobicContact CE2-CZ3 3.88Å; F266-W407 HydrophobicContact CG-CB 3.64Å; F266-W407 AromaticContact CG-CD2 3.96Å; F266-W407 HydrophobicContact CG-CD2 3.96Å; F266-W407 HydrophobicContact CG-CE3 4.43Å; F266-W407 AromaticContact CG-CG 3.6Å; F266-W407 HydrophobicContact CG-CG 3.6Å; F266-W407 HydrophobicContact CZ-CD2 4.41Å; F266-W407 AromaticContact CZ-CE3 3.97Å; F266-W407 HydrophobicContact CZ-CE3 3.97Å; F266-W407 HydrophobicContact CZ-CZ3 4.37Å; W407-N412 HydrophobicContact CH2-CB 4.24Å; W407-K413 VanDerWaalsContact CE3-O 3.27Å; W407-L414 HydrophobicContact CB-CD1 4.5Å; W407-L414 HydrophobicContact CE3-CB 4.02Å; W407-L414 HydrophobicContact CZ3-CB 4.32Å; W407-L435 HydrophobicContact CH2-CB 4.08Å; W407-L435 HydrophobicContact CH2-CD1 4.03Å; W407-L435 HydrophobicContact CH2-CD2 4.23Å; W407-L435 HydrophobicContact CH2-CG 4.33Å
408	D	92.1	Very high	90.4	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.032	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106.7	169.9	-170.6	-28	0	0	0	109.6	L410 D411 N412 K413 Y415 I528 H530	D408-L410 VanDerWaalsContact C-N 3.31Å; D408-L410 WeakPolarHBondContact OD1-CB 3.29Å; D408-L410 PolarHBondContact OD1-N 2.81Å; D408-D411 HydrophobicContact CB-CB 4.43Å; D408-D411 PolarHBondContact OD1-N 3.09Å; D408-D411 VanDerWaalsContact OD1-N 3.09Å; D408-N412 VanDerWaalsContact O-CA 3.25Å; D408-N412 WeakPolarHBondContact O-CA 3.28Å; D408-N412 PolarHBondContact O-N 2.58Å; D408-K413 PolarHBondContact N-O 3.19Å; D408-K413 PolarHBondContact O-N 2.87Å; D408-Y415 HydrophobicContact CB-CE2 4.14Å; D408-I528 HydrophobicContact CB-CD1 4.14Å; D408-I528 WeakPolarHBondContact OD2-CG2 3.18Å; D408-H530 IonicContact OD1-NE2 3.52Å; D408-H530 PolarHBondContact OD1-NE2 3.22Å; D408-H530 IonicContact OD2-CD2 3.19Å; D408-H530 IonicContact OD2-CE1 3.59Å; D408-H530 IonicContact OD2-NE2 2.84Å; D408-H530 PolarHBondContact OD2-NE2 3.24Å
409	P	88.9	Confident	90.8	Very high	88 Å²	88	30.2 Å²	30.2	57%	0.571	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.2	-179.9	33	-36	0	0	0	113.8
410	L	86.8	Confident	90.5	Very high	125 Å²	125	30.7 Å²	30.7	65%	0.654	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-49.3	176	-63.4	174.5	0	0	0	109.8	D408 H530	D408-L410 VanDerWaalsContact C-N 3.31Å; D408-L410 WeakPolarHBondContact OD1-CB 3.29Å; D408-L410 PolarHBondContact OD1-N 2.81Å; L410-H530 HydrophobicContact CD1-CB 4.4Å
411	D	85	Confident	89.8	Confident	49 Å²	49	30.5 Å²	30.5	26%	0.262	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.6	-179.6	-99.2	31.6	0	0	0	113.7	D408 K413 H530	D408-D411 HydrophobicContact CB-CB 4.43Å; D408-D411 PolarHBondContact OD1-N 3.09Å; D408-D411 VanDerWaalsContact OD1-N 3.09Å; D411-K413 HydrophobicContact CB-CD 3.89Å; D411-K413 HydrophobicContact CB-CG 4.23Å; D411-K413 WeakPolarHBondContact OD2-CE 3.45Å; D411-K413 IonicContact OD2-NZ 3.78Å; D411-K413 PolarHBondContact OD2-NZ 3Å; D411-H530 IonicContact OD1-CE1 2.87Å
412	N	92.2	Very high	88.1	Confident	71 Å²	71	34.3 Å²	34.3	38%	0.38	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	48.2	-175.1	-69.3	-88.2	0	0	0	113.1	W407 D408 L435	W407-N412 HydrophobicContact CH2-CB 4.24Å; D408-N412 VanDerWaalsContact O-CA 3.25Å; D408-N412 WeakPolarHBondContact O-CA 3.28Å; D408-N412 PolarHBondContact O-N 2.58Å; N412-L435 HydrophobicContact CB-CB 4.07Å; N412-L435 HydrophobicContact CB-CD2 4.26Å; N412-L435 PolarHBondContact O-N 3.11Å
413	K	92.6	Very high	86.1	Confident	20 Å²	20	40.6 Å²	40.6	9%	0.087	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.7	-175.2	-68.1	169.5	-158.3	169.9	0	112	W407 D408 D411 Y415 V432 Y433 I499 M559	W407-K413 VanDerWaalsContact CE3-O 3.27Å; D408-K413 PolarHBondContact N-O 3.19Å; D408-K413 PolarHBondContact O-N 2.87Å; D411-K413 HydrophobicContact CB-CD 3.89Å; D411-K413 HydrophobicContact CB-CG 4.23Å; D411-K413 WeakPolarHBondContact OD2-CE 3.45Å; D411-K413 IonicContact OD2-NZ 3.78Å; D411-K413 PolarHBondContact OD2-NZ 3Å; K413-Y415 HydrophobicContact CB-CD2 4.26Å; K413-Y415 HydrophobicContact CB-CE2 3.7Å; K413-Y415 HydrophobicContact CD-CE2 4.42Å; K413-V432 HydrophobicContact CB-CG1 4.04Å; K413-V432 HydrophobicContact CD-CG1 4.24Å; K413-V432 HydrophobicContact CG-CG1 4.36Å; K413-Y433 CarbonylContact C-O 3.59Å; K413-Y433 WeakPolarHBondContact CA-O 3.16Å; K413-I499 HydrophobicContact CD-CD1 4.44Å; K413-M559 HydrophobicContact CD-CE 4.13Å
414	L	95.8	Very high	84.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.7	170.6	-178.9	63.9	0	0	0	109.5	F266 L338 L365 W407 V416 V432 Y433 I438	F266-L414 HydrophobicContact CD1-CD1 4.24Å; F266-L414 HydrophobicContact CE1-CD1 3.75Å; F266-L414 HydrophobicContact CE1-CD2 4.01Å; F266-L414 HydrophobicContact CE1-CG 4.42Å; F266-L414 HydrophobicContact CZ-CD1 4.35Å; F266-L414 HydrophobicContact CZ-CD2 4.22Å; L338-L414 HydrophobicContact CD1-CD2 4.2Å; L338-L414 HydrophobicContact CD2-CD2 4.36Å; L365-L414 HydrophobicContact CD1-CD2 4.1Å; W407-L414 HydrophobicContact CB-CD1 4.5Å; W407-L414 HydrophobicContact CE3-CB 4.02Å; W407-L414 HydrophobicContact CZ3-CB 4.32Å; L414-V416 HydrophobicContact CD1-CG2 4.46Å; L414-V416 HydrophobicContact CD2-CG2 4.16Å; L414-V416 HydrophobicContact CG-CG2 3.85Å; L414-V432 WeakPolarHBondContact O-CA 3.32Å; L414-Y433 PolarHBondContact N-O 3.33Å; L414-Y433 PolarHBondContact O-N 2.9Å; L414-I438 HydrophobicContact CB-CD1 4.29Å; L414-I438 HydrophobicContact CD2-CD1 4.48Å
415	Y	95.5	Very high	82.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.8	173.8	-66.3	-107.4	0	0	0	108.7	G405 K406 D408 K413 V432 I528 L537 L550	G405-Y415 CarbonylContact C-O 3.58Å; G405-Y415 WeakPolarHBondContact CA-O 3.27Å; K406-Y415 PolarHBondContact N-O 2.76Å; K406-Y415 PolarHBondContact O-N 2.86Å; D408-Y415 HydrophobicContact CB-CE2 4.14Å; K413-Y415 HydrophobicContact CB-CD2 4.26Å; K413-Y415 HydrophobicContact CB-CE2 3.7Å; K413-Y415 HydrophobicContact CD-CE2 4.42Å; Y415-V432 HydrophobicContact CD1-CB 4.4Å; Y415-V432 HydrophobicContact CD1-CG1 4.08Å; Y415-V432 HydrophobicContact CD1-CG2 3.46Å; Y415-V432 VanDerWaalsContact CD1-CG2 3.46Å; Y415-V432 HydrophobicContact CD2-CG1 4.26Å; Y415-V432 HydrophobicContact CE1-CB 4.48Å; Y415-V432 HydrophobicContact CE1-CG1 3.94Å; Y415-V432 HydrophobicContact CE1-CG2 3.64Å; Y415-V432 HydrophobicContact CE2-CG1 4.11Å; Y415-V432 HydrophobicContact CG-CG1 4.23Å; Y415-V432 HydrophobicContact CG-CG2 4.17Å; Y415-I528 HydrophobicContact CD2-CD1 3.41Å; Y415-I528 VanDerWaalsContact CD2-CD1 3.41Å; Y415-I528 HydrophobicContact CE2-CD1 3.69Å; Y415-I528 HydrophobicContact CG-CD1 3.91Å; Y415-L537 HydrophobicContact CD1-CD1 4.15Å; Y415-L537 HydrophobicContact CE1-CD1 4.41Å; Y415-L550 HydrophobicContact CE1-CD1 3.95Å
416	V	96.2	Very high	81.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126.9	-178.8	-174.2	0	0	0	0	110.5	L275 L365 S404 L414 Y418 C431 Y433	L275-V416 HydrophobicContact CD2-CG1 4.12Å; L275-V416 HydrophobicContact CD2-CG2 3.92Å; L365-V416 HydrophobicContact CD1-CG2 4.35Å; S404-V416 WeakPolarHBondContact O-CA 3.28Å; L414-V416 HydrophobicContact CD1-CG2 4.46Å; L414-V416 HydrophobicContact CD2-CG2 4.16Å; L414-V416 HydrophobicContact CG-CG2 3.85Å; V416-Y418 HydrophobicContact CB-CD2 4.21Å; V416-Y418 HydrophobicContact CB-CE2 3.6Å; V416-Y418 HydrophobicContact CG1-CD2 3.85Å; V416-Y418 HydrophobicContact CG1-CE1 4.3Å; V416-Y418 HydrophobicContact CG1-CE2 3.4Å; V416-Y418 VanDerWaalsContact CG1-CE2 3.4Å; V416-Y418 HydrophobicContact CG1-CG 4.47Å; V416-Y418 WeakPolarHBondContact O-CD2 3.24Å; V416-C431 PolarHBondContact N-O 2.61Å; V416-C431 PolarHBondContact O-N 2.84Å; V416-Y433 HydrophobicContact CB-CE2 4.23Å; V416-Y433 HydrophobicContact CG2-CD2 4.15Å; V416-Y433 HydrophobicContact CG2-CE2 3.97Å
417	S	94.8	Very high	80.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.9	168.3	62.4	0	0	0	0	110.5	S402 I403 S404 W523	S402-S417 CarbonylContact C-O 3.58Å; S402-S417 WeakPolarHBondContact CA-O 3.26Å; I403-S417 PolarHBondContact N-O 3.36Å; S404-S417 PolarHBondContact N-OG 3.48Å; S404-S417 VanDerWaalsContact N-OG 3.13Å; S404-S417 PolarHBondContact O-N 3.08Å; S404-S417 PolarHBondContact O-OG 3.17Å; S404-S417 PolarHBondContact OG-OG 3.39Å; S417-W523 PolarHBondContact OG-O 2.9Å
418	Y	92.2	Very high	79.8	Confident	1 Å²	1	47 Å²	47	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157	179.2	-66.2	-97.7	0	0	0	111.6	T336 L365 C367 Y399 Y401 V416 D428 A429 C431 Y433	T336-Y418 HydrophobicContact CG2-CE1 3.96Å; T336-Y418 WeakPolarHBondContact OG1-CE1 3.39Å; L365-Y418 WeakPolarHBondContact CB-OH 3.36Å; C367-Y418 HydrophobicContact CB-CD1 4.33Å; C367-Y418 HydrophobicContact CB-CD2 3.72Å; C367-Y418 HydrophobicContact CB-CE1 4.16Å; C367-Y418 HydrophobicContact CB-CE2 3.53Å; C367-Y418 HydrophobicContact CB-CG 4.11Å; Y399-Y418 WeakPolarHBondContact O-CD1 3.31Å; Y399-Y418 WeakPolarHBondContact O-CE1 3.42Å; Y401-Y418 CarbonylContact O-C 3.6Å; Y401-Y418 WeakPolarHBondContact O-CA 3.4Å; V416-Y418 HydrophobicContact CB-CD2 4.21Å; V416-Y418 HydrophobicContact CB-CE2 3.6Å; V416-Y418 HydrophobicContact CG1-CD2 3.85Å; V416-Y418 HydrophobicContact CG1-CE1 4.3Å; V416-Y418 HydrophobicContact CG1-CE2 3.4Å; V416-Y418 VanDerWaalsContact CG1-CE2 3.4Å; V416-Y418 HydrophobicContact CG1-CG 4.47Å; V416-Y418 WeakPolarHBondContact O-CD2 3.24Å; Y418-D428 CarbonylContact O-C 3.57Å; Y418-D428 VanDerWaalsContact O-CA 3.27Å; Y418-D428 WeakPolarHBondContact O-CA 3.35Å; Y418-A429 PolarHBondContact N-O 2.92Å; Y418-A429 PolarHBondContact O-N 2.59Å; Y418-C431 HydrophobicContact CD2-CB 4.24Å; Y418-C431 HydrophobicContact CE2-CB 3.85Å; Y418-Y433 HydrophobicContact CE2-CE2 4.22Å; Y418-Y433 PolarHBondContact OH-OH 3.39Å
419	Q	85.5	Confident	79.6	Confident	36 Å²	36	46.7 Å²	46.7	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.5	165.6	-102.5	160.9	3.7	0	0	111.4	Y401 I403 G427 D428 L521	Y401-Q419 HydrophobicContact CD1-CB 4.03Å; Y401-Q419 PolarHBondContact N-O 2.9Å; Y401-Q419 PolarHBondContact O-N 2.82Å; I403-Q419 HydrophobicContact CD1-CB 4.25Å; I403-Q419 VanDerWaalsContact CD1-CD 3.48Å; I403-Q419 HydrophobicContact CD1-CG 3.78Å; I403-Q419 HydrophobicContact CG1-CB 4.42Å; I403-Q419 HydrophobicContact CG1-CG 4.47Å; Q419-G427 CarbonylContact C-O 3.58Å; Q419-G427 WeakPolarHBondContact CA-O 3.12Å; Q419-D428 WeakPolarHBondContact CG-OD1 3.32Å; Q419-D428 PolarHBondContact NE2-OD1 3.31Å; Q419-L521 PolarHBondContact NE2-O 2.87Å
420	T	75.9	Confident	79.8	Confident	16 Å²	16	42.5 Å²	42.5	10%	0.098	22%	0.219	C	C	.	.			trans	-62.4	143.3	163.2	51	0	0	0	0	110.6	Y399 P425 T426 G427	Y399-T420 HydrophobicContact CD1-CG2 3.75Å; Y399-T420 HydrophobicContact CE1-CG2 3.56Å; T420-P425 WeakPolarHBondContact CB-O 3.43Å; T420-P425 PolarHBondContact OG1-O 2.82Å; T420-T426 WeakPolarHBondContact OG1-CA 3.42Å; T420-G427 PolarHBondContact N-O 2.93Å; T420-G427 PolarHBondContact OG1-N 2.75Å
421	G	62.3	Low	80.2	Confident	14 Å²	14	36.5 Å²	36.5	14%	0.144	19%	0.188	C	C	.	.			trans	-72.7	158.7	172.5	0	0	0	0	0	111.7	K423 Y424	G421-K423 PolarHBondContact O-N 2.93Å; G421-Y424 PolarHBondContact O-N 3.24Å; G421-Y424 VanDerWaalsContact O-N 3.07Å
422	M	53.3	Low	80.6	Confident	157 Å²	157	34.5 Å²	34.5	77%	0.773	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	9.3	-173.8	-54.4	175.5	75.6	0	0	117.5	L1520	M422-L1520 HydrophobicContact CE-CD2 3.88Å; M422-L1520 HydrophobicContact SD-CD2 3.74Å
423	K	50	Low	80.7	Confident	133 Å²	133	31.1 Å²	31.1	58%	0.578	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-6.7	175.3	-68.8	179.9	177.6	173.8	0	113.5	G421	G421-K423 PolarHBondContact O-N 2.93Å
424	Y	57.6	Low	80.8	Confident	108 Å²	108	31.2 Å²	31.2	42%	0.424	16%	0.163	S	C	.	.	S	Bend	trans	-125.4	160.4	-173.5	-64.1	-78	0	0	0	110.2	L394 F397 G421	L394-Y424 HydrophobicContact CD1-CE1 4.02Å; F397-Y424 HydrophobicContact CE1-CD1 4.16Å; G421-Y424 PolarHBondContact O-N 3.24Å; G421-Y424 VanDerWaalsContact O-N 3.07Å
425	P	58.2	Low	80.7	Confident	70 Å²	70	32.5 Å²	32.5	46%	0.455	17%	0.17	S	C	.	.			trans	-53.3	142.8	169.8	23.1	-34.4	0	0	0	110.7	Y377 F397 T420 G427	Y377-P425 HydrophobicContact CD1-CG 4.07Å; Y377-P425 HydrophobicContact CE1-CG 4.1Å; F397-P425 HydrophobicContact CE1-CG 4.38Å; T420-P425 WeakPolarHBondContact CB-O 3.43Å; T420-P425 PolarHBondContact OG1-O 2.82Å; P425-G427 PolarHBondContact O-N 3.45Å
426	T	64.1	Low	80.6	Confident	86 Å²	86	38.3 Å²	38.3	53%	0.528	20%	0.201	S	C	.	.			trans	-64.3	121.5	-178.7	42.9	0	0	0	0	110.4	T420	T420-T426 WeakPolarHBondContact OG1-CA 3.42Å
427	G	71.5	Confident	80.5	Confident	2 Å²	2	41.1 Å²	41.1	2%	0.021	22%	0.216	C	C	.	.			trans	-156.1	144.7	-178.2	0	0	0	0	0	111.8	Q419 T420 P425 R507	Q419-G427 CarbonylContact C-O 3.58Å; Q419-G427 WeakPolarHBondContact CA-O 3.12Å; T420-G427 PolarHBondContact N-O 2.93Å; T420-G427 PolarHBondContact OG1-N 2.75Å; P425-G427 PolarHBondContact O-N 3.45Å; G427-R507 CarbonylContact C-O 3.57Å; G427-R507 VanDerWaalsContact C-O 3.28Å; G427-R507 WeakPolarHBondContact CA-O 3.49Å
428	D	84.6	Confident	80.5	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.011	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.2	-177.5	-53.5	-44.4	0	0	0	110.2	Y418 Q419 I506 R507 L521 G522 W523	Y418-D428 CarbonylContact O-C 3.57Å; Y418-D428 VanDerWaalsContact O-CA 3.27Å; Y418-D428 WeakPolarHBondContact O-CA 3.35Å; Q419-D428 WeakPolarHBondContact CG-OD1 3.32Å; Q419-D428 PolarHBondContact NE2-OD1 3.31Å; D428-I506 CarbonylContact O-C 3.57Å; D428-I506 WeakPolarHBondContact O-CA 3.41Å; D428-R507 HydrophobicContact CB-CB 4.3Å; D428-R507 PolarHBondContact N-O 3.3Å; D428-R507 PolarHBondContact O-N 2.88Å; D428-L521 WeakPolarHBondContact OD2-CD2 3.44Å; D428-G522 VanDerWaalsContact OD1-CA 3.25Å; D428-G522 WeakPolarHBondContact OD1-CA 3.32Å; D428-G522 PolarHBondContact OD1-N 2.95Å; D428-G522 PolarHBondContact OD2-N 2.63Å; D428-W523 HydrophobicContact CB-CE3 4Å; D428-W523 HydrophobicContact CB-CH2 4.25Å; D428-W523 HydrophobicContact CB-CZ3 3.72Å
429	A	89.3	Confident	80.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138	174	0	0	0	0	0	111.5	Y399 Y418 P503 I505	Y399-A429 HydrophobicContact CD1-CB 3.47Å; Y399-A429 VanDerWaalsContact CD1-CB 3.47Å; Y399-A429 HydrophobicContact CD2-CB 3.76Å; Y399-A429 HydrophobicContact CE1-CB 3.65Å; Y399-A429 HydrophobicContact CE2-CB 3.95Å; Y399-A429 HydrophobicContact CG-CB 3.53Å; Y418-A429 PolarHBondContact N-O 2.92Å; Y418-A429 PolarHBondContact O-N 2.59Å; A429-P503 HydrophobicContact CB-CB 4.08Å; A429-P503 HydrophobicContact CB-CG 4.3Å; A429-I505 WeakPolarHBondContact CA-O 3.49Å
430	L	92.8	Very high	81.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.8	172.2	-177.9	76.1	0	0	0	108.4	P503 L504 I505 W523 I526 L537 L539	L430-P503 CarbonylContact O-C 3.54Å; L430-P503 WeakPolarHBondContact O-CA 3.28Å; L430-P503 WeakPolarHBondContact O-CB 3.21Å; L430-L504 HydrophobicContact CD2-CB 4.46Å; L430-L504 HydrophobicContact CD2-CD2 4.23Å; L430-L504 PolarHBondContact O-N 2.86Å; L430-I505 HydrophobicContact CB-CB 4.04Å; L430-I505 HydrophobicContact CB-CD1 4.34Å; L430-I505 HydrophobicContact CB-CG1 4.18Å; L430-I505 HydrophobicContact CD2-CD1 3.79Å; L430-I505 HydrophobicContact CD2-CG1 4.06Å; L430-I505 PolarHBondContact N-O 2.84Å; L430-W523 HydrophobicContact CB-CH2 4.25Å; L430-W523 HydrophobicContact CB-CZ3 4.03Å; L430-I526 HydrophobicContact CD1-CD1 3.96Å; L430-L537 HydrophobicContact CD2-CD2 3.63Å; L430-L539 HydrophobicContact CD1-CD2 4.33Å; L430-L539 HydrophobicContact CD2-CD1 4.23Å
431	C	94.2	Very high	82	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.8	173.3	-84.9	0	0	0	0	110.1	C367 V416 Y418 Y433 P498	C367-C431 VanDerWaalsContact CA-SG 3.51Å; C367-C431 HydrophobicContact CB-CB 3.85Å; C367-C431 WeakPolarHBondContact CB-SG 3.5Å; C367-C431 WeakPolarHBondContact SG-CB 3.26Å; C367-C431 CovalentContact SG-SG 2.05Å; C367-C431 PolarHBondContact SG-SG 3.33Å; V416-C431 PolarHBondContact N-O 2.61Å; V416-C431 PolarHBondContact O-N 2.84Å; Y418-C431 HydrophobicContact CD2-CB 4.24Å; Y418-C431 HydrophobicContact CE2-CB 3.85Å; C431-Y433 HydrophobicContact CB-CE2 3.9Å; C431-P498 HydrophobicContact CB-CB 3.97Å
432	V	93.9	Very high	83.6	Confident	6 Å²	6	43 Å²	43	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.6	-179.6	-171.9	0	0	0	0	108.8	K413 L414 Y415 P498 I499 L504	K413-V432 HydrophobicContact CB-CG1 4.04Å; K413-V432 HydrophobicContact CD-CG1 4.24Å; K413-V432 HydrophobicContact CG-CG1 4.36Å; L414-V432 WeakPolarHBondContact O-CA 3.32Å; Y415-V432 HydrophobicContact CD1-CB 4.4Å; Y415-V432 HydrophobicContact CD1-CG1 4.08Å; Y415-V432 HydrophobicContact CD1-CG2 3.46Å; Y415-V432 VanDerWaalsContact CD1-CG2 3.46Å; Y415-V432 HydrophobicContact CD2-CG1 4.26Å; Y415-V432 HydrophobicContact CE1-CB 4.48Å; Y415-V432 HydrophobicContact CE1-CG1 3.94Å; Y415-V432 HydrophobicContact CE1-CG2 3.64Å; Y415-V432 HydrophobicContact CE2-CG1 4.11Å; Y415-V432 HydrophobicContact CG-CG1 4.23Å; Y415-V432 HydrophobicContact CG-CG2 4.17Å; V432-P498 CarbonylContact O-C 3.59Å; V432-P498 VanDerWaalsContact O-CA 3.23Å; V432-P498 WeakPolarHBondContact O-CA 3.48Å; V432-I499 HydrophobicContact CG1-CD1 4.12Å; V432-I499 PolarHBondContact O-N 3.41Å; V432-L504 HydrophobicContact CG2-CB 4.38Å; V432-L504 HydrophobicContact CG2-CD2 3.78Å
433	Y	95.2	Very high	85.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133	-175.5	-54.8	-84.3	0	0	0	110.1	L365 E366 K413 L414 V416 Y418 C431 V496 H497 P498	L365-Y433 HydrophobicContact CB-CE1 4.48Å; L365-Y433 HydrophobicContact CD1-CD2 4.31Å; L365-Y433 HydrophobicContact CD1-CE2 4.09Å; E366-Y433 WeakPolarHBondContact O-CE1 3.5Å; E366-Y433 PolarHBondContact O-OH 3Å; K413-Y433 CarbonylContact C-O 3.59Å; K413-Y433 WeakPolarHBondContact CA-O 3.16Å; L414-Y433 PolarHBondContact N-O 3.33Å; L414-Y433 PolarHBondContact O-N 2.9Å; V416-Y433 HydrophobicContact CB-CE2 4.23Å; V416-Y433 HydrophobicContact CG2-CD2 4.15Å; V416-Y433 HydrophobicContact CG2-CE2 3.97Å; Y418-Y433 HydrophobicContact CE2-CE2 4.22Å; Y418-Y433 PolarHBondContact OH-OH 3.39Å; C431-Y433 HydrophobicContact CB-CE2 3.9Å; Y433-V496 HydrophobicContact CD1-CB 4.3Å; Y433-V496 HydrophobicContact CD1-CG1 3.7Å; Y433-V496 HydrophobicContact CE1-CG1 4.49Å; Y433-V496 HydrophobicContact CG-CG1 4.31Å; Y433-H497 WeakPolarHBondContact CD1-O 3.33Å; Y433-P498 HydrophobicContact CD1-CB 4.38Å; Y433-P498 HydrophobicContact CE1-CB 4.03Å
434	A	93.1	Very high	87.5	Confident	22 Å²	22	31.2 Å²	31.2	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	149.7	175.2	0	0	0	0	0	111.5	N436 D437 I438 I499	A434-N436 PolarHBondContact O-N 2.84Å; A434-D437 PolarHBondContact O-N 2.82Å; A434-I438 PolarHBondContact O-N 2.95Å; A434-I499 HydrophobicContact CB-CD1 4.23Å; A434-I499 HydrophobicContact CB-CG1 4.42Å
435	L	94	Very high	89.1	Confident	28 Å²	28	31.1 Å²	31.1	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-35.8	178.6	-174.9	55.5	0	0	0	113.4	T268 W407 N412 I438 E439	T268-L435 HydrophobicContact CG2-CD1 3.92Å; T268-L435 HydrophobicContact CG2-CD2 4.1Å; W407-L435 HydrophobicContact CH2-CB 4.08Å; W407-L435 HydrophobicContact CH2-CD1 4.03Å; W407-L435 HydrophobicContact CH2-CD2 4.23Å; W407-L435 HydrophobicContact CH2-CG 4.33Å; N412-L435 HydrophobicContact CB-CB 4.07Å; N412-L435 HydrophobicContact CB-CD2 4.26Å; N412-L435 PolarHBondContact O-N 3.11Å; L435-I438 WeakPolarHBondContact O-CB 3.46Å; L435-I438 PolarHBondContact O-N 3.38Å; L435-E439 HydrophobicContact CD1-CG 3.99Å; L435-E439 HydrophobicContact CG-CG 4.26Å; L435-E439 WeakPolarHBondContact O-CB 3.25Å; L435-E439 WeakPolarHBondContact O-CG 3.38Å; L435-E439 PolarHBondContact O-N 2.9Å
436	N	93.5	Very high	90.7	Very high	124 Å²	124	27.9 Å²	27.9	66%	0.663	15%	0.154	S	C	*	.	H	α-helix	trans	-62.5	-45.1	179.8	-64	-12.1	0	0	0	111.4	A434 I438 E439 D440	A434-N436 PolarHBondContact O-N 2.84Å; N436-I438 VanDerWaalsContact C-N 3.32Å; N436-I438 PolarHBondContact O-N 3.37Å; N436-E439 PolarHBondContact O-N 2.78Å; N436-D440 WeakPolarHBondContact O-CB 3.44Å; N436-D440 PolarHBondContact O-N 2.89Å
437	D	94.4	Very high	91.7	Very high	58 Å²	58	24.6 Å²	24.6	31%	0.31	14%	0.135	S	C	.	.	H	α-helix	trans	-66	-34.9	178.1	-66.2	-66.1	0	0	0	112.6	A434 A441 V496	A434-D437 PolarHBondContact O-N 2.82Å; D437-A441 VanDerWaalsContact O-CB 3.3Å; D437-A441 WeakPolarHBondContact O-CB 3.39Å; D437-A441 PolarHBondContact O-N 3.21Å; D437-V496 HydrophobicContact CB-CG1 4.05Å
438	I	95.8	Very high	92.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-52.1	174.1	-68.7	168.7	0	0	0	110.2	Y273 L338 L414 A434 L435 N436 A441 F442 V496	Y273-I438 HydrophobicContact CE1-CG2 3.97Å; L338-I438 HydrophobicContact CD2-CD1 4.06Å; L338-I438 HydrophobicContact CD2-CG1 4.19Å; L338-I438 HydrophobicContact CD2-CG2 3.65Å; L414-I438 HydrophobicContact CB-CD1 4.29Å; L414-I438 HydrophobicContact CD2-CD1 4.48Å; A434-I438 PolarHBondContact O-N 2.95Å; L435-I438 WeakPolarHBondContact O-CB 3.46Å; L435-I438 PolarHBondContact O-N 3.38Å; N436-I438 VanDerWaalsContact C-N 3.32Å; N436-I438 PolarHBondContact O-N 3.37Å; I438-A441 PolarHBondContact O-N 3.31Å; I438-A441 VanDerWaalsContact O-N 3.14Å; I438-F442 HydrophobicContact CG2-CD2 3.8Å; I438-F442 HydrophobicContact CG2-CE2 3.79Å; I438-F442 VanDerWaalsContact O-CD2 3.28Å; I438-F442 WeakPolarHBondContact O-CD2 3.44Å; I438-F442 PolarHBondContact O-N 2.73Å; I438-V496 HydrophobicContact CG1-CG1 3.79Å; I438-V496 HydrophobicContact CG1-CG2 4.36Å
439	E	94.6	Very high	91.8	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.075	15%	0.147	C	C	.	.	H	α-helix	trans	-67.8	-41.5	-176.5	-75.3	-85	-103.4	0	0	112.5	Y273 R340 L435 N436 A441 F442 N443 K467	Y273-E439 PolarHBondContact OH-OE2 3.47Å; Y273-E439 VanDerWaalsContact OH-OE2 3.05Å; R340-E439 IonicContact CZ-OE2 3.88Å; R340-E439 IonicContact NH1-OE2 2.73Å; R340-E439 PolarHBondContact NH1-OE2 2.87Å; L435-E439 HydrophobicContact CD1-CG 3.99Å; L435-E439 HydrophobicContact CG-CG 4.26Å; L435-E439 WeakPolarHBondContact O-CB 3.25Å; L435-E439 WeakPolarHBondContact O-CG 3.38Å; L435-E439 PolarHBondContact O-N 2.9Å; N436-E439 PolarHBondContact O-N 2.78Å; E439-A441 PolarHBondContact O-N 2.86Å; E439-F442 PolarHBondContact O-N 2.67Å; E439-N443 WeakPolarHBondContact O-CB 3.49Å; E439-N443 VanDerWaalsContact O-CG 3.29Å; E439-N443 PolarHBondContact O-N 2.9Å; E439-N443 PolarHBondContact O-ND2 2.71Å; E439-K467 WeakPolarHBondContact OE1-CE 3.27Å; E439-K467 IonicContact OE1-NZ 2.82Å; E439-K467 PolarHBondContact OE1-NZ 3.03Å
440	D	94.3	Very high	90.8	Very high	90 Å²	90	29.8 Å²	29.8	48%	0.481	16%	0.162	S	C	.	.	H	α-helix	trans	-52.6	-43.8	168.6	-93.9	16.2	0	0	0	111.7	N436 N443 S444 K494	N436-D440 WeakPolarHBondContact O-CB 3.44Å; N436-D440 PolarHBondContact O-N 2.89Å; D440-N443 CarbonylContact O-C 3.57Å; D440-N443 PolarHBondContact O-N 2.75Å; D440-S444 PolarHBondContact O-N 3.42Å; D440-K494 HydrophobicContact CB-CD 4.27Å; D440-K494 IonicContact OD2-NZ 3.83Å; D440-K494 PolarHBondContact OD2-NZ 3.26Å
441	A	95.3	Very high	89.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72.7	-35.8	-176.7	0	0	0	0	0	111.9	V363 D437 I438 E439 N443 S444 R492 K494 V496	V363-A441 HydrophobicContact CG2-CB 3.74Å; D437-A441 VanDerWaalsContact O-CB 3.3Å; D437-A441 WeakPolarHBondContact O-CB 3.39Å; D437-A441 PolarHBondContact O-N 3.21Å; I438-A441 PolarHBondContact O-N 3.31Å; I438-A441 VanDerWaalsContact O-N 3.14Å; E439-A441 PolarHBondContact O-N 2.86Å; A441-N443 VanDerWaalsContact C-N 3.34Å; A441-S444 WeakPolarHBondContact O-CB 3.25Å; A441-S444 PolarHBondContact O-N 2.84Å; A441-S444 PolarHBondContact O-OG 2.86Å; A441-R492 WeakPolarHBondContact O-CB 2.93Å; A441-K494 HydrophobicContact CB-CB 4.12Å; A441-K494 HydrophobicContact CB-CD 4.06Å; A441-K494 HydrophobicContact CB-CG 4.04Å; A441-V496 HydrophobicContact CB-CG2 3.78Å
442	F	95	Very high	87.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.2	-28.3	169.8	-81.6	-69.1	0	0	0	114.3	Y273 L338 R340 V363 I438 E439 S444 R492	Y273-F442 HydrophobicContact CD1-CE2 4.1Å; Y273-F442 HydrophobicContact CE1-CD2 4.03Å; Y273-F442 AromaticContact CE1-CE2 3.61Å; Y273-F442 HydrophobicContact CE1-CE2 3.61Å; Y273-F442 HydrophobicContact CE1-CZ 4.33Å; L338-F442 HydrophobicContact CD2-CE2 4.11Å; L338-F442 HydrophobicContact CG-CE2 4.33Å; L338-F442 HydrophobicContact CG-CZ 4.42Å; L338-F442 WeakPolarHBondContact O-CZ 3.46Å; R340-F442 HydrophobicContact CB-CD1 3.88Å; R340-F442 HydrophobicContact CB-CD2 4.22Å; R340-F442 HydrophobicContact CB-CE1 3.5Å; R340-F442 HydrophobicContact CB-CE2 3.88Å; R340-F442 HydrophobicContact CB-CG 4.22Å; R340-F442 HydrophobicContact CB-CZ 3.49Å; R340-F442 VanDerWaalsContact CB-CZ 3.49Å; R340-F442 VanDerWaalsContact CZ-CB 3.48Å; V363-F442 HydrophobicContact CB-CE1 4.13Å; V363-F442 HydrophobicContact CB-CE2 4.35Å; V363-F442 HydrophobicContact CB-CZ 4.04Å; V363-F442 HydrophobicContact CG1-CD2 4.21Å; V363-F442 HydrophobicContact CG1-CE1 4.07Å; V363-F442 HydrophobicContact CG1-CE2 3.54Å; V363-F442 HydrophobicContact CG1-CZ 3.47Å; V363-F442 VanDerWaalsContact CG1-CZ 3.47Å; I438-F442 HydrophobicContact CG2-CD2 3.8Å; I438-F442 HydrophobicContact CG2-CE2 3.79Å; I438-F442 VanDerWaalsContact O-CD2 3.28Å; I438-F442 WeakPolarHBondContact O-CD2 3.44Å; I438-F442 PolarHBondContact O-N 2.73Å; E439-F442 PolarHBondContact O-N 2.67Å; F442-S444 VanDerWaalsContact C-N 3.35Å; F442-R492 HydrophobicContact CD1-CG 4.49Å; F442-R492 WeakPolarHBondContact O-CD 3.32Å; F442-R492 PolarHBondContact O-NE 3.49Å
443	N	93.6	Very high	85.6	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-80	-15.6	172.7	-73.2	-23	0	0	0	113	E439 D440 A441 N460 N464	E439-N443 WeakPolarHBondContact O-CB 3.49Å; E439-N443 VanDerWaalsContact O-CG 3.29Å; E439-N443 PolarHBondContact O-N 2.9Å; E439-N443 PolarHBondContact O-ND2 2.71Å; D440-N443 CarbonylContact O-C 3.57Å; D440-N443 PolarHBondContact O-N 2.75Å; A441-N443 VanDerWaalsContact C-N 3.34Å; N443-N460 WeakPolarHBondContact O-CB 3.45Å; N443-N460 PolarHBondContact O-ND2 2.77Å; N443-N464 PolarHBondContact ND2-OD1 3.36Å; N443-N464 PolarHBondContact OD1-N 2.93Å
444	S	93.1	Very high	83.6	Confident	22 Å²	22	48.8 Å²	48.8	15%	0.154	28%	0.275	C	S	.	.	S	Bend	trans	-66.4	173.1	-178.8	81.2	0	0	0	0	114.5	D440 A441 F442 N460 R492 K494	D440-S444 PolarHBondContact O-N 3.42Å; A441-S444 WeakPolarHBondContact O-CB 3.25Å; A441-S444 PolarHBondContact O-N 2.84Å; A441-S444 PolarHBondContact O-OG 2.86Å; F442-S444 VanDerWaalsContact C-N 3.35Å; S444-N460 WeakPolarHBondContact O-CB 3.28Å; S444-R492 WeakPolarHBondContact O-CD 3.4Å; S444-K494 VanDerWaalsContact CB-CB 3.48Å; S444-K494 VanDerWaalsContact OG-CB 3.32Å; S444-K494 WeakPolarHBondContact OG-CB 3.43Å; S444-K494 PolarHBondContact OG-N 3.43Å; S444-K494 VanDerWaalsContact OG-N 3.13Å
445	Q	91.7	Very high	82	Confident	106 Å²	106	54.7 Å²	54.7	50%	0.495	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-50.8	147.1	180	-64.9	175.8	-9.9	0	0	113.2	I457 V493	Q445-I457 HydrophobicContact CB-CG2 3.82Å; Q445-V493 HydrophobicContact CB-CB 4.14Å; Q445-V493 HydrophobicContact CB-CG2 3.96Å; Q445-V493 WeakPolarHBondContact O-CG2 3.15Å; Q445-V493 PolarHBondContact O-N 3.36Å
446	L	90.7	Very high	80.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.4	-173.9	-49.1	179.3	0	0	0	109.9	L458 N460 L485 H489	L446-L458 HydrophobicContact CB-CB 4.25Å; L446-L458 HydrophobicContact CD1-CB 4.4Å; L446-L458 PolarHBondContact N-O 3.24Å; L446-L458 PolarHBondContact O-N 2.85Å; L446-N460 HydrophobicContact CD2-CB 4.02Å; L446-N460 HydrophobicContact CG-CB 4.21Å; L446-L485 HydrophobicContact CD1-CD2 4.18Å; L446-H489 HydrophobicContact CB-CB 3.93Å
447	A	85.4	Confident	80.4	Confident	17 Å²	17	58 Å²	58	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.5	177.4	0	0	0	0	0	110.8	H489 L491 V493	A447-H489 WeakPolarHBondContact O-CA 3.49Å; A447-L491 HydrophobicContact CB-CB 3.88Å; A447-L491 PolarHBondContact N-O 2.73Å; A447-V493 HydrophobicContact CB-CG2 3.88Å
448	P	80.5	Confident	79.9	Confident	39 Å²	39	58 Å²	58	25%	0.253	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.9	146.4	175.4	28.6	-34.2	0	0	0	111
449	N	77.8	Confident	79.4	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-61.9	136.8	178.1	-65.6	-15.3	0	0	0	111.4	V254 N451 L452 T488 L490	V254-N449 HydrophobicContact CG1-CB 3.82Å; V254-N449 WeakPolarHBondContact CG1-ND2 3.21Å; N449-N451 PolarHBondContact O-N 3.46Å; N449-L452 HydrophobicContact CB-CD1 3.86Å; N449-L452 PolarHBondContact O-N 3.02Å; N449-T488 VanDerWaalsContact CG-O 3.3Å; N449-T488 PolarHBondContact N-O 2.83Å; N449-T488 PolarHBondContact ND2-O 3.5Å; N449-T488 PolarHBondContact OD1-O 3.3Å; N449-L490 VanDerWaalsContact OD1-CB 3.3Å; N449-L490 WeakPolarHBondContact OD1-CB 3.03Å; N449-L490 WeakPolarHBondContact OD1-CG 3.38Å; N449-L490 PolarHBondContact OD1-N 3.4Å
450	E	68.8	Low	79	Confident	70 Å²	70	62.1 Å²	62.1	33%	0.327	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-20.1	-167.6	-62.6	-173.8	162	0	0	116	S281 R337 L491	S281-E450 VanDerWaalsContact CB-OE2 3.3Å; S281-E450 WeakPolarHBondContact CB-OE2 3.36Å; S281-E450 PolarHBondContact N-OE2 3.06Å; S281-E450 PolarHBondContact OG-OE2 3.32Å; R337-E450 IonicContact CZ-OE1 2.73Å; R337-E450 IonicContact NH1-OE1 3.32Å; R337-E450 IonicContact NH2-OE1 3.98Å; R337-E450 PolarHBondContact NH2-OE1 3.03Å; E450-L491 HydrophobicContact CG-CD1 3.87Å
451	N	60.2	Low	78.5	Confident	73 Å²	73	62.8 Å²	62.8	39%	0.39	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.1	-177.5	-66	-15	0	0	0	114	V254 S281 N449	V254-N451 HydrophobicContact CG2-CB 4.42Å; S281-N451 PolarHBondContact OG-OD1 3.2Å; N449-N451 PolarHBondContact O-N 3.46Å
452	L	56.8	Low	77.9	Confident	82 Å²	82	63.6 Å²	63.6	43%	0.429	36%	0.36	S	S	.	.			trans	-90.2	117.5	176.3	-79.4	97.5	0	0	0	111.2	N449 K454	N449-L452 HydrophobicContact CB-CD1 3.86Å; N449-L452 PolarHBondContact O-N 3.02Å; L452-K454 PolarHBondContact O-N 2.92Å
453	G	52.8	Low	77.3	Confident	83 Å²	83	69.3 Å²	69.3	86%	0.856	39%	0.386	S	S	*	.			trans	-72.5	43.6	175.6	0	0	0	0	0	115
454	K	55	Low	77	Confident	167 Å²	167	70.8 Å²	70.8	73%	0.726	39%	0.394	S	S	*	.			trans	-124.5	118.9	176	-69.4	-172.3	176.5	-175.5	0	109.5	L452 Q456	L452-K454 PolarHBondContact O-N 2.92Å; K454-Q456 PolarHBondContact O-N 3.19Å
455	T	57.7	Low	76.8	Confident	147 Å²	147	70.3 Å²	70.3	90%	0.902	39%	0.39	S	S	*	.			trans	-102.5	59.7	-159.3	55.1	0	0	0	0	112.8
456	Q	72.3	Confident	76.9	Confident	133 Å²	133	65.3 Å²	65.3	62%	0.621	37%	0.367	S	S	*	.			trans	-130.4	125.8	177.9	-168.6	169	7	0	0	111.6	K454 L458	K454-Q456 PolarHBondContact O-N 3.19Å; Q456-L458 HydrophobicContact CG-CD2 4.02Å
457	I	82	Confident	76.9	Confident	89 Å²	89	69.5 Å²	69.5	46%	0.456	39%	0.385	S	S	.	.			trans	-82.4	137.4	164.7	-68.5	168.8	0	0	0	107.5	Q445 V493	Q445-I457 HydrophobicContact CB-CG2 3.82Å; I457-V493 HydrophobicContact CD1-CG2 4.08Å; I457-V493 HydrophobicContact CG1-CG2 4.12Å; I457-V493 HydrophobicContact CG2-CG2 3.8Å
458	L	84.5	Confident	77.2	Confident	56 Å²	56	70.9 Å²	70.9	29%	0.293	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-110.7	145.1	177.1	-60.9	-179.8	0	0	0	111.4	L446 Q456 H489	L446-L458 HydrophobicContact CB-CB 4.25Å; L446-L458 HydrophobicContact CD1-CB 4.4Å; L446-L458 PolarHBondContact N-O 3.24Å; L446-L458 PolarHBondContact O-N 2.85Å; Q456-L458 HydrophobicContact CG-CD2 4.02Å; L458-H489 VanDerWaalsContact CD1-CE1 3.41Å; L458-H489 WeakPolarHBondContact CD1-CE1 3.09Å
459	P	85.8	Confident	77.6	Confident	87 Å²	87	70.1 Å²	70.1	57%	0.565	38%	0.384	S	S	*	.			trans	-63.1	141.5	167.1	29.2	-34.3	0	0	0	109.7	T461	P459-T461 PolarHBondContact O-N 2.83Å
460	N	86.6	Confident	78.1	Confident	16 Å²	16	72.7 Å²	72.7	9%	0.086	41%	0.406	C	S	.	.			trans	-75.2	110.2	173	-178.7	22.9	0	0	0	109.4	N443 S444 L446 F462 E463	N443-N460 WeakPolarHBondContact O-CB 3.45Å; N443-N460 PolarHBondContact O-ND2 2.77Å; S444-N460 WeakPolarHBondContact O-CB 3.28Å; L446-N460 HydrophobicContact CD2-CB 4.02Å; L446-N460 HydrophobicContact CG-CB 4.21Å; N460-F462 VanDerWaalsContact C-N 3.27Å; N460-F462 PolarHBondContact ND2-O 2.92Å; N460-F462 VanDerWaalsContact ND2-O 3.13Å; N460-F462 PolarHBondContact OD1-N 3.27Å; N460-F462 PolarHBondContact OD1-O 3.45Å; N460-E463 PolarHBondContact ND2-N 3.37Å
461	T	82.9	Confident	79	Confident	104 Å²	104	72.1 Å²	72.1	64%	0.638	41%	0.41	S	S	*	.	S	Bend	trans	-86.6	1.4	176.2	40.9	0	0	0	0	113.1	P459	P459-T461 PolarHBondContact O-N 2.83Å
462	F	81.7	Confident	80.1	Confident	17 Å²	17	71.7 Å²	71.7	8%	0.075	42%	0.422	C	S	.	.			trans	-130.5	64	179.4	-50.2	-82.5	0	0	0	109.8	N460 V465 N478 K481 I482 L485	N460-F462 VanDerWaalsContact C-N 3.27Å; N460-F462 PolarHBondContact ND2-O 2.92Å; N460-F462 VanDerWaalsContact ND2-O 3.13Å; N460-F462 PolarHBondContact OD1-N 3.27Å; N460-F462 PolarHBondContact OD1-O 3.45Å; F462-V465 HydrophobicContact CB-CG2 3.89Å; F462-V465 WeakPolarHBondContact O-CG2 3.37Å; F462-N478 HydrophobicContact CE1-CB 4.03Å; F462-K481 HydrophobicContact CE1-CB 4.25Å; F462-K481 HydrophobicContact CE1-CD 4.41Å; F462-K481 HydrophobicContact CE2-CB 4.04Å; F462-K481 HydrophobicContact CZ-CB 3.42Å; F462-K481 VanDerWaalsContact CZ-CB 3.42Å; F462-K481 HydrophobicContact CZ-CD 3.76Å; F462-K481 HydrophobicContact CZ-CG 4.22Å; F462-I482 HydrophobicContact CD1-CD1 3.97Å; F462-I482 HydrophobicContact CD1-CG1 3.86Å; F462-I482 HydrophobicContact CD2-CG1 4.34Å; F462-I482 HydrophobicContact CE1-CD1 4.45Å; F462-I482 HydrophobicContact CE1-CG1 4.16Å; F462-I482 HydrophobicContact CG-CD1 4.39Å; F462-I482 HydrophobicContact CG-CG1 3.97Å; F462-L485 HydrophobicContact CD2-CD1 3.73Å; F462-L485 HydrophobicContact CE2-CD1 4.11Å
463	E	82.7	Confident	81.2	Confident	120 Å²	120	74.7 Å²	74.7	56%	0.561	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	139.4	167.8	-65.7	-178.4	-175.5	0	0	109.9	N460 V465 N468	N460-E463 PolarHBondContact ND2-N 3.37Å; E463-V465 PolarHBondContact O-N 3.28Å; E463-N468 PolarHBondContact O-ND2 2.99Å
464	N	87.4	Confident	82.5	Confident	52 Å²	52	72.2 Å²	72.2	28%	0.278	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	36.4	-179.2	-59.6	-69.5	0	0	0	115.5	N443 C466 K467 N468	N443-N464 PolarHBondContact ND2-OD1 3.36Å; N443-N464 PolarHBondContact OD1-N 2.93Å; N464-C466 VanDerWaalsContact C-N 3.29Å; N464-C466 PolarHBondContact O-N 3.3Å; N464-C466 VanDerWaalsContact O-N 3.09Å; N464-K467 HydrophobicContact CB-CB 4.29Å; N464-K467 HydrophobicContact CB-CD 4.31Å; N464-K467 PolarHBondContact O-N 3.18Å; N464-K467 VanDerWaalsContact O-N 3.08Å; N464-N468 VanDerWaalsContact O-CG 3.27Å; N464-N468 PolarHBondContact O-N 3.11Å; N464-N468 PolarHBondContact O-ND2 2.87Å; N464-N468 PolarHBondContact O-OD1 2.63Å
465	V	90.3	Very high	83.9	Confident	12 Å²	12	68.2 Å²	68.2	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-38.5	-52.9	179.5	-165	0	0	0	0	113.8	F462 E463 N468 L469 I482	F462-V465 HydrophobicContact CB-CG2 3.89Å; F462-V465 WeakPolarHBondContact O-CG2 3.37Å; E463-V465 PolarHBondContact O-N 3.28Å; V465-N468 PolarHBondContact O-N 3.49Å; V465-L469 HydrophobicContact CG1-CD1 3.94Å; V465-L469 HydrophobicContact CG1-CG 4.45Å; V465-L469 WeakPolarHBondContact O-CB 3.29Å; V465-L469 WeakPolarHBondContact O-CG 3.42Å; V465-L469 PolarHBondContact O-N 3.01Å; V465-I482 HydrophobicContact CG1-CD1 3.97Å; V465-I482 HydrophobicContact CG1-CG1 4.49Å; V465-I482 HydrophobicContact CG1-CG2 4.48Å
466	C	92.8	Very high	85.1	Confident	2 Å²	2	68 Å²	68	1%	0.014	38%	0.38	C	S	.	.	H	α-helix	trans	-68.4	-40.4	-173.3	-55.9	0	0	0	0	112.6	D270 S271 C342 N464 N468 L469 A470	D270-C466 HydrophobicContact CB-CB 4.19Å; D270-C466 VanDerWaalsContact OD2-CB 3.29Å; D270-C466 WeakPolarHBondContact OD2-CB 3.5Å; S271-C466 WeakPolarHBondContact OG-CB 3.07Å; S271-C466 PolarHBondContact OG-SG 3.26Å; S271-C466 VanDerWaalsContact OG-SG 3.34Å; C342-C466 WeakPolarHBondContact CA-SG 3.39Å; C342-C466 HydrophobicContact CB-CB 3.61Å; C342-C466 WeakPolarHBondContact CB-SG 3.34Å; C342-C466 WeakPolarHBondContact SG-CA 3.32Å; C342-C466 WeakPolarHBondContact SG-CB 3.03Å; C342-C466 CovalentContact SG-SG 2.03Å; C342-C466 PolarHBondContact SG-SG 3.39Å; N464-C466 VanDerWaalsContact C-N 3.29Å; N464-C466 PolarHBondContact O-N 3.3Å; N464-C466 VanDerWaalsContact O-N 3.09Å; C466-N468 VanDerWaalsContact C-N 3.34Å; C466-N468 PolarHBondContact O-N 3.1Å; C466-L469 PolarHBondContact O-N 3.49Å; C466-A470 VanDerWaalsContact O-CB 3.27Å; C466-A470 WeakPolarHBondContact O-CB 3.38Å; C466-A470 PolarHBondContact O-N 2.94Å
467	K	91.5	Very high	85.7	Confident	89 Å²	89	65 Å²	65	39%	0.387	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-40.6	174.1	-57.2	177.9	-177.2	137.4	0	111.2	D270 E439 N464 A470 S471	D270-K467 WeakPolarHBondContact OD2-CG 3.18Å; D270-K467 PolarHBondContact OD2-N 3.31Å; E439-K467 WeakPolarHBondContact OE1-CE 3.27Å; E439-K467 IonicContact OE1-NZ 2.82Å; E439-K467 PolarHBondContact OE1-NZ 3.03Å; N464-K467 HydrophobicContact CB-CB 4.29Å; N464-K467 HydrophobicContact CB-CD 4.31Å; N464-K467 PolarHBondContact O-N 3.18Å; N464-K467 VanDerWaalsContact O-N 3.08Å; K467-A470 PolarHBondContact O-N 2.88Å; K467-S471 WeakPolarHBondContact O-CB 3.34Å; K467-S471 PolarHBondContact O-N 3.46Å; K467-S471 PolarHBondContact O-OG 3.37Å; K467-S471 VanDerWaalsContact O-OG 3.14Å
468	N	90.7	Very high	85.8	Confident	46 Å²	46	63 Å²	63	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-75.1	-28.6	-179	-57.4	-13.9	0	0	0	113	E463 N464 V465 C466 S471 G472 Q473 L474	E463-N468 PolarHBondContact O-ND2 2.99Å; N464-N468 VanDerWaalsContact O-CG 3.27Å; N464-N468 PolarHBondContact O-N 3.11Å; N464-N468 PolarHBondContact O-ND2 2.87Å; N464-N468 PolarHBondContact O-OD1 2.63Å; V465-N468 PolarHBondContact O-N 3.49Å; C466-N468 VanDerWaalsContact C-N 3.34Å; C466-N468 PolarHBondContact O-N 3.1Å; N468-S471 WeakPolarHBondContact CA-OG 3.39Å; N468-S471 PolarHBondContact O-OG 2.04Å; N468-G472 PolarHBondContact O-N 3.4Å; N468-Q473 PolarHBondContact O-N 3.25Å; N468-Q473 VanDerWaalsContact O-N 3.17Å; N468-L474 HydrophobicContact CB-CD1 3.96Å; N468-L474 HydrophobicContact CB-CD2 3.96Å; N468-L474 HydrophobicContact CB-CG 3.8Å
469	L	90.1	Very high	85.9	Confident	23 Å²	23	62 Å²	62	12%	0.12	36%	0.359	C	S	.	.	H	α-helix	trans	-71.8	-44.2	167.9	-76.3	169.2	0	0	0	111	C342 P346 T359 V465 C466 S471 G472 L474	C342-L469 HydrophobicContact CB-CD1 4.15Å; P346-L469 HydrophobicContact CG-CD2 4.47Å; T359-L469 HydrophobicContact CG2-CD1 3.52Å; V465-L469 HydrophobicContact CG1-CD1 3.94Å; V465-L469 HydrophobicContact CG1-CG 4.45Å; V465-L469 WeakPolarHBondContact O-CB 3.29Å; V465-L469 WeakPolarHBondContact O-CG 3.42Å; V465-L469 PolarHBondContact O-N 3.01Å; C466-L469 PolarHBondContact O-N 3.49Å; L469-S471 VanDerWaalsContact C-N 3.32Å; L469-S471 PolarHBondContact O-N 2.93Å; L469-G472 PolarHBondContact O-N 2.98Å; L469-L474 HydrophobicContact CD2-CD1 3.79Å; L469-L474 HydrophobicContact CG-CD1 3.79Å
470	A	88	Confident	85.8	Confident	59 Å²	59	60.2 Å²	60.2	49%	0.488	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-31	178.6	0	0	0	0	0	113.1	C466 K467 G472	C466-A470 VanDerWaalsContact O-CB 3.27Å; C466-A470 WeakPolarHBondContact O-CB 3.38Å; C466-A470 PolarHBondContact O-N 2.94Å; K467-A470 PolarHBondContact O-N 2.88Å; A470-G472 VanDerWaalsContact C-N 3.35Å
471	S	87.5	Confident	85.7	Confident	57 Å²	57	64 Å²	64	40%	0.399	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.2	174.1	67.6	0	0	0	0	114.3	K467 N468 L469 Q473	K467-S471 WeakPolarHBondContact O-CB 3.34Å; K467-S471 PolarHBondContact O-N 3.46Å; K467-S471 PolarHBondContact O-OG 3.37Å; K467-S471 VanDerWaalsContact O-OG 3.14Å; N468-S471 WeakPolarHBondContact CA-OG 3.39Å; N468-S471 PolarHBondContact O-OG 2.04Å; L469-S471 VanDerWaalsContact C-N 3.32Å; L469-S471 PolarHBondContact O-N 2.93Å; S471-Q473 PolarHBondContact O-N 2.93Å; S471-Q473 WeakPolarHBondContact OG-CB 3.33Å; S471-Q473 VanDerWaalsContact OG-CG 3.28Å; S471-Q473 WeakPolarHBondContact OG-CG 3.47Å; S471-Q473 PolarHBondContact OG-OE1 2.84Å
472	G	82.7	Confident	85.8	Confident	64 Å²	64	59.2 Å²	59.2	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	13.2	-176.7	0	0	0	0	0	115	N468 L469 A470 L474	N468-G472 PolarHBondContact O-N 3.4Å; L469-G472 PolarHBondContact O-N 2.98Å; A470-G472 VanDerWaalsContact C-N 3.35Å; G472-L474 VanDerWaalsContact C-N 3.32Å; G472-L474 PolarHBondContact O-N 3.04Å
473	Q	80.1	Confident	86	Confident	146 Å²	146	60.5 Å²	60.5	68%	0.682	34%	0.335	S	S	*	.			trans	-81.6	-4.2	-171	-73	168.6	-22.6	0	0	114.5	N468 S471	N468-Q473 PolarHBondContact O-N 3.25Å; N468-Q473 VanDerWaalsContact O-N 3.17Å; S471-Q473 PolarHBondContact O-N 2.93Å; S471-Q473 WeakPolarHBondContact OG-CB 3.33Å; S471-Q473 VanDerWaalsContact OG-CG 3.28Å; S471-Q473 WeakPolarHBondContact OG-CG 3.47Å; S471-Q473 PolarHBondContact OG-OE1 2.84Å
474	L	80.1	Confident	85.9	Confident	30 Å²	30	60.6 Å²	60.6	16%	0.157	34%	0.335	C	S	.	.			trans	-88.6	124.7	-178.5	-66	173.5	0	0	0	111.7	N468 L469 G472 N478 I479 I482	N468-L474 HydrophobicContact CB-CD1 3.96Å; N468-L474 HydrophobicContact CB-CD2 3.96Å; N468-L474 HydrophobicContact CB-CG 3.8Å; L469-L474 HydrophobicContact CD2-CD1 3.79Å; L469-L474 HydrophobicContact CG-CD1 3.79Å; G472-L474 VanDerWaalsContact C-N 3.32Å; G472-L474 PolarHBondContact O-N 3.04Å; L474-N478 HydrophobicContact CB-CB 4.47Å; L474-N478 HydrophobicContact CD2-CB 4.2Å; L474-I479 HydrophobicContact CB-CG1 4.24Å; L474-I482 HydrophobicContact CD1-CD1 3.76Å
475	T	85.1	Confident	85.7	Confident	83 Å²	83	59.7 Å²	59.7	51%	0.509	33%	0.33	S	S	.	.			trans	-64.9	155.4	169.5	61.1	0	0	0	0	111.3	S477 N478 I479	T475-S477 PolarHBondContact O-N 2.89Å; T475-N478 WeakPolarHBondContact O-CA 3.48Å; T475-N478 WeakPolarHBondContact O-CB 3.33Å; T475-N478 PolarHBondContact O-N 3.02Å; T475-I479 PolarHBondContact O-N 3.06Å
476	E	83.1	Confident	85.3	Confident	144 Å²	144	59.4 Å²	59.4	67%	0.673	33%	0.329	S	S	*	.	H	α-helix	trans	-56.8	-37.7	178.5	-170	163.4	-148.2	0	0	112.4	N478 I479 D480	E476-N478 PolarHBondContact O-N 2.86Å; E476-I479 WeakPolarHBondContact O-CB 3.48Å; E476-I479 PolarHBondContact O-N 3.46Å; E476-I479 VanDerWaalsContact O-N 3.12Å; E476-D480 WeakPolarHBondContact O-CB 3.48Å; E476-D480 PolarHBondContact O-N 3.43Å
477	S	83.9	Confident	84.6	Confident	70 Å²	70	65.1 Å²	65.1	49%	0.49	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-27.1	172.1	-176.8	0	0	0	0	114	T475 K481	T475-S477 PolarHBondContact O-N 2.89Å; S477-K481 VanDerWaalsContact O-CD 3.31Å; S477-K481 WeakPolarHBondContact O-CD 3.19Å; S477-K481 WeakPolarHBondContact O-CE 3.26Å; S477-K481 VanDerWaalsContact O-CG 3.29Å; S477-K481 WeakPolarHBondContact O-CG 3.42Å; S477-K481 PolarHBondContact OG-NZ 2.79Å
478	N	85.4	Confident	84.1	Confident	47 Å²	47	63.6 Å²	63.6	25%	0.251	35%	0.348	S	S	.	.	H	α-helix	trans	-82.4	-37.6	173.7	-71.9	-12.7	0	0	0	111.6	F462 L474 T475 E476 D480 K481 I482	F462-N478 HydrophobicContact CE1-CB 4.03Å; L474-N478 HydrophobicContact CB-CB 4.47Å; L474-N478 HydrophobicContact CD2-CB 4.2Å; T475-N478 WeakPolarHBondContact O-CA 3.48Å; T475-N478 WeakPolarHBondContact O-CB 3.33Å; T475-N478 PolarHBondContact O-N 3.02Å; E476-N478 PolarHBondContact O-N 2.86Å; N478-D480 VanDerWaalsContact C-N 3.32Å; N478-D480 PolarHBondContact O-N 3.27Å; N478-K481 PolarHBondContact O-N 3.31Å; N478-K481 PolarHBondContact OD1-NZ 3.21Å; N478-I482 WeakPolarHBondContact O-CG1 3.4Å; N478-I482 PolarHBondContact O-N 3.07Å
479	I	84.7	Confident	84	Confident	35 Å²	35	62.8 Å²	62.8	18%	0.179	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-44.7	171.6	-62.5	172.6	0	0	0	110.3	P346 L474 T475 E476 K481 I482 R483	P346-I479 HydrophobicContact CG-CG2 4.04Å; L474-I479 HydrophobicContact CB-CG1 4.24Å; T475-I479 PolarHBondContact O-N 3.06Å; E476-I479 WeakPolarHBondContact O-CB 3.48Å; E476-I479 PolarHBondContact O-N 3.46Å; E476-I479 VanDerWaalsContact O-N 3.12Å; I479-K481 VanDerWaalsContact C-N 3.3Å; I479-K481 PolarHBondContact O-N 3.1Å; I479-I482 WeakPolarHBondContact O-CA 3.43Å; I479-I482 WeakPolarHBondContact O-CB 3.48Å; I479-I482 PolarHBondContact O-N 3.13Å; I479-R483 HydrophobicContact CG2-CG 4.39Å; I479-R483 WeakPolarHBondContact O-CG 3.25Å; I479-R483 PolarHBondContact O-N 3.49Å
480	D	85.1	Confident	84	Confident	49 Å²	49	61.8 Å²	61.8	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-30.8	179.8	-85	0.8	0	0	0	114.4	Y349 E476 N478 R483	Y349-D480 HydrophobicContact CE1-CB 4.36Å; Y349-D480 WeakPolarHBondContact CE1-OD1 3.35Å; Y349-D480 WeakPolarHBondContact OH-CA 3.35Å; Y349-D480 VanDerWaalsContact OH-CB 3.24Å; Y349-D480 WeakPolarHBondContact OH-CB 3.26Å; Y349-D480 PolarHBondContact OH-O 3.37Å; E476-D480 WeakPolarHBondContact O-CB 3.48Å; E476-D480 PolarHBondContact O-N 3.43Å; N478-D480 VanDerWaalsContact C-N 3.32Å; N478-D480 PolarHBondContact O-N 3.27Å; D480-R483 IonicContact OD1-CZ 2.93Å; D480-R483 IonicContact OD1-NH1 2.72Å; D480-R483 PolarHBondContact OD1-NH1 3.2Å
481	K	83.3	Confident	84.1	Confident	94 Å²	94	59.9 Å²	59.9	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-71.5	-44.1	170.5	-66.1	161.7	-159.6	155.7	0	110.7	F462 S477 N478 I479 R483 Q484	F462-K481 HydrophobicContact CE1-CB 4.25Å; F462-K481 HydrophobicContact CE1-CD 4.41Å; F462-K481 HydrophobicContact CE2-CB 4.04Å; F462-K481 HydrophobicContact CZ-CB 3.42Å; F462-K481 VanDerWaalsContact CZ-CB 3.42Å; F462-K481 HydrophobicContact CZ-CD 3.76Å; F462-K481 HydrophobicContact CZ-CG 4.22Å; S477-K481 VanDerWaalsContact O-CD 3.31Å; S477-K481 WeakPolarHBondContact O-CD 3.19Å; S477-K481 WeakPolarHBondContact O-CE 3.26Å; S477-K481 VanDerWaalsContact O-CG 3.29Å; S477-K481 WeakPolarHBondContact O-CG 3.42Å; S477-K481 PolarHBondContact OG-NZ 2.79Å; N478-K481 PolarHBondContact O-N 3.31Å; N478-K481 PolarHBondContact OD1-NZ 3.21Å; I479-K481 VanDerWaalsContact C-N 3.3Å; I479-K481 PolarHBondContact O-N 3.1Å; K481-R483 VanDerWaalsContact C-N 3.3Å; K481-R483 PolarHBondContact O-N 3.41Å; K481-Q484 PolarHBondContact O-N 2.84Å
482	I	85.3	Confident	84.3	Confident	4 Å²	4	58 Å²	58	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-43.6	175.6	-68.3	160.8	0	0	0	110.6	F462 V465 L474 N478 I479 Q484 L485 P486	F462-I482 HydrophobicContact CD1-CD1 3.97Å; F462-I482 HydrophobicContact CD1-CG1 3.86Å; F462-I482 HydrophobicContact CD2-CG1 4.34Å; F462-I482 HydrophobicContact CE1-CD1 4.45Å; F462-I482 HydrophobicContact CE1-CG1 4.16Å; F462-I482 HydrophobicContact CG-CD1 4.39Å; F462-I482 HydrophobicContact CG-CG1 3.97Å; V465-I482 HydrophobicContact CG1-CD1 3.97Å; V465-I482 HydrophobicContact CG1-CG1 4.49Å; V465-I482 HydrophobicContact CG1-CG2 4.48Å; L474-I482 HydrophobicContact CD1-CD1 3.76Å; N478-I482 WeakPolarHBondContact O-CG1 3.4Å; N478-I482 PolarHBondContact O-N 3.07Å; I479-I482 WeakPolarHBondContact O-CA 3.43Å; I479-I482 WeakPolarHBondContact O-CB 3.48Å; I479-I482 PolarHBondContact O-N 3.13Å; I482-Q484 PolarHBondContact O-N 2.77Å; I482-L485 PolarHBondContact O-N 3.17Å; I482-P486 WeakPolarHBondContact O-CD 3.26Å
483	R	86.4	Confident	84.7	Confident	45 Å²	45	57.6 Å²	57.6	17%	0.17	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-18.9	175.2	-71.3	176.5	166	144.2	-6	114.8	G347 G348 Y349 V358 I479 D480 K481	G347-R483 PolarHBondContact O-NE 2.82Å; G348-R483 PolarHBondContact O-NE 2.82Å; Y349-R483 HydrophobicContact CD2-CB 4.03Å; Y349-R483 HydrophobicContact CD2-CG 4.44Å; Y349-R483 HydrophobicContact CE2-CB 3.42Å; Y349-R483 VanDerWaalsContact CE2-CB 3.42Å; Y349-R483 HydrophobicContact CE2-CG 4.14Å; V358-R483 HydrophobicContact CB-CG 4.35Å; V358-R483 HydrophobicContact CG1-CB 4.22Å; V358-R483 HydrophobicContact CG1-CG 4.05Å; V358-R483 HydrophobicContact CG2-CG 4.25Å; I479-R483 HydrophobicContact CG2-CG 4.39Å; I479-R483 WeakPolarHBondContact O-CG 3.25Å; I479-R483 PolarHBondContact O-N 3.49Å; D480-R483 IonicContact OD1-CZ 2.93Å; D480-R483 IonicContact OD1-NH1 2.72Å; D480-R483 PolarHBondContact OD1-NH1 3.2Å; K481-R483 VanDerWaalsContact C-N 3.3Å; K481-R483 PolarHBondContact O-N 3.41Å
484	Q	81.1	Confident	85.3	Confident	122 Å²	122	54.1 Å²	54.1	57%	0.57	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-16.1	-179.7	-60.1	179.4	30.6	0	0	113.9	K481 I482	K481-Q484 PolarHBondContact O-N 2.84Å; I482-Q484 PolarHBondContact O-N 2.77Å
485	L	82.3	Confident	86	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.168	28%	0.277	C	S	.	.	S	Bend	trans	-64.8	-47.2	-174	-61.9	175.4	0	0	0	113.8	L446 F462 I482 R487 T488 H489	L446-L485 HydrophobicContact CD1-CD2 4.18Å; F462-L485 HydrophobicContact CD2-CD1 3.73Å; F462-L485 HydrophobicContact CE2-CD1 4.11Å; I482-L485 PolarHBondContact O-N 3.17Å; L485-R487 PolarHBondContact O-N 3.4Å; L485-R487 VanDerWaalsContact O-N 3.17Å; L485-T488 PolarHBondContact O-N 3.03Å; L485-T488 PolarHBondContact O-OG1 3.31Å; L485-H489 PolarHBondContact O-N 3.16Å
486	P	82.3	Confident	86.5	Confident	7 Å²	7	51.8 Å²	51.8	5%	0.045	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.8	-174.3	-25	36.3	0	0	0	114	F255 V358 I482 T488 L490	F255-P486 HydrophobicContact CE1-CB 3.8Å; F255-P486 HydrophobicContact CZ-CB 3.87Å; V358-P486 WeakPolarHBondContact O-CG 3.37Å; I482-P486 WeakPolarHBondContact O-CD 3.26Å; P486-T488 PolarHBondContact O-N 3.09Å; P486-L490 HydrophobicContact CB-CD2 3.69Å; P486-L490 WeakPolarHBondContact O-CD2 3.18Å; P486-L490 WeakPolarHBondContact O-CG 3.29Å
487	R	79	Confident	87	Confident	121 Å²	121	48.8 Å²	48.8	46%	0.457	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3	178	-66.4	-177.6	174.5	-163.2	-5.2	113.5	E356 L485	E356-R487 IonicContact OE1-CZ 3.64Å; E356-R487 IonicContact OE1-NH2 2.72Å; E356-R487 PolarHBondContact OE1-NH2 3.49Å; E356-R487 IonicContact OE2-CZ 2.74Å; E356-R487 IonicContact OE2-NE 3.64Å; E356-R487 PolarHBondContact OE2-NE 3.21Å; E356-R487 IonicContact OE2-NH2 3.99Å; E356-R487 PolarHBondContact OE2-NH2 3.34Å; L485-R487 PolarHBondContact O-N 3.4Å; L485-R487 VanDerWaalsContact O-N 3.17Å
488	T	80.5	Confident	87.4	Confident	57 Å²	57	45.8 Å²	45.8	35%	0.35	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-39.9	-177.7	57.5	0	0	0	0	115	N449 L485 P486	N449-T488 VanDerWaalsContact CG-O 3.3Å; N449-T488 PolarHBondContact N-O 2.83Å; N449-T488 PolarHBondContact ND2-O 3.5Å; N449-T488 PolarHBondContact OD1-O 3.3Å; L485-T488 PolarHBondContact O-N 3.03Å; L485-T488 PolarHBondContact O-OG1 3.31Å; P486-T488 PolarHBondContact O-N 3.09Å
489	H	87.9	Confident	87.6	Confident	29 Å²	29	45.4 Å²	45.4	13%	0.134	22%	0.215	C	C	.	.			trans	-139	66.3	-172.3	-55.7	82.3	0	0	0	112.4	L446 A447 L458 L485 L491 R492	L446-H489 HydrophobicContact CB-CB 3.93Å; A447-H489 WeakPolarHBondContact O-CA 3.49Å; L458-H489 VanDerWaalsContact CD1-CE1 3.41Å; L458-H489 WeakPolarHBondContact CD1-CE1 3.09Å; L485-H489 PolarHBondContact O-N 3.16Å; H489-L491 VanDerWaalsContact C-N 3.29Å; H489-R492 PolarHBondContact O-NH1 3.19Å
490	L	89.5	Confident	87.4	Confident	3 Å²	3	47 Å²	47	2%	0.016	22%	0.224	C	C	.	.			trans	-63.9	-37.7	173.5	-64.6	166.3	0	0	0	111.7	V254 F255 F360 S361 K362 N449 P486 R492	V254-L490 HydrophobicContact CG1-CD1 3.65Å; V254-L490 WeakPolarHBondContact O-CD1 3.38Å; F255-L490 HydrophobicContact CD1-CD1 4.47Å; F255-L490 HydrophobicContact CD1-CD2 3.93Å; F255-L490 HydrophobicContact CD2-CD1 4.38Å; F255-L490 HydrophobicContact CE1-CD2 3.69Å; F255-L490 HydrophobicContact CG-CD1 4.32Å; F255-L490 HydrophobicContact CZ-CD2 4.12Å; F360-L490 HydrophobicContact CD1-CD2 3.62Å; F360-L490 HydrophobicContact CE1-CD2 3.99Å; S361-L490 WeakPolarHBondContact CA-O 3.48Å; K362-L490 PolarHBondContact N-O 2.84Å; N449-L490 VanDerWaalsContact OD1-CB 3.3Å; N449-L490 WeakPolarHBondContact OD1-CB 3.03Å; N449-L490 WeakPolarHBondContact OD1-CG 3.38Å; N449-L490 PolarHBondContact OD1-N 3.4Å; P486-L490 HydrophobicContact CB-CD2 3.69Å; P486-L490 WeakPolarHBondContact O-CD2 3.18Å; P486-L490 WeakPolarHBondContact O-CG 3.29Å; L490-R492 PolarHBondContact O-NH1 3.14Å
491	L	90.5	Very high	87.5	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	160.8	-169.1	-70.6	165.4	0	0	0	112.1	K362 A447 E450 H489	K362-L491 HydrophobicContact CB-CD2 3.74Å; K362-L491 HydrophobicContact CD-CD2 4.4Å; K362-L491 CarbonylContact O-C 3.58Å; K362-L491 WeakPolarHBondContact O-CA 3.3Å; A447-L491 HydrophobicContact CB-CB 3.88Å; A447-L491 PolarHBondContact N-O 2.73Å; E450-L491 HydrophobicContact CG-CD1 3.87Å; H489-L491 VanDerWaalsContact C-N 3.29Å
492	R	92.6	Very high	87.6	Confident	19 Å²	19	51 Å²	51	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.8	176.8	-64.6	-68.1	176.5	-84.1	3.9	110.3	K362 V363 A441 F442 S444 H489 L490	K362-R492 PolarHBondContact O-N 3.38Å; V363-R492 HydrophobicContact CB-CB 4.49Å; V363-R492 HydrophobicContact CG2-CB 4.26Å; A441-R492 WeakPolarHBondContact O-CB 2.93Å; F442-R492 HydrophobicContact CD1-CG 4.49Å; F442-R492 WeakPolarHBondContact O-CD 3.32Å; F442-R492 PolarHBondContact O-NE 3.49Å; S444-R492 WeakPolarHBondContact O-CD 3.4Å; H489-R492 PolarHBondContact O-NH1 3.19Å; L490-R492 PolarHBondContact O-NH1 3.14Å
493	V	90.6	Very high	87.8	Confident	55 Å²	55	51.2 Å²	51.2	33%	0.333	24%	0.242	S	C	.	.	S	Bend	trans	-80.9	-40.3	-176.3	178.4	0	0	0	0	112	Q445 A447 I457 H495	Q445-V493 HydrophobicContact CB-CB 4.14Å; Q445-V493 HydrophobicContact CB-CG2 3.96Å; Q445-V493 WeakPolarHBondContact O-CG2 3.15Å; Q445-V493 PolarHBondContact O-N 3.36Å; A447-V493 HydrophobicContact CB-CG2 3.88Å; I457-V493 HydrophobicContact CD1-CG2 4.08Å; I457-V493 HydrophobicContact CG1-CG2 4.12Å; I457-V493 HydrophobicContact CG2-CG2 3.8Å; V493-H495 PolarHBondContact O-N 2.89Å
494	K	93.7	Very high	87.8	Confident	72 Å²	72	50.8 Å²	50.8	31%	0.313	24%	0.243	S	C	.	.	S	Bend	trans	-70.9	125.3	174.3	-174.4	-176.7	-179.2	-164	0	108.6	V363 D440 A441 S444	V363-K494 VanDerWaalsContact CG2-O 3.24Å; V363-K494 WeakPolarHBondContact CG2-O 3.49Å; D440-K494 HydrophobicContact CB-CD 4.27Å; D440-K494 IonicContact OD2-NZ 3.83Å; D440-K494 PolarHBondContact OD2-NZ 3.26Å; A441-K494 HydrophobicContact CB-CB 4.12Å; A441-K494 HydrophobicContact CB-CD 4.06Å; A441-K494 HydrophobicContact CB-CG 4.04Å; S444-K494 VanDerWaalsContact CB-CB 3.48Å; S444-K494 VanDerWaalsContact OG-CB 3.32Å; S444-K494 WeakPolarHBondContact OG-CB 3.43Å; S444-K494 PolarHBondContact OG-N 3.43Å; S444-K494 VanDerWaalsContact OG-N 3.13Å
495	H	93.7	Very high	88.1	Confident	64 Å²	64	46 Å²	46	30%	0.296	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-83.1	146	167.5	-73.9	-163.1	0	0	0	110.2	E366 V493 H497	E366-H495 HydrophobicContact CB-CB 4.45Å; E366-H495 WeakPolarHBondContact OE2-CB 3.09Å; E366-H495 IonicContact OE2-CE1 3.83Å; E366-H495 IonicContact OE2-CG 3.1Å; E366-H495 IonicContact OE2-ND1 2.65Å; E366-H495 PolarHBondContact OE2-ND1 3.11Å; V493-H495 PolarHBondContact O-N 2.89Å; H495-H497 PolarHBondContact O-N 2.94Å; H495-H497 PolarHBondContact O-ND1 2.82Å
496	V	95.9	Very high	88.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-80.6	121	172.6	-163.4	0	0	0	0	108.7	V363 T364 L365 E366 Y433 D437 I438 A441	V363-V496 HydrophobicContact CG1-CG2 3.81Å; V363-V496 HydrophobicContact CG2-CG2 3.84Å; T364-V496 PolarHBondContact O-N 3.32Å; L365-V496 HydrophobicContact CD2-CB 3.61Å; L365-V496 HydrophobicContact CD2-CG1 4.24Å; L365-V496 HydrophobicContact CD2-CG2 3.67Å; E366-V496 PolarHBondContact N-O 3.47Å; Y433-V496 HydrophobicContact CD1-CB 4.3Å; Y433-V496 HydrophobicContact CD1-CG1 3.7Å; Y433-V496 HydrophobicContact CE1-CG1 4.49Å; Y433-V496 HydrophobicContact CG-CG1 4.31Å; D437-V496 HydrophobicContact CB-CG1 4.05Å; I438-V496 HydrophobicContact CG1-CG1 3.79Å; I438-V496 HydrophobicContact CG1-CG2 4.36Å; A441-V496 HydrophobicContact CB-CG2 3.78Å
497	H	93.9	Very high	87.7	Confident	81 Å²	81	47.2 Å²	47.2	38%	0.375	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-98.4	151.9	177.5	-67.5	58.7	0	0	0	109.8	E366 Y433 H495 N501	E366-H497 IonicContact OE2-CE1 3.78Å; Y433-H497 WeakPolarHBondContact CD1-O 3.33Å; H495-H497 PolarHBondContact O-N 2.94Å; H495-H497 PolarHBondContact O-ND1 2.82Å; H497-N501 WeakPolarHBondContact CB-OD1 3.07Å
498	P	92.5	Very high	87.1	Confident	8 Å²	8	43.4 Å²	43.4	5%	0.052	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-74.8	161.4	178.3	33.8	-34.8	0	0	0	110.7	E366 C431 V432 Y433 N501 R502	E366-P498 WeakPolarHBondContact O-CD 3.47Å; C431-P498 HydrophobicContact CB-CB 3.97Å; V432-P498 CarbonylContact O-C 3.59Å; V432-P498 VanDerWaalsContact O-CA 3.23Å; V432-P498 WeakPolarHBondContact O-CA 3.48Å; Y433-P498 HydrophobicContact CD1-CB 4.38Å; Y433-P498 HydrophobicContact CE1-CB 4.03Å; P498-N501 WeakPolarHBondContact O-CA 3.47Å; P498-N501 PolarHBondContact O-N 2.58Å; P498-R502 WeakPolarHBondContact CG-O 3.25Å
499	I	88.2	Confident	86.3	Confident	39 Å²	39	44.5 Å²	44.5	20%	0.2	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.9	142.5	172.7	-60	175.5	0	0	0	109.4	K413 V432 A434 N501 M559	K413-I499 HydrophobicContact CD-CD1 4.44Å; V432-I499 HydrophobicContact CG1-CD1 4.12Å; V432-I499 PolarHBondContact O-N 3.41Å; A434-I499 HydrophobicContact CB-CD1 4.23Å; A434-I499 HydrophobicContact CB-CG1 4.42Å; I499-N501 PolarHBondContact O-N 2.63Å; I499-N501 VanDerWaalsContact O-N 3.1Å; I499-M559 HydrophobicContact CD1-CE 3.54Å; I499-M559 HydrophobicContact CD1-SD 4.28Å; I499-M559 HydrophobicContact CG2-CE 4.19Å
500	D	81.7	Confident	84.9	Confident	69 Å²	69	44.4 Å²	44.4	37%	0.369	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	57.4	9.7	-168.9	-64.7	-12.5	0	0	0	115.8	R502	D500-R502 HydrophobicContact CB-CG 3.7Å; D500-R502 VanDerWaalsContact CB-NE 3.3Å; D500-R502 PolarHBondContact O-N 2.98Å; D500-R502 IonicContact OD2-CZ 3.7Å; D500-R502 IonicContact OD2-NE 2.69Å; D500-R502 PolarHBondContact OD2-NE 2.99Å; D500-R502 IonicContact OD2-NH2 2.63Å; D500-R502 PolarHBondContact OD2-NH2 2.87Å
501	N	87	Confident	82.9	Confident	105 Å²	105	45.2 Å²	45.2	56%	0.561	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	54	32.1	-173.2	-66.6	-58	0	0	0	114.2	H497 P498 I499	H497-N501 WeakPolarHBondContact CB-OD1 3.07Å; P498-N501 WeakPolarHBondContact O-CA 3.47Å; P498-N501 PolarHBondContact O-N 2.58Å; I499-N501 PolarHBondContact O-N 2.63Å; I499-N501 VanDerWaalsContact O-N 3.1Å
502	R	85.7	Confident	80.9	Confident	120 Å²	120	47.3 Å²	47.3	45%	0.453	24%	0.243	S	C	.	.	S	Bend	trans	-145.1	162.9	179.6	60.4	-177.1	175.4	145.7	0.9	111.4	P498 D500	P498-R502 WeakPolarHBondContact CG-O 3.25Å; D500-R502 HydrophobicContact CB-CG 3.7Å; D500-R502 VanDerWaalsContact CB-NE 3.3Å; D500-R502 PolarHBondContact O-N 2.98Å; D500-R502 IonicContact OD2-CZ 3.7Å; D500-R502 IonicContact OD2-NE 2.69Å; D500-R502 PolarHBondContact OD2-NE 2.99Å; D500-R502 IonicContact OD2-NH2 2.63Å; D500-R502 PolarHBondContact OD2-NH2 2.87Å
503	P	88.5	Confident	78.3	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.058	26%	0.259	C	S	.	.			trans	-71.4	147.5	164.7	-10.3	29.7	0	0	0	109.9	K368 F369 A429 L430 I506	K368-P503 WeakPolarHBondContact O-CD 3.49Å; F369-P503 HydrophobicContact CB-CG 4.16Å; A429-P503 HydrophobicContact CB-CB 4.08Å; A429-P503 HydrophobicContact CB-CG 4.3Å; L430-P503 CarbonylContact O-C 3.54Å; L430-P503 WeakPolarHBondContact O-CA 3.28Å; L430-P503 WeakPolarHBondContact O-CB 3.21Å; P503-I506 HydrophobicContact CB-CD1 4.24Å; P503-I506 HydrophobicContact CB-CG1 3.79Å; P503-I506 HydrophobicContact CG-CD1 3.82Å; P503-I506 HydrophobicContact CG-CG1 3.87Å
504	L	87.2	Confident	76.1	Confident	37 Å²	37	50.1 Å²	50.1	19%	0.194	26%	0.258	C	S	.	.	S	Bend	trans	-77.5	-30.1	177.1	-174.8	59.6	0	0	0	112	L430 V432 L550 I561	L430-L504 HydrophobicContact CD2-CB 4.46Å; L430-L504 HydrophobicContact CD2-CD2 4.23Å; L430-L504 PolarHBondContact O-N 2.86Å; V432-L504 HydrophobicContact CG2-CB 4.38Å; V432-L504 HydrophobicContact CG2-CD2 3.78Å; L504-L550 HydrophobicContact CD2-CD2 3.87Å; L504-I561 HydrophobicContact CD1-CB 4.01Å; L504-I561 HydrophobicContact CD1-CG2 3.72Å; L504-I561 HydrophobicContact CD2-CD1 4.1Å; L504-I561 HydrophobicContact CG-CB 4.22Å; L504-I561 HydrophobicContact CG-CD1 4.06Å; L504-I561 HydrophobicContact CG-CG2 3.98Å
505	I	87.3	Confident	73.6	Confident	21 Å²	21	53.7 Å²	53.7	11%	0.108	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143	172.7	-46.8	174.8	0	0	0	108.3	A429 L430 W523 L539 Y548 I561	A429-I505 WeakPolarHBondContact CA-O 3.49Å; L430-I505 HydrophobicContact CB-CB 4.04Å; L430-I505 HydrophobicContact CB-CD1 4.34Å; L430-I505 HydrophobicContact CB-CG1 4.18Å; L430-I505 HydrophobicContact CD2-CD1 3.79Å; L430-I505 HydrophobicContact CD2-CG1 4.06Å; L430-I505 PolarHBondContact N-O 2.84Å; I505-W523 HydrophobicContact CB-CH2 3.84Å; I505-W523 HydrophobicContact CB-CZ2 4.33Å; I505-W523 HydrophobicContact CD1-CH2 4.4Å; I505-W523 HydrophobicContact CD1-CZ2 4.2Å; I505-W523 HydrophobicContact CG2-CH2 3.7Å; I505-W523 HydrophobicContact CG2-CZ2 3.89Å; I505-L539 HydrophobicContact CD1-CD1 3.49Å; I505-L539 VanDerWaalsContact CD1-CD1 3.49Å; I505-Y548 HydrophobicContact CD1-CD2 4.21Å; I505-Y548 HydrophobicContact CD1-CE1 4.24Å; I505-Y548 HydrophobicContact CD1-CE2 3.9Å; I505-I561 HydrophobicContact CD1-CD1 3.67Å; I505-I561 HydrophobicContact CG1-CD1 3.78Å
506	I	81.5	Confident	71	Confident	20 Å²	20	57.3 Å²	57.3	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.2	173.2	-59.5	178	0	0	0	109.9	F369 Y399 D428 P503 V509 P510	F369-I506 HydrophobicContact CB-CD1 3.76Å; F369-I506 HydrophobicContact CD1-CD1 3.92Å; F369-I506 HydrophobicContact CD2-CD1 3.3Å; F369-I506 HydrophobicContact CE1-CD1 4.32Å; F369-I506 HydrophobicContact CE2-CD1 3.77Å; F369-I506 HydrophobicContact CG-CD1 3.37Å; F369-I506 HydrophobicContact CZ-CD1 4.25Å; Y399-I506 VanDerWaalsContact OH-CG2 3.3Å; Y399-I506 WeakPolarHBondContact OH-CG2 3.4Å; D428-I506 CarbonylContact O-C 3.57Å; D428-I506 WeakPolarHBondContact O-CA 3.41Å; P503-I506 HydrophobicContact CB-CD1 4.24Å; P503-I506 HydrophobicContact CB-CG1 3.79Å; P503-I506 HydrophobicContact CG-CD1 3.82Å; P503-I506 HydrophobicContact CG-CG1 3.87Å; I506-V509 WeakPolarHBondContact O-CG2 3.37Å; I506-P510 HydrophobicContact CG2-CG 4.38Å
507	R	74.7	Confident	68.3	Low	44 Å²	44	62 Å²	62	17%	0.166	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146	172.2	-58.1	-178.8	-175.9	-171.7	0.9	110.8	G427 D428 W523 E546 Y548	G427-R507 CarbonylContact C-O 3.57Å; G427-R507 VanDerWaalsContact C-O 3.28Å; G427-R507 WeakPolarHBondContact CA-O 3.49Å; D428-R507 HydrophobicContact CB-CB 4.3Å; D428-R507 PolarHBondContact N-O 3.3Å; D428-R507 PolarHBondContact O-N 2.88Å; R507-W523 HydrophobicContact CG-CH2 4.46Å; R507-W523 HydrophobicContact CG-CZ2 4.49Å; R507-E546 IonicContact CZ-OE1 3.43Å; R507-E546 IonicContact CZ-OE2 3.84Å; R507-E546 IonicContact NH1-OE1 2.75Å; R507-E546 PolarHBondContact NH1-OE1 3.31Å; R507-E546 IonicContact NH1-OE2 2.94Å; R507-E546 IonicContact NH2-OE1 3.35Å; R507-E546 PolarHBondContact NH2-OE1 2.78Å; R507-E546 IonicContact NH2-OE2 3.97Å; R507-E546 PolarHBondContact NH2-OE2 3.17Å; R507-Y548 PolarHBondContact NH2-OH 2.04Å
508	P	65.7	Low	65.6	Low	42 Å²	42	63.4 Å²	63.4	27%	0.273	33%	0.327	S	S	.	.	S	Bend	cis	-56.4	149.3	-26.4	29.2	-35.5	0	0	0	109.8	P510 F514	P508-P510 WeakPolarHBondContact O-CD 3.35Å; P508-F514 HydrophobicContact CB-CD2 4.28Å; P508-F514 HydrophobicContact CG-CD2 4.14Å
509	V	64.9	Low	63.4	Low	79 Å²	79	68.5 Å²	68.5	48%	0.479	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.7	121.4	177.9	175.6	0	0	0	0	108.5	I506 L512	I506-V509 WeakPolarHBondContact O-CG2 3.37Å; V509-L512 HydrophobicContact CB-CD1 3.67Å; V509-L512 HydrophobicContact CG1-CD1 3.79Å; V509-L512 PolarHBondContact O-N 2.85Å
510	P	57.8	Low	61.8	Low	27 Å²	27	71.6 Å²	71.6	18%	0.175	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	139.5	-170.5	-29.7	38.2	0	0	0	113.9	F369 I375 I506 P508	F369-P510 HydrophobicContact CD1-CG 4.39Å; F369-P510 HydrophobicContact CE1-CB 4.39Å; F369-P510 HydrophobicContact CE1-CG 3.78Å; F369-P510 HydrophobicContact CZ-CG 4.47Å; I375-P510 HydrophobicContact CG2-CB 3.85Å; I506-P510 HydrophobicContact CG2-CG 4.38Å; P508-P510 WeakPolarHBondContact O-CD 3.35Å
511	G	46.6	Very low	60.9	Low	20 Å²	20	70.9 Å²	70.9	21%	0.206	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	-27.5	-174.8	0	0	0	0	0	114.9	W47	W47-G511 VanDerWaalsContact CH2-O 3.27Å; W47-G511 WeakPolarHBondContact CH2-O 3.42Å
512	L	49.4	Very low	60.3	Low	62 Å²	62	66 Å²	66	33%	0.325	33%	0.334	S	S	.	.	S	Bend	trans	-67.9	139.1	176.3	-85.7	137.4	0	0	0	111.5	W47 V509 F514	W47-L512 HydrophobicContact CE3-CD2 4.2Å; W47-L512 HydrophobicContact CE3-CG 4.4Å; W47-L512 HydrophobicContact CH2-CD2 4.45Å; W47-L512 HydrophobicContact CH2-CG 4.1Å; W47-L512 HydrophobicContact CZ3-CB 4.5Å; W47-L512 HydrophobicContact CZ3-CD2 3.62Å; W47-L512 HydrophobicContact CZ3-CG 3.7Å; V509-L512 HydrophobicContact CB-CD1 3.67Å; V509-L512 HydrophobicContact CG1-CD1 3.79Å; V509-L512 PolarHBondContact O-N 2.85Å; L512-F514 PolarHBondContact O-N 2.9Å; L512-F514 VanDerWaalsContact O-N 3.1Å
513	P	38.4	Very low	60.5	Low	61 Å²	61	60.3 Å²	60.3	40%	0.396	31%	0.313	S	S	.	.			trans	-67.8	111.4	-179.7	27.6	-34.1	0	0	0	110.7	Y378 Q515	Y378-P513 HydrophobicContact CD2-CB 4.2Å; Y378-P513 HydrophobicContact CE2-CB 4.43Å; P513-Q515 PolarHBondContact O-N 2.87Å
514	F	43	Very low	60.6	Low	73 Å²	73	63.5 Å²	63.5	32%	0.32	32%	0.324	S	S	.	.			trans	-60.1	104.7	176.1	-174.7	-102.3	0	0	0	110.6	Y380 P508 L512 Q516	Y380-F514 WeakPolarHBondContact CE2-O 3.15Å; P508-F514 HydrophobicContact CB-CD2 4.28Å; P508-F514 HydrophobicContact CG-CD2 4.14Å; L512-F514 PolarHBondContact O-N 2.9Å; L512-F514 VanDerWaalsContact O-N 3.1Å; F514-Q516 HydrophobicContact CE1-CB 4.12Å; F514-Q516 HydrophobicContact CE1-CG 4.34Å
515	Q	43	Very low	60.8	Low	146 Å²	146	64.3 Å²	64.3	68%	0.682	33%	0.327	S	S	*	.			trans	-67.9	139.8	151.5	-78.5	-176.6	-28	0	0	107.3	P513 I517	P513-Q515 PolarHBondContact O-N 2.87Å; Q515-I517 HydrophobicContact CB-CG1 4Å; Q515-I517 PolarHBondContact O-N 3.22Å
516	Q	38.6	Very low	61.1	Low	141 Å²	141	63.7 Å²	63.7	66%	0.659	32%	0.324	S	S	*	.			trans	-76.3	74.3	174.6	-173	172.9	-9	0	0	109	F514 N518	F514-Q516 HydrophobicContact CE1-CB 4.12Å; F514-Q516 HydrophobicContact CE1-CG 4.34Å; Q516-N518 PolarHBondContact O-N 2.94Å
517	I	38.7	Very low	61.6	Low	97 Å²	97	63.8 Å²	63.8	50%	0.497	32%	0.324	S	S	.	.			trans	-77.5	114.2	178.1	-45.6	175.4	0	0	0	107.4	Q515 H519	Q515-I517 HydrophobicContact CB-CG1 4Å; Q515-I517 PolarHBondContact O-N 3.22Å; I517-H519 HydrophobicContact CG2-CB 4.1Å; I517-H519 VanDerWaalsContact CG2-CD2 3.48Å; I517-H519 WeakPolarHBondContact CG2-CD2 3.11Å; I517-H519 PolarHBondContact O-N 2.88Å
518	N	37.6	Very low	62.3	Low	111 Å²	111	62.6 Å²	62.6	59%	0.594	32%	0.321	S	S	*	.			trans	-70	31.2	175.3	-78.3	23.6	0	0	0	113.3	Q516 Q520	Q516-N518 PolarHBondContact O-N 2.94Å; N518-Q520 PolarHBondContact O-N 3.09Å
519	H	45.4	Very low	63.3	Low	115 Å²	115	60.7 Å²	60.7	53%	0.532	31%	0.308	S	S	.	.			trans	-72.2	126.1	165.7	-72.3	-13.3	0	0	0	109	I517 L521	I517-H519 HydrophobicContact CG2-CB 4.1Å; I517-H519 VanDerWaalsContact CG2-CD2 3.48Å; I517-H519 WeakPolarHBondContact CG2-CD2 3.11Å; I517-H519 PolarHBondContact O-N 2.88Å; H519-L521 PolarHBondContact O-N 3.19Å
520	Q	54.9	Low	63.9	Low	104 Å²	104	59.2 Å²	59.2	49%	0.486	30%	0.296	S	S	.	.			trans	-66.7	97	174.9	-66.3	175.2	-17.3	0	0	109	N518 K542	N518-Q520 PolarHBondContact O-N 3.09Å; Q520-K542 HydrophobicContact CB-CD 4.07Å
521	L	62.5	Low	64.3	Low	54 Å²	54	58.5 Å²	58.5	28%	0.283	29%	0.291	S	S	.	.			trans	-57.8	158.7	-177.4	-71.2	163.7	0	0	0	112.3	Q419 D428 H519 Y524	Q419-L521 PolarHBondContact NE2-O 2.87Å; D428-L521 WeakPolarHBondContact OD2-CD2 3.44Å; H519-L521 PolarHBondContact O-N 3.19Å; L521-Y524 PolarHBondContact O-OH 2.03Å
522	G	74.7	Confident	65	Low	3 Å²	3	63.5 Å²	63.5	3%	0.031	31%	0.313	C	S	.	.			trans	106.1	133.4	179.8	0	0	0	0	0	113.5	D428 Y524 G541	D428-G522 VanDerWaalsContact OD1-CA 3.25Å; D428-G522 WeakPolarHBondContact OD1-CA 3.32Å; D428-G522 PolarHBondContact OD1-N 2.95Å; D428-G522 PolarHBondContact OD2-N 2.63Å; G522-Y524 WeakPolarHBondContact O-CD2 3.45Å; G522-Y524 WeakPolarHBondContact O-CE2 3.17Å; G522-G541 WeakPolarHBondContact O-CA 3.48Å
523	W	89.9	Confident	65.3	Low	1 Å²	1	66.4 Å²	66.4	0%	0.004	32%	0.323	C	S	.	.			trans	-89	116.3	162.1	-51.7	-73	0	0	0	108.9	S404 S417 D428 L430 I505 R507 L539 A540	S404-W523 PolarHBondContact OG-O 2.91Å; S417-W523 PolarHBondContact OG-O 2.9Å; D428-W523 HydrophobicContact CB-CE3 4Å; D428-W523 HydrophobicContact CB-CH2 4.25Å; D428-W523 HydrophobicContact CB-CZ3 3.72Å; L430-W523 HydrophobicContact CB-CH2 4.25Å; L430-W523 HydrophobicContact CB-CZ3 4.03Å; I505-W523 HydrophobicContact CB-CH2 3.84Å; I505-W523 HydrophobicContact CB-CZ2 4.33Å; I505-W523 HydrophobicContact CD1-CH2 4.4Å; I505-W523 HydrophobicContact CD1-CZ2 4.2Å; I505-W523 HydrophobicContact CG2-CH2 3.7Å; I505-W523 HydrophobicContact CG2-CZ2 3.89Å; R507-W523 HydrophobicContact CG-CH2 4.46Å; R507-W523 HydrophobicContact CG-CZ2 4.49Å; W523-L539 HydrophobicContact CB-CB 4.42Å; W523-L539 VanDerWaalsContact CD1-CB 3.43Å; W523-L539 HydrophobicContact CD2-CB 4.47Å; W523-L539 HydrophobicContact CD2-CD1 4.23Å; W523-L539 HydrophobicContact CG-CB 3.89Å; W523-L539 HydrophobicContact CG-CD1 4.49Å; W523-L539 HydrophobicContact CZ2-CD1 3.97Å; W523-A540 CarbonylContact C-O 3.53Å; W523-A540 WeakPolarHBondContact CA-O 3.15Å
524	Y	90.3	Very high	66.6	Low	76 Å²	76	65.3 Å²	65.3	30%	0.298	31%	0.314	S	S	.	.			trans	-93.8	-20.4	-175.8	-62.6	-92.2	0	0	0	112.4	I403 S404 L521 G522 A540 K542	I403-Y524 HydrophobicContact CG2-CD1 3.73Å; I403-Y524 HydrophobicContact CG2-CE1 4.06Å; I403-Y524 HydrophobicContact CG2-CG 4.31Å; S404-Y524 WeakPolarHBondContact CB-O 3.46Å; L521-Y524 PolarHBondContact O-OH 2.03Å; G522-Y524 WeakPolarHBondContact O-CD2 3.45Å; G522-Y524 WeakPolarHBondContact O-CE2 3.17Å; Y524-A540 PolarHBondContact N-O 3.4Å; Y524-K542 HydrophobicContact CD2-CG 3.99Å; Y524-K542 HydrophobicContact CE2-CD 4.19Å; Y524-K542 HydrophobicContact CE2-CG 3.76Å
525	H	92.3	Very high	68.3	Low	53 Å²	53	62.1 Å²	62.1	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.6	174.5	-46.6	-85.1	0	0	0	111	A540 T580 I582	H525-A540 HydrophobicContact CB-CB 4.2Å; H525-A540 PolarHBondContact N-O 3.43Å; H525-A540 PolarHBondContact O-N 2.84Å; H525-T580 PolarHBondContact CE1-O 2.8Å; H525-T580 PolarHBondContact NE2-O 3.31Å; H525-I582 HydrophobicContact CB-CG2 3.69Å
526	I	93.5	Very high	70.2	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.2	176.4	-60.2	170.8	0	0	0	107.8	S404 K406 L430 I528 L537 Y538 L539	S404-I526 WeakPolarHBondContact OG-CD1 3.34Å; S404-I526 WeakPolarHBondContact OG-CG1 3.3Å; K406-I526 HydrophobicContact CB-CB 3.92Å; K406-I526 HydrophobicContact CB-CG2 3.78Å; K406-I526 WeakPolarHBondContact CD-O 3.42Å; K406-I526 HydrophobicContact CG-CG2 4.36Å; K406-I526 WeakPolarHBondContact CG-O 3.45Å; L430-I526 HydrophobicContact CD1-CD1 3.96Å; I526-I528 HydrophobicContact CG2-CG1 4.29Å; I526-L537 HydrophobicContact CG2-CD1 3.75Å; I526-Y538 WeakPolarHBondContact CA-O 3.35Å; I526-L539 HydrophobicContact CB-CD2 4.31Å; I526-L539 HydrophobicContact CD1-CD2 4.47Å; I526-L539 HydrophobicContact CG1-CD2 3.77Å; I526-L539 HydrophobicContact CG2-CD2 4.01Å
527	E	92.3	Very high	72.7	Confident	23 Å²	23	48.8 Å²	48.8	11%	0.107	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.3	169.4	-76.9	-61.3	140.2	0	0	111.1	K406 Y538 I582 M584	K406-E527 WeakPolarHBondContact CE-OE2 3.49Å; K406-E527 IonicContact NZ-OE1 3.87Å; K406-E527 PolarHBondContact NZ-OE1 3Å; K406-E527 IonicContact NZ-OE2 2.7Å; K406-E527 PolarHBondContact NZ-OE2 3.01Å; E527-Y538 PolarHBondContact N-O 3.5Å; E527-Y538 PolarHBondContact O-N 3.3Å; E527-I582 HydrophobicContact CB-CG2 4.46Å; E527-I582 HydrophobicContact CG-CG2 3.9Å; E527-I582 VanDerWaalsContact CG-O 3.24Å; E527-I582 WeakPolarHBondContact CG-O 3.39Å; E527-M584 HydrophobicContact CB-CG 3.99Å
528	I	89.8	Confident	75.2	Confident	19 Å²	19	44.1 Å²	44.1	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.5	-169.1	-57.6	173.5	0	0	0	108.3	K406 D408 Y415 I526 V535 L537	K406-I528 HydrophobicContact CB-CD1 4.19Å; K406-I528 HydrophobicContact CG-CD1 3.63Å; K406-I528 HydrophobicContact CG-CG1 3.99Å; D408-I528 HydrophobicContact CB-CD1 4.14Å; D408-I528 WeakPolarHBondContact OD2-CG2 3.18Å; Y415-I528 HydrophobicContact CD2-CD1 3.41Å; Y415-I528 VanDerWaalsContact CD2-CD1 3.41Å; Y415-I528 HydrophobicContact CE2-CD1 3.69Å; Y415-I528 HydrophobicContact CG-CD1 3.91Å; I526-I528 HydrophobicContact CG2-CG1 4.29Å; I528-V535 HydrophobicContact CG2-CG1 3.38Å; I528-L537 HydrophobicContact CG1-CD1 3.95Å
529	D	84.8	Confident	77.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	118.2	-175	176.3	26.3	0	0	0	112.8	I536 Y538 M584 K591 R606	D529-I536 PolarHBondContact N-O 3.23Å; D529-I536 PolarHBondContact O-N 3.47Å; D529-Y538 HydrophobicContact CB-CE2 3.95Å; D529-M584 HydrophobicContact CB-CE 3.91Å; D529-M584 HydrophobicContact CB-CG 4.12Å; D529-M584 HydrophobicContact CB-SD 4.12Å; D529-K591 WeakPolarHBondContact OD1-CD 3.43Å; D529-K591 IonicContact OD1-NZ 2.78Å; D529-K591 PolarHBondContact OD1-NZ 2.82Å; D529-R606 IonicContact OD1-CZ 3.38Å; D529-R606 IonicContact OD1-NE 3.3Å; D529-R606 IonicContact OD1-NH2 2.69Å; D529-R606 PolarHBondContact OD1-NH2 2.94Å; D529-R606 IonicContact OD2-CZ 2.76Å; D529-R606 VanDerWaalsContact OD2-CZ 3.24Å; D529-R606 IonicContact OD2-NE 3.74Å; D529-R606 PolarHBondContact OD2-NE 3.22Å; D529-R606 IonicContact OD2-NH2 2.68Å; D529-R606 PolarHBondContact OD2-NH2 3.23Å
530	H	79.2	Confident	80.1	Confident	48 Å²	48	33.4 Å²	33.4	22%	0.222	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.5	-178.1	-72.9	-106	0	0	0	112.2	D408 L410 D411 K591 R606	D408-H530 IonicContact OD1-NE2 3.52Å; D408-H530 PolarHBondContact OD1-NE2 3.22Å; D408-H530 IonicContact OD2-CD2 3.19Å; D408-H530 IonicContact OD2-CE1 3.59Å; D408-H530 IonicContact OD2-NE2 2.84Å; D408-H530 PolarHBondContact OD2-NE2 3.24Å; L410-H530 HydrophobicContact CD1-CB 4.4Å; D411-H530 IonicContact OD1-CE1 2.87Å; H530-K591 PolarHBondContact O-NZ 3.02Å; H530-R606 VanDerWaalsContact C-NH2 3.27Å; H530-R606 PolarHBondContact O-NH2 2.98Å
531	S	65.1	Low	81.7	Confident	11 Å²	11	28.5 Å²	28.5	8%	0.077	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	97.8	167	-157.2	0	0	0	0	110.8	K533 N534 R606	S531-K533 PolarHBondContact O-N 2.98Å; S531-N534 PolarHBondContact N-O 3.35Å; S531-N534 PolarHBondContact O-N 3.46Å; S531-R606 VanDerWaalsContact CB-NH1 3.28Å; S531-R606 VanDerWaalsContact CB-NH2 3.34Å; S531-R606 PolarHBondContact OG-NH1 2.76Å
532	D	61.9	Low	82.9	Confident	125 Å²	125	28.5 Å²	28.5	67%	0.668	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-60.7	170.9	-43.5	-83.1	0	0	0	114.7
533	K	55.6	Low	83.4	Confident	123 Å²	123	31.8 Å²	31.8	54%	0.535	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.7	-12.6	176.6	-72.7	176.8	173.7	165.9	0	114	S531 L645 I646	S531-K533 PolarHBondContact O-N 2.98Å; K533-L645 PolarHBondContact NZ-O 2.77Å; K533-I646 VanDerWaalsContact CE-CD1 3.46Å
534	N	65.7	Low	83.2	Confident	38 Å²	38	32.9 Å²	32.9	20%	0.203	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.2	-178	-57.7	-12.9	0	0	0	108.5	S531 F551	S531-N534 PolarHBondContact N-O 3.35Å; S531-N534 PolarHBondContact O-N 3.46Å; N534-F551 HydrophobicContact CB-CE1 4.34Å
535	V	78.3	Confident	83.2	Confident	7 Å²	7	29.3 Å²	29.3	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.9	176.1	-173.7	0	0	0	0	108.6	I528 L550	I528-V535 HydrophobicContact CG2-CG1 3.38Å; V535-L550 HydrophobicContact CB-CB 4.15Å; V535-L550 HydrophobicContact CB-CD1 4.14Å; V535-L550 HydrophobicContact CG1-CD1 4.14Å; V535-L550 PolarHBondContact N-O 3.26Å; V535-L550 WeakPolarHBondContact O-CB 3.37Å; V535-L550 PolarHBondContact O-N 3.1Å
536	I	84	Confident	83.1	Confident	6 Å²	6	27.4 Å²	27.4	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.8	174.2	-52.5	177.6	0	0	0	107.6	D529 Y538 Y548 W564 F607	D529-I536 PolarHBondContact N-O 3.23Å; D529-I536 PolarHBondContact O-N 3.47Å; I536-Y538 HydrophobicContact CB-CE2 4.01Å; I536-Y538 HydrophobicContact CG2-CD2 4.06Å; I536-Y538 HydrophobicContact CG2-CE2 3.5Å; I536-Y538 VanDerWaalsContact CG2-CE2 3.5Å; I536-Y548 WeakPolarHBondContact CA-O 3.19Å; I536-W564 HydrophobicContact CD1-CH2 4.38Å; I536-W564 HydrophobicContact CD1-CZ3 4.28Å; I536-W564 HydrophobicContact CG1-CZ3 4.33Å; I536-F607 HydrophobicContact CD1-CE1 3.99Å
537	L	89.6	Confident	82.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.8	-179.5	179.1	70.5	0	0	0	109.1	Y415 L430 I526 I528 L539 R547 Y548 L550 I561	Y415-L537 HydrophobicContact CD1-CD1 4.15Å; Y415-L537 HydrophobicContact CE1-CD1 4.41Å; L430-L537 HydrophobicContact CD2-CD2 3.63Å; I526-L537 HydrophobicContact CG2-CD1 3.75Å; I528-L537 HydrophobicContact CG1-CD1 3.95Å; L537-L539 HydrophobicContact CD1-CD2 4Å; L537-L539 HydrophobicContact CD2-CD1 4.16Å; L537-L539 HydrophobicContact CD2-CD2 4.03Å; L537-L539 HydrophobicContact CD2-CG 4.17Å; L537-L539 HydrophobicContact CG-CD2 3.83Å; L537-L539 HydrophobicContact CG-CG 4.05Å; L537-R547 WeakPolarHBondContact O-CA 3.38Å; L537-Y548 PolarHBondContact N-O 3.26Å; L537-Y548 PolarHBondContact O-N 3.41Å; L537-L550 HydrophobicContact CB-CD1 4.2Å; L537-L550 HydrophobicContact CB-CG 4.45Å; L537-I561 HydrophobicContact CD2-CD1 4.15Å
538	Y	92.5	Very high	82.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.2	179.3	-63.3	-116.2	0	0	0	108.5	I526 E527 D529 I536 R547 I582 M584 F593	I526-Y538 WeakPolarHBondContact CA-O 3.35Å; E527-Y538 PolarHBondContact N-O 3.5Å; E527-Y538 PolarHBondContact O-N 3.3Å; D529-Y538 HydrophobicContact CB-CE2 3.95Å; I536-Y538 HydrophobicContact CB-CE2 4.01Å; I536-Y538 HydrophobicContact CG2-CD2 4.06Å; I536-Y538 HydrophobicContact CG2-CE2 3.5Å; I536-Y538 VanDerWaalsContact CG2-CE2 3.5Å; Y538-R547 VanDerWaalsContact CD1-CD 3.46Å; Y538-R547 HydrophobicContact CD1-CG 3.84Å; Y538-R547 HydrophobicContact CE1-CG 4.14Å; Y538-R547 HydrophobicContact CG-CG 4.35Å; Y538-I582 HydrophobicContact CD1-CD1 4.07Å; Y538-I582 HydrophobicContact CG-CD1 4.5Å; Y538-M584 HydrophobicContact CD2-SD 4.23Å; Y538-M584 HydrophobicContact CE1-SD 4.17Å; Y538-M584 HydrophobicContact CE2-SD 3.71Å; Y538-F593 HydrophobicContact CE1-CD1 4.17Å; Y538-F593 HydrophobicContact CE1-CD2 4.24Å; Y538-F593 HydrophobicContact CE1-CE1 4.23Å; Y538-F593 HydrophobicContact CE1-CE2 4.3Å; Y538-F593 HydrophobicContact CE1-CG 4.18Å; Y538-F593 HydrophobicContact CE1-CZ 4.3Å
539	L	93.1	Very high	82.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109.9	-178.8	-56.1	-178.8	0	0	0	109.8	L430 I505 W523 I526 L537 E546 Y548	L430-L539 HydrophobicContact CD1-CD2 4.33Å; L430-L539 HydrophobicContact CD2-CD1 4.23Å; I505-L539 HydrophobicContact CD1-CD1 3.49Å; I505-L539 VanDerWaalsContact CD1-CD1 3.49Å; W523-L539 HydrophobicContact CB-CB 4.42Å; W523-L539 VanDerWaalsContact CD1-CB 3.43Å; W523-L539 HydrophobicContact CD2-CB 4.47Å; W523-L539 HydrophobicContact CD2-CD1 4.23Å; W523-L539 HydrophobicContact CG-CB 3.89Å; W523-L539 HydrophobicContact CG-CD1 4.49Å; W523-L539 HydrophobicContact CZ2-CD1 3.97Å; I526-L539 HydrophobicContact CB-CD2 4.31Å; I526-L539 HydrophobicContact CD1-CD2 4.47Å; I526-L539 HydrophobicContact CG1-CD2 3.77Å; I526-L539 HydrophobicContact CG2-CD2 4.01Å; L537-L539 HydrophobicContact CD1-CD2 4Å; L537-L539 HydrophobicContact CD2-CD1 4.16Å; L537-L539 HydrophobicContact CD2-CD2 4.03Å; L537-L539 HydrophobicContact CD2-CG 4.17Å; L537-L539 HydrophobicContact CG-CD2 3.83Å; L537-L539 HydrophobicContact CG-CG 4.05Å; L539-E546 PolarHBondContact N-O 3.3Å; L539-E546 PolarHBondContact O-N 3.19Å; L539-Y548 HydrophobicContact CD1-CD2 3.96Å; L539-Y548 HydrophobicContact CD1-CE2 3.77Å; L539-Y548 HydrophobicContact CG-CD2 4.35Å; L539-Y548 HydrophobicContact CG-CE2 4.42Å
540	A	92.1	Very high	81.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.9	-177.2	0	0	0	0	0	112.1	W523 Y524 H525 I545 I579 I582	W523-A540 CarbonylContact C-O 3.53Å; W523-A540 WeakPolarHBondContact CA-O 3.15Å; Y524-A540 PolarHBondContact N-O 3.4Å; H525-A540 HydrophobicContact CB-CB 4.2Å; H525-A540 PolarHBondContact N-O 3.43Å; H525-A540 PolarHBondContact O-N 2.84Å; A540-I545 HydrophobicContact CB-CG1 4.09Å; A540-I579 HydrophobicContact CB-CG2 4.27Å; A540-I582 HydrophobicContact CB-CG2 4.12Å
541	G	89.5	Confident	81.4	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.01	13%	0.127	C	C	.	.			trans	-82.9	-167.6	158.8	0	0	0	0	0	111.1	G522 H544 I579	G522-G541 WeakPolarHBondContact O-CA 3.48Å; G541-H544 PolarHBondContact N-O 3.48Å; G541-I579 WeakPolarHBondContact O-CD1 3.3Å
542	K	86.4	Confident	81.3	Confident	54 Å²	54	30.8 Å²	30.8	24%	0.235	15%	0.148	C	C	.	.	S	Bend	trans	-75.2	-28.3	-178	-74.2	176.7	176.2	179.1	0	115.3	Q520 Y524 I578 I579	Q520-K542 HydrophobicContact CB-CD 4.07Å; Y524-K542 HydrophobicContact CD2-CG 3.99Å; Y524-K542 HydrophobicContact CE2-CD 4.19Å; Y524-K542 HydrophobicContact CE2-CG 3.76Å; K542-I578 CarbonylContact O-C 3.51Å; K542-I578 WeakPolarHBondContact O-CA 3.31Å; K542-I579 PolarHBondContact O-N 3.07Å
543	K	85.1	Confident	80.8	Confident	73 Å²	73	26.6 Å²	26.6	32%	0.317	13%	0.126	S	C	.	.	S	Bend	trans	-126.4	0.3	-180	-66.9	-156.8	174.6	-161.9	0	114.4	I569	K543-I569 PolarHBondContact O-N 3.24Å
544	H	87.2	Confident	80.5	Confident	24 Å²	24	26.4 Å²	26.4	11%	0.111	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149	-176.7	56.3	-86.1	0	0	0	111.8	G541 E546 Q566 L567 T568	G541-H544 PolarHBondContact N-O 3.48Å; H544-E546 IonicContact CD2-OE1 2.95Å; H544-E546 PolarHBondContact CD2-OE1 3Å; H544-E546 VanDerWaalsContact CD2-OE1 3.3Å; H544-E546 IonicContact NE2-OE1 3.81Å; H544-Q566 HydrophobicContact CB-CG 4.31Å; H544-L567 CarbonylContact C-O 3.54Å; H544-L567 VanDerWaalsContact CA-O 3.26Å; H544-L567 WeakPolarHBondContact CA-O 3.33Å; H544-T568 HydrophobicContact CB-CG2 4.26Å
545	I	90.3	Very high	79.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.9	173.3	-54	162.4	0	0	0	106.8	I60 A540 Q566 L567 I579 I582 I595	I60-I545 HydrophobicContact CD1-CD1 4.3Å; A540-I545 HydrophobicContact CB-CG1 4.09Å; I545-Q566 CarbonylContact O-C 3.18Å; I545-Q566 WeakPolarHBondContact O-CA 3.26Å; I545-L567 HydrophobicContact CB-CB 4.32Å; I545-L567 PolarHBondContact N-O 3.12Å; I545-L567 PolarHBondContact O-N 2.93Å; I545-I579 HydrophobicContact CD1-CD1 4.2Å; I545-I579 HydrophobicContact CG1-CD1 3.61Å; I545-I582 HydrophobicContact CD1-CD1 4Å; I545-I582 HydrophobicContact CG1-CD1 4.43Å; I545-I582 HydrophobicContact CG2-CD1 3.81Å; I545-I595 HydrophobicContact CD1-CD1 3.44Å; I545-I595 VanDerWaalsContact CD1-CD1 3.44Å; I545-I595 HydrophobicContact CD1-CG1 3.71Å; I545-I595 HydrophobicContact CD1-CG2 4.22Å
546	E	89	Confident	78.3	Confident	13 Å²	13	32.3 Å²	32.3	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.2	177.9	-74.1	173.1	-94.5	0	0	110.5	M55 R507 L539 H544 Y548 Q566	M55-E546 HydrophobicContact CE-CB 3.59Å; M55-E546 HydrophobicContact CE-CG 3.72Å; R507-E546 IonicContact CZ-OE1 3.43Å; R507-E546 IonicContact CZ-OE2 3.84Å; R507-E546 IonicContact NH1-OE1 2.75Å; R507-E546 PolarHBondContact NH1-OE1 3.31Å; R507-E546 IonicContact NH1-OE2 2.94Å; R507-E546 IonicContact NH2-OE1 3.35Å; R507-E546 PolarHBondContact NH2-OE1 2.78Å; R507-E546 IonicContact NH2-OE2 3.97Å; R507-E546 PolarHBondContact NH2-OE2 3.17Å; L539-E546 PolarHBondContact N-O 3.3Å; L539-E546 PolarHBondContact O-N 3.19Å; H544-E546 IonicContact CD2-OE1 2.95Å; H544-E546 PolarHBondContact CD2-OE1 3Å; H544-E546 VanDerWaalsContact CD2-OE1 3.3Å; H544-E546 IonicContact NE2-OE1 3.81Å; E546-Y548 HydrophobicContact CB-CE2 3.8Å; E546-Y548 PolarHBondContact OE2-OH 2.82Å; E546-Q566 HydrophobicContact CG-CB 3.98Å; E546-Q566 HydrophobicContact CG-CG 3.73Å
547	R	87.1	Confident	76.9	Confident	7 Å²	7	39 Å²	39	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.3	-177.1	-56.3	-162.9	-64	174.2	0.7	109.8	L537 Y538 W564 D565 R606	L537-R547 WeakPolarHBondContact O-CA 3.38Å; Y538-R547 VanDerWaalsContact CD1-CD 3.46Å; Y538-R547 HydrophobicContact CD1-CG 3.84Å; Y538-R547 HydrophobicContact CE1-CG 4.14Å; Y538-R547 HydrophobicContact CG-CG 4.35Å; R547-W564 HydrophobicContact CB-CB 4.23Å; R547-W564 WeakPolarHBondContact O-CA 3.09Å; R547-W564 VanDerWaalsContact O-CB 3.26Å; R547-W564 WeakPolarHBondContact O-CB 3.44Å; R547-W564 PolarHBondContact O-N 2.75Å; R547-D565 IonicContact CZ-OD1 3.18Å; R547-D565 VanDerWaalsContact CZ-OD1 3.32Å; R547-D565 IonicContact CZ-OD2 3.23Å; R547-D565 PolarHBondContact N-O 2.78Å; R547-D565 IonicContact NE-OD1 3.61Å; R547-D565 PolarHBondContact NE-OD1 3.45Å; R547-D565 IonicContact NE-OD2 2.64Å; R547-D565 VanDerWaalsContact NH2-CG 3.32Å; R547-D565 IonicContact NH2-OD1 2.77Å; R547-D565 PolarHBondContact NH2-OD1 2.87Å; R547-D565 VanDerWaalsContact NH2-OD1 3.1Å; R547-D565 IonicContact NH2-OD2 2.68Å; R547-D565 PolarHBondContact NH2-OD2 3.16Å; R547-R606 PolarHBondContact NH1-O 2.83Å
548	Y	86.4	Confident	75.6	Confident	22 Å²	22	40.6 Å²	40.6	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139	-179.2	-64.9	-92.6	0	0	0	110.3	M55 I505 R507 I536 L537 L539 E546 I561 C562 P563	M55-Y548 HydrophobicContact CE-CE1 4.5Å; M55-Y548 HydrophobicContact CE-CE2 4.44Å; I505-Y548 HydrophobicContact CD1-CD2 4.21Å; I505-Y548 HydrophobicContact CD1-CE1 4.24Å; I505-Y548 HydrophobicContact CD1-CE2 3.9Å; R507-Y548 PolarHBondContact NH2-OH 2.04Å; I536-Y548 WeakPolarHBondContact CA-O 3.19Å; L537-Y548 PolarHBondContact N-O 3.26Å; L537-Y548 PolarHBondContact O-N 3.41Å; L539-Y548 HydrophobicContact CD1-CD2 3.96Å; L539-Y548 HydrophobicContact CD1-CE2 3.77Å; L539-Y548 HydrophobicContact CG-CD2 4.35Å; L539-Y548 HydrophobicContact CG-CE2 4.42Å; E546-Y548 HydrophobicContact CB-CE2 3.8Å; E546-Y548 PolarHBondContact OE2-OH 2.82Å; Y548-I561 HydrophobicContact CD1-CD1 3.96Å; Y548-I561 HydrophobicContact CD1-CG1 3.93Å; Y548-I561 HydrophobicContact CG-CD1 3.89Å; Y548-I561 HydrophobicContact CG-CG1 4.11Å; Y548-C562 CarbonylContact C-O 3.55Å; Y548-C562 VanDerWaalsContact CA-O 3.29Å; Y548-C562 WeakPolarHBondContact CA-O 3.48Å; Y548-P563 HydrophobicContact CD1-CB 4.41Å; Y548-P563 HydrophobicContact CE1-CB 4.3Å
549	G	80.6	Confident	74.5	Confident	2 Å²	2	41.9 Å²	41.9	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.9	167.6	0	0	0	0	0	110.7	I561 C562	G549-I561 WeakPolarHBondContact O-CA 3.37Å; G549-C562 PolarHBondContact N-O 3.13Å; G549-C562 PolarHBondContact O-N 3.37Å
550	L	79.9	Confident	73.4	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.052	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.2	171.6	-62.5	171	0	0	0	110.1	Y415 L504 V535 L537 I561	Y415-L550 HydrophobicContact CE1-CD1 3.95Å; L504-L550 HydrophobicContact CD2-CD2 3.87Å; V535-L550 HydrophobicContact CB-CB 4.15Å; V535-L550 HydrophobicContact CB-CD1 4.14Å; V535-L550 HydrophobicContact CG1-CD1 4.14Å; V535-L550 PolarHBondContact N-O 3.26Å; V535-L550 WeakPolarHBondContact O-CB 3.37Å; V535-L550 PolarHBondContact O-N 3.1Å; L537-L550 HydrophobicContact CB-CD1 4.2Å; L537-L550 HydrophobicContact CB-CG 4.45Å; L550-I561 HydrophobicContact CD2-CB 3.79Å; L550-I561 HydrophobicContact CD2-CD1 3.8Å; L550-I561 HydrophobicContact CD2-CG1 3.68Å
551	F	69.7	Low	72.7	Confident	45 Å²	45	45.5 Å²	45.5	20%	0.197	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.5	-178	-55.4	-82.8	0	0	0	110.8	N534 L553 E560 C562	N534-F551 HydrophobicContact CB-CE1 4.34Å; F551-L553 PolarHBondContact O-N 3.16Å; F551-E560 PolarHBondContact N-O 3.3Å; F551-E560 PolarHBondContact O-N 2.89Å; F551-C562 HydrophobicContact CE2-CB 4.2Å
552	N	64.1	Low	72	Confident	96 Å²	96	46 Å²	46	51%	0.513	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.7	173.6	-64.8	-34.4	0	0	0	109.4	S554	N552-S554 PolarHBondContact O-N 2.66Å
553	L	51.5	Low	71.3	Confident	38 Å²	38	45 Å²	45	20%	0.199	25%	0.246	C	C	.	.			trans	-76.5	109.9	172.3	-76.6	-179.3	0	0	0	110.1	F551 T555 E560 F688	F551-L553 PolarHBondContact O-N 3.16Å; L553-T555 PolarHBondContact O-N 2.9Å; L553-E560 HydrophobicContact CD1-CG 4.07Å; L553-E560 VanDerWaalsContact CD1-OE1 3.26Å; L553-E560 WeakPolarHBondContact CD1-OE1 3.42Å; L553-F688 HydrophobicContact CD1-CD1 4.5Å; L553-F688 HydrophobicContact CD1-CE1 4.42Å; L553-F688 HydrophobicContact CD2-CE1 4.04Å
554	S	48.3	Very low	70.8	Confident	119 Å²	119	44 Å²	44	83%	0.832	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	30.9	-172.4	73.5	0	0	0	0	115.6	N552	N552-S554 PolarHBondContact O-N 2.66Å
555	T	49.4	Very low	70.4	Confident	85 Å²	85	43 Å²	43	52%	0.521	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-22.3	-178.9	54.3	0	0	0	0	114.1	L553	L553-T555 PolarHBondContact O-N 2.9Å
556	D	48.7	Very low	70.1	Confident	84 Å²	84	44.8 Å²	44.8	45%	0.449	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.2	9.1	-172.2	-47.4	-99.6	0	0	0	113.7	T558 K692	D556-T558 HydrophobicContact CB-CG2 4.25Å; D556-T558 PolarHBondContact O-N 3.35Å; D556-K692 VanDerWaalsContact CG-NZ 3.27Å; D556-K692 WeakPolarHBondContact OD2-CE 3.14Å; D556-K692 IonicContact OD2-NZ 2.84Å; D556-K692 PolarHBondContact OD2-NZ 3.3Å
557	D	55.5	Low	70	Confident	146 Å²	146	44.1 Å²	44.1	78%	0.781	24%	0.241	S	C	*	.			trans	54.2	-2.7	-172.2	-65.6	-26.3	0	0	0	117.1	M559	D557-M559 PolarHBondContact O-N 2.83Å
558	T	62.1	Low	70	Confident	33 Å²	33	45.5 Å²	45.5	20%	0.202	25%	0.25	C	S	.	.			trans	-61.5	123.9	173.5	54.5	0	0	0	0	111.5	D556 K692	D556-T558 HydrophobicContact CB-CG2 4.25Å; D556-T558 PolarHBondContact O-N 3.35Å; T558-K692 PolarHBondContact OG1-NZ 2.86Å
559	M	68.7	Low	69.8	Low	27 Å²	27	45 Å²	45	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.4	171.4	-60.9	-178.2	-162.5	0	0	110	K413 I499 D557	K413-M559 HydrophobicContact CD-CE 4.13Å; I499-M559 HydrophobicContact CD1-CE 3.54Å; I499-M559 HydrophobicContact CD1-SD 4.28Å; I499-M559 HydrophobicContact CG2-CE 4.19Å; D557-M559 PolarHBondContact O-N 2.83Å
560	E	69.3	Low	69.4	Low	38 Å²	38	49.3 Å²	49.3	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.8	168	-69.4	-171.8	177.4	0	0	109.6	F551 L553	F551-E560 PolarHBondContact N-O 3.3Å; F551-E560 PolarHBondContact O-N 2.89Å; L553-E560 HydrophobicContact CD1-CG 4.07Å; L553-E560 VanDerWaalsContact CD1-OE1 3.26Å; L553-E560 WeakPolarHBondContact CD1-OE1 3.42Å
561	I	78	Confident	68.6	Low	39 Å²	39	51.5 Å²	51.5	20%	0.2	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.3	175.7	-172.2	170.3	0	0	0	108.7	L504 I505 L537 Y548 G549 L550	L504-I561 HydrophobicContact CD1-CB 4.01Å; L504-I561 HydrophobicContact CD1-CG2 3.72Å; L504-I561 HydrophobicContact CD2-CD1 4.1Å; L504-I561 HydrophobicContact CG-CB 4.22Å; L504-I561 HydrophobicContact CG-CD1 4.06Å; L504-I561 HydrophobicContact CG-CG2 3.98Å; I505-I561 HydrophobicContact CD1-CD1 3.67Å; I505-I561 HydrophobicContact CG1-CD1 3.78Å; L537-I561 HydrophobicContact CD2-CD1 4.15Å; Y548-I561 HydrophobicContact CD1-CD1 3.96Å; Y548-I561 HydrophobicContact CD1-CG1 3.93Å; Y548-I561 HydrophobicContact CG-CD1 3.89Å; Y548-I561 HydrophobicContact CG-CG1 4.11Å; G549-I561 WeakPolarHBondContact O-CA 3.37Å; L550-I561 HydrophobicContact CD2-CB 3.79Å; L550-I561 HydrophobicContact CD2-CD1 3.8Å; L550-I561 HydrophobicContact CD2-CG1 3.68Å
562	C	73.7	Confident	68.1	Low	12 Å²	12	51.8 Å²	51.8	8%	0.081	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.9	179.2	-48.9	0	0	0	0	110	Y548 G549 F551 C686	Y548-C562 CarbonylContact C-O 3.55Å; Y548-C562 VanDerWaalsContact CA-O 3.29Å; Y548-C562 WeakPolarHBondContact CA-O 3.48Å; G549-C562 PolarHBondContact N-O 3.13Å; G549-C562 PolarHBondContact O-N 3.37Å; F551-C562 HydrophobicContact CE2-CB 4.2Å; C562-C686 HydrophobicContact CB-CB 4.41Å; C562-C686 WeakPolarHBondContact CB-SG 3.28Å; C562-C686 WeakPolarHBondContact SG-CB 3.41Å; C562-C686 CovalentContact SG-SG 2.03Å; C562-C686 PolarHBondContact SG-SG 2.88Å
563	P	72.9	Confident	67.7	Low	31 Å²	31	51 Å²	51	20%	0.201	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	141.7	169.5	21.2	-30	0	0	0	110.8	Q53 M55 Y548	Q53-P563 HydrophobicContact CB-CG 4.16Å; Q53-P563 HydrophobicContact CG-CG 4.15Å; M55-P563 HydrophobicContact CE-CB 4.38Å; M55-P563 HydrophobicContact CG-CB 3.93Å; M55-P563 HydrophobicContact SD-CB 3.26Å; M55-P563 WeakPolarHBondContact SD-CB 3.17Å; Y548-P563 HydrophobicContact CD1-CB 4.41Å; Y548-P563 HydrophobicContact CE1-CB 4.3Å
564	W	73.9	Confident	68.1	Low	53 Å²	53	53 Å²	53	20%	0.201	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-67.2	176.2	-168.2	-56.2	0	0	0	110.3	I536 R547 F607 L627	I536-W564 HydrophobicContact CD1-CH2 4.38Å; I536-W564 HydrophobicContact CD1-CZ3 4.28Å; I536-W564 HydrophobicContact CG1-CZ3 4.33Å; R547-W564 HydrophobicContact CB-CB 4.23Å; R547-W564 WeakPolarHBondContact O-CA 3.09Å; R547-W564 VanDerWaalsContact O-CB 3.26Å; R547-W564 WeakPolarHBondContact O-CB 3.44Å; R547-W564 PolarHBondContact O-N 2.75Å; W564-F607 HydrophobicContact CH2-CE1 4.33Å; W564-F607 HydrophobicContact CZ2-CE1 4.34Å; W564-L627 HydrophobicContact CZ2-CD1 4.17Å; W564-L627 HydrophobicContact CZ2-CG 4.3Å
565	D	78.3	Confident	68.6	Low	4 Å²	4	54.9 Å²	54.9	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	169.1	173.4	56.5	41	0	0	0	111.2	M55 D56 Y58 R547	M55-D565 WeakPolarHBondContact CE-O 3.34Å; D56-D565 HydrophobicContact CB-CB 4.43Å; D56-D565 WeakPolarHBondContact O-CA 3.27Å; D56-D565 WeakPolarHBondContact O-CB 3.32Å; Y58-D565 HydrophobicContact CD2-CB 4.08Å; Y58-D565 HydrophobicContact CE2-CB 3.8Å; R547-D565 IonicContact CZ-OD1 3.18Å; R547-D565 VanDerWaalsContact CZ-OD1 3.32Å; R547-D565 IonicContact CZ-OD2 3.23Å; R547-D565 PolarHBondContact N-O 2.78Å; R547-D565 IonicContact NE-OD1 3.61Å; R547-D565 PolarHBondContact NE-OD1 3.45Å; R547-D565 IonicContact NE-OD2 2.64Å; R547-D565 VanDerWaalsContact NH2-CG 3.32Å; R547-D565 IonicContact NH2-OD1 2.77Å; R547-D565 PolarHBondContact NH2-OD1 2.87Å; R547-D565 VanDerWaalsContact NH2-OD1 3.1Å; R547-D565 IonicContact NH2-OD2 2.68Å; R547-D565 PolarHBondContact NH2-OD2 3.16Å
566	Q	84.5	Confident	69.6	Low	36 Å²	36	56.1 Å²	56.1	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.5	175.7	177	175	-33.1	0	0	110.3	M55 D56 T57 Y58 H544 I545 E546 T568	M55-Q566 HydrophobicContact CB-CB 4.16Å; M55-Q566 HydrophobicContact CE-CB 4.3Å; D56-Q566 PolarHBondContact O-N 3.16Å; T57-Q566 CarbonylContact C-O 3.56Å; T57-Q566 VanDerWaalsContact CA-O 3.31Å; T57-Q566 WeakPolarHBondContact CA-O 3.39Å; T57-Q566 HydrophobicContact CG2-CB 4.16Å; T57-Q566 HydrophobicContact CG2-CG 4.47Å; Y58-Q566 PolarHBondContact N-O 3.28Å; H544-Q566 HydrophobicContact CB-CG 4.31Å; I545-Q566 CarbonylContact O-C 3.18Å; I545-Q566 WeakPolarHBondContact O-CA 3.26Å; E546-Q566 HydrophobicContact CG-CB 3.98Å; E546-Q566 HydrophobicContact CG-CG 3.73Å; Q566-T568 HydrophobicContact CG-CG2 4.36Å
567	L	87.4	Confident	71.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.4	175.3	-44.6	-178.8	0	0	0	109	Y58 I60 L63 H544 I545 F593 L604 I608	Y58-L567 HydrophobicContact CD2-CD2 4.09Å; Y58-L567 CarbonylContact O-C 3.58Å; Y58-L567 WeakPolarHBondContact O-CA 3.18Å; I60-L567 HydrophobicContact CD1-CB 3.92Å; I60-L567 HydrophobicContact CG1-CB 3.91Å; L63-L567 HydrophobicContact CD1-CD2 4.41Å; H544-L567 CarbonylContact C-O 3.54Å; H544-L567 VanDerWaalsContact CA-O 3.26Å; H544-L567 WeakPolarHBondContact CA-O 3.33Å; I545-L567 HydrophobicContact CB-CB 4.32Å; I545-L567 PolarHBondContact N-O 3.12Å; I545-L567 PolarHBondContact O-N 2.93Å; L567-F593 HydrophobicContact CD1-CE2 4.22Å; L567-F593 HydrophobicContact CD1-CZ 3.67Å; L567-L604 HydrophobicContact CD1-CD1 4.38Å; L567-I608 HydrophobicContact CD1-CD1 4.46Å; L567-I608 HydrophobicContact CD2-CD1 3.57Å
568	T	86.3	Confident	72.7	Confident	36 Å²	36	48.1 Å²	48.1	22%	0.221	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.5	-179	45.9	0	0	0	0	111.1	Y58 I60 H544 Q566	Y58-T568 PolarHBondContact O-N 2.96Å; Y58-T568 PolarHBondContact O-OG1 2.81Å; I60-T568 PolarHBondContact N-O 3.31Å; H544-T568 HydrophobicContact CB-CG2 4.26Å; Q566-T568 HydrophobicContact CG-CG2 4.36Å
569	I	83.1	Confident	74.1	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.051	25%	0.254	C	S	.	.			trans	-84.8	112.8	164.6	-62.9	-168.8	0	0	0	107.6	I60 K543 F572 E577 I579 T597	I60-I569 HydrophobicContact CD1-CG1 3.64Å; K543-I569 PolarHBondContact O-N 3.24Å; I569-F572 HydrophobicContact CG2-CE2 4.48Å; I569-E577 HydrophobicContact CG2-CB 4.1Å; I569-E577 HydrophobicContact CG2-CG 4.09Å; I569-I579 HydrophobicContact CD1-CD1 4.22Å; I569-I579 HydrophobicContact CD1-CG1 3.49Å; I569-I579 VanDerWaalsContact CD1-CG1 3.49Å; I569-I579 HydrophobicContact CG1-CD1 4.47Å; I569-I579 HydrophobicContact CG1-CG1 4.23Å; I569-T597 HydrophobicContact CD1-CG2 3.58Å
570	E	72.1	Confident	75.1	Confident	94 Å²	94	46.8 Å²	46.8	44%	0.439	26%	0.255	S	S	.	.			trans	-93.8	146.2	161.8	-65	-178.4	144.9	0	0	109.1	S59 K61 F572	S59-E570 VanDerWaalsContact CB-OE2 3.29Å; S59-E570 WeakPolarHBondContact CB-OE2 3.49Å; S59-E570 WeakPolarHBondContact OG-CG 3.34Å; S59-E570 PolarHBondContact OG-OE2 3.35Å; K61-E570 HydrophobicContact CD-CB 4.34Å; E570-F572 PolarHBondContact O-N 2.92Å
571	D	62.6	Low	76.1	Confident	56 Å²	56	45 Å²	45	30%	0.299	25%	0.246	S	C	.	.			trans	-58.8	124.7	-175.8	-67	-30.3	0	0	0	111	K61 G573 I574 N576 E577	K61-D571 PolarHBondContact NZ-O 3.12Å; D571-G573 PolarHBondContact O-N 3.16Å; D571-I574 VanDerWaalsContact CB-O 3.27Å; D571-I574 WeakPolarHBondContact CB-O 3.38Å; D571-N576 PolarHBondContact OD1-N 3.1Å; D571-E577 PolarHBondContact OD1-N 3.17Å
572	F	59.9	Low	76.8	Confident	51 Å²	51	43.3 Å²	43.3	22%	0.224	24%	0.237	C	C	.	.	S	Bend	trans	-74.3	27.8	177.9	-75.1	-88.4	0	0	0	112.8	I60 K61 I64 I71 I569 E570 I574 I602	I60-F572 HydrophobicContact CG2-CZ 4.47Å; K61-F572 HydrophobicContact CB-CD1 4.38Å; K61-F572 HydrophobicContact CB-CE1 3.8Å; K61-F572 HydrophobicContact CB-CZ 3.94Å; K61-F572 HydrophobicContact CD-CD1 4.49Å; K61-F572 HydrophobicContact CG-CD1 4.03Å; K61-F572 HydrophobicContact CG-CE1 3.85Å; K61-F572 HydrophobicContact CG-CZ 4.47Å; I64-F572 HydrophobicContact CD1-CE1 4.1Å; I64-F572 HydrophobicContact CD1-CZ 3.88Å; I71-F572 HydrophobicContact CD1-CE1 4.25Å; I71-F572 HydrophobicContact CD1-CZ 4.42Å; I569-F572 HydrophobicContact CG2-CE2 4.48Å; E570-F572 PolarHBondContact O-N 2.92Å; F572-I574 VanDerWaalsContact C-N 3.34Å; F572-I602 HydrophobicContact CE2-CD1 4.1Å; F572-I602 HydrophobicContact CZ-CD1 4.2Å
573	G	54.7	Low	77.6	Confident	78 Å²	78	44.9 Å²	44.9	80%	0.804	24%	0.242	S	C	*	.	S	Bend	trans	86.7	2.8	-166.6	0	0	0	0	0	113.9	D571	D571-G573 PolarHBondContact O-N 3.16Å
574	I	60.3	Low	78.1	Confident	81 Å²	81	44 Å²	44	42%	0.415	24%	0.236	S	C	.	.	S	Bend	trans	-115.6	118.2	172.1	-53.3	173	0	0	0	107.1	D571 F572 N599	D571-I574 VanDerWaalsContact CB-O 3.27Å; D571-I574 WeakPolarHBondContact CB-O 3.38Å; F572-I574 VanDerWaalsContact C-N 3.34Å; I574-N599 HydrophobicContact CD1-CB 4.26Å
575	E	60.3	Low	78.1	Confident	159 Å²	159	43.6 Å²	43.6	74%	0.743	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	143.1	179.5	-64.1	-179.3	179.1	0	0	111.7
576	N	70.3	Confident	77.5	Confident	110 Å²	110	49 Å²	49	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	40.8	172.3	-60.1	-60.3	0	0	0	115.4	D571 I578	D571-N576 PolarHBondContact OD1-N 3.1Å; N576-I578 PolarHBondContact O-N 3.29Å
577	E	82.2	Confident	76.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.			trans	-64.5	135.3	165.4	-167.9	154.8	155.1	0	0	111.3	I569 D571 T597 S598 N599 H600	I569-E577 HydrophobicContact CG2-CB 4.1Å; I569-E577 HydrophobicContact CG2-CG 4.09Å; D571-E577 PolarHBondContact OD1-N 3.17Å; E577-T597 HydrophobicContact CG-CG2 4.46Å; E577-T597 VanDerWaalsContact OE1-CB 3.28Å; E577-T597 WeakPolarHBondContact OE1-CB 3.37Å; E577-T597 WeakPolarHBondContact OE1-CG2 3.33Å; E577-T597 PolarHBondContact OE1-OG1 2.75Å; E577-S598 WeakPolarHBondContact CA-OG 3.41Å; E577-N599 WeakPolarHBondContact OE2-CB 3.45Å; E577-N599 PolarHBondContact OE2-ND2 2.9Å; E577-H600 VanDerWaalsContact CD-ND1 3.25Å; E577-H600 IonicContact OE1-CE1 2.8Å; E577-H600 IonicContact OE1-CG 2.67Å; E577-H600 IonicContact OE1-ND1 2.71Å; E577-H600 PolarHBondContact OE1-ND1 3.19Å; E577-H600 IonicContact OE2-CE1 2.66Å; E577-H600 PolarHBondContact OE2-CE1 2.69Å; E577-H600 IonicContact OE2-ND1 2.72Å; E577-H600 PolarHBondContact OE2-ND1 2.95Å
578	I	86.9	Confident	74.8	Confident	62 Å²	62	51.5 Å²	51.5	32%	0.318	27%	0.272	S	S	.	.			trans	-128.8	145.9	178.6	58.8	168.5	0	0	0	111.8	K542 N576 T580 T597 S598	K542-I578 CarbonylContact O-C 3.51Å; K542-I578 WeakPolarHBondContact O-CA 3.31Å; N576-I578 PolarHBondContact O-N 3.29Å; I578-T580 HydrophobicContact CG1-CG2 4.39Å; I578-T597 CarbonylContact O-C 3.46Å; I578-T597 WeakPolarHBondContact O-CA 3.16Å; I578-T597 VanDerWaalsContact O-CB 3.28Å; I578-T597 WeakPolarHBondContact O-CB 3.33Å; I578-S598 PolarHBondContact N-OG 3.14Å; I578-S598 VanDerWaalsContact N-OG 3.13Å; I578-S598 PolarHBondContact O-N 2.84Å
579	I	90.3	Very high	73.2	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.8	170.3	-59.4	165.5	0	0	0	108.7	A540 G541 K542 I545 I569 I595	A540-I579 HydrophobicContact CB-CG2 4.27Å; G541-I579 WeakPolarHBondContact O-CD1 3.3Å; K542-I579 PolarHBondContact O-N 3.07Å; I545-I579 HydrophobicContact CD1-CD1 4.2Å; I545-I579 HydrophobicContact CG1-CD1 3.61Å; I569-I579 HydrophobicContact CD1-CD1 4.22Å; I569-I579 HydrophobicContact CD1-CG1 3.49Å; I569-I579 VanDerWaalsContact CD1-CG1 3.49Å; I569-I579 HydrophobicContact CG1-CD1 4.47Å; I569-I579 HydrophobicContact CG1-CG1 4.23Å; I579-I595 HydrophobicContact CG1-CG2 4.44Å; I579-I595 HydrophobicContact CG2-CG2 4.32Å
580	T	89.7	Confident	71.9	Confident	25 Å²	25	61.6 Å²	61.6	15%	0.153	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-10.3	-179.5	45.4	0	0	0	0	112.6	Y80 H525 I578 L596 T597	Y80-T580 VanDerWaalsContact O-CB 3.25Å; Y80-T580 WeakPolarHBondContact O-CB 3.38Å; Y80-T580 PolarHBondContact O-OG1 3.41Å; H525-T580 PolarHBondContact CE1-O 2.8Å; H525-T580 PolarHBondContact NE2-O 3.31Å; I578-T580 HydrophobicContact CG1-CG2 4.39Å; T580-L596 PolarHBondContact N-O 2.73Å; T580-L596 PolarHBondContact OG1-O 3.35Å; T580-L596 VanDerWaalsContact OG1-O 3.1Å; T580-T597 VanDerWaalsContact OG1-CA 3.23Å; T580-T597 WeakPolarHBondContact OG1-CA 2.91Å; T580-T597 PolarHBondContact OG1-N 2.87Å; T580-T597 PolarHBondContact OG1-O 2.69Å
581	G	90.2	Very high	71.5	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	159.9	171.3	0	0	0	0	0	112.7	L596	G581-L596 PolarHBondContact N-O 3.3Å; G581-L596 PolarHBondContact O-N 2.84Å
582	I	92.5	Very high	72.2	Confident	3 Å²	3	59 Å²	59	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.7	169.6	-172.6	178.3	0	0	0	108.4	H525 E527 Y538 A540 I545 F593 Y594 I595	H525-I582 HydrophobicContact CB-CG2 3.69Å; E527-I582 HydrophobicContact CB-CG2 4.46Å; E527-I582 HydrophobicContact CG-CG2 3.9Å; E527-I582 VanDerWaalsContact CG-O 3.24Å; E527-I582 WeakPolarHBondContact CG-O 3.39Å; Y538-I582 HydrophobicContact CD1-CD1 4.07Å; Y538-I582 HydrophobicContact CG-CD1 4.5Å; A540-I582 HydrophobicContact CB-CG2 4.12Å; I545-I582 HydrophobicContact CD1-CD1 4Å; I545-I582 HydrophobicContact CG1-CD1 4.43Å; I545-I582 HydrophobicContact CG2-CD1 3.81Å; I582-F593 HydrophobicContact CD1-CD2 4.05Å; I582-F593 HydrophobicContact CD1-CE2 4.28Å; I582-F593 HydrophobicContact CG1-CD2 4.21Å; I582-Y594 CarbonylContact C-O 3.53Å; I582-Y594 VanDerWaalsContact CA-O 3.32Å; I582-Y594 WeakPolarHBondContact CA-O 3.47Å; I582-I595 HydrophobicContact CG1-CG1 4.48Å
583	Y	90.4	Very high	73.5	Confident	45 Å²	45	56.6 Å²	56.6	18%	0.176	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	120.8	-171.8	-63.3	-90.7	0	0	0	111.7	T81 L83 F593 Y594 L596	T81-Y583 PolarHBondContact O-OH 2.99Å; L83-Y583 HydrophobicContact CB-CD1 4.35Å; L83-Y583 HydrophobicContact CB-CD2 3.76Å; L83-Y583 HydrophobicContact CB-CE1 4.35Å; L83-Y583 HydrophobicContact CB-CE2 3.8Å; L83-Y583 HydrophobicContact CB-CG 4.06Å; L83-Y583 HydrophobicContact CD2-CG 4.36Å; L83-Y583 PolarHBondContact N-OH 3.01Å; Y583-F593 WeakPolarHBondContact O-CA 3.33Å; Y583-Y594 PolarHBondContact N-O 3.23Å; Y583-Y594 PolarHBondContact O-N 3Å; Y583-L596 HydrophobicContact CD2-CD1 4.31Å; Y583-L596 HydrophobicContact CD2-CG 4.19Å; Y583-L596 HydrophobicContact CE2-CD1 3.58Å; Y583-L596 HydrophobicContact CE2-CG 3.88Å
584	M	84.7	Confident	75.2	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.069	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.1	161.5	-63.2	-62.7	-41.7	0	0	108.9	E527 D529 Y538 F593	E527-M584 HydrophobicContact CB-CG 3.99Å; D529-M584 HydrophobicContact CB-CE 3.91Å; D529-M584 HydrophobicContact CB-CG 4.12Å; D529-M584 HydrophobicContact CB-SD 4.12Å; Y538-M584 HydrophobicContact CD2-SD 4.23Å; Y538-M584 HydrophobicContact CE1-SD 4.17Å; Y538-M584 HydrophobicContact CE2-SD 3.71Å; M584-F593 HydrophobicContact CE-CB 4.06Å; M584-F593 HydrophobicContact SD-CB 3.48Å; M584-F593 WeakPolarHBondContact SD-CB 3.35Å; M584-F593 HydrophobicContact SD-CG 4.36Å
585	K	73.9	Confident	76.8	Confident	44 Å²	44	49.3 Å²	49.3	19%	0.191	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.9	-176.9	-61.6	-65.3	175.2	171.8	0	110.9	L83 E85 Y594	L83-K585 HydrophobicContact CD2-CD 4.13Å; L83-K585 HydrophobicContact CD2-CG 3.97Å; E85-K585 HydrophobicContact CB-CD 3.71Å; E85-K585 HydrophobicContact CB-CG 4.43Å; E85-K585 HydrophobicContact CG-CD 4.35Å; E85-K585 WeakPolarHBondContact OE2-CD 3.1Å; K585-Y594 HydrophobicContact CB-CD2 4.16Å; K585-Y594 HydrophobicContact CB-CE2 3.96Å; K585-Y594 HydrophobicContact CG-CD2 4.06Å; K585-Y594 HydrophobicContact CG-CE2 4.3Å
586	H	65.9	Low	78.4	Confident	116 Å²	116	41.8 Å²	41.8	54%	0.537	21%	0.214	S	C	.	.			trans	-129	2.5	-155.5	-71.3	-16.8	0	0	0	116.7	E85 K588	E85-H586 PolarHBondContact OE1-N 2.8Å; H586-K588 PolarHBondContact O-N 2.86Å; H586-K588 VanDerWaalsContact O-N 3.09Å
587	I	57.7	Low	79.4	Confident	44 Å²	44	36.5 Å²	36.5	23%	0.226	19%	0.186	C	C	.	.	S	Bend	trans	-43.8	-42.9	174.6	-51.1	-172.1	0	0	0	113.5	E85 D90 I92 P106	E85-I587 HydrophobicContact CG-CD1 4.12Å; E85-I587 HydrophobicContact CG-CG1 3.91Å; E85-I587 WeakPolarHBondContact OE1-CG1 3.45Å; E85-I587 PolarHBondContact OE1-N 2.92Å; D90-I587 VanDerWaalsContact OD1-CG2 3.22Å; D90-I587 WeakPolarHBondContact OD1-CG2 3.34Å; I92-I587 HydrophobicContact CG2-CD1 4.38Å; P106-I587 HydrophobicContact CB-CD1 3.69Å; P106-I587 HydrophobicContact CG-CD1 3.65Å; P106-I587 HydrophobicContact CG-CG2 4.48Å
588	K	57.8	Low	79.8	Confident	45 Å²	45	37.7 Å²	37.7	20%	0.196	19%	0.194	C	C	.	.	S	Bend	trans	-101.7	147.5	-172.5	-71.9	170.9	175.2	172.5	0	113.6	P106 H586 N590 E592	P106-K588 PolarHBondContact O-NZ 2.85Å; H586-K588 PolarHBondContact O-N 2.86Å; H586-K588 VanDerWaalsContact O-N 3.09Å; K588-N590 VanDerWaalsContact CB-O 3.26Å; K588-N590 WeakPolarHBondContact CB-O 3.45Å; K588-N590 PolarHBondContact O-N 2.6Å; K588-E592 VanDerWaalsContact CD-OE1 3.29Å; K588-E592 WeakPolarHBondContact CD-OE1 3.44Å; K588-E592 WeakPolarHBondContact CD-OE2 3.41Å; K588-E592 IonicContact NZ-OE1 2.56Å; K588-E592 PolarHBondContact NZ-OE1 3.26Å; K588-E592 IonicContact NZ-OE2 2.68Å; K588-E592 PolarHBondContact NZ-OE2 2.85Å
589	P	52.9	Low	79.9	Confident	133 Å²	133	36.5 Å²	36.5	86%	0.864	19%	0.189	S	C	*	.	S	Bend	trans	-64.7	-30	167.2	28.4	-34.7	0	0	0	112.1	K591	P589-K591 PolarHBondContact O-N 3Å
590	N	55.6	Low	79.9	Confident	126 Å²	126	36.9 Å²	36.9	67%	0.674	19%	0.19	S	C	*	.	S	Bend	trans	-80.6	100.5	165.8	-69.5	-7.2	0	0	0	108.2	K588 E592	K588-N590 VanDerWaalsContact CB-O 3.26Å; K588-N590 WeakPolarHBondContact CB-O 3.45Å; K588-N590 PolarHBondContact O-N 2.6Å; N590-E592 PolarHBondContact O-N 2.81Å
591	K	62.7	Low	80	Confident	59 Å²	59	35.7 Å²	35.7	26%	0.257	18%	0.183	S	C	.	.			trans	-59.8	131	177.6	-73.4	-176.1	166.8	-166.5	0	111.3	D529 H530 P589 R606	D529-K591 WeakPolarHBondContact OD1-CD 3.43Å; D529-K591 IonicContact OD1-NZ 2.78Å; D529-K591 PolarHBondContact OD1-NZ 2.82Å; H530-K591 PolarHBondContact O-NZ 3.02Å; P589-K591 PolarHBondContact O-N 3Å; K591-R606 HydrophobicContact CB-CB 4.13Å; K591-R606 WeakPolarHBondContact O-CB 3.32Å; K591-R606 PolarHBondContact O-N 3.4Å; K591-R606 VanDerWaalsContact O-N 3.11Å
592	E	77.1	Confident	80.1	Confident	36 Å²	36	35.7 Å²	35.7	17%	0.168	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	161.1	178.5	-71.9	164.3	-172.6	0	0	109.1	K588 N590 Q603 L604	K588-E592 VanDerWaalsContact CD-OE1 3.29Å; K588-E592 WeakPolarHBondContact CD-OE1 3.44Å; K588-E592 WeakPolarHBondContact CD-OE2 3.41Å; K588-E592 IonicContact NZ-OE1 2.56Å; K588-E592 PolarHBondContact NZ-OE1 3.26Å; K588-E592 IonicContact NZ-OE2 2.68Å; K588-E592 PolarHBondContact NZ-OE2 2.85Å; N590-E592 PolarHBondContact O-N 2.81Å; E592-Q603 PolarHBondContact OE2-NE2 3.05Å; E592-L604 WeakPolarHBondContact CA-O 3.36Å
593	F	87.1	Confident	80.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.4	177.5	74.8	-81.6	0	0	0	111.5	Y538 L567 I582 Y583 M584 I595 L604 P605	Y538-F593 HydrophobicContact CE1-CD1 4.17Å; Y538-F593 HydrophobicContact CE1-CD2 4.24Å; Y538-F593 HydrophobicContact CE1-CE1 4.23Å; Y538-F593 HydrophobicContact CE1-CE2 4.3Å; Y538-F593 HydrophobicContact CE1-CG 4.18Å; Y538-F593 HydrophobicContact CE1-CZ 4.3Å; L567-F593 HydrophobicContact CD1-CE2 4.22Å; L567-F593 HydrophobicContact CD1-CZ 3.67Å; I582-F593 HydrophobicContact CD1-CD2 4.05Å; I582-F593 HydrophobicContact CD1-CE2 4.28Å; I582-F593 HydrophobicContact CG1-CD2 4.21Å; Y583-F593 WeakPolarHBondContact O-CA 3.33Å; M584-F593 HydrophobicContact CE-CB 4.06Å; M584-F593 HydrophobicContact SD-CB 3.48Å; M584-F593 WeakPolarHBondContact SD-CB 3.35Å; M584-F593 HydrophobicContact SD-CG 4.36Å; F593-I595 HydrophobicContact CD2-CG1 4.16Å; F593-I595 HydrophobicContact CE2-CD1 3.95Å; F593-I595 HydrophobicContact CE2-CG1 3.92Å; F593-L604 HydrophobicContact CD1-CB 4.09Å; F593-L604 WeakPolarHBondContact CD1-O 3.43Å; F593-L604 HydrophobicContact CE1-CB 3.54Å; F593-L604 HydrophobicContact CE1-CD1 4.41Å; F593-L604 HydrophobicContact CE2-CB 4.32Å; F593-L604 HydrophobicContact CE2-CD1 4.18Å; F593-L604 HydrophobicContact CZ-CB 3.67Å; F593-L604 HydrophobicContact CZ-CD1 3.71Å; F593-L604 HydrophobicContact CZ-CG 4.31Å; F593-L604 PolarHBondContact N-O 3.36Å; F593-L604 PolarHBondContact O-N 2.78Å; F593-P605 WeakPolarHBondContact CE1-O 3.27Å
594	Y	91.9	Very high	80	Confident	7 Å²	7	33.7 Å²	33.7	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.4	-174.7	-60.6	-95.4	0	0	0	109.4	L83 I92 P106 L109 I582 Y583 K585 I602 Q603	L83-Y594 HydrophobicContact CD1-CD1 4.27Å; L83-Y594 HydrophobicContact CD1-CG 3.98Å; I92-Y594 HydrophobicContact CD1-CD1 3.98Å; I92-Y594 HydrophobicContact CD1-CE1 3.67Å; P106-Y594 WeakPolarHBondContact CB-OH 3.22Å; P106-Y594 PolarHBondContact O-OH 2.68Å; L109-Y594 HydrophobicContact CD2-CD1 4.16Å; L109-Y594 HydrophobicContact CD2-CE1 3.85Å; I582-Y594 CarbonylContact C-O 3.53Å; I582-Y594 VanDerWaalsContact CA-O 3.32Å; I582-Y594 WeakPolarHBondContact CA-O 3.47Å; Y583-Y594 PolarHBondContact N-O 3.23Å; Y583-Y594 PolarHBondContact O-N 3Å; K585-Y594 HydrophobicContact CB-CD2 4.16Å; K585-Y594 HydrophobicContact CB-CE2 3.96Å; K585-Y594 HydrophobicContact CG-CD2 4.06Å; K585-Y594 HydrophobicContact CG-CE2 4.3Å; Y594-I602 CarbonylContact C-O 3.58Å; Y594-I602 WeakPolarHBondContact CA-O 3.33Å; Y594-Q603 HydrophobicContact CD1-CB 4.03Å; Y594-Q603 HydrophobicContact CD1-CG 4.25Å; Y594-Q603 HydrophobicContact CE1-CB 4Å; Y594-Q603 HydrophobicContact CE1-CG 3.82Å
595	I	93	Very high	79.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.4	172.8	-52.5	163.9	0	0	0	106.7	I60 I545 I579 I582 F593 T597 I602 L604	I60-I595 HydrophobicContact CD1-CD1 3.87Å; I545-I595 HydrophobicContact CD1-CD1 3.44Å; I545-I595 VanDerWaalsContact CD1-CD1 3.44Å; I545-I595 HydrophobicContact CD1-CG1 3.71Å; I545-I595 HydrophobicContact CD1-CG2 4.22Å; I579-I595 HydrophobicContact CG1-CG2 4.44Å; I579-I595 HydrophobicContact CG2-CG2 4.32Å; I582-I595 HydrophobicContact CG1-CG1 4.48Å; F593-I595 HydrophobicContact CD2-CG1 4.16Å; F593-I595 HydrophobicContact CE2-CD1 3.95Å; F593-I595 HydrophobicContact CE2-CG1 3.92Å; I595-T597 HydrophobicContact CG2-CG2 4.16Å; I595-I602 HydrophobicContact CB-CB 4.3Å; I595-I602 HydrophobicContact CD1-CG2 4.46Å; I595-I602 PolarHBondContact N-O 2.85Å; I595-I602 PolarHBondContact O-N 2.88Å; I595-L604 HydrophobicContact CD1-CD1 3.85Å
596	L	93.3	Very high	79.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.6	167.6	-50.5	-173.1	0	0	0	109.1	Y80 L83 V94 T580 G581 Y583 V601	Y80-L596 VanDerWaalsContact O-CB 3.25Å; Y80-L596 WeakPolarHBondContact O-CB 3.23Å; L83-L596 HydrophobicContact CB-CD1 4.15Å; L83-L596 HydrophobicContact CB-CD2 4.42Å; L83-L596 HydrophobicContact CD1-CD2 4.15Å; V94-L596 HydrophobicContact CG1-CD1 4.16Å; V94-L596 HydrophobicContact CG1-CD2 3.91Å; T580-L596 PolarHBondContact N-O 2.73Å; T580-L596 PolarHBondContact OG1-O 3.35Å; T580-L596 VanDerWaalsContact OG1-O 3.1Å; G581-L596 PolarHBondContact N-O 3.3Å; G581-L596 PolarHBondContact O-N 2.84Å; Y583-L596 HydrophobicContact CD2-CD1 4.31Å; Y583-L596 HydrophobicContact CD2-CG 4.19Å; Y583-L596 HydrophobicContact CE2-CD1 3.58Å; Y583-L596 HydrophobicContact CE2-CG 3.88Å; L596-V601 HydrophobicContact CD2-CB 4.4Å; L596-V601 HydrophobicContact CD2-CG1 3.91Å; L596-V601 HydrophobicContact CD2-CG2 4.03Å
597	T	92.7	Very high	80	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	176.1	176.6	84.7	0	0	0	0	111.8	Y80 I569 E577 I578 T580 I595 N599 H600 I602	Y80-T597 PolarHBondContact N-O 2.87Å; Y80-T597 VanDerWaalsContact N-O 3.11Å; I569-T597 HydrophobicContact CD1-CG2 3.58Å; E577-T597 HydrophobicContact CG-CG2 4.46Å; E577-T597 VanDerWaalsContact OE1-CB 3.28Å; E577-T597 WeakPolarHBondContact OE1-CB 3.37Å; E577-T597 WeakPolarHBondContact OE1-CG2 3.33Å; E577-T597 PolarHBondContact OE1-OG1 2.75Å; I578-T597 CarbonylContact O-C 3.46Å; I578-T597 WeakPolarHBondContact O-CA 3.16Å; I578-T597 VanDerWaalsContact O-CB 3.28Å; I578-T597 WeakPolarHBondContact O-CB 3.33Å; T580-T597 VanDerWaalsContact OG1-CA 3.23Å; T580-T597 WeakPolarHBondContact OG1-CA 2.91Å; T580-T597 PolarHBondContact OG1-N 2.87Å; T580-T597 PolarHBondContact OG1-O 2.69Å; I595-T597 HydrophobicContact CG2-CG2 4.16Å; T597-N599 PolarHBondContact O-N 3.42Å; T597-N599 PolarHBondContact OG1-N 3.37Å; T597-N599 VanDerWaalsContact OG1-N 3.08Å; T597-H600 PolarHBondContact N-O 2.86Å; T597-H600 PolarHBondContact OG1-N 3.13Å; T597-H600 PolarHBondContact OG1-O 2.88Å; T597-I602 HydrophobicContact CG2-CD1 4.23Å
598	S	89.7	Confident	80.4	Confident	24 Å²	24	29.3 Å²	29.3	17%	0.168	16%	0.155	C	C	.	.	S	Bend	trans	-60.1	-16.1	170.5	55.7	0	0	0	0	114.6	G78 N79 E577 I578	G78-S598 CarbonylContact C-O 3.53Å; G78-S598 WeakPolarHBondContact CA-O 3.46Å; N79-S598 PolarHBondContact N-O 3.16Å; E577-S598 WeakPolarHBondContact CA-OG 3.41Å; I578-S598 PolarHBondContact N-OG 3.14Å; I578-S598 VanDerWaalsContact N-OG 3.13Å; I578-S598 PolarHBondContact O-N 2.84Å
599	N	88.5	Confident	80.4	Confident	37 Å²	37	30.7 Å²	30.7	20%	0.198	16%	0.163	C	C	.	.	S	Bend	trans	-131.6	-24.6	-175	-58.7	-39.6	0	0	0	114.3	Y80 I574 E577 T597	Y80-N599 WeakPolarHBondContact CE2-O 3.32Å; I574-N599 HydrophobicContact CD1-CB 4.26Å; E577-N599 WeakPolarHBondContact OE2-CB 3.45Å; E577-N599 PolarHBondContact OE2-ND2 2.9Å; T597-N599 PolarHBondContact O-N 3.42Å; T597-N599 PolarHBondContact OG1-N 3.37Å; T597-N599 VanDerWaalsContact OG1-N 3.08Å
600	H	90.9	Very high	80.8	Confident	17 Å²	17	25.4 Å²	25.4	8%	0.079	13%	0.127	C	C	.	.			trans	-138.2	157.7	-166.5	-57.1	105.3	0	0	0	113	I71 F72 E577 T597 I602	I71-H600 HydrophobicContact CD1-CB 4.04Å; I71-H600 HydrophobicContact CG1-CB 4.05Å; F72-H600 CarbonylContact O-C 3.52Å; F72-H600 WeakPolarHBondContact O-CA 3.34Å; E577-H600 VanDerWaalsContact CD-ND1 3.25Å; E577-H600 IonicContact OE1-CE1 2.8Å; E577-H600 IonicContact OE1-CG 2.67Å; E577-H600 IonicContact OE1-ND1 2.71Å; E577-H600 PolarHBondContact OE1-ND1 3.19Å; E577-H600 IonicContact OE2-CE1 2.66Å; E577-H600 PolarHBondContact OE2-CE1 2.69Å; E577-H600 IonicContact OE2-ND1 2.72Å; E577-H600 PolarHBondContact OE2-ND1 2.95Å; T597-H600 PolarHBondContact N-O 2.86Å; T597-H600 PolarHBondContact OG1-N 3.13Å; T597-H600 PolarHBondContact OG1-O 2.88Å; H600-I602 HydrophobicContact CB-CD1 4.33Å; H600-I602 HydrophobicContact CB-CG1 4.08Å
601	V	92.7	Very high	81.2	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	159.7	-179.4	0	0	0	0	106.7	I71 F72 Y80 V94 L104 L109 L596	I71-V601 CarbonylContact C-O 3.59Å; I71-V601 WeakPolarHBondContact CA-O 3.3Å; F72-V601 HydrophobicContact CB-CB 4.3Å; F72-V601 HydrophobicContact CD1-CB 4.15Å; F72-V601 HydrophobicContact CD1-CG2 3.94Å; F72-V601 PolarHBondContact N-O 3.19Å; F72-V601 PolarHBondContact O-N 3.25Å; Y80-V601 HydrophobicContact CD1-CG2 3.76Å; Y80-V601 HydrophobicContact CD2-CG2 4.02Å; Y80-V601 HydrophobicContact CE1-CG2 4.15Å; Y80-V601 HydrophobicContact CE2-CG2 4.42Å; Y80-V601 HydrophobicContact CG-CG2 3.68Å; V94-V601 HydrophobicContact CG1-CG2 4Å; V94-V601 HydrophobicContact CG2-CG2 4.48Å; L104-V601 HydrophobicContact CD1-CG1 4.29Å; L109-V601 HydrophobicContact CD1-CG1 4.19Å; L109-V601 WeakPolarHBondContact CD1-O 3.46Å; L109-V601 HydrophobicContact CD2-CG1 4.3Å; L596-V601 HydrophobicContact CD2-CB 4.4Å; L596-V601 HydrophobicContact CD2-CG1 3.91Å; L596-V601 HydrophobicContact CD2-CG2 4.03Å
602	I	92	Very high	81.2	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.1	-175.4	-63.8	167.3	0	0	0	109.1	I60 I64 I71 F572 Y594 I595 T597 H600 L604	I60-I602 HydrophobicContact CG2-CD1 4Å; I60-I602 HydrophobicContact CG2-CG2 4.07Å; I64-I602 HydrophobicContact CD1-CD1 4.25Å; I64-I602 HydrophobicContact CD1-CG1 4.18Å; I64-I602 HydrophobicContact CD1-CG2 3.82Å; I64-I602 HydrophobicContact CG1-CG2 4.47Å; I71-I602 HydrophobicContact CD1-CD1 4.44Å; I71-I602 HydrophobicContact CD1-CG1 4.03Å; I71-I602 HydrophobicContact CG1-CG1 3.95Å; F572-I602 HydrophobicContact CE2-CD1 4.1Å; F572-I602 HydrophobicContact CZ-CD1 4.2Å; Y594-I602 CarbonylContact C-O 3.58Å; Y594-I602 WeakPolarHBondContact CA-O 3.33Å; I595-I602 HydrophobicContact CB-CB 4.3Å; I595-I602 HydrophobicContact CD1-CG2 4.46Å; I595-I602 PolarHBondContact N-O 2.85Å; I595-I602 PolarHBondContact O-N 2.88Å; T597-I602 HydrophobicContact CG2-CD1 4.23Å; H600-I602 HydrophobicContact CB-CD1 4.33Å; H600-I602 HydrophobicContact CB-CG1 4.08Å; I602-L604 HydrophobicContact CG2-CG 4.14Å
603	Q	91	Very high	80.6	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.3	178.1	173.6	-177.9	13.9	0	0	109.6	G69 N70 P106 L109 E592 Y594	G69-Q603 CarbonylContact C-O 3.53Å; G69-Q603 WeakPolarHBondContact CA-O 3.3Å; N70-Q603 HydrophobicContact CB-CB 4.25Å; N70-Q603 PolarHBondContact N-O 3.02Å; N70-Q603 VanDerWaalsContact N-O 3.09Å; N70-Q603 PolarHBondContact ND2-OE1 3.11Å; N70-Q603 PolarHBondContact O-N 3.04Å; P106-Q603 PolarHBondContact O-NE2 2.05Å; L109-Q603 HydrophobicContact CD1-CB 3.92Å; L109-Q603 HydrophobicContact CD2-CB 4.32Å; L109-Q603 HydrophobicContact CG-CB 4.16Å; E592-Q603 PolarHBondContact OE2-NE2 3.05Å; Y594-Q603 HydrophobicContact CD1-CB 4.03Å; Y594-Q603 HydrophobicContact CD1-CG 4.25Å; Y594-Q603 HydrophobicContact CE1-CB 4Å; Y594-Q603 HydrophobicContact CE1-CG 3.82Å
604	L	88.4	Confident	79.7	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.3	179	-67.1	175.4	0	0	0	111.4	I60 L63 Q68 L567 E592 F593 I595 I602	I60-L604 HydrophobicContact CG1-CD1 4.45Å; I60-L604 HydrophobicContact CG2-CD1 4.41Å; L63-L604 HydrophobicContact CB-CD2 4.29Å; L63-L604 HydrophobicContact CD1-CD1 4.34Å; Q68-L604 VanDerWaalsContact O-CD2 3.31Å; Q68-L604 WeakPolarHBondContact O-CD2 3.29Å; L567-L604 HydrophobicContact CD1-CD1 4.38Å; E592-L604 WeakPolarHBondContact CA-O 3.36Å; F593-L604 HydrophobicContact CD1-CB 4.09Å; F593-L604 WeakPolarHBondContact CD1-O 3.43Å; F593-L604 HydrophobicContact CE1-CB 3.54Å; F593-L604 HydrophobicContact CE1-CD1 4.41Å; F593-L604 HydrophobicContact CE2-CB 4.32Å; F593-L604 HydrophobicContact CE2-CD1 4.18Å; F593-L604 HydrophobicContact CZ-CB 3.67Å; F593-L604 HydrophobicContact CZ-CD1 3.71Å; F593-L604 HydrophobicContact CZ-CG 4.31Å; F593-L604 PolarHBondContact N-O 3.36Å; F593-L604 PolarHBondContact O-N 2.78Å; I595-L604 HydrophobicContact CD1-CD1 3.85Å; I602-L604 HydrophobicContact CG2-CG 4.14Å
605	P	80.2	Confident	78.8	Confident	28 Å²	28	31 Å²	31	18%	0.182	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	142.2	171.2	31	-34.7	0	0	0	110	Q68 F593 F607	Q68-P605 WeakPolarHBondContact O-CD 3.46Å; F593-P605 WeakPolarHBondContact CE1-O 3.27Å; P605-F607 PolarHBondContact O-N 3.06Å
606	R	75.6	Confident	78	Confident	21 Å²	21	36.5 Å²	36.5	8%	0.079	18%	0.178	C	C	.	.	S	Bend	trans	-47.3	-48.1	174.2	177.2	-153.3	-137.4	-167.5	7.3	112.2	D529 H530 S531 R547 K591	D529-R606 IonicContact OD1-CZ 3.38Å; D529-R606 IonicContact OD1-NE 3.3Å; D529-R606 IonicContact OD1-NH2 2.69Å; D529-R606 PolarHBondContact OD1-NH2 2.94Å; D529-R606 IonicContact OD2-CZ 2.76Å; D529-R606 VanDerWaalsContact OD2-CZ 3.24Å; D529-R606 IonicContact OD2-NE 3.74Å; D529-R606 PolarHBondContact OD2-NE 3.22Å; D529-R606 IonicContact OD2-NH2 2.68Å; D529-R606 PolarHBondContact OD2-NH2 3.23Å; H530-R606 VanDerWaalsContact C-NH2 3.27Å; H530-R606 PolarHBondContact O-NH2 2.98Å; S531-R606 VanDerWaalsContact CB-NH1 3.28Å; S531-R606 VanDerWaalsContact CB-NH2 3.34Å; S531-R606 PolarHBondContact OG-NH1 2.76Å; R547-R606 PolarHBondContact NH1-O 2.83Å; K591-R606 HydrophobicContact CB-CB 4.13Å; K591-R606 WeakPolarHBondContact O-CB 3.32Å; K591-R606 PolarHBondContact O-N 3.4Å; K591-R606 VanDerWaalsContact O-N 3.11Å
607	F	68.8	Low	77	Confident	62 Å²	62	39.2 Å²	39.2	27%	0.272	20%	0.197	S	C	.	.	S	Bend	trans	-104.3	107.4	176.5	-61.5	-43.7	0	0	0	108.5	I536 W564 P605 Q609 L627	I536-F607 HydrophobicContact CD1-CE1 3.99Å; W564-F607 HydrophobicContact CH2-CE1 4.33Å; W564-F607 HydrophobicContact CZ2-CE1 4.34Å; P605-F607 PolarHBondContact O-N 3.06Å; F607-Q609 WeakPolarHBondContact O-CG 3.43Å; F607-Q609 PolarHBondContact O-N 2.99Å; F607-L627 HydrophobicContact CB-CD1 3.82Å; F607-L627 HydrophobicContact CD1-CD1 3.47Å; F607-L627 VanDerWaalsContact CD1-CD1 3.47Å; F607-L627 HydrophobicContact CD1-CD2 4.39Å; F607-L627 HydrophobicContact CE1-CD1 4.13Å; F607-L627 HydrophobicContact CE1-CD2 4.29Å; F607-L627 HydrophobicContact CG-CD1 3.72Å; F607-L627 HydrophobicContact CZ-CD2 4.48Å
608	I	66.3	Low	75.8	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.072	22%	0.221	C	C	.	.			trans	-64.7	120.2	176.1	-56.5	170.5	0	0	0	107.6	L63 L567 L610	L63-I608 HydrophobicContact CD1-CD1 3.74Å; L63-I608 HydrophobicContact CD1-CG1 4.42Å; L63-I608 HydrophobicContact CD1-CG2 4.44Å; L63-I608 HydrophobicContact CD2-CG2 3.59Å; L567-I608 HydrophobicContact CD1-CD1 4.46Å; L567-I608 HydrophobicContact CD2-CD1 3.57Å; I608-L610 HydrophobicContact CG2-CD1 3.9Å; I608-L610 HydrophobicContact CG2-CG 3.93Å; I608-L610 PolarHBondContact O-N 2.78Å
609	Q	57.2	Low	74.7	Confident	74 Å²	74	45 Å²	45	35%	0.346	23%	0.229	S	C	.	.			trans	-85.3	45.9	-166.6	-53.7	-175.9	-48	0	0	112.8	Q68 F607 C611 E612 I639	Q68-Q609 VanDerWaalsContact OE1-CB 3.31Å; F607-Q609 WeakPolarHBondContact O-CG 3.43Å; F607-Q609 PolarHBondContact O-N 2.99Å; Q609-C611 PolarHBondContact O-N 2.91Å; Q609-E612 PolarHBondContact O-N 3.06Å; Q609-I639 HydrophobicContact CB-CD1 4.28Å; Q609-I639 HydrophobicContact CG-CD1 3.92Å
610	L	62.5	Low	73.7	Confident	23 Å²	23	43.5 Å²	43.5	12%	0.12	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-17.1	174.9	-76.3	155	0	0	0	113.1	Y58 I608 E612 T613 I614 L625	Y58-L610 HydrophobicContact CD1-CD1 4.05Å; Y58-L610 HydrophobicContact CE1-CD1 3.43Å; Y58-L610 VanDerWaalsContact CE1-CD1 3.43Å; Y58-L610 HydrophobicContact CE2-CD1 4.13Å; Y58-L610 VanDerWaalsContact CZ-CD1 3.48Å; I608-L610 HydrophobicContact CG2-CD1 3.9Å; I608-L610 HydrophobicContact CG2-CG 3.93Å; I608-L610 PolarHBondContact O-N 2.78Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 3.24Å; L610-T613 PolarHBondContact O-N 3.12Å; L610-T613 PolarHBondContact O-OG1 2.96Å; L610-I614 VanDerWaalsContact O-CD1 3.28Å; L610-I614 WeakPolarHBondContact O-CD1 3.31Å; L610-I614 VanDerWaalsContact O-CG1 3.28Å; L610-I614 WeakPolarHBondContact O-CG1 3.33Å; L610-L625 HydrophobicContact CB-CD1 3.58Å; L610-L625 HydrophobicContact CD1-CD1 4.24Å; L610-L625 HydrophobicContact CD1-CD2 4.3Å
611	C	63.3	Low	72.4	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-46.5	173.3	-49.5	0	0	0	0	111.5	Q609 T613 I614 C628 C637 I639	Q609-C611 PolarHBondContact O-N 2.91Å; C611-T613 VanDerWaalsContact C-N 3.26Å; C611-T613 PolarHBondContact O-N 3.3Å; C611-I614 PolarHBondContact O-N 3.24Å; C611-C628 WeakPolarHBondContact CA-SG 3.49Å; C611-C628 HydrophobicContact CB-CB 3.9Å; C611-C628 WeakPolarHBondContact CB-SG 3.25Å; C611-C628 WeakPolarHBondContact SG-CA 3.22Å; C611-C628 WeakPolarHBondContact SG-CB 3.35Å; C611-C628 CovalentContact SG-SG 2.05Å; C611-C628 PolarHBondContact SG-SG 3.43Å; C611-C637 CarbonylContact C-O 3.48Å; C611-C637 WeakPolarHBondContact CB-O 3.26Å; C611-C637 VanDerWaalsContact O-CB 3.22Å; C611-C637 WeakPolarHBondContact O-CB 3.05Å; C611-I639 HydrophobicContact CB-CG1 4.12Å
612	E	62.9	Low	70.4	Confident	131 Å²	131	54.5 Å²	54.5	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-72.7	-18.1	-173.3	-59.9	-170.4	-173.3	0	0	113.6	Q609 L610	Q609-E612 PolarHBondContact O-N 3.06Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 3.24Å
613	T	64.8	Low	68.3	Low	72 Å²	72	56.6 Å²	56.6	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-77.1	-23.5	172.6	72.7	0	0	0	0	112.1	L610 C611 K615	L610-T613 PolarHBondContact O-N 3.12Å; L610-T613 PolarHBondContact O-OG1 2.96Å; C611-T613 VanDerWaalsContact C-N 3.26Å; C611-T613 PolarHBondContact O-N 3.3Å; T613-K615 WeakPolarHBondContact O-CG 3.11Å; T613-K615 PolarHBondContact O-N 3.42Å
614	I	68.9	Low	66.2	Low	16 Å²	16	58.9 Å²	58.9	8%	0.082	31%	0.305	C	S	.	.			trans	-84	101.1	-174.3	-58.8	156.5	0	0	0	111.3	L610 C611 E619 C620 T623 L625 C637	L610-I614 VanDerWaalsContact O-CD1 3.28Å; L610-I614 WeakPolarHBondContact O-CD1 3.31Å; L610-I614 VanDerWaalsContact O-CG1 3.28Å; L610-I614 WeakPolarHBondContact O-CG1 3.33Å; C611-I614 PolarHBondContact O-N 3.24Å; I614-E619 HydrophobicContact CG2-CB 3.69Å; I614-E619 HydrophobicContact CG2-CG 3.8Å; I614-C620 HydrophobicContact CG2-CB 3.8Å; I614-C620 VanDerWaalsContact CG2-N 3.29Å; I614-T623 HydrophobicContact CD1-CG2 3.68Å; I614-T623 HydrophobicContact CG1-CG2 4.4Å; I614-L625 HydrophobicContact CD1-CD1 4.22Å; I614-C637 HydrophobicContact CB-CB 4.15Å; I614-C637 WeakPolarHBondContact O-CB 3.29Å
615	K	72.5	Confident	64.5	Low	123 Å²	123	60.2 Å²	60.2	54%	0.535	31%	0.312	S	S	.	.			trans	-94.2	-3.3	-175.5	-48.1	-155.5	-171.9	-173.5	0	115.4	T613 I935	T613-K615 WeakPolarHBondContact O-CG 3.11Å; T613-K615 PolarHBondContact O-N 3.42Å; K615-I935 HydrophobicContact CD-CD1 4.33Å; K615-I935 HydrophobicContact CD-CG1 4.03Å; K615-I935 HydrophobicContact CD-CG2 4.34Å; K615-I935 VanDerWaalsContact NZ-CD1 3.27Å
616	K	75.2	Confident	63.1	Low	115 Å²	115	64.6 Å²	64.6	50%	0.5	33%	0.332	S	S	.	.			trans	-106.5	135.4	176.8	-46.9	-177.1	-155.3	79.6	0	110.6	S618 E619 C620	K616-S618 PolarHBondContact O-N 3.4Å; K616-E619 HydrophobicContact CB-CB 3.79Å; K616-E619 WeakPolarHBondContact CD-OE2 3.34Å; K616-E619 VanDerWaalsContact CG-OE2 3.31Å; K616-E619 WeakPolarHBondContact CG-OE2 3.36Å; K616-E619 IonicContact NZ-OE1 2.8Å; K616-E619 PolarHBondContact NZ-OE1 3.26Å; K616-E619 IonicContact NZ-OE2 2.63Å; K616-E619 PolarHBondContact NZ-OE2 3.09Å; K616-E619 WeakPolarHBondContact O-CB 3.25Å; K616-E619 PolarHBondContact O-N 3.17Å; K616-C620 PolarHBondContact O-N 3.24Å
617	S	74	Confident	62.3	Low	57 Å²	57	65.6 Å²	65.6	40%	0.399	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-42.8	177.8	56.7	0	0	0	0	112.9	E619 C620 I621	S617-E619 PolarHBondContact O-N 2.89Å; S617-C620 PolarHBondContact O-N 3.28Å; S617-I621 WeakPolarHBondContact O-CB 3.31Å; S617-I621 WeakPolarHBondContact O-CD1 3.1Å; S617-I621 WeakPolarHBondContact O-CG1 3.47Å; S617-I621 PolarHBondContact O-N 3.11Å
618	S	67.1	Low	62	Low	71 Å²	71	63 Å²	63	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-33.9	175.2	56.1	0	0	0	0	112.7	K616 N622	K616-S618 PolarHBondContact O-N 3.4Å; S618-N622 WeakPolarHBondContact O-CB 3.48Å; S618-N622 PolarHBondContact O-N 3.02Å; S618-N622 VanDerWaalsContact O-N 3.12Å; S618-N622 PolarHBondContact O-ND2 3Å; S618-N622 PolarHBondContact O-OD1 2.93Å
619	E	66.2	Low	62.2	Low	74 Å²	74	67.1 Å²	67.1	35%	0.346	35%	0.345	S	S	.	.	H	α-helix	trans	-76	-49.6	-179.8	-161.5	162.9	-125.9	0	0	109	I614 K616 S617 I621 N622 T623	I614-E619 HydrophobicContact CG2-CB 3.69Å; I614-E619 HydrophobicContact CG2-CG 3.8Å; K616-E619 HydrophobicContact CB-CB 3.79Å; K616-E619 WeakPolarHBondContact CD-OE2 3.34Å; K616-E619 VanDerWaalsContact CG-OE2 3.31Å; K616-E619 WeakPolarHBondContact CG-OE2 3.36Å; K616-E619 IonicContact NZ-OE1 2.8Å; K616-E619 PolarHBondContact NZ-OE1 3.26Å; K616-E619 IonicContact NZ-OE2 2.63Å; K616-E619 PolarHBondContact NZ-OE2 3.09Å; K616-E619 WeakPolarHBondContact O-CB 3.25Å; K616-E619 PolarHBondContact O-N 3.17Å; S617-E619 PolarHBondContact O-N 2.89Å; E619-I621 PolarHBondContact O-N 2.98Å; E619-I621 VanDerWaalsContact O-N 3.15Å; E619-N622 CarbonylContact O-C 3.55Å; E619-N622 PolarHBondContact O-N 3.33Å; E619-T623 WeakPolarHBondContact O-CG2 3.4Å; E619-T623 PolarHBondContact O-N 3.16Å; E619-T623 PolarHBondContact O-OG1 3.46Å
620	C	67.3	Low	63	Low	6 Å²	6	65.2 Å²	65.2	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-26.6	176.5	-175.5	0	0	0	0	114.3	I614 K616 S617 T623 W630 C637	I614-C620 HydrophobicContact CG2-CB 3.8Å; I614-C620 VanDerWaalsContact CG2-N 3.29Å; K616-C620 PolarHBondContact O-N 3.24Å; S617-C620 PolarHBondContact O-N 3.28Å; C620-T623 PolarHBondContact O-OG1 3.02Å; C620-W630 HydrophobicContact CB-CB 4.26Å; C620-W630 HydrophobicContact CB-CD2 4.48Å; C620-W630 HydrophobicContact CB-CE3 3.67Å; C620-W630 HydrophobicContact CB-CZ3 4.45Å; C620-W630 PolarHBondContact SG-N 3.28Å; C620-C637 HydrophobicContact CB-CB 3.63Å; C620-C637 WeakPolarHBondContact CB-SG 3.24Å; C620-C637 VanDerWaalsContact SG-CA 3.58Å; C620-C637 WeakPolarHBondContact SG-CB 3.38Å; C620-C637 CovalentContact SG-SG 2.03Å; C620-C637 PolarHBondContact SG-SG 3.19Å
621	I	64.2	Low	63.8	Low	117 Å²	117	64.9 Å²	64.9	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-86.3	-26.3	177	-68.3	167.3	0	0	0	111.8	S617 E619 W630	S617-I621 WeakPolarHBondContact O-CB 3.31Å; S617-I621 WeakPolarHBondContact O-CD1 3.1Å; S617-I621 WeakPolarHBondContact O-CG1 3.47Å; S617-I621 PolarHBondContact O-N 3.11Å; E619-I621 PolarHBondContact O-N 2.98Å; E619-I621 VanDerWaalsContact O-N 3.15Å; I621-W630 HydrophobicContact CD1-CB 4.44Å; I621-W630 HydrophobicContact CG1-CB 4.23Å
622	N	50.5	Low	64.5	Low	130 Å²	130	70.9 Å²	70.9	70%	0.695	37%	0.365	S	S	*	.	H	α-helix	trans	-97.4	-17.7	179.4	-68	-6.3	0	0	0	113.5	S618 E619 N624	S618-N622 WeakPolarHBondContact O-CB 3.48Å; S618-N622 PolarHBondContact O-N 3.02Å; S618-N622 VanDerWaalsContact O-N 3.12Å; S618-N622 PolarHBondContact O-ND2 3Å; S618-N622 PolarHBondContact O-OD1 2.93Å; E619-N622 CarbonylContact O-C 3.55Å; E619-N622 PolarHBondContact O-N 3.33Å; N622-N624 PolarHBondContact O-N 3.47Å
623	T	47.7	Very low	65.1	Low	45 Å²	45	73.2 Å²	73.2	28%	0.276	38%	0.376	S	S	.	.			trans	-64.8	123.2	175.6	42.4	0	0	0	0	110.2	I614 E619 C620 L625	I614-T623 HydrophobicContact CD1-CG2 3.68Å; I614-T623 HydrophobicContact CG1-CG2 4.4Å; E619-T623 WeakPolarHBondContact O-CG2 3.4Å; E619-T623 PolarHBondContact O-N 3.16Å; E619-T623 PolarHBondContact O-OG1 3.46Å; C620-T623 PolarHBondContact O-OG1 3.02Å; T623-L625 PolarHBondContact O-N 3.49Å
624	N	47.6	Very low	65.8	Low	52 Å²	52	74.3 Å²	74.3	28%	0.278	38%	0.378	S	S	.	.			trans	-62.2	-9.8	-178	-119.2	-9	0	0	0	114.3	N622 M626 S683 N684	N622-N624 PolarHBondContact O-N 3.47Å; N624-M626 PolarHBondContact O-N 3.07Å; N624-S683 PolarHBondContact ND2-OG 3.13Å; N624-N684 VanDerWaalsContact CB-ND2 3.34Å; N624-N684 WeakPolarHBondContact CB-ND2 3.22Å; N624-N684 VanDerWaalsContact CG-CG 3.41Å; N624-N684 VanDerWaalsContact CG-ND2 3.32Å; N624-N684 PolarHBondContact ND2-OD1 2.72Å; N624-N684 PolarHBondContact O-ND2 3.41Å
625	L	51.4	Low	66.3	Low	29 Å²	29	79 Å²	79	15%	0.152	40%	0.403	C	S	.	.			trans	-56.2	100.7	174.9	-70.7	166.7	0	0	0	111.5	L610 I614 T623 L627 C628	L610-L625 HydrophobicContact CB-CD1 3.58Å; L610-L625 HydrophobicContact CD1-CD1 4.24Å; L610-L625 HydrophobicContact CD1-CD2 4.3Å; I614-L625 HydrophobicContact CD1-CD1 4.22Å; T623-L625 PolarHBondContact O-N 3.49Å; L625-L627 PolarHBondContact O-N 3.5Å; L625-C628 PolarHBondContact O-N 3.22Å; L625-C628 VanDerWaalsContact O-N 3.1Å
626	M	50.6	Low	66.5	Low	121 Å²	121	79.1 Å²	79.1	60%	0.596	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-24.2	-175.9	-152.5	-166.6	-139.7	0	0	113.9	N624 K640	N624-M626 PolarHBondContact O-N 3.07Å; M626-K640 PolarHBondContact O-NZ 2.93Å
627	L	58.6	Low	66.4	Low	41 Å²	41	73.8 Å²	73.8	22%	0.215	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-19.6	-174.9	-61.7	171.1	0	0	0	115	W564 F607 L625 K640	W564-L627 HydrophobicContact CZ2-CD1 4.17Å; W564-L627 HydrophobicContact CZ2-CG 4.3Å; F607-L627 HydrophobicContact CB-CD1 3.82Å; F607-L627 HydrophobicContact CD1-CD1 3.47Å; F607-L627 VanDerWaalsContact CD1-CD1 3.47Å; F607-L627 HydrophobicContact CD1-CD2 4.39Å; F607-L627 HydrophobicContact CE1-CD1 4.13Å; F607-L627 HydrophobicContact CE1-CD2 4.29Å; F607-L627 HydrophobicContact CG-CD1 3.72Å; F607-L627 HydrophobicContact CZ-CD2 4.48Å; L625-L627 PolarHBondContact O-N 3.5Å; L627-K640 WeakPolarHBondContact O-CB 3.33Å; L627-K640 WeakPolarHBondContact O-CG 3.49Å; L627-K640 PolarHBondContact O-N 3.29Å
628	C	62.7	Low	66.1	Low	9 Å²	9	73.2 Å²	73.2	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	151.2	-171.7	-56.7	0	0	0	0	113.5	C611 L625 K640	C611-C628 WeakPolarHBondContact CA-SG 3.49Å; C611-C628 HydrophobicContact CB-CB 3.9Å; C611-C628 WeakPolarHBondContact CB-SG 3.25Å; C611-C628 WeakPolarHBondContact SG-CA 3.22Å; C611-C628 WeakPolarHBondContact SG-CB 3.35Å; C611-C628 CovalentContact SG-SG 2.05Å; C611-C628 PolarHBondContact SG-SG 3.43Å; L625-C628 PolarHBondContact O-N 3.22Å; L625-C628 VanDerWaalsContact O-N 3.1Å; C628-K640 WeakPolarHBondContact O-CE 3.46Å; C628-K640 PolarHBondContact O-NZ 3.34Å
629	K	70.3	Confident	65.8	Low	99 Å²	99	71.4 Å²	71.4	43%	0.43	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	134	176.2	166.7	168.8	172.3	-92.4	0	109.7	N631 C637 E638 K640	K629-N631 PolarHBondContact O-N 3.48Å; K629-C637 CarbonylContact O-C 3.49Å; K629-E638 HydrophobicContact CB-CG 4.14Å; K629-E638 WeakPolarHBondContact CD-OE1 3.5Å; K629-E638 HydrophobicContact CG-CG 4.27Å; K629-E638 PolarHBondContact N-O 3.25Å; K629-E638 IonicContact NZ-OE1 3.87Å; K629-E638 PolarHBondContact NZ-OE1 3.47Å; K629-E638 WeakPolarHBondContact O-CG 3.42Å; K629-E638 PolarHBondContact O-N 3.46Å; K629-K640 HydrophobicContact CB-CG 3.74Å; K629-K640 HydrophobicContact CD-CG 4.49Å
630	W	75.1	Confident	65.4	Low	35 Å²	35	72.7 Å²	72.7	13%	0.133	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.7	172.6	-173.5	-103	0	0	0	110.8	C620 I621 N632 N635 C637	C620-W630 HydrophobicContact CB-CB 4.26Å; C620-W630 HydrophobicContact CB-CD2 4.48Å; C620-W630 HydrophobicContact CB-CE3 3.67Å; C620-W630 HydrophobicContact CB-CZ3 4.45Å; C620-W630 PolarHBondContact SG-N 3.28Å; I621-W630 HydrophobicContact CD1-CB 4.44Å; I621-W630 HydrophobicContact CG1-CB 4.23Å; W630-N632 PolarHBondContact NE1-OD1 3.46Å; W630-N635 VanDerWaalsContact CH2-O 3.29Å; W630-N635 WeakPolarHBondContact CH2-O 3.08Å; W630-N635 HydrophobicContact CZ2-CB 4.28Å; W630-C637 HydrophobicContact CE3-CB 3.86Å; W630-C637 HydrophobicContact CZ3-CB 4.12Å
631	N	79.2	Confident	64.2	Low	16 Å²	16	79 Å²	79	9%	0.086	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	100.9	176	-168.6	-26.9	0	0	0	111.1	K629 Q633 I634 N635 Q636 E638	K629-N631 PolarHBondContact O-N 3.48Å; N631-Q633 PolarHBondContact O-N 3.48Å; N631-Q633 VanDerWaalsContact O-N 3.09Å; N631-Q633 WeakPolarHBondContact OD1-CB 3.37Å; N631-Q633 PolarHBondContact OD1-N 3.2Å; N631-I634 HydrophobicContact CB-CB 4.45Å; N631-I634 HydrophobicContact CB-CG1 4.45Å; N631-I634 WeakPolarHBondContact ND2-CD1 3.49Å; N631-I634 PolarHBondContact O-N 3.39Å; N631-I634 VanDerWaalsContact O-N 3.14Å; N631-N635 PolarHBondContact O-N 3.1Å; N631-Q636 PolarHBondContact N-O 3.32Å; N631-E638 HydrophobicContact CB-CB 4.36Å; N631-E638 HydrophobicContact CB-CG 3.98Å; N631-E638 PolarHBondContact ND2-OE2 3.42Å
632	N	77.9	Confident	62.7	Low	130 Å²	130	81.6 Å²	81.6	70%	0.695	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.7	176.5	-72.1	-29.1	0	0	0	115.1	W630	W630-N632 PolarHBondContact NE1-OD1 3.46Å
633	Q	76.5	Confident	61.7	Low	179 Å²	179	78.8 Å²	78.8	84%	0.836	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-28.7	177.1	-57.9	-176.8	-57.8	0	0	112.5	N631	N631-Q633 PolarHBondContact O-N 3.48Å; N631-Q633 VanDerWaalsContact O-N 3.09Å; N631-Q633 WeakPolarHBondContact OD1-CB 3.37Å; N631-Q633 PolarHBondContact OD1-N 3.2Å
634	I	77.7	Confident	60.6	Low	95 Å²	95	82.3 Å²	82.3	49%	0.487	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-16.4	-175.5	-46.4	178.6	0	0	0	111.1	N631 Q636	N631-I634 HydrophobicContact CB-CB 4.45Å; N631-I634 HydrophobicContact CB-CG1 4.45Å; N631-I634 WeakPolarHBondContact ND2-CD1 3.49Å; N631-I634 PolarHBondContact O-N 3.39Å; N631-I634 VanDerWaalsContact O-N 3.14Å; I634-Q636 HydrophobicContact CB-CB 4.42Å; I634-Q636 HydrophobicContact CG2-CB 4.13Å; I634-Q636 HydrophobicContact CG2-CG 4.01Å; I634-Q636 VanDerWaalsContact CG2-OE1 3.27Å; I634-Q636 PolarHBondContact O-N 3.23Å
635	N	79.5	Confident	59.6	Low	115 Å²	115	85.3 Å²	85.3	62%	0.615	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	38.5	-169.8	-67.4	-46.1	0	0	0	112.7	W630 N631	W630-N635 VanDerWaalsContact CH2-O 3.29Å; W630-N635 WeakPolarHBondContact CH2-O 3.08Å; W630-N635 HydrophobicContact CZ2-CB 4.28Å; N631-N635 PolarHBondContact O-N 3.1Å
636	Q	77.1	Confident	58.3	Low	125 Å²	125	89.5 Å²	89.5	58%	0.584	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	153	177.9	-70.6	177.6	-16.7	0	0	109.4	N631 I634 E638	N631-Q636 PolarHBondContact N-O 3.32Å; I634-Q636 HydrophobicContact CB-CB 4.42Å; I634-Q636 HydrophobicContact CG2-CB 4.13Å; I634-Q636 HydrophobicContact CG2-CG 4.01Å; I634-Q636 VanDerWaalsContact CG2-OE1 3.27Å; I634-Q636 PolarHBondContact O-N 3.23Å; Q636-E638 PolarHBondContact O-N 3.23Å
637	C	72.5	Confident	57.1	Low	3 Å²	3	90.7 Å²	90.7	2%	0.02	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	100.4	173	-172.6	0	0	0	0	108.6	C611 I614 C620 K629 W630	C611-C637 CarbonylContact C-O 3.48Å; C611-C637 WeakPolarHBondContact CB-O 3.26Å; C611-C637 VanDerWaalsContact O-CB 3.22Å; C611-C637 WeakPolarHBondContact O-CB 3.05Å; I614-C637 HydrophobicContact CB-CB 4.15Å; I614-C637 WeakPolarHBondContact O-CB 3.29Å; C620-C637 HydrophobicContact CB-CB 3.63Å; C620-C637 WeakPolarHBondContact CB-SG 3.24Å; C620-C637 VanDerWaalsContact SG-CA 3.58Å; C620-C637 WeakPolarHBondContact SG-CB 3.38Å; C620-C637 CovalentContact SG-SG 2.03Å; C620-C637 PolarHBondContact SG-SG 3.19Å; K629-C637 CarbonylContact O-C 3.49Å; W630-C637 HydrophobicContact CE3-CB 3.86Å; W630-C637 HydrophobicContact CZ3-CB 4.12Å
638	E	69.1	Low	55.5	Low	46 Å²	46	95 Å²	95	22%	0.215	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	156.2	-179.5	69.9	-178.8	180	0	0	111.6	K629 N631 Q636	K629-E638 HydrophobicContact CB-CG 4.14Å; K629-E638 WeakPolarHBondContact CD-OE1 3.5Å; K629-E638 HydrophobicContact CG-CG 4.27Å; K629-E638 PolarHBondContact N-O 3.25Å; K629-E638 IonicContact NZ-OE1 3.87Å; K629-E638 PolarHBondContact NZ-OE1 3.47Å; K629-E638 WeakPolarHBondContact O-CG 3.42Å; K629-E638 PolarHBondContact O-N 3.46Å; N631-E638 HydrophobicContact CB-CB 4.36Å; N631-E638 HydrophobicContact CB-CG 3.98Å; N631-E638 PolarHBondContact ND2-OE2 3.42Å; Q636-E638 PolarHBondContact O-N 3.23Å
639	I	59.4	Low	53.9	Low	32 Å²	32	98.8 Å²	98.8	16%	0.164	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.4	161.5	-56.6	171.3	0	0	0	108.2	Q609 C611 N641	Q609-I639 HydrophobicContact CB-CD1 4.28Å; Q609-I639 HydrophobicContact CG-CD1 3.92Å; C611-I639 HydrophobicContact CB-CG1 4.12Å; I639-N641 PolarHBondContact O-N 3.11Å
640	K	59.4	Low	51.8	Low	102 Å²	102	101.3 Å²	101.3	44%	0.443	51%	0.511	S	S	.	.			trans	-65.7	79.7	171.1	-73.8	171.9	-174.8	139.7	0	110.8	M626 L627 C628 K629 K642	M626-K640 PolarHBondContact O-NZ 2.93Å; L627-K640 WeakPolarHBondContact O-CB 3.33Å; L627-K640 WeakPolarHBondContact O-CG 3.49Å; L627-K640 PolarHBondContact O-N 3.29Å; C628-K640 WeakPolarHBondContact O-CE 3.46Å; C628-K640 PolarHBondContact O-NZ 3.34Å; K629-K640 HydrophobicContact CB-CG 3.74Å; K629-K640 HydrophobicContact CD-CG 4.49Å; K640-K642 PolarHBondContact O-N 3.23Å
641	N	40.9	Very low	49.4	Very low	138 Å²	138	106.8 Å²	106.8	74%	0.738	54%	0.543	S	S	*	.			trans	-58.4	126.1	174.1	-78.3	-37.9	0	0	0	110.6	I639	I639-N641 PolarHBondContact O-N 3.11Å
642	K	33.8	Very low	46.7	Very low	171 Å²	171	113.6 Å²	113.6	74%	0.743	58%	0.579	S	S	*	*			trans	72.7	113.3	-166.5	-58.5	-174.8	176.6	-177.1	0	116.1	K640 L644	K640-K642 PolarHBondContact O-N 3.23Å; K642-L644 HydrophobicContact CB-CB 4.42Å; K642-L644 HydrophobicContact CB-CD1 4.48Å; K642-L644 HydrophobicContact CB-CG 4.11Å; K642-L644 HydrophobicContact CD-CD1 4.46Å; K642-L644 HydrophobicContact CD-CG 4.35Å; K642-L644 PolarHBondContact O-N 3.37Å
643	L	29.4	Very low	44.3	Very low	71 Å²	71	113.6 Å²	113.6	37%	0.372	58%	0.578	S	S	.	*			trans	-70.7	82.6	153.4	-152.2	162.6	0	0	0	108.1	L645	L643-L645 HydrophobicContact CD2-CB 3.92Å; L643-L645 HydrophobicContact CD2-CD1 3.94Å; L643-L645 HydrophobicContact CD2-CG 4.17Å; L643-L645 PolarHBondContact O-N 2.89Å
644	L	24.5	Very low	41.8	Very low	120 Å²	120	113.1 Å²	113.1	63%	0.628	58%	0.579	S	S	*	*			trans	-77.7	62.1	-169	-122.8	171.3	0	0	0	112.6	K642	K642-L644 HydrophobicContact CB-CB 4.42Å; K642-L644 HydrophobicContact CB-CD1 4.48Å; K642-L644 HydrophobicContact CB-CG 4.11Å; K642-L644 HydrophobicContact CD-CD1 4.46Å; K642-L644 HydrophobicContact CD-CG 4.35Å; K642-L644 PolarHBondContact O-N 3.37Å
645	L	26.1	Very low	39.3	Very low	114 Å²	114	113.1 Å²	113.1	60%	0.597	58%	0.58	S	S	*	*	S	Bend	trans	-123	23.5	-178.2	-77.9	178.7	0	0	0	115.5	K533 L643	K533-L645 PolarHBondContact NZ-O 2.77Å; L643-L645 HydrophobicContact CD2-CB 3.92Å; L643-L645 HydrophobicContact CD2-CD1 3.94Å; L643-L645 HydrophobicContact CD2-CG 4.17Å; L643-L645 PolarHBondContact O-N 2.89Å
646	I	24.7	Very low	36.8	Very low	117 Å²	117	117.3 Å²	117.3	60%	0.6	59%	0.593	S	S	*	*			trans	-154.3	137.6	141.5	-91.8	144.9	0	0	0	106.5	K533	K533-I646 VanDerWaalsContact CE-CD1 3.46Å
647	N	25.5	Very low	34.1	Very low	146 Å²	146	119.2 Å²	119.2	78%	0.781	60%	0.599	S	S	*	*			trans	-140	132.1	149.9	-161	23.3	0	0	0	107.4	N649	N647-N649 PolarHBondContact O-N 2.99Å
648	N	25.3	Very low	31.8	Very low	132 Å²	132	126.5 Å²	126.5	71%	0.706	64%	0.636	S	S	*	*			trans	-79.6	105.7	-168.7	-70.3	-33.5	0	0	0	111.3
649	N	27	Very low	29.7	Very low	89 Å²	89	132.4 Å²	132.4	48%	0.476	66%	0.662	S	S	.	*			trans	-173.5	159.2	139.2	-101.8	-9.5	0	0	0	111.4	N647 E1625 Y1626	N647-N649 PolarHBondContact O-N 2.99Å; N649-E1625 PolarHBondContact ND2-OE2 2.98Å; N649-Y1626 WeakPolarHBondContact OD1-CD2 3.22Å; N649-Y1626 VanDerWaalsContact OD1-CE2 3.26Å; N649-Y1626 WeakPolarHBondContact OD1-CE2 3.42Å
650	N	26.3	Very low	28	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	69%	0.685	S	S	*	*	S	Bend	trans	-78.6	145.6	-177	-72.8	-50.3	0	0	0	112.8
651	N	24.6	Very low	26.4	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	70%	0.702	S	S	*	*			trans	80.8	145.8	178.6	-54.2	-49.7	0	0	0	116.8
652	L	24.3	Very low	25.7	Very low	159 Å²	159	142.3 Å²	142.3	83%	0.832	70%	0.704	S	S	*	*			trans	66.2	126.5	-171.9	-78.9	73.8	0	0	0	114
653	L	26.6	Very low	25.3	Very low	130 Å²	130	141.1 Å²	141.1	68%	0.681	71%	0.706	S	S	*	*			cis	-136.9	98.8	5.2	-100.3	157	0	0	0	111.8	N655	L653-N655 HydrophobicContact CD2-CB 4.03Å; L653-N655 PolarHBondContact O-N 3.17Å
654	I	25	Very low	25.1	Very low	168 Å²	168	144.8 Å²	144.8	86%	0.862	72%	0.721	S	S	*	*			trans	-76.4	93.7	152.4	-60.7	175.3	0	0	0	107
655	N	23.7	Very low	25.2	Very low	96 Å²	96	147 Å²	147	51%	0.513	73%	0.726	S	S	.	*			trans	-160.1	131.5	164.5	-90.2	-54.4	0	0	0	108.1	L653 K657	L653-N655 HydrophobicContact CD2-CB 4.03Å; L653-N655 PolarHBondContact O-N 3.17Å; N655-K657 VanDerWaalsContact C-N 3.32Å; N655-K657 HydrophobicContact CB-CB 4.3Å
656	K	26.9	Very low	25.3	Very low	203 Å²	203	143.9 Å²	143.9	88%	0.883	71%	0.71	S	S	*	*			cis	52.1	35.5	47	-64.7	-169.5	171.8	-177.1	0	114.3
657	K	22	Very low	25.5	Very low	164 Å²	164	142.1 Å²	142.1	71%	0.713	70%	0.699	S	S	*	*			trans	-158.5	48.4	170	-114	151.2	-170.6	174.1	0	117.4	N655	N655-K657 VanDerWaalsContact C-N 3.32Å; N655-K657 HydrophobicContact CB-CB 4.3Å
658	I	23.2	Very low	25.6	Very low	156 Å²	156	141.6 Å²	141.6	80%	0.8	70%	0.695	S	S	*	*	S	Bend	trans	-137.7	114.1	157.2	-57.4	177	0	0	0	106.1
659	F	26	Very low	25.8	Very low	170 Å²	170	138.4 Å²	138.4	75%	0.746	68%	0.677	S	S	*	*	S	Bend	cis	-108.9	138	-4.6	-73	-105.6	0	0	0	111
660	F	23.7	Very low	25.8	Very low	152 Å²	152	138 Å²	138	67%	0.667	68%	0.675	S	S	*	*			trans	-148	69.4	155.2	-107.5	-69.4	0	0	0	107.7
661	D	25	Very low	25.9	Very low	146 Å²	146	135 Å²	135	78%	0.781	66%	0.658	S	S	*	*			trans	-80.6	139.1	158.4	-164.5	-3.4	0	0	0	108.2	N663	D661-N663 PolarHBondContact O-N 2.94Å
662	K	25.3	Very low	26	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.796	64%	0.641	S	S	*	*	S	Bend	trans	-95	72.6	-170.3	-73.9	-173.7	172.6	-173.9	0	111.1
663	N	25.7	Very low	26.3	Very low	146 Å²	146	128.2 Å²	128.2	78%	0.781	62%	0.623	S	S	*	*			trans	-167	141.9	152.1	-101.5	-46.3	0	0	0	114.6	D661	D661-N663 PolarHBondContact O-N 2.94Å
664	Q	25.5	Very low	26.5	Very low	148 Å²	148	126 Å²	126	69%	0.692	61%	0.611	S	S	*	*			trans	98.1	-155	172.7	-50.4	-158.1	73.2	0	0	118.8	L1396 H1397	Q664-L1396 CarbonylContact C-O 3.51Å; Q664-L1396 WeakPolarHBondContact O-CB 3.47Å; Q664-H1397 CarbonylContact C-O 3.54Å; Q664-H1397 WeakPolarHBondContact CB-O 3.46Å
665	K	27	Very low	26.6	Very low	166 Å²	166	122.8 Å²	122.8	72%	0.722	60%	0.595	S	S	*	*				-143.4	-1.4	-128.8	-126.9	176.3	-177.6	177.7	0	120.4	L1396 H1397	K665-L1396 VanDerWaalsContact C-CB 3.41Å; K665-L1396 VanDerWaalsContact CA-CB 3.47Å; K665-H1397 PolarHBondContact N-O 3.47Å
666	N	28.9	Very low	26.9	Very low	48 Å²	48	121.2 Å²	121.2	26%	0.257	59%	0.589	S	S	.	*			trans	-135.4	107.5	-160.5	5.8	67.6	0	0	0	109.9	L1396 H1397 P1398 N1399	N666-L1396 VanDerWaalsContact C-CD2 3.47Å; N666-H1397 VanDerWaalsContact C-N 3.31Å; N666-H1397 VanDerWaalsContact CB-C 3.47Å; N666-H1397 VanDerWaalsContact N-CA 3.31Å; N666-H1397 PolarHBondContact N-O 3.28Å; N666-H1397 CarbonylContact O-C 3.58Å; N666-H1397 VanDerWaalsContact O-CA 3.23Å; N666-H1397 WeakPolarHBondContact O-CA 3.42Å; N666-H1397 PolarHBondContact O-CD2 3.04Å; N666-H1397 PolarHBondContact O-CE1 2.84Å; N666-H1397 VanDerWaalsContact O-CE1 3.26Å; N666-H1397 PolarHBondContact O-N 3.21Å; N666-H1397 PolarHBondContact O-ND1 3.5Å; N666-H1397 VanDerWaalsContact O-ND1 3.11Å; N666-H1397 PolarHBondContact O-NE2 3.36Å; N666-H1397 VanDerWaalsContact OD1-C 3.22Å; N666-H1397 PolarHBondContact OD1-O 2.84Å; N666-P1398 HydrophobicContact CB-CB 2.31Å; N666-P1398 HydrophobicContact CB-CG 2.3Å; N666-P1398 WeakPolarHBondContact ND2-CB 3.3Å; N666-P1398 WeakPolarHBondContact ND2-CD 3.41Å; N666-P1398 WeakPolarHBondContact ND2-CG 3.41Å; N666-P1398 WeakPolarHBondContact O-CA 3.21Å; N666-P1398 WeakPolarHBondContact OD1-CA 3.25Å; N666-P1398 VanDerWaalsContact OD1-CB 3.22Å; N666-P1398 WeakPolarHBondContact OD1-CB 3.31Å; N666-P1398 WeakPolarHBondContact OD1-CD 3.45Å; N666-P1398 PolarHBondContact OD1-O 3.05Å; N666-N1399 WeakPolarHBondContact ND2-CB 3.42Å; N666-N1399 WeakPolarHBondContact OD1-CB 3.48Å; N666-N1399 PolarHBondContact OD1-N 2.87Å
667	Q	27.2	Very low	26.9	Very low	80 Å²	80	118.5 Å²	118.5	37%	0.374	58%	0.577	S	S	.	*			trans	-114.4	-8.4	178.6	-100.6	162	-9.9	0	0	114.8	L669 L670 N1395 L1396	Q667-L669 VanDerWaalsContact C-N 3.32Å; Q667-L669 PolarHBondContact O-N 2.79Å; Q667-L670 PolarHBondContact O-N 2.85Å; Q667-N1395 PolarHBondContact OE1-OD1 2.82Å; Q667-L1396 HydrophobicContact CB-CD2 3.51Å; Q667-L1396 HydrophobicContact CG-CD2 3.88Å
668	I	28.2	Very low	27.2	Very low	136 Å²	136	117.6 Å²	117.6	70%	0.697	57%	0.573	S	S	*	*	H	α-helix	trans	-75.7	-23.9	-174.6	-63.2	165.8	0	0	0	111.3	N672	I668-N672 WeakPolarHBondContact O-CB 3.09Å; I668-N672 PolarHBondContact O-N 3.37Å
669	L	28.8	Very low	27.2	Very low	64 Å²	64	114.4 Å²	114.4	34%	0.335	57%	0.565	S	S	.	*	H	α-helix	trans	-78.1	-24.7	176	-113.3	84.9	0	0	0	114.4	Q667 N673	Q667-L669 VanDerWaalsContact C-N 3.32Å; Q667-L669 PolarHBondContact O-N 2.79Å; L669-N673 WeakPolarHBondContact O-CB 3.45Å; L669-N673 PolarHBondContact O-N 3.32Å; L669-N673 PolarHBondContact O-ND2 2.83Å
670	L	28.4	Very low	27.2	Very low	82 Å²	82	110.3 Å²	110.3	43%	0.429	55%	0.554	S	S	.	*	H	α-helix	trans	-73.3	-43.6	179	-137.2	78.4	0	0	0	110.8	Q667 N673 I674 H1397	Q667-L670 PolarHBondContact O-N 2.85Å; L670-N673 PolarHBondContact O-N 2.86Å; L670-I674 WeakPolarHBondContact O-CB 3.41Å; L670-I674 WeakPolarHBondContact O-CD1 3.23Å; L670-I674 VanDerWaalsContact O-CG1 3.25Å; L670-I674 WeakPolarHBondContact O-CG1 3.48Å; L670-I674 PolarHBondContact O-N 3.45Å; L670-H1397 VanDerWaalsContact CD1-CE1 3.46Å; L670-H1397 WeakPolarHBondContact CD1-CE1 3.42Å
671	L	27.2	Very low	27.3	Very low	88 Å²	88	109.1 Å²	109.1	46%	0.461	56%	0.564	S	S	.	*	H	α-helix	trans	-66	-41.3	176.8	-145.7	76.6	0	0	0	111.3	I674 L675 W705	L671-I674 PolarHBondContact O-N 3.08Å; L671-L675 WeakPolarHBondContact O-CB 3.28Å; L671-L675 WeakPolarHBondContact O-CG 3.37Å; L671-L675 PolarHBondContact O-N 2.95Å; L671-W705 HydrophobicContact CD2-CH2 4.33Å; L671-W705 HydrophobicContact CD2-CZ2 4.14Å
672	N	28.2	Very low	27.4	Very low	84 Å²	84	105.3 Å²	105.3	45%	0.449	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-38.4	174	-77.4	1.2	0	0	0	112.6	I668 I674 L675 T676	I668-N672 WeakPolarHBondContact O-CB 3.09Å; I668-N672 PolarHBondContact O-N 3.37Å; N672-I674 VanDerWaalsContact C-N 3.3Å; N672-I674 PolarHBondContact O-N 3.28Å; N672-L675 PolarHBondContact O-N 3.13Å; N672-T676 WeakPolarHBondContact O-CG2 3.34Å; N672-T676 PolarHBondContact O-N 3.46Å; N672-T676 PolarHBondContact O-OG1 2.81Å
673	N	29.6	Very low	27.6	Very low	83 Å²	83	98.1 Å²	98.1	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-69.7	-26.5	175.3	-76.3	-7.6	0	0	0	113.1	L669 L670 T676 K677	L669-N673 WeakPolarHBondContact O-CB 3.45Å; L669-N673 PolarHBondContact O-N 3.32Å; L669-N673 PolarHBondContact O-ND2 2.83Å; L670-N673 PolarHBondContact O-N 2.86Å; N673-T676 WeakPolarHBondContact CA-OG1 3.24Å; N673-K677 VanDerWaalsContact O-CB 3.28Å; N673-K677 WeakPolarHBondContact O-CB 3.21Å; N673-K677 VanDerWaalsContact O-CG 3.26Å; N673-K677 WeakPolarHBondContact O-CG 3.44Å; N673-K677 PolarHBondContact O-N 2.93Å
674	I	30.4	Very low	27.8	Very low	84 Å²	84	94 Å²	94	43%	0.431	50%	0.495	S	S	.	.	H	α-helix	trans	-70.7	-49.6	169.2	-71.1	163.4	0	0	0	109.1	L670 L671 N672 T676 K677 F678	L670-I674 WeakPolarHBondContact O-CB 3.41Å; L670-I674 WeakPolarHBondContact O-CD1 3.23Å; L670-I674 VanDerWaalsContact O-CG1 3.25Å; L670-I674 WeakPolarHBondContact O-CG1 3.48Å; L670-I674 PolarHBondContact O-N 3.45Å; L671-I674 PolarHBondContact O-N 3.08Å; N672-I674 VanDerWaalsContact C-N 3.3Å; N672-I674 PolarHBondContact O-N 3.28Å; I674-T676 PolarHBondContact O-N 2.92Å; I674-K677 PolarHBondContact O-N 3.1Å; I674-F678 HydrophobicContact CG2-CD2 3.86Å; I674-F678 HydrophobicContact CG2-CE2 3.82Å; I674-F678 WeakPolarHBondContact O-CD2 3.45Å; I674-F678 PolarHBondContact O-N 2.64Å
675	L	28.8	Very low	28.1	Very low	100 Å²	100	92 Å²	92	52%	0.524	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-36.1	-179.5	-74.1	164.8	0	0	0	113.4	L671 N672 F678 S679	L671-L675 WeakPolarHBondContact O-CB 3.28Å; L671-L675 WeakPolarHBondContact O-CG 3.37Å; L671-L675 PolarHBondContact O-N 2.95Å; N672-L675 PolarHBondContact O-N 3.13Å; L675-F678 CarbonylContact O-C 3.48Å; L675-F678 PolarHBondContact O-N 3.48Å; L675-S679 WeakPolarHBondContact O-CB 3.39Å; L675-S679 PolarHBondContact O-N 3.17Å
676	T	28	Very low	28.3	Very low	63 Å²	63	85.7 Å²	85.7	39%	0.387	46%	0.461	S	S	.	.	H	α-helix	trans	-73.9	-36.3	174.5	56.2	0	0	0	0	112.2	N672 N673 I674 F678 S679 T680	N672-T676 WeakPolarHBondContact O-CG2 3.34Å; N672-T676 PolarHBondContact O-N 3.46Å; N672-T676 PolarHBondContact O-OG1 2.81Å; N673-T676 WeakPolarHBondContact CA-OG1 3.24Å; I674-T676 PolarHBondContact O-N 2.92Å; T676-F678 PolarHBondContact O-N 2.8Å; T676-S679 WeakPolarHBondContact CA-OG 3.43Å; T676-S679 CarbonylContact O-C 3.54Å; T676-S679 PolarHBondContact O-N 3.05Å; T676-T680 PolarHBondContact O-N 2.98Å; T676-T680 PolarHBondContact O-OG1 3.44Å
677	K	27.5	Very low	28.5	Very low	146 Å²	146	88.1 Å²	88.1	64%	0.635	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-15.6	168	-77.8	-172.1	172.9	-160.3	0	114.1	N673 I674 N682	N673-K677 VanDerWaalsContact O-CB 3.28Å; N673-K677 WeakPolarHBondContact O-CB 3.21Å; N673-K677 VanDerWaalsContact O-CG 3.26Å; N673-K677 WeakPolarHBondContact O-CG 3.44Å; N673-K677 PolarHBondContact O-N 2.93Å; I674-K677 PolarHBondContact O-N 3.1Å; K677-N682 PolarHBondContact O-ND2 2.92Å
678	F	27.8	Very low	28.6	Very low	144 Å²	144	89.9 Å²	89.9	63%	0.632	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9	167.8	-80	-61.3	0	0	0	114.1	I674 L675 T676	I674-F678 HydrophobicContact CG2-CD2 3.86Å; I674-F678 HydrophobicContact CG2-CE2 3.82Å; I674-F678 WeakPolarHBondContact O-CD2 3.45Å; I674-F678 PolarHBondContact O-N 2.64Å; L675-F678 CarbonylContact O-C 3.48Å; L675-F678 PolarHBondContact O-N 3.48Å; T676-F678 PolarHBondContact O-N 2.8Å
679	S	24.4	Very low	28.9	Very low	89 Å²	89	86.3 Å²	86.3	62%	0.622	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-3.7	-176.7	85.1	0	0	0	0	115.1	L675 T676	L675-S679 WeakPolarHBondContact O-CB 3.39Å; L675-S679 PolarHBondContact O-N 3.17Å; T676-S679 WeakPolarHBondContact CA-OG 3.43Å; T676-S679 CarbonylContact O-C 3.54Å; T676-S679 PolarHBondContact O-N 3.05Å
680	T	25	Very low	28.9	Very low	85 Å²	85	88 Å²	88	52%	0.521	47%	0.466	S	S	.	.	S	Bend	trans	-137.3	125.6	174.4	56.2	0	0	0	0	111.7	T676 N682	T676-T680 PolarHBondContact O-N 2.98Å; T676-T680 PolarHBondContact O-OG1 3.44Å; T680-N682 PolarHBondContact O-N 2.86Å
681	S	26.6	Very low	29.1	Very low	126 Å²	126	88.7 Å²	88.7	88%	0.881	47%	0.471	S	S	*	.	S	Bend	trans	44.2	70.1	157.3	62.3	0	0	0	0	116.3
682	N	27.2	Very low	29.5	Very low	66 Å²	66	86.7 Å²	86.7	35%	0.353	46%	0.458	S	S	.	.			trans	-150.7	67.1	178.8	-157.8	2.9	0	0	0	111.1	K677 T680 N684	K677-N682 PolarHBondContact O-ND2 2.92Å; T680-N682 PolarHBondContact O-N 2.86Å; N682-N684 PolarHBondContact O-N 2.83Å
683	S	28.6	Very low	29.7	Very low	33 Å²	33	86.9 Å²	86.9	23%	0.231	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.5	-173.9	50.5	0	0	0	0	114.5	N624 F685	N624-S683 PolarHBondContact ND2-OG 3.13Å; S683-F685 PolarHBondContact O-N 2.87Å
684	N	29.7	Very low	29.9	Very low	60 Å²	60	89 Å²	89	32%	0.321	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	20.8	-168.4	-65.5	15.4	0	0	0	113.4	N624 N682	N624-N684 VanDerWaalsContact CB-ND2 3.34Å; N624-N684 WeakPolarHBondContact CB-ND2 3.22Å; N624-N684 VanDerWaalsContact CG-CG 3.41Å; N624-N684 VanDerWaalsContact CG-ND2 3.32Å; N624-N684 PolarHBondContact ND2-OD1 2.72Å; N624-N684 PolarHBondContact O-ND2 3.41Å; N682-N684 PolarHBondContact O-N 2.83Å
685	F	31.7	Very low	30.1	Very low	105 Å²	105	93.5 Å²	93.5	46%	0.461	48%	0.481	S	S	.	.	S	Bend	trans	-89.2	114.4	160.8	-103	-89.7	0	0	0	110.1	S683 L687	S683-F685 PolarHBondContact O-N 2.87Å; F685-L687 WeakPolarHBondContact O-CD1 3.41Å; F685-L687 PolarHBondContact O-N 3Å
686	C	31.4	Very low	30.5	Very low	34 Å²	34	97.4 Å²	97.4	23%	0.23	49%	0.49	C	S	.	.			trans	-54.3	109.8	157.6	-59.5	0	0	0	0	107.9	C562 F688	C562-C686 HydrophobicContact CB-CB 4.41Å; C562-C686 WeakPolarHBondContact CB-SG 3.28Å; C562-C686 WeakPolarHBondContact SG-CB 3.41Å; C562-C686 CovalentContact SG-SG 2.03Å; C562-C686 PolarHBondContact SG-SG 2.88Å; C686-F688 PolarHBondContact O-N 3.42Å
687	L	33.1	Very low	30.8	Very low	98 Å²	98	98.3 Å²	98.3	51%	0.513	49%	0.491	S	S	.	.			trans	-78.6	92.9	-175.9	-80.6	113.8	0	0	0	110.5	I49 F685 D689	I49-L687 HydrophobicContact CD1-CD2 4.26Å; I49-L687 HydrophobicContact CG2-CD1 3.62Å; I49-L687 HydrophobicContact CG2-CD2 3.78Å; I49-L687 HydrophobicContact CG2-CG 4.25Å; F685-L687 WeakPolarHBondContact O-CD1 3.41Å; F685-L687 PolarHBondContact O-N 3Å; L687-D689 PolarHBondContact O-N 3.04Å
688	F	31	Very low	31.2	Very low	117 Å²	117	96.2 Å²	96.2	51%	0.513	49%	0.487	S	S	.	.			trans	-34.3	124.5	159	-76.4	-86.9	0	0	0	110.2	L553 C686 K690	L553-F688 HydrophobicContact CD1-CD1 4.5Å; L553-F688 HydrophobicContact CD1-CE1 4.42Å; L553-F688 HydrophobicContact CD2-CE1 4.04Å; C686-F688 PolarHBondContact O-N 3.42Å; F688-K690 PolarHBondContact O-N 2.9Å
689	D	33.2	Very low	31.5	Very low	62 Å²	62	95 Å²	95	33%	0.332	49%	0.487	S	S	.	.			trans	-47	121.5	-179.7	165.4	35.4	0	0	0	110.8	L687 N691 K692 L693	L687-D689 PolarHBondContact O-N 3.04Å; D689-N691 PolarHBondContact O-N 2.8Å; D689-N691 PolarHBondContact OD1-N 2.91Å; D689-N691 PolarHBondContact OD1-ND2 3.14Å; D689-N691 WeakPolarHBondContact OD2-CB 3.28Å; D689-K692 HydrophobicContact CB-CB 4.23Å; D689-K692 HydrophobicContact CB-CG 4.16Å; D689-K692 WeakPolarHBondContact O-CA 3.32Å; D689-K692 PolarHBondContact O-N 3.37Å; D689-K692 PolarHBondContact OD2-N 3.45Å; D689-L693 PolarHBondContact O-N 2.86Å
690	K	29.7	Very low	32.3	Very low	98 Å²	98	96.5 Å²	96.5	43%	0.426	49%	0.488	S	S	.	.	H	α-helix	trans	-53.6	-27.1	-179.1	-154.7	-177	-173.6	-168.7	0	111.2	E42 F688 K694	E42-K690 IonicContact OE1-NZ 2.66Å; E42-K690 PolarHBondContact OE1-NZ 2.85Å; F688-K690 PolarHBondContact O-N 2.9Å; K690-K694 WeakPolarHBondContact O-CB 3.29Å; K690-K694 PolarHBondContact O-N 3.45Å
691	N	32.7	Very low	33	Very low	98 Å²	98	97.7 Å²	97.7	52%	0.524	49%	0.491	S	S	.	.	H	α-helix	trans	-78.9	-44.2	174.9	-46.3	-74.5	0	0	0	112.9	D689 L693 K694 K695	D689-N691 PolarHBondContact O-N 2.8Å; D689-N691 PolarHBondContact OD1-N 2.91Å; D689-N691 PolarHBondContact OD1-ND2 3.14Å; D689-N691 WeakPolarHBondContact OD2-CB 3.28Å; N691-L693 VanDerWaalsContact C-N 3.27Å; N691-L693 PolarHBondContact O-N 3.44Å; N691-K694 CarbonylContact O-C 3.44Å; N691-K694 PolarHBondContact O-N 2.8Å; N691-K695 WeakPolarHBondContact O-CB 3.39Å; N691-K695 PolarHBondContact O-N 2.92Å
692	K	35.3	Very low	33.8	Very low	46 Å²	46	96.4 Å²	96.4	20%	0.2	47%	0.473	C	S	.	.	H	α-helix	trans	-53.9	-44.5	167.6	-72.7	-170.3	-174.6	-175.3	0	111	D556 T558 D689 K695 Y696	D556-K692 VanDerWaalsContact CG-NZ 3.27Å; D556-K692 WeakPolarHBondContact OD2-CE 3.14Å; D556-K692 IonicContact OD2-NZ 2.84Å; D556-K692 PolarHBondContact OD2-NZ 3.3Å; T558-K692 PolarHBondContact OG1-NZ 2.86Å; D689-K692 HydrophobicContact CB-CB 4.23Å; D689-K692 HydrophobicContact CB-CG 4.16Å; D689-K692 WeakPolarHBondContact O-CA 3.32Å; D689-K692 PolarHBondContact O-N 3.37Å; D689-K692 PolarHBondContact OD2-N 3.45Å; K692-K695 WeakPolarHBondContact O-CB 3.19Å; K692-K695 PolarHBondContact O-N 3.08Å; K692-K695 VanDerWaalsContact O-N 3.17Å; K692-Y696 PolarHBondContact O-N 2.8Å; K692-Y696 VanDerWaalsContact O-N 3.09Å
693	L	32.3	Very low	34.6	Very low	87 Å²	87	97.1 Å²	97.1	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-44.4	177	-161.9	76.6	0	0	0	112.2	D689 N691 K695 Y696 I697	D689-L693 PolarHBondContact O-N 2.86Å; N691-L693 VanDerWaalsContact C-N 3.27Å; N691-L693 PolarHBondContact O-N 3.44Å; L693-K695 PolarHBondContact O-N 2.92Å; L693-Y696 PolarHBondContact O-N 3.37Å; L693-Y696 VanDerWaalsContact O-N 3.11Å; L693-I697 HydrophobicContact CD2-CD1 4.25Å; L693-I697 HydrophobicContact CG-CD1 4Å; L693-I697 WeakPolarHBondContact O-CG1 3.47Å; L693-I697 PolarHBondContact O-N 2.87Å
694	K	33.1	Very low	35.3	Very low	128 Å²	128	103.1 Å²	103.1	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-66	-18	175.7	-161	172.7	-169.1	174.8	0	113.3	K690 N691	K690-K694 WeakPolarHBondContact O-CB 3.29Å; K690-K694 PolarHBondContact O-N 3.45Å; N691-K694 CarbonylContact O-C 3.44Å; N691-K694 PolarHBondContact O-N 2.8Å
695	K	35.2	Very low	35.6	Very low	179 Å²	179	107.4 Å²	107.4	78%	0.778	51%	0.507	S	S	*	.	H	α-helix	trans	-86	-28.2	172.9	-162.9	179.7	-177.7	-174.2	0	112.5	N691 K692 L693	N691-K695 WeakPolarHBondContact O-CB 3.39Å; N691-K695 PolarHBondContact O-N 2.92Å; K692-K695 WeakPolarHBondContact O-CB 3.19Å; K692-K695 PolarHBondContact O-N 3.08Å; K692-K695 VanDerWaalsContact O-N 3.17Å; L693-K695 PolarHBondContact O-N 2.92Å
696	Y	36.3	Very low	35.9	Very low	182 Å²	182	109.6 Å²	109.6	71%	0.714	51%	0.513	S	S	*	.	H	α-helix	trans	-83	-31.8	172.3	-94.8	-87	0	0	0	113.4	K692 L693 N698	K692-Y696 PolarHBondContact O-N 2.8Å; K692-Y696 VanDerWaalsContact O-N 3.09Å; L693-Y696 PolarHBondContact O-N 3.37Å; L693-Y696 VanDerWaalsContact O-N 3.11Å; Y696-N698 PolarHBondContact O-N 3.18Å
697	I	34.3	Very low	36.6	Very low	81 Å²	81	114.5 Å²	114.5	42%	0.415	53%	0.53	S	S	.	.	S	Bend	trans	-76.1	91.7	173.7	-63.3	167.9	0	0	0	108.4	L693 N699	L693-I697 HydrophobicContact CD2-CD1 4.25Å; L693-I697 HydrophobicContact CG-CD1 4Å; L693-I697 WeakPolarHBondContact O-CG1 3.47Å; L693-I697 PolarHBondContact O-N 2.87Å; I697-N699 PolarHBondContact O-N 2.89Å
698	N	36	Very low	37.1	Very low	103 Å²	103	114 Å²	114	55%	0.551	53%	0.528	S	S	*	.			trans	-56.1	125.1	-174.6	-169.2	-1.4	0	0	0	112.3	Y696 N700 L701	Y696-N698 PolarHBondContact O-N 3.18Å; N698-N700 PolarHBondContact O-N 3.41Å; N698-L701 WeakPolarHBondContact O-CB 3.41Å; N698-L701 PolarHBondContact O-N 2.03Å
699	N	34.9	Very low	37.3	Very low	119 Å²	119	112.2 Å²	112.2	64%	0.636	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-34.5	-171.6	-75.5	-36.3	0	0	0	114.2	I697 L701 I702 D703	I697-N699 PolarHBondContact O-N 2.89Å; N699-L701 PolarHBondContact O-N 3.34Å; N699-L701 VanDerWaalsContact O-N 3.13Å; N699-I702 PolarHBondContact O-N 2.9Å; N699-I702 VanDerWaalsContact O-N 3.16Å; N699-D703 PolarHBondContact O-N 3.49Å
700	N	40.3	Very low	37.6	Very low	120 Å²	120	114 Å²	114	64%	0.642	53%	0.53	S	S	*	.	H	α-helix	trans	-56.6	-29.1	178.8	-63.3	0.8	0	0	0	113	N698 Y704	N698-N700 PolarHBondContact O-N 3.41Å; N700-Y704 WeakPolarHBondContact O-CB 3.25Å; N700-Y704 PolarHBondContact O-N 3.05Å
701	L	40.9	Very low	38.4	Very low	110 Å²	110	111 Å²	111	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-74	-29.6	-176.4	-152.9	144.9	0	0	0	111.9	N698 N699 W705	N698-L701 WeakPolarHBondContact O-CB 3.41Å; N698-L701 PolarHBondContact O-N 2.03Å; N699-L701 PolarHBondContact O-N 3.34Å; N699-L701 VanDerWaalsContact O-N 3.13Å; L701-W705 PolarHBondContact O-N 2.89Å
702	I	42.7	Very low	38.9	Very low	98 Å²	98	112.1 Å²	112.1	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-75.7	-43	174.4	-59.7	173.7	0	0	0	110.2	N699 W705 W706	N699-I702 PolarHBondContact O-N 2.9Å; N699-I702 VanDerWaalsContact O-N 3.16Å; I702-W705 WeakPolarHBondContact O-CB 3.4Å; I702-W705 PolarHBondContact O-N 3Å; I702-W706 PolarHBondContact O-N 2.96Å
703	D	43.8	Very low	39	Very low	82 Å²	82	114.7 Å²	114.7	44%	0.439	54%	0.544	S	S	.	.	H	α-helix	trans	-69.5	-34.3	-178.3	-161.7	61	0	0	0	112.6	N699 W706 K707	N699-D703 PolarHBondContact O-N 3.49Å; D703-W706 PolarHBondContact O-N 2.85Å; D703-K707 PolarHBondContact O-N 2.8Å; D703-K707 WeakPolarHBondContact OD2-CE 3.45Å; D703-K707 IonicContact OD2-NZ 3.19Å; D703-K707 PolarHBondContact OD2-NZ 3.14Å
704	Y	43	Very low	39.4	Very low	159 Å²	159	118.6 Å²	118.6	62%	0.624	55%	0.553	S	S	*	*	H	α-helix	trans	-62.2	-43.5	171	-176.2	-94.8	0	0	0	112.4	N700 W706 K707 N708	N700-Y704 WeakPolarHBondContact O-CB 3.25Å; N700-Y704 PolarHBondContact O-N 3.05Å; Y704-W706 PolarHBondContact O-N 3.02Å; Y704-K707 PolarHBondContact O-N 3.17Å; Y704-N708 WeakPolarHBondContact CE1-ND2 3.37Å; Y704-N708 VanDerWaalsContact CZ-ND2 3.26Å; Y704-N708 PolarHBondContact O-N 3.39Å; Y704-N708 PolarHBondContact OH-ND2 3.44Å
705	W	36.8	Very low	40	Very low	149 Å²	149	118.2 Å²	118.2	56%	0.564	55%	0.553	S	S	*	*	H	α-helix	trans	-59.5	-44.4	175.5	-100.9	78.8	0	0	0	112.1	L671 L701 I702 N708 L709	L671-W705 HydrophobicContact CD2-CH2 4.33Å; L671-W705 HydrophobicContact CD2-CZ2 4.14Å; L701-W705 PolarHBondContact O-N 2.89Å; I702-W705 WeakPolarHBondContact O-CB 3.4Å; I702-W705 PolarHBondContact O-N 3Å; W705-N708 PolarHBondContact O-N 3.24Å; W705-L709 HydrophobicContact CE3-CD1 4.26Å; W705-L709 HydrophobicContact CZ3-CD1 4.45Å; W705-L709 PolarHBondContact O-N 3.14Å; W705-L709 VanDerWaalsContact O-N 3.07Å
706	W	38.8	Very low	40.2	Very low	151 Å²	151	116 Å²	116	57%	0.572	55%	0.545	S	S	*	.	H	α-helix	trans	-66.3	-41.8	-177.6	-127.8	155	0	0	0	112.4	I702 D703 Y704 L709 Q710	I702-W706 PolarHBondContact O-N 2.96Å; D703-W706 PolarHBondContact O-N 2.85Å; Y704-W706 PolarHBondContact O-N 3.02Å; W706-L709 HydrophobicContact CE3-CB 3.97Å; W706-L709 HydrophobicContact CE3-CD2 4.24Å; W706-L709 HydrophobicContact CZ3-CB 4.2Å; W706-L709 HydrophobicContact CZ3-CD2 3.81Å; W706-L709 PolarHBondContact O-N 3.08Å; W706-Q710 HydrophobicContact CE3-CG 4.24Å; W706-Q710 HydrophobicContact CZ3-CG 4.37Å; W706-Q710 PolarHBondContact O-N 3.31Å
707	K	44.8	Very low	40.3	Very low	138 Å²	138	115.3 Å²	115.3	60%	0.6	55%	0.549	S	S	*	.	H	α-helix	trans	-63.7	-43.3	178.4	-77.3	164.4	177.8	157.8	0	112.2	D703 Y704 Q710 G711	D703-K707 PolarHBondContact O-N 2.8Å; D703-K707 WeakPolarHBondContact OD2-CE 3.45Å; D703-K707 IonicContact OD2-NZ 3.19Å; D703-K707 PolarHBondContact OD2-NZ 3.14Å; Y704-K707 PolarHBondContact O-N 3.17Å; K707-Q710 PolarHBondContact O-N 3.26Å; K707-G711 PolarHBondContact O-N 3.3Å
708	N	43.5	Very low	40.6	Very low	88 Å²	88	119.4 Å²	119.4	47%	0.471	57%	0.566	S	S	.	*	H	α-helix	trans	-68.2	-36	177.4	-83	-25.9	0	0	0	113.1	Y704 W705 Q710 G711 H712	Y704-N708 WeakPolarHBondContact CE1-ND2 3.37Å; Y704-N708 VanDerWaalsContact CZ-ND2 3.26Å; Y704-N708 PolarHBondContact O-N 3.39Å; Y704-N708 PolarHBondContact OH-ND2 3.44Å; W705-N708 PolarHBondContact O-N 3.24Å; N708-Q710 VanDerWaalsContact C-N 3.35Å; N708-Q710 PolarHBondContact O-N 3.22Å; N708-G711 PolarHBondContact O-N 3.24Å; N708-H712 PolarHBondContact O-N 2.69Å; N708-H712 VanDerWaalsContact O-N 3.1Å
709	L	36.4	Very low	40.8	Very low	78 Å²	78	122.4 Å²	122.4	41%	0.408	58%	0.577	S	S	.	*	H	α-helix	trans	-59.5	-44.6	175.9	-131.4	87.5	0	0	0	111.9	W705 W706 G711 H712 L713	W705-L709 HydrophobicContact CE3-CD1 4.26Å; W705-L709 HydrophobicContact CZ3-CD1 4.45Å; W705-L709 PolarHBondContact O-N 3.14Å; W705-L709 VanDerWaalsContact O-N 3.07Å; W706-L709 HydrophobicContact CE3-CB 3.97Å; W706-L709 HydrophobicContact CE3-CD2 4.24Å; W706-L709 HydrophobicContact CZ3-CB 4.2Å; W706-L709 HydrophobicContact CZ3-CD2 3.81Å; W706-L709 PolarHBondContact O-N 3.08Å; L709-G711 VanDerWaalsContact C-N 3.33Å; L709-G711 PolarHBondContact O-N 2.76Å; L709-H712 PolarHBondContact O-N 2.68Å; L709-L713 WeakPolarHBondContact O-CG 3.17Å; L709-L713 PolarHBondContact O-N 2.92Å
710	Q	39.1	Very low	40.7	Very low	100 Å²	100	125.3 Å²	125.3	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-69	-29.6	178.6	-67.6	-165	10.4	0	0	113.3	W706 K707 N708 R714	W706-Q710 HydrophobicContact CE3-CG 4.24Å; W706-Q710 HydrophobicContact CZ3-CG 4.37Å; W706-Q710 PolarHBondContact O-N 3.31Å; K707-Q710 PolarHBondContact O-N 3.26Å; N708-Q710 VanDerWaalsContact C-N 3.35Å; N708-Q710 PolarHBondContact O-N 3.22Å; Q710-R714 WeakPolarHBondContact O-CG 3.48Å
711	G	45.6	Very low	40.4	Very low	36 Å²	36	128.3 Å²	128.3	37%	0.371	60%	0.596	S	S	.	*	H	α-helix	trans	-66.3	-49.3	173.5	0	0	0	0	0	112.2	K707 N708 L709 L713 R714 Q715	K707-G711 PolarHBondContact O-N 3.3Å; N708-G711 PolarHBondContact O-N 3.24Å; L709-G711 VanDerWaalsContact C-N 3.33Å; L709-G711 PolarHBondContact O-N 2.76Å; G711-L713 PolarHBondContact O-N 2.88Å; G711-R714 PolarHBondContact O-N 2.75Å; G711-Q715 PolarHBondContact O-N 3.15Å
712	H	43.9	Very low	40.2	Very low	120 Å²	120	131.2 Å²	131.2	56%	0.556	61%	0.606	S	S	*	*	H	α-helix	trans	-65.9	-38.7	-176.7	-129.9	45.5	0	0	0	112.7	N708 L709 R714 Q715 Q716	N708-H712 PolarHBondContact O-N 2.69Å; N708-H712 VanDerWaalsContact O-N 3.1Å; L709-H712 PolarHBondContact O-N 2.68Å; H712-R714 VanDerWaalsContact C-N 3.26Å; H712-R714 PolarHBondContact O-N 3.23Å; H712-Q715 PolarHBondContact O-N 2.8Å; H712-Q716 PolarHBondContact O-N 2.91Å
713	L	36.4	Very low	39.7	Very low	100 Å²	100	134 Å²	134	52%	0.524	62%	0.617	S	S	.	*	H	α-helix	trans	-61.9	-28.8	175.2	-77.6	165.8	0	0	0	113.5	L709 G711	L709-L713 WeakPolarHBondContact O-CG 3.17Å; L709-L713 PolarHBondContact O-N 2.92Å; G711-L713 PolarHBondContact O-N 2.88Å
714	R	41.9	Very low	39.1	Very low	169 Å²	169	137.6 Å²	137.6	64%	0.638	63%	0.631	S	S	*	*	H	α-helix	trans	-78.7	-34.6	176.3	-69.5	178.3	-170	-161.9	4.9	112.8	Q710 G711 H712 Q717	Q710-R714 WeakPolarHBondContact O-CG 3.48Å; G711-R714 PolarHBondContact O-N 2.75Å; H712-R714 VanDerWaalsContact C-N 3.26Å; H712-R714 PolarHBondContact O-N 3.23Å; R714-Q717 PolarHBondContact O-N 3.11Å
715	Q	45.4	Very low	38.7	Very low	120 Å²	120	137.3 Å²	137.3	56%	0.561	64%	0.635	S	S	*	*	H	α-helix	trans	-69.8	-39.2	178.5	-72.5	-179.6	-35.3	0	0	112.2	G711 H712 Q717 Q718	G711-Q715 PolarHBondContact O-N 3.15Å; H712-Q715 PolarHBondContact O-N 2.8Å; Q715-Q717 PolarHBondContact O-N 3.21Å; Q715-Q718 PolarHBondContact O-N 3.2Å
716	Q	40.3	Very low	38.5	Very low	133 Å²	133	136.9 Å²	136.9	62%	0.621	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-20.7	178.2	-70	-173.4	-12	0	0	113.8	H712	H712-Q716 PolarHBondContact O-N 2.91Å
717	Q	38.2	Very low	38	Very low	168 Å²	168	136.9 Å²	136.9	79%	0.785	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-6.9	176.5	-71.7	-176.2	-18.4	0	0	114.3	R714 Q715	R714-Q717 PolarHBondContact O-N 3.11Å; Q715-Q717 PolarHBondContact O-N 3.21Å
718	Q	41	Very low	37.3	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	65%	0.652	S	S	*	*	S	Bend	trans	-107.7	-2.6	-172.8	-69.6	-173.8	-28.6	0	0	115.3	Q715	Q715-Q718 PolarHBondContact O-N 3.2Å
719	Q	38.2	Very low	36.6	Very low	165 Å²	165	141.3 Å²	141.3	77%	0.771	66%	0.664	S	S	*	*	S	Bend	trans	-111.9	2.4	-169.7	-69	-170.4	-31.5	0	0	116.5
720	H	34.7	Very low	36.3	Very low	180 Å²	180	145.5 Å²	145.5	83%	0.833	68%	0.682	S	S	*	*			trans	-104.2	12	-173.4	-96.8	-63.4	0	0	0	117.1
721	H	33.5	Very low	36	Very low	183 Å²	183	149.4 Å²	149.4	85%	0.847	70%	0.7	S	S	*	*			trans	-103.1	96.1	164.8	-80.6	-37.3	0	0	0	110.6
722	H	37	Very low	35.3	Very low	172 Å²	172	155.5 Å²	155.5	80%	0.796	72%	0.719	S	S	*	*			trans	175.4	110.5	139.9	-92.6	-63.5	0	0	0	114.1
723	Q	31.4	Very low	34.5	Very low	157 Å²	157	156 Å²	156	73%	0.734	72%	0.721	S	S	*	*			trans	25.1	129.2	144.4	-60.8	169.2	-72.6	0	0	125.3
724	H	30.7	Very low	34.2	Very low	156 Å²	156	161.1 Å²	161.1	72%	0.722	73%	0.734	S	S	*	*			trans	35	134.5	133.5	-58.9	-99.2	0	0	0	122.2
725	H	34.6	Very low	33.8	Very low	154 Å²	154	157.7 Å²	157.7	71%	0.713	73%	0.732	S	S	*	*				-173.6	162.3	65.1	-105.4	-74.1	0	0	0	115.2
726	H	33	Very low	33	Very low	139 Å²	139	158.1 Å²	158.1	64%	0.644	74%	0.735	S	S	*	*			trans	53.6	102.3	152.1	-73.6	-66.2	0	0	0	125.2
727	Q	28.7	Very low	32.5	Very low	152 Å²	152	156.6 Å²	156.6	71%	0.71	73%	0.73	S	S	*	*				81.8	145.3	113.3	-110.8	168	-26.7	0	0	124.1
728	H	29.7	Very low	32.3	Very low	158 Å²	158	153.7 Å²	153.7	73%	0.731	72%	0.72	S	S	*	*			trans	61.1	80	164	-74.6	-79.9	0	0	0	120.9
729	H	29.5	Very low	32	Very low	160 Å²	160	152.4 Å²	152.4	74%	0.741	71%	0.714	S	S	*	*			trans	-162	64.3	131.4	-119.9	-79.5	0	0	0	114.3	Q731	H729-Q731 PolarHBondContact O-N 2.99Å
730	H	29.8	Very low	31.6	Very low	166 Å²	166	151 Å²	151	77%	0.769	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	85.4	180	-94.5	-55.3	0	0	0	113.8
731	Q	31.4	Very low	31.5	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164	-21.2	145.6	-116.1	167.3	0	0	0	115.5	H729	H729-Q731 PolarHBondContact O-N 2.99Å
732	Q	31.2	Very low	31.5	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	68%	0.68	S	S	*	*	S	Bend	trans	-101.2	10.4	-177.4	-72.5	178.9	-27.6	0	0	115.2
733	Q	28.3	Very low	31.2	Very low	131 Å²	131	141.9 Å²	141.9	61%	0.612	67%	0.672	S	S	*	*	S	Bend	trans	-107.6	-7.9	179.4	-73.4	179.7	-22.1	0	0	114.8	T735	Q733-T735 VanDerWaalsContact C-N 3.26Å; Q733-T735 PolarHBondContact O-N 2.89Å
734	R	30	Very low	31.1	Very low	207 Å²	207	139.1 Å²	139.1	78%	0.781	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-4.9	175.1	-80.2	-170.6	173.5	-175.6	-1.2	114.3
735	T	33	Very low	31.2	Very low	97 Å²	97	138.7 Å²	138.7	60%	0.595	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-11.6	-178.9	40.9	0	0	0	0	114.8	Q733	Q733-T735 VanDerWaalsContact C-N 3.26Å; Q733-T735 PolarHBondContact O-N 2.89Å
736	M	28.2	Very low	31	Very low	129 Å²	129	136.6 Å²	136.6	64%	0.635	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-21.5	178.3	-67.5	-160.3	-67.3	0	0	114.7
737	I	31.3	Very low	30.9	Very low	101 Å²	101	134.8 Å²	134.8	52%	0.518	65%	0.648	S	S	.	*	S	Bend	trans	-78.7	-34.4	179	-68.2	174.5	0	0	0	111.7	Q739 Q740 N741	I737-Q739 PolarHBondContact O-N 2.88Å; I737-Q740 PolarHBondContact O-N 3.36Å; I737-N741 PolarHBondContact O-N 3.45Å
738	N	33.8	Very low	30.9	Very low	108 Å²	108	133 Å²	133	58%	0.578	64%	0.639	S	S	*	*	H	α-helix	trans	-68.7	-22.9	175	-75.6	18.9	0	0	0	112.9
739	Q	33.9	Very low	30.9	Very low	139 Å²	139	128.3 Å²	128.3	65%	0.65	63%	0.625	S	S	*	*	H	α-helix	trans	-81.5	-12.9	174.4	-69.4	-171.4	-28.6	0	0	114.1	I737	I737-Q739 PolarHBondContact O-N 2.88Å
740	Q	30.8	Very low	31	Very low	137 Å²	137	124.2 Å²	124.2	64%	0.64	61%	0.614	S	S	*	*	H	α-helix	trans	-95.8	-29.8	173.5	-69.7	-170.4	-65.1	0	0	112.9	I737 L743	I737-Q740 PolarHBondContact O-N 3.36Å; Q740-L743 PolarHBondContact O-N 3.11Å
741	N	31.6	Very low	31.1	Very low	90 Å²	90	121.6 Å²	121.6	48%	0.481	60%	0.604	S	S	.	*	H	α-helix	trans	-76.7	-34.1	179.5	-73.4	-26.8	0	0	0	113.7	I737 L743 I744 Q745	I737-N741 PolarHBondContact O-N 3.45Å; N741-L743 PolarHBondContact O-N 3.05Å; N741-I744 PolarHBondContact O-N 2.78Å; N741-I744 VanDerWaalsContact O-N 3.1Å; N741-Q745 PolarHBondContact O-N 3.37Å; N741-Q745 VanDerWaalsContact O-N 3.1Å
742	E	33.5	Very low	30.9	Very low	133 Å²	133	118.2 Å²	118.2	62%	0.621	59%	0.591	S	S	*	*	H	α-helix	trans	-64	-24.5	173.2	-71.7	-178.8	160.3	0	0	112.7	N746	E742-N746 WeakPolarHBondContact O-CB 3.37Å; E742-N746 PolarHBondContact O-ND2 2.68Å
743	L	30	Very low	30.7	Very low	119 Å²	119	115 Å²	115	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-80.7	-15.2	175.3	-108.3	157.4	0	0	0	113.6	Q740 N741 I747	Q740-L743 PolarHBondContact O-N 3.11Å; N741-L743 PolarHBondContact O-N 3.05Å; L743-I747 VanDerWaalsContact O-CD1 3.25Å; L743-I747 WeakPolarHBondContact O-CD1 3.47Å; L743-I747 WeakPolarHBondContact O-CG1 3.42Å
744	I	30.9	Very low	30.7	Very low	100 Å²	100	115.8 Å²	115.8	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-100.3	-40.2	-179.9	-66.6	175.5	0	0	0	111	N741 N746 I747 Q748	N741-I744 PolarHBondContact O-N 2.78Å; N741-I744 VanDerWaalsContact O-N 3.1Å; I744-N746 PolarHBondContact O-N 2.77Å; I744-I747 PolarHBondContact O-N 3.33Å; I744-Q748 PolarHBondContact O-N 2.93Å
745	Q	31.2	Very low	30.8	Very low	146 Å²	146	111.6 Å²	111.6	68%	0.682	59%	0.588	S	S	*	*	H	α-helix	trans	-67.2	-33.7	175.5	-73.5	-164.6	-27	0	0	113	N741 I747 Q748 S749	N741-Q745 PolarHBondContact O-N 3.37Å; N741-Q745 VanDerWaalsContact O-N 3.1Å; Q745-I747 VanDerWaalsContact C-N 3.25Å; Q745-I747 PolarHBondContact O-N 3.5Å; Q745-Q748 PolarHBondContact O-N 2.97Å; Q745-S749 PolarHBondContact O-N 3.03Å; Q745-S749 PolarHBondContact O-OG 3.29Å
746	N	32	Very low	30.6	Very low	111 Å²	111	111.1 Å²	111.1	59%	0.594	59%	0.589	S	S	*	*	H	α-helix	trans	-73.3	-10.8	175.4	-77.1	-53.4	0	0	0	114.7	E742 I744 S750	E742-N746 WeakPolarHBondContact O-CB 3.37Å; E742-N746 PolarHBondContact O-ND2 2.68Å; I744-N746 PolarHBondContact O-N 2.77Å; N746-S750 PolarHBondContact O-OG 3.18Å; N746-S750 VanDerWaalsContact O-OG 3.12Å
747	I	30.9	Very low	30.8	Very low	101 Å²	101	110.5 Å²	110.5	52%	0.518	59%	0.587	S	S	.	*	H	α-helix	trans	-93	-25.1	171.8	-65.5	176.5	0	0	0	110.8	L743 I744 Q745 S750 I751	L743-I747 VanDerWaalsContact O-CD1 3.25Å; L743-I747 WeakPolarHBondContact O-CD1 3.47Å; L743-I747 WeakPolarHBondContact O-CG1 3.42Å; I744-I747 PolarHBondContact O-N 3.33Å; Q745-I747 VanDerWaalsContact C-N 3.25Å; Q745-I747 PolarHBondContact O-N 3.5Å; I747-S750 PolarHBondContact O-OG 2.64Å; I747-I751 HydrophobicContact CG2-CD1 4.3Å; I747-I751 WeakPolarHBondContact O-CD1 3.32Å; I747-I751 VanDerWaalsContact O-CG1 3.31Å; I747-I751 WeakPolarHBondContact O-CG1 3.42Å
748	Q	28.9	Very low	30.5	Very low	113 Å²	113	115.9 Å²	115.9	53%	0.528	60%	0.601	S	S	.	*	H	α-helix	trans	-87.3	-34	176.9	-66.8	-171	-58.8	0	0	113.3	I744 Q745 I751 I752	I744-Q748 PolarHBondContact O-N 2.93Å; Q745-Q748 PolarHBondContact O-N 2.97Å; Q748-I751 PolarHBondContact O-N 3.22Å; Q748-I752 HydrophobicContact CB-CD1 4.32Å; Q748-I752 WeakPolarHBondContact O-CB 3.39Å; Q748-I752 VanDerWaalsContact O-CG1 3.3Å; Q748-I752 WeakPolarHBondContact O-CG1 3.25Å; Q748-I752 PolarHBondContact O-N 3.23Å
749	S	29.2	Very low	30.3	Very low	61 Å²	61	115.9 Å²	115.9	43%	0.427	61%	0.61	S	S	.	*	H	α-helix	trans	-61.8	-44.5	174.9	56.6	0	0	0	0	112.3	Q745 I751 I752 C753	Q745-S749 PolarHBondContact O-N 3.03Å; Q745-S749 PolarHBondContact O-OG 3.29Å; S749-I751 PolarHBondContact O-N 3.01Å; S749-I752 PolarHBondContact O-N 3.13Å; S749-C753 PolarHBondContact O-N 3.34Å
750	S	30.8	Very low	30.1	Very low	73 Å²	73	114.3 Å²	114.3	51%	0.51	61%	0.611	S	S	.	*	H	α-helix	trans	-68.1	-13.5	177.2	53.5	0	0	0	0	114.8	N746 I747	N746-S750 PolarHBondContact O-OG 3.18Å; N746-S750 VanDerWaalsContact O-OG 3.12Å; I747-S750 PolarHBondContact O-OG 2.64Å
751	I	31.3	Very low	30	Very low	111 Å²	111	114.7 Å²	114.7	57%	0.569	62%	0.616	S	S	*	*	H	α-helix	trans	-105.4	-24.5	179.4	-67.1	178.2	0	0	0	111.7	I747 Q748 S749	I747-I751 HydrophobicContact CG2-CD1 4.3Å; I747-I751 WeakPolarHBondContact O-CD1 3.32Å; I747-I751 VanDerWaalsContact O-CG1 3.31Å; I747-I751 WeakPolarHBondContact O-CG1 3.42Å; Q748-I751 PolarHBondContact O-N 3.22Å; S749-I751 PolarHBondContact O-N 3.01Å
752	I	28.9	Very low	29.9	Very low	112 Å²	112	117.4 Å²	117.4	57%	0.574	63%	0.629	S	S	*	*	H	α-helix	trans	-89.7	-23.3	-178.3	-67.7	170.3	0	0	0	112.8	Q748 S749 M754 T755	Q748-I752 HydrophobicContact CB-CD1 4.32Å; Q748-I752 WeakPolarHBondContact O-CB 3.39Å; Q748-I752 VanDerWaalsContact O-CG1 3.3Å; Q748-I752 WeakPolarHBondContact O-CG1 3.25Å; Q748-I752 PolarHBondContact O-N 3.23Å; S749-I752 PolarHBondContact O-N 3.13Å; I752-M754 PolarHBondContact O-N 3.18Å; I752-T755 PolarHBondContact O-OG1 3.4Å
753	C	27.2	Very low	29.5	Very low	95 Å²	95	118 Å²	118	64%	0.642	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-5	171.2	-69.3	0	0	0	0	114.5	S749	S749-C753 PolarHBondContact O-N 3.34Å
754	M	28	Very low	29.5	Very low	148 Å²	148	121 Å²	121	73%	0.729	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	1.3	-175.8	-73.2	-97.9	-81.6	0	0	114.4	I752	I752-M754 PolarHBondContact O-N 3.18Å
755	T	30.5	Very low	29.4	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	67%	0.668	S	S	*	*	S	Bend	trans	-129.1	8.7	-171.2	53.9	0	0	0	0	115.2	I752	I752-T755 PolarHBondContact O-OG1 3.4Å
756	S	30.1	Very low	29.3	Very low	88 Å²	88	129.5 Å²	129.5	62%	0.615	68%	0.677	S	S	*	*	S	Bend	trans	-123	-2.2	-171.7	56.2	0	0	0	0	116.6
757	I	31.5	Very low	29.2	Very low	115 Å²	115	131.1 Å²	131.1	59%	0.59	69%	0.685	S	S	*	*	S	Bend	trans	-122.1	11.7	-179	-41.4	-176.4	0	0	0	111.9
758	W	26.4	Very low	29.1	Very low	215 Å²	215	134.2 Å²	134.2	81%	0.814	70%	0.702	S	S	*	*			trans	-82.4	124.5	165.8	-84.2	44.7	0	0	0	109.3	L37	L37-W758 HydrophobicContact CD1-CH2 4.02Å
759	S	28	Very low	29.1	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	72%	0.719	S	S	*	*	S	Bend	trans	69.9	106.3	-159.6	-159.9	0	0	0	0	111.9
760	P	30	Very low	29.1	Very low	105 Å²	105	137.9 Å²	137.9	68%	0.682	73%	0.733	S	S	*	*	S	Bend		-132.6	18.1	51.6	41	-27.3	0	0	0	116.3	I762	P760-I762 PolarHBondContact O-N 3.44Å
761	I	29.3	Very low	29.2	Very low	145 Å²	145	143.6 Å²	143.6	74%	0.744	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	53.8	-169.7	-38	-179.3	0	0	0	113.5
762	I	28.4	Very low	29.1	Very low	147 Å²	147	144.4 Å²	144.4	75%	0.754	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-19.9	-179	-73.6	179.9	0	0	0	113.2	P760	P760-I762 PolarHBondContact O-N 3.44Å
763	N	25.5	Very low	29.1	Very low	147 Å²	147	147.4 Å²	147.4	79%	0.786	78%	0.777	S	S	*	*	S	Bend	trans	-144.5	79.5	-175.6	-81.8	-52.3	0	0	0	114
764	Q	30.4	Very low	29.3	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	79%	0.785	S	S	*	*			trans	-156.6	35.2	164.6	-140.3	168.9	-10.9	0	0	118
765	Y	27.7	Very low	29.5	Very low	242 Å²	242	148 Å²	148	95%	0.949	79%	0.793	S	S	*	*			trans	-129	72.4	167.1	-79	-76.3	0	0	0	112.2
766	Q	29	Very low	29.5	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	80%	0.797	S	S	*	*	S	Bend	trans	-136.8	133.3	157.5	-72.5	-170.2	-7.3	0	0	109
767	N	30	Very low	29.4	Very low	146 Å²	146	152.7 Å²	152.7	78%	0.781	80%	0.803	S	S	*	*			trans	21	114.1	161.9	-55.6	7	0	0	0	118.8
768	L	29.7	Very low	29.3	Very low	165 Å²	165	152.5 Å²	152.5	86%	0.864	81%	0.81	S	S	*	*			trans	-149.9	111.2	139.3	-142.8	77.4	0	0	0	111.6
769	T	29.4	Very low	29.6	Very low	143 Å²	143	148.9 Å²	148.9	88%	0.877	81%	0.806	S	S	*	*			trans	-100.5	121.7	173.5	47.9	0	0	0	0	109.9
770	C	29.6	Very low	29.8	Very low	109 Å²	109	150.2 Å²	150.2	74%	0.736	80%	0.804	S	S	*	*			trans	-136.1	127.6	171.1	-66	0	0	0	0	111
771	H	33	Very low	29.9	Very low	192 Å²	192	151.9 Å²	151.9	89%	0.889	81%	0.807	S	S	*	*			trans	-80.2	152.2	160	-91.9	8.8	0	0	0	110.1
772	C	27.2	Very low	30.1	Very low	128 Å²	128	153.2 Å²	153.2	87%	0.865	81%	0.81	S	S	*	*				-177.6	168.9	120.4	-100.8	0	0	0	0	113.5
773	Q	30.6	Very low	30.2	Very low	175 Å²	175	153.6 Å²	153.6	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65	166.8	-167.7	-84.5	162.3	-96	0	0	117.2
774	P	30.5	Very low	30.5	Very low	125 Å²	125	157.2 Å²	157.2	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.1	149.4	-174.8	31.2	-37.8	0	0	0	114.2
775	C	31.8	Very low	30.6	Very low	132 Å²	132	159.7 Å²	159.7	89%	0.892	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88.1	134.1	177.2	-57.8	0	0	0	0	112.2
776	M	30.8	Very low	30.8	Very low	168 Å²	168	154.7 Å²	154.7	83%	0.828	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-101.7	155.4	164.3	-100.6	-67.3	-154.1	0	0	110.5
777	D	28.9	Very low	31	Very low	137 Å²	137	153.6 Å²	153.6	73%	0.733	80%	0.802	S	S	*	*			trans	64.9	156.6	155.8	-77.7	-42.9	0	0	0	122
778	C	28.6	Very low	31.3	Very low	110 Å²	110	152.6 Å²	152.6	74%	0.743	80%	0.796	S	S	*	*			trans	68.6	111.8	171.8	-63.6	0	0	0	0	117
779	I	32.3	Very low	31.7	Very low	140 Å²	140	151 Å²	151	72%	0.718	79%	0.788	S	S	*	*			cis	92.7	125.8	38.9	-62.5	165.6	0	0	0	112.9
780	N	32.1	Very low	32.2	Very low	136 Å²	136	151.6 Å²	151.6	73%	0.727	79%	0.786	S	S	*	*			trans	82	134	168.1	-71.2	5.7	0	0	0	121.5
781	D	32.3	Very low	32.4	Very low	139 Å²	139	150.9 Å²	150.9	74%	0.743	78%	0.781	S	S	*	*			trans	68.1	103.8	145.4	-52.5	-19.8	0	0	0	122.5
782	E	33.2	Very low	33.2	Very low	173 Å²	173	148 Å²	148	81%	0.808	77%	0.768	S	S	*	*			trans	54.9	133.8	137.5	-56.1	-155.7	142.9	0	0	122.8
783	L	31.3	Very low	34.3	Very low	155 Å²	155	147.1 Å²	147.1	81%	0.812	75%	0.753	S	S	*	*			trans	62.5	64.1	154.7	-87.4	136.4	0	0	0	118.3
784	Y	31.8	Very low	35.5	Very low	223 Å²	223	144.1 Å²	144.1	88%	0.875	74%	0.739	S	S	*	*			trans	-140.4	134.7	143.2	-109.7	-81.4	0	0	0	113.5
785	R	32.3	Very low	37.1	Very low	234 Å²	234	139.8 Å²	139.8	88%	0.883	71%	0.711	S	S	*	*			trans	-78	115.9	161.8	-82.9	-176.2	174.4	175.8	-2.4	108.2
786	I	32.1	Very low	38.8	Very low	137 Å²	137	136.4 Å²	136.4	70%	0.703	69%	0.689	S	S	*	*			trans	-105.5	118.6	165.4	-59.2	178.7	0	0	0	107.2	I788	I786-I788 HydrophobicContact CG2-CG1 4.01Å; I786-I788 PolarHBondContact O-N 2.91Å; I786-I788 VanDerWaalsContact O-N 3.14Å
787	E	33.2	Very low	41	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	66%	0.66	S	S	*	*			trans	-77.1	93.9	171.3	-66.7	-172	173.2	0	0	109.3	N789	E787-N789 PolarHBondContact O-N 2.75Å; E787-N789 PolarHBondContact OE2-ND2 3.4Å; E787-N789 VanDerWaalsContact OE2-ND2 3.14Å
788	I	37.5	Very low	43.5	Very low	125 Å²	125	126.3 Å²	126.3	64%	0.641	64%	0.636	S	S	*	*			trans	-77.3	63.3	176.7	-48.1	179.4	0	0	0	109.5	I786 N790 C791	I786-I788 HydrophobicContact CG2-CG1 4.01Å; I786-I788 PolarHBondContact O-N 2.91Å; I786-I788 VanDerWaalsContact O-N 3.14Å; I788-N790 PolarHBondContact O-N 3.23Å; I788-N790 VanDerWaalsContact O-N 3.16Å; I788-C791 HydrophobicContact CG2-CB 3.92Å
789	N	37.3	Very low	45.8	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	10.5	-173.3	-78.4	-22.4	0	0	0	114.4	E787	E787-N789 PolarHBondContact O-N 2.75Å; E787-N789 PolarHBondContact OE2-ND2 3.4Å; E787-N789 VanDerWaalsContact OE2-ND2 3.14Å
790	N	39.5	Very low	48.3	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.2	27.3	-177.4	-140.5	17.5	0	0	0	117.9	I788	I788-N790 PolarHBondContact O-N 3.23Å; I788-N790 VanDerWaalsContact O-N 3.16Å
791	C	34.4	Very low	50.9	Low	93 Å²	93	121 Å²	121	63%	0.628	60%	0.598	S	S	*	*			trans	-116.2	91.4	171.3	-68.9	0	0	0	0	110.7	I788 I793	I788-C791 HydrophobicContact CG2-CB 3.92Å; C791-I793 PolarHBondContact O-N 2.99Å; C791-I793 VanDerWaalsContact O-N 3.14Å
792	Q	48.9	Very low	53.2	Low	133 Å²	133	119.9 Å²	119.9	62%	0.621	60%	0.599	S	S	*	*			trans	-72.9	104.8	171.7	-77.9	-172.8	-53.1	0	0	110.4	H794	Q792-H794 WeakPolarHBondContact CB-NE2 3.32Å; Q792-H794 PolarHBondContact O-CD2 3.22Å; Q792-H794 VanDerWaalsContact O-CD2 3.31Å; Q792-H794 PolarHBondContact O-N 3.22Å; Q792-H794 VanDerWaalsContact O-N 3.16Å
793	I	50.1	Low	55.7	Low	109 Å²	109	114.5 Å²	114.5	56%	0.559	57%	0.571	S	S	*	*			trans	-78	95.5	172.5	-59.9	-178.9	0	0	0	107.9	C791 P824	C791-I793 PolarHBondContact O-N 2.99Å; C791-I793 VanDerWaalsContact O-N 3.14Å; I793-P824 HydrophobicContact CG2-CB 4.43Å; I793-P824 HydrophobicContact CG2-CG 3.27Å
794	H	56.4	Low	58.2	Low	112 Å²	112	109.5 Å²	109.5	52%	0.519	55%	0.549	S	S	.	.			trans	-81.1	137.7	-179.9	-73.2	-84.5	0	0	0	112.3	Q792	Q792-H794 WeakPolarHBondContact CB-NE2 3.32Å; Q792-H794 PolarHBondContact O-CD2 3.22Å; Q792-H794 VanDerWaalsContact O-CD2 3.31Å; Q792-H794 PolarHBondContact O-N 3.22Å; Q792-H794 VanDerWaalsContact O-N 3.16Å
795	P	63.6	Low	60.6	Low	33 Å²	33	104.1 Å²	104.1	21%	0.214	54%	0.544	C	S	.	.			trans	-73.8	134.1	175.1	32.1	-30.9	0	0	0	109.5	I840 G841	P795-I840 HydrophobicContact CB-CG2 4.06Å; P795-I840 HydrophobicContact CG-CG2 3.66Å; P795-G841 WeakPolarHBondContact CG-O 3.26Å
796	S	67.4	Low	63	Low	61 Å²	61	95.4 Å²	95.4	43%	0.427	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.6	-171.3	-61.8	0	0	0	0	111	S823 C842	S796-S823 WeakPolarHBondContact CA-O 3.18Å; S796-S823 WeakPolarHBondContact CB-O 3.38Å; S796-S823 PolarHBondContact N-O 2.7Å; S796-C842 VanDerWaalsContact C-SG 3.56Å
797	W	78.1	Confident	65.4	Low	63 Å²	63	92.6 Å²	92.6	24%	0.239	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.5	173.4	-71.4	100	0	0	0	111.4	R819 C821 C842 K843 E858 E860	W797-R819 HydrophobicContact CD2-CG 4.4Å; W797-R819 HydrophobicContact CE3-CB 4.5Å; W797-R819 HydrophobicContact CE3-CG 3.7Å; W797-R819 HydrophobicContact CZ3-CG 4.21Å; W797-C821 HydrophobicContact CE3-CB 4.49Å; W797-C821 HydrophobicContact CZ3-CB 4.32Å; W797-C842 HydrophobicContact CD2-CB 4.04Å; W797-C842 VanDerWaalsContact CE2-CB 3.5Å; W797-C842 HydrophobicContact CG-CB 4.48Å; W797-C842 HydrophobicContact CH2-CB 4.23Å; W797-C842 HydrophobicContact CZ2-CB 3.6Å; W797-K843 HydrophobicContact CZ2-CG 4.4Å; W797-E858 HydrophobicContact CH2-CG 4.13Å; W797-E860 HydrophobicContact CH2-CB 3.99Å; W797-E860 HydrophobicContact CZ3-CB 3.86Å
798	S	81.2	Confident	67.5	Low	30 Å²	30	87.4 Å²	87.4	21%	0.21	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-60.2	163	166.1	84.8	0	0	0	0	110.9	R820	S798-R820 WeakPolarHBondContact CB-O 3.27Å; S798-R820 PolarHBondContact N-O 2.81Å; S798-R820 PolarHBondContact OG-N 3.21Å
799	L	77.7	Confident	69.1	Low	164 Å²	164	89.9 Å²	89.9	86%	0.859	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-55.2	147.6	163.8	-64.8	173.8	0	0	0	110.5
800	W	84.5	Confident	70.5	Confident	72 Å²	72	88.9 Å²	88.9	27%	0.273	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-63.4	141.3	169.1	-73.7	105	0	0	0	110.5	R817 R819 E860 Q862	W800-R817 HydrophobicContact CD2-CG 4.28Å; W800-R817 HydrophobicContact CE3-CB 4.38Å; W800-R817 HydrophobicContact CE3-CG 3.66Å; W800-R817 HydrophobicContact CZ3-CG 4.09Å; W800-R819 HydrophobicContact CD2-CB 4.13Å; W800-R819 HydrophobicContact CD2-CG 4.1Å; W800-R819 HydrophobicContact CE3-CB 3.92Å; W800-R819 HydrophobicContact CE3-CG 3.88Å; W800-R819 HydrophobicContact CH2-CG 3.94Å; W800-R819 HydrophobicContact CZ2-CG 4.14Å; W800-R819 HydrophobicContact CZ3-CB 4.3Å; W800-R819 HydrophobicContact CZ3-CG 3.8Å; W800-E860 HydrophobicContact CH2-CG 4.03Å; W800-E860 WeakPolarHBondContact CH2-OE1 3.33Å; W800-Q862 HydrophobicContact CH2-CB 3.76Å; W800-Q862 HydrophobicContact CZ3-CB 3.83Å
801	S	85.6	Confident	72	Confident	39 Å²	39	83.1 Å²	83.1	27%	0.273	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-59.9	161.4	166.2	75.9	0	0	0	0	110.9	R817 M818	S801-R817 WeakPolarHBondContact OG-CA 3.45Å; S801-M818 WeakPolarHBondContact CB-O 3.29Å; S801-M818 PolarHBondContact N-O 2.91Å; S801-M818 PolarHBondContact OG-N 3.23Å
802	P	81	Confident	73.9	Confident	116 Å²	116	84.8 Å²	84.8	75%	0.753	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-49.6	150.7	157.6	-24.1	34.6	0	0	0	110.9
803	W	85.1	Confident	75.4	Confident	59 Å²	59	78.6 Å²	78.6	22%	0.223	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-62.5	142	165.1	-71.3	112.1	0	0	0	110	R815 T816 R817 Q862 E864	W803-R815 HydrophobicContact CD2-CG 4.05Å; W803-R815 HydrophobicContact CE3-CB 4.19Å; W803-R815 HydrophobicContact CE3-CG 3.64Å; W803-R815 HydrophobicContact CG-CG 4.48Å; W803-R815 HydrophobicContact CZ3-CG 4.07Å; W803-T816 CarbonylContact C-O 3.57Å; W803-T816 WeakPolarHBondContact CA-O 3.42Å; W803-T816 VanDerWaalsContact CE3-C 3.47Å; W803-R817 HydrophobicContact CD2-CB 4.13Å; W803-R817 HydrophobicContact CD2-CG 4.07Å; W803-R817 HydrophobicContact CE3-CB 3.8Å; W803-R817 HydrophobicContact CE3-CG 3.74Å; W803-R817 HydrophobicContact CH2-CG 3.91Å; W803-R817 HydrophobicContact CZ2-CG 4.19Å; W803-R817 HydrophobicContact CZ3-CB 4.2Å; W803-R817 HydrophobicContact CZ3-CG 3.67Å; W803-Q862 HydrophobicContact CH2-CG 3.95Å; W803-E864 HydrophobicContact CH2-CB 3.76Å; W803-E864 VanDerWaalsContact CH2-OE2 3.27Å; W803-E864 WeakPolarHBondContact CH2-OE2 3.39Å; W803-E864 HydrophobicContact CZ2-CB 4.49Å; W803-E864 WeakPolarHBondContact CZ2-OE2 3.41Å; W803-E864 HydrophobicContact CZ3-CB 3.93Å
804	S	85	Confident	76.9	Confident	51 Å²	51	77.3 Å²	77.3	36%	0.357	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-60.1	162.8	167.4	74.1	0	0	0	0	111	R815 T816	S804-R815 WeakPolarHBondContact OG-CA 3.5Å; S804-T816 PolarHBondContact N-O 2.98Å; S804-T816 PolarHBondContact OG-N 3.21Å
805	S	81.1	Confident	78.3	Confident	110 Å²	110	73.2 Å²	73.2	77%	0.769	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-49.2	145.1	155.3	-54.8	0	0	0	0	110
806	C	83.6	Confident	79.3	Confident	51 Å²	51	74 Å²	74	35%	0.345	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-62.9	142.5	169	-165.5	0	0	0	0	109.2	S808 G813 I814	C806-S808 PolarHBondContact O-N 3.14Å; C806-G813 VanDerWaalsContact SG-CA 3.52Å; C806-I814 CarbonylContact C-O 3.56Å; C806-I814 WeakPolarHBondContact CA-O 3.49Å
807	S	82.7	Confident	80.4	Confident	78 Å²	78	74 Å²	74	55%	0.545	43%	0.425	S	S	.	.	S	Bend	trans	-67.4	-0.1	-176.5	68.7	0	0	0	0	115.1	G813 I814	S807-G813 WeakPolarHBondContact OG-CA 3.43Å; S807-I814 PolarHBondContact N-O 2.95Å; S807-I814 PolarHBondContact OG-N 3.18Å
808	S	77.4	Confident	80.7	Confident	50 Å²	50	74.2 Å²	74.2	35%	0.35	43%	0.43	S	S	.	.			trans	-155.1	133.6	-173.9	-55.2	0	0	0	0	110.6	C806 C810	C806-S808 PolarHBondContact O-N 3.14Å; S808-C810 WeakPolarHBondContact CB-O 3.11Å; S808-C810 PolarHBondContact O-N 3.26Å
809	D	70	Confident	80.8	Confident	177 Å²	177	75.6 Å²	75.6	95%	0.947	43%	0.43	S	S	*	.	S	Bend	trans	-71.6	-17.1	-179.7	-61.8	-64.9	0	0	0	113.6
810	C	68.4	Low	80.8	Confident	109 Å²	109	73.7 Å²	73.7	74%	0.736	41%	0.412	S	S	*	.	S	Bend	trans	-155.7	165.9	173.5	62.9	0	0	0	0	110.4	S808	S808-C810 WeakPolarHBondContact CB-O 3.11Å; S808-C810 PolarHBondContact O-N 3.26Å
811	G	70.3	Confident	80.2	Confident	36 Å²	36	71.2 Å²	71.2	37%	0.371	41%	0.405	S	S	.	.	S	Bend	trans	81.8	-155.7	-175.5	0	0	0	0	0	112.9
812	H	74.9	Confident	79.5	Confident	127 Å²	127	72.7 Å²	72.7	59%	0.588	41%	0.41	S	S	*	.	S	Bend	trans	-82.2	129.3	172	-61.6	-90.8	0	0	0	109.3	Q868	H812-Q868 PolarHBondContact NE2-NE2 2.92Å
813	G	80.3	Confident	78.7	Confident	3 Å²	3	70 Å²	70	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	168.4	176.4	0	0	0	0	0	112	C806 S807 C866	C806-G813 VanDerWaalsContact SG-CA 3.52Å; S807-G813 WeakPolarHBondContact OG-CA 3.43Å; G813-C866 PolarHBondContact O-N 3.4Å
814	I	80.5	Confident	77.2	Confident	83 Å²	83	70.7 Å²	70.7	43%	0.426	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.7	-174.8	-63.1	174.5	0	0	0	109.2	C806 S807 T816 V863 E864	C806-I814 CarbonylContact C-O 3.56Å; C806-I814 WeakPolarHBondContact CA-O 3.49Å; S807-I814 PolarHBondContact N-O 2.95Å; S807-I814 PolarHBondContact OG-N 3.18Å; I814-T816 HydrophobicContact CG2-CG2 4.21Å; I814-V863 HydrophobicContact CG2-CG1 3.38Å; I814-E864 WeakPolarHBondContact CA-O 3.3Å
815	R	87.1	Confident	75.7	Confident	25 Å²	25	75.9 Å²	75.9	9%	0.094	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.1	165.4	66.9	178.4	-168	-175.5	-4.4	111	W803 S804 E864 C873	W803-R815 HydrophobicContact CD2-CG 4.05Å; W803-R815 HydrophobicContact CE3-CB 4.19Å; W803-R815 HydrophobicContact CE3-CG 3.64Å; W803-R815 HydrophobicContact CG-CG 4.48Å; W803-R815 HydrophobicContact CZ3-CG 4.07Å; S804-R815 WeakPolarHBondContact OG-CA 3.5Å; R815-E864 HydrophobicContact CG-CB 3.97Å; R815-E864 IonicContact CZ-OE1 2.63Å; R815-E864 IonicContact CZ-OE2 2.73Å; R815-E864 PolarHBondContact N-O 3.21Å; R815-E864 VanDerWaalsContact NE-CD 3.28Å; R815-E864 IonicContact NE-OE1 3.3Å; R815-E864 IonicContact NE-OE2 2.63Å; R815-E864 PolarHBondContact NE-OE2 2.81Å; R815-E864 IonicContact NH2-OE1 3.59Å; R815-E864 PolarHBondContact NH2-OE1 3.35Å; R815-E864 IonicContact NH2-OE2 3.49Å; R815-E864 PolarHBondContact NH2-OE2 3.03Å; R815-E864 PolarHBondContact O-N 2.6Å; R815-C873 PolarHBondContact NH1-O 2.66Å; R815-C873 PolarHBondContact NH2-O 2.99Å
816	T	83.3	Confident	73.9	Confident	51 Å²	51	76 Å²	76	31%	0.313	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.2	-177.8	65.4	0	0	0	0	112.4	W803 S804 I814 Q862 V863	W803-T816 CarbonylContact C-O 3.57Å; W803-T816 WeakPolarHBondContact CA-O 3.42Å; W803-T816 VanDerWaalsContact CE3-C 3.47Å; S804-T816 PolarHBondContact N-O 2.98Å; S804-T816 PolarHBondContact OG-N 3.21Å; I814-T816 HydrophobicContact CG2-CG2 4.21Å; T816-Q862 CarbonylContact C-O 3.58Å; T816-Q862 VanDerWaalsContact CA-O 3.23Å; T816-Q862 WeakPolarHBondContact CA-O 3.41Å; T816-V863 HydrophobicContact CG2-CG1 4.36Å; T816-V863 HydrophobicContact CG2-CG2 4.19Å
817	R	91	Very high	72.2	Confident	59 Å²	59	79 Å²	79	22%	0.223	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.4	171.1	65.7	176.9	-172.6	-176.4	0.9	111	W800 S801 W803 L861 Q862	W800-R817 HydrophobicContact CD2-CG 4.28Å; W800-R817 HydrophobicContact CE3-CB 4.38Å; W800-R817 HydrophobicContact CE3-CG 3.66Å; W800-R817 HydrophobicContact CZ3-CG 4.09Å; S801-R817 WeakPolarHBondContact OG-CA 3.45Å; W803-R817 HydrophobicContact CD2-CB 4.13Å; W803-R817 HydrophobicContact CD2-CG 4.07Å; W803-R817 HydrophobicContact CE3-CB 3.8Å; W803-R817 HydrophobicContact CE3-CG 3.74Å; W803-R817 HydrophobicContact CH2-CG 3.91Å; W803-R817 HydrophobicContact CZ2-CG 4.19Å; W803-R817 HydrophobicContact CZ3-CB 4.2Å; W803-R817 HydrophobicContact CZ3-CG 3.67Å; R817-L861 WeakPolarHBondContact O-CA 3.49Å; R817-Q862 HydrophobicContact CG-CB 3.98Å; R817-Q862 VanDerWaalsContact CZ-OE1 3.26Å; R817-Q862 PolarHBondContact N-O 3.01Å; R817-Q862 PolarHBondContact O-N 2.74Å
818	M	83.8	Confident	70.5	Confident	69 Å²	69	82.4 Å²	82.4	34%	0.34	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.7	-174.5	61.4	178	-70.5	0	0	113.1	S801 V859 E860 L861	S801-M818 WeakPolarHBondContact CB-O 3.29Å; S801-M818 PolarHBondContact N-O 2.91Å; S801-M818 PolarHBondContact OG-N 3.23Å; M818-V859 HydrophobicContact CB-CG1 4.38Å; M818-V859 HydrophobicContact CE-CG1 3.78Å; M818-E860 CarbonylContact C-O 3.55Å; M818-E860 WeakPolarHBondContact CA-O 3.32Å; M818-L861 HydrophobicContact CB-CD1 4.3Å
819	R	84.7	Confident	68.9	Low	58 Å²	58	86.6 Å²	86.6	22%	0.219	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.5	168.2	62.8	176.6	-175.4	175.7	-4.3	110.9	W797 W800 V859 E860	W797-R819 HydrophobicContact CD2-CG 4.4Å; W797-R819 HydrophobicContact CE3-CB 4.5Å; W797-R819 HydrophobicContact CE3-CG 3.7Å; W797-R819 HydrophobicContact CZ3-CG 4.21Å; W800-R819 HydrophobicContact CD2-CB 4.13Å; W800-R819 HydrophobicContact CD2-CG 4.1Å; W800-R819 HydrophobicContact CE3-CB 3.92Å; W800-R819 HydrophobicContact CE3-CG 3.88Å; W800-R819 HydrophobicContact CH2-CG 3.94Å; W800-R819 HydrophobicContact CZ2-CG 4.14Å; W800-R819 HydrophobicContact CZ3-CB 4.3Å; W800-R819 HydrophobicContact CZ3-CG 3.8Å; R819-V859 CarbonylContact O-C 3.58Å; R819-V859 WeakPolarHBondContact O-CA 2.93Å; R819-E860 HydrophobicContact CG-CB 3.9Å; R819-E860 IonicContact CZ-OE2 2.75Å; R819-E860 PolarHBondContact N-O 3.01Å; R819-E860 IonicContact NE-OE1 3.81Å; R819-E860 IonicContact NE-OE2 2.69Å; R819-E860 PolarHBondContact NE-OE2 2.92Å; R819-E860 IonicContact NH2-OE1 2.69Å; R819-E860 PolarHBondContact NH2-OE1 2.88Å; R819-E860 IonicContact NH2-OE2 3.56Å; R819-E860 PolarHBondContact NH2-OE2 2.85Å; R819-E860 PolarHBondContact O-N 3.23Å
820	R	76.6	Confident	67.6	Low	125 Å²	125	87.3 Å²	87.3	47%	0.472	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157	-177.4	-63.9	-175.7	178.1	143.9	0.7	111.9	S798 D822 E858 V859	S798-R820 WeakPolarHBondContact CB-O 3.27Å; S798-R820 PolarHBondContact N-O 2.81Å; S798-R820 PolarHBondContact OG-N 3.21Å; R820-D822 HydrophobicContact CB-CB 4.45Å; R820-D822 WeakPolarHBondContact CB-OD2 3.5Å; R820-E858 CarbonylContact C-O 3.58Å; R820-E858 VanDerWaalsContact CA-O 3.28Å; R820-E858 WeakPolarHBondContact CA-O 3.34Å; R820-V859 HydrophobicContact CG-CG2 4.34Å
821	C	71.7	Confident	66.5	Low	19 Å²	19	86.5 Å²	86.5	13%	0.128	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	96.3	162	-170	0	0	0	0	108.8	W797 C842 E858	W797-C821 HydrophobicContact CE3-CB 4.49Å; W797-C821 HydrophobicContact CZ3-CB 4.32Å; C821-C842 VanDerWaalsContact CA-SG 3.58Å; C821-C842 HydrophobicContact CB-CB 3.69Å; C821-C842 WeakPolarHBondContact CB-SG 3.48Å; C821-C842 WeakPolarHBondContact SG-CB 3.35Å; C821-C842 PolarHBondContact SG-N 3.04Å; C821-C842 CovalentContact SG-SG 2.03Å; C821-C842 PolarHBondContact SG-SG 3.03Å; C821-E858 HydrophobicContact CB-CB 3.67Å; C821-E858 PolarHBondContact N-O 3.34Å
822	D	70	Confident	65.3	Low	70 Å²	70	91.5 Å²	91.5	37%	0.374	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	-0.4	-174	56.7	21.9	0	0	0	114.5	R820	R820-D822 HydrophobicContact CB-CB 4.45Å; R820-D822 WeakPolarHBondContact CB-OD2 3.5Å
823	S	64.7	Low	64.1	Low	60 Å²	60	93.9 Å²	93.9	42%	0.42	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.2	-176.4	-64.6	0	0	0	0	110.3	S796	S796-S823 WeakPolarHBondContact CA-O 3.18Å; S796-S823 WeakPolarHBondContact CB-O 3.38Å; S796-S823 PolarHBondContact N-O 2.7Å
824	P	54.8	Low	62.1	Low	73 Å²	73	100.5 Å²	100.5	47%	0.474	51%	0.51	S	S	.	.	S	Bend	cis	-86.1	169.4	-2.4	30.6	-23.4	0	0	0	113.2	I793	I793-P824 HydrophobicContact CG2-CB 4.43Å; I793-P824 HydrophobicContact CG2-CG 3.27Å
825	Q	52.6	Low	60.5	Low	160 Å²	160	102.3 Å²	102.3	75%	0.748	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-66.9	150.4	176.1	-64.8	-177	-5.9	0	0	112	V827	Q825-V827 PolarHBondContact O-N 2.91Å
826	P	42.9	Very low	58.2	Low	112 Å²	112	104.3 Å²	104.3	73%	0.727	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-61.6	129.8	177.6	-22.7	33.9	0	0	0	112.7	L839	P826-L839 HydrophobicContact CB-CD2 4.28Å; P826-L839 HydrophobicContact CG-CD2 4.32Å
827	V	49.2	Very low	56.4	Low	114 Å²	114	105 Å²	105	69%	0.691	53%	0.534	S	S	*	.			trans	-109.2	128.6	178.4	-174.7	0	0	0	0	109.7	Q825 M829	Q825-V827 PolarHBondContact O-N 2.91Å; V827-M829 PolarHBondContact O-N 2.87Å
828	E	45.9	Very low	54.1	Low	150 Å²	150	108.1 Å²	108.1	70%	0.701	55%	0.549	S	S	*	.			trans	-73.6	119.1	175	-68	-155	138.3	0	0	111.5
829	M	44.7	Very low	52.5	Low	139 Å²	139	107.7 Å²	107.7	69%	0.685	55%	0.548	S	S	*	.			trans	-114.5	131.7	171.6	-63.7	-175.4	73.4	0	0	110.3	V827	V827-M829 PolarHBondContact O-N 2.87Å
830	K	41.7	Very low	50.9	Low	192 Å²	192	109.3 Å²	109.3	84%	0.835	56%	0.56	S	S	*	*			trans	-105.8	122.3	175.8	-69.8	178.7	-180	172.4	0	110.2
831	I	45.6	Very low	49.7	Very low	92 Å²	92	104.4 Å²	104.4	47%	0.472	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-126.7	128.2	-176.3	-57.1	179.7	0	0	0	110.2	N833 Q834	I831-N833 PolarHBondContact O-N 2.95Å; I831-Q834 PolarHBondContact O-N 2.94Å
832	N	45	Very low	48.8	Very low	141 Å²	141	104.5 Å²	104.5	75%	0.754	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	53.4	164	-61.9	-17.6	0	0	0	118	Q834	N832-Q834 PolarHBondContact O-N 2.95Å
833	N	50	Low	48.1	Very low	176 Å²	176	106.3 Å²	106.3	94%	0.941	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.6	19	173.4	-70	-1	0	0	0	115.6	I831	I831-N833 PolarHBondContact O-N 2.95Å
834	Q	38.8	Very low	47.5	Very low	143 Å²	143	108.3 Å²	108.3	67%	0.668	56%	0.556	S	S	*	*	B	Isolated β-bridge	trans	-121.6	130.2	174	-68	-175.7	-15.7	0	0	109.6	I831 N832 T836	I831-Q834 PolarHBondContact O-N 2.94Å; N832-Q834 PolarHBondContact O-N 2.95Å; Q834-T836 VanDerWaalsContact C-N 3.32Å; Q834-T836 PolarHBondContact O-N 2.81Å
835	N	46.4	Very low	47.2	Very low	120 Å²	120	108.5 Å²	108.5	64%	0.642	56%	0.559	S	S	*	*			trans	-81.2	76	-175.1	-87.3	4.3	0	0	0	110.8	V850	N835-V850 VanDerWaalsContact C-CG2 3.49Å; N835-V850 HydrophobicContact CB-CB 3.98Å; N835-V850 HydrophobicContact CB-CG2 3.7Å; N835-V850 WeakPolarHBondContact O-CG2 3.4Å; N835-V850 PolarHBondContact O-N 3.5Å
836	T	39.4	Very low	47	Very low	67 Å²	67	105.6 Å²	105.6	41%	0.411	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.8	178.7	52.9	0	0	0	0	111.5	Q834	Q834-T836 VanDerWaalsContact C-N 3.32Å; Q834-T836 PolarHBondContact O-N 2.81Å
837	K	44.3	Very low	47.3	Very low	67 Å²	67	106 Å²	106	29%	0.291	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.7	168.5	-71.9	169.8	177.9	162.6	0	108.7	I848 V850	K837-I848 PolarHBondContact N-O 2.93Å; K837-I848 PolarHBondContact O-N 2.96Å; K837-V850 HydrophobicContact CD-CG2 4.32Å; K837-V850 HydrophobicContact CG-CG2 3.94Å; K837-V850 PolarHBondContact NZ-O 3.47Å
838	K	43	Very low	47.3	Very low	124 Å²	124	102.2 Å²	102.2	54%	0.539	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.9	173	-169	157.4	-170.5	153.3	0	109.5	E847	K838-E847 HydrophobicContact CD-CG 4.05Å; K838-E847 WeakPolarHBondContact CE-OE1 3.04Å; K838-E847 HydrophobicContact CG-CG 4.06Å; K838-E847 IonicContact NZ-OE1 3.58Å; K838-E847 PolarHBondContact NZ-OE1 3.46Å
839	L	49.9	Very low	47.1	Very low	59 Å²	59	97.2 Å²	97.2	31%	0.309	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.5	178.9	-85.1	155	0	0	0	109.5	P826 S845 Y846 I848	P826-L839 HydrophobicContact CB-CD2 4.28Å; P826-L839 HydrophobicContact CG-CD2 4.32Å; L839-S845 WeakPolarHBondContact O-CA 3.47Å; L839-Y846 PolarHBondContact N-O 3.18Å; L839-Y846 PolarHBondContact O-N 3.04Å; L839-I848 HydrophobicContact CD1-CD1 3.72Å; L839-I848 HydrophobicContact CD1-CG1 4.3Å
840	I	50.7	Low	47.3	Very low	93 Å²	93	92.8 Å²	92.8	48%	0.477	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	104.4	-171.6	-63.6	174.5	0	0	0	106.5	P795	P795-I840 HydrophobicContact CB-CG2 4.06Å; P795-I840 HydrophobicContact CG-CG2 3.66Å
841	G	52.1	Low	47.7	Very low	21 Å²	21	90.5 Å²	90.5	22%	0.216	47%	0.467	C	S	.	.			trans	-111	162.8	-175.7	0	0	0	0	0	113	P795 K843 H844	P795-G841 WeakPolarHBondContact CG-O 3.26Å; G841-K843 PolarHBondContact O-N 2.86Å; G841-H844 CarbonylContact C-O 3.35Å; G841-H844 WeakPolarHBondContact CA-O 3.26Å; G841-H844 PolarHBondContact N-O 2.87Å; G841-H844 PolarHBondContact O-N 3.1Å; G841-H844 VanDerWaalsContact O-O 3.11Å
842	C	52.1	Low	47.4	Very low	21 Å²	21	91.9 Å²	91.9	14%	0.142	47%	0.472	C	S	.	.	S	Bend	trans	-71.7	-4	-165.3	-69.3	0	0	0	0	115.3	S796 W797 C821 E858	S796-C842 VanDerWaalsContact C-SG 3.56Å; W797-C842 HydrophobicContact CD2-CB 4.04Å; W797-C842 VanDerWaalsContact CE2-CB 3.5Å; W797-C842 HydrophobicContact CG-CB 4.48Å; W797-C842 HydrophobicContact CH2-CB 4.23Å; W797-C842 HydrophobicContact CZ2-CB 3.6Å; C821-C842 VanDerWaalsContact CA-SG 3.58Å; C821-C842 HydrophobicContact CB-CB 3.69Å; C821-C842 WeakPolarHBondContact CB-SG 3.48Å; C821-C842 WeakPolarHBondContact SG-CB 3.35Å; C821-C842 PolarHBondContact SG-N 3.04Å; C821-C842 CovalentContact SG-SG 2.03Å; C821-C842 PolarHBondContact SG-SG 3.03Å; C842-E858 PolarHBondContact N-OE2 3.36Å
843	K	55.8	Low	47.5	Very low	108 Å²	108	92.2 Å²	92.2	47%	0.47	47%	0.474	S	S	.	.	S	Bend	trans	-120.1	-30.7	165.9	-59.8	-168.4	-172.8	88.7	0	114	W797 G841 E858	W797-K843 HydrophobicContact CZ2-CG 4.4Å; G841-K843 PolarHBondContact O-N 2.86Å; K843-E858 WeakPolarHBondContact CG-OE1 3.27Å; K843-E858 IonicContact NZ-OE1 2.76Å; K843-E858 PolarHBondContact NZ-OE1 3.2Å
844	H	51.7	Low	47.2	Very low	103 Å²	103	89 Å²	89	48%	0.477	46%	0.462	S	S	.	.			trans	-147.3	155.6	-170.7	-56.8	128.8	0	0	0	112.7	G841 Y846	G841-H844 CarbonylContact C-O 3.35Å; G841-H844 WeakPolarHBondContact CA-O 3.26Å; G841-H844 PolarHBondContact N-O 2.87Å; G841-H844 PolarHBondContact O-N 3.1Å; G841-H844 VanDerWaalsContact O-O 3.11Å; H844-Y846 HydrophobicContact CB-CD2 4.39Å; H844-Y846 HydrophobicContact CB-CE1 4.43Å; H844-Y846 HydrophobicContact CB-CE2 3.63Å; H844-Y846 PolarHBondContact ND1-OH 2.79Å
845	S	49.7	Very low	47.3	Very low	77 Å²	77	90.4 Å²	90.4	54%	0.538	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.4	170.9	66.1	0	0	0	0	111.4	L839	L839-S845 WeakPolarHBondContact O-CA 3.47Å
846	Y	48.6	Very low	47.5	Very low	99 Å²	99	90 Å²	90	39%	0.388	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.6	-177.9	-58.5	-83.6	0	0	0	111	L839 H844	L839-Y846 PolarHBondContact N-O 3.18Å; L839-Y846 PolarHBondContact O-N 3.04Å; H844-Y846 HydrophobicContact CB-CD2 4.39Å; H844-Y846 HydrophobicContact CB-CE1 4.43Å; H844-Y846 HydrophobicContact CB-CE2 3.63Å; H844-Y846 PolarHBondContact ND1-OH 2.79Å
847	E	47.8	Very low	48.2	Very low	121 Å²	121	90.4 Å²	90.4	57%	0.565	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.5	171.2	-68.5	-177.3	179.3	0	0	108.7	K838	K838-E847 HydrophobicContact CD-CG 4.05Å; K838-E847 WeakPolarHBondContact CE-OE1 3.04Å; K838-E847 HydrophobicContact CG-CG 4.06Å; K838-E847 IonicContact NZ-OE1 3.58Å; K838-E847 PolarHBondContact NZ-OE1 3.46Å
848	I	49.8	Very low	48.9	Very low	33 Å²	33	89.5 Å²	89.5	17%	0.169	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.1	-169.9	-49.9	-165.9	0	0	0	109.4	K837 L839 E852	K837-I848 PolarHBondContact N-O 2.93Å; K837-I848 PolarHBondContact O-N 2.96Å; L839-I848 HydrophobicContact CD1-CD1 3.72Å; L839-I848 HydrophobicContact CD1-CG1 4.3Å; I848-E852 HydrophobicContact CG2-CB 4.44Å
849	P	42.9	Very low	50.1	Low	46 Å²	46	86.2 Å²	86.2	30%	0.299	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	152.5	170.6	-23	35	0	0	0	111.9	D851 W925	P849-D851 PolarHBondContact O-N 2.84Å; P849-D851 VanDerWaalsContact O-N 3.13Å; P849-W925 HydrophobicContact CG-CH2 3.78Å; P849-W925 HydrophobicContact CG-CZ3 3.98Å
850	V	49	Very low	51	Low	45 Å²	45	85.1 Å²	85.1	27%	0.273	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.1	-179.2	158.4	0	0	0	0	114	N835 K837	N835-V850 VanDerWaalsContact C-CG2 3.49Å; N835-V850 HydrophobicContact CB-CB 3.98Å; N835-V850 HydrophobicContact CB-CG2 3.7Å; N835-V850 WeakPolarHBondContact O-CG2 3.4Å; N835-V850 PolarHBondContact O-N 3.5Å; K837-V850 HydrophobicContact CD-CG2 4.32Å; K837-V850 HydrophobicContact CG-CG2 3.94Å; K837-V850 PolarHBondContact NZ-O 3.47Å
851	D	49.4	Very low	52.2	Low	144 Å²	144	84.7 Å²	84.7	77%	0.77	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.5	-164.5	-56.3	-33.8	0	0	0	115.3	P849	P849-D851 PolarHBondContact O-N 2.84Å; P849-D851 VanDerWaalsContact O-N 3.13Å
852	E	39.7	Very low	53.3	Low	122 Å²	122	86.8 Å²	86.8	57%	0.57	45%	0.453	S	S	*	.	S	Bend	trans	-102	148.7	177	-66.2	-167.4	162.2	0	0	113.3	I848	I848-E852 HydrophobicContact CG2-CB 4.44Å
853	N	45.9	Very low	54.3	Low	148 Å²	148	89.2 Å²	89.2	79%	0.791	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-74.7	139.2	-167.9	-146.5	26.3	0	0	0	110.8	Y855	N853-Y855 PolarHBondContact O-N 3.48Å
854	P	43.7	Very low	55.2	Low	107 Å²	107	86.4 Å²	86.4	70%	0.695	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-67.3	128.9	-174.1	26.7	-33.9	0	0	0	112.2
855	Y	42.4	Very low	56.1	Low	174 Å²	174	86.4 Å²	86.4	68%	0.682	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-63.6	149.8	174.6	-73.8	-92.4	0	0	0	111.8	N853	N853-Y855 PolarHBondContact O-N 3.48Å
856	P	49.6	Very low	56.9	Low	110 Å²	110	83.4 Å²	83.4	71%	0.714	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-64.4	153.3	174.1	28.8	-35.3	0	0	0	111.6
857	P	54.9	Low	57.5	Low	76 Å²	76	83.9 Å²	83.9	49%	0.494	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.9	142.9	-179.1	26	-34.9	0	0	0	111.8	V859	P857-V859 WeakPolarHBondContact O-CG2 2.92Å
858	E	59	Low	57.7	Low	48 Å²	48	82.9 Å²	82.9	22%	0.224	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-62.1	134.4	-178.9	-156.9	-171.3	155.6	0	0	110.7	W797 R820 C821 C842 K843	W797-E858 HydrophobicContact CH2-CG 4.13Å; R820-E858 CarbonylContact C-O 3.58Å; R820-E858 VanDerWaalsContact CA-O 3.28Å; R820-E858 WeakPolarHBondContact CA-O 3.34Å; C821-E858 HydrophobicContact CB-CB 3.67Å; C821-E858 PolarHBondContact N-O 3.34Å; C842-E858 PolarHBondContact N-OE2 3.36Å; K843-E858 WeakPolarHBondContact CG-OE1 3.27Å; K843-E858 IonicContact NZ-OE1 2.76Å; K843-E858 PolarHBondContact NZ-OE1 3.2Å
859	V	66.7	Low	57.8	Low	56 Å²	56	86.4 Å²	86.4	34%	0.339	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126	-178.8	-172.5	0	0	0	0	110.3	M818 R819 R820 P857 H889	M818-V859 HydrophobicContact CB-CG1 4.38Å; M818-V859 HydrophobicContact CE-CG1 3.78Å; R819-V859 CarbonylContact O-C 3.58Å; R819-V859 WeakPolarHBondContact O-CA 2.93Å; R820-V859 HydrophobicContact CG-CG2 4.34Å; P857-V859 WeakPolarHBondContact O-CG2 2.92Å; V859-H889 PolarHBondContact O-CE1 2.89Å
860	E	69	Low	58.1	Low	35 Å²	35	89.7 Å²	89.7	16%	0.164	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.3	173.4	-173.5	-175.8	151.2	0	0	110.4	W797 W800 M818 R819	W797-E860 HydrophobicContact CH2-CB 3.99Å; W797-E860 HydrophobicContact CZ3-CB 3.86Å; W800-E860 HydrophobicContact CH2-CG 4.03Å; W800-E860 WeakPolarHBondContact CH2-OE1 3.33Å; M818-E860 CarbonylContact C-O 3.55Å; M818-E860 WeakPolarHBondContact CA-O 3.32Å; R819-E860 HydrophobicContact CG-CB 3.9Å; R819-E860 IonicContact CZ-OE2 2.75Å; R819-E860 PolarHBondContact N-O 3.01Å; R819-E860 IonicContact NE-OE1 3.81Å; R819-E860 IonicContact NE-OE2 2.69Å; R819-E860 PolarHBondContact NE-OE2 2.92Å; R819-E860 IonicContact NH2-OE1 2.69Å; R819-E860 PolarHBondContact NH2-OE1 2.88Å; R819-E860 IonicContact NH2-OE2 3.56Å; R819-E860 PolarHBondContact NH2-OE2 2.85Å; R819-E860 PolarHBondContact O-N 3.23Å
861	L	76.1	Confident	58.2	Low	85 Å²	85	97.6 Å²	97.6	45%	0.445	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.9	178.4	-172.7	77.2	0	0	0	109.8	R817 M818 V863	R817-L861 WeakPolarHBondContact O-CA 3.49Å; M818-L861 HydrophobicContact CB-CD1 4.3Å; L861-V863 HydrophobicContact CD2-CG2 4.35Å
862	Q	74.7	Confident	58.3	Low	64 Å²	64	95.4 Å²	95.4	30%	0.299	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.7	169.6	-175.1	178.5	-5.1	0	0	110.2	W800 W803 T816 R817	W800-Q862 HydrophobicContact CH2-CB 3.76Å; W800-Q862 HydrophobicContact CZ3-CB 3.83Å; W803-Q862 HydrophobicContact CH2-CG 3.95Å; T816-Q862 CarbonylContact C-O 3.58Å; T816-Q862 VanDerWaalsContact CA-O 3.23Å; T816-Q862 WeakPolarHBondContact CA-O 3.41Å; R817-Q862 HydrophobicContact CG-CB 3.98Å; R817-Q862 VanDerWaalsContact CZ-OE1 3.26Å; R817-Q862 PolarHBondContact N-O 3.01Å; R817-Q862 PolarHBondContact O-N 2.74Å
863	V	75	Confident	58.6	Low	73 Å²	73	91.3 Å²	91.3	44%	0.442	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.5	-177.1	-172.6	0	0	0	0	108.8	I814 T816 L861	I814-V863 HydrophobicContact CG2-CG1 3.38Å; T816-V863 HydrophobicContact CG2-CG1 4.36Å; T816-V863 HydrophobicContact CG2-CG2 4.19Å; L861-V863 HydrophobicContact CD2-CG2 4.35Å
864	E	73.9	Confident	58.6	Low	48 Å²	48	90.4 Å²	90.4	22%	0.224	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.5	179	-175.5	-176.2	161.4	0	0	110.5	W803 I814 R815	W803-E864 HydrophobicContact CH2-CB 3.76Å; W803-E864 VanDerWaalsContact CH2-OE2 3.27Å; W803-E864 WeakPolarHBondContact CH2-OE2 3.39Å; W803-E864 HydrophobicContact CZ2-CB 4.49Å; W803-E864 WeakPolarHBondContact CZ2-OE2 3.41Å; W803-E864 HydrophobicContact CZ3-CB 3.93Å; I814-E864 WeakPolarHBondContact CA-O 3.3Å; R815-E864 HydrophobicContact CG-CB 3.97Å; R815-E864 IonicContact CZ-OE1 2.63Å; R815-E864 IonicContact CZ-OE2 2.73Å; R815-E864 PolarHBondContact N-O 3.21Å; R815-E864 VanDerWaalsContact NE-CD 3.28Å; R815-E864 IonicContact NE-OE1 3.3Å; R815-E864 IonicContact NE-OE2 2.63Å; R815-E864 PolarHBondContact NE-OE2 2.81Å; R815-E864 IonicContact NH2-OE1 3.59Å; R815-E864 PolarHBondContact NH2-OE1 3.35Å; R815-E864 IonicContact NH2-OE2 3.49Å; R815-E864 PolarHBondContact NH2-OE2 3.03Å; R815-E864 PolarHBondContact O-N 2.6Å
865	Q	70.5	Confident	58.4	Low	104 Å²	104	92.9 Å²	92.9	49%	0.486	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.5	174	-66.7	-175.8	0.6	0	0	110.4
866	C	67.4	Low	57.9	Low	13 Å²	13	93.5 Å²	93.5	9%	0.088	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124	175.1	-55.9	0	0	0	0	109.8	G813 C873	G813-C866 PolarHBondContact O-N 3.4Å; C866-C873 PolarHBondContact SG-SG 3.49Å
867	Q	60.5	Low	57.2	Low	109 Å²	109	94.9 Å²	94.9	51%	0.509	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-88	165.4	175	-67.7	-176	-30.2	0	0	112.2	N869 E1046	Q867-N869 PolarHBondContact O-N 2.88Å; Q867-N869 VanDerWaalsContact O-N 3.1Å; Q867-E1046 WeakPolarHBondContact CB-OE1 3.3Å
868	Q	51.9	Low	56	Low	101 Å²	101	96 Å²	96	47%	0.472	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	96.7	-161.2	-62.8	-174.3	22.5	0	0	112.5	H812	H812-Q868 PolarHBondContact NE2-NE2 2.92Å
869	N	51	Low	54.5	Low	106 Å²	106	97.4 Å²	97.4	57%	0.567	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.5	-16	136.4	-87	-44.8	0	0	0	114.1	Q867 R1042	Q867-N869 PolarHBondContact O-N 2.88Å; Q867-N869 VanDerWaalsContact O-N 3.1Å; N869-R1042 PolarHBondContact ND2-NE 3.49Å; N869-R1042 PolarHBondContact OD1-NH2 2.99Å
870	N	49.7	Very low	52.6	Low	116 Å²	116	97.6 Å²	97.6	62%	0.62	52%	0.518	S	S	*	.			trans	-100	124.8	-172.6	-87.6	-26.9	0	0	0	113.7	V872	N870-V872 PolarHBondContact O-N 2.92Å
871	K	51.5	Low	50.8	Low	211 Å²	211	100 Å²	100	92%	0.917	53%	0.534	S	S	*	.	S	Bend	trans	-70.3	-8.3	169.8	-72	-169.5	174.8	-173.1	0	114.3
872	V	51.2	Low	48.7	Very low	97 Å²	97	101.5 Å²	101.5	59%	0.588	54%	0.542	S	S	*	.	S	Bend	trans	-137.5	114.1	174.8	-168.9	0	0	0	0	107.8	N870 N874	N870-V872 PolarHBondContact O-N 2.92Å; V872-N874 VanDerWaalsContact CG1-OD1 3.32Å; V872-N874 WeakPolarHBondContact CG1-OD1 3.04Å; V872-N874 PolarHBondContact O-N 2.9Å
873	C	45.9	Very low	46.5	Very low	36 Å²	36	102.5 Å²	102.5	24%	0.243	56%	0.556	C	S	.	*			trans	-83.6	96.7	179.7	-27.3	0	0	0	0	108.8	R815 C866	R815-C873 PolarHBondContact NH1-O 2.66Å; R815-C873 PolarHBondContact NH2-O 2.99Å; C866-C873 PolarHBondContact SG-SG 3.49Å
874	N	47.1	Very low	44.4	Very low	129 Å²	129	104.5 Å²	104.5	69%	0.69	56%	0.561	S	S	*	*			trans	-87.1	141.7	176.2	-67.7	-9.9	0	0	0	110.5	V872 E876	V872-N874 VanDerWaalsContact CG1-OD1 3.32Å; V872-N874 WeakPolarHBondContact CG1-OD1 3.04Å; V872-N874 PolarHBondContact O-N 2.9Å; N874-E876 PolarHBondContact O-N 3.43Å
875	H	37.7	Very low	42.4	Very low	159 Å²	159	111.9 Å²	111.9	74%	0.736	59%	0.592	S	S	*	*	S	Bend	trans	-80.9	86.8	-179.1	-73.8	-78.2	0	0	0	112.1
876	E	31.9	Very low	40.7	Very low	188 Å²	188	111.9 Å²	111.9	88%	0.879	59%	0.592	S	S	*	*			trans	-160.9	40	174.8	-128.4	163.3	-132.1	0	0	117	N874	N874-E876 PolarHBondContact O-N 3.43Å
877	V	35.1	Very low	39	Very low	138 Å²	138	115.6 Å²	115.6	84%	0.836	61%	0.61	S	S	*	*			trans	-138.5	152.4	169.6	-172.6	0	0	0	0	110.8
878	S	29.8	Very low	37.6	Very low	99 Å²	99	119.3 Å²	119.3	69%	0.692	62%	0.621	S	S	*	*			trans	-105.2	152.7	-169.6	52.8	0	0	0	0	115.6
879	S	28.5	Very low	36.8	Very low	79 Å²	79	119 Å²	119	55%	0.552	62%	0.619	S	S	*	*			trans	72.2	128.9	156.7	67.4	0	0	0	0	121.7
880	S	27.5	Very low	35.7	Very low	60 Å²	60	122.3 Å²	122.3	42%	0.42	64%	0.636	S	S	.	*			trans	72.9	151.8	154.3	32	0	0	0	0	120.9
881	V	29.7	Very low	34.8	Very low	84 Å²	84	120.3 Å²	120.3	51%	0.509	64%	0.642	S	S	.	*			trans	83.2	134.8	167.9	-162.1	0	0	0	0	117.3	E1049	V881-E1049 HydrophobicContact CG2-CB 4.25Å; V881-E1049 VanDerWaalsContact CG2-OE2 3.27Å; V881-E1049 WeakPolarHBondContact CG2-OE2 3.38Å
882	L	32.3	Very low	33.9	Very low	118 Å²	118	116 Å²	116	62%	0.618	63%	0.626	S	S	*	*			trans	65.6	155.5	175	-64.3	138.3	0	0	0	118.4
883	S	28.1	Very low	33	Very low	84 Å²	84	118.7 Å²	118.7	59%	0.587	64%	0.642	S	S	*	*			cis	-179.6	145	-42.5	54.5	0	0	0	0	108.9
884	E	31.5	Very low	32.6	Very low	115 Å²	115	123.3 Å²	123.3	54%	0.537	66%	0.658	S	S	.	*			trans	22.8	106.8	174.3	-69.5	-158	164.4	0	0	119.4	Q886 R944	E884-Q886 PolarHBondContact O-N 3.45Å; E884-Q886 PolarHBondContact OE2-NE2 2.77Å; E884-R944 IonicContact OE1-CZ 3.91Å; E884-R944 IonicContact OE1-NH1 2.8Å; E884-R944 PolarHBondContact OE1-NH1 3.24Å; E884-R944 IonicContact OE2-NH1 3.42Å
885	K	32.1	Very low	32.6	Very low	204 Å²	204	119.3 Å²	119.3	89%	0.887	64%	0.637	S	S	*	*			trans	-76.7	112.9	155.3	-78.4	-175.1	178.7	178.4	0	110
886	Q	34	Very low	33	Very low	104 Å²	104	120.2 Å²	120.2	49%	0.486	64%	0.639	S	S	.	*			trans	-103.9	125.9	165.4	-63.8	-175.9	5.5	0	0	109.9	E884 Y888	E884-Q886 PolarHBondContact O-N 3.45Å; E884-Q886 PolarHBondContact OE2-NE2 2.77Å; Q886-Y888 HydrophobicContact CB-CE2 4.14Å; Q886-Y888 PolarHBondContact OE1-OH 2.85Å
887	I	32.9	Very low	34.5	Very low	90 Å²	90	113.9 Å²	113.9	46%	0.462	61%	0.607	S	S	.	*			trans	-119.4	127.3	169.8	-59.8	176.9	0	0	0	106.9
888	Y	31.3	Very low	36.4	Very low	187 Å²	187	110.2 Å²	110.2	73%	0.733	58%	0.583	S	S	*	*			trans	-112.2	122.8	177.2	-71.3	-84.9	0	0	0	109.7	Q886	Q886-Y888 HydrophobicContact CB-CE2 4.14Å; Q886-Y888 PolarHBondContact OE1-OH 2.85Å
889	H	33.6	Very low	38.6	Very low	95 Å²	95	112 Å²	112	44%	0.44	59%	0.585	S	S	.	*			trans	-99.7	137.6	162.6	-73.1	-89.4	0	0	0	109.3	V859	V859-H889 PolarHBondContact O-CE1 2.89Å
890	L	28.7	Very low	40.8	Very low	176 Å²	176	112.3 Å²	112.3	92%	0.921	57%	0.573	S	S	*	*			trans	-96.8	124.1	176.6	-118	74.3	0	0	0	109.1
891	G	30	Very low	43.3	Very low	73 Å²	73	114.1 Å²	114.1	75%	0.753	57%	0.574	S	S	*	*			trans	169.9	-36.3	167.8	0	0	0	0	0	116.5
892	E	33	Very low	45.6	Very low	122 Å²	122	117.6 Å²	117.6	57%	0.57	59%	0.589	S	S	*	*			trans	-111	135.8	-150.6	-64.7	164.6	106.4	0	0	114	F894	E892-F894 HydrophobicContact CB-CD1 4.41Å; E892-F894 HydrophobicContact CB-CD2 3.65Å; E892-F894 HydrophobicContact CB-CE1 4.15Å; E892-F894 HydrophobicContact CB-CE2 3.38Å; E892-F894 HydrophobicContact CB-CG 4.17Å; E892-F894 HydrophobicContact CB-CZ 3.65Å; E892-F894 HydrophobicContact CG-CE2 4.08Å; E892-F894 HydrophobicContact CG-CZ 4.06Å; E892-F894 PolarHBondContact O-N 2.9Å; E892-F894 WeakPolarHBondContact OE1-CZ 3.34Å; E892-F894 VanDerWaalsContact OE2-CE2 3.26Å; E892-F894 WeakPolarHBondContact OE2-CE2 3.28Å; E892-F894 WeakPolarHBondContact OE2-CZ 3.09Å
893	T	31.5	Very low	47.8	Very low	153 Å²	153	113 Å²	113	94%	0.939	57%	0.567	S	S	*	*			trans	-80.6	57.8	-180	52.2	0	0	0	0	112
894	F	37.5	Very low	49.9	Very low	132 Å²	132	113.4 Å²	113.4	58%	0.579	57%	0.57	S	S	*	*			trans	-66.7	160.8	-174.5	-75	-53.3	0	0	0	114.5	E892 K896	E892-F894 HydrophobicContact CB-CD1 4.41Å; E892-F894 HydrophobicContact CB-CD2 3.65Å; E892-F894 HydrophobicContact CB-CE1 4.15Å; E892-F894 HydrophobicContact CB-CE2 3.38Å; E892-F894 HydrophobicContact CB-CG 4.17Å; E892-F894 HydrophobicContact CB-CZ 3.65Å; E892-F894 HydrophobicContact CG-CE2 4.08Å; E892-F894 HydrophobicContact CG-CZ 4.06Å; E892-F894 PolarHBondContact O-N 2.9Å; E892-F894 WeakPolarHBondContact OE1-CZ 3.34Å; E892-F894 VanDerWaalsContact OE2-CE2 3.26Å; E892-F894 WeakPolarHBondContact OE2-CE2 3.28Å; E892-F894 WeakPolarHBondContact OE2-CZ 3.09Å; F894-K896 PolarHBondContact O-N 2.91Å
895	L	48.5	Very low	51.2	Low	46 Å²	46	108.8 Å²	108.8	24%	0.241	55%	0.551	C	S	.	*			trans	-45.7	108.7	163.1	-67.3	172	0	0	0	109.4	W897 L916 M922 C933	L895-W897 PolarHBondContact O-N 3.28Å; L895-W897 VanDerWaalsContact O-N 3.08Å; L895-L916 HydrophobicContact CB-CD1 3.64Å; L895-L916 HydrophobicContact CB-CG 4.27Å; L895-L916 HydrophobicContact CD1-CD2 4.41Å; L895-L916 VanDerWaalsContact O-CD1 3.24Å; L895-L916 WeakPolarHBondContact O-CD1 3.4Å; L895-M922 HydrophobicContact CD1-CE 3.56Å; L895-M922 HydrophobicContact CD2-CE 4Å; L895-M922 HydrophobicContact CG-CE 3.7Å; L895-C933 HydrophobicContact CD1-CB 4.43Å; L895-C933 WeakPolarHBondContact CD1-SG 3.37Å
896	K	44.9	Very low	52.7	Low	178 Å²	178	106.9 Å²	106.9	77%	0.774	54%	0.543	S	S	*	.			trans	-77.6	104.1	-175.1	-171.9	170.6	-178.2	179.9	0	109.4	F894 N898	F894-K896 PolarHBondContact O-N 2.91Å; K896-N898 PolarHBondContact O-N 3.01Å
897	W	64.7	Low	53.9	Low	55 Å²	55	103.1 Å²	103.1	21%	0.208	53%	0.528	C	S	.	.			trans	-42.5	130.1	157.8	-76.6	97.3	0	0	0	109	L895 R914 L916 I940 D942	L895-W897 PolarHBondContact O-N 3.28Å; L895-W897 VanDerWaalsContact O-N 3.08Å; W897-R914 VanDerWaalsContact CD1-NH1 3.35Å; W897-R914 HydrophobicContact CD2-CG 4.3Å; W897-R914 HydrophobicContact CE3-CB 4.11Å; W897-R914 HydrophobicContact CE3-CG 3.48Å; W897-R914 VanDerWaalsContact CE3-CG 3.48Å; W897-R914 HydrophobicContact CZ3-CG 3.82Å; W897-L916 HydrophobicContact CB-CD1 4.41Å; W897-L916 HydrophobicContact CD2-CB 3.84Å; W897-L916 HydrophobicContact CD2-CD1 3.94Å; W897-L916 HydrophobicContact CD2-CG 4.35Å; W897-L916 HydrophobicContact CE3-CB 3.67Å; W897-L916 HydrophobicContact CG-CD1 3.85Å; W897-L916 HydrophobicContact CH2-CB 3.83Å; W897-L916 HydrophobicContact CZ2-CB 3.99Å; W897-L916 HydrophobicContact CZ2-CD2 3.95Å; W897-L916 HydrophobicContact CZ2-CG 4.46Å; W897-L916 HydrophobicContact CZ3-CB 3.67Å; W897-I940 HydrophobicContact CH2-CG2 4.23Å; W897-D942 HydrophobicContact CH2-CB 3.58Å; W897-D942 HydrophobicContact CZ2-CB 4.46Å; W897-D942 HydrophobicContact CZ3-CB 3.61Å
898	N	74.3	Confident	54.9	Low	61 Å²	61	99.7 Å²	99.7	33%	0.326	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-63.1	161.9	170.7	71	12.9	0	0	0	110	K896 W900 R914 N915	K896-N898 PolarHBondContact O-N 3.01Å; N898-W900 PolarHBondContact O-N 2.84Å; N898-R914 VanDerWaalsContact OD1-CA 3.3Å; N898-R914 WeakPolarHBondContact OD1-CA 3.34Å; N898-R914 WeakPolarHBondContact OD1-CB 3.33Å; N898-N915 PolarHBondContact N-O 3.02Å; N898-N915 WeakPolarHBondContact ND2-CB 3.17Å; N898-N915 PolarHBondContact OD1-N 3.44Å; N898-N915 PolarHBondContact OD1-O 3.05Å
899	N	75.6	Confident	56.3	Low	137 Å²	137	96.9 Å²	96.9	73%	0.733	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-57.6	141	173.6	-66.4	-1.1	0	0	0	108.6	K901	N899-K901 PolarHBondContact O-N 3.23Å
900	W	76	Confident	58.1	Low	84 Å²	84	92.6 Å²	92.6	32%	0.318	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-47.5	127.1	167.3	-69	103.4	0	0	0	109.4	N898 K912 R914 D942 R944	N898-W900 PolarHBondContact O-N 2.84Å; W900-K912 HydrophobicContact CD2-CD 3.86Å; W900-K912 HydrophobicContact CD2-CG 4.13Å; W900-K912 HydrophobicContact CE3-CB 3.82Å; W900-K912 HydrophobicContact CE3-CD 3.83Å; W900-K912 HydrophobicContact CE3-CG 3.55Å; W900-K912 HydrophobicContact CG-CD 4.2Å; W900-K912 HydrophobicContact CZ3-CB 4.42Å; W900-K912 HydrophobicContact CZ3-CD 4.33Å; W900-K912 HydrophobicContact CZ3-CG 3.84Å; W900-K912 WeakPolarHBondContact CZ3-O 3.37Å; W900-R914 HydrophobicContact CD2-CB 4.12Å; W900-R914 HydrophobicContact CD2-CG 3.98Å; W900-R914 HydrophobicContact CE3-CB 3.92Å; W900-R914 HydrophobicContact CE3-CG 3.75Å; W900-R914 HydrophobicContact CH2-CG 3.81Å; W900-R914 HydrophobicContact CZ2-CG 4.06Å; W900-R914 VanDerWaalsContact CZ2-NE 3.26Å; W900-R914 HydrophobicContact CZ3-CB 4.3Å; W900-R914 HydrophobicContact CZ3-CG 3.66Å; W900-D942 HydrophobicContact CH2-CB 4.42Å; W900-D942 WeakPolarHBondContact CH2-OD2 3.08Å; W900-D942 WeakPolarHBondContact CZ3-O 3.5Å; W900-R944 HydrophobicContact CH2-CB 3.8Å; W900-R944 HydrophobicContact CH2-CG 3.6Å; W900-R944 HydrophobicContact CZ2-CG 4.27Å; W900-R944 HydrophobicContact CZ3-CB 4.09Å; W900-R944 HydrophobicContact CZ3-CG 4.34Å
901	K	78.9	Confident	59.9	Low	98 Å²	98	90 Å²	90	43%	0.426	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-59.6	153.2	163.2	-55.6	-170.1	-160.6	88.8	0	108.2	N899 T913 N915	N899-K901 PolarHBondContact O-N 3.23Å; K901-T913 WeakPolarHBondContact CD-OG1 3.27Å; K901-T913 WeakPolarHBondContact CG-O 3.34Å; K901-T913 PolarHBondContact N-O 3.18Å; K901-T913 PolarHBondContact NZ-OG1 3.36Å; K901-N915 PolarHBondContact NZ-OD1 3.31Å
902	D	77.8	Confident	62.3	Low	157 Å²	157	89.5 Å²	89.5	84%	0.84	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-50.8	147.2	173.9	-57.7	-62.3	0	0	0	110.9	S904	D902-S904 PolarHBondContact O-N 2.72Å
903	C	78.7	Confident	64.3	Low	22 Å²	22	85.4 Å²	85.4	15%	0.149	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-58.2	134	177.9	-166.9	0	0	0	0	109.7	A905 G910 C946 N948	C903-A905 CarbonylContact O-C 3.49Å; C903-A905 PolarHBondContact O-N 3.48Å; C903-G910 VanDerWaalsContact SG-CA 3.59Å; C903-C946 VanDerWaalsContact CA-SG 3.53Å; C903-C946 HydrophobicContact CB-CB 3.99Å; C903-C946 WeakPolarHBondContact CB-SG 3.3Å; C903-C946 WeakPolarHBondContact SG-CB 3.33Å; C903-C946 PolarHBondContact SG-O 3.09Å; C903-C946 CovalentContact SG-SG 2.03Å; C903-C946 PolarHBondContact SG-SG 2.84Å; C903-N948 WeakPolarHBondContact CB-ND2 3.17Å
904	S	73.4	Confident	66.7	Low	92 Å²	92	80.2 Å²	80.2	64%	0.643	40%	0.401	S	S	*	.	S	Bend	trans	-63.4	-15.3	-174	68.3	0	0	0	0	114.4	D902 M911	D902-S904 PolarHBondContact O-N 2.72Å; S904-M911 VanDerWaalsContact CB-O 3.31Å; S904-M911 WeakPolarHBondContact CB-O 3.35Å; S904-M911 PolarHBondContact N-O 2.05Å; S904-M911 PolarHBondContact OG-N 3.1Å; S904-M911 PolarHBondContact OG-O 3.47Å
905	A	58.3	Low	68.3	Low	18 Å²	18	74.8 Å²	74.8	15%	0.149	38%	0.378	C	S	.	.	S	Bend	trans	-116.7	136.4	166	0	0	0	0	0	109.2	C903 C907 N948 E1002	C903-A905 CarbonylContact O-C 3.49Å; C903-A905 PolarHBondContact O-N 3.48Å; A905-C907 VanDerWaalsContact C-N 3.25Å; A905-C907 WeakPolarHBondContact CB-O 3.3Å; A905-C907 PolarHBondContact O-N 2.84Å; A905-N948 PolarHBondContact O-ND2 2.93Å; A905-E1002 WeakPolarHBondContact CA-OE2 3.22Å
906	K	62.2	Low	69.2	Low	165 Å²	165	72.9 Å²	72.9	72%	0.717	37%	0.368	S	S	*	.	S	Bend	trans	-75.9	-15.2	177.6	-56.9	-172.5	-159.5	86	0	112.6	E1002	K906-E1002 WeakPolarHBondContact CD-OE1 3.29Å; K906-E1002 VanDerWaalsContact CG-OE1 3.29Å; K906-E1002 WeakPolarHBondContact CG-OE1 3.22Å; K906-E1002 PolarHBondContact N-OE2 3.06Å; K906-E1002 IonicContact NZ-OE1 2.65Å; K906-E1002 PolarHBondContact NZ-OE1 3.44Å
907	C	60	Low	70.2	Confident	24 Å²	24	69.6 Å²	69.6	16%	0.162	36%	0.358	C	S	.	.	S	Bend	trans	-143.4	158.1	174.1	68.2	0	0	0	0	110.3	A905 F949 C951	A905-C907 VanDerWaalsContact C-N 3.25Å; A905-C907 WeakPolarHBondContact CB-O 3.3Å; A905-C907 PolarHBondContact O-N 2.84Å; C907-F949 CarbonylContact C-O 3.49Å; C907-F949 WeakPolarHBondContact CA-O 3.15Å; C907-F949 WeakPolarHBondContact CB-O 3.02Å; C907-C951 HydrophobicContact CB-CB 3.84Å; C907-C951 WeakPolarHBondContact CB-SG 3.37Å; C907-C951 PolarHBondContact O-SG 3.13Å; C907-C951 VanDerWaalsContact O-SG 3.36Å; C907-C951 WeakPolarHBondContact SG-CA 3.43Å; C907-C951 WeakPolarHBondContact SG-CB 3.42Å; C907-C951 CovalentContact SG-SG 2.04Å; C907-C951 PolarHBondContact SG-SG 2.83Å
908	G	55.1	Low	70	Confident	19 Å²	19	67.2 Å²	67.2	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	63.8	-152.5	179.6	0	0	0	0	0	113.6	G910 E947 N948 F949	G908-G910 PolarHBondContact O-N 3.4Å; G908-E947 WeakPolarHBondContact O-CA 3.43Å; G908-N948 PolarHBondContact N-O 2.86Å; G908-N948 PolarHBondContact O-N 2.98Å; G908-F949 PolarHBondContact N-O 3.38Å
909	I	59.7	Low	69	Low	128 Å²	128	67.2 Å²	67.2	66%	0.656	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	108.9	-173.6	-53.3	176.8	0	0	0	110	I945 E947	I909-I945 HydrophobicContact CG2-CG2 3.56Å; I909-E947 HydrophobicContact CG1-CG 4.09Å
910	G	71.3	Confident	67.6	Low	5 Å²	5	64.5 Å²	64.5	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-173.1	167.9	0	0	0	0	0	112.6	C903 G908 I945 C946	C903-G910 VanDerWaalsContact SG-CA 3.59Å; G908-G910 PolarHBondContact O-N 3.4Å; G910-I945 WeakPolarHBondContact O-CA 3.34Å; G910-C946 PolarHBondContact N-O 3.27Å; G910-C946 PolarHBondContact O-N 2.94Å; G910-C946 PolarHBondContact O-SG 3.33Å; G910-C946 VanDerWaalsContact O-SG 3.41Å
911	M	66.5	Low	66	Low	122 Å²	122	67.1 Å²	67.1	60%	0.601	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.9	171.5	-54.8	-177.8	-155.7	0	0	109.8	S904 R944	S904-M911 VanDerWaalsContact CB-O 3.31Å; S904-M911 WeakPolarHBondContact CB-O 3.35Å; S904-M911 PolarHBondContact N-O 2.05Å; S904-M911 PolarHBondContact OG-N 3.1Å; S904-M911 PolarHBondContact OG-O 3.47Å; M911-R944 WeakPolarHBondContact CA-O 3.36Å
912	K	81	Confident	63.9	Low	61 Å²	61	67.5 Å²	67.5	27%	0.265	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.7	168.9	53.8	-179.7	175.9	-167.5	0	108.6	W900 R944 C946	W900-K912 HydrophobicContact CD2-CD 3.86Å; W900-K912 HydrophobicContact CD2-CG 4.13Å; W900-K912 HydrophobicContact CE3-CB 3.82Å; W900-K912 HydrophobicContact CE3-CD 3.83Å; W900-K912 HydrophobicContact CE3-CG 3.55Å; W900-K912 HydrophobicContact CG-CD 4.2Å; W900-K912 HydrophobicContact CZ3-CB 4.42Å; W900-K912 HydrophobicContact CZ3-CD 4.33Å; W900-K912 HydrophobicContact CZ3-CG 3.84Å; W900-K912 WeakPolarHBondContact CZ3-O 3.37Å; K912-R944 HydrophobicContact CG-CB 4.17Å; K912-R944 WeakPolarHBondContact CG-O 3.39Å; K912-R944 PolarHBondContact N-O 2.79Å; K912-R944 PolarHBondContact O-N 3.14Å; K912-C946 HydrophobicContact CB-CB 4.4Å; K912-C946 HydrophobicContact CD-CB 3.92Å; K912-C946 HydrophobicContact CG-CB 3.94Å; K912-C946 PolarHBondContact N-SG 2.66Å
913	T	74.7	Confident	62.1	Low	36 Å²	36	66 Å²	66	22%	0.221	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.5	179.3	56	0	0	0	0	111.1	K901 V941 D942 T943	K901-T913 WeakPolarHBondContact CD-OG1 3.27Å; K901-T913 WeakPolarHBondContact CG-O 3.34Å; K901-T913 PolarHBondContact N-O 3.18Å; K901-T913 PolarHBondContact NZ-OG1 3.36Å; T913-V941 HydrophobicContact CG2-CG1 4.3Å; T913-D942 WeakPolarHBondContact CA-O 3.24Å; T913-T943 HydrophobicContact CG2-CG2 3.75Å
914	R	81	Confident	60	Low	45 Å²	45	74.5 Å²	74.5	17%	0.17	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.4	166.5	59	175.6	-179	149.9	6.8	109.8	W897 N898 W900 V941 D942	W897-R914 VanDerWaalsContact CD1-NH1 3.35Å; W897-R914 HydrophobicContact CD2-CG 4.3Å; W897-R914 HydrophobicContact CE3-CB 4.11Å; W897-R914 HydrophobicContact CE3-CG 3.48Å; W897-R914 VanDerWaalsContact CE3-CG 3.48Å; W897-R914 HydrophobicContact CZ3-CG 3.82Å; N898-R914 VanDerWaalsContact OD1-CA 3.3Å; N898-R914 WeakPolarHBondContact OD1-CA 3.34Å; N898-R914 WeakPolarHBondContact OD1-CB 3.33Å; W900-R914 HydrophobicContact CD2-CB 4.12Å; W900-R914 HydrophobicContact CD2-CG 3.98Å; W900-R914 HydrophobicContact CE3-CB 3.92Å; W900-R914 HydrophobicContact CE3-CG 3.75Å; W900-R914 HydrophobicContact CH2-CG 3.81Å; W900-R914 HydrophobicContact CZ2-CG 4.06Å; W900-R914 VanDerWaalsContact CZ2-NE 3.26Å; W900-R914 HydrophobicContact CZ3-CB 4.3Å; W900-R914 HydrophobicContact CZ3-CG 3.66Å; R914-V941 WeakPolarHBondContact O-CA 3.4Å; R914-D942 HydrophobicContact CG-CB 3.87Å; R914-D942 IonicContact CZ-OD2 3.51Å; R914-D942 PolarHBondContact N-O 3.04Å; R914-D942 IonicContact NE-OD2 2.63Å; R914-D942 PolarHBondContact NE-OD2 2.99Å; R914-D942 IonicContact NH2-OD2 3.59Å; R914-D942 PolarHBondContact NH2-OD2 3.39Å; R914-D942 PolarHBondContact O-N 3.16Å
915	N	71.9	Confident	58.3	Low	18 Å²	18	79 Å²	79	10%	0.096	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	179.9	-51.4	20.6	0	0	0	110	N898 K901 E939 I940	N898-N915 PolarHBondContact N-O 3.02Å; N898-N915 WeakPolarHBondContact ND2-CB 3.17Å; N898-N915 PolarHBondContact OD1-N 3.44Å; N898-N915 PolarHBondContact OD1-O 3.05Å; K901-N915 PolarHBondContact NZ-OD1 3.31Å; N915-E939 VanDerWaalsContact CB-OE1 3.32Å; N915-E939 WeakPolarHBondContact CB-OE1 3.45Å; N915-E939 PolarHBondContact ND2-OE1 3.48Å; N915-E939 PolarHBondContact ND2-OE2 3.24Å; N915-I940 CarbonylContact C-O 3.46Å; N915-I940 VanDerWaalsContact CA-O 3.23Å; N915-I940 WeakPolarHBondContact CA-O 3.46Å
916	L	68.1	Low	57.4	Low	6 Å²	6	82.3 Å²	82.3	3%	0.031	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.7	168.8	-170.7	66.4	0	0	0	109	L895 W897 E939 I940	L895-L916 HydrophobicContact CB-CD1 3.64Å; L895-L916 HydrophobicContact CB-CG 4.27Å; L895-L916 HydrophobicContact CD1-CD2 4.41Å; L895-L916 VanDerWaalsContact O-CD1 3.24Å; L895-L916 WeakPolarHBondContact O-CD1 3.4Å; W897-L916 HydrophobicContact CB-CD1 4.41Å; W897-L916 HydrophobicContact CD2-CB 3.84Å; W897-L916 HydrophobicContact CD2-CD1 3.94Å; W897-L916 HydrophobicContact CD2-CG 4.35Å; W897-L916 HydrophobicContact CE3-CB 3.67Å; W897-L916 HydrophobicContact CG-CD1 3.85Å; W897-L916 HydrophobicContact CH2-CB 3.83Å; W897-L916 HydrophobicContact CZ2-CB 3.99Å; W897-L916 HydrophobicContact CZ2-CD2 3.95Å; W897-L916 HydrophobicContact CZ2-CG 4.46Å; W897-L916 HydrophobicContact CZ3-CB 3.67Å; L916-E939 CarbonylContact O-C 3.53Å; L916-E939 VanDerWaalsContact O-CA 3.32Å; L916-E939 WeakPolarHBondContact O-CA 3.32Å; L916-I940 HydrophobicContact CB-CB 4.29Å; L916-I940 HydrophobicContact CB-CD1 4.2Å; L916-I940 HydrophobicContact CD2-CD1 3.88Å; L916-I940 HydrophobicContact CG-CD1 4.36Å; L916-I940 PolarHBondContact N-O 3.04Å; L916-I940 PolarHBondContact O-N 3.37Å
917	I	65.4	Low	56.3	Low	109 Å²	109	82 Å²	82	56%	0.559	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.5	-179.5	-56.2	171.8	0	0	0	108.9	S919 E939	I917-S919 PolarHBondContact O-N 2.95Å; I917-S919 VanDerWaalsContact O-N 3.15Å; I917-E939 HydrophobicContact CG1-CG 4.18Å
918	C	60	Low	55.2	Low	5 Å²	5	84.7 Å²	84.7	3%	0.034	43%	0.433	C	S	.	.			trans	-75.8	99.4	-179.7	-56.3	0	0	0	0	111.1	C933 I935 N937 S938 I940	C918-C933 HydrophobicContact CB-CB 3.97Å; C918-C933 WeakPolarHBondContact CB-SG 3.5Å; C918-C933 WeakPolarHBondContact SG-CB 3.37Å; C918-C933 CovalentContact SG-SG 2.05Å; C918-C933 PolarHBondContact SG-SG 3.36Å; C918-I935 WeakPolarHBondContact CB-O 3.39Å; C918-N937 VanDerWaalsContact O-CA 3.31Å; C918-N937 WeakPolarHBondContact O-CA 3.25Å; C918-N937 PolarHBondContact O-N 2.91Å; C918-S938 PolarHBondContact N-O 3.43Å; C918-I940 WeakPolarHBondContact SG-CD1 3.27Å
919	S	52.8	Low	54.4	Low	60 Å²	60	88.5 Å²	88.5	42%	0.42	45%	0.448	S	S	.	.			trans	-76.5	154.7	-177.1	-176.3	0	0	0	0	114.1	I917 N921	I917-S919 PolarHBondContact O-N 2.95Å; I917-S919 VanDerWaalsContact O-N 3.15Å; S919-N921 VanDerWaalsContact C-N 3.34Å; S919-N921 PolarHBondContact O-N 2.9Å
920	T	46.6	Very low	53.5	Low	81 Å²	81	86.2 Å²	86.2	50%	0.497	44%	0.444	S	S	.	.	S	Bend	trans	-73.5	-13.9	-178.6	51.1	0	0	0	0	115.7	M922 I936 N937	T920-M922 VanDerWaalsContact C-N 3.31Å; T920-M922 PolarHBondContact O-N 3.27Å; T920-I936 HydrophobicContact CG2-CG2 3.73Å; T920-N937 WeakPolarHBondContact CG2-ND2 3.34Å; T920-N937 WeakPolarHBondContact CG2-OD1 3.48Å
921	N	43.4	Very low	52.3	Low	139 Å²	139	91 Å²	91	74%	0.743	48%	0.477	S	S	*	.			trans	-90.9	28.1	-169.3	-79.3	18.5	0	0	0	114.6	S919	S919-N921 VanDerWaalsContact C-N 3.34Å; S919-N921 PolarHBondContact O-N 2.9Å
922	M	35	Very low	51.6	Low	105 Å²	105	91 Å²	91	52%	0.517	48%	0.476	S	S	.	.			trans	-67	132.3	168.9	-70.2	-65.8	-170.7	0	0	110.1	L895 T920 D926	L895-M922 HydrophobicContact CD1-CE 3.56Å; L895-M922 HydrophobicContact CD2-CE 4Å; L895-M922 HydrophobicContact CG-CE 3.7Å; T920-M922 VanDerWaalsContact C-N 3.31Å; T920-M922 PolarHBondContact O-N 3.27Å; M922-D926 HydrophobicContact SD-CB 4.36Å
923	N	38.9	Very low	50.1	Low	127 Å²	127	89.9 Å²	89.9	68%	0.679	48%	0.475	S	S	*	.			trans	-83.9	167	178.5	-81.2	-48.4	0	0	0	110.9	W925 D926	N923-W925 PolarHBondContact O-N 3.1Å; N923-D926 WeakPolarHBondContact CA-OD2 3.12Å; N923-D926 PolarHBondContact N-OD2 2.78Å; N923-D926 PolarHBondContact O-N 2.89Å
924	K	34.8	Very low	49.1	Very low	199 Å²	199	93 Å²	93	87%	0.865	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	14.7	-166.4	-142.1	179.6	-176.6	-176.1	0	115.3
925	W	38.5	Very low	47.6	Very low	186 Å²	186	93.2 Å²	93.2	71%	0.705	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-12.7	-170.8	-68.2	65	0	0	0	112.6	P849 N923 Q927	P849-W925 HydrophobicContact CG-CH2 3.78Å; P849-W925 HydrophobicContact CG-CZ3 3.98Å; N923-W925 PolarHBondContact O-N 3.1Å; W925-Q927 VanDerWaalsContact C-N 3.26Å; W925-Q927 PolarHBondContact O-N 3.29Å
926	D	39.6	Very low	46.7	Very low	89 Å²	89	98.1 Å²	98.1	48%	0.476	53%	0.527	S	S	.	.			trans	-83.8	36.3	-167.5	-50.2	-37	0	0	0	114.2	M922 N923	M922-D926 HydrophobicContact SD-CB 4.36Å; N923-D926 WeakPolarHBondContact CA-OD2 3.12Å; N923-D926 PolarHBondContact N-OD2 2.78Å; N923-D926 PolarHBondContact O-N 2.89Å
927	Q	37.3	Very low	46	Very low	157 Å²	157	103.6 Å²	103.6	73%	0.734	56%	0.556	S	S	*	*			trans	-87.4	-11.9	-165.9	-69.1	-165.3	-31.9	0	0	116.3	W925 S930	W925-Q927 VanDerWaalsContact C-N 3.26Å; W925-Q927 PolarHBondContact O-N 3.29Å; Q927-S930 WeakPolarHBondContact O-CB 3.47Å; Q927-S930 PolarHBondContact O-OG 2.86Å
928	S	38	Very low	45.2	Very low	82 Å²	82	99.3 Å²	99.3	57%	0.573	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-32.9	-172.1	51.4	0	0	0	0	115.4
929	D	37.6	Very low	45.3	Very low	98 Å²	98	104.4 Å²	104.4	52%	0.524	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.4	27.5	-176.9	-72.5	-80.1	0	0	0	113.1	S931	D929-S931 PolarHBondContact O-N 3Å
930	S	41.7	Very low	45.5	Very low	80 Å²	80	103.8 Å²	103.8	56%	0.559	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	3.7	-173.2	51	0	0	0	0	115.6	Q927 Q932	Q927-S930 WeakPolarHBondContact O-CB 3.47Å; Q927-S930 PolarHBondContact O-OG 2.86Å; S930-Q932 PolarHBondContact O-N 3.21Å
931	S	46.4	Very low	46.4	Very low	107 Å²	107	103.7 Å²	103.7	75%	0.748	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.7	-179.7	60	0	0	0	0	114.6	D929	D929-S931 PolarHBondContact O-N 3Å
932	Q	50.8	Low	47.5	Very low	122 Å²	122	98.7 Å²	98.7	57%	0.57	52%	0.523	S	S	*	.	S	Bend	trans	-95.6	-40.1	-175.4	-61.7	-172.7	20.9	0	0	113.8	S930 I940	S930-Q932 PolarHBondContact O-N 3.21Å; Q932-I940 WeakPolarHBondContact O-CD1 3.47Å
933	C	49.7	Very low	48.9	Very low	36 Å²	36	98 Å²	98	24%	0.243	53%	0.525	C	S	.	.			trans	-105.1	79.9	176.5	-87.5	0	0	0	0	111.9	L895 C918 I935 I940	L895-C933 HydrophobicContact CD1-CB 4.43Å; L895-C933 WeakPolarHBondContact CD1-SG 3.37Å; C918-C933 HydrophobicContact CB-CB 3.97Å; C918-C933 WeakPolarHBondContact CB-SG 3.5Å; C918-C933 WeakPolarHBondContact SG-CB 3.37Å; C918-C933 CovalentContact SG-SG 2.05Å; C918-C933 PolarHBondContact SG-SG 3.36Å; C933-I935 PolarHBondContact O-N 2.77Å; C933-I940 HydrophobicContact CB-CD1 4.39Å; C933-I940 VanDerWaalsContact SG-CD1 3.55Å
934	S	53.6	Low	50.3	Low	101 Å²	101	96.3 Å²	96.3	71%	0.706	51%	0.509	S	S	*	.			trans	-70.7	-14.3	174.6	57.7	0	0	0	0	114.3
935	I	49.8	Very low	51.8	Low	51 Å²	51	92.9 Å²	92.9	26%	0.262	50%	0.499	S	S	.	.	S	Bend	trans	-135.9	123.2	-170.5	-54.2	145.4	0	0	0	109.6	K615 C918 C933 S938	K615-I935 HydrophobicContact CD-CD1 4.33Å; K615-I935 HydrophobicContact CD-CG1 4.03Å; K615-I935 HydrophobicContact CD-CG2 4.34Å; K615-I935 VanDerWaalsContact NZ-CD1 3.27Å; C918-I935 WeakPolarHBondContact CB-O 3.39Å; C933-I935 PolarHBondContact O-N 2.77Å; I935-S938 PolarHBondContact O-OG 2.74Å
936	I	52.6	Low	53.4	Low	121 Å²	121	84.6 Å²	84.6	62%	0.621	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	137.3	173.1	-57.1	172.2	0	0	0	108.7	T920 S938	T920-I936 HydrophobicContact CG2-CG2 3.73Å; I936-S938 VanDerWaalsContact C-N 3.33Å
937	N	52.6	Low	54.5	Low	120 Å²	120	87.9 Å²	87.9	64%	0.642	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	24.4	-171.4	-63.6	-37	0	0	0	115.8	C918 T920	C918-N937 VanDerWaalsContact O-CA 3.31Å; C918-N937 WeakPolarHBondContact O-CA 3.25Å; C918-N937 PolarHBondContact O-N 2.91Å; T920-N937 WeakPolarHBondContact CG2-ND2 3.34Å; T920-N937 WeakPolarHBondContact CG2-OD1 3.48Å
938	S	49	Very low	55.6	Low	19 Å²	19	83.3 Å²	83.3	13%	0.133	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-91	154.1	163.8	62.7	0	0	0	0	112.8	C918 I935 I936	C918-S938 PolarHBondContact N-O 3.43Å; I935-S938 PolarHBondContact O-OG 2.74Å; I936-S938 VanDerWaalsContact C-N 3.33Å
939	E	61.6	Low	56.5	Low	112 Å²	112	88.1 Å²	88.1	52%	0.523	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.3	149.9	-64.4	-161.3	102.8	0	0	109.9	N915 L916 I917	N915-E939 VanDerWaalsContact CB-OE1 3.32Å; N915-E939 WeakPolarHBondContact CB-OE1 3.45Å; N915-E939 PolarHBondContact ND2-OE1 3.48Å; N915-E939 PolarHBondContact ND2-OE2 3.24Å; L916-E939 CarbonylContact O-C 3.53Å; L916-E939 VanDerWaalsContact O-CA 3.32Å; L916-E939 WeakPolarHBondContact O-CA 3.32Å; I917-E939 HydrophobicContact CG1-CG 4.18Å
940	I	57.1	Low	57	Low	47 Å²	47	90 Å²	90	24%	0.241	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.9	162.2	-56.4	135	0	0	0	107.3	W897 N915 L916 C918 Q932 C933	W897-I940 HydrophobicContact CH2-CG2 4.23Å; N915-I940 CarbonylContact C-O 3.46Å; N915-I940 VanDerWaalsContact CA-O 3.23Å; N915-I940 WeakPolarHBondContact CA-O 3.46Å; L916-I940 HydrophobicContact CB-CB 4.29Å; L916-I940 HydrophobicContact CB-CD1 4.2Å; L916-I940 HydrophobicContact CD2-CD1 3.88Å; L916-I940 HydrophobicContact CG-CD1 4.36Å; L916-I940 PolarHBondContact N-O 3.04Å; L916-I940 PolarHBondContact O-N 3.37Å; C918-I940 WeakPolarHBondContact SG-CD1 3.27Å; Q932-I940 WeakPolarHBondContact O-CD1 3.47Å; C933-I940 HydrophobicContact CB-CD1 4.39Å; C933-I940 VanDerWaalsContact SG-CD1 3.55Å
941	V	66.8	Low	57.3	Low	80 Å²	80	87 Å²	87	49%	0.485	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.6	176.1	-176	0	0	0	0	109.4	T913 R914	T913-V941 HydrophobicContact CG2-CG1 4.3Å; R914-V941 WeakPolarHBondContact O-CA 3.4Å
942	D	65.4	Low	57.6	Low	33 Å²	33	89.6 Å²	89.6	18%	0.176	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.3	168.6	172	10.2	0	0	0	108.3	W897 W900 T913 R914 R944	W897-D942 HydrophobicContact CH2-CB 3.58Å; W897-D942 HydrophobicContact CZ2-CB 4.46Å; W897-D942 HydrophobicContact CZ3-CB 3.61Å; W900-D942 HydrophobicContact CH2-CB 4.42Å; W900-D942 WeakPolarHBondContact CH2-OD2 3.08Å; W900-D942 WeakPolarHBondContact CZ3-O 3.5Å; T913-D942 WeakPolarHBondContact CA-O 3.24Å; R914-D942 HydrophobicContact CG-CB 3.87Å; R914-D942 IonicContact CZ-OD2 3.51Å; R914-D942 PolarHBondContact N-O 3.04Å; R914-D942 IonicContact NE-OD2 2.63Å; R914-D942 PolarHBondContact NE-OD2 2.99Å; R914-D942 IonicContact NH2-OD2 3.59Å; R914-D942 PolarHBondContact NH2-OD2 3.39Å; R914-D942 PolarHBondContact O-N 3.16Å; D942-R944 IonicContact OD2-NE 3.83Å
943	T	66.2	Low	57.6	Low	90 Å²	90	88.2 Å²	88.2	55%	0.552	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.1	174.6	39.9	0	0	0	0	109.6	T913	T913-T943 HydrophobicContact CG2-CG2 3.75Å
944	R	68.3	Low	57.9	Low	93 Å²	93	92.7 Å²	92.7	35%	0.351	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.7	167.5	-77	-176	-160.7	-158.7	3.5	111.1	E884 W900 M911 K912 D942	E884-R944 IonicContact OE1-CZ 3.91Å; E884-R944 IonicContact OE1-NH1 2.8Å; E884-R944 PolarHBondContact OE1-NH1 3.24Å; E884-R944 IonicContact OE2-NH1 3.42Å; W900-R944 HydrophobicContact CH2-CB 3.8Å; W900-R944 HydrophobicContact CH2-CG 3.6Å; W900-R944 HydrophobicContact CZ2-CG 4.27Å; W900-R944 HydrophobicContact CZ3-CB 4.09Å; W900-R944 HydrophobicContact CZ3-CG 4.34Å; M911-R944 WeakPolarHBondContact CA-O 3.36Å; K912-R944 HydrophobicContact CG-CB 4.17Å; K912-R944 WeakPolarHBondContact CG-O 3.39Å; K912-R944 PolarHBondContact N-O 2.79Å; K912-R944 PolarHBondContact O-N 3.14Å; D942-R944 IonicContact OD2-NE 3.83Å
945	I	65	Low	57.9	Low	126 Å²	126	91.8 Å²	91.8	65%	0.646	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	141.9	163.3	-59.3	174.1	0	0	0	108.5	I909 G910	I909-I945 HydrophobicContact CG2-CG2 3.56Å; G910-I945 WeakPolarHBondContact O-CA 3.34Å
946	C	71.6	Confident	58.5	Low	12 Å²	12	93.3 Å²	93.3	8%	0.081	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.5	172.9	41.3	0	0	0	0	109.7	C903 G910 K912	C903-C946 VanDerWaalsContact CA-SG 3.53Å; C903-C946 HydrophobicContact CB-CB 3.99Å; C903-C946 WeakPolarHBondContact CB-SG 3.3Å; C903-C946 WeakPolarHBondContact SG-CB 3.33Å; C903-C946 PolarHBondContact SG-O 3.09Å; C903-C946 CovalentContact SG-SG 2.03Å; C903-C946 PolarHBondContact SG-SG 2.84Å; G910-C946 PolarHBondContact N-O 3.27Å; G910-C946 PolarHBondContact O-N 2.94Å; G910-C946 PolarHBondContact O-SG 3.33Å; G910-C946 VanDerWaalsContact O-SG 3.41Å; K912-C946 HydrophobicContact CB-CB 4.4Å; K912-C946 HydrophobicContact CD-CB 3.92Å; K912-C946 HydrophobicContact CG-CB 3.94Å; K912-C946 PolarHBondContact N-SG 2.66Å
947	E	64.6	Low	59.1	Low	159 Å²	159	90.9 Å²	90.9	74%	0.743	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	108	166.6	-75.5	168.7	-162.7	0	0	108.3	G908 I909	G908-E947 WeakPolarHBondContact O-CA 3.43Å; I909-E947 HydrophobicContact CG1-CG 4.09Å
948	N	60.2	Low	59.7	Low	61 Å²	61	86.2 Å²	86.2	33%	0.326	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	168.3	159.4	-91.9	-28.5	0	0	0	109.5	C903 A905 G908	C903-N948 WeakPolarHBondContact CB-ND2 3.17Å; A905-N948 PolarHBondContact O-ND2 2.93Å; G908-N948 PolarHBondContact N-O 2.86Å; G908-N948 PolarHBondContact O-N 2.98Å
949	F	55.6	Low	60.8	Low	183 Å²	183	93 Å²	93	80%	0.803	47%	0.468	S	S	*	.	S	Bend	trans	-41.7	145.3	178.2	-68.7	-84.7	0	0	0	112.7	C907 G908 C951	C907-F949 CarbonylContact C-O 3.49Å; C907-F949 WeakPolarHBondContact CA-O 3.15Å; C907-F949 WeakPolarHBondContact CB-O 3.02Å; G908-F949 PolarHBondContact N-O 3.38Å; F949-C951 PolarHBondContact O-N 2.99Å
950	T	48.2	Very low	61.2	Low	138 Å²	138	91.2 Å²	91.2	85%	0.847	46%	0.457	S	S	*	.			trans	-44.2	118.6	175.3	37.2	0	0	0	0	110.2	Q952	T950-Q952 PolarHBondContact O-N 3.33Å
951	C	47.6	Very low	61.7	Low	17 Å²	17	90 Å²	90	12%	0.115	45%	0.452	C	S	.	.			trans	-52.7	144.5	172.7	-73.2	0	0	0	0	109.1	C907 F949 Q953	C907-C951 HydrophobicContact CB-CB 3.84Å; C907-C951 WeakPolarHBondContact CB-SG 3.37Å; C907-C951 PolarHBondContact O-SG 3.13Å; C907-C951 VanDerWaalsContact O-SG 3.36Å; C907-C951 WeakPolarHBondContact SG-CA 3.43Å; C907-C951 WeakPolarHBondContact SG-CB 3.42Å; C907-C951 CovalentContact SG-SG 2.04Å; C907-C951 PolarHBondContact SG-SG 2.83Å; F949-C951 PolarHBondContact O-N 2.99Å; C951-Q953 HydrophobicContact CB-CG 4.11Å; C951-Q953 PolarHBondContact O-N 2.9Å
952	Q	54.3	Low	62	Low	161 Å²	161	90.5 Å²	90.5	75%	0.752	46%	0.457	S	S	*	.			trans	-58.7	115	150.5	-69.6	-171.3	-30.3	0	0	105.6	T950 F1001	T950-Q952 PolarHBondContact O-N 3.33Å; Q952-F1001 HydrophobicContact CB-CD2 4.01Å; Q952-F1001 HydrophobicContact CB-CE2 4.26Å; Q952-F1001 WeakPolarHBondContact O-CD2 3.38Å
953	Q	50.3	Low	62.6	Low	92 Å²	92	92.1 Å²	92.1	43%	0.43	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.9	177.7	-74.6	-179.5	-25.5	0	0	106.2	C951 I955 S998	C951-Q953 HydrophobicContact CB-CG 4.11Å; C951-Q953 PolarHBondContact O-N 2.9Å; Q953-I955 HydrophobicContact CB-CG1 4.25Å; Q953-I955 PolarHBondContact O-N 2.94Å; Q953-S998 WeakPolarHBondContact CB-OG 3.24Å; Q953-S998 VanDerWaalsContact CD-OG 3.23Å; Q953-S998 VanDerWaalsContact CG-OG 3.23Å; Q953-S998 WeakPolarHBondContact CG-OG 3.5Å; Q953-S998 PolarHBondContact NE2-OG 3.12Å
954	E	56.5	Low	62.7	Low	130 Å²	130	89.6 Å²	89.6	61%	0.607	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	96.9	169.9	-170.8	157.2	-146.9	0	0	107.9	V956	E954-V956 HydrophobicContact CG-CG2 4.26Å; E954-V956 PolarHBondContact O-N 3.1Å; E954-V956 VanDerWaalsContact O-N 3.1Å
955	I	53	Low	62.7	Low	83 Å²	83	88.9 Å²	88.9	43%	0.426	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	91.9	-179.5	-57.4	179.7	0	0	0	108.9	Q953 H957 C997	Q953-I955 HydrophobicContact CB-CG1 4.25Å; Q953-I955 PolarHBondContact O-N 2.94Å; I955-H957 PolarHBondContact O-N 3.35Å; I955-C997 CarbonylContact C-O 3.56Å; I955-C997 VanDerWaalsContact CA-O 3.32Å; I955-C997 WeakPolarHBondContact CA-O 3.33Å
956	V	62.2	Low	62.5	Low	82 Å²	82	85 Å²	85	50%	0.497	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.3	173.1	-176	0	0	0	0	108.7	E954 C997	E954-V956 HydrophobicContact CG-CG2 4.26Å; E954-V956 PolarHBondContact O-N 3.1Å; E954-V956 VanDerWaalsContact O-N 3.1Å; V956-C997 PolarHBondContact N-O 3.48Å; V956-C997 PolarHBondContact O-N 2.75Å
957	H	65.3	Low	61.4	Low	71 Å²	71	90.1 Å²	90.1	33%	0.329	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	142.4	172.6	-65.1	-66.2	0	0	0	111.3	I955 R994 H995 S996 Q1013	I955-H957 PolarHBondContact O-N 3.35Å; H957-R994 VanDerWaalsContact CB-NH1 3.27Å; H957-R994 VanDerWaalsContact CD2-CZ 3.48Å; H957-R994 PolarHBondContact CD2-NH1 3.06Å; H957-R994 VanDerWaalsContact CD2-NH1 3.26Å; H957-R994 PolarHBondContact CD2-NH2 2.86Å; H957-R994 VanDerWaalsContact CD2-NH2 3.34Å; H957-R994 PolarHBondContact CE1-NH2 3.39Å; H957-R994 VanDerWaalsContact CE1-NH2 3.35Å; H957-R994 PolarHBondContact NE2-NH2 3.03Å; H957-R994 VanDerWaalsContact NE2-NH2 3.1Å; H957-H995 VanDerWaalsContact CA-O 3.29Å; H957-H995 WeakPolarHBondContact CA-O 3.3Å; H957-S996 PolarHBondContact CE1-OG 3.01Å; H957-S996 WeakPolarHBondContact ND1-CB 3.33Å; H957-S996 PolarHBondContact ND1-OG 2.83Å; H957-Q1013 PolarHBondContact CE1-NE2 3.13Å
958	S	64.6	Low	60.5	Low	22 Å²	22	88.2 Å²	88.2	15%	0.154	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-67.2	165.4	166	77	0	0	0	0	110.9	R994 H995	S958-R994 WeakPolarHBondContact OG-CA 3.4Å; S958-R994 WeakPolarHBondContact OG-CB 3.29Å; S958-H995 PolarHBondContact N-O 2.85Å; S958-H995 PolarHBondContact OG-N 2.88Å
959	E	71.8	Confident	59.4	Low	161 Å²	161	92 Å²	92	75%	0.752	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-56.5	154.4	161.4	-67.2	-158.2	149	0	0	110.6
960	W	71.7	Confident	58.4	Low	74 Å²	74	86.6 Å²	86.6	28%	0.28	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-73.5	132.9	170.3	-74.1	100.3	0	0	0	109.7	R992 R994 Q1013 V1015	W960-R992 HydrophobicContact CD2-CG 4.45Å; W960-R992 VanDerWaalsContact CD2-CZ 3.46Å; W960-R992 HydrophobicContact CE3-CB 4.39Å; W960-R992 HydrophobicContact CE3-CG 3.68Å; W960-R992 VanDerWaalsContact CG-NH1 3.34Å; W960-R992 HydrophobicContact CZ3-CG 4.12Å; W960-R994 HydrophobicContact CD2-CB 4.12Å; W960-R994 HydrophobicContact CD2-CG 3.98Å; W960-R994 VanDerWaalsContact CE2-CD 3.44Å; W960-R994 HydrophobicContact CE3-CB 3.99Å; W960-R994 HydrophobicContact CE3-CG 3.9Å; W960-R994 HydrophobicContact CH2-CG 3.85Å; W960-R994 HydrophobicContact CZ2-CG 3.96Å; W960-R994 VanDerWaalsContact CZ2-NE 3.32Å; W960-R994 HydrophobicContact CZ3-CB 4.34Å; W960-R994 HydrophobicContact CZ3-CG 3.84Å; W960-Q1013 HydrophobicContact CH2-CB 4.05Å; W960-Q1013 WeakPolarHBondContact CZ3-O 3.39Å; W960-V1015 HydrophobicContact CH2-CB 4.37Å; W960-V1015 HydrophobicContact CH2-CG2 3.37Å; W960-V1015 HydrophobicContact CZ2-CG2 4.22Å; W960-V1015 HydrophobicContact CZ3-CB 4.31Å; W960-V1015 HydrophobicContact CZ3-CG2 3.75Å
961	T	66.9	Low	57.7	Low	22 Å²	22	84.6 Å²	84.6	14%	0.135	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-59.9	157.9	166.7	51.3	0	0	0	0	111.5	R992 L993	T961-R992 WeakPolarHBondContact O-CB 3.39Å; T961-L993 HydrophobicContact CG2-CD1 3.66Å; T961-L993 HydrophobicContact CG2-CG 4.37Å; T961-L993 PolarHBondContact N-O 3.37Å; T961-L993 PolarHBondContact OG1-N 2.84Å; T961-L993 PolarHBondContact OG1-O 3.12Å; T961-L993 VanDerWaalsContact OG1-O 3.09Å
962	P	73.6	Confident	57.1	Low	91 Å²	91	88.9 Å²	88.9	59%	0.591	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-52.8	153.4	168.2	-25.2	35.2	0	0	0	112	F964	P962-F964 WeakPolarHBondContact O-CD1 3.47Å; P962-F964 PolarHBondContact O-N 3.13Å
963	W	78.2	Confident	56.3	Low	67 Å²	67	86 Å²	86	25%	0.254	44%	0.442	S	S	.	.			trans	-69.1	111.1	174.7	-74.1	101.1	0	0	0	110.6	E990 Q991 R992 V1015 R1017	W963-E990 HydrophobicContact CB-CB 4.21Å; W963-E990 HydrophobicContact CE3-CB 4Å; W963-E990 WeakPolarHBondContact CZ3-O 3.5Å; W963-Q991 CarbonylContact C-O 3.54Å; W963-Q991 WeakPolarHBondContact CA-O 3.29Å; W963-R992 HydrophobicContact CD2-CB 4.19Å; W963-R992 HydrophobicContact CD2-CG 3.94Å; W963-R992 VanDerWaalsContact CE2-CD 3.49Å; W963-R992 HydrophobicContact CE3-CB 4.07Å; W963-R992 HydrophobicContact CE3-CG 3.8Å; W963-R992 HydrophobicContact CH2-CG 3.94Å; W963-R992 HydrophobicContact CZ2-CG 4.05Å; W963-R992 HydrophobicContact CZ3-CB 4.49Å; W963-R992 HydrophobicContact CZ3-CG 3.81Å; W963-V1015 HydrophobicContact CH2-CB 4.34Å; W963-V1015 HydrophobicContact CH2-CG1 3.83Å; W963-V1015 HydrophobicContact CZ3-CG1 4.46Å; W963-V1015 WeakPolarHBondContact CZ3-O 3.01Å; W963-R1017 HydrophobicContact CD2-CG 4.22Å; W963-R1017 HydrophobicContact CE3-CG 3.66Å; W963-R1017 HydrophobicContact CH2-CB 3.96Å; W963-R1017 HydrophobicContact CH2-CG 3.89Å; W963-R1017 HydrophobicContact CZ2-CG 4.43Å; W963-R1017 HydrophobicContact CZ3-CB 3.86Å; W963-R1017 HydrophobicContact CZ3-CG 3.47Å; W963-R1017 VanDerWaalsContact CZ3-CG 3.47Å
964	F	67.1	Low	55.4	Low	36 Å²	36	87.6 Å²	87.6	16%	0.158	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.5	178	47.6	-99.1	0	0	0	112.2	P962 V966 E990 Q991 L993 I1091	P962-F964 WeakPolarHBondContact O-CD1 3.47Å; P962-F964 PolarHBondContact O-N 3.13Å; F964-V966 PolarHBondContact O-N 3.17Å; F964-E990 CarbonylContact O-C 3.53Å; F964-E990 VanDerWaalsContact O-CA 3.29Å; F964-E990 WeakPolarHBondContact O-CA 3.48Å; F964-Q991 WeakPolarHBondContact CD1-O 3.47Å; F964-Q991 HydrophobicContact CD2-CB 3.87Å; F964-Q991 HydrophobicContact CE2-CB 3.38Å; F964-Q991 WeakPolarHBondContact CG-O 3.43Å; F964-Q991 HydrophobicContact CZ-CB 3.99Å; F964-Q991 PolarHBondContact N-O 3.48Å; F964-Q991 PolarHBondContact O-N 2.74Å; F964-L993 HydrophobicContact CE1-CD2 4.42Å; F964-L993 HydrophobicContact CE1-CG 4.12Å; F964-L993 HydrophobicContact CZ-CD2 4.04Å; F964-L993 HydrophobicContact CZ-CG 4.11Å; F964-I1091 VanDerWaalsContact C-CD1 3.48Å; F964-I1091 HydrophobicContact CB-CD1 3.54Å
965	K	68.5	Low	54.3	Low	78 Å²	78	88.2 Å²	88.2	34%	0.339	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	115.3	166.8	-64.3	-169.3	-177.7	-156.7	0	111.9	Y988 Y989 E990 I1091	K965-Y988 HydrophobicContact CD-CD2 3.86Å; K965-Y988 HydrophobicContact CD-CE2 3.98Å; K965-Y988 HydrophobicContact CD-CG 4.31Å; K965-Y988 HydrophobicContact CG-CD2 3.92Å; K965-Y988 HydrophobicContact CG-CE2 4.07Å; K965-Y988 VanDerWaalsContact NZ-CE1 3.27Å; K965-Y988 PolarHBondContact NZ-OH 3.27Å; K965-Y989 CarbonylContact C-O 3.55Å; K965-Y989 VanDerWaalsContact CA-O 3.26Å; K965-Y989 WeakPolarHBondContact CA-O 3.4Å; K965-E990 HydrophobicContact CB-CG 4.26Å; K965-E990 VanDerWaalsContact CE-OE1 3.29Å; K965-E990 WeakPolarHBondContact CE-OE1 3.36Å; K965-E990 HydrophobicContact CG-CG 3.54Å; K965-E990 WeakPolarHBondContact CG-OE1 3.44Å; K965-I1091 HydrophobicContact CB-CD1 3.75Å; K965-I1091 HydrophobicContact CB-CG1 4.38Å; K965-I1091 HydrophobicContact CG-CD1 4.44Å; K965-I1091 WeakPolarHBondContact O-CD1 3.18Å
966	V	59.9	Low	53.3	Low	46 Å²	46	93.7 Å²	93.7	28%	0.279	47%	0.47	S	S	.	.			trans	-80.7	125.7	179.9	-169.3	0	0	0	0	109.4	F964 Y989 Q991	F964-V966 PolarHBondContact O-N 3.17Å; V966-Y989 PolarHBondContact N-O 3.4Å; V966-Q991 HydrophobicContact CG2-CB 3.74Å; V966-Q991 HydrophobicContact CG2-CG 3.55Å
967	L	50.4	Low	51.8	Low	119 Å²	119	95.1 Å²	95.1	62%	0.623	48%	0.479	S	S	*	.			trans	-76.6	135.1	169	-72.5	170.3	0	0	0	109.6	N969	L967-N969 PolarHBondContact O-N 3.49Å
968	P	45	Very low	49.9	Very low	118 Å²	118	98 Å²	98	77%	0.766	50%	0.502	S	S	*	.	S	Bend	trans	-78.1	57.9	-171.2	33.6	-37.9	0	0	0	113.3
969	N	37	Very low	48.2	Very low	141 Å²	141	104.3 Å²	104.3	75%	0.754	53%	0.533	S	S	*	.			trans	-104.1	5.9	-176.2	-73.2	8	0	0	0	114	L967	L967-N969 PolarHBondContact O-N 3.49Å
970	N	34.9	Very low	46	Very low	70 Å²	70	102.9 Å²	102.9	37%	0.374	54%	0.537	S	S	.	.			trans	-100	110.5	177.1	-174.6	-13.2	0	0	0	111	R972 I973	N970-R972 PolarHBondContact O-N 2.96Å; N970-R972 VanDerWaalsContact O-N 3.17Å; N970-R972 PolarHBondContact OD1-N 2.72Å; N970-R972 VanDerWaalsContact OD1-N 3.1Å; N970-I973 HydrophobicContact CB-CD1 3.91Å; N970-I973 HydrophobicContact CB-CG1 4.1Å; N970-I973 PolarHBondContact O-N 3.19Å; N970-I973 VanDerWaalsContact O-N 3.14Å
971	P	33.1	Very low	44	Very low	95 Å²	95	102.2 Å²	102.2	62%	0.617	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-65.7	-19.1	-175.5	26.6	-34.8	0	0	0	114	I973 L974	P971-I973 PolarHBondContact O-N 2.68Å; P971-L974 PolarHBondContact O-N 2.97Å
972	R	34.8	Very low	42.1	Very low	108 Å²	108	109.6 Å²	109.6	41%	0.408	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-71.9	-15.7	176.1	-69.4	-174.4	173.8	-172.3	-0.5	113.4	N970 N1052 D1540	N970-R972 PolarHBondContact O-N 2.96Å; N970-R972 VanDerWaalsContact O-N 3.17Å; N970-R972 PolarHBondContact OD1-N 2.72Å; N970-R972 VanDerWaalsContact OD1-N 3.1Å; R972-N1052 PolarHBondContact NH2-ND2 3.33Å; R972-D1540 IonicContact CZ-OD1 2.79Å; R972-D1540 IonicContact NH2-OD1 3.5Å; R972-D1540 PolarHBondContact NH2-OD1 2.73Å
973	I	37.4	Very low	40	Very low	100 Å²	100	113.1 Å²	113.1	51%	0.513	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-78.8	-19.7	178.8	-61.5	-179	0	0	0	112.3	N970 P971 K975	N970-I973 HydrophobicContact CB-CD1 3.91Å; N970-I973 HydrophobicContact CB-CG1 4.1Å; N970-I973 PolarHBondContact O-N 3.19Å; N970-I973 VanDerWaalsContact O-N 3.14Å; P971-I973 PolarHBondContact O-N 2.68Å; I973-K975 PolarHBondContact O-N 2.86Å
974	L	32.3	Very low	38	Very low	125 Å²	125	114.9 Å²	114.9	65%	0.654	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-80.9	-3.5	-174.4	-78.4	164.4	0	0	0	115.4	P971 Y976	P971-L974 PolarHBondContact O-N 2.97Å; L974-Y976 PolarHBondContact O-N 3.42Å; L974-Y976 VanDerWaalsContact O-N 3.16Å
975	K	32.2	Very low	36.7	Very low	144 Å²	144	118.8 Å²	118.8	63%	0.626	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-70.1	-5.8	-175.1	-96.7	-172.2	174.4	-177.4	0	115.8	I973 L1543	I973-K975 PolarHBondContact O-N 2.86Å; K975-L1543 HydrophobicContact CD-CD1 4.24Å
976	Y	32.5	Very low	36.1	Very low	198 Å²	198	121.3 Å²	121.3	78%	0.776	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-120.3	10	-170.7	-74.2	-73.4	0	0	0	116.8	L974	L974-Y976 PolarHBondContact O-N 3.42Å; L974-Y976 VanDerWaalsContact O-N 3.16Å
977	T	29.8	Very low	36.3	Very low	111 Å²	111	122.1 Å²	122.1	68%	0.681	65%	0.651	S	S	*	*			trans	-135.4	62.4	177.6	59.8	0	0	0	0	114	I979	T977-I979 PolarHBondContact O-N 2.7Å
978	T	26.1	Very low	37.1	Very low	133 Å²	133	119 Å²	119	82%	0.816	63%	0.631	S	S	*	*			trans	-86.6	73.6	167.5	50.8	0	0	0	0	111.5
979	I	28.8	Very low	38.4	Very low	154 Å²	154	117.8 Å²	117.8	79%	0.79	61%	0.612	S	S	*	*			trans	-127.5	111	163	-58	-179.3	0	0	0	107.9	T977	T977-I979 PolarHBondContact O-N 2.7Å
980	P	26.9	Very low	40.5	Very low	130 Å²	130	111.7 Å²	111.7	84%	0.844	58%	0.579	S	S	*	*			trans	-83.4	119.2	179.9	31.6	-31.8	0	0	0	111.3
981	G	28.2	Very low	42.6	Very low	61 Å²	61	110.5 Å²	110.5	63%	0.629	57%	0.571	S	S	*	*	S	Bend	trans	140	109.9	163.5	0	0	0	0	0	116.2
982	Q	28.2	Very low	44.7	Very low	177 Å²	177	109 Å²	109	83%	0.827	55%	0.553	S	S	*	*			trans	63.4	-178	159.5	-58.9	-176.6	-13.5	0	0	117.2
983	F	29.7	Very low	46.9	Very low	164 Å²	164	104.8 Å²	104.8	72%	0.719	54%	0.539	S	S	*	.			trans	70.9	78.4	170.9	-60.3	-75.1	0	0	0	120
984	N	35.3	Very low	48.5	Very low	105 Å²	105	102.3 Å²	102.3	56%	0.561	52%	0.523	S	S	*	.				77	119.4	127.4	-63.6	-21.1	0	0	0	120.2	R986	N984-R986 HydrophobicContact CB-CB 4.49Å; N984-R986 HydrophobicContact CB-CG 4.06Å; N984-R986 PolarHBondContact O-N 3.07Å
985	S	40.8	Very low	50.2	Low	118 Å²	118	96.9 Å²	96.9	83%	0.825	50%	0.495	S	S	*	.	S	Bend	trans	-66.8	51	170.4	45.8	0	0	0	0	114.7
986	R	55.7	Low	52	Low	131 Å²	131	90 Å²	90	49%	0.494	47%	0.465	S	S	.	.			trans	-116.9	8.6	-170	-69.3	179.7	179.3	-160	-2.3	115.1	N984 F1020 N1021 I1022	N984-R986 HydrophobicContact CB-CB 4.49Å; N984-R986 HydrophobicContact CB-CG 4.06Å; N984-R986 PolarHBondContact O-N 3.07Å; R986-F1020 WeakPolarHBondContact O-CA 3.42Å; R986-N1021 WeakPolarHBondContact O-CB 3.47Å; R986-N1021 PolarHBondContact O-N 2.87Å; R986-I1022 HydrophobicContact CG-CD1 4.25Å
987	V	63.5	Low	53	Low	62 Å²	62	80.8 Å²	80.8	38%	0.376	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.2	-179.6	-175.9	0	0	0	0	110.4	Y989 K1018 C1019 F1020	V987-Y989 HydrophobicContact CG1-CE2 4.43Å; V987-K1018 HydrophobicContact CG1-CD 4.34Å; V987-K1018 HydrophobicContact CG1-CG 3.65Å; V987-C1019 WeakPolarHBondContact CA-O 3.49Å; V987-F1020 HydrophobicContact CG2-CD1 3.81Å; V987-F1020 HydrophobicContact CG2-CE1 3.74Å
988	Y	66.3	Low	54.4	Low	53 Å²	53	75.6 Å²	75.6	21%	0.208	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.6	165.1	63.1	-99.8	0	0	0	109.6	K965 E990 C1019 N1021	K965-Y988 HydrophobicContact CD-CD2 3.86Å; K965-Y988 HydrophobicContact CD-CE2 3.98Å; K965-Y988 HydrophobicContact CD-CG 4.31Å; K965-Y988 HydrophobicContact CG-CD2 3.92Å; K965-Y988 HydrophobicContact CG-CE2 4.07Å; K965-Y988 VanDerWaalsContact NZ-CE1 3.27Å; K965-Y988 PolarHBondContact NZ-OH 3.27Å; Y988-E990 HydrophobicContact CD2-CG 4.04Å; Y988-E990 HydrophobicContact CE2-CG 3.79Å; Y988-E990 WeakPolarHBondContact CE2-OE1 3.15Å; Y988-C1019 HydrophobicContact CD1-CB 4.43Å; Y988-C1019 HydrophobicContact CD2-CB 3.67Å; Y988-C1019 HydrophobicContact CE1-CB 4.05Å; Y988-C1019 HydrophobicContact CE2-CB 3.17Å; Y988-C1019 VanDerWaalsContact CE2-SG 3.57Å; Y988-C1019 HydrophobicContact CG-CB 4.27Å; Y988-C1019 PolarHBondContact N-O 3.39Å; Y988-C1019 PolarHBondContact O-N 2.95Å; Y988-N1021 HydrophobicContact CD1-CB 4.44Å; Y988-N1021 HydrophobicContact CE1-CB 4.47Å; Y988-N1021 WeakPolarHBondContact CE1-OD1 3.38Å
989	Y	74.1	Confident	55.8	Low	93 Å²	93	71.3 Å²	71.3	37%	0.365	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.9	177.7	-64.1	-89.4	0	0	0	109.9	K965 V966 V987 E1016 R1017 K1018	K965-Y989 CarbonylContact C-O 3.55Å; K965-Y989 VanDerWaalsContact CA-O 3.26Å; K965-Y989 WeakPolarHBondContact CA-O 3.4Å; V966-Y989 PolarHBondContact N-O 3.4Å; V987-Y989 HydrophobicContact CG1-CE2 4.43Å; Y989-E1016 HydrophobicContact CD1-CG 4.33Å; Y989-E1016 WeakPolarHBondContact CD1-OE1 3.33Å; Y989-R1017 WeakPolarHBondContact CA-O 3.34Å; Y989-K1018 HydrophobicContact CD1-CB 3.99Å; Y989-K1018 HydrophobicContact CD1-CG 4.25Å; Y989-K1018 HydrophobicContact CE1-CB 3.73Å; Y989-K1018 HydrophobicContact CE1-CD 4Å; Y989-K1018 HydrophobicContact CE1-CG 3.67Å
990	E	79.8	Confident	57.1	Low	14 Å²	14	65.3 Å²	65.3	7%	0.065	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.4	171.2	-75.5	174.5	177.6	0	0	109.5	W963 F964 K965 Y988 E1016 R1017	W963-E990 HydrophobicContact CB-CB 4.21Å; W963-E990 HydrophobicContact CE3-CB 4Å; W963-E990 WeakPolarHBondContact CZ3-O 3.5Å; F964-E990 CarbonylContact O-C 3.53Å; F964-E990 VanDerWaalsContact O-CA 3.29Å; F964-E990 WeakPolarHBondContact O-CA 3.48Å; K965-E990 HydrophobicContact CB-CG 4.26Å; K965-E990 VanDerWaalsContact CE-OE1 3.29Å; K965-E990 WeakPolarHBondContact CE-OE1 3.36Å; K965-E990 HydrophobicContact CG-CG 3.54Å; K965-E990 WeakPolarHBondContact CG-OE1 3.44Å; Y988-E990 HydrophobicContact CD2-CG 4.04Å; Y988-E990 HydrophobicContact CE2-CG 3.79Å; Y988-E990 WeakPolarHBondContact CE2-OE1 3.15Å; E990-E1016 CarbonylContact O-C 3.58Å; E990-E1016 WeakPolarHBondContact O-CA 3.24Å; E990-R1017 HydrophobicContact CB-CG 3.9Å; E990-R1017 PolarHBondContact N-O 3.32Å; E990-R1017 PolarHBondContact O-N 2.95Å; E990-R1017 IonicContact OE2-CZ 2.7Å; E990-R1017 IonicContact OE2-NE 3.16Å; E990-R1017 PolarHBondContact OE2-NE 2.68Å; E990-R1017 IonicContact OE2-NH2 3.8Å; E990-R1017 PolarHBondContact OE2-NH2 3.13Å
991	Q	78.6	Confident	58.4	Low	44 Å²	44	66 Å²	66	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	162.4	170.8	-79.8	173.4	5.1	0	0	110.3	W963 F964 V966 I1014 V1015 E1016	W963-Q991 CarbonylContact C-O 3.54Å; W963-Q991 WeakPolarHBondContact CA-O 3.29Å; F964-Q991 WeakPolarHBondContact CD1-O 3.47Å; F964-Q991 HydrophobicContact CD2-CB 3.87Å; F964-Q991 HydrophobicContact CE2-CB 3.38Å; F964-Q991 WeakPolarHBondContact CG-O 3.43Å; F964-Q991 HydrophobicContact CZ-CB 3.99Å; F964-Q991 PolarHBondContact N-O 3.48Å; F964-Q991 PolarHBondContact O-N 2.74Å; V966-Q991 HydrophobicContact CG2-CB 3.74Å; V966-Q991 HydrophobicContact CG2-CG 3.55Å; Q991-I1014 HydrophobicContact CB-CG2 4.42Å; Q991-I1014 HydrophobicContact CG-CG2 4.28Å; Q991-V1015 CarbonylContact C-O 3.56Å; Q991-V1015 VanDerWaalsContact CA-O 3.27Å; Q991-V1015 WeakPolarHBondContact CA-O 3.31Å; Q991-E1016 HydrophobicContact CG-CB 3.88Å; Q991-E1016 HydrophobicContact CG-CG 3.88Å; Q991-E1016 PolarHBondContact NE2-OE2 3.28Å
992	R	78.3	Confident	59.5	Low	63 Å²	63	67 Å²	67	24%	0.238	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159	163	61.9	172.6	-170.7	165.3	5.2	109.3	W960 T961 W963 I1014 V1015	W960-R992 HydrophobicContact CD2-CG 4.45Å; W960-R992 VanDerWaalsContact CD2-CZ 3.46Å; W960-R992 HydrophobicContact CE3-CB 4.39Å; W960-R992 HydrophobicContact CE3-CG 3.68Å; W960-R992 VanDerWaalsContact CG-NH1 3.34Å; W960-R992 HydrophobicContact CZ3-CG 4.12Å; T961-R992 WeakPolarHBondContact O-CB 3.39Å; W963-R992 HydrophobicContact CD2-CB 4.19Å; W963-R992 HydrophobicContact CD2-CG 3.94Å; W963-R992 VanDerWaalsContact CE2-CD 3.49Å; W963-R992 HydrophobicContact CE3-CB 4.07Å; W963-R992 HydrophobicContact CE3-CG 3.8Å; W963-R992 HydrophobicContact CH2-CG 3.94Å; W963-R992 HydrophobicContact CZ2-CG 4.05Å; W963-R992 HydrophobicContact CZ3-CB 4.49Å; W963-R992 HydrophobicContact CZ3-CG 3.81Å; R992-I1014 WeakPolarHBondContact O-CA 3.24Å; R992-V1015 HydrophobicContact CG-CB 4.4Å; R992-V1015 PolarHBondContact N-O 2.85Å; R992-V1015 PolarHBondContact O-N 2.99Å
993	L	81.1	Confident	60.5	Low	21 Å²	21	62 Å²	62	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.1	-179	57.7	75.5	0	0	0	112.8	T961 F964 T1012 Q1013 I1014 W1058	T961-L993 HydrophobicContact CG2-CD1 3.66Å; T961-L993 HydrophobicContact CG2-CG 4.37Å; T961-L993 PolarHBondContact N-O 3.37Å; T961-L993 PolarHBondContact OG1-N 2.84Å; T961-L993 PolarHBondContact OG1-O 3.12Å; T961-L993 VanDerWaalsContact OG1-O 3.09Å; F964-L993 HydrophobicContact CE1-CD2 4.42Å; F964-L993 HydrophobicContact CE1-CG 4.12Å; F964-L993 HydrophobicContact CZ-CD2 4.04Å; F964-L993 HydrophobicContact CZ-CG 4.11Å; L993-T1012 HydrophobicContact CB-CG2 4.15Å; L993-Q1013 CarbonylContact C-O 3.6Å; L993-Q1013 VanDerWaalsContact CA-O 3.23Å; L993-Q1013 WeakPolarHBondContact CA-O 3.46Å; L993-I1014 HydrophobicContact CB-CG1 4.2Å; L993-W1058 HydrophobicContact CD1-CH2 3.91Å; L993-W1058 HydrophobicContact CD1-CZ3 4.14Å; L993-W1058 HydrophobicContact CD2-CH2 4.2Å
994	R	71	Confident	61.3	Low	47 Å²	47	57 Å²	57	18%	0.177	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.7	166	68	174.9	-177.2	157.4	9	110.5	H957 S958 W960 T1012 Q1013	H957-R994 VanDerWaalsContact CB-NH1 3.27Å; H957-R994 VanDerWaalsContact CD2-CZ 3.48Å; H957-R994 PolarHBondContact CD2-NH1 3.06Å; H957-R994 VanDerWaalsContact CD2-NH1 3.26Å; H957-R994 PolarHBondContact CD2-NH2 2.86Å; H957-R994 VanDerWaalsContact CD2-NH2 3.34Å; H957-R994 PolarHBondContact CE1-NH2 3.39Å; H957-R994 VanDerWaalsContact CE1-NH2 3.35Å; H957-R994 PolarHBondContact NE2-NH2 3.03Å; H957-R994 VanDerWaalsContact NE2-NH2 3.1Å; S958-R994 WeakPolarHBondContact OG-CA 3.4Å; S958-R994 WeakPolarHBondContact OG-CB 3.29Å; W960-R994 HydrophobicContact CD2-CB 4.12Å; W960-R994 HydrophobicContact CD2-CG 3.98Å; W960-R994 VanDerWaalsContact CE2-CD 3.44Å; W960-R994 HydrophobicContact CE3-CB 3.99Å; W960-R994 HydrophobicContact CE3-CG 3.9Å; W960-R994 HydrophobicContact CH2-CG 3.85Å; W960-R994 HydrophobicContact CZ2-CG 3.96Å; W960-R994 VanDerWaalsContact CZ2-NE 3.32Å; W960-R994 HydrophobicContact CZ3-CB 4.34Å; W960-R994 HydrophobicContact CZ3-CG 3.84Å; R994-T1012 CarbonylContact O-C 3.52Å; R994-T1012 WeakPolarHBondContact O-CA 3.2Å; R994-Q1013 HydrophobicContact CG-CB 4.04Å; R994-Q1013 VanDerWaalsContact CZ-OE1 3.26Å; R994-Q1013 PolarHBondContact N-O 3.35Å; R994-Q1013 PolarHBondContact O-N 3.31Å
995	H	68.4	Low	62	Low	12 Å²	12	56.9 Å²	56.9	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	162.7	171.6	-57.2	80.9	0	0	0	110.7	H957 S958 S1011 W1058 F1087	H957-H995 VanDerWaalsContact CA-O 3.29Å; H957-H995 WeakPolarHBondContact CA-O 3.3Å; S958-H995 PolarHBondContact N-O 2.85Å; S958-H995 PolarHBondContact OG-N 2.88Å; H995-S1011 CarbonylContact C-O 3.59Å; H995-W1058 AromaticContact CE1-CH2 3.46Å; H995-W1058 VanDerWaalsContact CE1-CH2 3.46Å; H995-W1058 WeakPolarHBondContact CE1-CH2 3.37Å; H995-W1058 AromaticContact CE1-CZ3 3.37Å; H995-W1058 WeakPolarHBondContact CE1-CZ3 3.32Å; H995-W1058 AromaticContact NE2-CH2 3.22Å; H995-W1058 WeakPolarHBondContact NE2-CH2 3.34Å; H995-W1058 AromaticContact NE2-CZ2 3.9Å; H995-W1058 AromaticContact NE2-CZ3 3.31Å; H995-W1058 VanDerWaalsContact NE2-CZ3 3.31Å; H995-W1058 WeakPolarHBondContact NE2-CZ3 3.41Å; H995-F1087 AromaticContact CE1-CZ 3.92Å
996	S	69	Low	62.3	Low	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.5	168.3	-38.9	0	0	0	0	106.7	H957 V1010 S1011	H957-S996 PolarHBondContact CE1-OG 3.01Å; H957-S996 WeakPolarHBondContact ND1-CB 3.33Å; H957-S996 PolarHBondContact ND1-OG 2.83Å; S996-V1010 PolarHBondContact O-N 2.95Å; S996-S1011 VanDerWaalsContact CB-O 3.29Å; S996-S1011 WeakPolarHBondContact CB-O 3.43Å; S996-S1011 WeakPolarHBondContact CB-OG 3.5Å; S996-S1011 PolarHBondContact N-O 3.49Å; S996-S1011 PolarHBondContact O-N 3.37Å; S996-S1011 PolarHBondContact OG-O 3.34Å; S996-S1011 PolarHBondContact OG-OG 3.44Å
997	C	53.6	Low	61.9	Low	3 Å²	3	51.3 Å²	51.3	2%	0.02	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.9	-177	-56.7	0	0	0	0	109.1	I955 V956 L1007 Q1008 C1064	I955-C997 CarbonylContact C-O 3.56Å; I955-C997 VanDerWaalsContact CA-O 3.32Å; I955-C997 WeakPolarHBondContact CA-O 3.33Å; V956-C997 PolarHBondContact N-O 3.48Å; V956-C997 PolarHBondContact O-N 2.75Å; C997-L1007 HydrophobicContact CB-CD2 4.11Å; C997-Q1008 CarbonylContact C-O 3.59Å; C997-Q1008 VanDerWaalsContact CA-O 3.28Å; C997-Q1008 WeakPolarHBondContact CA-O 3.19Å; C997-C1064 HydrophobicContact CB-CB 3.91Å; C997-C1064 WeakPolarHBondContact CB-SG 3.48Å; C997-C1064 WeakPolarHBondContact SG-CB 3.42Å; C997-C1064 CovalentContact SG-SG 2.04Å; C997-C1064 PolarHBondContact SG-SG 3.2Å
998	S	60.1	Low	61.3	Low	2 Å²	2	54 Å²	54	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.3	178.4	163.2	0	0	0	0	110.2	Q953 Q1008	Q953-S998 WeakPolarHBondContact CB-OG 3.24Å; Q953-S998 VanDerWaalsContact CD-OG 3.23Å; Q953-S998 VanDerWaalsContact CG-OG 3.23Å; Q953-S998 WeakPolarHBondContact CG-OG 3.5Å; Q953-S998 PolarHBondContact NE2-OG 3.12Å; S998-Q1008 PolarHBondContact N-O 2.69Å; S998-Q1008 PolarHBondContact O-N 2.88Å
999	V	54.5	Low	60.7	Low	43 Å²	43	55.5 Å²	55.5	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.3	162.1	178.5	0	0	0	0	108.5	L1007	V999-L1007 HydrophobicContact CG2-CB 4.2Å; V999-L1007 HydrophobicContact CG2-CD1 3.68Å; V999-L1007 HydrophobicContact CG2-CG 3.7Å
1000	P	55.8	Low	59.7	Low	29 Å²	29	54.6 Å²	54.6	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.1	165	-14.3	29.4	0	0	0	109.9	E1002 N1003 D1006	P1000-E1002 PolarHBondContact O-N 3.22Å; P1000-N1003 PolarHBondContact O-N 3.32Å; P1000-D1006 WeakPolarHBondContact CD-O 3.31Å; P1000-D1006 HydrophobicContact CG-CB 4.15Å
1001	F	54.7	Low	58.3	Low	144 Å²	144	56.3 Å²	56.3	63%	0.632	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-11	-174.1	-108.4	-73.7	0	0	0	116.4	Q952	Q952-F1001 HydrophobicContact CB-CD2 4.01Å; Q952-F1001 HydrophobicContact CB-CE2 4.26Å; Q952-F1001 WeakPolarHBondContact O-CD2 3.38Å
1002	E	50.5	Low	57.5	Low	82 Å²	82	56.8 Å²	56.8	38%	0.383	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-13.7	-177.1	-60.8	-158.4	114.5	0	0	114.8	A905 K906 P1000	A905-E1002 WeakPolarHBondContact CA-OE2 3.22Å; K906-E1002 WeakPolarHBondContact CD-OE1 3.29Å; K906-E1002 VanDerWaalsContact CG-OE1 3.29Å; K906-E1002 WeakPolarHBondContact CG-OE1 3.22Å; K906-E1002 PolarHBondContact N-OE2 3.06Å; K906-E1002 IonicContact NZ-OE1 2.65Å; K906-E1002 PolarHBondContact NZ-OE1 3.44Å; P1000-E1002 PolarHBondContact O-N 3.22Å
1003	N	50	Low	56.9	Low	71 Å²	71	56.9 Å²	56.9	38%	0.38	30%	0.304	S	S	.	.			trans	-151.7	120.5	176.6	-161.1	25.2	0	0	0	112.4	P1000 D1005 D1006	P1000-N1003 PolarHBondContact O-N 3.32Å; N1003-D1005 VanDerWaalsContact C-N 3.27Å; N1003-D1005 PolarHBondContact O-N 2.93Å; N1003-D1006 WeakPolarHBondContact CB-OD2 3.24Å; N1003-D1006 PolarHBondContact ND2-OD2 2.96Å; N1003-D1006 PolarHBondContact O-N 3Å
1004	A	46.7	Very low	56.3	Low	60 Å²	60	60.4 Å²	60.4	50%	0.496	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.5	-176.3	0	0	0	0	0	113.7
1005	D	49.5	Very low	56.4	Low	103 Å²	103	60.4 Å²	60.4	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.6	-180	-61.1	-33.5	0	0	0	112.8	N1003 L1007	N1003-D1005 VanDerWaalsContact C-N 3.27Å; N1003-D1005 PolarHBondContact O-N 2.93Å; D1005-L1007 PolarHBondContact O-N 3.19Å; D1005-L1007 VanDerWaalsContact O-N 3.13Å
1006	D	47.8	Very low	56.6	Low	80 Å²	80	62.2 Å²	62.2	43%	0.428	34%	0.336	S	S	.	.			trans	-87	41.5	-179	-75.4	-61	0	0	0	113.1	P1000 N1003 Q1008	P1000-D1006 WeakPolarHBondContact CD-O 3.31Å; P1000-D1006 HydrophobicContact CG-CB 4.15Å; N1003-D1006 WeakPolarHBondContact CB-OD2 3.24Å; N1003-D1006 PolarHBondContact ND2-OD2 2.96Å; N1003-D1006 PolarHBondContact O-N 3Å; D1006-Q1008 PolarHBondContact O-N 2.9Å
1007	L	47.6	Very low	57	Low	52 Å²	52	65.3 Å²	65.3	27%	0.272	35%	0.347	S	S	.	.			trans	-76.4	119.8	-177.6	-164.2	157.3	0	0	0	111.4	C997 V999 D1005 C1064	C997-L1007 HydrophobicContact CB-CD2 4.11Å; V999-L1007 HydrophobicContact CG2-CB 4.2Å; V999-L1007 HydrophobicContact CG2-CD1 3.68Å; V999-L1007 HydrophobicContact CG2-CG 3.7Å; D1005-L1007 PolarHBondContact O-N 3.19Å; D1005-L1007 VanDerWaalsContact O-N 3.13Å; L1007-C1064 HydrophobicContact CD2-CB 3.84Å
1008	Q	50.8	Low	58	Low	117 Å²	117	68.6 Å²	68.6	55%	0.547	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.7	-174.3	-64	-178.5	6.9	0	0	113.1	C997 S998 D1006 V1010	C997-Q1008 CarbonylContact C-O 3.59Å; C997-Q1008 VanDerWaalsContact CA-O 3.28Å; C997-Q1008 WeakPolarHBondContact CA-O 3.19Å; S998-Q1008 PolarHBondContact N-O 2.69Å; S998-Q1008 PolarHBondContact O-N 2.88Å; D1006-Q1008 PolarHBondContact O-N 2.9Å; Q1008-V1010 PolarHBondContact O-N 3.04Å
1009	I	53.3	Low	58.7	Low	85 Å²	85	68.5 Å²	68.5	44%	0.436	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111	169	-61	175.5	0	0	0	108.3
1010	V	52.2	Low	59.6	Low	75 Å²	75	70.6 Å²	70.6	46%	0.455	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-46.6	-172.7	-178.5	0	0	0	0	112.7	S996 Q1008	S996-V1010 PolarHBondContact O-N 2.95Å; Q1008-V1010 PolarHBondContact O-N 3.04Å
1011	S	51.5	Low	59.7	Low	50 Å²	50	74 Å²	74	35%	0.35	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	135.8	-176.7	57.6	0	0	0	0	113.9	H995 S996	H995-S1011 CarbonylContact C-O 3.59Å; S996-S1011 VanDerWaalsContact CB-O 3.29Å; S996-S1011 WeakPolarHBondContact CB-O 3.43Å; S996-S1011 WeakPolarHBondContact CB-OG 3.5Å; S996-S1011 PolarHBondContact N-O 3.49Å; S996-S1011 PolarHBondContact O-N 3.37Å; S996-S1011 PolarHBondContact OG-O 3.34Å; S996-S1011 PolarHBondContact OG-OG 3.44Å
1012	T	60.4	Low	59.8	Low	53 Å²	53	72.1 Å²	72.1	33%	0.325	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.1	168	-58	0	0	0	0	109.1	L993 R994 I1014 W1058	L993-T1012 HydrophobicContact CB-CG2 4.15Å; R994-T1012 CarbonylContact O-C 3.52Å; R994-T1012 WeakPolarHBondContact O-CA 3.2Å; T1012-I1014 HydrophobicContact CG2-CG1 4.24Å; T1012-W1058 HydrophobicContact CG2-CH2 3.98Å; T1012-W1058 HydrophobicContact CG2-CZ2 3.78Å; T1012-W1058 WeakPolarHBondContact OG1-CZ2 3.33Å
1013	Q	65.6	Low	60	Low	65 Å²	65	72.5 Å²	72.5	30%	0.304	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.1	175.1	-61.7	-174.9	-6.4	0	0	109	H957 W960 L993 R994	H957-Q1013 PolarHBondContact CE1-NE2 3.13Å; W960-Q1013 HydrophobicContact CH2-CB 4.05Å; W960-Q1013 WeakPolarHBondContact CZ3-O 3.39Å; L993-Q1013 CarbonylContact C-O 3.6Å; L993-Q1013 VanDerWaalsContact CA-O 3.23Å; L993-Q1013 WeakPolarHBondContact CA-O 3.46Å; R994-Q1013 HydrophobicContact CG-CB 4.04Å; R994-Q1013 VanDerWaalsContact CZ-OE1 3.26Å; R994-Q1013 PolarHBondContact N-O 3.35Å; R994-Q1013 PolarHBondContact O-N 3.31Å
1014	I	69.9	Low	60.2	Low	95 Å²	95	77.3 Å²	77.3	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.6	174.4	-53.9	176	0	0	0	108.3	Q991 R992 L993 T1012	Q991-I1014 HydrophobicContact CB-CG2 4.42Å; Q991-I1014 HydrophobicContact CG-CG2 4.28Å; R992-I1014 WeakPolarHBondContact O-CA 3.24Å; L993-I1014 HydrophobicContact CB-CG1 4.2Å; T1012-I1014 HydrophobicContact CG2-CG1 4.24Å
1015	V	72.1	Confident	61	Low	47 Å²	47	81.1 Å²	81.1	29%	0.285	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	173.6	-179	0	0	0	0	109.3	W960 W963 Q991 R992	W960-V1015 HydrophobicContact CH2-CB 4.37Å; W960-V1015 HydrophobicContact CH2-CG2 3.37Å; W960-V1015 HydrophobicContact CZ2-CG2 4.22Å; W960-V1015 HydrophobicContact CZ3-CB 4.31Å; W960-V1015 HydrophobicContact CZ3-CG2 3.75Å; W963-V1015 HydrophobicContact CH2-CB 4.34Å; W963-V1015 HydrophobicContact CH2-CG1 3.83Å; W963-V1015 HydrophobicContact CZ3-CG1 4.46Å; W963-V1015 WeakPolarHBondContact CZ3-O 3.01Å; Q991-V1015 CarbonylContact C-O 3.56Å; Q991-V1015 VanDerWaalsContact CA-O 3.27Å; Q991-V1015 WeakPolarHBondContact CA-O 3.31Å; R992-V1015 HydrophobicContact CG-CB 4.4Å; R992-V1015 PolarHBondContact N-O 2.85Å; R992-V1015 PolarHBondContact O-N 2.99Å
1016	E	72.9	Confident	62	Low	50 Å²	50	77.9 Å²	77.9	23%	0.234	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145	176.7	-170	170.8	113.3	0	0	112.1	Y989 E990 Q991 V1029	Y989-E1016 HydrophobicContact CD1-CG 4.33Å; Y989-E1016 WeakPolarHBondContact CD1-OE1 3.33Å; E990-E1016 CarbonylContact O-C 3.58Å; E990-E1016 WeakPolarHBondContact O-CA 3.24Å; Q991-E1016 HydrophobicContact CG-CB 3.88Å; Q991-E1016 HydrophobicContact CG-CG 3.88Å; Q991-E1016 PolarHBondContact NE2-OE2 3.28Å; E1016-V1029 HydrophobicContact CB-CB 4.44Å; E1016-V1029 HydrophobicContact CB-CG2 4.24Å; E1016-V1029 HydrophobicContact CG-CG2 4.08Å; E1016-V1029 PolarHBondContact O-N 2.88Å
1017	R	76.6	Confident	63	Low	65 Å²	65	76.9 Å²	76.9	25%	0.245	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.8	168.9	70.4	-174.9	-170.6	172.4	0.4	111.2	W963 Y989 E990 C1026 S1027	W963-R1017 HydrophobicContact CD2-CG 4.22Å; W963-R1017 HydrophobicContact CE3-CG 3.66Å; W963-R1017 HydrophobicContact CH2-CB 3.96Å; W963-R1017 HydrophobicContact CH2-CG 3.89Å; W963-R1017 HydrophobicContact CZ2-CG 4.43Å; W963-R1017 HydrophobicContact CZ3-CB 3.86Å; W963-R1017 HydrophobicContact CZ3-CG 3.47Å; W963-R1017 VanDerWaalsContact CZ3-CG 3.47Å; Y989-R1017 WeakPolarHBondContact CA-O 3.34Å; E990-R1017 HydrophobicContact CB-CG 3.9Å; E990-R1017 PolarHBondContact N-O 3.32Å; E990-R1017 PolarHBondContact O-N 2.95Å; E990-R1017 IonicContact OE2-CZ 2.7Å; E990-R1017 IonicContact OE2-NE 3.16Å; E990-R1017 PolarHBondContact OE2-NE 2.68Å; E990-R1017 IonicContact OE2-NH2 3.8Å; E990-R1017 PolarHBondContact OE2-NH2 3.13Å; R1017-C1026 HydrophobicContact CB-CB 4.08Å; R1017-C1026 VanDerWaalsContact CD-CB 3.49Å; R1017-C1026 HydrophobicContact CG-CB 3.79Å; R1017-S1027 CarbonylContact C-O 3.49Å; R1017-S1027 WeakPolarHBondContact CA-O 3.35Å
1018	K	76.2	Confident	63.2	Low	73 Å²	73	78.9 Å²	78.9	32%	0.317	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.4	173.5	-178.2	179.1	-174.9	174.4	0	108.7	V987 Y989 F1020 C1026 S1027 V1029	V987-K1018 HydrophobicContact CG1-CD 4.34Å; V987-K1018 HydrophobicContact CG1-CG 3.65Å; Y989-K1018 HydrophobicContact CD1-CB 3.99Å; Y989-K1018 HydrophobicContact CD1-CG 4.25Å; Y989-K1018 HydrophobicContact CE1-CB 3.73Å; Y989-K1018 HydrophobicContact CE1-CD 4Å; Y989-K1018 HydrophobicContact CE1-CG 3.67Å; K1018-F1020 HydrophobicContact CD-CZ 4.41Å; K1018-F1020 HydrophobicContact CG-CE2 4.42Å; K1018-C1026 CarbonylContact O-C 3.51Å; K1018-C1026 VanDerWaalsContact O-CA 3.28Å; K1018-C1026 WeakPolarHBondContact O-CA 3.13Å; K1018-S1027 PolarHBondContact N-O 3.27Å; K1018-S1027 PolarHBondContact O-N 2.76Å; K1018-S1027 PolarHBondContact O-OG 2.67Å; K1018-V1029 HydrophobicContact CB-CG2 4.42Å
1019	C	74.4	Confident	63.4	Low	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.8	-176.1	-65	0	0	0	0	112.1	V987 Y988 C1026	V987-C1019 WeakPolarHBondContact CA-O 3.49Å; Y988-C1019 HydrophobicContact CD1-CB 4.43Å; Y988-C1019 HydrophobicContact CD2-CB 3.67Å; Y988-C1019 HydrophobicContact CE1-CB 4.05Å; Y988-C1019 HydrophobicContact CE2-CB 3.17Å; Y988-C1019 VanDerWaalsContact CE2-SG 3.57Å; Y988-C1019 HydrophobicContact CG-CB 4.27Å; Y988-C1019 PolarHBondContact N-O 3.39Å; Y988-C1019 PolarHBondContact O-N 2.95Å; C1019-C1026 HydrophobicContact CB-CB 4.03Å; C1019-C1026 WeakPolarHBondContact CB-SG 3.44Å; C1019-C1026 WeakPolarHBondContact SG-CB 3.12Å; C1019-C1026 CovalentContact SG-SG 2.04Å; C1019-C1026 PolarHBondContact SG-SG 3.36Å
1020	F	72.5	Confident	62.6	Low	87 Å²	87	76.6 Å²	76.6	38%	0.382	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	176.3	-66.4	-92.2	0	0	0	110.8	R986 V987 K1018 I1022 D1023 Q1024 K1025	R986-F1020 WeakPolarHBondContact O-CA 3.42Å; V987-F1020 HydrophobicContact CG2-CD1 3.81Å; V987-F1020 HydrophobicContact CG2-CE1 3.74Å; K1018-F1020 HydrophobicContact CD-CZ 4.41Å; K1018-F1020 HydrophobicContact CG-CE2 4.42Å; F1020-I1022 PolarHBondContact O-N 2.77Å; F1020-D1023 PolarHBondContact O-N 2.84Å; F1020-Q1024 PolarHBondContact O-N 2.84Å; F1020-K1025 PolarHBondContact N-O 2.89Å
1021	N	59.3	Low	61.6	Low	99 Å²	99	79.6 Å²	79.6	53%	0.529	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	3.2	-166.7	-146	22.7	0	0	0	114.7	R986 Y988	R986-N1021 WeakPolarHBondContact O-CB 3.47Å; R986-N1021 PolarHBondContact O-N 2.87Å; Y988-N1021 HydrophobicContact CD1-CB 4.44Å; Y988-N1021 HydrophobicContact CE1-CB 4.47Å; Y988-N1021 WeakPolarHBondContact CE1-OD1 3.38Å
1022	I	55.2	Low	60.3	Low	106 Å²	106	85 Å²	85	54%	0.544	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-42.3	-178.2	-65.1	-178.4	0	0	0	111.2	R986 F1020	R986-I1022 HydrophobicContact CG-CD1 4.25Å; F1020-I1022 PolarHBondContact O-N 2.77Å
1023	D	56.2	Low	58.7	Low	89 Å²	89	88.4 Å²	88.4	48%	0.476	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-11.9	-171.8	-80.1	34.7	0	0	0	113.9	F1020 K1025	F1020-D1023 PolarHBondContact O-N 2.84Å; D1023-K1025 HydrophobicContact CB-CB 3.91Å; D1023-K1025 HydrophobicContact CB-CD 3.96Å; D1023-K1025 HydrophobicContact CB-CG 3.88Å; D1023-K1025 PolarHBondContact O-N 2.76Å; D1023-K1025 WeakPolarHBondContact OD2-CD 3.35Å; D1023-K1025 WeakPolarHBondContact OD2-CE 3.44Å; D1023-K1025 IonicContact OD2-NZ 3.83Å; D1023-K1025 PolarHBondContact OD2-NZ 3.4Å
1024	Q	53.5	Low	56.7	Low	173 Å²	173	92.2 Å²	92.2	81%	0.808	48%	0.483	S	S	*	.			trans	53.4	0.2	-158.5	-62.6	-169.8	-0.8	0	0	115.2	F1020 C1026	F1020-Q1024 PolarHBondContact O-N 2.84Å; Q1024-C1026 PolarHBondContact O-N 3.44Å
1025	K	64.3	Low	54.6	Low	139 Å²	139	92.5 Å²	92.5	60%	0.604	49%	0.494	S	S	*	.			trans	-64.5	121.9	172.7	-72.4	173.6	-165.5	149	0	109.7	F1020 D1023	F1020-K1025 PolarHBondContact N-O 2.89Å; D1023-K1025 HydrophobicContact CB-CB 3.91Å; D1023-K1025 HydrophobicContact CB-CD 3.96Å; D1023-K1025 HydrophobicContact CB-CG 3.88Å; D1023-K1025 PolarHBondContact O-N 2.76Å; D1023-K1025 WeakPolarHBondContact OD2-CD 3.35Å; D1023-K1025 WeakPolarHBondContact OD2-CE 3.44Å; D1023-K1025 IonicContact OD2-NZ 3.83Å; D1023-K1025 PolarHBondContact OD2-NZ 3.4Å
1026	C	69.8	Low	52.5	Low	36 Å²	36	98.9 Å²	98.9	24%	0.243	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.2	169.6	-55.5	0	0	0	0	109.3	R1017 K1018 C1019 Q1024	R1017-C1026 HydrophobicContact CB-CB 4.08Å; R1017-C1026 VanDerWaalsContact CD-CB 3.49Å; R1017-C1026 HydrophobicContact CG-CB 3.79Å; K1018-C1026 CarbonylContact O-C 3.51Å; K1018-C1026 VanDerWaalsContact O-CA 3.28Å; K1018-C1026 WeakPolarHBondContact O-CA 3.13Å; C1019-C1026 HydrophobicContact CB-CB 4.03Å; C1019-C1026 WeakPolarHBondContact CB-SG 3.44Å; C1019-C1026 WeakPolarHBondContact SG-CB 3.12Å; C1019-C1026 CovalentContact SG-SG 2.04Å; C1019-C1026 PolarHBondContact SG-SG 3.36Å; Q1024-C1026 PolarHBondContact O-N 3.44Å
1027	S	68.9	Low	50.4	Low	59 Å²	59	101.6 Å²	101.6	41%	0.413	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.3	167.8	51.2	0	0	0	0	108.8	R1017 K1018 V1029	R1017-S1027 CarbonylContact C-O 3.49Å; R1017-S1027 WeakPolarHBondContact CA-O 3.35Å; K1018-S1027 PolarHBondContact N-O 3.27Å; K1018-S1027 PolarHBondContact O-N 2.76Å; K1018-S1027 PolarHBondContact O-OG 2.67Å; S1027-V1029 PolarHBondContact O-N 2.79Å
1028	T	50.8	Low	48.1	Very low	93 Å²	93	105.3 Å²	105.3	57%	0.571	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-53.3	134.8	164.6	43.4	0	0	0	0	109.6	S1030	T1028-S1030 VanDerWaalsContact C-N 3.34Å; T1028-S1030 PolarHBondContact O-N 3.32Å
1029	V	55.8	Low	45.7	Very low	73 Å²	73	110.8 Å²	110.8	44%	0.442	59%	0.592	S	S	.	*			trans	-72.8	98.2	166.9	-176.5	0	0	0	0	105.9	E1016 K1018 S1027 N1031	E1016-V1029 HydrophobicContact CB-CB 4.44Å; E1016-V1029 HydrophobicContact CB-CG2 4.24Å; E1016-V1029 HydrophobicContact CG-CG2 4.08Å; E1016-V1029 PolarHBondContact O-N 2.88Å; K1018-V1029 HydrophobicContact CB-CG2 4.42Å; S1027-V1029 PolarHBondContact O-N 2.79Å; V1029-N1031 PolarHBondContact O-N 2.85Å
1030	S	37.1	Very low	43.6	Very low	82 Å²	82	117.3 Å²	117.3	57%	0.573	62%	0.622	S	S	*	*			trans	-69.5	118.3	-178.4	51.5	0	0	0	0	109.7	T1028 I1032	T1028-S1030 VanDerWaalsContact C-N 3.34Å; T1028-S1030 PolarHBondContact O-N 3.32Å; S1030-I1032 PolarHBondContact O-N 2.91Å
1031	N	30.4	Very low	41.6	Very low	137 Å²	137	118.8 Å²	118.8	73%	0.733	63%	0.634	S	S	*	*			trans	-55.4	112.3	159.3	-70.3	-7	0	0	0	107.3	V1029 I1033	V1029-N1031 PolarHBondContact O-N 2.85Å; N1031-I1033 VanDerWaalsContact C-N 3.32Å; N1031-I1033 HydrophobicContact CB-CD1 4.29Å; N1031-I1033 HydrophobicContact CB-CG1 4.25Å; N1031-I1033 PolarHBondContact O-N 3.43Å
1032	I	25.3	Very low	40.1	Very low	163 Å²	163	122.8 Å²	122.8	84%	0.836	64%	0.642	S	S	*	*			trans	-75.3	92.1	178.6	-60.3	-179.9	0	0	0	107.3	S1030	S1030-I1032 PolarHBondContact O-N 2.91Å
1033	I	25.8	Very low	38.8	Very low	125 Å²	125	121.1 Å²	121.1	64%	0.641	63%	0.633	S	S	*	*			trans	-101.7	121.9	174.6	-65	173.3	0	0	0	107.6	N1031	N1031-I1033 VanDerWaalsContact C-N 3.32Å; N1031-I1033 HydrophobicContact CB-CD1 4.29Å; N1031-I1033 HydrophobicContact CB-CG1 4.25Å; N1031-I1033 PolarHBondContact O-N 3.43Å
1034	N	24.2	Very low	37.5	Very low	145 Å²	145	121.4 Å²	121.4	78%	0.775	63%	0.634	S	S	*	*	S	Bend	trans	56.2	94.6	163.5	-57.8	-11.8	0	0	0	118.5
1035	S	24.8	Very low	36.1	Very low	102 Å²	102	117.3 Å²	117.3	71%	0.713	63%	0.625	S	S	*	*				179.3	146.2	126.2	55.5	0	0	0	0	111.6
1036	Q	29.3	Very low	34.4	Very low	181 Å²	181	115.9 Å²	115.9	85%	0.846	62%	0.62	S	S	*	*			trans	65.7	137.1	167.5	-67.8	176.1	-25	0	0	116.6
1037	T	27.9	Very low	32.3	Very low	106 Å²	106	118.6 Å²	118.6	65%	0.65	64%	0.636	S	S	*	*			cis	-157.3	159.5	-29.2	-6.7	0	0	0	0	107.4
1038	D	27.9	Very low	30.3	Very low	143 Å²	143	123.2 Å²	123.2	77%	0.765	65%	0.654	S	S	*	*			trans	67.3	135.9	157.8	-48.5	-29.5	0	0	0	120.8
1039	E	27.7	Very low	29.2	Very low	188 Å²	188	125.4 Å²	125.4	88%	0.879	66%	0.658	S	S	*	*	S	Bend	trans	1.5	103.6	158.2	-51.5	-171.3	131.8	0	0	119.8
1040	E	30	Very low	27.7	Very low	138 Å²	138	129.8 Å²	129.8	65%	0.645	67%	0.666	S	S	*	*	S	Bend		-178.6	-23.6	123.8	-102.4	-179.7	174.7	0	0	112.6	R1042	E1040-R1042 VanDerWaalsContact C-N 3.29Å; E1040-R1042 PolarHBondContact O-N 3.24Å; E1040-R1042 VanDerWaalsContact O-N 3.09Å
1041	N	30.4	Very low	27.1	Very low	117 Å²	117	129.5 Å²	129.5	63%	0.626	66%	0.664	S	S	*	*			trans	-84.4	26.2	-170.5	-70.6	36.1	0	0	0	115.8	I1043 Q1546	N1041-I1043 PolarHBondContact O-N 3.06Å; N1041-Q1546 VanDerWaalsContact CG-NE2 3.28Å; N1041-Q1546 PolarHBondContact ND2-OE1 2.87Å; N1041-Q1546 VanDerWaalsContact ND2-OE1 3.13Å; N1041-Q1546 PolarHBondContact OD1-NE2 2.78Å; N1041-Q1546 PolarHBondContact OD1-OE1 3.17Å
1042	R	26.8	Very low	26.8	Very low	184 Å²	184	125.6 Å²	125.6	69%	0.694	64%	0.644	S	S	*	*			trans	-85.5	42.1	-177.5	-166	171	166.6	164.6	-4.9	113.3	N869 E1040	N869-R1042 PolarHBondContact ND2-NE 3.49Å; N869-R1042 PolarHBondContact OD1-NH2 2.99Å; E1040-R1042 VanDerWaalsContact C-N 3.29Å; E1040-R1042 PolarHBondContact O-N 3.24Å; E1040-R1042 VanDerWaalsContact O-N 3.09Å
1043	I	28.4	Very low	26.9	Very low	70 Å²	70	122.5 Å²	122.5	36%	0.359	64%	0.636	S	S	.	*	S	Bend	trans	-145.8	47.2	175.9	-36.6	169.7	0	0	0	110.7	N1041 R1548	N1041-I1043 PolarHBondContact O-N 3.06Å; I1043-R1548 HydrophobicContact CD1-CG 3.61Å
1044	L	28	Very low	26.9	Very low	96 Å²	96	122.6 Å²	122.6	50%	0.503	64%	0.637	S	S	.	*	S	Bend	trans	-153	48.3	170.7	-159.9	67.8	0	0	0	111.2	C1545	L1044-C1545 HydrophobicContact CD1-CB 3.95Å
1045	S	25.5	Very low	26.9	Very low	87 Å²	87	125 Å²	125	61%	0.608	64%	0.635	S	S	*	*	S	Bend	trans	-139.6	31.6	-176.9	65.8	0	0	0	0	112.8
1046	E	27.3	Very low	27	Very low	109 Å²	109	122.5 Å²	122.5	51%	0.509	62%	0.618	S	S	.	*	S	Bend	trans	-147.1	55	174.4	-104.4	159.7	-157.7	0	0	107	Q867	Q867-E1046 WeakPolarHBondContact CB-OE1 3.3Å
1047	T	26.8	Very low	26.8	Very low	93 Å²	93	120 Å²	120	57%	0.571	62%	0.617	S	S	*	*			trans	-160.9	35.7	-174.8	-15.5	0	0	0	0	112.6
1048	I	27.2	Very low	26.9	Very low	156 Å²	156	119.1 Å²	119.1	80%	0.8	60%	0.602	S	S	*	*			trans	-115.3	55.7	-175.7	-45.9	-178.4	0	0	0	110.7
1049	E	26	Very low	27	Very low	139 Å²	139	114.5 Å²	114.5	65%	0.65	58%	0.581	S	S	*	*	S	Bend	trans	-156.6	28.4	164.6	-128.7	177.2	-105.7	0	0	115.2	V881	V881-E1049 HydrophobicContact CG2-CB 4.25Å; V881-E1049 VanDerWaalsContact CG2-OE2 3.27Å; V881-E1049 WeakPolarHBondContact CG2-OE2 3.38Å
1050	R	24.7	Very low	27.2	Very low	164 Å²	164	110.5 Å²	110.5	62%	0.619	56%	0.562	S	S	*	*			trans	-164.9	101.6	169.9	-102.8	146	-167.4	-125.9	3.5	112.1
1051	S	25	Very low	27.1	Very low	76 Å²	76	112.6 Å²	112.6	53%	0.531	56%	0.564	S	S	.	*	S	Bend	trans	167.4	128.1	144.5	39.9	0	0	0	0	113.3
1052	N	24.7	Very low	27.3	Very low	56 Å²	56	107.8 Å²	107.8	30%	0.299	54%	0.54	S	S	.	.			trans	44	69.6	151.7	-64.9	-25.6	0	0	0	120	R972 T1542	R972-N1052 PolarHBondContact NH2-ND2 3.33Å; N1052-T1542 PolarHBondContact ND2-OG1 3.25Å
1053	S	26.8	Very low	27.6	Very low	97 Å²	97	103 Å²	103	68%	0.678	53%	0.526	S	S	*	.			trans	-100.6	83	153.9	43.8	0	0	0	0	110	W1055	S1053-W1055 PolarHBondContact O-N 2.84Å
1054	I	25.5	Very low	27.7	Very low	127 Å²	127	100.9 Å²	100.9	65%	0.651	52%	0.517	S	S	*	.				40.3	70.6	99.1	-48.4	175.6	0	0	0	112.2
1055	W	25	Very low	27.7	Very low	197 Å²	197	102 Å²	102	75%	0.746	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-81.9	119.4	157.2	-77.5	82.6	0	0	0	108.9	S1053 W1058	S1053-W1055 PolarHBondContact O-N 2.84Å; W1055-W1058 AromaticContact CE3-CD1 3.53Å; W1055-W1058 AromaticContact CE3-NE1 3.52Å; W1055-W1058 AromaticContact CZ3-CD1 3.66Å; W1055-W1058 AromaticContact CZ3-NE1 3.5Å
1056	S	26	Very low	28.1	Very low	49 Å²	49	100 Å²	100	34%	0.343	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-70.5	148.1	162.3	50.2	0	0	0	0	109.9	W1058	S1056-W1058 PolarHBondContact O-N 3.06Å
1057	P	25.5	Very low	28.2	Very low	129 Å²	129	102.2 Å²	102.2	84%	0.838	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-61.3	121.9	178.2	25.8	-34.2	0	0	0	110.7	S1059	P1057-S1059 PolarHBondContact O-N 3.02Å
1058	W	29.8	Very low	28.2	Very low	86 Å²	86	101.3 Å²	101.3	33%	0.326	52%	0.516	S	S	.	.			trans	-89.1	102.3	-177.4	-85.3	106	0	0	0	112.6	L993 H995 T1012 W1055 S1056 F1087	L993-W1058 HydrophobicContact CD1-CH2 3.91Å; L993-W1058 HydrophobicContact CD1-CZ3 4.14Å; L993-W1058 HydrophobicContact CD2-CH2 4.2Å; H995-W1058 AromaticContact CE1-CH2 3.46Å; H995-W1058 VanDerWaalsContact CE1-CH2 3.46Å; H995-W1058 WeakPolarHBondContact CE1-CH2 3.37Å; H995-W1058 AromaticContact CE1-CZ3 3.37Å; H995-W1058 WeakPolarHBondContact CE1-CZ3 3.32Å; H995-W1058 AromaticContact NE2-CH2 3.22Å; H995-W1058 WeakPolarHBondContact NE2-CH2 3.34Å; H995-W1058 AromaticContact NE2-CZ2 3.9Å; H995-W1058 AromaticContact NE2-CZ3 3.31Å; H995-W1058 VanDerWaalsContact NE2-CZ3 3.31Å; H995-W1058 WeakPolarHBondContact NE2-CZ3 3.41Å; T1012-W1058 HydrophobicContact CG2-CH2 3.98Å; T1012-W1058 HydrophobicContact CG2-CZ2 3.78Å; T1012-W1058 WeakPolarHBondContact OG1-CZ2 3.33Å; W1055-W1058 AromaticContact CE3-CD1 3.53Å; W1055-W1058 AromaticContact CE3-NE1 3.52Å; W1055-W1058 AromaticContact CZ3-CD1 3.66Å; W1055-W1058 AromaticContact CZ3-NE1 3.5Å; S1056-W1058 PolarHBondContact O-N 3.06Å; W1058-F1087 HydrophobicContact CE3-CE1 4.19Å; W1058-F1087 AromaticContact CE3-CZ 3.95Å; W1058-F1087 HydrophobicContact CE3-CZ 3.95Å; W1058-F1087 HydrophobicContact CZ3-CE1 4.08Å; W1058-F1087 AromaticContact CZ3-CZ 3.75Å; W1058-F1087 HydrophobicContact CZ3-CZ 3.75Å
1059	S	30.1	Very low	28.2	Very low	47 Å²	47	101 Å²	101	33%	0.329	52%	0.515	S	S	.	.			trans	-67	148.3	159	52.8	0	0	0	0	112.3	P1057 F1087	P1057-S1059 PolarHBondContact O-N 3.02Å; S1059-F1087 WeakPolarHBondContact O-CE1 3.45Å; S1059-F1087 WeakPolarHBondContact O-CZ 3.08Å
1060	E	31.9	Very low	28.2	Very low	103 Å²	103	99 Å²	99	48%	0.481	51%	0.514	S	S	.	.	S	Bend	trans	63.2	45.8	130.1	-60.6	-179.5	150.3	0	0	123.2	F1087 S1088	E1060-F1087 HydrophobicContact CB-CB 4.47Å; E1060-F1087 HydrophobicContact CB-CD1 3.81Å; E1060-F1087 HydrophobicContact CB-CE1 4.3Å; E1060-F1087 HydrophobicContact CB-CG 4.12Å; E1060-F1087 WeakPolarHBondContact O-CD2 2.92Å; E1060-F1087 WeakPolarHBondContact O-CE2 2.87Å; E1060-F1087 WeakPolarHBondContact O-CG 3.42Å; E1060-F1087 PolarHBondContact O-N 3.02Å; E1060-F1087 VanDerWaalsContact O-N 3.15Å; E1060-F1087 WeakPolarHBondContact OE2-CA 3.32Å; E1060-S1088 PolarHBondContact OE2-N 2.71Å
1061	W	28	Very low	28.2	Very low	182 Å²	182	98.3 Å²	98.3	69%	0.689	52%	0.522	S	S	*	.			trans	60	102.3	153.1	-70.2	70.2	0	0	0	119	T1085 F1087	W1061-T1085 HydrophobicContact CB-CG2 3.75Å; W1061-T1085 HydrophobicContact CD2-CG2 3.53Å; W1061-T1085 HydrophobicContact CE3-CG2 3.34Å; W1061-T1085 HydrophobicContact CG-CG2 3.76Å; W1061-T1085 HydrophobicContact CZ3-CG2 4.04Å; W1061-F1087 VanDerWaalsContact O-CD2 3.28Å; W1061-F1087 WeakPolarHBondContact O-CD2 3.3Å; W1061-F1087 WeakPolarHBondContact O-CE2 3.43Å
1062	S	35.1	Very low	28.4	Very low	17 Å²	17	104 Å²	104	12%	0.119	54%	0.54	C	S	.	.			trans	-77.3	150.7	171.4	61.4	0	0	0	0	114.5	C1064	S1062-C1064 PolarHBondContact O-N 3.25Å
1063	E	31.7	Very low	28.6	Very low	83 Å²	83	107 Å²	107	39%	0.388	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-61.7	-25.1	-175.7	-68.8	176.4	102.6	0	0	115	N1065 Q1066 K1086	E1063-N1065 PolarHBondContact O-N 2.85Å; E1063-N1065 VanDerWaalsContact O-N 3.11Å; E1063-Q1066 PolarHBondContact O-N 3.44Å; E1063-K1086 VanDerWaalsContact CG-CE 3.42Å; E1063-K1086 WeakPolarHBondContact OE1-CE 3.28Å; E1063-K1086 IonicContact OE1-NZ 2.71Å; E1063-K1086 PolarHBondContact OE1-NZ 2.83Å; E1063-K1086 IonicContact OE2-NZ 2.75Å
1064	C	30.6	Very low	28.6	Very low	26 Å²	26	109.1 Å²	109.1	18%	0.176	57%	0.567	C	S	.	*	G	3₁₀ helix	trans	-60.1	-25	-172.9	-61.8	0	0	0	0	114.6	C997 L1007 S1062	C997-C1064 HydrophobicContact CB-CB 3.91Å; C997-C1064 WeakPolarHBondContact CB-SG 3.48Å; C997-C1064 WeakPolarHBondContact SG-CB 3.42Å; C997-C1064 CovalentContact SG-SG 2.04Å; C997-C1064 PolarHBondContact SG-SG 3.2Å; L1007-C1064 HydrophobicContact CD2-CB 3.84Å; S1062-C1064 PolarHBondContact O-N 3.25Å
1065	N	28.9	Very low	28.8	Very low	119 Å²	119	108 Å²	108	64%	0.636	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-90.5	4.2	-178.2	-86.5	21.7	0	0	0	114.9	E1063	E1063-N1065 PolarHBondContact O-N 2.85Å; E1063-N1065 VanDerWaalsContact O-N 3.11Å
1066	Q	34.1	Very low	28.9	Very low	46 Å²	46	102.6 Å²	102.6	22%	0.215	56%	0.563	C	S	.	*	S	Bend	trans	-93.9	-7.3	-162.8	-62.2	-173	19.5	0	0	116.5	E1063 T1085	E1063-Q1066 PolarHBondContact O-N 3.44Å; Q1066-T1085 PolarHBondContact NE2-OG1 2.98Å; Q1066-T1085 PolarHBondContact OE1-OG1 3.46Å
1067	N	29.6	Very low	29.1	Very low	154 Å²	154	105.5 Å²	105.5	82%	0.824	58%	0.575	S	S	*	*	S	Bend	trans	-125.5	1.5	-166.1	-74.2	-26.8	0	0	0	116.8
1068	C	26.3	Very low	29.3	Very low	74 Å²	74	106.4 Å²	106.4	50%	0.5	57%	0.572	S	S	.	*			trans	-115.6	95.3	-179.5	-63.2	0	0	0	0	111.8
1069	I	26.8	Very low	29.2	Very low	150 Å²	150	108.5 Å²	108.5	77%	0.769	59%	0.586	S	S	*	*			trans	-134.6	117.2	162.7	-61.8	179.1	0	0	0	107.6	L1071	I1069-L1071 PolarHBondContact O-N 2.72Å
1070	P	26.4	Very low	29.1	Very low	97 Å²	97	111 Å²	111	63%	0.63	60%	0.595	S	S	*	*			trans	-65.1	126.2	171.3	-23.1	35	0	0	0	112.1	E1072	P1070-E1072 PolarHBondContact O-N 2.89Å
1071	L	25.2	Very low	29	Very low	150 Å²	150	112.4 Å²	112.4	79%	0.785	61%	0.606	S	S	*	*	S	Bend	trans	-87.1	75.3	-179	-85.4	153.5	0	0	0	112	I1069 I1074	I1069-L1071 PolarHBondContact O-N 2.72Å; L1071-I1074 HydrophobicContact CD2-CD1 4.26Å
1072	E	28.5	Very low	29.1	Very low	196 Å²	196	109.8 Å²	109.8	92%	0.916	60%	0.599	S	S	*	*			trans	-157.7	48.6	165.9	-127.9	167.6	-132.7	0	0	116.4	P1070	P1070-E1072 PolarHBondContact O-N 2.89Å
1073	S	28	Very low	28.8	Very low	117 Å²	117	115.1 Å²	115.1	82%	0.818	62%	0.622	S	S	*	*	S	Bend	trans	-149.8	30.5	164.1	59.9	0	0	0	0	114.2
1074	I	27.4	Very low	28.5	Very low	142 Å²	142	116.5 Å²	116.5	73%	0.728	63%	0.629	S	S	*	*			trans	-104.4	114.1	179	-62.3	169.5	0	0	0	110.2	L1071	L1071-I1074 HydrophobicContact CD2-CD1 4.26Å
1075	S	29.1	Very low	28.3	Very low	103 Å²	103	117.4 Å²	117.4	72%	0.72	63%	0.633	S	S	*	*			trans	-135.9	95.6	154.1	58.6	0	0	0	0	106.8
1076	S	28.4	Very low	28.2	Very low	84 Å²	84	117.6 Å²	117.6	59%	0.587	63%	0.629	S	S	*	*				68.3	114.5	80.9	72	0	0	0	0	111.6
1077	D	29.9	Very low	27.7	Very low	111 Å²	111	117.9 Å²	117.9	59%	0.594	63%	0.629	S	S	*	*			cis	-150.2	167.2	-1.1	-87.8	-51.3	0	0	0	108	Q1079	D1077-Q1079 WeakPolarHBondContact OD1-CG 3.43Å; D1077-Q1079 PolarHBondContact OD1-NE2 3.28Å
1078	D	29.5	Very low	27.6	Very low	148 Å²	148	113.1 Å²	113.1	79%	0.791	61%	0.608	S	S	*	*			cis	-91.2	173.1	3.7	-66.2	-73.7	0	0	0	113.1
1079	Q	28.7	Very low	27.6	Very low	129 Å²	129	112 Å²	112	60%	0.603	60%	0.601	S	S	*	*			cis	76.6	152	20.8	-69	-167.4	66.2	0	0	116.7	D1077	D1077-Q1079 WeakPolarHBondContact OD1-CG 3.43Å; D1077-Q1079 PolarHBondContact OD1-NE2 3.28Å
1080	L	28	Very low	27.4	Very low	100 Å²	100	110.5 Å²	110.5	52%	0.524	60%	0.599	S	S	.	*			cis	-165.2	112.1	-30.7	174.5	73.3	0	0	0	109.4
1081	D	29.3	Very low	27.4	Very low	133 Å²	133	109.8 Å²	109.8	71%	0.711	59%	0.589	S	S	*	*			trans	-177.7	145.3	148	-102.5	-7.5	0	0	0	113
1082	K	30.5	Very low	27.3	Very low	126 Å²	126	107.6 Å²	107.6	55%	0.548	58%	0.578	S	S	.	*			cis	-169	133.6	-43.5	-115.8	-173.7	-151.9	85.9	0	107.5
1083	Q	27.8	Very low	27	Very low	130 Å²	130	107 Å²	107	61%	0.607	57%	0.568	S	S	*	*			trans	57.6	107.1	148.8	-58.8	-166.4	-80	0	0	119
1084	Q	26.4	Very low	26.9	Very low	111 Å²	111	107.4 Å²	107.4	52%	0.519	57%	0.566	S	S	.	*				83.2	94.8	86.4	-77.6	172.3	-42.7	0	0	115.8
1085	T	25.2	Very low	26.8	Very low	45 Å²	45	104.8 Å²	104.8	28%	0.276	56%	0.56	S	S	.	*				52.6	128.4	126	60.7	0	0	0	0	122.1	W1061 Q1066	W1061-T1085 HydrophobicContact CB-CG2 3.75Å; W1061-T1085 HydrophobicContact CD2-CG2 3.53Å; W1061-T1085 HydrophobicContact CE3-CG2 3.34Å; W1061-T1085 HydrophobicContact CG-CG2 3.76Å; W1061-T1085 HydrophobicContact CZ3-CG2 4.04Å; Q1066-T1085 PolarHBondContact NE2-OG1 2.98Å; Q1066-T1085 PolarHBondContact OE1-OG1 3.46Å
1086	K	27.3	Very low	26.6	Very low	124 Å²	124	107.2 Å²	107.2	54%	0.539	57%	0.565	S	S	.	*				177.4	140.1	107.5	-98.5	176.4	178.3	-174.3	0	113.7	E1063	E1063-K1086 VanDerWaalsContact CG-CE 3.42Å; E1063-K1086 WeakPolarHBondContact OE1-CE 3.28Å; E1063-K1086 IonicContact OE1-NZ 2.71Å; E1063-K1086 PolarHBondContact OE1-NZ 2.83Å; E1063-K1086 IonicContact OE2-NZ 2.75Å
1087	F	24	Very low	26.5	Very low	52 Å²	52	112 Å²	112	23%	0.228	58%	0.578	C	S	.	*			trans	-9.4	138.5	152.9	-84.3	-70.1	0	0	0	118.7	H995 W1058 S1059 E1060 W1061	H995-F1087 AromaticContact CE1-CZ 3.92Å; W1058-F1087 HydrophobicContact CE3-CE1 4.19Å; W1058-F1087 AromaticContact CE3-CZ 3.95Å; W1058-F1087 HydrophobicContact CE3-CZ 3.95Å; W1058-F1087 HydrophobicContact CZ3-CE1 4.08Å; W1058-F1087 AromaticContact CZ3-CZ 3.75Å; W1058-F1087 HydrophobicContact CZ3-CZ 3.75Å; S1059-F1087 WeakPolarHBondContact O-CE1 3.45Å; S1059-F1087 WeakPolarHBondContact O-CZ 3.08Å; E1060-F1087 HydrophobicContact CB-CB 4.47Å; E1060-F1087 HydrophobicContact CB-CD1 3.81Å; E1060-F1087 HydrophobicContact CB-CE1 4.3Å; E1060-F1087 HydrophobicContact CB-CG 4.12Å; E1060-F1087 WeakPolarHBondContact O-CD2 2.92Å; E1060-F1087 WeakPolarHBondContact O-CE2 2.87Å; E1060-F1087 WeakPolarHBondContact O-CG 3.42Å; E1060-F1087 PolarHBondContact O-N 3.02Å; E1060-F1087 VanDerWaalsContact O-N 3.15Å; E1060-F1087 WeakPolarHBondContact OE2-CA 3.32Å; W1061-F1087 VanDerWaalsContact O-CD2 3.28Å; W1061-F1087 WeakPolarHBondContact O-CD2 3.3Å; W1061-F1087 WeakPolarHBondContact O-CE2 3.43Å
1088	S	26.7	Very low	26.3	Very low	54 Å²	54	116.7 Å²	116.7	38%	0.378	59%	0.589	S	S	.	*				179.8	139.7	91.6	-172.7	0	0	0	0	113.4	E1060	E1060-S1088 PolarHBondContact OE2-N 2.71Å
1089	S	25.8	Very low	26.1	Very low	50 Å²	50	117.2 Å²	117.2	35%	0.35	59%	0.587	S	S	.	*			trans	-56.7	136.9	178.4	45.9	0	0	0	0	116.3
1090	T	23.1	Very low	25.8	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.724	60%	0.599	S	S	*	*			trans	39.3	117.6	133.9	-41.6	0	0	0	0	119.4
1091	I	26.4	Very low	25.6	Very low	83 Å²	83	123.7 Å²	123.7	43%	0.426	62%	0.615	S	S	.	*				-176.3	155	125.8	-97.5	146.9	0	0	0	115	F964 K965	F964-I1091 VanDerWaalsContact C-CD1 3.48Å; F964-I1091 HydrophobicContact CB-CD1 3.54Å; K965-I1091 HydrophobicContact CB-CD1 3.75Å; K965-I1091 HydrophobicContact CB-CG1 4.38Å; K965-I1091 HydrophobicContact CG-CD1 4.44Å; K965-I1091 WeakPolarHBondContact O-CD1 3.18Å
1092	L	22.8	Very low	25.3	Very low	104 Å²	104	123.3 Å²	123.3	55%	0.545	62%	0.617	S	S	.	*			trans	-55.8	133	172.2	-54.3	125.8	0	0	0	112.8
1093	Y	23.6	Very low	25	Very low	184 Å²	184	128.7 Å²	128.7	72%	0.722	63%	0.634	S	S	*	*				171.2	158.2	97.4	-90.7	-65.2	0	0	0	113
1094	T	26	Very low	25	Very low	125 Å²	125	130.8 Å²	130.8	77%	0.767	64%	0.641	S	S	*	*			trans	49.4	100	156.1	51.2	0	0	0	0	120.6
1095	S	24.5	Very low	24.8	Very low	86 Å²	86	131 Å²	131	60%	0.601	65%	0.653	S	S	*	*	S	Bend		53.9	100.6	116.7	-176.1	0	0	0	0	119.8
1096	N	24.1	Very low	24.9	Very low	155 Å²	155	135.8 Å²	135.8	83%	0.829	68%	0.677	S	S	*	*			trans	69	45.6	141.5	-56.1	2.8	0	0	0	119.1
1097	Q	28.1	Very low	25	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	68%	0.681	S	S	*	*			trans	-133.5	132.3	157.7	-69.5	-167.3	-12.3	0	0	112
1098	Y	24.9	Very low	25.1	Very low	208 Å²	208	137.5 Å²	137.5	82%	0.816	71%	0.71	S	S	*	*			trans	-97	145.7	172.5	-70.9	-96.1	0	0	0	109.6
1099	Q	24.3	Very low	25.1	Very low	160 Å²	160	141.6 Å²	141.6	75%	0.748	73%	0.733	S	S	*	*			trans	-130.4	126.7	162.9	-76	-163.8	-1.8	0	0	111
1100	T	24	Very low	25.1	Very low	141 Å²	141	144.4 Å²	144.4	87%	0.865	75%	0.752	S	S	*	*			trans	-81.3	135.8	168.4	42.7	0	0	0	0	110.8
1101	R	23.4	Very low	25.3	Very low	224 Å²	224	144.1 Å²	144.1	85%	0.845	75%	0.754	S	S	*	*			trans	-132.3	115.8	167.6	-75.5	-170.5	174.7	-166.3	-0.8	111.6
1102	T	23.6	Very low	25.3	Very low	125 Å²	125	148 Å²	148	77%	0.767	77%	0.771	S	S	*	*			trans	-97.8	140.2	167.3	55.6	0	0	0	0	110.3
1103	R	23.7	Very low	25.6	Very low	238 Å²	238	149 Å²	149	90%	0.898	78%	0.777	S	S	*	*			trans	174.7	155.3	154.5	-95.9	142.3	-162.6	-129.8	5.2	109.1
1104	K	27.2	Very low	25.8	Very low	175 Å²	175	146.8 Å²	146.8	76%	0.761	78%	0.777	S	S	*	*			cis	-178.7	105.6	-30.2	-118.8	-167.7	179.3	-168.6	0	104.3	L1106	K1104-L1106 HydrophobicContact CB-CD1 4.27Å; K1104-L1106 HydrophobicContact CD-CD1 4.47Å
1105	C	22.6	Very low	26	Very low	114 Å²	114	152.1 Å²	152.1	77%	0.77	78%	0.783	S	S	*	*			trans	-74.6	137.1	176.4	-55	0	0	0	0	110.2
1106	L	27.7	Very low	26	Very low	147 Å²	147	155.3 Å²	155.3	77%	0.77	79%	0.793	S	S	*	*			trans	-145.3	147.1	168.6	-78.4	101.3	0	0	0	109.8	K1104	K1104-L1106 HydrophobicContact CB-CD1 4.27Å; K1104-L1106 HydrophobicContact CD-CD1 4.47Å
1107	S	28.4	Very low	26.2	Very low	91 Å²	91	155.5 Å²	155.5	64%	0.636	79%	0.794	S	S	*	*			cis	174.9	117.2	-27.2	153.3	0	0	0	0	108.4
1108	S	25.7	Very low	26.2	Very low	120 Å²	120	149.2 Å²	149.2	84%	0.839	77%	0.774	S	S	*	*	S	Bend	trans	-153.8	1.6	163.1	58.4	0	0	0	0	117.3
1109	V	27	Very low	26.2	Very low	141 Å²	141	142.6 Å²	142.6	86%	0.855	76%	0.755	S	S	*	*			trans	-125.3	106.4	161.5	-173.8	0	0	0	0	108.7
1110	C	26	Very low	26.2	Very low	109 Å²	109	139.9 Å²	139.9	74%	0.736	74%	0.744	S	S	*	*			trans	-151.1	153.1	178.4	-88.7	0	0	0	0	109
1111	S	26.5	Very low	26.3	Very low	111 Å²	111	140 Å²	140	78%	0.776	74%	0.739	S	S	*	*			trans	68.4	115.4	-164.6	-159.2	0	0	0	0	111.5
1112	Q	27.4	Very low	26.2	Very low	165 Å²	165	136.1 Å²	136.1	77%	0.771	74%	0.735	S	S	*	*	S	Bend	cis	-121.5	144.7	43.1	-59.3	176.8	7.2	0	0	114.2
1113	N	28.8	Very low	26.2	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	74%	0.738	S	S	*	*			trans	47.4	131.6	145.7	-54.1	-25.4	0	0	0	120.2
1114	N	28.9	Very low	26.3	Very low	137 Å²	137	140 Å²	140	73%	0.733	74%	0.735	S	S	*	*			cis	-169	154.3	-9.6	-122.3	-35	0	0	0	109.4
1115	R	29.7	Very low	26	Very low	236 Å²	236	136.6 Å²	136.6	89%	0.891	73%	0.733	S	S	*	*			trans	64.7	131.5	171.3	-67.5	-179.1	169	150.1	-2	117.8
1116	L	24.8	Very low	26.3	Very low	154 Å²	154	137 Å²	137	81%	0.806	73%	0.734	S	S	*	*			trans	-74.9	153.6	158	-62.5	66.2	0	0	0	108.2
1117	D	28.3	Very low	26.1	Very low	158 Å²	158	135 Å²	135	85%	0.845	73%	0.732	S	S	*	*				-128.3	142.6	122.7	-98.2	-51.5	0	0	0	108.5
1118	A	27	Very low	26	Very low	54 Å²	54	136.8 Å²	136.8	45%	0.446	73%	0.728	S	S	.	*			trans	-80.6	167.2	-172.9	0	0	0	0	0	111.9	L1655	A1118-L1655 HydrophobicContact CB-CD1 3.91Å; A1118-L1655 VanDerWaalsContact O-CB 3.28Å; A1118-L1655 WeakPolarHBondContact O-CB 3.48Å; A1118-L1655 WeakPolarHBondContact O-CD1 3.43Å; A1118-L1655 WeakPolarHBondContact O-CG 3.14Å
1119	V	25.2	Very low	25.8	Very low	69 Å²	69	135.8 Å²	135.8	42%	0.418	72%	0.719	S	S	.	*			trans	-140.6	113.6	179.2	-178.3	0	0	0	0	107.8	I1653 G1654	V1119-I1653 HydrophobicContact CG2-CB 3.96Å; V1119-I1653 HydrophobicContact CG2-CG1 4.24Å; V1119-I1653 HydrophobicContact CG2-CG2 3.58Å; V1119-G1654 VanDerWaalsContact CG2-N 3.34Å
1120	I	25.1	Very low	25.8	Very low	103 Å²	103	134 Å²	134	53%	0.528	72%	0.719	S	S	.	*			trans	-106.6	104.6	-177.9	-60.4	173.6	0	0	0	108.5	L1122 L1655	I1120-L1122 HydrophobicContact CG2-CB 4.04Å; I1120-L1122 HydrophobicContact CG2-CD1 3.67Å; I1120-L1122 HydrophobicContact CG2-CG 3.53Å; I1120-L1122 PolarHBondContact O-N 3.1Å; I1120-L1655 HydrophobicContact CB-CD2 3.81Å; I1120-L1655 HydrophobicContact CD1-CD2 3.98Å; I1120-L1655 HydrophobicContact CG1-CD2 3.84Å; I1120-L1655 HydrophobicContact CG1-CG 4.47Å
1121	D	25.2	Very low	25.7	Very low	142 Å²	142	133.4 Å²	133.4	76%	0.759	72%	0.715	S	S	*	*			trans	-79.8	97.6	162	-168.2	1.9	0	0	0	110
1122	L	22.7	Very low	25.7	Very low	144 Å²	144	135.7 Å²	135.7	75%	0.754	71%	0.711	S	S	*	*			trans	-101.6	90.6	175	-103.5	169.2	0	0	0	109.5	I1120	I1120-L1122 HydrophobicContact CG2-CB 4.04Å; I1120-L1122 HydrophobicContact CG2-CD1 3.67Å; I1120-L1122 HydrophobicContact CG2-CG 3.53Å; I1120-L1122 PolarHBondContact O-N 3.1Å
1123	R	23.5	Very low	25.6	Very low	221 Å²	221	131.4 Å²	131.4	83%	0.834	70%	0.699	S	S	*	*			trans	-139.7	70	170.2	-133.5	165.9	-74.8	-142.3	2.8	116.2
1124	R	24.4	Very low	25.4	Very low	223 Å²	223	129.6 Å²	129.6	84%	0.842	71%	0.711	S	S	*	*			trans	46.1	111.8	146.2	-62.5	179	177.5	173.3	-0.5	117.9	P1126	R1124-P1126 WeakPolarHBondContact O-CD 3.45Å
1125	C	22	Very low	25.2	Very low	104 Å²	104	131.9 Å²	131.9	70%	0.703	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-63.5	119.9	146.3	-51.8	0	0	0	0	109.4
1126	P	27.1	Very low	25	Very low	122 Å²	122	124 Å²	124	79%	0.792	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-77.5	127.1	172.2	-11.6	29.9	0	0	0	109.7	R1124 K1128	R1124-P1126 WeakPolarHBondContact O-CD 3.45Å; P1126-K1128 PolarHBondContact O-N 2.8Å
1127	S	24.2	Very low	24.9	Very low	105 Å²	105	118.6 Å²	118.6	73%	0.734	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70.9	118.9	-180	58.6	0	0	0	0	112.2
1128	K	25.7	Very low	24.7	Very low	128 Å²	128	118.6 Å²	118.6	56%	0.557	65%	0.653	S	S	*	*			trans	167.9	147.2	133.7	-90.5	153.1	179.2	-170.7	0	111.3	P1126 A1130 I1187 I1188	P1126-K1128 PolarHBondContact O-N 2.8Å; K1128-A1130 PolarHBondContact O-N 2.84Å; K1128-I1187 PolarHBondContact NZ-O 2.66Å; K1128-I1188 HydrophobicContact CB-CD1 4.15Å; K1128-I1188 HydrophobicContact CD-CB 4.47Å; K1128-I1188 HydrophobicContact CD-CD1 3.88Å; K1128-I1188 HydrophobicContact CD-CG1 3.84Å; K1128-I1188 HydrophobicContact CD-CG2 4.01Å; K1128-I1188 HydrophobicContact CG-CD1 3.78Å; K1128-I1188 HydrophobicContact CG-CG1 4.25Å
1129	P	22.7	Very low	24.6	Very low	99 Å²	99	118.6 Å²	118.6	64%	0.643	65%	0.65	S	S	*	*			trans	-74.7	122.3	176	30.3	-33	0	0	0	110.8	C1131	P1129-C1131 PolarHBondContact O-N 3.22Å
1130	A	26.8	Very low	24.6	Very low	103 Å²	103	119.9 Å²	119.9	85%	0.851	65%	0.654	S	S	*	*			trans	-78.2	57.4	177.5	0	0	0	0	0	112.5	K1128 K1132	K1128-A1130 PolarHBondContact O-N 2.84Å; A1130-K1132 PolarHBondContact O-N 2.93Å
1131	C	23.2	Very low	24.7	Very low	97 Å²	97	121.6 Å²	121.6	66%	0.655	65%	0.654	S	S	*	*			trans	-69.5	76.8	166.6	-67.5	0	0	0	0	110.3	P1129	P1129-C1131 PolarHBondContact O-N 3.22Å
1132	K	27.7	Very low	24.8	Very low	159 Å²	159	119.9 Å²	119.9	69%	0.691	65%	0.653	S	S	*	*			trans	-161.3	77.9	159.5	-113.4	158.7	-172.4	174.8	0	112.2	A1130	A1130-K1132 PolarHBondContact O-N 2.93Å
1133	S	25.4	Very low	25	Very low	76 Å²	76	116.3 Å²	116.3	53%	0.531	64%	0.635	S	S	.	*				18.3	112.7	128.3	58.8	0	0	0	0	117	W1135	S1133-W1135 PolarHBondContact O-N 2.73Å
1134	G	24.5	Very low	25.1	Very low	88 Å²	88	110.7 Å²	110.7	91%	0.907	63%	0.629	S	S	*	*	S	Bend	trans	-63.7	5.1	158.4	0	0	0	0	0	114.3	S1136	G1134-S1136 PolarHBondContact O-N 3.07Å
1135	W	23.8	Very low	25.2	Very low	184 Å²	184	104 Å²	104	70%	0.697	61%	0.605	S	S	*	*			trans	-58.8	87.1	159.2	-70.1	80.4	0	0	0	109.2	T123 S1133 C1137	T123-W1135 HydrophobicContact CG2-CZ2 4.29Å; S1133-W1135 PolarHBondContact O-N 2.73Å; W1135-C1137 PolarHBondContact O-N 2.7Å
1136	S	25.8	Very low	25.6	Very low	71 Å²	71	104.4 Å²	104.4	50%	0.497	61%	0.607	S	S	.	*			trans	-58.4	110.8	150.9	81.4	0	0	0	0	105.6	G1134 W1138	G1134-S1136 PolarHBondContact O-N 3.07Å; S1136-W1138 PolarHBondContact O-N 3.26Å
1137	C	22.4	Very low	25.6	Very low	41 Å²	41	108.3 Å²	108.3	28%	0.277	61%	0.612	S	S	.	*			trans	-65.8	93.8	176.9	-66.3	0	0	0	0	107.6	W1135 S1139 R1171	W1135-C1137 PolarHBondContact O-N 2.7Å; C1137-S1139 PolarHBondContact O-N 2.86Å; C1137-R1171 PolarHBondContact O-NE 3.23Å; C1137-R1171 PolarHBondContact O-NH2 3.32Å
1138	W	24.3	Very low	25.9	Very low	157 Å²	157	112.6 Å²	112.6	60%	0.595	62%	0.617	S	S	*	*				-69.7	75.4	128.7	-61.2	85.8	0	0	0	106.7	S1136 D1140 V1723	S1136-W1138 PolarHBondContact O-N 3.26Å; W1138-D1140 PolarHBondContact O-N 3.22Å; W1138-V1723 HydrophobicContact CH2-CG1 3.84Å; W1138-V1723 HydrophobicContact CZ3-CG1 4.18Å
1139	S	24.8	Very low	26	Very low	54 Å²	54	116.8 Å²	116.8	38%	0.378	63%	0.631	S	S	.	*			trans	-49.6	126.8	131.5	48.5	0	0	0	0	105.4	C1137 W1141	C1137-S1139 PolarHBondContact O-N 2.86Å; S1139-W1141 PolarHBondContact O-N 3.36Å
1140	D	24.3	Very low	26.4	Very low	96 Å²	96	118.5 Å²	118.5	51%	0.513	64%	0.635	S	S	.	*			trans	-44.3	134.8	164	-87.4	-26.8	0	0	0	107.4	W1138 S1142 Q1726	W1138-D1140 PolarHBondContact O-N 3.22Å; D1140-S1142 VanDerWaalsContact C-N 3.34Å; D1140-S1142 PolarHBondContact O-N 3.04Å; D1140-Q1726 PolarHBondContact OD1-NE2 3.43Å
1141	W	27.4	Very low	26.6	Very low	139 Å²	139	119.4 Å²	119.4	53%	0.527	62%	0.619	S	S	.	*			trans	-57.3	114.8	158.8	-77.5	81.8	0	0	0	104.6	S1139 N1143	S1139-W1141 PolarHBondContact O-N 3.36Å; W1141-N1143 PolarHBondContact O-N 2.85Å
1142	S	27.3	Very low	27.1	Very low	106 Å²	106	123.5 Å²	123.5	74%	0.741	62%	0.621	S	S	*	*			trans	-69.2	76.4	176.1	56.4	0	0	0	0	107.1	D1140 C1144	D1140-S1142 VanDerWaalsContact C-N 3.34Å; D1140-S1142 PolarHBondContact O-N 3.04Å; S1142-C1144 PolarHBondContact O-N 3.32Å
1143	N	27.6	Very low	27.4	Very low	70 Å²	70	123.3 Å²	123.3	37%	0.374	63%	0.627	S	S	.	*			trans	-44.3	113.3	165.3	-84.3	-48.4	0	0	0	104.8	W1141 F1145	W1141-N1143 PolarHBondContact O-N 2.85Å; N1143-F1145 HydrophobicContact CB-CD1 3.63Å; N1143-F1145 HydrophobicContact CB-CD2 4.01Å; N1143-F1145 HydrophobicContact CB-CE1 3.43Å; N1143-F1145 VanDerWaalsContact CB-CE1 3.43Å; N1143-F1145 HydrophobicContact CB-CE2 3.82Å; N1143-F1145 HydrophobicContact CB-CG 3.93Å; N1143-F1145 HydrophobicContact CB-CZ 3.52Å; N1143-F1145 WeakPolarHBondContact O-CD2 3.35Å; N1143-F1145 PolarHBondContact O-N 2.83Å
1144	C	25.9	Very low	27.6	Very low	103 Å²	103	128.7 Å²	128.7	70%	0.696	64%	0.641	S	S	*	*			trans	-69.7	70.6	173	-72.3	0	0	0	0	106.7	S1142 P1146	S1142-C1144 PolarHBondContact O-N 3.32Å; C1144-P1146 WeakPolarHBondContact O-CD 3.42Å; C1144-P1146 VanDerWaalsContact O-N 3.1Å
1145	F	27	Very low	28.1	Very low	81 Å²	81	132.2 Å²	132.2	36%	0.355	64%	0.639	S	S	.	*			trans	-63.1	113.7	-171.5	-75.6	-53.7	0	0	0	106.9	N1143 K1147 R1728	N1143-F1145 HydrophobicContact CB-CD1 3.63Å; N1143-F1145 HydrophobicContact CB-CD2 4.01Å; N1143-F1145 HydrophobicContact CB-CE1 3.43Å; N1143-F1145 VanDerWaalsContact CB-CE1 3.43Å; N1143-F1145 HydrophobicContact CB-CE2 3.82Å; N1143-F1145 HydrophobicContact CB-CG 3.93Å; N1143-F1145 HydrophobicContact CB-CZ 3.52Å; N1143-F1145 WeakPolarHBondContact O-CD2 3.35Å; N1143-F1145 PolarHBondContact O-N 2.83Å; F1145-K1147 PolarHBondContact O-N 2.82Å; F1145-R1728 HydrophobicContact CE1-CG 4.45Å; F1145-R1728 HydrophobicContact CE2-CG 4.04Å; F1145-R1728 HydrophobicContact CZ-CG 3.65Å
1146	P	29.5	Very low	28.2	Very low	114 Å²	114	128.9 Å²	128.9	74%	0.74	64%	0.644	S	S	*	*			trans	-62.3	112.2	176.5	25.1	-32.2	0	0	0	107.7	C1144 K1148	C1144-P1146 WeakPolarHBondContact O-CD 3.42Å; C1144-P1146 VanDerWaalsContact O-N 3.1Å; P1146-K1148 PolarHBondContact O-N 3.35Å
1147	K	28.1	Very low	28.4	Very low	204 Å²	204	131.1 Å²	131.1	89%	0.887	66%	0.657	S	S	*	*	S	Bend	trans	-55.4	125.9	161.6	-79.6	-177.2	175.5	177.5	0	106.3	F1145	F1145-K1147 PolarHBondContact O-N 2.82Å
1148	K	29.8	Very low	28.6	Very low	195 Å²	195	134.7 Å²	134.7	85%	0.848	68%	0.681	S	S	*	*	S	Bend	trans	22.5	115	173.6	-70.3	-174.8	175.7	-177.2	0	115.9	P1146 D1150	P1146-K1148 PolarHBondContact O-N 3.35Å; K1148-D1150 PolarHBondContact O-N 3.44Å
1149	Y	27.6	Very low	28.8	Very low	216 Å²	216	131.7 Å²	131.7	85%	0.847	68%	0.684	S	S	*	*			trans	-35.7	97	164.2	-115.4	-77.6	0	0	0	112.7	K1151	Y1149-K1151 HydrophobicContact CD1-CG 4.03Å
1150	D	31	Very low	29	Very low	134 Å²	134	140.5 Å²	140.5	72%	0.717	71%	0.709	S	S	*	*			trans	-112.9	115	168.8	-169	-10.6	0	0	0	107.4	K1148 R1152	K1148-D1150 PolarHBondContact O-N 3.44Å; D1150-R1152 PolarHBondContact O-N 2.91Å
1151	K	30.5	Very low	29.1	Very low	122 Å²	122	147 Å²	147	53%	0.53	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	26.6	-151.2	-59.9	-179.4	75.9	177.3	0	112.8	Y1149 G1758	Y1149-K1151 HydrophobicContact CD1-CG 4.03Å; K1151-G1758 WeakPolarHBondContact CD-O 3.39Å; K1151-G1758 VanDerWaalsContact CE-O 3.22Å; K1151-G1758 WeakPolarHBondContact CE-O 3.39Å; K1151-G1758 PolarHBondContact NZ-O 2.89Å
1152	R	35.3	Very low	29.5	Very low	184 Å²	184	146.6 Å²	146.6	69%	0.694	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	1.7	-161	-58.2	-168.7	-171	-167.5	5.6	117.3	D1150 G1757	D1150-R1152 PolarHBondContact O-N 2.91Å; R1152-G1757 PolarHBondContact NH2-O 3.1Å
1153	N	32.4	Very low	29.9	Very low	154 Å²	154	149.1 Å²	149.1	82%	0.824	74%	0.74	S	S	*	*			trans	-128.2	117.8	172.7	-112	-21.6	0	0	0	112.6
1154	K	30.9	Very low	30.2	Very low	189 Å²	189	153.4 Å²	153.4	82%	0.822	76%	0.763	S	S	*	*			trans	-84.3	147.7	163.4	-66	179.8	179.5	179.8	0	107.9
1155	N	34.2	Very low	30.6	Very low	162 Å²	162	152.3 Å²	152.3	87%	0.866	77%	0.769	S	S	*	*			trans	75	113	-172.7	-49.3	-15.5	0	0	0	114.2
1156	S	26.3	Very low	30.6	Very low	115 Å²	115	154.6 Å²	154.6	80%	0.804	78%	0.781	S	S	*	*			trans	-142.8	152.7	161.7	62.1	0	0	0	0	109.2
1157	P	28.8	Very low	30.5	Very low	118 Å²	118	154.5 Å²	154.5	77%	0.766	78%	0.783	S	S	*	*	S	Bend	trans	-98.2	118.8	-150.4	34.4	-33.5	0	0	0	114.9
1158	C	26.6	Very low	30.4	Very low	115 Å²	115	150.7 Å²	150.7	78%	0.777	78%	0.777	S	S	*	*			trans	-159.4	80.6	155.2	-97.1	0	0	0	0	108.5
1159	S	29.5	Very low	30.2	Very low	95 Å²	95	150 Å²	150	66%	0.664	77%	0.769	S	S	*	*			trans	-135	105.3	-172.5	56.4	0	0	0	0	111.8
1160	W	29	Very low	30.2	Very low	239 Å²	239	145.8 Å²	145.8	91%	0.905	77%	0.766	S	S	*	*			trans	-138.3	121.4	157.1	-70	103.8	0	0	0	108
1161	R	27.4	Very low	29.8	Very low	232 Å²	232	147.3 Å²	147.3	88%	0.875	76%	0.762	S	S	*	*			trans	-121.9	129.1	159.2	-74.6	-175.6	178.6	-172.3	-0.5	104.5
1162	D	34.1	Very low	29.7	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	77%	0.769	S	S	*	*			trans	-111	147.6	163.3	-55	-40.7	0	0	0	106.6	D1164	D1162-D1164 PolarHBondContact O-N 3.46Å
1163	D	35.4	Very low	29.2	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-2.6	-148.9	-66.1	-61	0	0	0	116.5	G1165	D1163-G1165 PolarHBondContact O-N 2.9Å
1164	D	35.5	Very low	28.9	Very low	160 Å²	160	142.2 Å²	142.2	86%	0.856	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	6	-170.6	-65.1	-45.5	0	0	0	116	D1162 E1166	D1162-D1164 PolarHBondContact O-N 3.46Å; D1164-E1166 VanDerWaalsContact C-N 3.25Å; D1164-E1166 PolarHBondContact O-N 2.95Å
1165	G	32.8	Very low	28.6	Very low	79 Å²	79	139 Å²	139	81%	0.814	75%	0.753	S	S	*	*			trans	73.1	-13.3	167	0	0	0	0	0	118.4	D1163	D1163-G1165 PolarHBondContact O-N 2.9Å
1166	E	28.3	Very low	28.4	Very low	130 Å²	130	135.2 Å²	135.2	61%	0.607	74%	0.736	S	S	*	*			trans	-88.1	124.7	176.6	-73.9	-115.5	105.5	0	0	112.8	D1164 T1168 R1717	D1164-E1166 VanDerWaalsContact C-N 3.25Å; D1164-E1166 PolarHBondContact O-N 2.95Å; E1166-T1168 PolarHBondContact O-N 3.49Å; E1166-R1717 IonicContact OE1-CZ 3.59Å; E1166-R1717 IonicContact OE1-NH1 2.68Å; E1166-R1717 IonicContact OE1-NH2 3.94Å; E1166-R1717 PolarHBondContact OE1-NH2 2.78Å
1167	S	26.9	Very low	28.6	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	74%	0.736	S	S	*	*			trans	-91.8	76.9	-175.5	54.4	0	0	0	0	113.9	R1169	S1167-R1169 PolarHBondContact O-N 3.14Å
1168	T	25.9	Very low	28.7	Very low	124 Å²	124	140.1 Å²	140.1	76%	0.761	74%	0.739	S	S	*	*			trans	-67.2	112.6	175.7	54.2	0	0	0	0	112.2	E1166 T1170	E1166-T1168 PolarHBondContact O-N 3.49Å; T1168-T1170 PolarHBondContact O-N 2.93Å
1169	R	25.8	Very low	28.9	Very low	179 Å²	179	139.2 Å²	139.2	68%	0.675	73%	0.727	S	S	*	*			trans	-89.1	99.7	178.9	-71.6	-174.2	174.9	-169.4	-5.5	112.3	S1167	S1167-R1169 PolarHBondContact O-N 3.14Å
1170	T	26.7	Very low	28.8	Very low	129 Å²	129	143.2 Å²	143.2	79%	0.791	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-71.8	132.3	170.2	47.5	0	0	0	0	112.2	T1168	T1168-T1170 PolarHBondContact O-N 2.93Å
1171	R	24	Very low	29	Very low	166 Å²	166	137.5 Å²	137.5	63%	0.626	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-95.6	118.1	171.7	-99.7	-179	161.3	158	-2.8	110.8	C1137	C1137-R1171 PolarHBondContact O-NE 3.23Å; C1137-R1171 PolarHBondContact O-NH2 3.32Å
1172	T	27	Very low	29.1	Very low	113 Å²	113	132.4 Å²	132.4	69%	0.693	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-99.3	119.4	167.6	37.3	0	0	0	0	110.3
1173	C	24.8	Very low	29.2	Very low	88 Å²	88	134.3 Å²	134.3	60%	0.595	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-82.5	122.6	172.7	-63.5	0	0	0	0	109.6	L1175	C1173-L1175 PolarHBondContact O-N 2.95Å
1174	I	26.5	Very low	29.2	Very low	152 Å²	152	135.1 Å²	135.1	78%	0.779	72%	0.72	S	S	*	*			trans	-78.9	115.3	170.5	-60.1	177.1	0	0	0	107.5
1175	L	25.6	Very low	29	Very low	120 Å²	120	134.4 Å²	134.4	63%	0.628	71%	0.711	S	S	*	*			trans	-71	135.4	178.4	-63.6	167.8	0	0	0	110.1	C1173 D1179	C1173-L1175 PolarHBondContact O-N 2.95Å; L1175-D1179 HydrophobicContact CB-CB 4.37Å; L1175-D1179 HydrophobicContact CD2-CB 3.75Å
1176	T	28.8	Very low	28.9	Very low	83 Å²	83	140.1 Å²	140.1	51%	0.509	71%	0.714	S	S	.	*			trans	-79.6	163	167.5	73.5	0	0	0	0	109.8	Y1178 D1179	T1176-Y1178 PolarHBondContact O-N 2.82Å; T1176-D1179 PolarHBondContact O-N 2.67Å; T1176-D1179 PolarHBondContact OG1-OD2 3.09Å
1177	P	30.7	Very low	29	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-1	-174.9	-26.7	36.7	0	0	0	117.2
1178	Y	30.6	Very low	29.1	Very low	215 Å²	215	139.5 Å²	139.5	84%	0.843	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-13.6	178.3	-73.9	-81.3	0	0	0	114.5	T1176 Q1180	T1176-Y1178 PolarHBondContact O-N 2.82Å; Y1178-Q1180 PolarHBondContact O-N 3.31Å
1179	D	31.1	Very low	29.1	Very low	95 Å²	95	138.7 Å²	138.7	51%	0.508	70%	0.702	S	S	.	*			trans	-96	74.2	-172.2	-66.1	-62.3	0	0	0	113.5	L1175 T1176	L1175-D1179 HydrophobicContact CB-CB 4.37Å; L1175-D1179 HydrophobicContact CD2-CB 3.75Å; T1176-D1179 PolarHBondContact O-N 2.67Å; T1176-D1179 PolarHBondContact OG1-OD2 3.09Å
1180	Q	28.1	Very low	29.2	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	71%	0.71	S	S	*	*			trans	-114.3	72.3	177.1	-68.7	-166.6	-2.5	0	0	114.4	Y1178	Y1178-Q1180 PolarHBondContact O-N 3.31Å
1181	N	34.1	Very low	29.4	Very low	120 Å²	120	134 Å²	134	64%	0.642	70%	0.697	S	S	*	*			trans	-159.3	96	153.2	-154.3	-55.2	0	0	0	113.4	E1183	N1181-E1183 PolarHBondContact O-N 2.85Å
1182	P	29.5	Very low	29.8	Very low	125 Å²	125	136.3 Å²	136.3	81%	0.812	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-72.9	-18.3	-169.6	-23.3	35.7	0	0	0	117.7	K1184	P1182-K1184 PolarHBondContact O-N 3.05Å
1183	E	35.4	Very low	30.3	Very low	169 Å²	169	139 Å²	139	79%	0.79	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-80.6	-21.6	-160.7	-63.5	-161.4	133.7	0	0	115.6	N1181 Q1185	N1181-E1183 PolarHBondContact O-N 2.85Å; E1183-Q1185 PolarHBondContact O-N 3.48Å
1184	K	35.4	Very low	30.7	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-85.6	-2.7	-167.5	-76.5	-172	175.1	-179.9	0	116.8	P1182	P1182-K1184 PolarHBondContact O-N 3.05Å
1185	Q	31	Very low	30.8	Very low	144 Å²	144	143.8 Å²	143.8	67%	0.673	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-98.4	-2.7	-173.2	-67.1	-166.4	1.4	0	0	116.1	E1183 I1187	E1183-Q1185 PolarHBondContact O-N 3.48Å; Q1185-I1187 PolarHBondContact O-N 3.35Å
1186	K	31.2	Very low	31.1	Very low	200 Å²	200	144.3 Å²	144.3	87%	0.87	72%	0.722	S	S	*	*	S	Bend	trans	-89	7	-167.3	-113.2	179.5	179.6	-178.9	0	117.7
1187	I	30.8	Very low	31.2	Very low	146 Å²	146	147.3 Å²	147.3	75%	0.749	73%	0.728	S	S	*	*	S	Bend	trans	-126	26.1	-166.5	-49.1	-179.9	0	0	0	113	K1128 Q1185	K1128-I1187 PolarHBondContact NZ-O 2.66Å; Q1185-I1187 PolarHBondContact O-N 3.35Å
1188	I	29	Very low	31.2	Very low	82 Å²	82	149 Å²	149	42%	0.421	73%	0.725	S	S	.	*	S	Bend	trans	-126.7	-31.7	-174.7	-57	-175.8	0	0	0	114.1	K1128 N1190	K1128-I1188 HydrophobicContact CB-CD1 4.15Å; K1128-I1188 HydrophobicContact CD-CB 4.47Å; K1128-I1188 HydrophobicContact CD-CD1 3.88Å; K1128-I1188 HydrophobicContact CD-CG1 3.84Å; K1128-I1188 HydrophobicContact CD-CG2 4.01Å; K1128-I1188 HydrophobicContact CG-CD1 3.78Å; K1128-I1188 HydrophobicContact CG-CG1 4.25Å; I1188-N1190 PolarHBondContact O-N 3.24Å
1189	C	26.1	Very low	31.1	Very low	108 Å²	108	145 Å²	145	73%	0.73	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	101.8	174.3	-57.5	0	0	0	0	110.7
1190	N	27.8	Very low	30.9	Very low	157 Å²	157	143.5 Å²	143.5	84%	0.84	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-174.7	-10.7	154.4	-105.5	3.2	0	0	0	114.7	I1188	I1188-N1190 PolarHBondContact O-N 3.24Å
1191	G	31.1	Very low	30.9	Very low	52 Å²	52	142.9 Å²	142.9	54%	0.536	71%	0.709	S	S	.	*	S	Bend	trans	-93.6	-19.1	-179.9	0	0	0	0	0	116.2
1192	Y	31	Very low	30.6	Very low	215 Å²	215	142.8 Å²	142.8	84%	0.843	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-18.2	-165.5	-158.6	-110.4	0	0	0	114.5
1193	E	36.9	Very low	30.6	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-21.7	-178.2	-61.3	-163.3	145.3	0	0	113.8
1194	Q	33.7	Very low	30.1	Very low	162 Å²	162	134 Å²	134	76%	0.757	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-75.3	-35.6	177.7	-73.9	-175.1	-29.1	0	0	112.6	K1196	Q1194-K1196 PolarHBondContact O-N 3.07Å; Q1194-K1196 VanDerWaalsContact O-N 3.14Å
1195	M	29.3	Very low	29.7	Very low	179 Å²	179	132 Å²	132	88%	0.882	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-69.4	-5.6	176.9	-83.1	-174.4	139.9	0	0	114.6
1196	K	31.6	Very low	29.7	Very low	131 Å²	131	130 Å²	130	57%	0.57	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-102.6	13	-177.4	-141.8	-177.9	179.5	-178.1	0	114.4	Q1194 I1713	Q1194-K1196 PolarHBondContact O-N 3.07Å; Q1194-K1196 VanDerWaalsContact O-N 3.14Å; K1196-I1713 HydrophobicContact CD-CG2 4.36Å; K1196-I1713 HydrophobicContact CG-CD1 4.25Å; K1196-I1713 HydrophobicContact CG-CG2 4.26Å
1197	K	31.3	Very low	29.6	Very low	145 Å²	145	124.1 Å²	124.1	63%	0.63	65%	0.65	S	S	*	*	S	Bend	trans	-125.4	11.5	-174.1	-91.9	-178.1	171.1	178.1	0	115.7	L1714	K1197-L1714 HydrophobicContact CG-CD1 4.28Å
1198	Q	30.1	Very low	29.4	Very low	157 Å²	157	124.7 Å²	124.7	73%	0.734	65%	0.649	S	S	*	*	S	Bend	trans	-143.6	150.8	175.5	-65.2	-179	-19.4	0	0	110.8	I1200	Q1198-I1200 VanDerWaalsContact C-CD1 3.49Å
1199	C	28.7	Very low	29.3	Very low	131 Å²	131	126.4 Å²	126.4	89%	0.885	67%	0.667	S	S	*	*			trans	36.8	81.8	167.7	-59.9	0	0	0	0	119.6
1200	I	27.9	Very low	29.3	Very low	64 Å²	64	126.9 Å²	126.9	33%	0.328	67%	0.671	S	S	.	*			cis	118.6	-12.1	1.7	-71.8	170.2	0	0	0	118.2	Q1198 M1711 P1712	Q1198-I1200 VanDerWaalsContact C-CD1 3.49Å; I1200-M1711 HydrophobicContact CG2-CG 4.24Å; I1200-P1712 HydrophobicContact CB-CB 4.32Å; I1200-P1712 HydrophobicContact CB-CG 4.19Å; I1200-P1712 HydrophobicContact CD1-CG 3.86Å; I1200-P1712 HydrophobicContact CG1-CB 3.87Å; I1200-P1712 HydrophobicContact CG1-CG 3.69Å; I1200-P1712 HydrophobicContact CG2-CB 4.05Å; I1200-P1712 HydrophobicContact CG2-CG 3.61Å
1201	W	27.6	Very low	29.2	Very low	167 Å²	167	127 Å²	127	63%	0.633	67%	0.667	S	S	*	*			trans	-140.5	122.4	-156.2	-105.3	24.9	0	0	0	120.8	K1710 M1711	W1201-K1710 HydrophobicContact CB-CD 4.14Å; W1201-K1710 HydrophobicContact CB-CG 4.01Å; W1201-K1710 VanDerWaalsContact CD1-CG 3.46Å; W1201-K1710 HydrophobicContact CD2-CD 3.53Å; W1201-K1710 HydrophobicContact CD2-CG 4.02Å; W1201-K1710 HydrophobicContact CE3-CD 3.99Å; W1201-K1710 HydrophobicContact CG-CB 4.32Å; W1201-K1710 HydrophobicContact CG-CD 3.61Å; W1201-K1710 HydrophobicContact CG-CG 3.57Å; W1201-K1710 HydrophobicContact CZ2-CD 4.29Å; W1201-M1711 HydrophobicContact CZ2-CE 4.21Å; W1201-M1711 HydrophobicContact CZ2-SD 4.39Å; W1201-M1711 PolarHBondContact NE1-SD 2.95Å
1202	F	28.3	Very low	29	Very low	118 Å²	118	132.6 Å²	132.6	52%	0.518	68%	0.677	S	S	.	*			trans	66.2	163.9	169.6	-99.3	-3.9	0	0	0	120	K1710	F1202-K1710 HydrophobicContact CB-CD 4Å; F1202-K1710 HydrophobicContact CB-CG 4.06Å; F1202-K1710 HydrophobicContact CD1-CB 4.27Å; F1202-K1710 HydrophobicContact CD1-CD 3.43Å; F1202-K1710 VanDerWaalsContact CD1-CD 3.43Å; F1202-K1710 HydrophobicContact CD1-CG 3.4Å; F1202-K1710 HydrophobicContact CD2-CD 3.95Å; F1202-K1710 HydrophobicContact CE1-CD 3.82Å; F1202-K1710 HydrophobicContact CE1-CG 4.04Å; F1202-K1710 HydrophobicContact CE2-CD 4.3Å; F1202-K1710 HydrophobicContact CG-CD 3.46Å; F1202-K1710 VanDerWaalsContact CG-CD 3.46Å; F1202-K1710 HydrophobicContact CG-CG 3.76Å; F1202-K1710 HydrophobicContact CZ-CD 4.23Å; F1202-K1710 VanDerWaalsContact N-CG 3.3Å
1203	G	27.6	Very low	28.8	Very low	52 Å²	52	128 Å²	128	54%	0.536	67%	0.667	S	S	.	*			cis	108.2	117.2	-16.6	0	0	0	0	0	119.2
1204	G	26.1	Very low	28.3	Very low	58 Å²	58	124.8 Å²	124.8	60%	0.598	66%	0.655	S	S	*	*			trans	91.1	141.4	178.5	0	0	0	0	0	112.8
1205	D	26.7	Very low	28.1	Very low	135 Å²	135	121.2 Å²	121.2	72%	0.722	64%	0.644	S	S	*	*			trans	-75.5	-167.1	-161.7	-64.6	-73.6	0	0	0	114.6	L1644	D1205-L1644 HydrophobicContact CB-CD1 4.37Å
1206	Q	30.7	Very low	28.1	Very low	103 Å²	103	115.3 Å²	115.3	48%	0.481	63%	0.629	S	S	.	*			trans	103.9	124.6	154.1	-57.2	176.9	-92.1	0	0	115.3	T1642 Q1643	Q1206-T1642 PolarHBondContact NE2-O 2.89Å; Q1206-Q1643 VanDerWaalsContact C-NE2 3.31Å; Q1206-Q1643 VanDerWaalsContact CA-O 3.3Å; Q1206-Q1643 WeakPolarHBondContact CA-O 3.33Å; Q1206-Q1643 HydrophobicContact CB-CB 4.04Å; Q1206-Q1643 HydrophobicContact CB-CG 3.74Å; Q1206-Q1643 WeakPolarHBondContact CB-O 3.32Å; Q1206-Q1643 WeakPolarHBondContact CG-O 3.33Å; Q1206-Q1643 PolarHBondContact NE2-O 2.91Å; Q1206-Q1643 PolarHBondContact O-NE2 3.16Å
1207	T	29.7	Very low	28	Very low	75 Å²	75	111.7 Å²	111.7	46%	0.46	62%	0.615	S	S	.	*			trans	-123.3	144.9	171.1	-145.3	0	0	0	0	114.4	Q1643 L1644	T1207-Q1643 CarbonylContact O-C 3.12Å; T1207-Q1643 WeakPolarHBondContact O-CA 3.4Å; T1207-Q1643 VanDerWaalsContact O-CG 3.24Å; T1207-Q1643 WeakPolarHBondContact O-CG 3.45Å; T1207-L1644 HydrophobicContact CG2-CD2 4.04Å; T1207-L1644 VanDerWaalsContact O-CA 3.31Å; T1207-L1644 WeakPolarHBondContact O-CA 3.24Å; T1207-L1644 PolarHBondContact O-N 3.47Å
1208	E	26.8	Very low	28	Very low	159 Å²	159	112.5 Å²	112.5	74%	0.743	62%	0.616	S	S	*	*			trans	-154.6	145.3	154.2	-140.9	157.4	-92.5	0	0	109.1	Q1643	E1208-Q1643 HydrophobicContact CB-CB 4.33Å; E1208-Q1643 HydrophobicContact CB-CG 4.16Å
1209	C	26	Very low	28	Very low	117 Å²	117	109.1 Å²	109.1	79%	0.791	61%	0.61	S	S	*	*			trans	-85.9	139.2	-164.2	-62.8	0	0	0	0	114.2
1210	S	26.9	Very low	28.2	Very low	118 Å²	118	108.9 Å²	108.9	83%	0.825	60%	0.6	S	S	*	*			trans	-154.7	89.1	156.5	-66.4	0	0	0	0	111.8
1211	E	26.2	Very low	28.3	Very low	161 Å²	161	112.8 Å²	112.8	75%	0.752	62%	0.62	S	S	*	*				48.3	117	126.7	-64.5	-143.2	123.3	0	0	122.9
1212	F	25.5	Very low	28.5	Very low	168 Å²	168	109.3 Å²	109.3	74%	0.737	62%	0.618	S	S	*	*			trans	62.7	160.5	137.5	-68.4	-70.5	0	0	0	119.7
1213	N	26.9	Very low	28.4	Very low	118 Å²	118	110.5 Å²	110.5	63%	0.631	63%	0.629	S	S	*	*			cis	-146.1	135.2	4.9	-139.5	-19.4	0	0	0	114.8
1214	L	27.6	Very low	28.4	Very low	103 Å²	103	114.2 Å²	114.2	54%	0.539	64%	0.636	S	S	.	*			trans	37.5	144	143	-78.7	176.7	0	0	0	126.2
1215	T	27.8	Very low	28.5	Very low	86 Å²	86	117.3 Å²	117.3	53%	0.528	64%	0.638	S	S	.	*				115.2	143.6	123.8	42.4	0	0	0	0	128.5	P1656 N1657 S1658	T1215-P1656 VanDerWaalsContact CG2-C 3.42Å; T1215-P1656 WeakPolarHBondContact CG2-O 3.23Å; T1215-N1657 WeakPolarHBondContact CB-O 3.34Å; T1215-N1657 WeakPolarHBondContact CG2-O 3.13Å; T1215-N1657 PolarHBondContact OG1-O 3.02Å; T1215-S1658 CarbonylContact C-O 3.6Å
1216	G	29.7	Very low	28.5	Very low	56 Å²	56	117.1 Å²	117.1	58%	0.577	64%	0.637	S	S	*	*			trans	-174.7	113.5	177.1	0	0	0	0	0	120.3	S1658 S1659	G1216-S1658 WeakPolarHBondContact CA-O 3.41Å; G1216-S1658 PolarHBondContact N-O 2.85Å; G1216-S1659 VanDerWaalsContact CA-N 3.34Å
1217	I	30.7	Very low	28.5	Very low	54 Å²	54	118.3 Å²	118.3	28%	0.277	65%	0.651	S	S	.	*			trans	-68.3	171.4	175.4	-50.8	-161	0	0	0	113.5	S1658 S1659 S1660	I1217-S1658 VanDerWaalsContact N-C 3.27Å; I1217-S1659 VanDerWaalsContact N-N 3.18Å; I1217-S1660 VanDerWaalsContact CG2-CB 3.45Å; I1217-S1660 PolarHBondContact O-N 3.2Å
1218	Y	30.6	Very low	28.3	Very low	163 Å²	163	121.6 Å²	121.6	64%	0.639	67%	0.666	S	S	*	*			cis	-165.7	157.3	-12.9	-109.7	-174	0	0	0	106.1
1219	S	30.8	Very low	28.2	Very low	86 Å²	86	123.4 Å²	123.4	60%	0.601	67%	0.667	S	S	*	*				70.3	141.1	73	103	0	0	0	0	117.4
1220	D	31.6	Very low	28.2	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	66%	0.66	S	S	*	*			trans	144.1	117.3	147.8	-76.7	10.8	0	0	0	110.4
1221	I	30.6	Very low	28.2	Very low	146 Å²	146	127.4 Å²	127.4	75%	0.749	66%	0.658	S	S	*	*				119.2	149.2	53.4	-98.8	171	0	0	0	107.1
1222	P	30.9	Very low	28.2	Very low	93 Å²	93	125.3 Å²	125.3	60%	0.604	66%	0.657	S	S	*	*			cis	-150.1	-177.7	-23.9	44.6	-24.9	0	0	0	117.6
1223	I	27.6	Very low	28.1	Very low	144 Å²	144	122.5 Å²	122.5	74%	0.738	66%	0.658	S	S	*	*			trans	75.7	147.2	131.3	-85.7	164.8	0	0	0	125.4
1224	D	27.8	Very low	28.1	Very low	130 Å²	130	122.1 Å²	122.1	70%	0.695	66%	0.66	S	S	*	*			trans	68.5	150.8	156.2	-79.9	6.2	0	0	0	125
1225	I	28.5	Very low	27.9	Very low	123 Å²	123	128.9 Å²	128.9	63%	0.631	68%	0.678	S	S	*	*			cis	-162.7	152	-32.3	-141	175.5	0	0	0	112.5
1226	N	26.1	Very low	27.8	Very low	131 Å²	131	129 Å²	129	70%	0.701	68%	0.683	S	S	*	*			trans	59.3	157.8	155.8	-73	-25.5	0	0	0	125.4
1227	T	30.1	Very low	27.6	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	69%	0.687	S	S	*	*			trans	75	101.2	151.3	33.8	0	0	0	0	121.5
1228	N	24.8	Very low	27.3	Very low	143 Å²	143	139.9 Å²	139.9	77%	0.765	72%	0.717	S	S	*	*			trans	-10.7	146.7	132.5	-53.2	-27.2	0	0	0	116.9
1229	Y	26.3	Very low	27.1	Very low	197 Å²	197	137.2 Å²	137.2	77%	0.773	72%	0.722	S	S	*	*				-175.8	117.9	109	-115.6	-107.8	0	0	0	112.9
1230	H	26.1	Very low	26.8	Very low	140 Å²	140	139.4 Å²	139.4	65%	0.648	73%	0.732	S	S	*	*			trans	59.1	139.8	142	-84.3	-94.2	0	0	0	124.9
1231	K	25.2	Very low	26.6	Very low	180 Å²	180	145.2 Å²	145.2	78%	0.783	75%	0.745	S	S	*	*			trans	74.3	144.2	148.3	-65.6	165.1	-175.6	179.2	0	116.6
1232	T	26.4	Very low	26.3	Very low	117 Å²	117	143.3 Å²	143.3	72%	0.718	75%	0.745	S	S	*	*			cis	-160.3	137.6	3.5	0.9	0	0	0	0	112.9
1233	S	24.3	Very low	25.9	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	75%	0.754	S	S	*	*			trans	64.3	156.9	139.7	78.1	0	0	0	0	119.8
1234	V	26.5	Very low	25.8	Very low	110 Å²	110	144 Å²	144	67%	0.667	76%	0.763	S	S	*	*			cis	-145.1	124.5	5.9	177.9	0	0	0	0	109.5
1235	W	24.2	Very low	25.7	Very low	245 Å²	245	141 Å²	141	93%	0.928	76%	0.762	S	S	*	*			trans	54.3	155.2	152.4	-59.9	15.7	0	0	0	119.4
1236	S	24.9	Very low	25.4	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	77%	0.772	S	S	*	*			cis	-157.3	123.6	-10.9	38.1	0	0	0	0	106.6
1237	S	25	Very low	25.2	Very low	94 Å²	94	143.4 Å²	143.4	66%	0.657	77%	0.774	S	S	*	*				56.5	127.1	69.9	74.2	0	0	0	0	112.9
1238	W	25.8	Very low	24.9	Very low	243 Å²	243	146 Å²	146	92%	0.92	78%	0.777	S	S	*	*			cis	-107	-157.9	25.6	-59.9	72.3	0	0	0	110.9
1239	S	25.8	Very low	24.9	Very low	107 Å²	107	144.5 Å²	144.5	75%	0.748	77%	0.774	S	S	*	*			cis	-148.8	158	4	-63.1	0	0	0	0	110.7
1240	T	24.9	Very low	24.7	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	78%	0.781	S	S	*	*			trans	-155	167.4	169.3	53.8	0	0	0	0	111.2
1241	W	26	Very low	24.6	Very low	248 Å²	248	143.9 Å²	143.9	94%	0.939	79%	0.787	S	S	*	*			trans	166.4	147.5	146.2	-93.4	33.5	0	0	0	106.8
1242	S	25.1	Very low	24.7	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.782	S	S	*	*			cis	-157.8	157.1	-8	56.8	0	0	0	0	109.3
1243	S	22.9	Very low	24.6	Very low	113 Å²	113	142 Å²	142	79%	0.79	78%	0.784	S	S	*	*			trans	-146	127.7	169.4	56.7	0	0	0	0	111.1
1244	C	25.2	Very low	24.7	Very low	137 Å²	137	141.4 Å²	141.4	93%	0.926	77%	0.772	S	S	*	*			trans	161.2	136.9	154.1	-90.9	0	0	0	0	111.6
1245	G	24.4	Very low	24.6	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	77%	0.773	S	S	*	*			trans	104.2	131.2	131.1	0	0	0	0	0	120
1246	L	23.3	Very low	24.6	Very low	159 Å²	159	138.4 Å²	138.4	83%	0.832	76%	0.763	S	S	*	*			trans	73.7	97.5	141	-68.1	139.2	0	0	0	120.1
1247	I	21.8	Very low	24.7	Very low	146 Å²	146	141.5 Å²	141.5	75%	0.749	77%	0.767	S	S	*	*				40	105.9	119.9	-52.5	174.3	0	0	0	116.7
1248	Q	24.5	Very low	24.7	Very low	182 Å²	182	141.5 Å²	141.5	85%	0.85	77%	0.767	S	S	*	*				-155.5	104.1	124.1	-113.4	172	9.6	0	0	113
1249	T	23.7	Very low	24.7	Very low	112 Å²	112	134 Å²	134	69%	0.687	75%	0.752	S	S	*	*			trans	26.3	99.2	138.1	55.2	0	0	0	0	118.8
1250	Q	22.2	Very low	24.8	Very low	196 Å²	196	136.2 Å²	136.2	92%	0.916	75%	0.75	S	S	*	*			trans	-84.9	99.5	138.2	-84.5	-174.4	-26.7	0	0	109.1
1251	T	25.3	Very low	24.9	Very low	128 Å²	128	136.3 Å²	136.3	79%	0.785	75%	0.746	S	S	*	*			trans	-67.4	141.2	134.5	48	0	0	0	0	107.1
1252	S	26.4	Very low	25	Very low	98 Å²	98	128.9 Å²	128.9	69%	0.685	73%	0.731	S	S	*	*			cis	-136.2	156.2	22	58	0	0	0	0	113.3
1253	E	24.9	Very low	25.3	Very low	160 Å²	160	131 Å²	131	75%	0.748	73%	0.734	S	S	*	*				31	135.3	128.6	-58.4	-162.5	-163.6	0	0	120.2
1254	N	26.1	Very low	25.5	Very low	96 Å²	96	133 Å²	133	51%	0.513	74%	0.735	S	S	.	*			cis	-162.7	138.9	5.9	-115.9	-23	0	0	0	111.2
1255	K	24.2	Very low	25.7	Very low	156 Å²	156	131.6 Å²	131.6	68%	0.678	73%	0.725	S	S	*	*			trans	54.3	140.1	130.4	-70.1	172.4	-173.7	163.9	0	121.3
1256	L	25	Very low	26	Very low	137 Å²	137	134.8 Å²	134.8	72%	0.717	73%	0.731	S	S	*	*			trans	74.4	146.7	134.8	-90.9	51.3	0	0	0	116.8
1257	Q	25.1	Very low	26.1	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	73%	0.733	S	S	*	*			cis	-158.6	-177.8	-9.4	-152.2	163.1	-5.4	0	0	108.7
1258	S	25.1	Very low	26.3	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	72%	0.723	S	S	*	*			trans	42.2	135.3	139.4	64.2	0	0	0	0	120.9
1259	S	26.1	Very low	26.4	Very low	85 Å²	85	129.6 Å²	129.6	59%	0.594	72%	0.72	S	S	*	*			cis	179.1	157.1	0.1	45.3	0	0	0	0	109.5
1260	E	27.4	Very low	26.5	Very low	153 Å²	153	130 Å²	130	72%	0.715	72%	0.717	S	S	*	*			trans	59.5	126.5	133.8	-76.1	167.4	-134.2	0	0	121.1
1261	N	28.9	Very low	26.5	Very low	135 Å²	135	127.9 Å²	127.9	72%	0.722	71%	0.712	S	S	*	*			trans	72.1	139.6	131.9	-57	-15.2	0	0	0	118
1262	S	27.8	Very low	26.4	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	71%	0.712	S	S	*	*			cis	-175.7	173.9	-7.9	47.2	0	0	0	0	108.6
1263	L	30.3	Very low	26.4	Very low	151 Å²	151	127.6 Å²	127.6	79%	0.791	72%	0.715	S	S	*	*			trans	70.9	89.2	168.2	-57	154.9	0	0	0	112.8
1264	D	27.4	Very low	26.3	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	72%	0.715	S	S	*	*				73.1	147.1	79.8	-83.6	-22.1	0	0	0	115.1
1265	P	29.8	Very low	26.2	Very low	109 Å²	109	130.8 Å²	130.8	71%	0.708	73%	0.727	S	S	*	*			trans	-124.8	167.6	-142.1	38	-22.1	0	0	0	114.7
1266	T	30.2	Very low	26	Very low	134 Å²	134	133 Å²	133	82%	0.822	73%	0.731	S	S	*	*			trans	-172	132.8	146.1	11.5	0	0	0	0	107.3	P1268	T1266-P1268 WeakPolarHBondContact O-CD 3.49Å
1267	S	26.5	Very low	26	Very low	124 Å²	124	133.6 Å²	133.6	87%	0.867	73%	0.731	S	S	*	*			trans	-67.2	115.2	-158.7	54.3	0	0	0	0	116.5
1268	P	24.8	Very low	26	Very low	84 Å²	84	131.2 Å²	131.2	55%	0.545	73%	0.729	S	S	.	*			trans	-88.3	161.2	135.6	38.8	-34.9	0	0	0	110.4	T1266 L1270	T1266-P1268 WeakPolarHBondContact O-CD 3.49Å; P1268-L1270 HydrophobicContact CB-CD1 4.26Å
1269	H	26.3	Very low	26	Very low	169 Å²	169	134.1 Å²	134.1	78%	0.782	73%	0.733	S	S	*	*				174.2	110.9	126.7	-90.7	-67	0	0	0	106.6
1270	L	26	Very low	26	Very low	120 Å²	120	136.7 Å²	136.7	63%	0.628	74%	0.739	S	S	*	*				63.7	118.9	61.6	-57.7	164.9	0	0	0	111	P1268	P1268-L1270 HydrophobicContact CB-CD1 4.26Å
1271	L	23.3	Very low	26	Very low	153 Å²	153	135.1 Å²	135.1	80%	0.801	73%	0.734	S	S	*	*	S	Bend		55	92.6	65.9	-76.8	82.3	0	0	0	114.4
1272	A	23.2	Very low	25.9	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	73%	0.732	S	S	*	*			trans	60	-174.9	138.5	0	0	0	0	0	119.2
1273	V	25	Very low	26	Very low	124 Å²	124	136.7 Å²	136.7	75%	0.752	73%	0.734	S	S	*	*			trans	70.8	97.3	173.5	-166.2	0	0	0	0	113.7
1274	R	23.2	Very low	26	Very low	197 Å²	197	135.7 Å²	135.7	74%	0.743	73%	0.73	S	S	*	*				64.8	138.1	82.5	-74.9	-176.3	169.8	-179.5	-2.9	115.5
1275	T	23.6	Very low	26.1	Very low	125 Å²	125	134.8 Å²	134.8	77%	0.767	73%	0.725	S	S	*	*			trans	67.8	145.8	164.9	55.5	0	0	0	0	116.9
1276	R	21.7	Very low	26.2	Very low	202 Å²	202	133.8 Å²	133.8	76%	0.762	72%	0.72	S	S	*	*			cis	-167.5	175	-10.8	-120.3	-178.9	-176.3	-167.8	2.8	110.5
1277	E	23.6	Very low	26.1	Very low	151 Å²	151	135.8 Å²	135.8	71%	0.706	72%	0.72	S	S	*	*			trans	70.5	152.2	152.2	-76.6	154.7	-142	0	0	119.2
1278	C	25.4	Very low	26.1	Very low	103 Å²	103	135.7 Å²	135.7	70%	0.696	71%	0.71	S	S	*	*			cis	-169.5	161.5	-33.8	-121.6	0	0	0	0	114
1279	Q	26.3	Very low	26.3	Very low	156 Å²	156	139.8 Å²	139.8	73%	0.729	72%	0.721	S	S	*	*			trans	67.3	158.7	155.2	-68.4	175.4	-3.7	0	0	118.9
1280	L	25.2	Very low	26.3	Very low	139 Å²	139	137.8 Å²	137.8	73%	0.728	72%	0.72	S	S	*	*			cis	-124.3	137.2	3.2	-94.7	102.2	0	0	0	110.1
1281	I	26.3	Very low	26.4	Very low	120 Å²	120	137.7 Å²	137.7	62%	0.615	72%	0.724	S	S	*	*				76.2	137.2	74.6	-69.7	176.2	0	0	0	112.5
1282	N	28	Very low	26.5	Very low	125 Å²	125	137.3 Å²	137.3	67%	0.668	72%	0.724	S	S	*	*			cis	-130.8	153.1	8.9	-107.6	-21.2	0	0	0	109.4
1283	I	29.6	Very low	26.6	Very low	133 Å²	133	140 Å²	140	68%	0.682	73%	0.725	S	S	*	*			cis	83.4	145.2	47.6	-56.9	179	0	0	0	114.7
1284	D	30.6	Very low	26.8	Very low	130 Å²	130	142.6 Å²	142.6	70%	0.695	73%	0.728	S	S	*	*			trans	88.2	138.8	171.2	-66.7	-46.2	0	0	0	120.3
1285	N	29.8	Very low	26.9	Very low	136 Å²	136	143.2 Å²	143.2	73%	0.727	73%	0.73	S	S	*	*			cis	-165.8	178.4	-31.8	-137.6	-43.2	0	0	0	113.1
1286	S	31.5	Very low	27	Very low	88 Å²	88	143.4 Å²	143.4	62%	0.615	73%	0.732	S	S	*	*			trans	70.3	120.7	154.7	56.9	0	0	0	0	123.5
1287	E	28.6	Very low	27.1	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.822	73%	0.734	S	S	*	*			trans	69.5	146.2	131.3	-61.5	-171.6	-166.5	0	0	121.2
1288	L	25.8	Very low	27.3	Very low	123 Å²	123	136.2 Å²	136.2	64%	0.644	72%	0.722	S	S	*	*			cis	-156.8	152.1	-2	-149.3	64.7	0	0	0	113.7
1289	H	28.6	Very low	27.5	Very low	169 Å²	169	134.6 Å²	134.6	78%	0.782	71%	0.712	S	S	*	*			trans	70.3	150.5	151.5	-79.4	-36.1	0	0	0	125.8
1290	V	27.3	Very low	27.4	Very low	127 Å²	127	130.9 Å²	130.9	77%	0.77	72%	0.715	S	S	*	*			trans	89.5	87.3	162.4	-161.4	0	0	0	0	119.9
1291	V	27.8	Very low	27.5	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.715	72%	0.718	S	S	*	*	S	Bend	trans	77.4	112.5	139	179.3	0	0	0	0	120.1
1292	D	26.1	Very low	27.6	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	73%	0.731	S	S	*	*			trans	61.8	61.4	146.8	-57.9	2.4	0	0	0	119.5
1293	N	24.9	Very low	27.5	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	73%	0.729	S	S	*	*			trans	-134.9	111.4	146.2	-115.2	-37.4	0	0	0	110.6
1294	H	29.5	Very low	27.3	Very low	178 Å²	178	136.7 Å²	136.7	82%	0.824	74%	0.735	S	S	*	*			trans	-94.5	100.1	160.6	-81.9	-81.7	0	0	0	107.4
1295	R	25.5	Very low	27	Very low	210 Å²	210	138 Å²	138	79%	0.792	74%	0.739	S	S	*	*				59.7	84.3	86.8	-70	-172	172.2	-166.1	-3.2	112.3
1296	T	24.4	Very low	26.8	Very low	129 Å²	129	140.3 Å²	140.3	79%	0.791	74%	0.743	S	S	*	*				86.6	106.3	73.7	57.3	0	0	0	0	114.5
1297	V	23.5	Very low	26.6	Very low	134 Å²	134	142.5 Å²	142.5	81%	0.812	75%	0.752	S	S	*	*			trans	-140.2	134.4	149.8	-177	0	0	0	0	108.2
1298	C	27.7	Very low	26.3	Very low	68 Å²	68	138.6 Å²	138.6	46%	0.459	74%	0.743	S	S	.	*			trans	-41.8	123.6	-174.8	-47.8	0	0	0	0	114.4
1299	S	29.6	Very low	26.4	Very low	69 Å²	69	138.1 Å²	138.1	48%	0.483	75%	0.748	S	S	.	*				71.9	130.9	63.2	77.8	0	0	0	0	113.9	S1613	S1299-S1613 PolarHBondContact OG-O 3.28Å
1300	G	24.8	Very low	26.3	Very low	77 Å²	77	136 Å²	136	79%	0.794	74%	0.742	S	S	*	*			cis	-82.5	174.4	3.8	0	0	0	0	0	116.9
1301	S	28.4	Very low	26.3	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	75%	0.747	S	S	*	*			trans	-145.4	140	-165.3	49.3	0	0	0	0	110.4
1302	W	26.8	Very low	26.4	Very low	237 Å²	237	136.4 Å²	136.4	90%	0.898	74%	0.743	S	S	*	*				93.7	166.3	62.9	-138.9	74	0	0	0	113.2
1303	N	26.2	Very low	26.5	Very low	116 Å²	116	137 Å²	137	62%	0.62	75%	0.745	S	S	*	*			trans	-77.9	156.1	-157.6	-62.1	-65.9	0	0	0	117
1304	Q	25.8	Very low	26.5	Very low	175 Å²	175	135.6 Å²	135.6	82%	0.818	74%	0.738	S	S	*	*			trans	72.2	162.8	151.7	-74.3	-176.9	5.3	0	0	121.1
1305	M	24.2	Very low	26.6	Very low	156 Å²	156	134 Å²	134	77%	0.768	73%	0.734	S	S	*	*			trans	87	95.7	156	-64	-154.5	179.6	0	0	122
1306	K	26.7	Very low	26.8	Very low	186 Å²	186	128.7 Å²	128.7	81%	0.809	74%	0.735	S	S	*	*				64.1	155.1	110.6	-84.5	-171.4	172.1	-176.8	0	122.5
1307	T	25.9	Very low	27	Very low	133 Å²	133	125.8 Å²	125.8	82%	0.816	73%	0.731	S	S	*	*			trans	80.7	150.7	169.4	76.7	0	0	0	0	114.8
1308	C	23.9	Very low	27.3	Very low	94 Å²	94	125.8 Å²	125.8	64%	0.635	73%	0.731	S	S	*	*			cis	-141.7	167.4	7.1	-139	0	0	0	0	110.1	N1310	C1308-N1310 PolarHBondContact SG-N 3.32Å; C1308-N1310 VanDerWaalsContact SG-N 3.42Å
1309	P	27.4	Very low	27.3	Very low	114 Å²	114	132 Å²	132	74%	0.74	75%	0.751	S	S	*	*				-144.6	131.5	68	35.5	-15.4	0	0	0	117.7
1310	N	26.3	Very low	27.2	Very low	123 Å²	123	132.1 Å²	132.1	66%	0.658	76%	0.762	S	S	*	*				61.4	141.3	129.1	-65.4	-23	0	0	0	124.5	C1308	C1308-N1310 PolarHBondContact SG-N 3.32Å; C1308-N1310 VanDerWaalsContact SG-N 3.42Å
1311	M	27.2	Very low	27.4	Very low	179 Å²	179	137 Å²	137	88%	0.882	76%	0.764	S	S	*	*			trans	74.1	138.7	156	-71.2	-179.9	-102.8	0	0	118.7
1312	A	29.2	Very low	27.5	Very low	76 Å²	76	138.2 Å²	138.2	63%	0.628	76%	0.759	S	S	*	*			cis	-167.8	154.4	-11.4	0	0	0	0	0	112.5
1313	L	28.2	Very low	27.7	Very low	157 Å²	157	132.5 Å²	132.5	82%	0.822	75%	0.746	S	S	*	*			trans	58.4	150.9	148.5	-92.9	78.6	0	0	0	119.8
1314	N	26.1	Very low	27.9	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	75%	0.749	S	S	*	*			cis	-165.4	169.7	-15.8	-145.3	-9.3	0	0	0	111.7
1315	I	30.9	Very low	28.1	Very low	144 Å²	144	133.8 Å²	133.8	74%	0.738	74%	0.738	S	S	*	*			trans	73.8	121.4	153.3	-64.6	157.4	0	0	0	120.8
1316	A	28.8	Very low	28.6	Very low	100 Å²	100	136.1 Å²	136.1	83%	0.826	74%	0.738	S	S	*	*			trans	23.4	154.5	145.3	0	0	0	0	0	123.7
1317	G	30.2	Very low	29	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	73%	0.733	S	S	*	*			cis	152.4	-172.2	-2.1	0	0	0	0	0	113.4
1318	V	29.6	Very low	29.3	Very low	134 Å²	134	136.7 Å²	136.7	81%	0.812	74%	0.735	S	S	*	*			trans	78.4	130.9	163.4	172.7	0	0	0	0	119.8
1319	F	27.3	Very low	29.9	Very low	200 Å²	200	139 Å²	139	88%	0.877	74%	0.741	S	S	*	*			trans	-1.3	148.8	153	-56.8	-114.2	0	0	0	119.8
1320	G	28.2	Very low	30.2	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	74%	0.738	S	S	*	*			cis	155	-173.6	-0	0	0	0	0	0	113.6
1321	H	27.9	Very low	30.5	Very low	180 Å²	180	142.7 Å²	142.7	83%	0.833	74%	0.74	S	S	*	*			trans	83.3	128.7	157.8	-118.6	-9	0	0	0	123.6
1322	M	30.6	Very low	31	Very low	138 Å²	138	139.4 Å²	139.4	68%	0.68	73%	0.73	S	S	*	*			trans	93.6	108.7	140.2	-66.7	-144.6	-82.5	0	0	125.4
1323	N	30.6	Very low	31.5	Very low	117 Å²	117	141.6 Å²	141.6	63%	0.626	74%	0.735	S	S	*	*				70.5	149.6	123.8	-67.5	-35	0	0	0	121.8
1324	R	30.4	Very low	32	Very low	181 Å²	181	139.7 Å²	139.7	68%	0.683	73%	0.725	S	S	*	*			cis	-170.7	149.1	-7.2	-117	167.9	173.5	-170.7	-0.1	114.1
1325	K	31.7	Very low	32.9	Very low	137 Å²	137	141.1 Å²	141.1	60%	0.596	73%	0.728	S	S	*	*			trans	69.2	158.4	147.4	-71.1	168.9	-177.4	178.2	0	118.1
1326	R	34.4	Very low	33.7	Very low	204 Å²	204	141.4 Å²	141.4	77%	0.77	73%	0.729	S	S	*	*			cis	-156.1	120.1	3.6	-126.4	163.4	178.7	172.9	-3.8	110
1327	I	34.6	Very low	34.6	Very low	136 Å²	136	141 Å²	141	70%	0.697	71%	0.712	S	S	*	*				63.9	113.6	96.6	-57	169.7	0	0	0	118.8
1328	K	32.6	Very low	35.7	Very low	195 Å²	195	142.7 Å²	142.7	85%	0.848	71%	0.705	S	S	*	*				-178.1	112.9	126.2	-97.5	173.3	-177.5	-179.1	0	108.2
1329	N	36.2	Very low	36.8	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	70%	0.698	S	S	*	*				53.7	130.9	86.7	-70.4	-5.3	0	0	0	113.7
1330	K	34	Very low	37.9	Very low	160 Å²	160	134.9 Å²	134.9	70%	0.696	68%	0.676	S	S	*	*			cis	-155.2	-178.4	10.3	-132.2	-171.1	173	-164.4	0	107.8
1331	F	31.7	Very low	39.2	Very low	156 Å²	156	136.4 Å²	136.4	68%	0.684	67%	0.667	S	S	*	*			cis	-153.7	-156.4	10.7	-153.1	-11.5	0	0	0	110.3
1332	T	37.6	Very low	40.5	Very low	109 Å²	109	134.3 Å²	134.3	67%	0.669	66%	0.661	S	S	*	*			trans	-146.7	118.2	-170.5	49.1	0	0	0	0	113.6
1333	T	39.8	Very low	41.6	Very low	122 Å²	122	131.4 Å²	131.4	75%	0.748	65%	0.654	S	S	*	*			trans	-150.4	27	-179.1	-21.3	0	0	0	0	116.9
1334	L	38.4	Very low	42.7	Very low	117 Å²	117	132.6 Å²	132.6	61%	0.613	65%	0.654	S	S	*	*	S	Bend	trans	-127.5	-25.4	177	-142.2	82.5	0	0	0	116.5	I1336 I1337 L1338	L1334-I1336 PolarHBondContact O-N 3.02Å; L1334-I1336 VanDerWaalsContact O-N 3.13Å; L1334-I1337 HydrophobicContact CD1-CD1 3.92Å; L1334-I1337 PolarHBondContact O-N 3.04Å; L1334-L1338 PolarHBondContact O-N 3.34Å
1335	H	45.1	Very low	43.9	Very low	155 Å²	155	128.8 Å²	128.8	72%	0.718	65%	0.651	S	S	*	*	H	α-helix	trans	-65.4	-16.6	179.8	-74.2	-65.2	0	0	0	114.6
1336	I	47.2	Very low	44.7	Very low	150 Å²	150	125.1 Å²	125.1	77%	0.769	65%	0.646	S	S	*	*	H	α-helix	trans	-77.9	-33.5	171.8	-61.8	175.3	0	0	0	111.1	L1334 I1339 G1340	L1334-I1336 PolarHBondContact O-N 3.02Å; L1334-I1336 VanDerWaalsContact O-N 3.13Å; I1336-I1339 PolarHBondContact O-N 3.43Å; I1336-G1340 PolarHBondContact O-N 2.81Å
1337	I	48.3	Very low	45.4	Very low	92 Å²	92	117.7 Å²	117.7	47%	0.472	63%	0.633	S	S	.	*	H	α-helix	trans	-70.4	-35	178.3	-69.5	162.1	0	0	0	111	L1334 I1339 G1340 L1341	L1334-I1337 HydrophobicContact CD1-CD1 3.92Å; L1334-I1337 PolarHBondContact O-N 3.04Å; I1337-I1339 PolarHBondContact O-N 2.84Å; I1337-G1340 PolarHBondContact O-N 3.33Å; I1337-L1341 HydrophobicContact CG2-CD1 3.9Å; I1337-L1341 PolarHBondContact O-N 2.96Å; I1337-L1341 VanDerWaalsContact O-N 3.1Å
1338	L	53.2	Low	46.3	Very low	102 Å²	102	117 Å²	117	53%	0.534	63%	0.63	S	S	.	*	H	α-helix	trans	-61.4	-29.9	174.8	-120.8	74.5	0	0	0	113.3	L1334	L1334-L1338 PolarHBondContact O-N 3.34Å
1339	I	52	Low	47	Very low	129 Å²	129	115.2 Å²	115.2	66%	0.662	63%	0.629	S	S	*	*	H	α-helix	trans	-83.7	-30	179.4	-63.5	172.6	0	0	0	111.2	I1336 I1337	I1336-I1339 PolarHBondContact O-N 3.43Å; I1337-I1339 PolarHBondContact O-N 2.84Å
1340	G	50.6	Low	47.2	Very low	40 Å²	40	114.4 Å²	114.4	41%	0.412	63%	0.629	S	S	.	*	H	α-helix	trans	-74.5	-33.5	174.9	0	0	0	0	0	114.6	I1336 I1337 S1343 F1344	I1336-G1340 PolarHBondContact O-N 2.81Å; I1337-G1340 PolarHBondContact O-N 3.33Å; G1340-S1343 PolarHBondContact O-OG 3.25Å; G1340-S1343 VanDerWaalsContact O-OG 3.08Å; G1340-F1344 PolarHBondContact O-N 2.82Å
1341	L	56.1	Low	47.4	Very low	102 Å²	102	111.2 Å²	111.2	53%	0.534	63%	0.632	S	S	.	*	H	α-helix	trans	-73.9	-33.1	179.9	-80.7	164.6	0	0	0	113.2	I1337 S1343 V1345	I1337-L1341 HydrophobicContact CG2-CD1 3.9Å; I1337-L1341 PolarHBondContact O-N 2.96Å; I1337-L1341 VanDerWaalsContact O-N 3.1Å; L1341-S1343 VanDerWaalsContact C-N 3.35Å; L1341-V1345 PolarHBondContact O-N 3.37Å
1342	L	55	Low	47.8	Very low	136 Å²	136	107.7 Å²	107.7	71%	0.712	64%	0.64	S	S	*	*	H	α-helix	trans	-72.4	-24.7	179	-72.9	170.7	0	0	0	113.5
1343	S	54.1	Low	47.8	Very low	77 Å²	77	109.7 Å²	109.7	54%	0.538	65%	0.651	S	S	.	*	H	α-helix	trans	-83.9	-34	173.4	57.5	0	0	0	0	113	G1340 L1341 A1346 G1347	G1340-S1343 PolarHBondContact O-OG 3.25Å; G1340-S1343 VanDerWaalsContact O-OG 3.08Å; L1341-S1343 VanDerWaalsContact C-N 3.35Å; S1343-A1346 PolarHBondContact O-N 3.05Å; S1343-G1347 PolarHBondContact O-N 3.06Å
1344	F	54.2	Low	47.3	Very low	142 Å²	142	106.6 Å²	106.6	62%	0.623	64%	0.643	S	S	*	*	H	α-helix	trans	-66.1	-41.4	179.2	-168.3	-105.3	0	0	0	112.8	G1340 A1346 G1347 I1348	G1340-F1344 PolarHBondContact O-N 2.82Å; F1344-A1346 VanDerWaalsContact C-N 3.34Å; F1344-A1346 PolarHBondContact O-N 2.83Å; F1344-G1347 PolarHBondContact O-N 3.12Å; F1344-I1348 HydrophobicContact CD1-CD1 4.26Å; F1344-I1348 HydrophobicContact CE1-CD1 3.88Å; F1344-I1348 HydrophobicContact CZ-CD1 4.34Å
1345	V	54.3	Low	47.2	Very low	101 Å²	101	108.9 Å²	108.9	61%	0.612	65%	0.654	S	S	*	*	H	α-helix	trans	-69.9	-30.8	178	178.9	0	0	0	0	111.9	L1341 G1347	L1341-V1345 PolarHBondContact O-N 3.37Å; V1345-G1347 VanDerWaalsContact C-N 3.35Å
1346	A	50.1	Low	46.6	Very low	61 Å²	61	107.8 Å²	107.8	50%	0.504	65%	0.653	S	S	.	*	H	α-helix	trans	-69.4	-29.6	173.5	0	0	0	0	0	113.1	S1343 F1344 I1348	S1343-A1346 PolarHBondContact O-N 3.05Å; F1344-A1346 VanDerWaalsContact C-N 3.34Å; F1344-A1346 PolarHBondContact O-N 2.83Å; A1346-I1348 PolarHBondContact O-N 3.03Å
1347	G	48.5	Very low	45.8	Very low	48 Å²	48	107.3 Å²	107.3	50%	0.495	65%	0.65	S	S	.	*	H	α-helix	trans	-71.2	-25.7	-179.6	0	0	0	0	0	115	S1343 F1344 V1345 L1349	S1343-G1347 PolarHBondContact O-N 3.06Å; F1344-G1347 PolarHBondContact O-N 3.12Å; V1345-G1347 VanDerWaalsContact C-N 3.35Å; G1347-L1349 VanDerWaalsContact C-N 3.3Å; G1347-L1349 PolarHBondContact O-N 2.67Å
1348	I	53	Low	44.8	Very low	122 Å²	122	112.4 Å²	112.4	63%	0.626	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-10.9	-174.5	-66.6	173.3	0	0	0	112.5	F1344 A1346	F1344-I1348 HydrophobicContact CD1-CD1 4.26Å; F1344-I1348 HydrophobicContact CE1-CD1 3.88Å; F1344-I1348 HydrophobicContact CZ-CD1 4.34Å; A1346-I1348 PolarHBondContact O-N 3.03Å
1349	L	46.9	Very low	43.7	Very low	157 Å²	157	114 Å²	114	82%	0.822	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-1.2	179	-83	166.9	0	0	0	115.3	G1347	G1347-L1349 VanDerWaalsContact C-N 3.3Å; G1347-L1349 PolarHBondContact O-N 2.67Å
1350	V	41.2	Very low	42.5	Very low	125 Å²	125	116.5 Å²	116.5	76%	0.758	67%	0.671	S	S	*	*	S	Bend	trans	-127.8	5.5	-166.2	-162.6	0	0	0	0	114.4
1351	A	37.8	Very low	41.5	Very low	93 Å²	93	121.2 Å²	121.2	77%	0.769	68%	0.682	S	S	*	*	S	Bend	trans	-130.5	98.7	-178.8	0	0	0	0	0	112.8
1352	G	40.6	Very low	40.1	Very low	82 Å²	82	121.5 Å²	121.5	85%	0.845	69%	0.691	S	S	*	*			trans	164.3	15.9	176.7	0	0	0	0	0	117.9
1353	V	37.3	Very low	38.9	Very low	151 Å²	151	122.2 Å²	122.2	92%	0.915	69%	0.69	S	S	*	*			trans	-82.2	126.1	-177.9	177.3	0	0	0	0	111.6
1354	G	29.4	Very low	37.6	Very low	56 Å²	56	125 Å²	125	58%	0.577	69%	0.693	S	S	*	*			trans	101.5	77.3	144.4	0	0	0	0	0	119.8
1355	I	37.1	Very low	36.3	Very low	165 Å²	165	127.4 Å²	127.4	85%	0.846	70%	0.698	S	S	*	*			trans	-138.2	113.9	145.8	-58	-177.4	0	0	0	104.9
1356	I	32.6	Very low	35	Very low	133 Å²	133	129.4 Å²	129.4	68%	0.682	70%	0.7	S	S	*	*			cis	131.5	106.2	21	-86.5	162.3	0	0	0	106.2
1357	I	30.1	Very low	34.2	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	72%	0.719	S	S	*	*			trans	29.4	121.1	140.8	-30.5	172.2	0	0	0	119.1
1358	Y	26.9	Very low	33.2	Very low	199 Å²	199	137.9 Å²	137.9	78%	0.78	73%	0.725	S	S	*	*				-176.7	168	115.3	-117.9	-101.7	0	0	0	116.7
1359	H	29.9	Very low	32.1	Very low	135 Å²	135	143.3 Å²	143.3	63%	0.625	74%	0.737	S	S	*	*			trans	-27.9	160.3	177.9	-82.8	-148.1	0	0	0	121
1360	R	27.1	Very low	31.1	Very low	182 Å²	182	142 Å²	142	69%	0.687	73%	0.731	S	S	*	*			cis	112	119.6	15.9	-177.7	-173.4	173.4	177	-0.2	114.3
1361	E	29.9	Very low	30.8	Very low	138 Å²	138	144.3 Å²	144.3	65%	0.645	74%	0.737	S	S	*	*			trans	73.5	136	158.7	-78.5	-178.4	-118.5	0	0	124.3
1362	C	27	Very low	30.2	Very low	108 Å²	108	147.4 Å²	147.4	73%	0.73	74%	0.741	S	S	*	*			trans	38.4	124.9	141.3	-67.3	0	0	0	0	124
1363	H	28.1	Very low	29.7	Very low	151 Å²	151	147.1 Å²	147.1	70%	0.699	74%	0.738	S	S	*	*				-172.6	147.5	105.1	-121.8	-166.9	0	0	0	117
1364	K	26.7	Very low	29.5	Very low	136 Å²	136	148 Å²	148	59%	0.591	74%	0.737	S	S	*	*			trans	12.9	153.4	130.4	-62.2	177.1	-168.4	147	0	120
1365	R	26.8	Very low	29.5	Very low	192 Å²	192	149.9 Å²	149.9	73%	0.725	74%	0.742	S	S	*	*			cis	-175.8	163.2	-1.5	-112.1	170.4	-179.2	-177.7	-2.3	112
1366	H	28.7	Very low	29.1	Very low	143 Å²	143	151 Å²	151	66%	0.662	74%	0.741	S	S	*	*			trans	52.4	131.5	149.2	-64.1	-55.8	0	0	0	123.9
1367	L	33.2	Very low	28.9	Very low	172 Å²	172	150.9 Å²	150.9	90%	0.901	74%	0.742	S	S	*	*				180	117.9	122.6	-97	157.6	0	0	0	107.7
1368	N	26.8	Very low	28.8	Very low	116 Å²	116	150.7 Å²	150.7	62%	0.62	74%	0.742	S	S	*	*			cis	105.9	94.2	11.8	-161.1	35.6	0	0	0	115.6
1369	R	30.1	Very low	28.9	Very low	235 Å²	235	148.7 Å²	148.7	89%	0.887	75%	0.745	S	S	*	*			trans	175.1	110.3	154.7	-96.2	155.9	-172.4	-167.5	2	107.6
1370	N	26.4	Very low	28.7	Very low	130 Å²	130	150.2 Å²	150.2	70%	0.695	76%	0.756	S	S	*	*				66	113.3	71.7	-72.8	6.7	0	0	0	115.4
1371	I	33.6	Very low	28.8	Very low	173 Å²	173	147 Å²	147	89%	0.887	76%	0.761	S	S	*	*				-162.6	152.4	121.5	-94.5	152.3	0	0	0	108.1
1372	N	26.2	Very low	28.8	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	77%	0.773	S	S	*	*			trans	-96.1	157.3	-163.3	-57.9	-36	0	0	0	114.4
1373	G	30	Very low	28.9	Very low	75 Å²	75	152.9 Å²	152.9	77%	0.773	78%	0.779	S	S	*	*			trans	-177.9	119.5	164.8	0	0	0	0	0	113.8
1374	N	32.2	Very low	28.9	Very low	169 Å²	169	157 Å²	157	90%	0.904	79%	0.788	S	S	*	*			trans	-82.8	166.9	170.8	-57.8	-46.7	0	0	0	109.7
1375	S	29.8	Very low	28.8	Very low	96 Å²	96	154.9 Å²	154.9	67%	0.671	79%	0.791	S	S	*	*			cis	-161.2	155.7	17.5	71.2	0	0	0	0	114.6
1376	K	29.2	Very low	28.7	Very low	189 Å²	189	153.4 Å²	153.4	82%	0.822	79%	0.792	S	S	*	*			trans	73.2	142.7	142.8	-80	-178.2	178.2	-177.3	0	122.5
1377	N	29.2	Very low	28.4	Very low	131 Å²	131	153.6 Å²	153.6	70%	0.701	80%	0.797	S	S	*	*			trans	85.7	79.8	152.7	-66.3	13.7	0	0	0	121.3
1378	N	27.7	Very low	28.2	Very low	135 Å²	135	151.4 Å²	151.4	72%	0.722	79%	0.791	S	S	*	*				81.4	107.9	122.5	-60.1	2.6	0	0	0	121.7
1379	N	28.9	Very low	28.5	Very low	157 Å²	157	150.7 Å²	150.7	84%	0.84	79%	0.793	S	S	*	*			trans	74.8	69.8	137.7	-60.3	6.5	0	0	0	119.1
1380	I	26.1	Very low	28.3	Very low	167 Å²	167	148 Å²	148	86%	0.856	79%	0.79	S	S	*	*			trans	-121.9	138.6	155.2	-66.2	171.5	0	0	0	109
1381	S	27.4	Very low	28.3	Very low	114 Å²	114	148.7 Å²	148.7	80%	0.797	79%	0.794	S	S	*	*			trans	157.3	142.4	142.8	51.4	0	0	0	0	110.3
1382	K	30.6	Very low	28	Very low	207 Å²	207	146.6 Å²	146.6	90%	0.9	78%	0.784	S	S	*	*			cis	-126.7	149.9	29.4	-75.1	175	170.1	175.3	0	114.7
1383	L	30.1	Very low	28	Very low	163 Å²	163	144.9 Å²	144.9	85%	0.853	77%	0.774	S	S	*	*			trans	-161.6	155	170.9	-128	173.2	0	0	0	109.2
1384	R	26.5	Very low	27.7	Very low	237 Å²	237	146.5 Å²	146.5	89%	0.894	77%	0.765	S	S	*	*			trans	71.1	159	179	-59.1	-177.8	173.5	-178.3	-2.5	115.5
1385	S	25.1	Very low	27.5	Very low	92 Å²	92	142.6 Å²	142.6	64%	0.643	74%	0.744	S	S	*	*			cis	-121.3	-149	8.4	44.5	0	0	0	0	111.8
1386	E	24.6	Very low	27.3	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	73%	0.725	S	S	*	*			cis	-159.8	122.2	4.6	-145.6	130.8	-94.2	0	0	108.2
1387	L	22.9	Very low	27.5	Very low	147 Å²	147	134.3 Å²	134.3	77%	0.77	70%	0.699	S	S	*	*				65.3	102.1	93.5	-67.7	168.9	0	0	0	119.1
1388	V	29.7	Very low	28	Very low	126 Å²	126	130.5 Å²	130.5	76%	0.764	68%	0.681	S	S	*	*				45.6	140.5	114.1	173.7	0	0	0	0	119.2
1389	P	32.5	Very low	28.1	Very low	102 Å²	102	127.7 Å²	127.7	66%	0.662	67%	0.666	S	S	*	*			cis	-138.2	164.7	25	25.7	0.1	0	0	0	120.2
1390	E	26.2	Very low	28.2	Very low	177 Å²	177	127.1 Å²	127.1	83%	0.827	66%	0.658	S	S	*	*			trans	52.3	164.3	131.2	-57.4	177.9	131	0	0	126.5
1391	D	26	Very low	28.4	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	65%	0.651	S	S	*	*			trans	83.9	118	161.6	-60.8	-15.4	0	0	0	125.5
1392	D	26.9	Very low	28.2	Very low	129 Å²	129	125.4 Å²	125.4	69%	0.69	64%	0.641	S	S	*	*			trans	84.7	90.5	134	-80.7	18.1	0	0	0	126.3
1393	I	25.6	Very low	28	Very low	123 Å²	123	124.6 Å²	124.6	63%	0.631	64%	0.638	S	S	*	*				81.9	102.9	104.4	-79.6	179.7	0	0	0	120.2
1394	N	25.8	Very low	27.8	Very low	110 Å²	110	122.2 Å²	122.2	59%	0.588	64%	0.635	S	S	*	*				80.4	131.1	128.9	-69.1	-3.3	0	0	0	123.7
1395	N	26.7	Very low	28.2	Very low	87 Å²	87	116.3 Å²	116.3	47%	0.465	63%	0.627	S	S	.	*			trans	74.9	144.9	136.7	-63.2	-6.1	0	0	0	120.1	Q667	Q667-N1395 PolarHBondContact OE1-OD1 2.82Å
1396	L	26.1	Very low	28.3	Very low	53 Å²	53	117.9 Å²	117.9	28%	0.277	64%	0.635	S	S	.	*			cis	-174	171.8	-5.6	-103	169.9	0	0	0	109.5	Q664 K665 N666 Q667	Q664-L1396 CarbonylContact C-O 3.51Å; Q664-L1396 WeakPolarHBondContact O-CB 3.47Å; K665-L1396 VanDerWaalsContact C-CB 3.41Å; K665-L1396 VanDerWaalsContact CA-CB 3.47Å; N666-L1396 VanDerWaalsContact C-CD2 3.47Å; Q667-L1396 HydrophobicContact CB-CD2 3.51Å; Q667-L1396 HydrophobicContact CG-CD2 3.88Å
1397	H	33.1	Very low	28.4	Very low	57 Å²	57	116.2 Å²	116.2	26%	0.264	64%	0.638	S	S	.	*			trans	-123.7	-65.6	169	46.5	106.7	0	0	0	122.1	Q664 K665 N666 L670	Q664-H1397 CarbonylContact C-O 3.54Å; Q664-H1397 WeakPolarHBondContact CB-O 3.46Å; K665-H1397 PolarHBondContact N-O 3.47Å; N666-H1397 VanDerWaalsContact C-N 3.31Å; N666-H1397 VanDerWaalsContact CB-C 3.47Å; N666-H1397 VanDerWaalsContact N-CA 3.31Å; N666-H1397 PolarHBondContact N-O 3.28Å; N666-H1397 CarbonylContact O-C 3.58Å; N666-H1397 VanDerWaalsContact O-CA 3.23Å; N666-H1397 WeakPolarHBondContact O-CA 3.42Å; N666-H1397 PolarHBondContact O-CD2 3.04Å; N666-H1397 PolarHBondContact O-CE1 2.84Å; N666-H1397 VanDerWaalsContact O-CE1 3.26Å; N666-H1397 PolarHBondContact O-N 3.21Å; N666-H1397 PolarHBondContact O-ND1 3.5Å; N666-H1397 VanDerWaalsContact O-ND1 3.11Å; N666-H1397 PolarHBondContact O-NE2 3.36Å; N666-H1397 VanDerWaalsContact OD1-C 3.22Å; N666-H1397 PolarHBondContact OD1-O 2.84Å; L670-H1397 VanDerWaalsContact CD1-CE1 3.46Å; L670-H1397 WeakPolarHBondContact CD1-CE1 3.42Å
1398	P	38.8	Very low	28.8	Very low	51 Å²	51	117.5 Å²	117.5	33%	0.331	64%	0.641	S	S	.	*				-41.7	-118.8	-62.2	1.1	0.8	0	0	0	119.3	N666	N666-P1398 HydrophobicContact CB-CB 2.31Å; N666-P1398 HydrophobicContact CB-CG 2.3Å; N666-P1398 WeakPolarHBondContact ND2-CB 3.3Å; N666-P1398 WeakPolarHBondContact ND2-CD 3.41Å; N666-P1398 WeakPolarHBondContact ND2-CG 3.41Å; N666-P1398 WeakPolarHBondContact O-CA 3.21Å; N666-P1398 WeakPolarHBondContact OD1-CA 3.25Å; N666-P1398 VanDerWaalsContact OD1-CB 3.22Å; N666-P1398 WeakPolarHBondContact OD1-CB 3.31Å; N666-P1398 WeakPolarHBondContact OD1-CD 3.45Å; N666-P1398 PolarHBondContact OD1-O 3.05Å
1399	N	31.6	Very low	28.7	Very low	77 Å²	77	117.6 Å²	117.6	41%	0.412	64%	0.644	S	S	.	*			cis	-163.6	-176.6	-27.3	-143.2	-1.7	0	0	0	114.6	N666	N666-N1399 WeakPolarHBondContact ND2-CB 3.42Å; N666-N1399 WeakPolarHBondContact OD1-CB 3.48Å; N666-N1399 PolarHBondContact OD1-N 2.87Å
1400	H	30.7	Very low	28.3	Very low	144 Å²	144	119.6 Å²	119.6	67%	0.667	65%	0.647	S	S	*	*			trans	61	126	148.3	-67.8	-52.1	0	0	0	120
1401	L	28.7	Very low	28.3	Very low	135 Å²	135	117.7 Å²	117.7	71%	0.707	64%	0.642	S	S	*	*			cis	-153	142.5	1.7	-95.2	161.3	0	0	0	113.2
1402	N	24.8	Very low	28.1	Very low	110 Å²	110	116.7 Å²	116.7	59%	0.588	64%	0.641	S	S	*	*			trans	12.5	141.1	152.3	-47.1	1.2	0	0	0	124.3
1403	F	26.1	Very low	28.3	Very low	191 Å²	191	118.2 Å²	118.2	84%	0.838	65%	0.648	S	S	*	*				168.1	131.6	92.6	-93.7	-64.2	0	0	0	118.2
1404	S	25.4	Very low	28.4	Very low	112 Å²	112	118 Å²	118	78%	0.783	66%	0.655	S	S	*	*			trans	53.4	139.4	144.4	-135.3	0	0	0	0	127
1405	P	34.4	Very low	28.3	Very low	113 Å²	113	119.9 Å²	119.9	73%	0.734	66%	0.664	S	S	*	*			trans	-123.2	172.5	166.9	43.1	-32.3	0	0	0	116
1406	P	28.4	Very low	28.4	Very low	126 Å²	126	121.6 Å²	121.6	82%	0.818	68%	0.679	S	S	*	*			trans	-137.4	-157	156.1	47.6	-31.8	0	0	0	113.1
1407	P	26.3	Very low	28.5	Very low	125 Å²	125	126.7 Å²	126.7	81%	0.812	71%	0.707	S	S	*	*				-128.1	178.2	-119.1	33.9	-9.6	0	0	0	118.6
1408	Q	31.6	Very low	28.2	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	73%	0.733	S	S	*	*			trans	-87.3	166.1	165.9	-66	-176.9	-22.4	0	0	112.1
1409	P	27	Very low	27.5	Very low	128 Å²	128	135.1 Å²	135.1	83%	0.831	75%	0.754	S	S	*	*				-148.8	170.2	103.2	39.9	-24.5	0	0	0	116.9
1410	I	24.7	Very low	27.2	Very low	144 Å²	144	137.3 Å²	137.3	74%	0.738	77%	0.77	S	S	*	*			trans	-93.2	147.1	169.6	-62.4	157.2	0	0	0	109.4
1411	L	25.1	Very low	27	Very low	137 Å²	137	135.9 Å²	135.9	72%	0.717	78%	0.776	S	S	*	*			trans	-159.7	165.1	156.6	-112.8	166	0	0	0	112.9
1412	T	22.1	Very low	26.9	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	78%	0.777	S	S	*	*			trans	-123.9	167	-166.5	46	0	0	0	0	114.3
1413	L	31.5	Very low	26.9	Very low	160 Å²	160	136.2 Å²	136.2	84%	0.838	79%	0.786	S	S	*	*			trans	-45.3	158.4	-179.1	-61.8	165.7	0	0	0	117.3
1414	P	27.3	Very low	26.9	Very low	119 Å²	119	133.2 Å²	133.2	77%	0.773	78%	0.778	S	S	*	*			trans	-127.8	154.8	137.8	37.6	-28.1	0	0	0	114.4
1415	I	23.3	Very low	26.9	Very low	150 Å²	150	134.6 Å²	134.6	77%	0.769	77%	0.772	S	S	*	*			trans	-112.5	136.4	173.4	-60.3	170.4	0	0	0	108.5
1416	P	28.9	Very low	26.5	Very low	122 Å²	122	135.5 Å²	135.5	79%	0.792	77%	0.771	S	S	*	*			trans	-83.3	149	177.5	33.7	-34.5	0	0	0	112.9
1417	N	28.5	Very low	26.4	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	77%	0.765	S	S	*	*			trans	-147.6	133.7	-175.2	-141.1	-6.1	0	0	0	111.5
1418	I	26	Very low	26.4	Very low	158 Å²	158	135.3 Å²	135.3	81%	0.81	76%	0.763	S	S	*	*			trans	177.3	157.2	175.8	-108.3	163.6	0	0	0	107.5
1419	V	25.9	Very low	26	Very low	127 Å²	127	133.3 Å²	133.3	77%	0.77	76%	0.758	S	S	*	*			cis	-106	-128.2	9.4	-154.5	0	0	0	0	111.5
1420	T	24.5	Very low	25.8	Very low	124 Å²	124	133.2 Å²	133.2	76%	0.761	76%	0.759	S	S	*	*			trans	-153.5	167.1	-175.9	53	0	0	0	0	113.1
1421	S	26.5	Very low	25.9	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	76%	0.764	S	S	*	*			trans	94.7	140	162.8	79	0	0	0	0	118.7
1422	S	26.1	Very low	25.8	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	77%	0.772	S	S	*	*			cis	-167.2	172.9	-20.2	49.6	0	0	0	0	112
1423	I	26.1	Very low	25.9	Very low	151 Å²	151	135 Å²	135	77%	0.774	77%	0.766	S	S	*	*			trans	84.6	83.6	164.2	-49.4	179.5	0	0	0	118.3
1424	N	25.2	Very low	25.4	Very low	127 Å²	127	134.4 Å²	134.4	68%	0.679	76%	0.756	S	S	*	*				59.9	112.9	115	-73.8	29.6	0	0	0	125
1425	E	26.1	Very low	25.2	Very low	142 Å²	142	133.1 Å²	133.1	66%	0.664	76%	0.756	S	S	*	*				102.4	133.2	108	-84.1	-174.4	-137.4	0	0	123.8
1426	N	26.1	Very low	25.2	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	75%	0.751	S	S	*	*			trans	70.7	136.7	146.3	-59.5	-22.9	0	0	0	119.8
1427	S	26	Very low	24.9	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	75%	0.751	S	S	*	*			cis	-171.9	158.5	0.1	47.6	0	0	0	0	115.2
1428	L	25	Very low	24.5	Very low	147 Å²	147	132 Å²	132	77%	0.77	75%	0.747	S	S	*	*			trans	69.6	111.6	149.9	-94.2	78.6	0	0	0	124.4
1429	N	24.3	Very low	24.4	Very low	133 Å²	133	130.1 Å²	130.1	71%	0.711	74%	0.743	S	S	*	*				81.4	112.6	120	-72	3.2	0	0	0	125.6
1430	C	22	Very low	24.3	Very low	127 Å²	127	135.3 Å²	135.3	86%	0.858	75%	0.75	S	S	*	*				74.1	107.8	123.3	-62.6	0	0	0	0	122.4
1431	G	27	Very low	24.3	Very low	81 Å²	81	135.2 Å²	135.2	84%	0.835	75%	0.745	S	S	*	*			trans	-178.7	124.1	155.7	0	0	0	0	0	113.3
1432	Y	23.7	Very low	24.2	Very low	226 Å²	226	135.5 Å²	135.5	89%	0.886	75%	0.747	S	S	*	*			trans	-119.7	121.3	-176.1	-110.7	-87.2	0	0	0	112.1
1433	Q	23.4	Very low	24.1	Very low	135 Å²	135	136.7 Å²	136.7	63%	0.631	75%	0.75	S	S	*	*				-175.1	165.1	126.1	-104.2	165	87.8	0	0	114.2	S321	S321-Q1433 PolarHBondContact OG-OE1 2.71Å
1434	K	21.9	Very low	24	Very low	148 Å²	148	134.2 Å²	134.2	64%	0.643	75%	0.751	S	S	*	*			trans	-74.9	132.7	-161.4	-53	154.2	-175.8	156.8	0	114.1	S320	S320-K1434 PolarHBondContact O-NZ 3.09Å
1435	A	22.6	Very low	24	Very low	92 Å²	92	132.5 Å²	132.5	76%	0.76	75%	0.75	S	S	*	*			trans	-162.7	115	137.9	0	0	0	0	0	112
1436	H	23.7	Very low	23.9	Very low	144 Å²	144	134 Å²	134	67%	0.667	76%	0.757	S	S	*	*			trans	18.3	137	157.9	-71	-103	0	0	0	123
1437	S	21.7	Very low	24	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	77%	0.765	S	S	*	*			trans	88.3	159.2	162.3	78.9	0	0	0	0	118.9
1438	I	21.7	Very low	24	Very low	151 Å²	151	134.1 Å²	134.1	77%	0.774	77%	0.766	S	S	*	*			trans	84.6	103.9	175.5	-51.9	179.1	0	0	0	117.7
1439	V	23.6	Very low	24	Very low	118 Å²	118	132.8 Å²	132.8	72%	0.715	76%	0.764	S	S	*	*				25.1	140.2	129.6	-171.1	0	0	0	0	120.7
1440	Y	22.8	Very low	23.9	Very low	235 Å²	235	131 Å²	131	92%	0.922	76%	0.758	S	S	*	*			trans	-133.3	155	144.5	-106.5	-88.9	0	0	0	111
1441	D	25	Very low	24.1	Very low	123 Å²	123	133.5 Å²	133.5	66%	0.658	75%	0.75	S	S	*	*			trans	-134	158.3	-171.2	-178.4	6.8	0	0	0	109.6
1442	S	23.9	Very low	23.9	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	74%	0.74	S	S	*	*			trans	-167.4	62.7	178	-79	0	0	0	0	116.1
1443	V	25.2	Very low	24.1	Very low	128 Å²	128	132.5 Å²	132.5	78%	0.776	74%	0.735	S	S	*	*			trans	23.7	124	130.9	-174.5	0	0	0	0	121.3
1444	A	24.1	Very low	24.5	Very low	98 Å²	98	130.4 Å²	130.4	81%	0.81	73%	0.733	S	S	*	*			trans	-179.5	148.9	133.4	0	0	0	0	0	110.1
1445	S	24.9	Very low	24.7	Very low	92 Å²	92	129.6 Å²	129.6	64%	0.643	74%	0.736	S	S	*	*			cis	-152.7	136.2	6	-169.7	0	0	0	0	112.6
1446	Q	24.1	Very low	24.9	Very low	173 Å²	173	131.6 Å²	131.6	81%	0.808	73%	0.733	S	S	*	*			trans	46.1	138.2	141.7	-61.4	167.5	-6.4	0	0	120.4
1447	D	27.4	Very low	25	Very low	164 Å²	164	129.8 Å²	129.8	88%	0.877	73%	0.728	S	S	*	*			cis	-137.7	176.3	35.8	-85.7	-44	0	0	0	113.9
1448	G	25.3	Very low	25.1	Very low	70 Å²	70	133.1 Å²	133.1	72%	0.722	73%	0.725	S	S	*	*			trans	168.6	-50.6	158.8	0	0	0	0	0	121.2
1449	V	24.9	Very low	25.1	Very low	118 Å²	118	131 Å²	131	72%	0.715	71%	0.712	S	S	*	*			trans	64.1	114	173.5	-173.9	0	0	0	0	119.8
1450	T	23.9	Very low	25.1	Very low	96 Å²	96	134.5 Å²	134.5	59%	0.589	71%	0.712	S	S	*	*			trans	-16.9	153	156.9	59	0	0	0	0	122.5
1451	Y	25.1	Very low	25.2	Very low	180 Å²	180	132.4 Å²	132.4	71%	0.706	71%	0.708	S	S	*	*				-171.7	115.2	112.6	-96.2	-81.2	0	0	0	107.5
1452	L	23.5	Very low	25.5	Very low	118 Å²	118	131.2 Å²	131.2	62%	0.618	71%	0.707	S	S	*	*				87.1	106.7	62.2	-88.1	169.9	0	0	0	115.8
1453	E	27.5	Very low	25.5	Very low	167 Å²	167	132 Å²	132	78%	0.78	70%	0.702	S	S	*	*			trans	66.1	168.4	134.7	-88.9	-168.3	-154.7	0	0	121.8
1454	P	32.4	Very low	25.5	Very low	92 Å²	92	132.4 Å²	132.4	60%	0.597	70%	0.7	S	S	*	*			cis	-137	-177.9	-27.6	30.3	-9.7	0	0	0	115.1
1455	N	25.5	Very low	25.7	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	70%	0.702	S	S	*	*				112.5	155.4	119.1	-120.3	-27.8	0	0	0	122.9
1456	L	26	Very low	25.9	Very low	133 Å²	133	138.7 Å²	138.7	70%	0.696	71%	0.707	S	S	*	*			trans	77.9	72.3	152.2	-68.3	163.5	0	0	0	121
1457	N	25.5	Very low	26	Very low	106 Å²	106	135.8 Å²	135.8	57%	0.567	70%	0.704	S	S	*	*				77.2	132.3	105	-82.7	0	0	0	0	123.8
1458	Y	23.9	Very low	25.9	Very low	184 Å²	184	132.9 Å²	132.9	72%	0.722	69%	0.688	S	S	*	*				78.6	137.7	128.1	-75.5	-162.6	0	0	0	117.8
1459	Q	23.7	Very low	26.1	Very low	108 Å²	108	134.9 Å²	134.9	51%	0.505	70%	0.697	S	S	.	*			cis	-176	145.6	17.7	-122.8	-176.4	36.2	0	0	112.2
1460	R	23.4	Very low	26	Very low	190 Å²	190	136.2 Å²	136.2	72%	0.717	69%	0.691	S	S	*	*			trans	67.9	116.4	132.8	-83.5	176.3	-165.8	166.9	-8.6	123.1
1461	K	24.6	Very low	26.1	Very low	191 Å²	191	137.2 Å²	137.2	83%	0.83	70%	0.702	S	S	*	*				82.6	162.9	117.8	-87.1	-163.5	169.4	-171.9	0	117.9
1462	P	30.7	Very low	26	Very low	99 Å²	99	137.7 Å²	137.7	64%	0.643	70%	0.702	S	S	*	*			trans	-131.6	-153.1	-134.8	45.1	-27	0	0	0	112
1463	N	24.4	Very low	26	Very low	134 Å²	134	139 Å²	139	72%	0.717	71%	0.709	S	S	*	*			trans	121.9	139.1	160.9	-63.5	-26.1	0	0	0	111.6
1464	N	24.1	Very low	25.8	Very low	137 Å²	137	137.8 Å²	137.8	73%	0.733	71%	0.708	S	S	*	*			trans	33.2	114.7	137.6	-47.9	-7.2	0	0	0	117.5
1465	D	29.7	Very low	25.3	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	72%	0.717	S	S	*	*				-156.6	123.1	92	-90.2	-23.5	0	0	0	112.2
1466	Q	27.6	Very low	25.2	Very low	161 Å²	161	141.2 Å²	141.2	75%	0.752	71%	0.711	S	S	*	*			trans	-84.7	145.5	153.3	-74.7	-173	-25.7	0	0	107.2
1467	P	27.3	Very low	25.3	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	70%	0.699	S	S	*	*				-147.5	129.4	91.1	34.6	-16.1	0	0	0	116.5
1468	N	24.7	Very low	25.2	Very low	103 Å²	103	138.8 Å²	138.8	55%	0.551	70%	0.702	S	S	*	*				52.9	108.4	120.4	-49.4	-14.7	0	0	0	123	Y1470	N1468-Y1470 HydrophobicContact CB-CD2 3.63Å; N1468-Y1470 HydrophobicContact CB-CE2 4.34Å; N1468-Y1470 HydrophobicContact CB-CG 4.3Å; N1468-Y1470 WeakPolarHBondContact OD1-CD2 3.48Å; N1468-Y1470 VanDerWaalsContact OD1-CE2 3.23Å; N1468-Y1470 WeakPolarHBondContact OD1-CE2 3.47Å
1469	A	29.4	Very low	25.2	Very low	111 Å²	111	134.2 Å²	134.2	92%	0.917	70%	0.697	S	S	*	*			trans	-157.2	90.3	132.9	0	0	0	0	0	107.7
1470	Y	23.7	Very low	25.3	Very low	146 Å²	146	138.7 Å²	138.7	57%	0.573	72%	0.716	S	S	*	*			cis	78.8	67.4	29.8	-99.2	-76.6	0	0	0	117.1	N1468 R1472	N1468-Y1470 HydrophobicContact CB-CD2 3.63Å; N1468-Y1470 HydrophobicContact CB-CE2 4.34Å; N1468-Y1470 HydrophobicContact CB-CG 4.3Å; N1468-Y1470 WeakPolarHBondContact OD1-CD2 3.48Å; N1468-Y1470 VanDerWaalsContact OD1-CE2 3.23Å; N1468-Y1470 WeakPolarHBondContact OD1-CE2 3.47Å; Y1470-R1472 HydrophobicContact CD1-CG 3.89Å; Y1470-R1472 HydrophobicContact CE1-CG 4.3Å
1471	S	25.6	Very low	26	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	72%	0.715	S	S	*	*			trans	-155.1	119.9	137.4	53.3	0	0	0	0	109.4
1472	R	23.3	Very low	26.4	Very low	190 Å²	190	130.3 Å²	130.3	72%	0.717	71%	0.708	S	S	*	*			cis	104.1	143.3	22.3	-82	-171.7	157.3	164.8	-1.1	113.9	Y1470	Y1470-R1472 HydrophobicContact CD1-CG 3.89Å; Y1470-R1472 HydrophobicContact CE1-CG 4.3Å
1473	L	23	Very low	26.2	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	70%	0.704	S	S	*	*			trans	76.9	132.2	167.3	-55.3	128.5	0	0	0	114.6
1474	N	23.8	Very low	26.1	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	72%	0.715	S	S	*	*			cis	91.2	137.7	24.6	-65.2	4.1	0	0	0	115.6
1475	Y	21.4	Very low	26.2	Very low	200 Å²	200	131.7 Å²	131.7	78%	0.784	72%	0.715	S	S	*	*			trans	85.1	128.5	149.1	-96.4	-131.9	0	0	0	122
1476	V	23.4	Very low	25.9	Very low	95 Å²	95	132.7 Å²	132.7	58%	0.576	71%	0.712	S	S	*	*			trans	75.7	151	133.2	165.6	0	0	0	0	119.6	T1492	V1476-T1492 WeakPolarHBondContact O-CB 3.49Å; V1476-T1492 PolarHBondContact O-OG1 3.44Å
1477	P	27.6	Very low	25.8	Very low	68 Å²	68	129.8 Å²	129.8	44%	0.442	70%	0.702	S	S	.	*			trans	-120.5	-176.6	-155.6	44.4	-30.9	0	0	0	116.7	A1491 T1492 T1493	P1477-A1491 CarbonylContact C-O 3.54Å; P1477-T1492 CarbonylContact C-O 3.52Å; P1477-T1492 WeakPolarHBondContact CA-O 3.22Å; P1477-T1493 WeakPolarHBondContact CA-OG1 3.43Å; P1477-T1493 WeakPolarHBondContact CB-OG1 3.48Å
1478	D	23.1	Very low	25.8	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	71%	0.706	S	S	*	*			trans	90.6	94.1	158.4	-68.8	-37.5	0	0	0	119.7	T1492	D1478-T1492 PolarHBondContact N-O 2.89Å
1479	S	25.3	Very low	25.9	Very low	89 Å²	89	140.3 Å²	140.3	62%	0.622	72%	0.719	S	S	*	*				82	157.6	124.9	78.7	0	0	0	0	122.6
1480	F	25.7	Very low	25.9	Very low	202 Å²	202	142.9 Å²	142.9	89%	0.886	71%	0.712	S	S	*	*			trans	72	164.1	164.5	-74.1	-71.8	0	0	0	121.9
1481	S	37	Very low	26.2	Very low	100 Å²	100	139 Å²	139	70%	0.699	71%	0.711	S	S	*	*			trans	-114.9	167.5	-159.6	51.1	0	0	0	0	112.9
1482	P	32.8	Very low	26.4	Very low	105 Å²	105	137.5 Å²	137.5	68%	0.682	70%	0.697	S	S	*	*			trans	-106.8	138.1	162.9	36.2	-26.8	0	0	0	113
1483	D	28.4	Very low	26.6	Very low	105 Å²	105	132.6 Å²	132.6	56%	0.561	69%	0.688	S	S	*	*			trans	49.6	131	144.6	-49.4	-16.5	0	0	0	119.6	F1486 N1487	D1483-F1486 VanDerWaalsContact OD1-C 3.31Å; D1483-F1486 WeakPolarHBondContact OD1-CA 3.08Å; D1483-F1486 PolarHBondContact OD1-N 3.42Å; D1483-N1487 PolarHBondContact OD1-N 3.49Å; D1483-N1487 VanDerWaalsContact OD1-N 3.1Å
1484	E	21.8	Very low	26.9	Very low	203 Å²	203	131.4 Å²	131.4	95%	0.949	69%	0.687	S	S	*	*	S	Bend	cis	-63	139.2	20.8	-59.3	-169.7	144.9	0	0	115.5
1485	A	26.7	Very low	27.1	Very low	90 Å²	90	131.2 Å²	131.2	74%	0.744	69%	0.691	S	S	*	*	S	Bend	trans	86.8	64.5	-179.5	0	0	0	0	0	120.4
1486	F	22.7	Very low	27.3	Very low	181 Å²	181	125.9 Å²	125.9	79%	0.794	69%	0.688	S	S	*	*			trans	71	94.9	146	-76.4	-109.4	0	0	0	121.5	D1483	D1483-F1486 VanDerWaalsContact OD1-C 3.31Å; D1483-F1486 WeakPolarHBondContact OD1-CA 3.08Å; D1483-F1486 PolarHBondContact OD1-N 3.42Å
1487	N	26	Very low	27.5	Very low	100 Å²	100	128.8 Å²	128.8	54%	0.535	70%	0.7	S	S	.	*				79.3	110.7	128.6	-76.9	-71.7	0	0	0	122.9	D1483	D1483-N1487 PolarHBondContact OD1-N 3.49Å; D1483-N1487 VanDerWaalsContact OD1-N 3.1Å
1488	R	26.2	Very low	27.3	Very low	218 Å²	218	134 Å²	134	82%	0.823	72%	0.716	S	S	*	*			trans	80.4	104.7	135.1	-60.5	178.2	179.8	-166.2	-1.4	123.1
1489	R	27.1	Very low	27.5	Very low	219 Å²	219	136.3 Å²	136.3	83%	0.826	73%	0.726	S	S	*	*			trans	85.6	121.5	132.6	-67.2	-174.4	178	-169.5	-0.1	123.8
1490	E	28.6	Very low	27.4	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	74%	0.735	S	S	*	*			trans	90.6	110.5	137.1	-70.4	167	-139.5	0	0	124.1
1491	A	30.8	Very low	27.4	Very low	65 Å²	65	133.2 Å²	133.2	54%	0.537	73%	0.73	S	S	.	*			trans	103.7	103.8	132.8	0	0	0	0	0	125.8	P1477	P1477-A1491 CarbonylContact C-O 3.54Å
1492	T	28.8	Very low	26.7	Very low	85 Å²	85	136.8 Å²	136.8	52%	0.521	74%	0.738	S	S	.	*			trans	75.2	145.4	137.7	11	0	0	0	0	128	V1476 P1477 D1478	V1476-T1492 WeakPolarHBondContact O-CB 3.49Å; V1476-T1492 PolarHBondContact O-OG1 3.44Å; P1477-T1492 CarbonylContact C-O 3.52Å; P1477-T1492 WeakPolarHBondContact CA-O 3.22Å; D1478-T1492 PolarHBondContact N-O 2.89Å
1493	T	29.1	Very low	26.4	Very low	88 Å²	88	138.9 Å²	138.9	54%	0.54	74%	0.743	S	S	.	*			trans	80.9	103.9	155.2	26.9	0	0	0	0	124.7	P1477	P1477-T1493 WeakPolarHBondContact CA-OG1 3.43Å; P1477-T1493 WeakPolarHBondContact CB-OG1 3.48Å
1494	T	29.7	Very low	26.1	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	75%	0.753	S	S	*	*			trans	67.4	116.7	131.8	49.4	0	0	0	0	125.6
1495	V	26.8	Very low	26.2	Very low	137 Å²	137	139.7 Å²	139.7	83%	0.83	74%	0.738	S	S	*	*				68.5	122.4	128.1	176	0	0	0	0	119.5
1496	A	26.5	Very low	26.1	Very low	88 Å²	88	142.4 Å²	142.4	73%	0.727	74%	0.74	S	S	*	*			cis	-150.2	-112.5	-14.9	0	0	0	0	0	110.9
1497	N	26.7	Very low	26.2	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	74%	0.74	S	S	*	*			cis	-164.2	169.8	-1	-159.5	-0.2	0	0	0	111.7
1498	K	23.8	Very low	26.1	Very low	177 Å²	177	142.3 Å²	142.3	77%	0.77	76%	0.757	S	S	*	*			trans	74.6	106.8	165.4	-158	-179.5	-174.3	-173.7	0	119.1
1499	I	26.4	Very low	26	Very low	169 Å²	169	143 Å²	143	87%	0.867	76%	0.759	S	S	*	*			trans	-136	137.5	163	-73.1	178.3	0	0	0	108.2
1500	D	24.1	Very low	25.9	Very low	150 Å²	150	136 Å²	136	80%	0.802	74%	0.744	S	S	*	*			trans	-89.4	142.8	163.8	-79.7	-64.1	0	0	0	109.8
1501	G	25.9	Very low	25.7	Very low	76 Å²	76	136.1 Å²	136.1	78%	0.784	74%	0.739	S	S	*	*			trans	179.5	128.9	179.1	0	0	0	0	0	114.3
1502	M	22.6	Very low	25.5	Very low	176 Å²	176	138.4 Å²	138.4	87%	0.867	75%	0.748	S	S	*	*			trans	-87	178.6	-178.6	-63.2	162.1	62.5	0	0	112.5
1503	L	25	Very low	25.4	Very low	149 Å²	149	146.2 Å²	146.2	78%	0.78	77%	0.768	S	S	*	*			trans	88.9	109.4	160.6	-55.9	167.2	0	0	0	118.8
1504	R	22.7	Very low	25.1	Very low	208 Å²	208	148 Å²	148	79%	0.785	78%	0.784	S	S	*	*				24.6	126.5	112.6	-76	-171.4	-172.1	-169.8	3.8	115.9
1505	N	23.9	Very low	24.8	Very low	117 Å²	117	145.8 Å²	145.8	63%	0.626	79%	0.785	S	S	*	*				-172.3	167.4	57.6	-123.7	31.8	0	0	0	112.9
1506	D	24.7	Very low	24.6	Very low	147 Å²	147	150.1 Å²	150.1	79%	0.786	79%	0.786	S	S	*	*			trans	52	139.7	149.1	-46.9	-29.5	0	0	0	123.6
1507	G	23.9	Very low	24.4	Very low	77 Å²	77	153.9 Å²	153.9	79%	0.794	79%	0.794	S	S	*	*			trans	149.8	91.1	158.9	0	0	0	0	0	117.3
1508	F	24.6	Very low	24.2	Very low	201 Å²	201	155.2 Å²	155.2	88%	0.882	80%	0.797	S	S	*	*			trans	-67.9	157.9	166.2	-88.6	-110.4	0	0	0	112.5
1509	W	24.9	Very low	24.2	Very low	233 Å²	233	152.6 Å²	152.6	88%	0.883	80%	0.796	S	S	*	*				-169.7	161.8	123.7	-98.7	104.1	0	0	0	111.2
1510	S	23.5	Very low	24	Very low	72 Å²	72	150.4 Å²	150.4	50%	0.503	79%	0.785	S	S	.	*			trans	-113.4	156.6	-162.8	55.9	0	0	0	0	115.1
1511	Y	24.6	Very low	23.9	Very low	167 Å²	167	147.2 Å²	147.2	66%	0.655	78%	0.775	S	S	*	*				172.1	141.5	120.8	-109.2	-87.4	0	0	0	112.2	S1727	Y1511-S1727 WeakPolarHBondContact OH-CB 3.46Å
1512	P	28.4	Very low	23.7	Very low	113 Å²	113	149.3 Å²	149.3	73%	0.734	77%	0.768	S	S	*	*			trans	-82.5	156.9	178.7	32.6	-38.1	0	0	0	114.4
1513	R	25.8	Very low	23.7	Very low	249 Å²	249	146.5 Å²	146.5	94%	0.94	76%	0.763	S	S	*	*			trans	-141	141.7	159.9	-81.5	-167.5	173.4	-176.2	-1.5	112
1514	S	23.2	Very low	23.7	Very low	127 Å²	127	144.1 Å²	144.1	89%	0.888	75%	0.75	S	S	*	*			trans	-63.8	131.6	174.3	52.7	0	0	0	0	112.7
1515	G	23.6	Very low	23.7	Very low	73 Å²	73	139.8 Å²	139.8	75%	0.753	74%	0.743	S	S	*	*			trans	-153.5	117.4	167.6	0	0	0	0	0	110.4	L1517	G1515-L1517 PolarHBondContact O-N 3.46Å
1516	R	22.2	Very low	23.6	Very low	228 Å²	228	141.6 Å²	141.6	86%	0.86	75%	0.745	S	S	*	*			trans	-64.3	120.6	176	-75.3	175.6	168.2	169.4	-6.5	109.9
1517	L	22.9	Very low	23.6	Very low	168 Å²	168	143.2 Å²	143.2	88%	0.88	74%	0.742	S	S	*	*			trans	-161	149.4	158.5	-106.1	154.7	0	0	0	109.5	G1515	G1515-L1517 PolarHBondContact O-N 3.46Å
1518	M	21.1	Very low	23.7	Very low	183 Å²	183	147.2 Å²	147.2	90%	0.901	74%	0.74	S	S	*	*			trans	-76.7	124.8	-163.6	-55.5	164.9	-169.8	0	0	112.6
1519	T	23.3	Very low	23.6	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	73%	0.73	S	S	*	*			trans	-139.9	135.2	164.9	47.2	0	0	0	0	109.8	S1521	T1519-S1521 PolarHBondContact O-N 2.92Å
1520	L	22.9	Very low	23.6	Very low	123 Å²	123	140.2 Å²	140.2	64%	0.644	73%	0.729	S	S	*	*			trans	-86.3	103	-171.7	-70.6	88.3	0	0	0	111	M422	M422-L1520 HydrophobicContact CE-CD2 3.88Å; M422-L1520 HydrophobicContact SD-CD2 3.74Å
1521	S	22.3	Very low	23.7	Very low	82 Å²	82	143.1 Å²	143.1	57%	0.573	74%	0.743	S	S	*	*			trans	-139	27.7	177.8	54.8	0	0	0	0	114.3	T1519	T1519-S1521 PolarHBondContact O-N 2.92Å
1522	N	22.7	Very low	23.7	Very low	120 Å²	120	139.6 Å²	139.6	64%	0.642	74%	0.743	S	S	*	*			trans	-88.1	134.7	166.2	-74.5	-23.7	0	0	0	110.8	L1524	N1522-L1524 HydrophobicContact CB-CB 3.9Å; N1522-L1524 HydrophobicContact CB-CD1 4.15Å; N1522-L1524 HydrophobicContact CB-CG 3.64Å; N1522-L1524 PolarHBondContact O-N 3.29Å
1523	P	22.8	Very low	23.5	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	75%	0.746	S	S	*	*			trans	-70.9	75.2	144.7	32.9	-29.7	0	0	0	107	N1525	P1523-N1525 PolarHBondContact O-N 3.08Å
1524	L	23	Very low	23.4	Very low	99 Å²	99	137.3 Å²	137.3	52%	0.518	74%	0.742	S	S	.	*			trans	-68.1	104.8	-174.2	-118.3	168.4	0	0	0	108.8	N1522 F1526	N1522-L1524 HydrophobicContact CB-CB 3.9Å; N1522-L1524 HydrophobicContact CB-CD1 4.15Å; N1522-L1524 HydrophobicContact CB-CG 3.64Å; N1522-L1524 PolarHBondContact O-N 3.29Å; L1524-F1526 HydrophobicContact CB-CD2 4.36Å; L1524-F1526 HydrophobicContact CB-CE2 4.38Å; L1524-F1526 PolarHBondContact O-N 3.06Å
1525	N	23.4	Very low	23.5	Very low	117 Å²	117	136.2 Å²	136.2	63%	0.626	73%	0.732	S	S	*	*			trans	-51.2	101.7	143	-75.8	-22.3	0	0	0	106.3	P1523 Y1527	P1523-N1525 PolarHBondContact O-N 3.08Å; N1525-Y1527 HydrophobicContact CB-CD2 4.24Å; N1525-Y1527 PolarHBondContact O-N 3.21Å
1526	F	22.4	Very low	23.4	Very low	155 Å²	155	139.5 Å²	139.5	68%	0.68	74%	0.738	S	S	*	*			trans	-65.8	87.8	164.3	-88.6	-89.1	0	0	0	107.4	L1524 E1528	L1524-F1526 HydrophobicContact CB-CD2 4.36Å; L1524-F1526 HydrophobicContact CB-CE2 4.38Å; L1524-F1526 PolarHBondContact O-N 3.06Å; F1526-E1528 PolarHBondContact O-N 3.3Å
1527	Y	25.1	Very low	23.5	Very low	181 Å²	181	136 Å²	136	71%	0.71	73%	0.731	S	S	*	*			trans	-63.5	121.2	155.7	-99.7	-100	0	0	0	107	N1525 D1529	N1525-Y1527 HydrophobicContact CB-CD2 4.24Å; N1525-Y1527 PolarHBondContact O-N 3.21Å; Y1527-D1529 PolarHBondContact O-N 3.27Å
1528	E	24.6	Very low	23.6	Very low	161 Å²	161	138 Å²	138	75%	0.752	73%	0.729	S	S	*	*			trans	-78.9	71	168	-67.9	-174.8	121	0	0	108.7	F1526 N1530	F1526-E1528 PolarHBondContact O-N 3.3Å; E1528-N1530 VanDerWaalsContact C-N 3.34Å; E1528-N1530 PolarHBondContact O-N 3.34Å
1529	D	23.4	Very low	23.7	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	72%	0.724	S	S	*	*			trans	-69.9	90.7	172.9	-76.8	-26.7	0	0	0	109.6	Y1527	Y1527-D1529 PolarHBondContact O-N 3.27Å
1530	N	24.9	Very low	23.8	Very low	160 Å²	160	138.1 Å²	138.1	86%	0.856	71%	0.714	S	S	*	*			trans	176.2	59.3	138	-88.9	-32	0	0	0	115	E1528	E1528-N1530 VanDerWaalsContact C-N 3.34Å; E1528-N1530 PolarHBondContact O-N 3.34Å
1531	V	25.4	Very low	24	Very low	134 Å²	134	138.5 Å²	138.5	81%	0.812	72%	0.717	S	S	*	*	S	Bend	trans	-144.8	97.7	145.3	-178.1	0	0	0	0	110.5
1532	S	23.9	Very low	24.1	Very low	92 Å²	92	137 Å²	137	64%	0.643	70%	0.704	S	S	*	*			trans	40.3	126	156.3	67.1	0	0	0	0	122.6
1533	N	25.2	Very low	24.4	Very low	151 Å²	151	137 Å²	137	81%	0.807	70%	0.704	S	S	*	*			trans	89.3	106.4	143.9	-58.9	-16.4	0	0	0	120.9
1534	L	24.1	Very low	24.6	Very low	164 Å²	164	134.3 Å²	134.3	86%	0.859	70%	0.697	S	S	*	*			trans	-1.6	159.8	142.1	-81.9	73.4	0	0	0	121.2
1535	P	23.7	Very low	24.6	Very low	103 Å²	103	133.4 Å²	133.4	67%	0.669	70%	0.698	S	S	*	*			cis	-131.6	151.4	5.5	35.4	-17.9	0	0	0	116.9	Q1537	P1535-Q1537 PolarHBondContact O-N 2.77Å
1536	T	22.6	Very low	24.7	Very low	142 Å²	142	132.8 Å²	132.8	87%	0.871	69%	0.691	S	S	*	*			trans	-77.8	101.1	154.8	39	0	0	0	0	111
1537	Q	23.3	Very low	24.9	Very low	155 Å²	155	130.5 Å²	130.5	72%	0.724	69%	0.686	S	S	*	*			trans	-167.8	111.4	164.2	-116.9	167.2	-1.8	0	0	113.3	P1535	P1535-Q1537 PolarHBondContact O-N 2.77Å
1538	Y	25.1	Very low	24.8	Very low	210 Å²	210	129 Å²	129	82%	0.824	68%	0.679	S	S	*	*			trans	-158.8	72.7	159.6	-99.9	-69.4	0	0	0	111.4
1539	Y	24.5	Very low	24.8	Very low	207 Å²	207	127.7 Å²	127.7	81%	0.812	67%	0.672	S	S	*	*	S	Bend	trans	-170.9	131.5	143.5	-109.1	-67	0	0	0	109.5
1540	D	25.1	Very low	25	Very low	100 Å²	100	128 Å²	128	54%	0.535	67%	0.67	S	S	.	*			trans	56.7	122.1	-156	-69.4	-35	0	0	0	111.2	R972	R972-D1540 IonicContact CZ-OD1 2.79Å; R972-D1540 IonicContact NH2-OD1 3.5Å; R972-D1540 PolarHBondContact NH2-OD1 2.73Å
1541	D	25.9	Very low	24.9	Very low	131 Å²	131	127 Å²	127	70%	0.701	66%	0.66	S	S	*	*				-134.2	168.6	67.6	-123.9	-38.4	0	0	0	116.1
1542	T	25.3	Very low	24.8	Very low	50 Å²	50	127.3 Å²	127.3	31%	0.307	65%	0.652	S	S	.	*			trans	-161.2	126.8	173	-44.2	0	0	0	0	109.2	N1052	N1052-T1542 PolarHBondContact ND2-OG1 3.25Å
1543	L	28.6	Very low	24.9	Very low	122 Å²	122	129.6 Å²	129.6	64%	0.639	65%	0.652	S	S	*	*			trans	94.7	136.2	-157.3	-62.2	153	0	0	0	111.2	K975	K975-L1543 HydrophobicContact CD-CD1 4.24Å
1544	G	26.7	Very low	25	Very low	60 Å²	60	130.1 Å²	130.1	62%	0.619	65%	0.65	S	S	*	*			cis	154.8	120	-2.7	0	0	0	0	0	109.9
1545	C	24.2	Very low	25.1	Very low	79 Å²	79	127.3 Å²	127.3	53%	0.534	64%	0.636	S	S	.	*			trans	-73.6	148.8	-167.1	-53.9	0	0	0	0	114.7	L1044	L1044-C1545 HydrophobicContact CD1-CB 3.95Å
1546	Q	25.6	Very low	25.6	Very low	104 Å²	104	126.7 Å²	126.7	49%	0.486	63%	0.631	S	S	.	*			trans	179.6	155	130.4	-96.5	177.8	-57.7	0	0	108	N1041	N1041-Q1546 VanDerWaalsContact CG-NE2 3.28Å; N1041-Q1546 PolarHBondContact ND2-OE1 2.87Å; N1041-Q1546 VanDerWaalsContact ND2-OE1 3.13Å; N1041-Q1546 PolarHBondContact OD1-NE2 2.78Å; N1041-Q1546 PolarHBondContact OD1-OE1 3.17Å
1547	L	26.3	Very low	25.7	Very low	108 Å²	108	126.8 Å²	126.8	57%	0.565	63%	0.627	S	S	*	*			cis	-138.7	177.4	4.3	-126.7	165.4	0	0	0	109.2
1548	R	22.9	Very low	25.8	Very low	149 Å²	149	126.4 Å²	126.4	56%	0.562	63%	0.629	S	S	*	*			trans	-85.3	165.4	-177.1	-62	-176.4	-176.2	156.3	6.8	113.4	I1043	I1043-R1548 HydrophobicContact CD1-CG 3.61Å
1549	H	25.2	Very low	25.7	Very low	133 Å²	133	120.3 Å²	120.3	62%	0.616	62%	0.622	S	S	*	*				120.3	142.8	116.5	-98.4	-46.2	0	0	0	118.9
1550	H	25.9	Very low	25.6	Very low	135 Å²	135	115.1 Å²	115.1	63%	0.625	62%	0.616	S	S	*	*			trans	73.7	109.3	154.2	-76.7	-72.3	0	0	0	120.6
1551	Q	23.9	Very low	25.6	Very low	139 Å²	139	117.6 Å²	117.6	65%	0.65	63%	0.625	S	S	*	*				65.7	108.2	127.3	-69.5	178.4	-69.1	0	0	118
1552	Q	22.8	Very low	25.4	Very low	139 Å²	139	119.3 Å²	119.3	65%	0.65	63%	0.626	S	S	*	*				91.4	141.9	87.6	-82.4	-179.3	-61.6	0	0	113
1553	H	26	Very low	25.2	Very low	140 Å²	140	127.4 Å²	127.4	65%	0.648	65%	0.653	S	S	*	*			trans	66.7	111.1	163.7	-65	-60.9	0	0	0	119.9
1554	H	27	Very low	24.9	Very low	162 Å²	162	125.8 Å²	125.8	75%	0.75	65%	0.652	S	S	*	*			trans	58.9	102.7	133.4	-56.4	-56.2	0	0	0	121.3
1555	N	26	Very low	24.7	Very low	105 Å²	105	128.3 Å²	128.3	56%	0.561	66%	0.655	S	S	*	*				66.7	151.8	129.4	-91.2	19.3	0	0	0	121.2
1556	P	34	Very low	24.6	Very low	90 Å²	90	130.6 Å²	130.6	58%	0.584	66%	0.662	S	S	*	*			trans	-91	160.6	-170.5	37.4	-36.5	0	0	0	112.7
1557	N	26.3	Very low	24.4	Very low	144 Å²	144	132.4 Å²	132.4	77%	0.77	67%	0.673	S	S	*	*				-163.4	161.8	118	-113.4	-35.2	0	0	0	116
1558	L	24.6	Very low	24.3	Very low	147 Å²	147	134 Å²	134	77%	0.77	68%	0.678	S	S	*	*			trans	21.9	110.8	157.1	-92.1	69.6	0	0	0	120.6
1559	A	23	Very low	24.2	Very low	83 Å²	83	134.4 Å²	134.4	69%	0.686	69%	0.686	S	S	*	*				74.6	145.9	107.8	0	0	0	0	0	122.7
1560	S	22.8	Very low	24.1	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	69%	0.694	S	S	*	*			trans	95.8	144.3	141.3	86.7	0	0	0	0	119.9
1561	Q	23.6	Very low	23.9	Very low	152 Å²	152	135.9 Å²	135.9	71%	0.71	70%	0.701	S	S	*	*			trans	81.6	122.4	143.7	-78.6	175.2	24.1	0	0	121.9
1562	F	23.2	Very low	23.7	Very low	167 Å²	167	139.4 Å²	139.4	73%	0.732	71%	0.708	S	S	*	*			trans	60.6	129.4	159.3	-47.6	-59.4	0	0	0	118.7
1563	Y	21.2	Very low	23.8	Very low	220 Å²	220	136.8 Å²	136.8	86%	0.863	71%	0.706	S	S	*	*			cis	75.7	120.1	47.3	-90.2	-83.7	0	0	0	115.8
1564	S	21.4	Very low	23.6	Very low	88 Å²	88	137 Å²	137	62%	0.615	71%	0.707	S	S	*	*			trans	81.7	132	135.7	-159.7	0	0	0	0	119.9
1565	T	22.4	Very low	23.6	Very low	113 Å²	113	134.4 Å²	134.4	69%	0.693	70%	0.698	S	S	*	*			trans	63.6	146.9	144.3	44.7	0	0	0	0	118.4
1566	D	21.8	Very low	23.5	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	71%	0.705	S	S	*	*			cis	-167.6	171.6	-11.1	-124.7	-17.8	0	0	0	108.6
1567	I	22.8	Very low	23	Very low	141 Å²	141	141.1 Å²	141.1	72%	0.723	71%	0.714	S	S	*	*			trans	58.9	142.3	145.8	-70.8	165.4	0	0	0	119.5
1568	H	22.7	Very low	23	Very low	142 Å²	142	137.6 Å²	137.6	66%	0.657	71%	0.712	S	S	*	*			cis	-175.5	142.8	-27.2	-140.5	-98.9	0	0	0	107.7
1569	H	22.7	Very low	23.1	Very low	158 Å²	158	138 Å²	138	73%	0.731	72%	0.715	S	S	*	*			trans	64	165.5	177.6	-52.8	-64	0	0	0	115.3
1570	L	22.1	Very low	23.2	Very low	150 Å²	150	139.7 Å²	139.7	79%	0.785	72%	0.72	S	S	*	*			cis	-121.1	165.2	11.4	-67.5	154.8	0	0	0	109.6
1571	L	21	Very low	23.3	Very low	149 Å²	149	138 Å²	138	78%	0.78	72%	0.719	S	S	*	*				54.2	131.2	58.2	-91.8	169.8	0	0	0	114.8
1572	R	21	Very low	23.5	Very low	212 Å²	212	138.9 Å²	138.9	80%	0.8	72%	0.72	S	S	*	*			trans	75.8	130	-172.9	-53	-175.6	-174.4	-156.2	-0	114.3
1573	S	23.2	Very low	23.7	Very low	85 Å²	85	140 Å²	140	59%	0.594	72%	0.721	S	S	*	*			cis	85.5	151.3	30.4	83.6	0	0	0	0	115.1
1574	E	23.8	Very low	23.8	Very low	145 Å²	145	136 Å²	136	68%	0.678	71%	0.714	S	S	*	*			trans	63.7	136.5	-168.8	-62.5	104	-99.7	0	0	114.2
1575	D	25.6	Very low	24	Very low	106 Å²	106	138 Å²	138	57%	0.567	72%	0.718	S	S	*	*			cis	-146.6	141.5	-3.8	-114.2	-3.8	0	0	0	106.9	R1577	D1575-R1577 IonicContact OD1-NH1 3.84Å; D1575-R1577 IonicContact OD2-NH1 3.13Å; D1575-R1577 PolarHBondContact OD2-NH1 3.39Å
1576	N	24.3	Very low	24	Very low	130 Å²	130	138.2 Å²	138.2	70%	0.695	72%	0.723	S	S	*	*			cis	69	125	29.3	-159.2	2.3	0	0	0	113.4
1577	R	24.1	Very low	24.1	Very low	206 Å²	206	135.8 Å²	135.8	78%	0.777	72%	0.721	S	S	*	*			trans	81.6	137.6	-175.9	-49.8	141.9	173.9	164	-3.5	115.9	D1575	D1575-R1577 IonicContact OD1-NH1 3.84Å; D1575-R1577 IonicContact OD2-NH1 3.13Å; D1575-R1577 PolarHBondContact OD2-NH1 3.39Å
1578	G	26.1	Very low	24	Very low	71 Å²	71	137.5 Å²	137.5	73%	0.732	73%	0.731	S	S	*	*			trans	144.3	40.3	-175.5	0	0	0	0	0	112.7
1579	N	26.3	Very low	23.9	Very low	155 Å²	155	135 Å²	135	83%	0.829	73%	0.729	S	S	*	*				46.4	115.6	99.6	-90.8	-8.8	0	0	0	113.3
1580	C	26.1	Very low	24	Very low	118 Å²	118	133 Å²	133	80%	0.797	73%	0.729	S	S	*	*			cis	-139.7	158.9	11.4	-61.3	0	0	0	0	110
1581	G	25.1	Very low	23.9	Very low	63 Å²	63	130.7 Å²	130.7	65%	0.649	73%	0.725	S	S	*	*			cis	106.8	139.9	13.5	0	0	0	0	0	111.6
1582	K	26.4	Very low	24.3	Very low	171 Å²	171	128.8 Å²	128.8	74%	0.743	72%	0.721	S	S	*	*			trans	78.6	132.5	-170.2	-57.4	171.2	177.1	171.2	0	113.8
1583	Y	27.6	Very low	24.4	Very low	189 Å²	189	124.5 Å²	124.5	74%	0.741	72%	0.724	S	S	*	*			cis	-142.8	138.9	-9.9	-81.4	-60.7	0	0	0	106.3
1584	L	23.8	Very low	24.5	Very low	137 Å²	137	123.5 Å²	123.5	72%	0.717	73%	0.727	S	S	*	*				56.1	128.6	59.1	-65.7	162.8	0	0	0	111.3
1585	N	24.1	Very low	24.6	Very low	131 Å²	131	128.2 Å²	128.2	70%	0.701	74%	0.74	S	S	*	*			cis	-171.3	159.1	35.8	-122.5	-24.4	0	0	0	110.8
1586	S	22.5	Very low	24.5	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	75%	0.753	S	S	*	*			trans	61.3	155.1	150.4	68.5	0	0	0	0	119.2
1587	A	23.9	Very low	24.7	Very low	77 Å²	77	130.8 Å²	130.8	64%	0.636	75%	0.751	S	S	*	*			cis	-140.3	162.8	-10.1	0	0	0	0	0	107.2
1588	L	21.3	Very low	24.7	Very low	176 Å²	176	126.1 Å²	126.1	92%	0.921	75%	0.75	S	S	*	*			cis	71.8	39.1	20.8	-126	-174.8	0	0	0	116.7
1589	S	22	Very low	24.7	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	75%	0.746	S	S	*	*			trans	-167.5	145	162.5	56.9	0	0	0	0	115.5
1590	T	22.8	Very low	24.6	Very low	117 Å²	117	125.3 Å²	125.3	72%	0.718	74%	0.742	S	S	*	*			trans	49	116.4	139.9	57.9	0	0	0	0	122.5
1591	S	21.8	Very low	24.4	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	74%	0.744	S	S	*	*				19.7	163.6	109.7	65.4	0	0	0	0	121.6
1592	P	29	Very low	24.3	Very low	108 Å²	108	131.7 Å²	131.7	70%	0.701	74%	0.744	S	S	*	*			cis	-138.7	-166.6	-25.5	37.4	-17.5	0	0	0	113.6
1593	S	23.2	Very low	24.2	Very low	123 Å²	123	133.1 Å²	133.1	86%	0.86	75%	0.745	S	S	*	*			trans	66.6	157.1	162.5	73.4	0	0	0	0	117.1
1594	G	24.6	Very low	24	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	74%	0.744	S	S	*	*			cis	-150.1	164.6	-12.5	0	0	0	0	0	107.6
1595	Y	26.4	Very low	24.1	Very low	244 Å²	244	130.4 Å²	130.4	96%	0.957	74%	0.743	S	S	*	*			cis	-144	161.5	43.4	-108	-108.1	0	0	0	113.2
1596	K	23.6	Very low	24.1	Very low	189 Å²	189	131 Å²	131	82%	0.822	74%	0.744	S	S	*	*			trans	-122.6	-175.2	172.2	-119.1	-174.6	179.7	-178.8	0	106.8
1597	P	29	Very low	24.2	Very low	101 Å²	101	131.1 Å²	131.1	66%	0.656	74%	0.736	S	S	*	*			cis	-138.1	-162.7	-25.6	37.7	-18.5	0	0	0	112.7
1598	S	22.6	Very low	24.3	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	74%	0.741	S	S	*	*			trans	73.7	157.5	146.3	69.1	0	0	0	0	119.2
1599	G	26.3	Very low	24.4	Very low	63 Å²	63	132.9 Å²	132.9	65%	0.649	73%	0.731	S	S	*	*			cis	-145.5	157.6	1.2	0	0	0	0	0	112.2
1600	I	23.9	Very low	24.5	Very low	146 Å²	146	136.3 Å²	136.3	75%	0.749	74%	0.738	S	S	*	*				108.1	109	71.3	-78.2	163.7	0	0	0	110.3
1601	F	21.6	Very low	24.6	Very low	191 Å²	191	137.4 Å²	137.4	84%	0.838	74%	0.735	S	S	*	*			trans	30.8	155.9	146.9	-76.1	-90.5	0	0	0	124.2
1602	N	25	Very low	24.7	Very low	123 Å²	123	142.2 Å²	142.2	66%	0.658	74%	0.739	S	S	*	*			trans	94.1	142.2	168.7	-55.9	-74.9	0	0	0	114.7
1603	R	23.7	Very low	24.4	Very low	201 Å²	201	141.8 Å²	141.8	76%	0.758	74%	0.738	S	S	*	*			cis	-159	148.5	-5.5	-112.4	166.7	-162.1	-163.6	-2.2	108.5
1604	I	22.9	Very low	24.5	Very low	141 Å²	141	143 Å²	143	72%	0.723	73%	0.73	S	S	*	*				42.6	111.6	102.1	-54.1	-177.5	0	0	0	111.7
1605	N	25.8	Very low	25	Very low	129 Å²	129	143.9 Å²	143.9	69%	0.69	72%	0.724	S	S	*	*				-152.5	159.5	53.4	-106.3	-17.2	0	0	0	110.1
1606	I	24.1	Very low	25.2	Very low	142 Å²	142	137.2 Å²	137.2	73%	0.728	71%	0.711	S	S	*	*				58.8	121.3	66.1	-54.1	179.6	0	0	0	110.4
1607	D	25.4	Very low	25.3	Very low	120 Å²	120	134.1 Å²	134.1	64%	0.642	70%	0.702	S	S	*	*				-169.4	166.9	56.7	-151.3	-2.6	0	0	0	114.1
1608	K	25.5	Very low	25.2	Very low	171 Å²	171	137.3 Å²	137.3	74%	0.743	71%	0.712	S	S	*	*			trans	61.7	131.4	161.8	-66	156.9	-171.2	171.8	0	120.2
1609	V	24.1	Very low	25.2	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.715	70%	0.704	S	S	*	*			cis	88.3	127.9	8.5	-168.9	0	0	0	0	117.7
1610	Q	24.2	Very low	25.3	Very low	163 Å²	163	140.8 Å²	140.8	76%	0.762	71%	0.714	S	S	*	*			trans	69.3	154.1	161.8	-79.5	161.8	-8	0	0	119.5
1611	Q	23.1	Very low	25.4	Very low	140 Å²	140	142.1 Å²	142.1	65%	0.654	72%	0.717	S	S	*	*			cis	-167.4	160.8	-25.4	-121.6	176.4	-5.1	0	0	112.1
1612	Y	24.7	Very low	25.7	Very low	202 Å²	202	138.3 Å²	138.3	79%	0.792	71%	0.714	S	S	*	*			trans	34.5	135.3	157.6	-67.8	-67.3	0	0	0	125.5
1613	S	23.1	Very low	25.8	Very low	98 Å²	98	140.9 Å²	140.9	69%	0.685	72%	0.722	S	S	*	*				161.9	167	115.2	53.5	0	0	0	0	115.4	S1299	S1299-S1613 PolarHBondContact OG-O 3.28Å
1614	Q	25	Very low	26.1	Very low	149 Å²	149	136.4 Å²	136.4	70%	0.696	72%	0.719	S	S	*	*			trans	-131.5	-157.4	-174.1	-69	-172.1	-10.7	0	0	112.3
1615	P	35.6	Very low	26.5	Very low	83 Å²	83	136.3 Å²	136.3	54%	0.539	72%	0.715	S	S	.	*				-115.3	-165.8	-81.3	38.9	-22.1	0	0	0	112.2
1616	P	29.5	Very low	26.6	Very low	103 Å²	103	138.7 Å²	138.7	67%	0.669	72%	0.716	S	S	*	*				-158.8	145.2	87.7	39.8	-18.3	0	0	0	120
1617	I	26.3	Very low	26.7	Very low	124 Å²	124	143 Å²	143	64%	0.636	72%	0.723	S	S	*	*			trans	21.1	130.2	137	-57.5	166.3	0	0	0	121.3
1618	L	27	Very low	26.8	Very low	168 Å²	168	148.2 Å²	148.2	88%	0.88	73%	0.734	S	S	*	*				-161.3	158.9	127.5	-110.1	168.9	0	0	0	113.3
1619	I	23.5	Very low	26.8	Very low	114 Å²	114	150.4 Å²	150.4	59%	0.585	74%	0.743	S	S	*	*			trans	-142	145	-166.2	-59.8	167.8	0	0	0	110.8	Q1621	I1619-Q1621 HydrophobicContact CG2-CG 3.95Å
1620	P	27.5	Very low	26.8	Very low	131 Å²	131	149.3 Å²	149.3	85%	0.851	74%	0.741	S	S	*	*			trans	-112.1	152.9	143.9	-4.4	25.4	0	0	0	113.1
1621	Q	25.2	Very low	26.9	Very low	173 Å²	173	150.3 Å²	150.3	81%	0.808	75%	0.745	S	S	*	*			trans	-117.1	-177	-169.5	-60	178.7	-52.8	0	0	113.6	I1619	I1619-Q1621 HydrophobicContact CG2-CG 3.95Å
1622	S	28.1	Very low	27.1	Very low	112 Å²	112	151.3 Å²	151.3	78%	0.783	75%	0.754	S	S	*	*			trans	92	151.1	162.6	83.7	0	0	0	0	117.5
1623	H	28.2	Very low	27.3	Very low	176 Å²	176	149.2 Å²	149.2	82%	0.815	75%	0.751	S	S	*	*			cis	-143.5	152.1	4.1	-138.8	-74.4	0	0	0	111
1624	P	29	Very low	27.3	Very low	108 Å²	108	151.4 Å²	151.4	70%	0.701	76%	0.755	S	S	*	*			trans	-122.1	164.1	-172	41.6	-30.4	0	0	0	116.5
1625	E	30.7	Very low	27.6	Very low	139 Å²	139	152.3 Å²	152.3	65%	0.65	76%	0.759	S	S	*	*			trans	-167.5	151.9	160.1	-112	170.9	-153.2	0	0	107.8	N649	N649-E1625 PolarHBondContact ND2-OE2 2.98Å
1626	Y	29.6	Very low	27.2	Very low	179 Å²	179	153.9 Å²	153.9	70%	0.702	77%	0.767	S	S	*	*			cis	-127.6	156.2	8.3	-117.5	-92.5	0	0	0	111.8	N649	N649-Y1626 WeakPolarHBondContact OD1-CD2 3.22Å; N649-Y1626 VanDerWaalsContact OD1-CE2 3.26Å; N649-Y1626 WeakPolarHBondContact OD1-CE2 3.42Å
1627	R	25.6	Very low	27	Very low	232 Å²	232	156.2 Å²	156.2	88%	0.875	77%	0.772	S	S	*	*			trans	-148.9	151.1	172.3	-161.4	-177.2	-167.5	-165	5.9	110.1
1628	R	27.1	Very low	26.9	Very low	230 Å²	230	154.6 Å²	154.6	87%	0.868	77%	0.772	S	S	*	*			trans	110.2	113.4	168.7	-62.8	176.5	-170	-151.2	3.8	116.7
1629	K	26.8	Very low	27	Very low	216 Å²	216	153 Å²	153	94%	0.939	77%	0.77	S	S	*	*				-139.9	124.4	111.2	-99.3	-171.4	176.9	-176.9	0	108.2
1630	S	24.1	Very low	27.1	Very low	95 Å²	95	154.6 Å²	154.6	66%	0.664	78%	0.778	S	S	*	*			trans	-168.4	158.7	179.7	56	0	0	0	0	110.8
1631	Q	24.7	Very low	27	Very low	184 Å²	184	153.6 Å²	153.6	86%	0.86	77%	0.774	S	S	*	*			trans	78.1	163.2	169.4	-56	-175.3	-57.5	0	0	118
1632	I	28.5	Very low	27.1	Very low	162 Å²	162	148.7 Å²	148.7	83%	0.831	76%	0.756	S	S	*	*			trans	75.2	113.9	-163.2	-50.5	173.9	0	0	0	110.3
1633	H	28.1	Very low	27.1	Very low	157 Å²	157	147 Å²	147	73%	0.727	74%	0.735	S	S	*	*			cis	-136.5	167.4	12.2	-148.1	58.7	0	0	0	113.2
1634	N	24.4	Very low	26.9	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	72%	0.722	S	S	*	*			trans	-108.4	172.4	172.5	-80.4	2.1	0	0	0	110.3
1635	Q	29.4	Very low	26.8	Very low	169 Å²	169	144.9 Å²	144.9	79%	0.79	72%	0.72	S	S	*	*			trans	105.4	134.8	-178.3	-64.9	168.4	1.3	0	0	111.5
1636	T	28.3	Very low	27	Very low	115 Å²	115	143.2 Å²	143.2	71%	0.706	72%	0.721	S	S	*	*			cis	-155.4	126.2	-3.7	12.4	0	0	0	0	107.1
1637	I	24.7	Very low	26.8	Very low	152 Å²	152	144.9 Å²	144.9	78%	0.779	73%	0.726	S	S	*	*				67.3	128.3	89.9	-64.4	179	0	0	0	115.5
1638	S	24.8	Very low	26.9	Very low	90 Å²	90	144.9 Å²	144.9	63%	0.629	73%	0.728	S	S	*	*			trans	66.6	97.3	161.4	66.6	0	0	0	0	121.1
1639	T	28.3	Very low	26.8	Very low	136 Å²	136	137.9 Å²	137.9	83%	0.834	72%	0.719	S	S	*	*				-165	106	97.8	30.5	0	0	0	0	108.4
1640	I	26.9	Very low	26.6	Very low	147 Å²	147	132.7 Å²	132.7	75%	0.754	71%	0.709	S	S	*	*				70.9	113.9	72.5	-65.4	173.5	0	0	0	113
1641	S	25.3	Very low	26.7	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	72%	0.719	S	S	*	*			trans	61.5	125.4	164	-126.8	0	0	0	0	116.3
1642	T	27	Very low	26.8	Very low	70 Å²	70	128.4 Å²	128.4	43%	0.429	71%	0.712	S	S	.	*			cis	-133.8	156.8	22.8	54.8	0	0	0	0	111.8	Q1206	Q1206-T1642 PolarHBondContact NE2-O 2.89Å
1643	Q	26.8	Very low	26.6	Very low	76 Å²	76	127.8 Å²	127.8	36%	0.355	71%	0.708	S	S	.	*				66.3	102.6	118.3	-177.6	-158.4	-33.7	0	0	118	Q1206 T1207 E1208	Q1206-Q1643 VanDerWaalsContact C-NE2 3.31Å; Q1206-Q1643 VanDerWaalsContact CA-O 3.3Å; Q1206-Q1643 WeakPolarHBondContact CA-O 3.33Å; Q1206-Q1643 HydrophobicContact CB-CB 4.04Å; Q1206-Q1643 HydrophobicContact CB-CG 3.74Å; Q1206-Q1643 WeakPolarHBondContact CB-O 3.32Å; Q1206-Q1643 WeakPolarHBondContact CG-O 3.33Å; Q1206-Q1643 PolarHBondContact NE2-O 2.91Å; Q1206-Q1643 PolarHBondContact O-NE2 3.16Å; T1207-Q1643 CarbonylContact O-C 3.12Å; T1207-Q1643 WeakPolarHBondContact O-CA 3.4Å; T1207-Q1643 VanDerWaalsContact O-CG 3.24Å; T1207-Q1643 WeakPolarHBondContact O-CG 3.45Å; E1208-Q1643 HydrophobicContact CB-CB 4.33Å; E1208-Q1643 HydrophobicContact CB-CG 4.16Å
1644	L	25.6	Very low	26.5	Very low	104 Å²	104	122.8 Å²	122.8	55%	0.545	70%	0.699	S	S	.	*			trans	176.4	127.8	136.5	-144.9	-176.9	0	0	0	110.2	D1205 T1207	D1205-L1644 HydrophobicContact CB-CD1 4.37Å; T1207-L1644 HydrophobicContact CG2-CD2 4.04Å; T1207-L1644 VanDerWaalsContact O-CA 3.31Å; T1207-L1644 WeakPolarHBondContact O-CA 3.24Å; T1207-L1644 PolarHBondContact O-N 3.47Å
1645	E	25.7	Very low	26.6	Very low	137 Å²	137	118.9 Å²	118.9	64%	0.64	68%	0.678	S	S	*	*			trans	-148.2	170.9	167.8	-104.6	-147	-177.9	0	0	112.8
1646	P	35.5	Very low	26.7	Very low	104 Å²	104	113.8 Å²	113.8	68%	0.675	66%	0.66	S	S	*	*			trans	-94.2	-150.8	-169.4	38.4	-34.1	0	0	0	112.7
1647	W	26.1	Very low	26.7	Very low	214 Å²	214	112.9 Å²	112.9	81%	0.811	65%	0.651	S	S	*	*			trans	154.9	135.7	148.1	-78.3	19.4	0	0	0	107.9
1648	Y	26	Very low	26.8	Very low	232 Å²	232	108.5 Å²	108.5	91%	0.91	63%	0.633	S	S	*	*				71.7	159.5	67.2	-92.5	-83.8	0	0	0	115
1649	A	25.6	Very low	27	Very low	83 Å²	83	108 Å²	108	69%	0.686	63%	0.629	S	S	*	*			trans	-102.4	168.1	-160.4	0	0	0	0	0	114.8
1650	S	22.7	Very low	26.9	Very low	106 Å²	106	104.7 Å²	104.7	74%	0.741	61%	0.612	S	S	*	*			trans	59.5	84.9	149.3	-56.6	0	0	0	0	120.2
1651	A	26.4	Very low	27	Very low	105 Å²	105	105 Å²	105	87%	0.868	62%	0.615	S	S	*	*			trans	-165.9	173.9	150.1	0	0	0	0	0	111
1652	A	26.6	Very low	27.1	Very low	85 Å²	85	103.6 Å²	103.6	70%	0.702	61%	0.605	S	S	*	*				-170.3	128.6	-62.1	0	0	0	0	0	109.2
1653	I	23.9	Very low	27.1	Very low	149 Å²	149	107.4 Å²	107.4	76%	0.764	62%	0.623	S	S	*	*			trans	56.4	113.2	150.1	-57.9	175.4	0	0	0	120.9	V1119	V1119-I1653 HydrophobicContact CG2-CB 3.96Å; V1119-I1653 HydrophobicContact CG2-CG1 4.24Å; V1119-I1653 HydrophobicContact CG2-CG2 3.58Å
1654	G	26.5	Very low	27.1	Very low	52 Å²	52	107.8 Å²	107.8	54%	0.536	63%	0.634	S	S	.	*			trans	-179.3	132.6	158.8	0	0	0	0	0	118	V1119	V1119-G1654 VanDerWaalsContact CG2-N 3.34Å
1655	L	26.5	Very low	27.1	Very low	62 Å²	62	109 Å²	109	33%	0.325	64%	0.642	S	S	.	*			trans	-111.7	-165.2	174.7	-114.3	-169.3	0	0	0	110.4	A1118 I1120	A1118-L1655 HydrophobicContact CB-CD1 3.91Å; A1118-L1655 VanDerWaalsContact O-CB 3.28Å; A1118-L1655 WeakPolarHBondContact O-CB 3.48Å; A1118-L1655 WeakPolarHBondContact O-CD1 3.43Å; A1118-L1655 WeakPolarHBondContact O-CG 3.14Å; I1120-L1655 HydrophobicContact CB-CD2 3.81Å; I1120-L1655 HydrophobicContact CD1-CD2 3.98Å; I1120-L1655 HydrophobicContact CG1-CD2 3.84Å; I1120-L1655 HydrophobicContact CG1-CG 4.47Å
1656	P	32.5	Very low	27.1	Very low	62 Å²	62	112.5 Å²	112.5	40%	0.403	65%	0.649	S	S	.	*			cis	-139.5	179.1	-32.4	38.4	-20.9	0	0	0	116.5	T1215	T1215-P1656 VanDerWaalsContact CG2-C 3.42Å; T1215-P1656 WeakPolarHBondContact CG2-O 3.23Å
1657	N	27.3	Very low	26.6	Very low	96 Å²	96	117.6 Å²	117.6	51%	0.513	66%	0.655	S	S	.	*			trans	78.1	123.2	149.5	-59.5	-26.2	0	0	0	126.8	T1215	T1215-N1657 WeakPolarHBondContact CB-O 3.34Å; T1215-N1657 WeakPolarHBondContact CG2-O 3.13Å; T1215-N1657 PolarHBondContact OG1-O 3.02Å
1658	S	27.3	Very low	26.5	Very low	59 Å²	59	113.8 Å²	113.8	41%	0.413	65%	0.649	S	S	.	*			trans	95.5	125.4	147.3	15.4	0	0	0	0	126.8	T1215 G1216 I1217	T1215-S1658 CarbonylContact C-O 3.6Å; G1216-S1658 WeakPolarHBondContact CA-O 3.41Å; G1216-S1658 PolarHBondContact N-O 2.85Å; I1217-S1658 VanDerWaalsContact N-C 3.27Å
1659	S	27.9	Very low	26.4	Very low	79 Å²	79	110.6 Å²	110.6	55%	0.552	65%	0.645	S	S	*	*			cis	-155.4	122.2	4	-69.4	0	0	0	0	123.3	G1216 I1217	G1216-S1659 VanDerWaalsContact CA-N 3.34Å; I1217-S1659 VanDerWaalsContact N-N 3.18Å
1660	S	28	Very low	26.3	Very low	67 Å²	67	110.4 Å²	110.4	47%	0.469	64%	0.638	S	S	.	*			trans	79	149.5	130.3	72.7	0	0	0	0	128.2	I1217	I1217-S1660 VanDerWaalsContact CG2-CB 3.45Å; I1217-S1660 PolarHBondContact O-N 3.2Å
1661	N	27.7	Very low	26.5	Very low	153 Å²	153	111.1 Å²	111.1	82%	0.818	63%	0.634	S	S	*	*			trans	63.1	165.5	147.5	-78.1	-23	0	0	0	121.6
1662	S	26.9	Very low	26.4	Very low	80 Å²	80	117.1 Å²	117.1	56%	0.559	64%	0.635	S	S	*	*			cis	-172.9	151.1	-36.8	66.3	0	0	0	0	110.9
1663	N	27.2	Very low	26.3	Very low	151 Å²	151	116.2 Å²	116.2	81%	0.807	64%	0.635	S	S	*	*			trans	61.8	160.9	156.4	-68.8	-43.6	0	0	0	119.2
1664	S	27.1	Very low	26.5	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	64%	0.64	S	S	*	*			cis	-165.8	177.2	-31.6	66.4	0	0	0	0	109.6
1665	N	25.6	Very low	26.3	Very low	131 Å²	131	118.4 Å²	118.4	70%	0.701	65%	0.649	S	S	*	*			trans	38.2	130	142.5	-68.4	-48.5	0	0	0	120
1666	R	26.1	Very low	26.4	Very low	209 Å²	209	120.3 Å²	120.3	79%	0.789	67%	0.666	S	S	*	*			cis	-173.8	146.8	39	-121.6	162.1	-157.6	-171.1	7.8	112.5
1667	R	24.2	Very low	26.1	Very low	212 Å²	212	124 Å²	124	80%	0.8	68%	0.681	S	S	*	*			trans	37.5	126.4	131.5	-70.8	-175.9	-177.8	-168.7	-0.4	122.5
1668	L	23.6	Very low	25.8	Very low	134 Å²	134	125.8 Å²	125.8	70%	0.702	69%	0.69	S	S	*	*				72.6	134.3	124.6	-65.7	171.9	0	0	0	121.1
1669	M	24.6	Very low	25.7	Very low	165 Å²	165	129.5 Å²	129.5	81%	0.813	70%	0.702	S	S	*	*			trans	68.1	145.9	147.8	-66.9	161.6	70.2	0	0	117.1
1670	S	24.6	Very low	25.6	Very low	78 Å²	78	131.1 Å²	131.1	55%	0.545	71%	0.709	S	S	.	*			cis	-163.6	-178.2	-18.5	48.5	0	0	0	0	109
1671	D	25.3	Very low	25.4	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	72%	0.72	S	S	*	*			trans	69.7	124.8	145	-61.3	-34.5	0	0	0	122.2
1672	Y	24.9	Very low	25.2	Very low	231 Å²	231	131.6 Å²	131.6	91%	0.906	71%	0.71	S	S	*	*			trans	35.3	127.1	140.8	-63	-90.8	0	0	0	121.4
1673	G	25.3	Very low	25.3	Very low	67 Å²	67	134.8 Å²	134.8	69%	0.691	72%	0.716	S	S	*	*			trans	174.2	85	161.6	0	0	0	0	0	116.7
1674	T	27.4	Very low	25.2	Very low	141 Å²	141	134.8 Å²	134.8	87%	0.865	71%	0.711	S	S	*	*			trans	29.7	126	139.7	55.1	0	0	0	0	121.6
1675	S	22.3	Very low	25.2	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	72%	0.721	S	S	*	*			trans	-59.6	-173.8	145.1	57.3	0	0	0	0	111.4
1676	P	28.4	Very low	25.1	Very low	103 Å²	103	143.3 Å²	143.3	67%	0.669	72%	0.722	S	S	*	*			cis	-147	-147.7	19.9	36.4	-8.9	0	0	0	114.4
1677	I	25.9	Very low	25.1	Very low	140 Å²	140	140.5 Å²	140.5	72%	0.718	72%	0.717	S	S	*	*			trans	77	110.2	163.6	-64.9	155	0	0	0	113.8
1678	D	21.9	Very low	25.2	Very low	132 Å²	132	137.9 Å²	137.9	71%	0.706	71%	0.714	S	S	*	*				89.8	158.6	51	-176.3	38.1	0	0	0	112.9
1679	M	25.1	Very low	25.3	Very low	138 Å²	138	140 Å²	140	68%	0.68	72%	0.72	S	S	*	*			trans	96.1	81.1	165.1	-55.1	-160.2	173	0	0	121.4
1680	T	24.5	Very low	25.4	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	72%	0.722	S	S	*	*				81.9	148	116.3	71.1	0	0	0	0	124.1
1681	N	25.2	Very low	25.4	Very low	131 Å²	131	141.6 Å²	141.6	70%	0.701	74%	0.735	S	S	*	*			trans	89.5	101.6	132.4	-78.2	-2.9	0	0	0	124.3
1682	T	23.9	Very low	25.5	Very low	98 Å²	98	141 Å²	141	60%	0.601	74%	0.741	S	S	*	*				51.8	123.2	119.2	59.6	0	0	0	0	122.3
1683	H	28.8	Very low	25.5	Very low	148 Å²	148	140.3 Å²	140.3	69%	0.685	74%	0.737	S	S	*	*				168.2	124.8	108	-85.2	-67.2	0	0	0	108.1
1684	Q	23.7	Very low	25.5	Very low	150 Å²	150	143.5 Å²	143.5	70%	0.701	74%	0.738	S	S	*	*				78.6	152.9	73	-85.7	-174.1	-33.8	0	0	116
1685	Y	27.5	Very low	25.7	Very low	204 Å²	204	144.9 Å²	144.9	80%	0.8	73%	0.734	S	S	*	*			trans	80.3	104	-174.3	-58.4	-79	0	0	0	114.9
1686	R	23	Very low	26.2	Very low	190 Å²	190	145.9 Å²	145.9	72%	0.717	73%	0.731	S	S	*	*			cis	91.1	138	22.6	-155.6	-167.2	-170.5	-148.6	5.2	113.7
1687	H	26.4	Very low	26.2	Very low	149 Å²	149	147.4 Å²	147.4	69%	0.69	73%	0.734	S	S	*	*			trans	79.7	145.5	173.8	-55.8	-45.4	0	0	0	115.7
1688	E	26.7	Very low	26.5	Very low	158 Å²	158	146.2 Å²	146.2	74%	0.738	73%	0.729	S	S	*	*			cis	-153.1	175.2	-1.6	-132.2	147.7	-142.2	0	0	113.5
1689	H	24.9	Very low	26.7	Very low	179 Å²	179	146 Å²	146	83%	0.829	73%	0.728	S	S	*	*			trans	-83.6	164.7	174	-69.4	-107.6	0	0	0	112.3
1690	V	27.7	Very low	26.8	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	73%	0.732	S	S	*	*				-172.3	157	123.3	139.8	0	0	0	0	111.1
1691	V	23.8	Very low	26.9	Very low	135 Å²	135	150.2 Å²	150.2	82%	0.818	74%	0.742	S	S	*	*			trans	-116.8	135	-178.2	173.3	0	0	0	0	110.5
1692	S	28.1	Very low	26.8	Very low	109 Å²	109	152.4 Å²	152.4	76%	0.762	75%	0.748	S	S	*	*			trans	-159.4	91.3	162.3	56.2	0	0	0	0	113.9
1693	R	24.2	Very low	26.7	Very low	216 Å²	216	156.1 Å²	156.1	82%	0.815	76%	0.759	S	S	*	*				25.1	150.9	126	-115.9	-174.5	166.3	136.2	4.8	123.5
1694	D	26	Very low	26.4	Very low	133 Å²	133	153.1 Å²	153.1	71%	0.711	76%	0.755	S	S	*	*			trans	90.4	160	144.6	-62.2	-28.6	0	0	0	121.2
1695	E	31.4	Very low	26.4	Very low	170 Å²	170	153.8 Å²	153.8	79%	0.794	76%	0.755	S	S	*	*			trans	87.4	90.6	172	-51.1	-137.2	138.6	0	0	120.9
1696	N	33	Very low	26.3	Very low	126 Å²	126	153.5 Å²	153.5	67%	0.674	75%	0.753	S	S	*	*				69.1	103.6	115.1	-57	-29.7	0	0	0	122
1697	N	29.5	Very low	26.5	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	75%	0.754	S	S	*	*				65.9	140.3	116.3	-90.9	45.9	0	0	0	124.6
1698	D	30.2	Very low	26.6	Very low	116 Å²	116	150.4 Å²	150.4	62%	0.62	75%	0.753	S	S	*	*			trans	79.8	82.4	139.6	-66.8	-37.2	0	0	0	122
1699	N	27.9	Very low	26.5	Very low	127 Å²	127	147.4 Å²	147.4	68%	0.679	75%	0.748	S	S	*	*				85	137.6	121.3	-56.6	-45.9	0	0	0	121.2
1700	N	25.4	Very low	26.5	Very low	143 Å²	143	142.5 Å²	142.5	77%	0.765	72%	0.724	S	S	*	*			trans	62.2	101.2	157.8	-52.9	-25.4	0	0	0	117.3
1701	H	27.1	Very low	26.3	Very low	196 Å²	196	142.1 Å²	142.1	91%	0.907	71%	0.714	S	S	*	*				-160.5	151.2	128	-109.2	-75.6	0	0	0	110.9
1702	E	23	Very low	26.4	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	70%	0.696	S	S	*	*			trans	-81.1	-179.3	163.2	-64.8	174.3	117.2	0	0	109.9
1703	E	23.5	Very low	26.1	Very low	177 Å²	177	138 Å²	138	83%	0.827	68%	0.682	S	S	*	*			trans	75.7	108	175.2	-53.2	-167.1	145.4	0	0	119.9
1704	S	22.4	Very low	26.1	Very low	85 Å²	85	133.3 Å²	133.3	59%	0.594	67%	0.672	S	S	*	*				70.5	174.1	126.9	82	0	0	0	0	121.4
1705	F	22.7	Very low	26	Very low	164 Å²	164	131.4 Å²	131.4	72%	0.719	67%	0.67	S	S	*	*			trans	65.8	151.9	177.1	-55.9	-59.1	0	0	0	116.1
1706	R	25	Very low	25.6	Very low	198 Å²	198	131.3 Å²	131.3	75%	0.747	67%	0.669	S	S	*	*			cis	-153.5	138.2	-5.1	-131.6	161.6	-112.3	-172.2	-2.6	110.4
1707	F	26.9	Very low	25.3	Very low	169 Å²	169	133.4 Å²	133.4	74%	0.741	67%	0.668	S	S	*	*			trans	-73.6	146.1	159.2	-85.4	-78	0	0	0	110.1
1708	P	28.8	Very low	25.2	Very low	104 Å²	104	135.3 Å²	135.3	68%	0.675	67%	0.672	S	S	*	*				-150.5	-170.9	99.7	37.8	-18.8	0	0	0	113.1
1709	P	25.7	Very low	25	Very low	96 Å²	96	137.9 Å²	137.9	62%	0.623	68%	0.678	S	S	*	*			cis	-136.3	133.8	-33.6	27.5	-6.3	0	0	0	115.8
1710	K	23.6	Very low	24.8	Very low	76 Å²	76	139.3 Å²	139.3	33%	0.33	69%	0.685	S	S	.	*				58.2	-173.4	126	-103.8	150.4	163.5	155.1	0	120	W1201 F1202	W1201-K1710 HydrophobicContact CB-CD 4.14Å; W1201-K1710 HydrophobicContact CB-CG 4.01Å; W1201-K1710 VanDerWaalsContact CD1-CG 3.46Å; W1201-K1710 HydrophobicContact CD2-CD 3.53Å; W1201-K1710 HydrophobicContact CD2-CG 4.02Å; W1201-K1710 HydrophobicContact CE3-CD 3.99Å; W1201-K1710 HydrophobicContact CG-CB 4.32Å; W1201-K1710 HydrophobicContact CG-CD 3.61Å; W1201-K1710 HydrophobicContact CG-CG 3.57Å; W1201-K1710 HydrophobicContact CZ2-CD 4.29Å; F1202-K1710 HydrophobicContact CB-CD 4Å; F1202-K1710 HydrophobicContact CB-CG 4.06Å; F1202-K1710 HydrophobicContact CD1-CB 4.27Å; F1202-K1710 HydrophobicContact CD1-CD 3.43Å; F1202-K1710 VanDerWaalsContact CD1-CD 3.43Å; F1202-K1710 HydrophobicContact CD1-CG 3.4Å; F1202-K1710 HydrophobicContact CD2-CD 3.95Å; F1202-K1710 HydrophobicContact CE1-CD 3.82Å; F1202-K1710 HydrophobicContact CE1-CG 4.04Å; F1202-K1710 HydrophobicContact CE2-CD 4.3Å; F1202-K1710 HydrophobicContact CG-CD 3.46Å; F1202-K1710 VanDerWaalsContact CG-CD 3.46Å; F1202-K1710 HydrophobicContact CG-CG 3.76Å; F1202-K1710 HydrophobicContact CZ-CD 4.23Å; F1202-K1710 VanDerWaalsContact N-CG 3.3Å
1711	M	23.7	Very low	24.8	Very low	132 Å²	132	142.5 Å²	142.5	65%	0.65	69%	0.687	S	S	*	*			trans	74.6	166	174.8	-91.9	107.2	172	0	0	119.1	I1200 W1201	I1200-M1711 HydrophobicContact CG2-CG 4.24Å; W1201-M1711 HydrophobicContact CZ2-CE 4.21Å; W1201-M1711 HydrophobicContact CZ2-SD 4.39Å; W1201-M1711 PolarHBondContact NE1-SD 2.95Å
1712	P	26.5	Very low	24.8	Very low	66 Å²	66	139.9 Å²	139.9	43%	0.429	68%	0.68	S	S	.	*			trans	-140.5	167.7	-143.7	49	-34.6	0	0	0	119.8	I1200	I1200-P1712 HydrophobicContact CB-CB 4.32Å; I1200-P1712 HydrophobicContact CB-CG 4.19Å; I1200-P1712 HydrophobicContact CD1-CG 3.86Å; I1200-P1712 HydrophobicContact CG1-CB 3.87Å; I1200-P1712 HydrophobicContact CG1-CG 3.69Å; I1200-P1712 HydrophobicContact CG2-CB 4.05Å; I1200-P1712 HydrophobicContact CG2-CG 3.61Å
1713	I	22.3	Very low	24.9	Very low	91 Å²	91	135.5 Å²	135.5	47%	0.467	67%	0.665	S	S	.	*			trans	24.4	109.6	137.1	-44.6	161	0	0	0	118.6	K1196	K1196-I1713 HydrophobicContact CD-CG2 4.36Å; K1196-I1713 HydrophobicContact CG-CD1 4.25Å; K1196-I1713 HydrophobicContact CG-CG2 4.26Å
1714	L	23.1	Very low	25	Very low	118 Å²	118	132.8 Å²	132.8	62%	0.618	66%	0.656	S	S	*	*				-173.1	141.3	118.4	-101.2	165.2	0	0	0	114.1	K1197	K1197-L1714 HydrophobicContact CG-CD1 4.28Å
1715	S	23.9	Very low	25.2	Very low	94 Å²	94	134.2 Å²	134.2	66%	0.657	67%	0.667	S	S	*	*			trans	35.4	110.2	156.1	57.7	0	0	0	0	123.2
1716	E	23.9	Very low	25.3	Very low	167 Å²	167	129.5 Å²	129.5	78%	0.78	65%	0.647	S	S	*	*				67	157.3	129.6	-56.4	-155.4	151.3	0	0	123.4
1717	R	25.3	Very low	25.3	Very low	171 Å²	171	122.9 Å²	122.9	65%	0.645	63%	0.631	S	S	*	*			trans	69.8	121.1	176.3	-45.2	178	-165.8	-169.5	4	111.7	E1166	E1166-R1717 IonicContact OE1-CZ 3.59Å; E1166-R1717 IonicContact OE1-NH1 2.68Å; E1166-R1717 IonicContact OE1-NH2 3.94Å; E1166-R1717 PolarHBondContact OE1-NH2 2.78Å
1718	H	28.4	Very low	25.1	Very low	175 Å²	175	122.5 Å²	122.5	81%	0.81	63%	0.625	S	S	*	*			cis	-138.3	151.5	25	-54.4	75.8	0	0	0	108.5
1719	K	25.9	Very low	25	Very low	169 Å²	169	126.1 Å²	126.1	74%	0.735	64%	0.637	S	S	*	*			cis	63.4	83.3	24.8	-80.8	-174.1	178	168.9	0	116
1720	L	24.5	Very low	25	Very low	158 Å²	158	126.4 Å²	126.4	83%	0.827	63%	0.632	S	S	*	*			trans	-171.2	83.6	133.7	-105	164.7	0	0	0	112.3
1721	Y	25	Very low	25.1	Very low	209 Å²	209	127.9 Å²	127.9	82%	0.82	65%	0.65	S	S	*	*	S	Bend	trans	-140.3	124.3	142.7	-106.8	-77.6	0	0	0	106
1722	D	26.4	Very low	25.2	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	65%	0.654	S	S	*	*			trans	-87.6	147	-152.1	-160.3	15.9	0	0	0	114
1723	V	26.1	Very low	25.1	Very low	86 Å²	86	131.9 Å²	131.9	52%	0.521	68%	0.677	S	S	.	*			trans	-112.1	101.1	177	179.4	0	0	0	0	108.9	W1138	W1138-V1723 HydrophobicContact CH2-CG1 3.84Å; W1138-V1723 HydrophobicContact CZ3-CG1 4.18Å
1724	N	25.2	Very low	25.2	Very low	119 Å²	119	132.5 Å²	132.5	64%	0.636	69%	0.69	S	S	*	*			trans	-159.5	88.2	157	-99.1	-44.4	0	0	0	113.5
1725	S	26	Very low	25.2	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	70%	0.696	S	S	*	*			trans	-139.6	26.4	159.1	58.1	0	0	0	0	112.7	S1727	S1725-S1727 PolarHBondContact O-N 2.94Å
1726	Q	24.3	Very low	25.1	Very low	64 Å²	64	138.5 Å²	138.5	30%	0.299	71%	0.705	S	S	.	*			trans	-68.8	116.8	164.9	-76.5	-155.8	-64.2	0	0	109.8	D1140	D1140-Q1726 PolarHBondContact OD1-NE2 3.43Å
1727	S	25.5	Very low	25.1	Very low	60 Å²	60	134.9 Å²	134.9	42%	0.42	70%	0.698	S	S	.	*			trans	-154	76.6	168.1	-76.3	0	0	0	0	113.6	Y1511 S1725	Y1511-S1727 WeakPolarHBondContact OH-CB 3.46Å; S1725-S1727 PolarHBondContact O-N 2.94Å
1728	R	23.9	Very low	25	Very low	161 Å²	161	133.9 Å²	133.9	61%	0.608	70%	0.7	S	S	*	*			trans	64.5	119.5	155.1	-52.4	173.7	179.2	171.4	-0.4	118.7	F1145	F1145-R1728 HydrophobicContact CE1-CG 4.45Å; F1145-R1728 HydrophobicContact CE2-CG 4.04Å; F1145-R1728 HydrophobicContact CZ-CG 3.65Å
1729	L	26.1	Very low	24.8	Very low	179 Å²	179	133.6 Å²	133.6	94%	0.937	70%	0.699	S	S	*	*				-143.9	100.5	116.6	-109.5	171.1	0	0	0	108.7
1730	I	25.2	Very low	24.6	Very low	102 Å²	102	130.3 Å²	130.3	52%	0.523	70%	0.697	S	S	.	*			trans	-87.8	133.7	-178.1	-64.8	169.6	0	0	0	108.7
1731	P	25.5	Very low	24.6	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	70%	0.7	S	S	*	*			trans	-75.1	129.3	170.8	30.7	-33	0	0	0	110.7
1732	S	26.4	Very low	24.6	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	70%	0.696	S	S	*	*			trans	-141.8	117.8	174.3	61.2	0	0	0	0	111.7
1733	L	23.5	Very low	24.5	Very low	176 Å²	176	126.7 Å²	126.7	92%	0.921	69%	0.694	S	S	*	*			trans	-79.2	124.9	172.8	-82.8	68.5	0	0	0	110.6
1734	S	24.6	Very low	24.4	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	70%	0.702	S	S	*	*			trans	-157.9	102.3	150.1	57	0	0	0	0	107.6
1735	V	23.9	Very low	24.3	Very low	124 Å²	124	131.3 Å²	131.3	75%	0.752	71%	0.708	S	S	*	*				80	100.2	90.6	164.9	0	0	0	0	111.7
1736	Y	22.5	Very low	24.2	Very low	214 Å²	214	132.1 Å²	132.1	84%	0.839	70%	0.702	S	S	*	*			trans	60.5	153	154.9	-71.5	-110.2	0	0	0	117.1
1737	S	22.6	Very low	24.2	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	72%	0.724	S	S	*	*			cis	-160.5	148.2	-0.2	31.7	0	0	0	0	111.4
1738	H	24	Very low	24.1	Very low	149 Å²	149	137.1 Å²	137.1	69%	0.69	74%	0.738	S	S	*	*			trans	53.1	125.4	145.2	-77.5	-91.6	0	0	0	122.4
1739	H	23.9	Very low	24.2	Very low	169 Å²	169	136 Å²	136	78%	0.782	74%	0.744	S	S	*	*			trans	69.3	153.9	146.3	-60.2	-47.4	0	0	0	118.6
1740	S	22.4	Very low	24.1	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	73%	0.726	S	S	*	*			cis	-138.9	171.2	0.6	59.3	0	0	0	0	112.9
1741	Y	24.5	Very low	24.1	Very low	227 Å²	227	137.3 Å²	137.3	89%	0.89	74%	0.738	S	S	*	*			trans	-49.5	149.4	146.1	-75.8	-121.1	0	0	0	110.3
1742	S	23.6	Very low	24.1	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	74%	0.737	S	S	*	*				-172.3	126.6	122.5	54.3	0	0	0	0	111.6
1743	S	24.3	Very low	24.1	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	73%	0.734	S	S	*	*			trans	-57.8	127.2	142.1	48.6	0	0	0	0	108.9
1744	N	24	Very low	24.3	Very low	128 Å²	128	134.7 Å²	134.7	68%	0.684	73%	0.73	S	S	*	*				163.8	144.6	126.4	-83.6	-12.6	0	0	0	114.2
1745	F	24.1	Very low	24.3	Very low	174 Å²	174	140.5 Å²	140.5	76%	0.763	74%	0.737	S	S	*	*			trans	63.6	123.4	137.5	-79	-127.3	0	0	0	121.2
1746	L	23.8	Very low	24.5	Very low	132 Å²	132	139.5 Å²	139.5	69%	0.691	74%	0.735	S	S	*	*				42.7	125	128.6	-69.6	170.9	0	0	0	121.4
1747	D	23.3	Very low	24.6	Very low	143 Å²	143	132.2 Å²	132.2	77%	0.765	73%	0.725	S	S	*	*			trans	77.2	154.6	132.2	-74.5	-16.9	0	0	0	122.2
1748	A	24.7	Very low	24.9	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	71%	0.711	S	S	*	*			trans	71	92.8	148.4	0	0	0	0	0	118.7
1749	D	24.6	Very low	25	Very low	138 Å²	138	130.9 Å²	130.9	74%	0.738	72%	0.718	S	S	*	*				89.5	139.8	109.1	-97	11.1	0	0	0	122
1750	N	25	Very low	25.1	Very low	101 Å²	101	127.7 Å²	127.7	54%	0.54	71%	0.714	S	S	.	*			trans	44.5	131.1	134.4	-66.2	-46.5	0	0	0	119.1
1751	R	25.2	Very low	25.3	Very low	208 Å²	208	129.7 Å²	129.7	79%	0.785	72%	0.716	S	S	*	*			cis	-176.3	177.9	16.1	-124.3	163.8	-152.2	-162.8	3.6	110.5
1752	S	25.5	Very low	25.5	Very low	96 Å²	96	124 Å²	124	67%	0.671	71%	0.707	S	S	*	*			trans	49.2	112.8	150.6	57.2	0	0	0	0	119
1753	S	26.9	Very low	25.6	Very low	98 Å²	98	128.3 Å²	128.3	69%	0.685	71%	0.713	S	S	*	*			cis	70.2	103.3	49.9	88	0	0	0	0	115.8
1754	V	27.1	Very low	25.6	Very low	139 Å²	139	131.9 Å²	131.9	84%	0.842	72%	0.718	S	S	*	*			trans	-139	97.2	149.4	-177.3	0	0	0	0	105.4
1755	W	25.3	Very low	25.9	Very low	226 Å²	226	137 Å²	137	86%	0.856	73%	0.728	S	S	*	*				60.9	112.5	93	-89.3	57.7	0	0	0	115
1756	S	26.8	Very low	26.1	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	73%	0.729	S	S	*	*				163.6	138.2	87.7	51.5	0	0	0	0	115.6
1757	G	25.7	Very low	26.3	Very low	61 Å²	61	133.3 Å²	133.3	63%	0.629	73%	0.732	S	S	*	*				63.4	109.7	125.7	0	0	0	0	0	122	R1152	R1152-G1757 PolarHBondContact NH2-O 3.1Å
1758	G	27.4	Very low	26.7	Very low	33 Å²	33	133.5 Å²	133.5	34%	0.34	73%	0.733	S	S	.	*			trans	167.5	121.7	156	0	0	0	0	0	111.6	K1151	K1151-G1758 WeakPolarHBondContact CD-O 3.39Å; K1151-G1758 VanDerWaalsContact CE-O 3.22Å; K1151-G1758 WeakPolarHBondContact CE-O 3.39Å; K1151-G1758 PolarHBondContact NZ-O 2.89Å
1759	E	26.7	Very low	27.1	Very low	181 Å²	181	134.2 Å²	134.2	85%	0.846	73%	0.731	S	S	*	*			trans	-106.1	-145	-169.4	-68.1	-172.3	102.1	0	0	113.8
1760	S	26.6	Very low	27.3	Very low	101 Å²	101	135.3 Å²	135.3	71%	0.706	73%	0.731	S	S	*	*			trans	-94.9	173.3	-164.3	52.9	0	0	0	0	113.6
1761	I	27	Very low	27.4	Very low	142 Å²	142	137.5 Å²	137.5	73%	0.728	74%	0.742	S	S	*	*				-169.7	130.4	127	-94.2	151.4	0	0	0	107.7	F1763	I1761-F1763 HydrophobicContact CG2-CD2 4.29Å
1762	P	27.9	Very low	27.5	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	75%	0.745	S	S	*	*			trans	-85.6	167.8	173.7	36.7	-35.3	0	0	0	111.7
1763	F	25	Very low	27.7	Very low	194 Å²	194	142 Å²	142	85%	0.851	75%	0.752	S	S	*	*			trans	-149.2	161.8	159.4	-111.1	-77.7	0	0	0	111.5	I1761	I1761-F1763 HydrophobicContact CG2-CD2 4.29Å
1764	E	24.9	Very low	28	Very low	176 Å²	176	142.4 Å²	142.4	82%	0.822	75%	0.752	S	S	*	*			trans	-105.5	-174.3	-154.6	-61.2	174.7	106.1	0	0	114.9
1765	R	31.1	Very low	28	Very low	235 Å²	235	142.2 Å²	142.2	89%	0.887	75%	0.746	S	S	*	*			trans	-68	160.9	179.3	-58.2	174.4	-178.6	157.2	-1.7	112.2
1766	P	27.7	Very low	28.2	Very low	120 Å²	120	138.9 Å²	138.9	78%	0.779	74%	0.74	S	S	*	*				-127.5	174.1	104.2	5.4	15.6	0	0	0	111.1
1767	S	27.2	Very low	28.2	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	74%	0.736	S	S	*	*			cis	166	150.6	-23.7	-87.1	0	0	0	0	105.1
1768	N	32.3	Very low	28.3	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	74%	0.741	S	S	*	*			trans	-73.2	165.2	-173.1	-146.9	2	0	0	0	112.7
1769	P	33.5	Very low	28.3	Very low	101 Å²	101	150.4 Å²	150.4	66%	0.656	75%	0.753	S	S	*	*				-148.3	132.5	109	34.2	-16.5	0	0	0	117.9
1770	H	27.8	Very low	28.3	Very low	161 Å²	161	148.6 Å²	148.6	75%	0.745	75%	0.745	S	S	*	*			trans	39.8	131.7	135.6	-52	-67.4	0	0	0	123.5
1771	L	27.9	Very low	28.3	Very low	147 Å²	147	151.8 Å²	151.8	77%	0.77	75%	0.748	S	S	*	*				174.9	104.3	102.2	-86.9	167.2	0	0	0	109.8
1772	R	26.9	Very low	28.4	Very low	226 Å²	226	150.1 Å²	150.1	85%	0.853	75%	0.749	S	S	*	*				84.4	98.1	99	-83.8	-169.3	-177.9	173.7	0.2	117.4
1773	E	30.3	Very low	28.7	Very low	173 Å²	173	150 Å²	150	81%	0.808	75%	0.748	S	S	*	*				9.5	158.7	116.1	-83.6	169.8	-151.5	0	0	120.4
1774	P	32.7	Very low	28.8	Very low	105 Å²	105	145.9 Å²	145.9	68%	0.682	74%	0.743	S	S	*	*			cis	-148.6	167.4	37.5	42.6	-23	0	0	0	120.5
1775	N	27.6	Very low	28.9	Very low	135 Å²	135	142 Å²	142	72%	0.722	74%	0.736	S	S	*	*			trans	46.6	159.3	137.4	-52.5	-10.8	0	0	0	121.3
1776	E	30	Very low	28.8	Very low	156 Å²	156	138.3 Å²	138.3	73%	0.729	73%	0.733	S	S	*	*			cis	-163.4	156.6	45.6	-86.1	-169.8	160.1	0	0	115.3
1777	F	26.1	Very low	28.7	Very low	145 Å²	145	138.8 Å²	138.8	64%	0.636	73%	0.728	S	S	*	*			trans	50.8	147.8	148.4	-67.9	-55.4	0	0	0	122
1778	F	28.5	Very low	28.7	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.732	73%	0.731	S	S	*	*			cis	-144.5	-166.8	-2.1	-85.8	-67.4	0	0	0	107.1
1779	E	25.6	Very low	28.8	Very low	128 Å²	128	141.2 Å²	141.2	60%	0.598	73%	0.731	S	S	*	*				-170.8	169.5	-66.9	-163	-166.8	-81.6	0	0	108.6
1780	Q	27.9	Very low	28.9	Very low	143 Å²	143	141.6 Å²	141.6	67%	0.668	74%	0.736	S	S	*	*			trans	71.5	143	164.8	-50.5	-175.3	11.3	0	0	117.6
1781	Q	26.9	Very low	29.5	Very low	168 Å²	168	139.4 Å²	139.4	79%	0.785	74%	0.736	S	S	*	*			cis	-156.6	162.4	-10.7	-115.9	169.1	34.2	0	0	110.4
1782	S	29.1	Very low	29.6	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	74%	0.736	S	S	*	*			trans	-139.5	166.8	167.4	71.9	0	0	0	0	108.7
1783	P	33.6	Very low	29.8	Very low	106 Å²	106	138.4 Å²	138.4	69%	0.688	74%	0.739	S	S	*	*				-164.6	171.4	90.3	41.1	-20	0	0	0	119.1
1784	S	28	Very low	30.5	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	73%	0.731	S	S	*	*			trans	59.6	161.9	138	69.1	0	0	0	0	122.6
1785	S	26.8	Very low	30.6	Very low	96 Å²	96	136 Å²	136	67%	0.671	74%	0.738	S	S	*	*			cis	-172.3	-169.4	-27.3	62.6	0	0	0	0	110
1786	L	29.2	Very low	30.8	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	74%	0.741	S	S	*	*			trans	96.6	154.9	174.1	-58.4	162.9	0	0	0	117.9
1787	L	25.6	Very low	30.8	Very low	129 Å²	129	137.1 Å²	137.1	68%	0.675	74%	0.742	S	S	*	*				-174	135	-81.3	-91.6	165.4	0	0	0	112.3
1788	F	27.4	Very low	31	Very low	187 Å²	187	135.1 Å²	135.1	82%	0.82	74%	0.742	S	S	*	*			trans	64.1	168.5	154.7	-72.9	-49.1	0	0	0	121.3
1789	P	33.2	Very low	31.1	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	73%	0.727	S	S	*	*			cis	-134.8	-172.5	-16.2	27.8	-3.9	0	0	0	117.1
1790	S	35.5	Very low	31.3	Very low	110 Å²	110	133 Å²	133	77%	0.769	74%	0.741	S	S	*	*			trans	-138.7	-164.1	166.9	65.5	0	0	0	0	108.8
1791	P	40.9	Very low	31.3	Very low	114 Å²	114	132.3 Å²	132.3	74%	0.74	74%	0.742	S	S	*	*			cis	-143.2	-137.2	10.9	44.7	-21.2	0	0	0	114
1792	S	30	Very low	31.4	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	74%	0.74	S	S	*	*			trans	100.2	153.1	153.1	80.2	0	0	0	0	120.2
1793	R	31.6	Very low	31.5	Very low	242 Å²	242	132.2 Å²	132.2	91%	0.913	74%	0.743	S	S	*	*			cis	-164.3	168.4	-47.5	-120	-150.7	165.1	-176.8	-3.4	111.4
1794	P	44.2	Very low	31.3	Very low	100 Å²	100	132.3 Å²	132.3	65%	0.649	75%	0.747	S	S	*	*			trans	-105.3	-169.4	-176.1	42.7	-36.9	0	0	0	114.9
1795	P	35.4	Very low	31.3	Very low	127 Å²	127	132.5 Å²	132.5	83%	0.825	75%	0.748	S	S	*	*				-149.9	-166.8	121.9	39.5	-20.7	0	0	0	117.8
1796	H	31.6	Very low	31.4	Very low	168 Å²	168	134.3 Å²	134.3	78%	0.778	76%	0.755	S	S	*	*			trans	-113.7	179.5	-163.3	-60.8	-107.1	0	0	0	116.3
1797	I	30.7	Very low	31.5	Very low	148 Å²	148	132 Å²	132	76%	0.759	75%	0.749	S	S	*	*				-176.3	176	120	-89.8	156.5	0	0	0	112.3
1798	T	29.4	Very low	31.5	Very low	102 Å²	102	131.8 Å²	131.8	63%	0.626	75%	0.753	S	S	*	*			trans	-159.2	168.9	-155.3	48.2	0	0	0	0	112.8
1799	S	30.1	Very low	31.5	Very low	62 Å²	62	129.6 Å²	129.6	43%	0.434	76%	0.755	S	S	.	*			cis	172	152.3	-21.2	61.1	0	0	0	0	109.6
1800	E	29.3	Very low	31.1	Very low	189 Å²	189	129.1 Å²	129.1	88%	0.883	75%	0.75	S	S	*	*			trans	-146	-166.3	-178.2	-135.3	168.9	-144.8	0	0	119.1
1801	N	29.6	Very low	30.7	Very low	128 Å²	128	134.2 Å²	134.2	68%	0.684	75%	0.754	S	S	*	*			trans	-119.6	148.2	-137.6	-82	-64.8	0	0	0	121.1
1802	I	28.5	Very low	29.8	Very low	147 Å²	147	133.3 Å²	133.3	75%	0.754	75%	0.75	S	S	*	*			trans	69.4	161.6	136.9	-67.9	170.7	0	0	0	118.5
1803	P	31.8	Very low	29.5	Very low	125 Å²	125	136.3 Å²	136.3	81%	0.812	75%	0.754	S	S	*	*			cis	-127	-165.5	-2.6	28	-2.4	0	0	0	117.8
1804	S	27.8	Very low	29.2	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	75%	0.75	S	S	*	*			trans	-111.6	161.3	-163.6	57.9	0	0	0	0	120.1
1805	S	29.3	Very low	28.4	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	78%	0.775	S	S	*	*			trans	-173.9	126.5	142.2	33.9	0	0	0	0	111.7
1806	V	28.2	Very low	28	Very low	135 Å²	135	135.5 Å²	135.5	82%	0.818	77%	0.772	S	S	*	*				85.2	135.7	67.3	161.3	0	0	0	0	113.4
1807	P	31.9	Very low	27.8	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	77%	0.772	S	S	*	*			cis	-141.5	162.5	-12.5	38.2	-18	0	0	0	119.7
1808	V	25.2	Very low	27.7	Very low	125 Å²	125	133 Å²	133	76%	0.758	77%	0.772	S	S	*	*			trans	32.5	129.5	133.1	-175	0	0	0	0	123.1
1809	T	27.8	Very low	27.6	Very low	142 Å²	142	134.8 Å²	134.8	87%	0.871	78%	0.781	S	S	*	*				-157.1	159.3	128.1	0.8	0	0	0	0	110.9
1810	T	25.4	Very low	27.4	Very low	111 Å²	111	139.4 Å²	139.4	68%	0.681	80%	0.803	S	S	*	*			trans	-156.4	126.8	-164.1	-43	0	0	0	0	114
1811	Y	26.2	Very low	27.3	Very low	216 Å²	216	136.1 Å²	136.1	85%	0.847	80%	0.797	S	S	*	*			trans	-150.9	125.6	158.9	-85.2	-71.9	0	0	0	108.2
1812	C	22.5	Very low	27.1	Very low	96 Å²	96	136.6 Å²	136.6	65%	0.649	81%	0.806	S	S	*	*				62	110	95.3	-64.2	0	0	0	0	113.6
1813	M	23.3	Very low	27	Very low	173 Å²	173	135.8 Å²	135.8	85%	0.852	81%	0.81	S	S	*	*				64.4	127	100.5	-67	-171.8	-179.1	0	0	112.7
1814	T	24.4	Very low	26.6	Very low	137 Å²	137	136.8 Å²	136.8	84%	0.84	81%	0.809	S	S	*	*			cis	-121.7	176.7	33.7	23.1	0	0	0	0	114.8
1815	P	27.9	Very low	26.5	Very low	179 Å²	179	139.4 Å²	139.4	100%	1.162	81%	0.814	S	S	*	*			trans	-89.7	0	-166.3	38.2	-36.7	0	0	0	115.4

Retrieved 1,815 of 1,815 residues in 291.5 ms (Link to these results)

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