A0A5K4F8Y3_SCHMA Loading...

Protein turtle

AlphaFold DB , UniProt , Accession A0A5K4F8Y3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,868 aa.

						>A0A5K4F8Y3_SCHMA|A0A5K4F8Y3
MRTIPLIVINYSFLIIFCSWNIKITLQNNQNNTIQQLDPINHPNRKSTIIIEASWDETDKNQTQVTVQAGESKIFICSIWTLESDDNHDSDSGIHETEQSVFLFCPMSVAYCAQDCLLVESTWLLQCTRQFRIVPNPELLWTSQLKNSKITKGWRLQEVIYKLDIATTASAGFWGCTYGGYRSNSLELIVRDRPALLSLTSSPPNPVKIGTNVKLTCEAAPSPKAPWYTFVWRRIGTQMPPAHSTLRISDTISILTLLSVQPSDDGLYSCHILQSQSNSLNEEVLEDGENVTSGSSNATEKLRFKKDPTVRRLHLEVFHPPTSLNITVKPHEPYRPQTNVTFTCHIHGGKPKPLIYFYRINAPLDNENISLIHSNSFTSKHILENITQTPESTELKWQLTEADNIASFGCAATSPVIKNQMFSLFIRVKIIFSPQDPILSSVPHGPVSENRTKVFTCQSSKGSNPRAKILWELTPAMEYLSAVSKRSYVNFSKSNEKETVMRPTTNSDFEYIMSDIYSDTKHDPNNGGYIAYSEVRLIGRPWFNGARVSCHLIWNEEGNYDVKHVSEATNHKIRYQKIAYLLTEVFFCPSAINLIAIPQNGIQETYGEQILECTATSSHPPAVITWFRHNSSDSVQKTYTENVIIESSLTKIDTKYQPNLKITAETFPGIYGGKRVVSRLKLSNISRISDGMLFTCMVKHIEWTESISRTHQLMVLYPPTLKLKIIPQTMEDRLKSNSITLICNAEGGQPKYFESETDFLDDIQYENKFSKSQGTSLNKDKHNMWKFYWKFRPQYPENWMQSTNQEILFNELNMYRSNKLILNYPGRKQAGDYTCLLEGSTSTAQVTSHLEFTFAPELAPPGITSVTAAVGSHTVIELHIWSYPVPSSIHNPKDTKIKHIVTENCNLHEINSEIPYEIKKQKKTYTWYKVTTERSESGVKILQKELVLENWEPHIRLKQVSSGINKRQLIWTDAILIDFPYYDTDIQIRQNDSESRSTLRKIPTIVYRLFLSPITEKDYGEYMCELEYVEGRKQFFMQVQPPGNPPINVRNMRFTHDDSRIRVYFDPLYFFKTSEGGSTVSEENKNHIIKTKSTLNIVTGNSLSSLPIKSDNSQQLQWKMLIRICASNYYRREQSSEDIIKECSSPQSTMKTLRKPNYRSWLDLYKSFPNNKYQTTSLSNECIDKLVENPEQGRIEIPLIYSFNNTLYNTSHLKSENKSNETVEINNLLSDDTTTDAAQGIYVHWSEKEKLTYQFRFYDESGSLVYATDWVDEENDGYYDESTFSIMGYRNTYLWIVIFGAFFFLLLVILFVFVMRKRLNNKNDFQATNNHSSTPLNKSIINSTTTSPIASCKLQENFYVANLSVVDSPCSLLGRNERVNNRQFPLLYNKDVQKFPNQKYLPIEKHSINQTLMKRNDYHRGEITDENSPATSMPKNLYELRYNQLGLSHNQFSGEALSDELQSISPETNSPIVSHLTPIPIIRSNEMAPSTPLLLYNSCCNNRKFSVGMNHYLPPLFGPIPIQYNSKSTNSVSELSSPFLGHGNHFRKTYRAPANICYHHHLQNGTTINDTRNTIYNKRNNQEDLTNQTICKYKMNQPKLNNTLDIKNDVANTLNCCSPPTEMNLLKVNDKCNTLETDSFGQYNSNHKPKNRSISLMNNLYPLNQTEFQSSQINSDRNNSNCNINNCYNMFNSDNDRYNNSHFISSDINNDLKNYDTNKLGLKIIPKNTYHSESNKLSSPLFEHRPNLFSTEGNHSRRTEGSAIMNTITDNEVSFMPSRHHEELPEMKMSTFNQNYNLTERLSPYDNTVFVSSTIKYNPISINHTNIDCGEMYINNNSLEENNFPLGINNNNDNNIKLCTINSKLEND
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.8	Very low	31.8	Very low	244 Å²	244	157.7 Å²	157.7	100%	1.202	79%	0.79	S	S	*	*				0	140.1	0	-64.2	170.4	168.6	0	0	107.2
2	R	32	Very low	31.9	Very low	223 Å²	223	152.3 Å²	152.3	84%	0.842	78%	0.779	S	S	*	*			cis	-161.1	147.9	-11	-127.9	-176.5	-175.5	176.4	1	106.7
3	T	31.3	Very low	31.7	Very low	112 Å²	112	154.9 Å²	154.9	69%	0.687	78%	0.781	S	S	*	*			trans	44.8	103.7	155.2	53	0	0	0	0	119.2
4	I	29.5	Very low	31.4	Very low	153 Å²	153	154.3 Å²	154.3	79%	0.785	78%	0.78	S	S	*	*				90	135.7	80.2	-82.5	169.3	0	0	0	113.4
5	P	47.5	Very low	31.3	Very low	105 Å²	105	153.9 Å²	153.9	68%	0.682	78%	0.779	S	S	*	*			cis	-93	-120.4	-9.5	13.3	10.2	0	0	0	109.2
6	L	31.2	Very low	31.4	Very low	147 Å²	147	153.2 Å²	153.2	77%	0.77	78%	0.776	S	S	*	*			cis	-164.9	160	-13.6	-157.8	134.8	0	0	0	106.9
7	I	31.7	Very low	31.4	Very low	138 Å²	138	155.5 Å²	155.5	71%	0.708	78%	0.78	S	S	*	*				-151.9	148.1	-61.9	-103.1	168.3	0	0	0	106.4
8	V	30.5	Very low	31.3	Very low	108 Å²	108	152.6 Å²	152.6	66%	0.655	78%	0.776	S	S	*	*			cis	-170.1	149.2	-27.5	79.1	0	0	0	0	110.2
9	I	30.5	Very low	31.3	Very low	147 Å²	147	150.4 Å²	150.4	75%	0.754	78%	0.776	S	S	*	*			trans	70.4	141.4	159.6	-77.1	155.6	0	0	0	117.4
10	N	31.4	Very low	31.1	Very low	144 Å²	144	154.9 Å²	154.9	77%	0.77	78%	0.782	S	S	*	*			cis	-143.6	-179.6	26	-147.3	-10	0	0	0	116.3
11	Y	25.7	Very low	31	Very low	214 Å²	214	155.4 Å²	155.4	84%	0.839	79%	0.787	S	S	*	*			trans	-118.4	161	-175	-94.2	-115.9	0	0	0	114.3
12	S	32.7	Very low	31	Very low	93 Å²	93	149.3 Å²	149.3	65%	0.65	76%	0.758	S	S	*	*				155.5	125.6	126.9	-70.4	0	0	0	0	118.4
13	F	29.8	Very low	30.7	Very low	186 Å²	186	148.7 Å²	148.7	82%	0.816	76%	0.762	S	S	*	*			trans	61.2	164.8	144.2	-55.7	-40	0	0	0	123.7
14	L	27.5	Very low	30.4	Very low	146 Å²	146	149.4 Å²	149.4	76%	0.764	76%	0.76	S	S	*	*			cis	-169	157.1	-45.8	-151.5	69.7	0	0	0	113.7
15	I	29.8	Very low	30.4	Very low	148 Å²	148	149 Å²	149	76%	0.759	76%	0.764	S	S	*	*			trans	65.4	129.6	164.3	-12.2	174.9	0	0	0	124.2
16	I	32.8	Very low	29.5	Very low	143 Å²	143	151.5 Å²	151.5	73%	0.733	77%	0.771	S	S	*	*			trans	116.6	102.9	146.9	-60.9	-173.2	0	0	0	116.2
17	F	31.2	Very low	29.3	Very low	192 Å²	192	153.2 Å²	153.2	84%	0.842	78%	0.775	S	S	*	*			trans	31	143.2	157	-68.4	-91.5	0	0	0	121.2
18	C	29.3	Very low	29.1	Very low	104 Å²	104	153.5 Å²	153.5	70%	0.703	78%	0.779	S	S	*	*			cis	-155.4	152	25.6	-146	0	0	0	0	113.9
19	S	31.8	Very low	28.9	Very low	111 Å²	111	155 Å²	155	78%	0.776	78%	0.783	S	S	*	*			trans	40.3	115.3	157.5	55.5	0	0	0	0	122.1
20	W	27.5	Very low	28.8	Very low	240 Å²	240	157 Å²	157	91%	0.909	79%	0.789	S	S	*	*			trans	-83.3	161.8	160.7	-86.5	-21.8	0	0	0	113.3
21	N	29.4	Very low	28.5	Very low	166 Å²	166	157.3 Å²	157.3	89%	0.888	79%	0.791	S	S	*	*			trans	-146.2	155.6	146.1	-137.7	-23.4	0	0	0	111
22	I	28.2	Very low	28.7	Very low	115 Å²	115	153.9 Å²	153.9	59%	0.59	79%	0.787	S	S	*	*			trans	-129.4	139.8	-164.6	-63.9	169.6	0	0	0	111.5	I24	I22-I24 HydrophobicContact CG2-CD1 4.1Å; I22-I24 HydrophobicContact CG2-CG1 4Å
23	K	26	Very low	28.2	Very low	211 Å²	211	155.1 Å²	155.1	92%	0.917	79%	0.791	S	S	*	*			trans	-146.9	145.4	141.8	-133.8	170.7	-174.5	177.8	0	113.3
24	I	25.4	Very low	28	Very low	126 Å²	126	153.9 Å²	153.9	65%	0.646	79%	0.791	S	S	*	*			trans	-122.8	142.2	-172.3	-61.7	158	0	0	0	107.8	I22 L26	I22-I24 HydrophobicContact CG2-CD1 4.1Å; I22-I24 HydrophobicContact CG2-CG1 4Å; I24-L26 HydrophobicContact CG2-CD1 4.2Å
25	T	29.3	Very low	27.8	Very low	144 Å²	144	155.7 Å²	155.7	88%	0.883	80%	0.796	S	S	*	*			trans	-153.9	135.8	149.7	14.4	0	0	0	0	109.2
26	L	27.5	Very low	27.5	Very low	158 Å²	158	155.2 Å²	155.2	83%	0.827	79%	0.79	S	S	*	*			trans	-78	143.1	-176.9	-87.9	76	0	0	0	112.1	I24	I24-L26 HydrophobicContact CG2-CD1 4.2Å
27	Q	27.2	Very low	27.1	Very low	183 Å²	183	156.2 Å²	156.2	86%	0.855	80%	0.796	S	S	*	*			trans	-82.2	131.8	156.7	-170.8	177.1	17.6	0	0	108.3
28	N	27.4	Very low	26.8	Very low	145 Å²	145	153 Å²	153	78%	0.775	79%	0.788	S	S	*	*			trans	-134.5	131.9	174.3	-166.1	22.8	0	0	0	110.3
29	N	27.2	Very low	27.1	Very low	139 Å²	139	152.5 Å²	152.5	74%	0.743	78%	0.783	S	S	*	*			trans	-91.7	130.1	-179.1	-81.9	-21.7	0	0	0	110.8
30	Q	28.4	Very low	26.8	Very low	189 Å²	189	154.3 Å²	154.3	88%	0.883	78%	0.782	S	S	*	*			trans	-132.8	139.1	155.5	-73.5	-165.8	-65	0	0	110.1
31	N	25.4	Very low	26.8	Very low	150 Å²	150	149.9 Å²	149.9	80%	0.802	78%	0.776	S	S	*	*			trans	-105.5	139.6	-177.7	-90.9	-24.3	0	0	0	111.2
32	N	29.3	Very low	27	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	77%	0.774	S	S	*	*			trans	65.1	161.2	154.4	-67.9	-13.5	0	0	0	119.1
33	T	21	Very low	27	Very low	118 Å²	118	150.1 Å²	150.1	72%	0.724	78%	0.779	S	S	*	*			trans	64.4	128.5	-172.6	53.3	0	0	0	0	113	Q35	T33-Q35 VanDerWaalsContact C-N 3.32Å
34	I	26	Very low	27.4	Very low	161 Å²	161	147 Å²	147	83%	0.826	77%	0.772	S	S	*	*				50.6	52.1	60.1	-43.5	176.6	0	0	0	110.5	Q36	I34-Q36 VanDerWaalsContact C-N 3.35Å
35	Q	23.5	Very low	27.9	Very low	184 Å²	184	151.8 Å²	151.8	86%	0.86	78%	0.782	S	S	*	*			trans	-89.1	86.9	142.6	-74.1	-169.4	-24.6	0	0	107.9	T33	T33-Q35 VanDerWaalsContact C-N 3.32Å
36	Q	23.3	Very low	28.7	Very low	137 Å²	137	153.5 Å²	153.5	64%	0.64	78%	0.777	S	S	*	*				19.9	112	126	-175.5	167.3	-23	0	0	115	I34 D38	I34-Q36 VanDerWaalsContact C-N 3.35Å; Q36-D38 VanDerWaalsContact C-N 3.31Å; Q36-D38 PolarHBondContact NE2-OD1 3.45Å; Q36-D38 PolarHBondContact O-N 3.41Å
37	L	24.1	Very low	29.8	Very low	165 Å²	165	149.3 Å²	149.3	86%	0.864	76%	0.761	S	S	*	*			trans	-59.5	105.1	143.9	-94.1	73.9	0	0	0	106.1
38	D	24.5	Very low	31.5	Very low	125 Å²	125	143.4 Å²	143.4	67%	0.668	74%	0.738	S	S	*	*			trans	-70	125.3	144.4	-86.1	-28.5	0	0	0	106.4	Q36	Q36-D38 VanDerWaalsContact C-N 3.31Å; Q36-D38 PolarHBondContact NE2-OD1 3.45Å; Q36-D38 PolarHBondContact O-N 3.41Å
39	P	36.1	Very low	33.6	Very low	93 Å²	93	137.7 Å²	137.7	60%	0.604	71%	0.707	S	S	*	*			trans	-77.3	-176	-172.5	33.8	-37.5	0	0	0	111.3
40	I	25.2	Very low	36	Very low	148 Å²	148	134 Å²	134	76%	0.759	69%	0.686	S	S	*	*			trans	81.1	115.6	175.8	-49.5	155.2	0	0	0	110.8
41	N	28.1	Very low	38.5	Very low	147 Å²	147	125.8 Å²	125.8	79%	0.786	65%	0.649	S	S	*	*			cis	-120.9	142.7	22.7	-77.3	-74.3	0	0	0	114.2
42	H	32.7	Very low	41.3	Very low	179 Å²	179	121.1 Å²	121.1	83%	0.829	62%	0.622	S	S	*	*			trans	-64.1	145.8	148.2	-74.1	-49.2	0	0	0	108.9
43	P	30.1	Very low	43.9	Very low	107 Å²	107	114.4 Å²	114.4	70%	0.695	59%	0.586	S	S	*	*				-138.3	136.6	94	35.4	-22.7	0	0	0	115
44	N	32.5	Very low	46.9	Very low	145 Å²	145	108.9 Å²	108.9	78%	0.775	55%	0.552	S	S	*	*			trans	54	77.3	130.5	-51.9	-10.1	0	0	0	118.6
45	R	37.4	Very low	49.5	Very low	227 Å²	227	101.3 Å²	101.3	86%	0.857	51%	0.513	S	S	*	.				-159.4	143.7	108.7	-103	161.6	-174.2	-169.3	0	109.9	S47	R45-S47 PolarHBondContact O-N 2.76Å; R45-S47 VanDerWaalsContact O-N 3.15Å
46	K	45.6	Very low	51.7	Low	181 Å²	181	93.1 Å²	93.1	79%	0.787	48%	0.476	S	S	*	.			trans	-65	107.5	154.2	-67.4	178.2	-178.8	176.9	0	104.8	T48	K46-T48 VanDerWaalsContact C-N 3.34Å; K46-T48 HydrophobicContact CB-CG2 4.44Å; K46-T48 PolarHBondContact O-N 3.23Å
47	S	49.9	Very low	53.4	Low	69 Å²	69	91.9 Å²	91.9	48%	0.483	47%	0.47	S	S	.	.			trans	-73.5	92.5	176.1	52.2	0	0	0	0	108.3	R45 I49	R45-S47 PolarHBondContact O-N 2.76Å; R45-S47 VanDerWaalsContact O-N 3.15Å; S47-I49 PolarHBondContact O-N 3.35Å; S47-I49 VanDerWaalsContact O-N 3.14Å
48	T	64.5	Low	54.9	Low	60 Å²	60	88.2 Å²	88.2	37%	0.368	45%	0.454	S	S	.	.			trans	-75.9	10.6	-175.5	51	0	0	0	0	113.3	K46 T81 L82	K46-T48 VanDerWaalsContact C-N 3.34Å; K46-T48 HydrophobicContact CB-CG2 4.44Å; K46-T48 PolarHBondContact O-N 3.23Å; T48-T81 CarbonylContact O-C 3.41Å; T48-T81 WeakPolarHBondContact O-CA 3.25Å; T48-L82 HydrophobicContact CG2-CB 4.11Å; T48-L82 HydrophobicContact CG2-CD2 4.24Å; T48-L82 PolarHBondContact O-N 2.82Å
49	I	70.4	Confident	56.5	Low	25 Å²	25	83.9 Å²	83.9	13%	0.128	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	138.8	-173.9	-52	-178.6	0	0	0	110.1	S47 I79 W80 T81 Y178 Y181	S47-I49 PolarHBondContact O-N 3.35Å; S47-I49 VanDerWaalsContact O-N 3.14Å; I49-I79 HydrophobicContact CG2-CG2 4.26Å; I49-W80 CarbonylContact C-O 3.47Å; I49-W80 VanDerWaalsContact CA-O 3.25Å; I49-W80 WeakPolarHBondContact CA-O 3.36Å; I49-T81 HydrophobicContact CG1-CG2 4.3Å; I49-Y178 HydrophobicContact CD1-CD1 4.47Å; I49-Y178 HydrophobicContact CD1-CE1 4.09Å; I49-Y178 HydrophobicContact CG2-CD1 3.89Å; I49-Y178 HydrophobicContact CG2-CE1 4.14Å; I49-Y181 HydrophobicContact CB-CD2 3.84Å; I49-Y181 HydrophobicContact CB-CE2 3.8Å; I49-Y181 HydrophobicContact CB-CG 4.42Å; I49-Y181 HydrophobicContact CD1-CD2 4.25Å; I49-Y181 HydrophobicContact CD1-CE2 4.01Å; I49-Y181 HydrophobicContact CG1-CE2 4.23Å; I49-Y181 HydrophobicContact CG2-CD2 3.91Å; I49-Y181 HydrophobicContact CG2-CE2 4.38Å; I49-Y181 HydrophobicContact CG2-CG 4.35Å
50	I	78.2	Confident	57.6	Low	60 Å²	60	82.4 Å²	82.4	31%	0.308	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.6	172.2	-53.3	175.8	0	0	0	108.6	I79 W80 L145 W154	I50-I79 CarbonylContact O-C 3.47Å; I50-I79 WeakPolarHBondContact O-CA 3.44Å; I50-W80 HydrophobicContact CB-CB 4.26Å; I50-W80 PolarHBondContact N-O 2.84Å; I50-W80 PolarHBondContact O-N 2.86Å; I50-L145 HydrophobicContact CD1-CD2 3.98Å; I50-W154 HydrophobicContact CD1-CH2 3.76Å; I50-W154 HydrophobicContact CD1-CZ2 4.32Å; I50-W154 HydrophobicContact CD1-CZ3 4.08Å; I50-W154 HydrophobicContact CG1-CH2 4.02Å; I50-W154 HydrophobicContact CG1-CZ3 4.09Å
51	I	81	Confident	59.1	Low	18 Å²	18	82.7 Å²	82.7	9%	0.092	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139	178.7	-45.6	175.9	0	0	0	111.7	S78 I79 Y181	I51-S78 CarbonylContact C-O 3.41Å; I51-S78 WeakPolarHBondContact CA-O 3.03Å; I51-I79 HydrophobicContact CG1-CG1 4.31Å; I51-I79 HydrophobicContact CG2-CG1 4.11Å; I51-Y181 WeakPolarHBondContact CD1-O 3.22Å
52	E	84	Confident	60.9	Low	52 Å²	52	80.7 Å²	80.7	24%	0.243	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.5	177.1	-173.5	171.2	-142.1	0	0	109.5	S78 T142	E52-S78 PolarHBondContact N-O 2.77Å; E52-S78 PolarHBondContact O-N 3.16Å; E52-T142 PolarHBondContact OE1-OG1 2.95Å
53	A	83.9	Confident	62.7	Low	1 Å²	1	77 Å²	77	1%	0.008	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.4	177.9	0	0	0	0	0	112	F75 I76 S183 N184 L186	A53-F75 HydrophobicContact CB-CE1 4.28Å; A53-F75 HydrophobicContact CB-CE2 4.42Å; A53-F75 HydrophobicContact CB-CZ 3.7Å; A53-I76 WeakPolarHBondContact CA-O 3.41Å; A53-S183 WeakPolarHBondContact CB-OG 3.26Å; A53-N184 PolarHBondContact N-OD1 3.14Å; A53-N184 PolarHBondContact O-ND2 2.74Å; A53-L186 HydrophobicContact CB-CD1 4.48Å
54	S	84.7	Confident	65	Low	3 Å²	3	76.3 Å²	76.3	2%	0.021	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.7	-176.4	47.7	0	0	0	0	113	I76	S54-I76 PolarHBondContact N-O 3.13Å; S54-I76 PolarHBondContact O-N 2.91Å
55	W	80.1	Confident	67.1	Low	2 Å²	2	70 Å²	70	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131	161.8	-66.4	100	0	0	0	109.9	D59 V65 K73 I74 F75 W174 L186 L188 A1238	W55-D59 CarbonylContact O-C 3.54Å; W55-D59 WeakPolarHBondContact O-CA 3.44Å; W55-D59 VanDerWaalsContact O-CB 3.29Å; W55-D59 WeakPolarHBondContact O-CB 3.28Å; W55-D59 PolarHBondContact O-N 3.44Å; W55-V65 HydrophobicContact CB-CG2 3.88Å; W55-V65 HydrophobicContact CD2-CG2 4.36Å; W55-V65 HydrophobicContact CG-CB 4.49Å; W55-V65 HydrophobicContact CG-CG2 3.75Å; W55-K73 HydrophobicContact CB-CG 4.05Å; W55-K73 HydrophobicContact CD2-CG 4.25Å; W55-K73 HydrophobicContact CE3-CB 3.83Å; W55-K73 HydrophobicContact CE3-CG 3.72Å; W55-K73 HydrophobicContact CG-CG 4.4Å; W55-K73 HydrophobicContact CZ3-CB 4.29Å; W55-I74 CarbonylContact C-O 3.53Å; W55-I74 WeakPolarHBondContact CA-O 3.31Å; W55-I74 WeakPolarHBondContact CB-O 3.41Å; W55-F75 HydrophobicContact CD2-CD2 4.17Å; W55-F75 HydrophobicContact CE3-CB 4.1Å; W55-F75 HydrophobicContact CE3-CD2 4.38Å; W55-F75 HydrophobicContact CH2-CB 4.45Å; W55-F75 HydrophobicContact CH2-CD2 4.16Å; W55-F75 HydrophobicContact CZ2-CD2 4.01Å; W55-F75 HydrophobicContact CZ3-CB 3.99Å; W55-F75 HydrophobicContact CZ3-CD2 4.37Å; W55-W174 HydrophobicContact CH2-CB 4.33Å; W55-W174 AromaticContact CH2-CD1 3.93Å; W55-W174 AromaticContact CH2-CD2 3.61Å; W55-W174 HydrophobicContact CH2-CD2 3.61Å; W55-W174 AromaticContact CH2-CE2 3.86Å; W55-W174 HydrophobicContact CH2-CE3 4Å; W55-W174 AromaticContact CH2-CG 3.74Å; W55-W174 HydrophobicContact CH2-CG 3.74Å; W55-W174 HydrophobicContact CH2-CZ2 4.5Å; W55-W174 HydrophobicContact CZ2-CB 3.79Å; W55-W174 AromaticContact CZ2-CD1 3.61Å; W55-W174 AromaticContact CZ2-CD2 3.94Å; W55-W174 HydrophobicContact CZ2-CD2 3.94Å; W55-W174 AromaticContact CZ2-CG 3.52Å; W55-W174 HydrophobicContact CZ2-CG 3.52Å; W55-L186 HydrophobicContact CG-CD1 4.29Å; W55-L188 HydrophobicContact CH2-CB 4.11Å; W55-L188 HydrophobicContact CH2-CD2 3.83Å; W55-L188 HydrophobicContact CH2-CG 4.42Å; W55-L188 HydrophobicContact CZ2-CB 3.85Å; W55-L188 HydrophobicContact CZ2-CD2 4.44Å; W55-L188 HydrophobicContact CZ3-CD2 4.32Å; W55-A1238 HydrophobicContact CZ3-CB 3.98Å
56	D	69.3	Low	69	Low	12 Å²	12	62.3 Å²	62.3	6%	0.064	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	171.6	-173.9	-110.6	-58.7	0	0	0	116	K73 I74 I1241	D56-K73 WeakPolarHBondContact OD2-CD 3.5Å; D56-K73 WeakPolarHBondContact OD2-CE 3.27Å; D56-K73 IonicContact OD2-NZ 2.79Å; D56-K73 PolarHBondContact OD2-NZ 3.11Å; D56-I74 PolarHBondContact N-O 2.96Å; D56-I1241 WeakPolarHBondContact OD2-CG1 3.39Å
57	E	59.4	Low	70.3	Confident	110 Å²	110	54.2 Å²	54.2	51%	0.514	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.2	163.9	-76.8	-169.1	168.2	0	0	111.7	I76 R132	E57-I76 HydrophobicContact CG-CD1 3.86Å; E57-R132 IonicContact OE1-CZ 3.84Å; E57-R132 IonicContact OE1-NH1 2.71Å; E57-R132 PolarHBondContact OE1-NH1 3.39Å; E57-R132 IonicContact OE1-NH2 3.05Å; E57-R132 PolarHBondContact OE1-NH2 3.11Å
58	T	55.7	Low	71.2	Confident	89 Å²	89	54.6 Å²	54.6	55%	0.546	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-35.3	-175.5	59.1	0	0	0	0	114.8	K60 I1241	T58-K60 PolarHBondContact O-N 3.46Å; T58-I1241 HydrophobicContact CG2-CD1 3.61Å
59	D	58.8	Low	71.2	Confident	33 Å²	33	52.7 Å²	52.7	18%	0.176	28%	0.277	C	S	.	.			trans	-103.4	27.5	-164.4	-48	-17	0	0	0	112	W55 N61 Q62 K73	W55-D59 CarbonylContact O-C 3.54Å; W55-D59 WeakPolarHBondContact O-CA 3.44Å; W55-D59 VanDerWaalsContact O-CB 3.29Å; W55-D59 WeakPolarHBondContact O-CB 3.28Å; W55-D59 PolarHBondContact O-N 3.44Å; D59-N61 PolarHBondContact O-N 3.19Å; D59-Q62 HydrophobicContact CB-CB 4.29Å; D59-Q62 HydrophobicContact CB-CG 4.28Å; D59-Q62 PolarHBondContact O-N 3.23Å; D59-K73 IonicContact OD1-NZ 3.63Å; D59-K73 WeakPolarHBondContact OD2-CE 3.49Å; D59-K73 IonicContact OD2-NZ 2.95Å; D59-K73 PolarHBondContact OD2-NZ 2.84Å
60	K	58.1	Low	70.7	Confident	62 Å²	62	53.6 Å²	53.6	27%	0.27	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-15	-175.8	-61.1	-148.8	171.1	-161	0	116	T58 E158	T58-K60 PolarHBondContact O-N 3.46Å; K60-E158 IonicContact NZ-OE1 2.65Å; K60-E158 PolarHBondContact NZ-OE1 2.77Å
61	N	57.7	Low	70.2	Confident	155 Å²	155	53 Å²	53	83%	0.829	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	1.7	176	-68.1	-25.3	0	0	0	114.5	D59	D59-N61 PolarHBondContact O-N 3.19Å
62	Q	64.7	Low	69.8	Low	104 Å²	104	53.5 Å²	53.5	49%	0.486	29%	0.294	S	S	.	.			trans	-102	131.1	-177.3	-61.7	-168.7	19.7	0	0	112.4	D59	D59-Q62 HydrophobicContact CB-CB 4.29Å; D59-Q62 HydrophobicContact CB-CG 4.28Å; D59-Q62 PolarHBondContact O-N 3.23Å
63	T	70.8	Confident	69.6	Low	101 Å²	101	52.3 Å²	52.3	62%	0.62	29%	0.288	S	S	*	.	S	Bend	trans	-92.5	1.3	179.7	57.7	0	0	0	0	114.3	L186 E187	T63-L186 HydrophobicContact CG2-CD2 4.47Å; T63-E187 PolarHBondContact O-N 3.39Å
64	Q	77.4	Confident	69.5	Low	93 Å²	93	53.9 Å²	53.9	44%	0.435	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	141.1	-176.3	-175.9	-178	87.2	0	0	111.5	E187 I189	Q64-E187 CarbonylContact C-O 3.52Å; Q64-E187 VanDerWaalsContact CA-O 3.27Å; Q64-E187 WeakPolarHBondContact CA-O 3.19Å; Q64-E187 HydrophobicContact CB-CB 4.27Å; Q64-E187 HydrophobicContact CG-CB 4.12Å; Q64-E187 HydrophobicContact CG-CG 4.47Å; Q64-E187 PolarHBondContact NE2-OE2 3.38Å; Q64-I189 HydrophobicContact CG-CD1 3.91Å; Q64-I189 HydrophobicContact CG-CG1 4.45Å
65	V	78.3	Confident	69.5	Low	13 Å²	13	53.7 Å²	53.7	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.8	-178.5	160.5	0	0	0	0	110.9	W55 V67 K73 E187 L188 I189	W55-V65 HydrophobicContact CB-CG2 3.88Å; W55-V65 HydrophobicContact CD2-CG2 4.36Å; W55-V65 HydrophobicContact CG-CB 4.49Å; W55-V65 HydrophobicContact CG-CG2 3.75Å; V65-V67 HydrophobicContact CG1-CG1 4.3Å; V65-K73 HydrophobicContact CG1-CB 3.7Å; V65-K73 HydrophobicContact CG1-CD 4.26Å; V65-K73 HydrophobicContact CG1-CG 3.66Å; V65-K73 HydrophobicContact CG2-CG 4.19Å; V65-E187 PolarHBondContact N-O 2.83Å; V65-L188 HydrophobicContact CB-CD1 4.22Å; V65-L188 HydrophobicContact CG1-CD1 3.65Å; V65-I189 PolarHBondContact O-N 2.94Å
66	T	76.6	Confident	69.6	Low	65 Å²	65	53.7 Å²	53.7	40%	0.399	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.3	174.7	-58.7	0	0	0	0	113	I189 R191	T66-I189 CarbonylContact C-O 3.59Å; T66-I189 VanDerWaalsContact CA-O 3.3Å; T66-I189 WeakPolarHBondContact CA-O 3.39Å; T66-I189 HydrophobicContact CG2-CB 4.26Å; T66-I189 HydrophobicContact CG2-CG2 4.16Å; T66-R191 HydrophobicContact CG2-CG 4.18Å
67	V	73.7	Confident	70.4	Confident	12 Å²	12	53.1 Å²	53.1	7%	0.073	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	170	179.5	-57	0	0	0	0	112	V65 E71 S72 K73 A166 L188 I189 V190 R191	V65-V67 HydrophobicContact CG1-CG1 4.3Å; V67-E71 HydrophobicContact CB-CB 4.45Å; V67-S72 VanDerWaalsContact CG1-O 3.28Å; V67-S72 WeakPolarHBondContact CG1-O 3.43Å; V67-K73 HydrophobicContact CG1-CB 4.3Å; V67-A166 HydrophobicContact CG2-CB 3.79Å; V67-L188 HydrophobicContact CG1-CD1 4.24Å; V67-L188 HydrophobicContact CG2-CD1 4.14Å; V67-I189 PolarHBondContact N-O 2.85Å; V67-V190 HydrophobicContact CG2-CB 4.39Å; V67-V190 HydrophobicContact CG2-CG1 4.31Å; V67-V190 HydrophobicContact CG2-CG2 3.81Å; V67-V190 CarbonylContact O-C 3.52Å; V67-V190 WeakPolarHBondContact O-CA 3.47Å; V67-R191 PolarHBondContact O-N 3.23Å
68	Q	67.9	Low	71.6	Confident	76 Å²	76	48 Å²	48	36%	0.355	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	158.6	166.2	-53.7	-170.9	14.3	0	0	112.8	G70 E71 R191	Q68-G70 PolarHBondContact O-N 2.75Å; Q68-E71 HydrophobicContact CB-CG 4.06Å; Q68-E71 VanDerWaalsContact CB-OE2 3.23Å; Q68-E71 WeakPolarHBondContact CB-OE2 3.29Å; Q68-E71 WeakPolarHBondContact CG-OE2 3.36Å; Q68-E71 PolarHBondContact N-OE2 2.95Å; Q68-E71 WeakPolarHBondContact O-CB 3.49Å; Q68-E71 PolarHBondContact O-N 3.29Å; Q68-R191 CarbonylContact C-O 3.55Å
69	A	64.4	Low	72.9	Confident	20 Å²	20	43.8 Å²	43.8	17%	0.165	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	120.1	169.6	0	0	0	0	0	109.4	A166 V190 R191	A69-A166 WeakPolarHBondContact CA-O 3.1Å; A69-V190 HydrophobicContact CB-CG1 4.11Å; A69-R191 WeakPolarHBondContact CB-O 3.27Å; A69-R191 PolarHBondContact N-O 2.95Å
70	G	60.8	Low	73.9	Confident	45 Å²	45	42.7 Å²	42.7	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	-1.9	-167.9	0	0	0	0	0	115.7	Q68 A166	Q68-G70 PolarHBondContact O-N 2.75Å; G70-A166 PolarHBondContact N-O 3.25Å
71	E	66.2	Low	74.7	Confident	47 Å²	47	41.6 Å²	41.6	22%	0.22	23%	0.234	C	C	.	.			trans	-120.4	-147.6	-172.5	-56.6	-172	138.5	0	0	114.9	V67 Q68 A166 Q1239	V67-E71 HydrophobicContact CB-CB 4.45Å; Q68-E71 HydrophobicContact CB-CG 4.06Å; Q68-E71 VanDerWaalsContact CB-OE2 3.23Å; Q68-E71 WeakPolarHBondContact CB-OE2 3.29Å; Q68-E71 WeakPolarHBondContact CG-OE2 3.36Å; Q68-E71 PolarHBondContact N-OE2 2.95Å; Q68-E71 WeakPolarHBondContact O-CB 3.49Å; Q68-E71 PolarHBondContact O-N 3.29Å; E71-A166 VanDerWaalsContact O-CB 3.23Å; E71-A166 WeakPolarHBondContact O-CB 3.25Å; E71-A166 PolarHBondContact O-N 3.14Å; E71-Q1239 PolarHBondContact O-NE2 3.03Å
72	S	72.6	Confident	75.2	Confident	28 Å²	28	36.7 Å²	36.7	20%	0.196	21%	0.208	C	C	.	.			trans	-161.1	143.2	-150.9	60.1	0	0	0	0	120.6	V67 Q1239	V67-S72 VanDerWaalsContact CG1-O 3.28Å; V67-S72 WeakPolarHBondContact CG1-O 3.43Å; S72-Q1239 CarbonylContact C-O 3.55Å; S72-Q1239 VanDerWaalsContact C-O 3.3Å; S72-Q1239 WeakPolarHBondContact CB-O 3.46Å
73	K	81	Confident	75	Confident	28 Å²	28	36.4 Å²	36.4	12%	0.122	21%	0.206	C	C	.	.			trans	-150.1	142.3	156.2	-167.3	67.9	171.1	165.4	0	112.8	W55 D56 D59 V65 V67 A1238 Q1239	W55-K73 HydrophobicContact CB-CG 4.05Å; W55-K73 HydrophobicContact CD2-CG 4.25Å; W55-K73 HydrophobicContact CE3-CB 3.83Å; W55-K73 HydrophobicContact CE3-CG 3.72Å; W55-K73 HydrophobicContact CG-CG 4.4Å; W55-K73 HydrophobicContact CZ3-CB 4.29Å; D56-K73 WeakPolarHBondContact OD2-CD 3.5Å; D56-K73 WeakPolarHBondContact OD2-CE 3.27Å; D56-K73 IonicContact OD2-NZ 2.79Å; D56-K73 PolarHBondContact OD2-NZ 3.11Å; D59-K73 IonicContact OD1-NZ 3.63Å; D59-K73 WeakPolarHBondContact OD2-CE 3.49Å; D59-K73 IonicContact OD2-NZ 2.95Å; D59-K73 PolarHBondContact OD2-NZ 2.84Å; V65-K73 HydrophobicContact CG1-CB 3.7Å; V65-K73 HydrophobicContact CG1-CD 4.26Å; V65-K73 HydrophobicContact CG1-CG 3.66Å; V65-K73 HydrophobicContact CG2-CG 4.19Å; V67-K73 HydrophobicContact CG1-CB 4.3Å; K73-A1238 CarbonylContact O-C 3.36Å; K73-A1238 WeakPolarHBondContact O-CA 3.37Å; K73-A1238 VanDerWaalsContact O-CB 3.24Å; K73-A1238 WeakPolarHBondContact O-CB 3.43Å; K73-Q1239 VanDerWaalsContact C-C 3.44Å; K73-Q1239 VanDerWaalsContact C-N 3.33Å; K73-Q1239 CarbonylContact C-O 3.6Å; K73-Q1239 WeakPolarHBondContact CA-O 3.28Å; K73-Q1239 PolarHBondContact N-O 3.31Å; K73-Q1239 PolarHBondContact O-N 2.81Å
74	I	82.2	Confident	74.2	Confident	33 Å²	33	36.5 Å²	36.5	17%	0.169	21%	0.211	C	C	.	.			trans	-74.8	146.9	176.6	-95	163.4	0	0	0	113.8	W55 D56 I76 I160 A1238 Q1239	W55-I74 CarbonylContact C-O 3.53Å; W55-I74 WeakPolarHBondContact CA-O 3.31Å; W55-I74 WeakPolarHBondContact CB-O 3.41Å; D56-I74 PolarHBondContact N-O 2.96Å; I74-I76 HydrophobicContact CG2-CD1 3.96Å; I74-I76 HydrophobicContact CG2-CG1 3.58Å; I74-I160 HydrophobicContact CG2-CG2 4.48Å; I74-A1238 WeakPolarHBondContact CA-O 3.41Å; I74-A1238 WeakPolarHBondContact CG1-O 3.35Å; I74-Q1239 VanDerWaalsContact N-C 3.35Å; I74-Q1239 PolarHBondContact N-O 2.89Å
75	F	83.5	Confident	72.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	172.2	-172.8	-79.8	0	0	0	109.7	A53 W55 C77 L103 Y161 W174 L186 A1238	A53-F75 HydrophobicContact CB-CE1 4.28Å; A53-F75 HydrophobicContact CB-CE2 4.42Å; A53-F75 HydrophobicContact CB-CZ 3.7Å; W55-F75 HydrophobicContact CD2-CD2 4.17Å; W55-F75 HydrophobicContact CE3-CB 4.1Å; W55-F75 HydrophobicContact CE3-CD2 4.38Å; W55-F75 HydrophobicContact CH2-CB 4.45Å; W55-F75 HydrophobicContact CH2-CD2 4.16Å; W55-F75 HydrophobicContact CZ2-CD2 4.01Å; W55-F75 HydrophobicContact CZ3-CB 3.99Å; W55-F75 HydrophobicContact CZ3-CD2 4.37Å; F75-C77 HydrophobicContact CE1-CB 4.49Å; F75-L103 HydrophobicContact CD1-CD1 3.8Å; F75-L103 HydrophobicContact CD1-CD2 4.24Å; F75-L103 HydrophobicContact CE1-CD1 3.34Å; F75-L103 HydrophobicContact CE2-CD1 4.34Å; F75-L103 HydrophobicContact CG-CD1 4.49Å; F75-L103 HydrophobicContact CZ-CD1 3.64Å; F75-Y161 HydrophobicContact CD1-CD2 4.1Å; F75-Y161 PolarHBondContact O-N 3.4Å; F75-W174 HydrophobicContact CD2-CB 3.94Å; F75-W174 HydrophobicContact CE2-CB 3.61Å; F75-W174 HydrophobicContact CZ-CB 4.45Å; F75-L186 HydrophobicContact CD2-CD1 4.43Å; F75-L186 HydrophobicContact CE2-CD1 3.93Å; F75-A1238 HydrophobicContact CB-CB 3.34Å
76	I	83.4	Confident	71.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.4	-177.2	-49.8	179.9	0	0	0	109.1	A53 S54 E57 I74 E158 V159 I160	A53-I76 WeakPolarHBondContact CA-O 3.41Å; S54-I76 PolarHBondContact N-O 3.13Å; S54-I76 PolarHBondContact O-N 2.91Å; E57-I76 HydrophobicContact CG-CD1 3.86Å; I74-I76 HydrophobicContact CG2-CD1 3.96Å; I74-I76 HydrophobicContact CG2-CG1 3.58Å; I76-E158 HydrophobicContact CG2-CB 4.14Å; I76-V159 WeakPolarHBondContact CA-O 3.12Å; I76-I160 HydrophobicContact CG1-CG1 4.3Å; I76-I160 HydrophobicContact CG1-CG2 4.49Å; I76-I160 HydrophobicContact CG2-CG1 4.2Å
77	C	84.9	Confident	69.2	Low	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.5	172	-176.1	0	0	0	0	109.3	F75 V101 E158 V159 Y161 C176	F75-C77 HydrophobicContact CE1-CB 4.49Å; C77-V101 HydrophobicContact CB-CG1 4.31Å; C77-E158 CarbonylContact O-C 3.43Å; C77-E158 VanDerWaalsContact O-CA 3.3Å; C77-E158 WeakPolarHBondContact O-CA 3.2Å; C77-V159 HydrophobicContact CB-CB 4.42Å; C77-V159 PolarHBondContact N-O 3.17Å; C77-V159 PolarHBondContact O-N 3.5Å; C77-Y161 HydrophobicContact CB-CE2 4.23Å; C77-C176 HydrophobicContact CB-CB 3.77Å; C77-C176 WeakPolarHBondContact CB-SG 3.1Å; C77-C176 WeakPolarHBondContact SG-CB 3.45Å; C77-C176 CovalentContact SG-SG 2.03Å; C77-C176 PolarHBondContact SG-SG 2.74Å
78	S	84.5	Confident	67.6	Low	2 Å²	2	59.5 Å²	59.5	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.4	-174.9	-56.9	0	0	0	0	110.5	I51 E52 E158	I51-S78 CarbonylContact C-O 3.41Å; I51-S78 WeakPolarHBondContact CA-O 3.03Å; E52-S78 PolarHBondContact N-O 2.77Å; E52-S78 PolarHBondContact O-N 3.16Å; S78-E158 PolarHBondContact OG-OE1 3.08Å
79	I	84.2	Confident	65.9	Low	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123	-170	-59.3	157.6	0	0	0	109.6	I49 I50 I51 T81 V101 L156 Q157 V159 Y178	I49-I79 HydrophobicContact CG2-CG2 4.26Å; I50-I79 CarbonylContact O-C 3.47Å; I50-I79 WeakPolarHBondContact O-CA 3.44Å; I51-I79 HydrophobicContact CG1-CG1 4.31Å; I51-I79 HydrophobicContact CG2-CG1 4.11Å; I79-T81 HydrophobicContact CG2-CG2 4.26Å; I79-V101 HydrophobicContact CD1-CG1 4.29Å; I79-V101 HydrophobicContact CD1-CG2 3.53Å; I79-L156 CarbonylContact O-C 3.46Å; I79-L156 WeakPolarHBondContact O-CA 3.23Å; I79-L156 WeakPolarHBondContact O-CD1 3.32Å; I79-Q157 WeakPolarHBondContact CA-O 3.15Å; I79-Q157 WeakPolarHBondContact CB-O 3.49Å; I79-Q157 PolarHBondContact N-O 2.8Å; I79-Q157 PolarHBondContact O-N 3.11Å; I79-V159 HydrophobicContact CD1-CG2 4.37Å; I79-Y178 HydrophobicContact CD1-CD1 4.31Å; I79-Y178 HydrophobicContact CD1-CD2 3.92Å; I79-Y178 HydrophobicContact CD1-CE2 4.46Å; I79-Y178 HydrophobicContact CD1-CG 3.78Å; I79-Y178 HydrophobicContact CG1-CG 4.37Å; I79-Y178 HydrophobicContact CG2-CD1 3.51Å; I79-Y178 HydrophobicContact CG2-CE1 3.66Å; I79-Y178 HydrophobicContact CG2-CG 4.12Å
80	W	78.6	Confident	64.4	Low	11 Å²	11	67.6 Å²	67.6	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.4	-179.2	-50.6	77.5	0	0	0	110	I49 I50 P137 L140 W141 W154 R155 L156	I49-W80 CarbonylContact C-O 3.47Å; I49-W80 VanDerWaalsContact CA-O 3.25Å; I49-W80 WeakPolarHBondContact CA-O 3.36Å; I50-W80 HydrophobicContact CB-CB 4.26Å; I50-W80 PolarHBondContact N-O 2.84Å; I50-W80 PolarHBondContact O-N 2.86Å; W80-P137 HydrophobicContact CE3-CB 4Å; W80-P137 HydrophobicContact CZ3-CB 3.57Å; W80-P137 WeakPolarHBondContact CZ3-O 3.46Å; W80-L140 HydrophobicContact CH2-CB 3.84Å; W80-W141 AromaticContact CE3-NE1 3.8Å; W80-W141 AromaticContact CH2-CD1 3.5Å; W80-W141 VanDerWaalsContact CH2-CD1 3.5Å; W80-W141 HydrophobicContact CH2-CG 4.47Å; W80-W141 AromaticContact CH2-NE1 3.77Å; W80-W141 AromaticContact CZ3-CD1 3.42Å; W80-W141 VanDerWaalsContact CZ3-CD1 3.42Å; W80-W141 AromaticContact CZ3-NE1 3.2Å; W80-W154 HydrophobicContact CB-CE3 4.08Å; W80-W154 HydrophobicContact CB-CZ3 4.42Å; W80-R155 CarbonylContact C-O 3.48Å; W80-R155 VanDerWaalsContact CA-O 3.29Å; W80-R155 WeakPolarHBondContact CA-O 3.49Å; W80-L156 HydrophobicContact CD2-CB 4.38Å; W80-L156 HydrophobicContact CD2-CD1 3.9Å; W80-L156 HydrophobicContact CE3-CB 3.93Å; W80-L156 HydrophobicContact CE3-CD1 4.28Å; W80-L156 HydrophobicContact CE3-CD2 4.38Å; W80-L156 HydrophobicContact CE3-CG 4.42Å; W80-L156 HydrophobicContact CG-CD1 4.25Å; W80-L156 HydrophobicContact CH2-CD2 3.84Å; W80-L156 HydrophobicContact CZ2-CD1 4.26Å; W80-L156 HydrophobicContact CZ2-CD2 4.11Å; W80-L156 HydrophobicContact CZ3-CB 4.16Å; W80-L156 HydrophobicContact CZ3-CD2 3.97Å; W80-L156 HydrophobicContact CZ3-CG 4.48Å
81	T	74.4	Confident	62.9	Low	38 Å²	38	72.8 Å²	72.8	23%	0.233	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.7	-179	61.2	0	0	0	0	113	T48 I49 I79 W154 R155 Y178	T48-T81 CarbonylContact O-C 3.41Å; T48-T81 WeakPolarHBondContact O-CA 3.25Å; I49-T81 HydrophobicContact CG1-CG2 4.3Å; I79-T81 HydrophobicContact CG2-CG2 4.26Å; T81-W154 VanDerWaalsContact C-CE3 3.4Å; T81-W154 CarbonylContact O-C 3.54Å; T81-W154 VanDerWaalsContact O-CA 3.29Å; T81-W154 WeakPolarHBondContact O-CA 3.42Å; T81-R155 PolarHBondContact N-O 3.02Å; T81-R155 PolarHBondContact O-N 2.98Å; T81-Y178 HydrophobicContact CG2-CE1 4.46Å
82	L	68.2	Low	61.1	Low	53 Å²	53	76.1 Å²	76.1	28%	0.277	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.1	-179.3	-170	84.6	0	0	0	111	T48 G153 W154	T48-L82 HydrophobicContact CG2-CB 4.11Å; T48-L82 HydrophobicContact CG2-CD2 4.24Å; T48-L82 PolarHBondContact O-N 2.82Å; L82-G153 CarbonylContact C-O 3.52Å; L82-G153 WeakPolarHBondContact CA-O 3.16Å; L82-G153 VanDerWaalsContact CD1-O 3.24Å; L82-G153 WeakPolarHBondContact CD1-O 3.31Å; L82-W154 HydrophobicContact CB-CD2 4.29Å; L82-W154 HydrophobicContact CB-CE3 4.1Å; L82-W154 HydrophobicContact CB-CH2 4.11Å; L82-W154 HydrophobicContact CB-CZ2 4.31Å; L82-W154 HydrophobicContact CB-CZ3 4.01Å; L82-W154 HydrophobicContact CD1-CD2 3.8Å; L82-W154 HydrophobicContact CD1-CE3 4.46Å; L82-W154 HydrophobicContact CD1-CG 4.11Å; L82-W154 HydrophobicContact CD1-CH2 4.4Å; L82-W154 HydrophobicContact CD1-CZ2 3.74Å
83	E	61.7	Low	59	Low	97 Å²	97	78.4 Å²	78.4	45%	0.453	45%	0.454	S	S	.	.			trans	-90.1	137.3	178.3	-174.4	164.7	-174.7	0	0	110.6	G153 R155	E83-G153 PolarHBondContact N-O 3.05Å; E83-R155 IonicContact OE1-CZ 3.4Å; E83-R155 IonicContact OE1-NE 2.68Å; E83-R155 PolarHBondContact OE1-NE 2.78Å; E83-R155 IonicContact OE1-NH2 2.7Å; E83-R155 PolarHBondContact OE1-NH2 2.82Å; E83-R155 WeakPolarHBondContact OE2-CG 3.4Å; E83-R155 IonicContact OE2-CZ 3.79Å; E83-R155 IonicContact OE2-NE 3.3Å; E83-R155 PolarHBondContact OE2-NE 2.88Å; E83-R155 IonicContact OE2-NH2 2.79Å
84	S	54.5	Low	56.6	Low	104 Å²	104	85 Å²	85	73%	0.727	49%	0.489	S	S	*	.			trans	-117.4	117.7	-171.5	55.7	0	0	0	0	112.9	D86	S84-D86 PolarHBondContact O-N 2.78Å
85	D	46.2	Very low	54.5	Low	164 Å²	164	91.2 Å²	91.2	88%	0.877	52%	0.517	S	S	*	.			trans	-69.5	102.1	168.7	-70.5	-49.8	0	0	0	111.1
86	D	45.1	Very low	52.3	Low	160 Å²	160	100.6 Å²	100.6	86%	0.856	56%	0.561	S	S	*	*			trans	-153.5	122.1	157.3	-97.4	-45.7	0	0	0	108.7	S84	S84-D86 PolarHBondContact O-N 2.78Å
87	N	34.9	Very low	50	Low	159 Å²	159	105.3 Å²	105.3	85%	0.85	59%	0.59	S	S	*	*			trans	-100.6	122.7	-178.5	-77.8	-62.3	0	0	0	111.2
88	H	41	Very low	48.2	Very low	182 Å²	182	111.8 Å²	111.8	84%	0.843	62%	0.62	S	S	*	*			trans	-160.8	153	147.2	-111.9	-58.9	0	0	0	112.1
89	D	32.6	Very low	46.6	Very low	141 Å²	141	116.5 Å²	116.5	75%	0.754	64%	0.641	S	S	*	*			trans	-65.4	141.1	-173	-44.6	-99.1	0	0	0	114
90	S	32.3	Very low	45.5	Very low	126 Å²	126	118.1 Å²	118.1	88%	0.881	65%	0.653	S	S	*	*				-174.6	168.2	98.7	32.7	0	0	0	0	112.9
91	D	29.3	Very low	45	Very low	154 Å²	154	117.6 Å²	117.6	82%	0.824	65%	0.651	S	S	*	*			trans	-73.4	161.4	-165.1	-160.6	-0.3	0	0	0	114.9
92	S	28.1	Very low	44.8	Very low	116 Å²	116	118.9 Å²	118.9	81%	0.811	65%	0.654	S	S	*	*			trans	63.3	114.2	174.4	71.8	0	0	0	0	117.4
93	G	29.1	Very low	45.2	Very low	76 Å²	76	116.4 Å²	116.4	78%	0.784	64%	0.64	S	S	*	*			trans	167.1	110.4	172.7	0	0	0	0	0	112.2	H95	G93-H95 PolarHBondContact O-N 2.79Å
94	I	30.9	Very low	45.8	Very low	168 Å²	168	113.6 Å²	113.6	86%	0.862	63%	0.627	S	S	*	*			trans	-55.5	132.1	172.9	-64.1	162.9	0	0	0	108.6	E96	I94-E96 PolarHBondContact O-N 2.84Å
95	H	36.7	Very low	46.7	Very low	162 Å²	162	109.8 Å²	109.8	75%	0.75	60%	0.6	S	S	*	*			trans	-56	123.8	171.2	-82.3	-54.3	0	0	0	109.9	G93 T97	G93-H95 PolarHBondContact O-N 2.79Å; H95-T97 PolarHBondContact O-N 2.7Å
96	E	37.1	Very low	47.8	Very low	198 Å²	198	102.9 Å²	102.9	93%	0.925	56%	0.564	S	S	*	*			trans	-68.6	74.9	174	-67.1	-172.7	143.4	0	0	111.1	I94	I94-E96 PolarHBondContact O-N 2.84Å
97	T	35.8	Very low	48	Very low	101 Å²	101	104.1 Å²	104.1	62%	0.62	57%	0.567	S	S	*	*			trans	-74.2	157.4	160.3	48.6	0	0	0	0	110	H95	H95-T97 PolarHBondContact O-N 2.7Å
98	E	46	Very low	48.8	Very low	136 Å²	136	99.2 Å²	99.2	64%	0.636	55%	0.545	S	S	*	.			trans	75.4	49	174.3	-46.9	-168.2	169.9	0	0	116.4	S100	E98-S100 PolarHBondContact O-N 3.25Å
99	Q	52.1	Low	49.4	Very low	100 Å²	100	91.5 Å²	91.5	47%	0.467	51%	0.511	S	S	.	.			trans	-59.6	123.3	139.4	-79.9	-174.7	17.3	0	0	107.9	Y178	Q99-Y178 HydrophobicContact CB-CD2 3.94Å; Q99-Y178 HydrophobicContact CB-CE2 3.38Å; Q99-Y178 WeakPolarHBondContact O-CD2 3.43Å; Q99-Y178 VanDerWaalsContact O-CE2 3.26Å; Q99-Y178 WeakPolarHBondContact O-CE2 3.41Å
100	S	60	Low	49.8	Very low	35 Å²	35	87.2 Å²	87.2	25%	0.245	50%	0.495	C	S	.	.			trans	-67.1	146	-173.5	53.7	0	0	0	0	112.5	E98 F102	E98-S100 PolarHBondContact O-N 3.25Å; S100-F102 VanDerWaalsContact O-CD2 3.32Å; S100-F102 WeakPolarHBondContact O-CD2 2.83Å; S100-F102 VanDerWaalsContact O-CE2 3.32Å; S100-F102 WeakPolarHBondContact O-CE2 2.89Å; S100-F102 WeakPolarHBondContact OG-CE2 3.44Å; S100-F102 VanDerWaalsContact OG-CZ 3.27Å; S100-F102 WeakPolarHBondContact OG-CZ 2.91Å
101	V	68.8	Low	50.4	Low	0 Å²	0	84.8 Å²	84.8	0%	0	47%	0.467	C	S	.	.			trans	-106.6	107	178.9	-177.7	0	0	0	0	108.8	C77 I79 V159 Y161 C176 T177 Y178	C77-V101 HydrophobicContact CB-CG1 4.31Å; I79-V101 HydrophobicContact CD1-CG1 4.29Å; I79-V101 HydrophobicContact CD1-CG2 3.53Å; V101-V159 HydrophobicContact CB-CG2 4Å; V101-V159 HydrophobicContact CG1-CB 4.43Å; V101-V159 HydrophobicContact CG1-CG2 4.07Å; V101-V159 HydrophobicContact CG2-CG2 3.67Å; V101-Y161 WeakPolarHBondContact CG1-OH 3.48Å; V101-Y161 PolarHBondContact O-OH 3.11Å; V101-C176 HydrophobicContact CG1-CB 4.38Å; V101-T177 WeakPolarHBondContact CA-O 3.34Å; V101-Y178 HydrophobicContact CG2-CD2 3.64Å; V101-Y178 HydrophobicContact CG2-CE2 4.43Å; V101-Y178 HydrophobicContact CG2-CG 4.35Å
102	F	71.2	Confident	51.6	Low	65 Å²	65	77.7 Å²	77.7	29%	0.285	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.5	-175.8	-48.8	-122.3	0	0	0	107.4	S100 F104 A113 Q114 C176 T177	S100-F102 VanDerWaalsContact O-CD2 3.32Å; S100-F102 WeakPolarHBondContact O-CD2 2.83Å; S100-F102 VanDerWaalsContact O-CE2 3.32Å; S100-F102 WeakPolarHBondContact O-CE2 2.89Å; S100-F102 WeakPolarHBondContact OG-CE2 3.44Å; S100-F102 VanDerWaalsContact OG-CZ 3.27Å; S100-F102 WeakPolarHBondContact OG-CZ 2.91Å; F102-F104 HydrophobicContact CB-CE2 4.46Å; F102-A113 VanDerWaalsContact CA-O 3.26Å; F102-A113 WeakPolarHBondContact CA-O 3.36Å; F102-A113 HydrophobicContact CB-CB 4.32Å; F102-A113 WeakPolarHBondContact CB-O 3.33Å; F102-A113 HydrophobicContact CD1-CB 4.14Å; F102-A113 WeakPolarHBondContact CD1-O 3.48Å; F102-A113 WeakPolarHBondContact CG-O 3.31Å; F102-Q114 HydrophobicContact CE1-CG 4.3Å; F102-C176 CarbonylContact O-C 3.56Å; F102-C176 VanDerWaalsContact O-CA 3.22Å; F102-C176 WeakPolarHBondContact O-CA 3.33Å; F102-T177 WeakPolarHBondContact CB-OG1 3.29Å; F102-T177 PolarHBondContact N-O 3Å; F102-T177 PolarHBondContact O-N 2.91Å
103	L	76.3	Confident	52.3	Low	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	176.5	169.6	-175.1	45.1	0	0	0	108.5	F75 C112 Y161 W174 G175 C176 T1235 D1236	F75-L103 HydrophobicContact CD1-CD1 3.8Å; F75-L103 HydrophobicContact CD1-CD2 4.24Å; F75-L103 HydrophobicContact CE1-CD1 3.34Å; F75-L103 HydrophobicContact CE2-CD1 4.34Å; F75-L103 HydrophobicContact CG-CD1 4.49Å; F75-L103 HydrophobicContact CZ-CD1 3.64Å; L103-C112 CarbonylContact C-O 3.22Å; L103-C112 VanDerWaalsContact CA-O 3.23Å; L103-C112 WeakPolarHBondContact CA-O 3.31Å; L103-C112 VanDerWaalsContact CB-O 3.3Å; L103-C112 WeakPolarHBondContact CB-O 3.26Å; L103-C112 PolarHBondContact N-O 2.87Å; L103-C112 CarbonylContact O-C 3.48Å; L103-C112 VanDerWaalsContact O-C 3.31Å; L103-Y161 HydrophobicContact CB-CE1 4.05Å; L103-Y161 HydrophobicContact CD2-CD1 3.38Å; L103-Y161 HydrophobicContact CD2-CD2 3.85Å; L103-Y161 HydrophobicContact CD2-CE1 3.55Å; L103-Y161 HydrophobicContact CD2-CE2 4.01Å; L103-Y161 HydrophobicContact CD2-CG 3.53Å; L103-Y161 HydrophobicContact CG-CE1 4.47Å; L103-W174 HydrophobicContact CD1-CE3 4.41Å; L103-W174 HydrophobicContact CD2-CE3 4.31Å; L103-W174 HydrophobicContact CD2-CZ3 4.34Å; L103-W174 HydrophobicContact CG-CE3 4.46Å; L103-G175 CarbonylContact C-O 3.54Å; L103-G175 WeakPolarHBondContact CA-O 3.24Å; L103-G175 WeakPolarHBondContact CD1-O 3.3Å; L103-C176 HydrophobicContact CD1-CB 4.47Å; L103-T1235 HydrophobicContact CB-CG2 4.12Å; L103-D1236 HydrophobicContact CD2-CB 4.04Å; L103-D1236 WeakPolarHBondContact CD2-OD2 3.4Å; L103-D1236 HydrophobicContact CG-CB 4.37Å; L103-D1236 WeakPolarHBondContact CG-OD2 3.41Å
104	F	74.1	Confident	53.3	Low	39 Å²	39	72.7 Å²	72.7	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.4	179.6	-69.7	-92.2	0	0	0	106.9	F102 W174 G175 T177	F102-F104 HydrophobicContact CB-CE2 4.46Å; F104-W174 VanDerWaalsContact O-CA 3.22Å; F104-W174 WeakPolarHBondContact O-CA 3.5Å; F104-G175 WeakPolarHBondContact CB-O 3.39Å; F104-G175 WeakPolarHBondContact CD2-O 3.09Å; F104-G175 PolarHBondContact N-O 2.77Å; F104-G175 PolarHBondContact O-N 2.91Å; F104-T177 HydrophobicContact CD2-CG2 4.48Å; F104-T177 HydrophobicContact CE2-CG2 3.45Å; F104-T177 VanDerWaalsContact CE2-CG2 3.45Å; F104-T177 HydrophobicContact CZ-CG2 3.94Å
105	C	72.4	Confident	54.4	Low	24 Å²	24	67 Å²	67	16%	0.162	34%	0.344	C	S	.	.			trans	-129.5	168.6	-178.2	-75	0	0	0	0	111	V109 C112 F173 D1236	C105-V109 HydrophobicContact CB-CB 3.91Å; C105-V109 HydrophobicContact CB-CG1 4.2Å; C105-V109 HydrophobicContact CB-CG2 4.44Å; C105-C112 HydrophobicContact CB-CB 3.69Å; C105-C112 WeakPolarHBondContact CB-SG 3.38Å; C105-C112 WeakPolarHBondContact SG-CB 3.2Å; C105-C112 CovalentContact SG-SG 2.02Å; C105-C112 PolarHBondContact SG-SG 3.16Å; C105-F173 CarbonylContact C-O 3.53Å; C105-F173 WeakPolarHBondContact CA-O 3.05Å; C105-D1236 PolarHBondContact SG-OD2 3.32Å
106	P	69.1	Low	55.4	Low	19 Å²	19	60.6 Å²	60.6	12%	0.123	32%	0.317	C	S	.	.			trans	-60.6	145.4	159.7	28.2	-35.8	0	0	0	111.6	S108 V109 A171 F173	P106-S108 PolarHBondContact O-N 2.81Å; P106-V109 HydrophobicContact CG-CG2 4.11Å; P106-V109 PolarHBondContact O-N 3.17Å; P106-A171 WeakPolarHBondContact CG-O 3.42Å; P106-F173 VanDerWaalsContact CD-O 3.22Å; P106-F173 WeakPolarHBondContact CD-O 3.15Å; P106-F173 VanDerWaalsContact N-O 3.15Å
107	M	49.4	Very low	56.1	Low	185 Å²	185	56.4 Å²	56.4	91%	0.911	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-56.6	-17.6	-178	-65.3	-173.3	-66.5	0	0	114.7	V109 A110	M107-V109 PolarHBondContact O-N 3.06Å; M107-A110 PolarHBondContact O-N 2.96Å
108	S	52.9	Low	56.8	Low	57 Å²	57	55.1 Å²	55.1	40%	0.399	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-69.9	-9.2	173.5	48.6	0	0	0	0	114.8	P106 A169	P106-S108 PolarHBondContact O-N 2.81Å; S108-A169 VanDerWaalsContact CB-O 3.28Å; S108-A169 WeakPolarHBondContact CB-O 3.19Å; S108-A169 PolarHBondContact OG-O 2.96Å
109	V	54.2	Low	56.8	Low	20 Å²	20	53.9 Å²	53.9	12%	0.121	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-104.1	-10.3	174.3	-179.1	0	0	0	0	111.9	C105 P106 M107 L125	C105-V109 HydrophobicContact CB-CB 3.91Å; C105-V109 HydrophobicContact CB-CG1 4.2Å; C105-V109 HydrophobicContact CB-CG2 4.44Å; P106-V109 HydrophobicContact CG-CG2 4.11Å; P106-V109 PolarHBondContact O-N 3.17Å; M107-V109 PolarHBondContact O-N 3.06Å; V109-L125 HydrophobicContact CG1-CD2 3.67Å
110	A	40	Very low	56.7	Low	51 Å²	51	54.5 Å²	54.5	42%	0.421	29%	0.294	S	S	.	.			trans	57.5	-161.8	-162	0	0	0	0	0	112.4	M107 C112	M107-A110 PolarHBondContact O-N 2.96Å; A110-C112 PolarHBondContact O-N 3.15Å; A110-C112 VanDerWaalsContact O-N 3.11Å
111	Y	44.4	Very low	56.1	Low	74 Å²	74	59.1 Å²	59.1	29%	0.29	33%	0.327	S	S	.	.			trans	-90.3	82.9	-141.5	-118	-61.2	0	0	0	116.1	A113 D1231 D1232 T1233 T1234	Y111-A113 VanDerWaalsContact C-N 3.27Å; Y111-A113 PolarHBondContact O-N 2.79Å; Y111-D1231 WeakPolarHBondContact OH-CA 3.35Å; Y111-D1231 WeakPolarHBondContact OH-CB 3.22Å; Y111-D1231 PolarHBondContact OH-OD1 3.27Å; Y111-D1231 VanDerWaalsContact OH-OD1 3.13Å; Y111-D1231 PolarHBondContact OH-OD2 3.11Å; Y111-D1232 HydrophobicContact CD1-CB 4.44Å; Y111-D1232 HydrophobicContact CE1-CB 3.9Å; Y111-D1232 WeakPolarHBondContact CE1-OD1 3.22Å; Y111-D1232 VanDerWaalsContact CE1-OD2 3.27Å; Y111-D1232 WeakPolarHBondContact CE1-OD2 3.46Å; Y111-D1232 PolarHBondContact OH-OD1 2.83Å; Y111-T1233 WeakPolarHBondContact CB-O 3.07Å; Y111-T1233 CarbonylContact O-C 3.59Å; Y111-T1233 VanDerWaalsContact O-C 3.28Å; Y111-T1234 CarbonylContact C-O 3.41Å; Y111-T1234 CarbonylContact O-C 3.52Å; Y111-T1234 WeakPolarHBondContact O-CA 3.35Å; Y111-T1234 PolarHBondContact O-N 2.85Å
112	C	54.7	Low	54.9	Low	6 Å²	6	63.7 Å²	63.7	4%	0.041	36%	0.355	C	S	.	.			trans	-64.3	46.1	-169.7	-65.7	0	0	0	0	119.7	L103 C105 A110 T1235 D1236	L103-C112 CarbonylContact C-O 3.22Å; L103-C112 VanDerWaalsContact CA-O 3.23Å; L103-C112 WeakPolarHBondContact CA-O 3.31Å; L103-C112 VanDerWaalsContact CB-O 3.3Å; L103-C112 WeakPolarHBondContact CB-O 3.26Å; L103-C112 PolarHBondContact N-O 2.87Å; L103-C112 CarbonylContact O-C 3.48Å; L103-C112 VanDerWaalsContact O-C 3.31Å; C105-C112 HydrophobicContact CB-CB 3.69Å; C105-C112 WeakPolarHBondContact CB-SG 3.38Å; C105-C112 WeakPolarHBondContact SG-CB 3.2Å; C105-C112 CovalentContact SG-SG 2.02Å; C105-C112 PolarHBondContact SG-SG 3.16Å; A110-C112 PolarHBondContact O-N 3.15Å; A110-C112 VanDerWaalsContact O-N 3.11Å; C112-T1235 VanDerWaalsContact C-CB 3.48Å; C112-T1235 WeakPolarHBondContact O-CA 3.17Å; C112-T1235 WeakPolarHBondContact O-CB 3.19Å; C112-T1235 WeakPolarHBondContact O-CG2 3.37Å; C112-D1236 HydrophobicContact CB-CB 3.5Å; C112-D1236 VanDerWaalsContact CB-CB 3.5Å; C112-D1236 WeakPolarHBondContact CB-OD2 3.23Å; C112-D1236 VanDerWaalsContact SG-CB 3.6Å; C112-D1236 PolarHBondContact SG-OD2 3.03Å; C112-D1236 VanDerWaalsContact SG-OD2 3.42Å
113	A	43	Very low	53.8	Low	1 Å²	1	66.9 Å²	66.9	1%	0.008	37%	0.365	C	S	.	.			trans	-113	-16.4	-161.2	0	0	0	0	0	121.4	F102 Y111 T1235	F102-A113 VanDerWaalsContact CA-O 3.26Å; F102-A113 WeakPolarHBondContact CA-O 3.36Å; F102-A113 HydrophobicContact CB-CB 4.32Å; F102-A113 WeakPolarHBondContact CB-O 3.33Å; F102-A113 HydrophobicContact CD1-CB 4.14Å; F102-A113 WeakPolarHBondContact CD1-O 3.48Å; F102-A113 WeakPolarHBondContact CG-O 3.31Å; Y111-A113 VanDerWaalsContact C-N 3.27Å; Y111-A113 PolarHBondContact O-N 2.79Å; A113-T1235 VanDerWaalsContact CA-CG2 3.48Å; A113-T1235 VanDerWaalsContact N-N 3.18Å; A113-T1235 WeakPolarHBondContact O-CG2 3.5Å
114	Q	50.5	Low	52.4	Low	86 Å²	86	69.8 Å²	69.8	40%	0.402	38%	0.38	S	S	.	.	S	Bend	trans	-134.2	112.7	164.2	-72.1	176.6	-20.1	0	0	114.6	F102 T1234 T1235	F102-Q114 HydrophobicContact CE1-CG 4.3Å; Q114-T1234 HydrophobicContact CB-CG2 3.95Å; Q114-T1234 VanDerWaalsContact N-CA 3.27Å; Q114-T1235 PolarHBondContact O-N 3.09Å
115	D	53.8	Low	51.2	Low	48 Å²	48	68.3 Å²	68.3	26%	0.257	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.6	63.9	159	-57.9	7.3	0	0	0	122	L117 R129 T1235	D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact O-N 3.05Å; D115-R129 VanDerWaalsContact CG-NH2 3.27Å; D115-R129 IonicContact OD1-CZ 2.65Å; D115-R129 IonicContact OD1-NH1 2.64Å; D115-R129 PolarHBondContact OD1-NH1 2.67Å; D115-R129 IonicContact OD1-NH2 3.38Å; D115-R129 IonicContact OD2-CZ 2.67Å; D115-R129 IonicContact OD2-NH1 3.14Å; D115-R129 PolarHBondContact OD2-NH1 2.59Å; D115-R129 IonicContact OD2-NH2 3.12Å; D115-R129 PolarHBondContact OD2-NH2 3.18Å; D115-T1235 WeakPolarHBondContact CA-OG1 3.34Å; D115-T1235 VanDerWaalsContact N-CG2 3.33Å; D115-T1235 PolarHBondContact N-OG1 3.03Å
116	C	58.5	Low	50.4	Low	27 Å²	27	72.8 Å²	72.8	18%	0.182	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	19.6	172	-124.4	0	0	0	0	117.1	L118 C127 T128 T1235 D1236	C116-L118 PolarHBondContact O-N 3.29Å; C116-C127 WeakPolarHBondContact CA-SG 3.13Å; C116-C127 WeakPolarHBondContact CB-SG 3.2Å; C116-C127 PolarHBondContact O-SG 3.24Å; C116-C127 WeakPolarHBondContact SG-CB 3.4Å; C116-C127 PolarHBondContact SG-O 2.89Å; C116-C127 CovalentContact SG-SG 2.06Å; C116-C127 PolarHBondContact SG-SG 3.31Å; C116-T128 VanDerWaalsContact SG-CA 3.56Å; C116-T128 PolarHBondContact SG-N 2.9Å; C116-T1235 CarbonylContact C-O 3.4Å; C116-T1235 PolarHBondContact N-OG1 2.81Å; C116-D1236 VanDerWaalsContact CA-N 3.31Å; C116-D1236 PolarHBondContact SG-O 3.21Å
117	L	50.9	Low	50	Low	111 Å²	111	72.9 Å²	72.9	58%	0.581	39%	0.394	S	S	*	.			trans	-96.3	92.1	-174.9	-74	158.2	0	0	0	111.3	D115 V119 T1234 T1235	D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact O-N 3.05Å; L117-V119 PolarHBondContact O-N 3.32Å; L117-T1234 PolarHBondContact O-OG1 2.61Å; L117-T1235 PolarHBondContact N-O 3.28Å
118	L	50.5	Low	50.7	Low	74 Å²	74	67 Å²	67	39%	0.387	37%	0.368	S	S	.	.			trans	-55.6	130.5	166.2	-68.6	170.7	0	0	0	110.5	C116 E120	C116-L118 PolarHBondContact O-N 3.29Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 3.11Å
119	V	45	Very low	51.4	Low	110 Å²	110	67.1 Å²	67.1	67%	0.667	36%	0.36	S	S	*	.	S	Bend	trans	-66	-27.2	-176.7	-178	0	0	0	0	112.9	L117	L117-V119 PolarHBondContact O-N 3.32Å
120	E	50.4	Low	52.2	Low	112 Å²	112	72 Å²	72	52%	0.523	38%	0.381	S	S	.	.			trans	-135.7	145	174	-63.4	-170.4	129	0	0	112.3	L118 T122	L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 3.11Å; E120-T122 VanDerWaalsContact CB-OG1 3.24Å; E120-T122 WeakPolarHBondContact CB-OG1 3.02Å; E120-T122 PolarHBondContact O-N 2.96Å; E120-T122 VanDerWaalsContact O-N 3.13Å; E120-T122 PolarHBondContact OE2-OG1 2.86Å
121	S	47.5	Very low	53.6	Low	133 Å²	133	73.1 Å²	73.1	93%	0.93	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	3	176	55.6	0	0	0	0	114.7
122	T	44.8	Very low	54.9	Low	96 Å²	96	75 Å²	75	59%	0.589	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.7	-177.7	49.5	0	0	0	0	113.5	E120	E120-T122 VanDerWaalsContact CB-OG1 3.24Å; E120-T122 WeakPolarHBondContact CB-OG1 3.02Å; E120-T122 PolarHBondContact O-N 2.96Å; E120-T122 VanDerWaalsContact O-N 3.13Å; E120-T122 PolarHBondContact OE2-OG1 2.86Å
123	W	47.5	Very low	55.6	Low	131 Å²	131	80.3 Å²	80.3	50%	0.496	41%	0.41	S	S	.	.			trans	-89.7	141.8	-174.5	-80.3	68.7	0	0	0	113.4	L125	W123-L125 VanDerWaalsContact C-N 3.33Å; W123-L125 PolarHBondContact O-N 2.85Å
124	L	46.1	Very low	56.7	Low	61 Å²	61	81.4 Å²	81.4	32%	0.319	42%	0.416	S	S	.	.	S	Bend	trans	-86.7	0.2	-169.6	-61.9	164.3	0	0	0	114.3	Q126 L197	L124-Q126 PolarHBondContact O-N 2.84Å; L124-L197 HydrophobicContact CD1-CD1 3.35Å; L124-L197 HydrophobicContact CD1-CD2 3.97Å; L124-L197 HydrophobicContact CD1-CG 4.29Å; L124-L197 HydrophobicContact CD2-CB 4.46Å; L124-L197 HydrophobicContact CD2-CD1 3.83Å; L124-L197 HydrophobicContact CD2-CD2 4.16Å; L124-L197 HydrophobicContact CD2-CG 4.37Å; L124-L197 HydrophobicContact CG-CD1 4.23Å
125	L	49.2	Very low	56.8	Low	8 Å²	8	83.5 Å²	83.5	4%	0.042	44%	0.438	C	S	.	.			trans	-92.2	68.8	-173.7	-164.2	86.4	0	0	0	111	V109 W123 C127 L163	V109-L125 HydrophobicContact CG1-CD2 3.67Å; W123-L125 VanDerWaalsContact C-N 3.33Å; W123-L125 PolarHBondContact O-N 2.85Å; L125-C127 PolarHBondContact O-N 2.91Å; L125-L163 HydrophobicContact CD1-CD1 4.03Å; L125-L163 HydrophobicContact CD1-CD2 3.93Å; L125-L163 HydrophobicContact CD1-CG 4.03Å; L125-L163 HydrophobicContact CD2-CD1 4.09Å; L125-L163 HydrophobicContact CG-CD1 3.92Å; L125-L163 HydrophobicContact CG-CG 4.19Å
126	Q	56.4	Low	57.1	Low	119 Å²	119	86 Å²	86	56%	0.556	45%	0.451	S	S	*	.			trans	-60.2	137.4	178.6	-179.4	167.6	27.4	0	0	111.3	L124 L163 D164	L124-Q126 PolarHBondContact O-N 2.84Å; Q126-L163 CarbonylContact O-C 3.6Å; Q126-L163 WeakPolarHBondContact O-CA 3.28Å; Q126-D164 HydrophobicContact CB-CB 4.15Å; Q126-D164 HydrophobicContact CG-CB 4.33Å; Q126-D164 PolarHBondContact O-N 2.89Å
127	C	60.8	Low	56.9	Low	21 Å²	21	85.4 Å²	85.4	14%	0.142	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.8	-170.9	89.3	0	0	0	0	111.8	C116 L125 K162 A1237	C116-C127 WeakPolarHBondContact CA-SG 3.13Å; C116-C127 WeakPolarHBondContact CB-SG 3.2Å; C116-C127 PolarHBondContact O-SG 3.24Å; C116-C127 WeakPolarHBondContact SG-CB 3.4Å; C116-C127 PolarHBondContact SG-O 2.89Å; C116-C127 CovalentContact SG-SG 2.06Å; C116-C127 PolarHBondContact SG-SG 3.31Å; L125-C127 PolarHBondContact O-N 2.91Å; C127-K162 CarbonylContact C-O 3.58Å; C127-K162 WeakPolarHBondContact CA-O 3.46Å; C127-A1237 HydrophobicContact CB-CB 3.66Å
128	T	63.1	Low	57.1	Low	60 Å²	60	85.7 Å²	85.7	37%	0.368	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132.1	171.4	73	0	0	0	0	111.2	C116 K162 A1237	C116-T128 VanDerWaalsContact SG-CA 3.56Å; C116-T128 PolarHBondContact SG-N 2.9Å; T128-K162 PolarHBondContact N-O 2.77Å; T128-K162 VanDerWaalsContact O-CA 3.32Å; T128-K162 WeakPolarHBondContact O-CA 3.29Å; T128-K162 WeakPolarHBondContact O-CB 3.23Å; T128-K162 PolarHBondContact O-N 3.25Å; T128-K162 WeakPolarHBondContact OG1-CD 3.37Å; T128-K162 PolarHBondContact OG1-O 3.17Å; T128-A1237 WeakPolarHBondContact O-CB 3.37Å
129	R	67.4	Low	57.1	Low	61 Å²	61	89.6 Å²	89.6	23%	0.23	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.8	-177.9	-174.5	-170	64.8	157.8	-8.4	112.9	D115 F131 V159 I160 Y161	D115-R129 VanDerWaalsContact CG-NH2 3.27Å; D115-R129 IonicContact OD1-CZ 2.65Å; D115-R129 IonicContact OD1-NH1 2.64Å; D115-R129 PolarHBondContact OD1-NH1 2.67Å; D115-R129 IonicContact OD1-NH2 3.38Å; D115-R129 IonicContact OD2-CZ 2.67Å; D115-R129 IonicContact OD2-NH1 3.14Å; D115-R129 PolarHBondContact OD2-NH1 2.59Å; D115-R129 IonicContact OD2-NH2 3.12Å; D115-R129 PolarHBondContact OD2-NH2 3.18Å; R129-F131 VanDerWaalsContact CZ-CE2 3.42Å; R129-V159 HydrophobicContact CG-CG1 3.77Å; R129-I160 CarbonylContact C-O 3.58Å; R129-Y161 HydrophobicContact CG-CD1 4.12Å; R129-Y161 HydrophobicContact CG-CE1 4.04Å
130	Q	71.9	Confident	57.2	Low	122 Å²	122	88.2 Å²	88.2	57%	0.57	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.4	175.3	-62.1	-175.7	-34.1	0	0	112	V159 I160	Q130-V159 WeakPolarHBondContact O-CA 3.09Å; Q130-I160 HydrophobicContact CB-CB 4.43Å; Q130-I160 PolarHBondContact N-O 2.89Å; Q130-I160 PolarHBondContact O-N 3.48Å
131	F	69.5	Low	57.2	Low	75 Å²	75	84.8 Å²	84.8	33%	0.329	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.7	176.4	-74.8	-78.8	0	0	0	111.8	R129 V159	R129-F131 VanDerWaalsContact CZ-CE2 3.42Å; F131-V159 HydrophobicContact CD1-CB 4.4Å; F131-V159 HydrophobicContact CD1-CG1 4.22Å; F131-V159 HydrophobicContact CD1-CG2 3.61Å; F131-V159 HydrophobicContact CE1-CG1 4.23Å; F131-V159 HydrophobicContact CE1-CG2 3.62Å
132	R	71.7	Confident	57.3	Low	112 Å²	112	80.4 Å²	80.4	42%	0.423	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	114.6	177.2	-169.7	-164.2	-144.4	170.6	11.8	111.5	E57 Q157 E158	E57-R132 IonicContact OE1-CZ 3.84Å; E57-R132 IonicContact OE1-NH1 2.71Å; E57-R132 PolarHBondContact OE1-NH1 3.39Å; E57-R132 IonicContact OE1-NH2 3.05Å; E57-R132 PolarHBondContact OE1-NH2 3.11Å; R132-Q157 CarbonylContact O-C 3.59Å; R132-Q157 WeakPolarHBondContact O-CA 3.32Å; R132-E158 HydrophobicContact CB-CB 4.43Å; R132-E158 PolarHBondContact N-O 3Å; R132-E158 IonicContact NH1-OE2 3.32Å; R132-E158 PolarHBondContact NH1-OE2 2.89Å; R132-E158 PolarHBondContact O-N 2.82Å
133	I	68.6	Low	57.3	Low	118 Å²	118	80.9 Å²	80.9	61%	0.605	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	134	166.9	-59.5	174.1	0	0	0	108.1	P135 Q157	I133-P135 WeakPolarHBondContact O-CD 3.42Å; I133-Q157 HydrophobicContact CG1-CG 4.3Å
134	V	66.9	Low	57.4	Low	24 Å²	24	82.7 Å²	82.7	15%	0.145	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.3	-176.1	-178.2	0	0	0	0	110	N136 L140 L156 E158	V134-N136 PolarHBondContact O-N 3.23Å; V134-N136 VanDerWaalsContact O-N 3.07Å; V134-L140 HydrophobicContact CG1-CD1 4Å; V134-L156 HydrophobicContact CB-CB 4.12Å; V134-L156 HydrophobicContact CB-CD2 3.87Å; V134-L156 HydrophobicContact CB-CG 3.92Å; V134-L156 HydrophobicContact CG1-CD2 4.12Å; V134-L156 HydrophobicContact CG2-CD2 3.85Å; V134-L156 HydrophobicContact CG2-CG 3.89Å; V134-L156 PolarHBondContact N-O 3.39Å; V134-E158 HydrophobicContact CG2-CG 4.25Å
135	P	53.2	Low	57.6	Low	131 Å²	131	82.1 Å²	82.1	85%	0.851	42%	0.422	S	S	*	.	S	Bend	trans	-71.1	-4.1	-169.8	-22.2	34.9	0	0	0	116.5	I133	I133-P135 WeakPolarHBondContact O-CD 3.42Å
136	N	59.2	Low	57.5	Low	100 Å²	100	88 Å²	88	54%	0.535	45%	0.447	S	S	.	.			trans	-147.4	82.6	176.4	-165.7	-14.9	0	0	0	112	V134 E138	V134-N136 PolarHBondContact O-N 3.23Å; V134-N136 VanDerWaalsContact O-N 3.07Å; N136-E138 VanDerWaalsContact C-N 3.28Å; N136-E138 PolarHBondContact O-N 3.25Å
137	P	55.1	Low	57	Low	14 Å²	14	89.6 Å²	89.6	9%	0.091	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-64.6	-22	-175.9	16.5	-26.3	0	0	0	115.4	W80 L139 L140 W141 W154 L156	W80-P137 HydrophobicContact CE3-CB 4Å; W80-P137 HydrophobicContact CZ3-CB 3.57Å; W80-P137 WeakPolarHBondContact CZ3-O 3.46Å; P137-L139 PolarHBondContact O-N 2.87Å; P137-L140 PolarHBondContact O-N 2.84Å; P137-W141 VanDerWaalsContact O-CD1 3.27Å; P137-W154 WeakPolarHBondContact CG-O 3.34Å; P137-L156 HydrophobicContact CB-CB 3.88Å
138	E	54.1	Low	56.3	Low	117 Å²	117	91.4 Å²	91.4	55%	0.547	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-62.7	-17.2	-172	-59.3	-165	150.6	0	0	113.5	N136 K152	N136-E138 VanDerWaalsContact C-N 3.28Å; N136-E138 PolarHBondContact O-N 3.25Å; E138-K152 PolarHBondContact OE1-N 3.09Å
139	L	50.3	Low	55.4	Low	156 Å²	156	98.6 Å²	98.6	82%	0.817	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-83.4	-19.4	-179	-137.5	76.2	0	0	0	114.8	P137	P137-L139 PolarHBondContact O-N 2.87Å
140	L	47.5	Very low	54.6	Low	82 Å²	82	100 Å²	100	43%	0.429	51%	0.51	S	S	.	.			trans	-102.8	2.1	-166.5	-78.9	166.7	0	0	0	115.4	W80 V134 P137 T142 L156	W80-L140 HydrophobicContact CH2-CB 3.84Å; V134-L140 HydrophobicContact CG1-CD1 4Å; P137-L140 PolarHBondContact O-N 2.84Å; L140-T142 PolarHBondContact O-N 3.48Å; L140-L156 HydrophobicContact CD1-CD2 3.64Å
141	W	51.3	Low	53.4	Low	40 Å²	40	100.1 Å²	100.1	15%	0.152	52%	0.519	C	S	.	.			trans	-68.2	117.3	-171.5	-77.4	39.4	0	0	0	113.7	W80 P137 L145 K146 W154	W80-W141 AromaticContact CE3-NE1 3.8Å; W80-W141 AromaticContact CH2-CD1 3.5Å; W80-W141 VanDerWaalsContact CH2-CD1 3.5Å; W80-W141 HydrophobicContact CH2-CG 4.47Å; W80-W141 AromaticContact CH2-NE1 3.77Å; W80-W141 AromaticContact CZ3-CD1 3.42Å; W80-W141 VanDerWaalsContact CZ3-CD1 3.42Å; W80-W141 AromaticContact CZ3-NE1 3.2Å; P137-W141 VanDerWaalsContact O-CD1 3.27Å; W141-L145 HydrophobicContact CD2-CB 4.32Å; W141-L145 HydrophobicContact CE3-CB 3.49Å; W141-L145 VanDerWaalsContact CE3-CB 3.49Å; W141-L145 HydrophobicContact CE3-CD2 4.39Å; W141-L145 HydrophobicContact CH2-CD2 4.39Å; W141-L145 HydrophobicContact CZ3-CB 3.64Å; W141-L145 HydrophobicContact CZ3-CD2 4.26Å; W141-K146 HydrophobicContact CB-CG 4.45Å; W141-K146 PolarHBondContact O-NZ 2.8Å; W141-W154 HydrophobicContact CZ2-CG 4.29Å
142	T	48.1	Very low	52.5	Low	40 Å²	40	104.6 Å²	104.6	25%	0.245	54%	0.539	C	S	.	.			trans	-62.7	163	169.2	53.9	0	0	0	0	111.6	E52 L140 Q144	E52-T142 PolarHBondContact OE1-OG1 2.95Å; L140-T142 PolarHBondContact O-N 3.48Å; T142-Q144 PolarHBondContact O-N 3.41Å; T142-Q144 VanDerWaalsContact O-N 3.11Å
143	S	46	Very low	51.9	Low	106 Å²	106	100.7 Å²	100.7	74%	0.741	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.6	-163.3	56.2	0	0	0	0	115.5
144	Q	49	Very low	51.8	Low	170 Å²	170	97 Å²	97	79%	0.794	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-36.2	-176.2	-67.8	-176.6	-16.6	0	0	113.5	T142	T142-Q144 PolarHBondContact O-N 3.41Å; T142-Q144 VanDerWaalsContact O-N 3.11Å
145	L	50.6	Low	51.8	Low	48 Å²	48	102.1 Å²	102.1	25%	0.251	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-79.2	-21.7	-176.7	-82.3	74.2	0	0	0	113.8	I50 W141 N147 S148	I50-L145 HydrophobicContact CD1-CD2 3.98Å; W141-L145 HydrophobicContact CD2-CB 4.32Å; W141-L145 HydrophobicContact CE3-CB 3.49Å; W141-L145 VanDerWaalsContact CE3-CB 3.49Å; W141-L145 HydrophobicContact CE3-CD2 4.39Å; W141-L145 HydrophobicContact CH2-CD2 4.39Å; W141-L145 HydrophobicContact CZ3-CB 3.64Å; W141-L145 HydrophobicContact CZ3-CD2 4.26Å; L145-N147 PolarHBondContact O-N 2.99Å; L145-S148 PolarHBondContact O-N 3.44Å; L145-S148 VanDerWaalsContact O-N 3.08Å; L145-S148 PolarHBondContact O-OG 3.37Å
146	K	46.7	Very low	52.9	Low	132 Å²	132	96 Å²	96	57%	0.574	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-63.1	-8.4	-175.8	-87.5	170.6	173.3	138	0	115.6	W141	W141-K146 HydrophobicContact CB-CG 4.45Å; W141-K146 PolarHBondContact O-NZ 2.8Å
147	N	46.3	Very low	53.8	Low	153 Å²	153	93.1 Å²	93.1	82%	0.818	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-85.9	-11.1	174.8	-75.5	-19.4	0	0	0	114.3	L145	L145-N147 PolarHBondContact O-N 2.99Å
148	S	46.2	Very low	55.2	Low	59 Å²	59	92.8 Å²	92.8	41%	0.413	47%	0.469	S	S	.	.	S	Bend	trans	-88.2	124.8	172.1	60.6	0	0	0	0	111.6	L145 I150	L145-S148 PolarHBondContact O-N 3.44Å; L145-S148 VanDerWaalsContact O-N 3.08Å; L145-S148 PolarHBondContact O-OG 3.37Å; S148-I150 PolarHBondContact O-N 3.28Å
149	K	43	Very low	56.4	Low	210 Å²	210	87.2 Å²	87.2	91%	0.913	44%	0.443	S	S	*	.			trans	-77.1	61.9	175.6	-70.1	-173.9	176.7	-179.3	0	112.5
150	I	52.2	Low	57.8	Low	91 Å²	91	81 Å²	81	47%	0.467	41%	0.411	S	S	.	.			trans	-124.8	94.7	170.3	-57.1	179.9	0	0	0	107	S148	S148-I150 PolarHBondContact O-N 3.28Å
151	T	45.7	Very low	59.3	Low	124 Å²	124	77.1 Å²	77.1	76%	0.761	39%	0.39	S	S	*	.			trans	-113.7	133.8	-177.6	52.1	0	0	0	0	109.4
152	K	50.8	Low	60.4	Low	170 Å²	170	78 Å²	78	74%	0.739	40%	0.395	S	S	*	.	S	Bend	trans	70.6	153.6	-160.8	-51.4	-175.6	176.2	-170.7	0	114.4	E138	E138-K152 PolarHBondContact OE1-N 3.09Å
153	G	58.5	Low	61.7	Low	30 Å²	30	76.2 Å²	76.2	31%	0.309	38%	0.384	S	S	.	.			trans	90.5	19.8	172.7	0	0	0	0	0	116.4	L82 E83	L82-G153 CarbonylContact C-O 3.52Å; L82-G153 WeakPolarHBondContact CA-O 3.16Å; L82-G153 VanDerWaalsContact CD1-O 3.24Å; L82-G153 WeakPolarHBondContact CD1-O 3.31Å; E83-G153 PolarHBondContact N-O 3.05Å
154	W	66.7	Low	62.7	Low	39 Å²	39	73 Å²	73	15%	0.148	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147	169	-69.9	89.7	0	0	0	110.8	I50 W80 T81 L82 P137 W141	I50-W154 HydrophobicContact CD1-CH2 3.76Å; I50-W154 HydrophobicContact CD1-CZ2 4.32Å; I50-W154 HydrophobicContact CD1-CZ3 4.08Å; I50-W154 HydrophobicContact CG1-CH2 4.02Å; I50-W154 HydrophobicContact CG1-CZ3 4.09Å; W80-W154 HydrophobicContact CB-CE3 4.08Å; W80-W154 HydrophobicContact CB-CZ3 4.42Å; T81-W154 VanDerWaalsContact C-CE3 3.4Å; T81-W154 CarbonylContact O-C 3.54Å; T81-W154 VanDerWaalsContact O-CA 3.29Å; T81-W154 WeakPolarHBondContact O-CA 3.42Å; L82-W154 HydrophobicContact CB-CD2 4.29Å; L82-W154 HydrophobicContact CB-CE3 4.1Å; L82-W154 HydrophobicContact CB-CH2 4.11Å; L82-W154 HydrophobicContact CB-CZ2 4.31Å; L82-W154 HydrophobicContact CB-CZ3 4.01Å; L82-W154 HydrophobicContact CD1-CD2 3.8Å; L82-W154 HydrophobicContact CD1-CE3 4.46Å; L82-W154 HydrophobicContact CD1-CG 4.11Å; L82-W154 HydrophobicContact CD1-CH2 4.4Å; L82-W154 HydrophobicContact CD1-CZ2 3.74Å; P137-W154 WeakPolarHBondContact CG-O 3.34Å; W141-W154 HydrophobicContact CZ2-CG 4.29Å
155	R	68.2	Low	63.5	Low	132 Å²	132	67.7 Å²	67.7	50%	0.498	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.1	170.8	-62.1	-179.7	176.6	-169.3	-0.9	109.3	W80 T81 E83	W80-R155 CarbonylContact C-O 3.48Å; W80-R155 VanDerWaalsContact CA-O 3.29Å; W80-R155 WeakPolarHBondContact CA-O 3.49Å; T81-R155 PolarHBondContact N-O 3.02Å; T81-R155 PolarHBondContact O-N 2.98Å; E83-R155 IonicContact OE1-CZ 3.4Å; E83-R155 IonicContact OE1-NE 2.68Å; E83-R155 PolarHBondContact OE1-NE 2.78Å; E83-R155 IonicContact OE1-NH2 2.7Å; E83-R155 PolarHBondContact OE1-NH2 2.82Å; E83-R155 WeakPolarHBondContact OE2-CG 3.4Å; E83-R155 IonicContact OE2-CZ 3.79Å; E83-R155 IonicContact OE2-NE 3.3Å; E83-R155 PolarHBondContact OE2-NE 2.88Å; E83-R155 IonicContact OE2-NH2 2.79Å
156	L	76.6	Confident	64.3	Low	3 Å²	3	65.5 Å²	65.5	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.6	178.3	166.9	64.8	0	0	0	111	I79 W80 V134 P137 L140 E158	I79-L156 CarbonylContact O-C 3.46Å; I79-L156 WeakPolarHBondContact O-CA 3.23Å; I79-L156 WeakPolarHBondContact O-CD1 3.32Å; W80-L156 HydrophobicContact CD2-CB 4.38Å; W80-L156 HydrophobicContact CD2-CD1 3.9Å; W80-L156 HydrophobicContact CE3-CB 3.93Å; W80-L156 HydrophobicContact CE3-CD1 4.28Å; W80-L156 HydrophobicContact CE3-CD2 4.38Å; W80-L156 HydrophobicContact CE3-CG 4.42Å; W80-L156 HydrophobicContact CG-CD1 4.25Å; W80-L156 HydrophobicContact CH2-CD2 3.84Å; W80-L156 HydrophobicContact CZ2-CD1 4.26Å; W80-L156 HydrophobicContact CZ2-CD2 4.11Å; W80-L156 HydrophobicContact CZ3-CB 4.16Å; W80-L156 HydrophobicContact CZ3-CD2 3.97Å; W80-L156 HydrophobicContact CZ3-CG 4.48Å; V134-L156 HydrophobicContact CB-CB 4.12Å; V134-L156 HydrophobicContact CB-CD2 3.87Å; V134-L156 HydrophobicContact CB-CG 3.92Å; V134-L156 HydrophobicContact CG1-CD2 4.12Å; V134-L156 HydrophobicContact CG2-CD2 3.85Å; V134-L156 HydrophobicContact CG2-CG 3.89Å; V134-L156 PolarHBondContact N-O 3.39Å; P137-L156 HydrophobicContact CB-CB 3.88Å; L140-L156 HydrophobicContact CD1-CD2 3.64Å; L156-E158 HydrophobicContact CD1-CG 4.2Å; L156-E158 HydrophobicContact CG-CG 4.42Å
157	Q	78	Confident	65.4	Low	40 Å²	40	61 Å²	61	19%	0.187	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.3	174.2	-179.3	176.7	-0.1	0	0	109.2	I79 R132 I133	I79-Q157 WeakPolarHBondContact CA-O 3.15Å; I79-Q157 WeakPolarHBondContact CB-O 3.49Å; I79-Q157 PolarHBondContact N-O 2.8Å; I79-Q157 PolarHBondContact O-N 3.11Å; R132-Q157 CarbonylContact O-C 3.59Å; R132-Q157 WeakPolarHBondContact O-CA 3.32Å; I133-Q157 HydrophobicContact CG1-CG 4.3Å
158	E	82.8	Confident	66.4	Low	6 Å²	6	56 Å²	56	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.9	175.2	-57.7	-171.2	121.3	0	0	110.5	K60 I76 C77 S78 R132 V134 L156	K60-E158 IonicContact NZ-OE1 2.65Å; K60-E158 PolarHBondContact NZ-OE1 2.77Å; I76-E158 HydrophobicContact CG2-CB 4.14Å; C77-E158 CarbonylContact O-C 3.43Å; C77-E158 VanDerWaalsContact O-CA 3.3Å; C77-E158 WeakPolarHBondContact O-CA 3.2Å; S78-E158 PolarHBondContact OG-OE1 3.08Å; R132-E158 HydrophobicContact CB-CB 4.43Å; R132-E158 PolarHBondContact N-O 3Å; R132-E158 IonicContact NH1-OE2 3.32Å; R132-E158 PolarHBondContact NH1-OE2 2.89Å; R132-E158 PolarHBondContact O-N 2.82Å; V134-E158 HydrophobicContact CG2-CG 4.25Å; L156-E158 HydrophobicContact CD1-CG 4.2Å; L156-E158 HydrophobicContact CG-CG 4.42Å
159	V	79.6	Confident	67.2	Low	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.1	169.1	-167.9	0	0	0	0	108.3	I76 C77 I79 V101 R129 Q130 F131 Y161	I76-V159 WeakPolarHBondContact CA-O 3.12Å; C77-V159 HydrophobicContact CB-CB 4.42Å; C77-V159 PolarHBondContact N-O 3.17Å; C77-V159 PolarHBondContact O-N 3.5Å; I79-V159 HydrophobicContact CD1-CG2 4.37Å; V101-V159 HydrophobicContact CB-CG2 4Å; V101-V159 HydrophobicContact CG1-CB 4.43Å; V101-V159 HydrophobicContact CG1-CG2 4.07Å; V101-V159 HydrophobicContact CG2-CG2 3.67Å; R129-V159 HydrophobicContact CG-CG1 3.77Å; Q130-V159 WeakPolarHBondContact O-CA 3.09Å; F131-V159 HydrophobicContact CD1-CB 4.4Å; F131-V159 HydrophobicContact CD1-CG1 4.22Å; F131-V159 HydrophobicContact CD1-CG2 3.61Å; F131-V159 HydrophobicContact CE1-CG1 4.23Å; F131-V159 HydrophobicContact CE1-CG2 3.62Å; V159-Y161 HydrophobicContact CB-CE2 3.82Å; V159-Y161 HydrophobicContact CG1-CD2 4.18Å; V159-Y161 HydrophobicContact CG1-CE1 4.44Å; V159-Y161 HydrophobicContact CG1-CE2 3.5Å; V159-Y161 VanDerWaalsContact CG1-CE2 3.5Å
160	I	80.1	Confident	68.5	Low	27 Å²	27	44.9 Å²	44.9	14%	0.138	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.5	-178.4	-55.8	171.4	0	0	0	107.5	I74 I76 R129 Q130	I74-I160 HydrophobicContact CG2-CG2 4.48Å; I76-I160 HydrophobicContact CG1-CG1 4.3Å; I76-I160 HydrophobicContact CG1-CG2 4.49Å; I76-I160 HydrophobicContact CG2-CG1 4.2Å; R129-I160 CarbonylContact C-O 3.58Å; Q130-I160 HydrophobicContact CB-CB 4.43Å; Q130-I160 PolarHBondContact N-O 2.89Å; Q130-I160 PolarHBondContact O-N 3.48Å
161	Y	78.9	Confident	69.6	Low	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.2	-179.9	-68.2	-93.3	0	0	0	107.7	F75 C77 V101 L103 R129 V159 D1236 A1237 A1238	F75-Y161 HydrophobicContact CD1-CD2 4.1Å; F75-Y161 PolarHBondContact O-N 3.4Å; C77-Y161 HydrophobicContact CB-CE2 4.23Å; V101-Y161 WeakPolarHBondContact CG1-OH 3.48Å; V101-Y161 PolarHBondContact O-OH 3.11Å; L103-Y161 HydrophobicContact CB-CE1 4.05Å; L103-Y161 HydrophobicContact CD2-CD1 3.38Å; L103-Y161 HydrophobicContact CD2-CD2 3.85Å; L103-Y161 HydrophobicContact CD2-CE1 3.55Å; L103-Y161 HydrophobicContact CD2-CE2 4.01Å; L103-Y161 HydrophobicContact CD2-CG 3.53Å; L103-Y161 HydrophobicContact CG-CE1 4.47Å; R129-Y161 HydrophobicContact CG-CD1 4.12Å; R129-Y161 HydrophobicContact CG-CE1 4.04Å; V159-Y161 HydrophobicContact CB-CE2 3.82Å; V159-Y161 HydrophobicContact CG1-CD2 4.18Å; V159-Y161 HydrophobicContact CG1-CE1 4.44Å; V159-Y161 HydrophobicContact CG1-CE2 3.5Å; V159-Y161 VanDerWaalsContact CG1-CE2 3.5Å; Y161-D1236 WeakPolarHBondContact CD1-O 3.4Å; Y161-A1237 HydrophobicContact CD1-CB 4.24Å; Y161-A1238 CarbonylContact C-O 3.59Å; Y161-A1238 CarbonylContact O-C 3.53Å; Y161-A1238 PolarHBondContact O-N 2.04Å
162	K	75.1	Confident	71.3	Confident	57 Å²	57	37 Å²	37	25%	0.248	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	102	177.3	-165.7	-109	165.9	-161	0	119.8	C127 T128 D164 A1237 A1238 Q1239	C127-K162 CarbonylContact C-O 3.58Å; C127-K162 WeakPolarHBondContact CA-O 3.46Å; T128-K162 PolarHBondContact N-O 2.77Å; T128-K162 VanDerWaalsContact O-CA 3.32Å; T128-K162 WeakPolarHBondContact O-CA 3.29Å; T128-K162 WeakPolarHBondContact O-CB 3.23Å; T128-K162 PolarHBondContact O-N 3.25Å; T128-K162 WeakPolarHBondContact OG1-CD 3.37Å; T128-K162 PolarHBondContact OG1-O 3.17Å; K162-D164 IonicContact NZ-OD1 3.2Å; K162-D164 PolarHBondContact NZ-OD1 2.88Å; K162-D164 IonicContact NZ-OD2 3.58Å; K162-D164 PolarHBondContact NZ-OD2 3.47Å; K162-A1237 VanDerWaalsContact C-CB 3.46Å; K162-A1238 VanDerWaalsContact CA-C 3.49Å; K162-A1238 WeakPolarHBondContact CA-O 3.25Å; K162-Q1239 HydrophobicContact CG-CB 4.04Å; K162-Q1239 HydrophobicContact CG-CG 4.37Å
163	L	75.1	Confident	72.8	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-169.3	178.4	-131.3	72.6	0	0	0	109.3	L125 Q126 A166 W174 A1237 A1238 Q1239	L125-L163 HydrophobicContact CD1-CD1 4.03Å; L125-L163 HydrophobicContact CD1-CD2 3.93Å; L125-L163 HydrophobicContact CD1-CG 4.03Å; L125-L163 HydrophobicContact CD2-CD1 4.09Å; L125-L163 HydrophobicContact CG-CD1 3.92Å; L125-L163 HydrophobicContact CG-CG 4.19Å; Q126-L163 CarbonylContact O-C 3.6Å; Q126-L163 WeakPolarHBondContact O-CA 3.28Å; L163-A166 HydrophobicContact CD2-CB 4.48Å; L163-W174 HydrophobicContact CD1-CH2 4.03Å; L163-A1237 VanDerWaalsContact CD1-C 3.43Å; L163-A1237 WeakPolarHBondContact CD1-O 3.01Å; L163-A1238 VanDerWaalsContact N-C 3.26Å; L163-Q1239 HydrophobicContact CB-CG 3.66Å; L163-Q1239 VanDerWaalsContact CB-OE1 3.24Å; L163-Q1239 WeakPolarHBondContact O-CG 2.99Å
164	D	66.9	Low	74.1	Confident	37 Å²	37	33.2 Å²	33.2	20%	0.198	17%	0.171	C	C	.	.	S	Bend	trans	-141.5	-25.7	156.6	-93	-61	0	0	0	115.2	Q126 K162 R303 Q1239	Q126-D164 HydrophobicContact CB-CB 4.15Å; Q126-D164 HydrophobicContact CG-CB 4.33Å; Q126-D164 PolarHBondContact O-N 2.89Å; K162-D164 IonicContact NZ-OD1 3.2Å; K162-D164 PolarHBondContact NZ-OD1 2.88Å; K162-D164 IonicContact NZ-OD2 3.58Å; K162-D164 PolarHBondContact NZ-OD2 3.47Å; D164-R303 IonicContact OD1-NH2 2.75Å; D164-Q1239 PolarHBondContact O-NE2 3.24Å; D164-Q1239 VanDerWaalsContact O-NE2 3.09Å
165	I	65.6	Low	75	Confident	60 Å²	60	31.4 Å²	31.4	31%	0.308	16%	0.164	S	C	.	.			trans	-138	107.3	179.8	-54.2	-179.7	0	0	0	110.2	T167	I165-T167 HydrophobicContact CG2-CG2 4.45Å
166	A	68.4	Low	75.8	Confident	2 Å²	2	25.1 Å²	25.1	2%	0.017	14%	0.14	C	C	.	.			trans	-68.7	139.4	169.9	0	0	0	0	0	111.3	V67 A69 G70 E71 L163 V190	V67-A166 HydrophobicContact CG2-CB 3.79Å; A69-A166 WeakPolarHBondContact CA-O 3.1Å; G70-A166 PolarHBondContact N-O 3.25Å; E71-A166 VanDerWaalsContact O-CB 3.23Å; E71-A166 WeakPolarHBondContact O-CB 3.25Å; E71-A166 PolarHBondContact O-N 3.14Å; L163-A166 HydrophobicContact CD2-CB 4.48Å; A166-V190 HydrophobicContact CB-CG1 4.5Å; A166-V190 HydrophobicContact CB-CG2 4.43Å
167	T	67.9	Low	76	Confident	36 Å²	36	26 Å²	26	22%	0.221	15%	0.146	C	C	.	.			trans	-129.4	165.4	179.7	68.6	0	0	0	0	110.6	I165 A169 S170 V190	I165-T167 HydrophobicContact CG2-CG2 4.45Å; T167-A169 PolarHBondContact O-N 2.72Å; T167-A169 PolarHBondContact OG1-N 3.31Å; T167-S170 PolarHBondContact N-OG 3.4Å; T167-S170 VanDerWaalsContact N-OG 3.14Å; T167-S170 PolarHBondContact O-N 3.31Å; T167-S170 PolarHBondContact O-OG 3.07Å; T167-V190 WeakPolarHBondContact O-CG2 3.4Å
168	T	67.7	Low	76	Confident	50 Å²	50	25.4 Å²	25.4	31%	0.307	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15	176.1	52	0	0	0	0	113.6	P223	T168-P223 HydrophobicContact CG2-CG 4.34Å
169	A	64.4	Low	75.3	Confident	33 Å²	33	26.9 Å²	26.9	27%	0.273	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.1	174.1	0	0	0	0	0	113.6	S108 T167 A171	S108-A169 VanDerWaalsContact CB-O 3.28Å; S108-A169 WeakPolarHBondContact CB-O 3.19Å; S108-A169 PolarHBondContact OG-O 2.96Å; T167-A169 PolarHBondContact O-N 2.72Å; T167-A169 PolarHBondContact OG1-N 3.31Å; A169-A171 PolarHBondContact O-N 2.91Å
170	S	69.8	Low	74.8	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.007	20%	0.199	C	C	.	.	S	Bend	trans	-83.2	8.9	180	67.3	0	0	0	0	114.4	T167	T167-S170 PolarHBondContact N-OG 3.4Å; T167-S170 VanDerWaalsContact N-OG 3.14Å; T167-S170 PolarHBondContact O-N 3.31Å; T167-S170 PolarHBondContact O-OG 3.07Å
171	A	75	Confident	74.6	Confident	34 Å²	34	33.5 Å²	33.5	28%	0.281	21%	0.208	S	C	.	.			trans	-84.7	136.3	177.7	0	0	0	0	0	112	P106 A169 L188 V190	P106-A171 WeakPolarHBondContact CG-O 3.42Å; A169-A171 PolarHBondContact O-N 2.91Å; A171-L188 CarbonylContact C-O 3.47Å; A171-L188 WeakPolarHBondContact CA-O 3.39Å; A171-L188 WeakPolarHBondContact CB-O 3.49Å; A171-V190 HydrophobicContact CB-CB 4.48Å; A171-V190 HydrophobicContact CB-CG2 4.18Å
172	G	80.6	Confident	74.6	Confident	15 Å²	15	40.8 Å²	40.8	16%	0.155	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.7	-155.6	-179.9	0	0	0	0	0	113.2	W174 E187 L188	G172-W174 VanDerWaalsContact O-CD1 3.31Å; G172-E187 CarbonylContact O-C 3.55Å; G172-E187 WeakPolarHBondContact O-CA 2.97Å; G172-L188 PolarHBondContact N-O 3.02Å; G172-L188 PolarHBondContact O-N 2.03Å
173	F	83.5	Confident	75	Confident	120 Å²	120	38.7 Å²	38.7	53%	0.526	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.8	-167.8	-68	-81.9	0	0	0	115.3	C105 P106 L186 E187	C105-F173 CarbonylContact C-O 3.53Å; C105-F173 WeakPolarHBondContact CA-O 3.05Å; P106-F173 VanDerWaalsContact CD-O 3.22Å; P106-F173 WeakPolarHBondContact CD-O 3.15Å; P106-F173 VanDerWaalsContact N-O 3.15Å; F173-L186 CarbonylContact C-O 3.57Å; F173-L186 WeakPolarHBondContact CA-O 3.45Å; F173-E187 HydrophobicContact CD1-CB 3.92Å; F173-E187 HydrophobicContact CD1-CG 4.38Å; F173-E187 HydrophobicContact CE1-CB 3.7Å; F173-E187 HydrophobicContact CE1-CG 4.08Å; F173-E187 HydrophobicContact CZ-CB 4.27Å; F173-E187 HydrophobicContact CZ-CG 4.15Å
174	W	85.2	Confident	75.3	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.4	-177.4	-64.4	64.8	0	0	0	111.5	W55 F75 L103 F104 L163 G172 S185 L186 L188 D1236 A1237	W55-W174 HydrophobicContact CH2-CB 4.33Å; W55-W174 AromaticContact CH2-CD1 3.93Å; W55-W174 AromaticContact CH2-CD2 3.61Å; W55-W174 HydrophobicContact CH2-CD2 3.61Å; W55-W174 AromaticContact CH2-CE2 3.86Å; W55-W174 HydrophobicContact CH2-CE3 4Å; W55-W174 AromaticContact CH2-CG 3.74Å; W55-W174 HydrophobicContact CH2-CG 3.74Å; W55-W174 HydrophobicContact CH2-CZ2 4.5Å; W55-W174 HydrophobicContact CZ2-CB 3.79Å; W55-W174 AromaticContact CZ2-CD1 3.61Å; W55-W174 AromaticContact CZ2-CD2 3.94Å; W55-W174 HydrophobicContact CZ2-CD2 3.94Å; W55-W174 AromaticContact CZ2-CG 3.52Å; W55-W174 HydrophobicContact CZ2-CG 3.52Å; F75-W174 HydrophobicContact CD2-CB 3.94Å; F75-W174 HydrophobicContact CE2-CB 3.61Å; F75-W174 HydrophobicContact CZ-CB 4.45Å; L103-W174 HydrophobicContact CD1-CE3 4.41Å; L103-W174 HydrophobicContact CD2-CE3 4.31Å; L103-W174 HydrophobicContact CD2-CZ3 4.34Å; L103-W174 HydrophobicContact CG-CE3 4.46Å; F104-W174 VanDerWaalsContact O-CA 3.22Å; F104-W174 WeakPolarHBondContact O-CA 3.5Å; L163-W174 HydrophobicContact CD1-CH2 4.03Å; G172-W174 VanDerWaalsContact O-CD1 3.31Å; W174-S185 CarbonylContact O-C 3.43Å; W174-S185 WeakPolarHBondContact O-CA 3.45Å; W174-L186 PolarHBondContact N-O 2.79Å; W174-L186 PolarHBondContact O-N 3Å; W174-L188 HydrophobicContact CZ2-CD2 4.4Å; W174-D1236 WeakPolarHBondContact CH2-OD1 3.18Å; W174-D1236 VanDerWaalsContact CZ3-CG 3.47Å; W174-D1236 WeakPolarHBondContact CZ3-OD1 3.29Å; W174-D1236 WeakPolarHBondContact CZ3-OD2 3.16Å; W174-A1237 WeakPolarHBondContact CH2-O 3.29Å; W174-A1237 WeakPolarHBondContact CZ3-O 3.23Å
175	G	85.2	Confident	75.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	166.6	-178.4	0	0	0	0	0	112.1	L103 F104	L103-G175 CarbonylContact C-O 3.54Å; L103-G175 WeakPolarHBondContact CA-O 3.24Å; L103-G175 WeakPolarHBondContact CD1-O 3.3Å; F104-G175 WeakPolarHBondContact CB-O 3.39Å; F104-G175 WeakPolarHBondContact CD2-O 3.09Å; F104-G175 PolarHBondContact N-O 2.77Å; F104-G175 PolarHBondContact O-N 2.91Å
176	C	85.1	Confident	76.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	164.7	-176.6	63.8	0	0	0	0	115.1	C77 V101 F102 L103 R182 S183	C77-C176 HydrophobicContact CB-CB 3.77Å; C77-C176 WeakPolarHBondContact CB-SG 3.1Å; C77-C176 WeakPolarHBondContact SG-CB 3.45Å; C77-C176 CovalentContact SG-SG 2.03Å; C77-C176 PolarHBondContact SG-SG 2.74Å; V101-C176 HydrophobicContact CG1-CB 4.38Å; F102-C176 CarbonylContact O-C 3.56Å; F102-C176 VanDerWaalsContact O-CA 3.22Å; F102-C176 WeakPolarHBondContact O-CA 3.33Å; L103-C176 HydrophobicContact CD1-CB 4.47Å; C176-R182 WeakPolarHBondContact O-CA 3.34Å; C176-S183 PolarHBondContact N-OG 3.01Å; C176-S183 PolarHBondContact O-N 2.82Å; C176-S183 PolarHBondContact O-OG 2.9Å
177	T	81.5	Confident	77.6	Confident	22 Å²	22	42.3 Å²	42.3	14%	0.135	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.4	169.6	61	0	0	0	0	112.4	V101 F102 F104 Y181 R182	V101-T177 WeakPolarHBondContact CA-O 3.34Å; F102-T177 WeakPolarHBondContact CB-OG1 3.29Å; F102-T177 PolarHBondContact N-O 3Å; F102-T177 PolarHBondContact O-N 2.91Å; F104-T177 HydrophobicContact CD2-CG2 4.48Å; F104-T177 HydrophobicContact CE2-CG2 3.45Å; F104-T177 VanDerWaalsContact CE2-CG2 3.45Å; F104-T177 HydrophobicContact CZ-CG2 3.94Å; T177-Y181 CarbonylContact C-O 3.56Å; T177-Y181 WeakPolarHBondContact CA-O 3.01Å; T177-Y181 WeakPolarHBondContact CB-O 3.04Å; T177-Y181 VanDerWaalsContact CG2-O 3.27Å; T177-Y181 WeakPolarHBondContact CG2-O 3.43Å; T177-R182 HydrophobicContact CG2-CB 3.61Å; T177-R182 HydrophobicContact CG2-CG 3.68Å
178	Y	78.2	Confident	78.3	Confident	27 Å²	27	40.8 Å²	40.8	11%	0.106	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	137	175.3	168.5	-93.7	0	0	0	108.6	I49 I79 T81 Q99 V101 G180 Y181	I49-Y178 HydrophobicContact CD1-CD1 4.47Å; I49-Y178 HydrophobicContact CD1-CE1 4.09Å; I49-Y178 HydrophobicContact CG2-CD1 3.89Å; I49-Y178 HydrophobicContact CG2-CE1 4.14Å; I79-Y178 HydrophobicContact CD1-CD1 4.31Å; I79-Y178 HydrophobicContact CD1-CD2 3.92Å; I79-Y178 HydrophobicContact CD1-CE2 4.46Å; I79-Y178 HydrophobicContact CD1-CG 3.78Å; I79-Y178 HydrophobicContact CG1-CG 4.37Å; I79-Y178 HydrophobicContact CG2-CD1 3.51Å; I79-Y178 HydrophobicContact CG2-CE1 3.66Å; I79-Y178 HydrophobicContact CG2-CG 4.12Å; T81-Y178 HydrophobicContact CG2-CE1 4.46Å; Q99-Y178 HydrophobicContact CB-CD2 3.94Å; Q99-Y178 HydrophobicContact CB-CE2 3.38Å; Q99-Y178 WeakPolarHBondContact O-CD2 3.43Å; Q99-Y178 VanDerWaalsContact O-CE2 3.26Å; Q99-Y178 WeakPolarHBondContact O-CE2 3.41Å; V101-Y178 HydrophobicContact CG2-CD2 3.64Å; V101-Y178 HydrophobicContact CG2-CE2 4.43Å; V101-Y178 HydrophobicContact CG2-CG 4.35Å; Y178-G180 PolarHBondContact O-N 2.99Å; Y178-Y181 PolarHBondContact N-O 2.99Å; Y178-Y181 VanDerWaalsContact N-O 3.11Å; Y178-Y181 PolarHBondContact O-N 2.85Å
179	G	67.7	Low	78.8	Confident	38 Å²	38	41.2 Å²	41.2	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	21.8	179.7	0	0	0	0	0	115.5	Y181	G179-Y181 WeakPolarHBondContact O-CD2 3.49Å
180	G	69.4	Low	79.2	Confident	81 Å²	81	40.6 Å²	40.6	84%	0.835	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-1.3	-174.7	0	0	0	0	0	116	Y178	Y178-G180 PolarHBondContact O-N 2.99Å
181	Y	75	Confident	79	Confident	84 Å²	84	48.4 Å²	48.4	33%	0.329	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	154.8	172.3	-61.6	-93.7	0	0	0	110.4	I49 I51 T177 Y178 G179	I49-Y181 HydrophobicContact CB-CD2 3.84Å; I49-Y181 HydrophobicContact CB-CE2 3.8Å; I49-Y181 HydrophobicContact CB-CG 4.42Å; I49-Y181 HydrophobicContact CD1-CD2 4.25Å; I49-Y181 HydrophobicContact CD1-CE2 4.01Å; I49-Y181 HydrophobicContact CG1-CE2 4.23Å; I49-Y181 HydrophobicContact CG2-CD2 3.91Å; I49-Y181 HydrophobicContact CG2-CE2 4.38Å; I49-Y181 HydrophobicContact CG2-CG 4.35Å; I51-Y181 WeakPolarHBondContact CD1-O 3.22Å; T177-Y181 CarbonylContact C-O 3.56Å; T177-Y181 WeakPolarHBondContact CA-O 3.01Å; T177-Y181 WeakPolarHBondContact CB-O 3.04Å; T177-Y181 VanDerWaalsContact CG2-O 3.27Å; T177-Y181 WeakPolarHBondContact CG2-O 3.43Å; Y178-Y181 PolarHBondContact N-O 2.99Å; Y178-Y181 VanDerWaalsContact N-O 3.11Å; Y178-Y181 PolarHBondContact O-N 2.85Å; G179-Y181 WeakPolarHBondContact O-CD2 3.49Å
182	R	78.7	Confident	78.3	Confident	153 Å²	153	48.9 Å²	48.9	58%	0.577	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.8	-176.1	-172.3	165.1	173.3	159.3	1.7	112.7	C176 T177	C176-R182 WeakPolarHBondContact O-CA 3.34Å; T177-R182 HydrophobicContact CG2-CB 3.61Å; T177-R182 HydrophobicContact CG2-CG 3.68Å
183	S	84.5	Confident	77.5	Confident	13 Å²	13	53.5 Å²	53.5	9%	0.091	27%	0.273	C	S	.	.			trans	-82.5	174.1	175	76.4	0	0	0	0	113.7	A53 C176	A53-S183 WeakPolarHBondContact CB-OG 3.26Å; C176-S183 PolarHBondContact N-OG 3.01Å; C176-S183 PolarHBondContact O-N 2.82Å; C176-S183 PolarHBondContact O-OG 2.9Å
184	N	81.8	Confident	76.6	Confident	71 Å²	71	48.8 Å²	48.8	38%	0.38	26%	0.255	S	S	.	.			trans	-57.6	162.3	157.1	56.6	-57	0	0	0	112.3	A53	A53-N184 PolarHBondContact N-OD1 3.14Å; A53-N184 PolarHBondContact O-ND2 2.74Å
185	S	79.4	Confident	75.8	Confident	52 Å²	52	49.5 Å²	49.5	36%	0.364	26%	0.261	S	S	.	.			trans	-120.9	146.7	178.8	-54.7	0	0	0	0	112.3	W174	W174-S185 CarbonylContact O-C 3.43Å; W174-S185 WeakPolarHBondContact O-CA 3.45Å
186	L	84	Confident	75.1	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.6	-166.8	-48.3	172.8	0	0	0	110.9	A53 W55 T63 F75 F173 W174	A53-L186 HydrophobicContact CB-CD1 4.48Å; W55-L186 HydrophobicContact CG-CD1 4.29Å; T63-L186 HydrophobicContact CG2-CD2 4.47Å; F75-L186 HydrophobicContact CD2-CD1 4.43Å; F75-L186 HydrophobicContact CE2-CD1 3.93Å; F173-L186 CarbonylContact C-O 3.57Å; F173-L186 WeakPolarHBondContact CA-O 3.45Å; W174-L186 PolarHBondContact N-O 2.79Å; W174-L186 PolarHBondContact O-N 3Å
187	E	84.3	Confident	74.4	Confident	54 Å²	54	51.1 Å²	51.1	25%	0.252	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.8	-173.7	-167.7	177	-164.1	0	0	113.7	T63 Q64 V65 G172 F173	T63-E187 PolarHBondContact O-N 3.39Å; Q64-E187 CarbonylContact C-O 3.52Å; Q64-E187 VanDerWaalsContact CA-O 3.27Å; Q64-E187 WeakPolarHBondContact CA-O 3.19Å; Q64-E187 HydrophobicContact CB-CB 4.27Å; Q64-E187 HydrophobicContact CG-CB 4.12Å; Q64-E187 HydrophobicContact CG-CG 4.47Å; Q64-E187 PolarHBondContact NE2-OE2 3.38Å; V65-E187 PolarHBondContact N-O 2.83Å; G172-E187 CarbonylContact O-C 3.55Å; G172-E187 WeakPolarHBondContact O-CA 2.97Å; F173-E187 HydrophobicContact CD1-CB 3.92Å; F173-E187 HydrophobicContact CD1-CG 4.38Å; F173-E187 HydrophobicContact CE1-CB 3.7Å; F173-E187 HydrophobicContact CE1-CG 4.08Å; F173-E187 HydrophobicContact CZ-CB 4.27Å; F173-E187 HydrophobicContact CZ-CG 4.15Å
188	L	83.3	Confident	74.2	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.6	173.7	179.4	59.6	0	0	0	110.8	W55 V65 V67 A171 G172 W174 V190	W55-L188 HydrophobicContact CH2-CB 4.11Å; W55-L188 HydrophobicContact CH2-CD2 3.83Å; W55-L188 HydrophobicContact CH2-CG 4.42Å; W55-L188 HydrophobicContact CZ2-CB 3.85Å; W55-L188 HydrophobicContact CZ2-CD2 4.44Å; W55-L188 HydrophobicContact CZ3-CD2 4.32Å; V65-L188 HydrophobicContact CB-CD1 4.22Å; V65-L188 HydrophobicContact CG1-CD1 3.65Å; V67-L188 HydrophobicContact CG1-CD1 4.24Å; V67-L188 HydrophobicContact CG2-CD1 4.14Å; A171-L188 CarbonylContact C-O 3.47Å; A171-L188 WeakPolarHBondContact CA-O 3.39Å; A171-L188 WeakPolarHBondContact CB-O 3.49Å; G172-L188 PolarHBondContact N-O 3.02Å; G172-L188 PolarHBondContact O-N 2.03Å; W174-L188 HydrophobicContact CZ2-CD2 4.4Å; L188-V190 HydrophobicContact CG-CG2 4.47Å
189	I	79	Confident	74.5	Confident	58 Å²	58	51.2 Å²	51.2	30%	0.297	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.7	179.6	-59.2	174.6	0	0	0	109.7	Q64 V65 T66 V67	Q64-I189 HydrophobicContact CG-CD1 3.91Å; Q64-I189 HydrophobicContact CG-CG1 4.45Å; V65-I189 PolarHBondContact O-N 2.94Å; T66-I189 CarbonylContact C-O 3.59Å; T66-I189 VanDerWaalsContact CA-O 3.3Å; T66-I189 WeakPolarHBondContact CA-O 3.39Å; T66-I189 HydrophobicContact CG2-CB 4.26Å; T66-I189 HydrophobicContact CG2-CG2 4.16Å; V67-I189 PolarHBondContact N-O 2.85Å
190	V	73.2	Confident	75.4	Confident	20 Å²	20	52.7 Å²	52.7	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.8	-178.5	-172.3	0	0	0	0	111.7	V67 A69 A166 T167 A171 L188	V67-V190 HydrophobicContact CG2-CB 4.39Å; V67-V190 HydrophobicContact CG2-CG1 4.31Å; V67-V190 HydrophobicContact CG2-CG2 3.81Å; V67-V190 CarbonylContact O-C 3.52Å; V67-V190 WeakPolarHBondContact O-CA 3.47Å; A69-V190 HydrophobicContact CB-CG1 4.11Å; A166-V190 HydrophobicContact CB-CG1 4.5Å; A166-V190 HydrophobicContact CB-CG2 4.43Å; T167-V190 WeakPolarHBondContact O-CG2 3.4Å; A171-V190 HydrophobicContact CB-CB 4.48Å; A171-V190 HydrophobicContact CB-CG2 4.18Å; L188-V190 HydrophobicContact CG-CG2 4.47Å
191	R	64.3	Low	76.2	Confident	165 Å²	165	50.3 Å²	50.3	62%	0.623	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.4	179.9	-62.6	-175.2	179.5	-176	3	112.5	T66 V67 Q68 A69	T66-R191 HydrophobicContact CG2-CG 4.18Å; V67-R191 PolarHBondContact O-N 3.23Å; Q68-R191 CarbonylContact C-O 3.55Å; A69-R191 WeakPolarHBondContact CB-O 3.27Å; A69-R191 PolarHBondContact N-O 2.95Å
192	D	60.8	Low	76.7	Confident	44 Å²	44	49.7 Å²	49.7	24%	0.235	25%	0.253	C	S	.	.			trans	-71.1	133.8	-171.5	-161.6	-14.1	0	0	0	113.9	S222 P223 K224	D192-S222 WeakPolarHBondContact OD1-CB 3.46Å; D192-S222 PolarHBondContact OD1-OG 2.95Å; D192-S222 PolarHBondContact OD2-OG 3.42Å; D192-P223 WeakPolarHBondContact OD2-CD 3.33Å; D192-K224 HydrophobicContact CB-CD 4.23Å; D192-K224 VanDerWaalsContact OD2-CB 3.26Å; D192-K224 WeakPolarHBondContact OD2-CB 3.38Å; D192-K224 VanDerWaalsContact OD2-CG 3.31Å; D192-K224 WeakPolarHBondContact OD2-CG 3.47Å; D192-K224 PolarHBondContact OD2-N 2.95Å; D192-K224 VanDerWaalsContact OD2-N 3.08Å
193	R	64.6	Low	76.8	Confident	112 Å²	112	44.9 Å²	44.9	42%	0.423	24%	0.241	S	C	.	.			trans	-156.5	140.7	178	-177.2	179.1	175.2	172.3	0.1	111.3	A195	R193-A195 PolarHBondContact O-N 2.84Å
194	P	62.8	Low	76.7	Confident	22 Å²	22	49.2 Å²	49.2	14%	0.143	27%	0.269	C	S	.	.			trans	-60.1	131.2	173.2	-25.1	35.2	0	0	0	113.9	Y228 I272 T309	P194-Y228 HydrophobicContact CB-CD1 4.36Å; P194-Y228 HydrophobicContact CB-CE1 3.68Å; P194-Y228 HydrophobicContact CG-CE1 4.05Å; P194-I272 HydrophobicContact CB-CD1 3.96Å; P194-T309 HydrophobicContact CB-CG2 4.37Å
195	A	68.4	Low	76.6	Confident	16 Å²	16	48.2 Å²	48.2	13%	0.132	26%	0.264	C	S	.	.			trans	-148.9	147.7	176.8	0	0	0	0	0	113.8	R193 A219 A220 P308	R193-A195 PolarHBondContact O-N 2.84Å; A195-A219 CarbonylContact O-C 3.52Å; A195-A219 VanDerWaalsContact O-CA 3.29Å; A195-A219 WeakPolarHBondContact O-CA 3.43Å; A195-A220 HydrophobicContact CB-CB 4.18Å; A195-A220 PolarHBondContact O-N 2.8Å; A195-P308 CarbonylContact C-O 3.53Å; A195-P308 WeakPolarHBondContact CA-O 3.49Å; A195-P308 HydrophobicContact CB-CB 3.83Å
196	L	72.3	Confident	76.5	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.7	174.1	-75.9	178	0	0	0	111.6	E218 A219 F230 C270 I272 P308 T309 R311	L196-E218 CarbonylContact C-O 3.54Å; L196-E218 WeakPolarHBondContact CA-O 3.17Å; L196-E218 WeakPolarHBondContact CD2-O 3.29Å; L196-A219 HydrophobicContact CD2-CB 3.95Å; L196-F230 HydrophobicContact CD2-CE1 3.95Å; L196-C270 VanDerWaalsContact CD1-O 3.31Å; L196-C270 WeakPolarHBondContact CD1-O 3.19Å; L196-I272 HydrophobicContact CD2-CD1 4.2Å; L196-I272 HydrophobicContact CD2-CG1 4.37Å; L196-I272 HydrophobicContact CD2-CG2 3.69Å; L196-I272 HydrophobicContact CG-CD1 3.98Å; L196-I272 HydrophobicContact CG-CG1 4.02Å; L196-I272 HydrophobicContact CG-CG2 4.22Å; L196-P308 WeakPolarHBondContact CB-O 3.44Å; L196-P308 PolarHBondContact N-O 3.34Å; L196-T309 VanDerWaalsContact CD1-O 3.32Å; L196-T309 WeakPolarHBondContact CD1-O 3.48Å; L196-R311 HydrophobicContact CB-CG 3.6Å; L196-R311 HydrophobicContact CD1-CB 4.11Å; L196-R311 HydrophobicContact CD1-CG 3.93Å; L196-R311 HydrophobicContact CG-CG 4.4Å; L196-R311 VanDerWaalsContact O-CZ 3.3Å; L196-R311 PolarHBondContact O-NE 3.17Å; L196-R311 VanDerWaalsContact O-NE 3.08Å; L196-R311 PolarHBondContact O-NH2 2.96Å
197	L	70.2	Confident	76.6	Confident	29 Å²	29	49 Å²	49	15%	0.152	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-52.2	-175.1	-58.5	173.2	0	0	0	111.8	L124 E218 A219 A220 R311	L124-L197 HydrophobicContact CD1-CD1 3.35Å; L124-L197 HydrophobicContact CD1-CD2 3.97Å; L124-L197 HydrophobicContact CD1-CG 4.29Å; L124-L197 HydrophobicContact CD2-CB 4.46Å; L124-L197 HydrophobicContact CD2-CD1 3.83Å; L124-L197 HydrophobicContact CD2-CD2 4.16Å; L124-L197 HydrophobicContact CD2-CG 4.37Å; L124-L197 HydrophobicContact CG-CD1 4.23Å; L197-E218 HydrophobicContact CB-CB 4.4Å; L197-E218 HydrophobicContact CB-CG 4.14Å; L197-E218 HydrophobicContact CD1-CG 4.01Å; L197-E218 PolarHBondContact N-O 2.77Å; L197-A219 WeakPolarHBondContact CD1-O 3.15Å; L197-A220 HydrophobicContact CD2-CB 3.95Å; L197-A220 HydrophobicContact CG-CB 4.27Å; L197-R311 PolarHBondContact O-NH1 3.46Å; L197-R311 PolarHBondContact O-NH2 3.18Å
198	S	77.3	Confident	76.4	Confident	28 Å²	28	52.1 Å²	52.1	20%	0.196	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.8	-174.6	82.3	0	0	0	0	113.1	E218	S198-E218 VanDerWaalsContact CB-OE2 3.27Å; S198-E218 WeakPolarHBondContact CB-OE2 3.39Å; S198-E218 PolarHBondContact O-N 2.75Å; S198-E218 VanDerWaalsContact O-N 3.1Å; S198-E218 VanDerWaalsContact OG-CB 3.27Å; S198-E218 WeakPolarHBondContact OG-CB 3.33Å; S198-E218 PolarHBondContact OG-OE2 2.83Å
199	L	84.5	Confident	76.5	Confident	22 Å²	22	55.2 Å²	55.2	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	115.9	168.6	176.7	61.5	0	0	0	108.1	T216 C217 W232 C270 R311 R312 L313	L199-T216 CarbonylContact C-O 3.3Å; L199-T216 VanDerWaalsContact CA-O 3.23Å; L199-T216 WeakPolarHBondContact CA-O 3.31Å; L199-T216 WeakPolarHBondContact CD1-O 3.37Å; L199-C217 HydrophobicContact CD1-CB 3.9Å; L199-W232 HydrophobicContact CD1-CH2 3.52Å; L199-W232 HydrophobicContact CD1-CZ3 3.74Å; L199-C270 HydrophobicContact CD1-CB 4.36Å; L199-C270 HydrophobicContact CD2-CB 4.48Å; L199-R311 HydrophobicContact CB-CB 3.67Å; L199-R311 HydrophobicContact CB-CG 4.29Å; L199-R311 HydrophobicContact CD2-CB 3.69Å; L199-R311 HydrophobicContact CG-CB 4.32Å; L199-R312 VanDerWaalsContact CD2-C 3.5Å; L199-L313 HydrophobicContact CD2-CB 3.68Å; L199-L313 HydrophobicContact CG-CB 3.89Å; L199-L313 HydrophobicContact CG-CD2 4.4Å
200	T	85.8	Confident	76.6	Confident	70 Å²	70	54.4 Å²	54.4	43%	0.429	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	168.1	-168.4	60.2	0	0	0	0	112.5	L215 T216	T200-L215 CarbonylContact O-C 3.56Å; T200-L215 VanDerWaalsContact O-CA 3.29Å; T200-L215 WeakPolarHBondContact O-CA 3.38Å; T200-T216 PolarHBondContact N-O 2.78Å; T200-T216 PolarHBondContact O-N 2.86Å
201	S	86.9	Confident	77	Confident	30 Å²	30	55.7 Å²	55.7	21%	0.21	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.4	175.6	44.4	0	0	0	0	112	P203 K214	S201-P203 CarbonylContact C-O 3.48Å; S201-K214 CarbonylContact C-O 3.53Å; S201-K214 WeakPolarHBondContact CA-O 3.41Å
202	S	84.4	Confident	77.9	Confident	72 Å²	72	52.6 Å²	52.6	50%	0.503	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	121	173.1	-172.4	0	0	0	0	110.1	K214	S202-K214 PolarHBondContact N-O 3.43Å; S202-K214 PolarHBondContact O-N 2.83Å
203	P	81.7	Confident	79.1	Confident	51 Å²	51	50.5 Å²	50.5	33%	0.331	30%	0.295	S	S	.	.	S	Bend	cis	-61.5	166.9	-7.2	30.6	-38.9	0	0	0	113	S201 V207 N212	S201-P203 CarbonylContact C-O 3.48Å; P203-V207 HydrophobicContact CG-CG1 3.56Å; P203-N212 WeakPolarHBondContact CD-O 3.27Å
204	P	81.7	Confident	80.1	Confident	104 Å²	104	50.6 Å²	50.6	68%	0.675	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.2	176.9	-22.8	34.3	0	0	0	112.9
205	N	79	Confident	81.2	Confident	51 Å²	51	49.6 Å²	49.6	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-71.1	142.6	174.1	-163.8	62.3	0	0	0	111.5	L315 E316	N205-L315 WeakPolarHBondContact OD1-CA 3.37Å; N205-E316 PolarHBondContact OD1-N 2.89Å
206	P	78.4	Confident	82	Confident	62 Å²	62	50.4 Å²	50.4	40%	0.403	30%	0.295	S	S	.	.	S	Bend	cis	-84.4	154.4	-0.7	35.1	-36.3	0	0	0	113.7	E316 F318	P206-E316 HydrophobicContact CB-CB 3.84Å; P206-F318 HydrophobicContact CB-CD1 4Å; P206-F318 HydrophobicContact CB-CE1 3.53Å; P206-F318 HydrophobicContact CB-CE2 4.27Å; P206-F318 HydrophobicContact CB-CZ 3.69Å; P206-F318 HydrophobicContact CG-CE1 3.85Å; P206-F318 HydrophobicContact CG-CE2 3.81Å; P206-F318 HydrophobicContact CG-CZ 3.43Å; P206-F318 VanDerWaalsContact CG-CZ 3.43Å
207	V	85.4	Confident	82.6	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.4	-170.5	-146.8	0	0	0	0	112	P203 T211 V213 L315 E316 V317 F318	P203-V207 HydrophobicContact CG-CG1 3.56Å; V207-T211 HydrophobicContact CG1-CG2 4.28Å; V207-T211 WeakPolarHBondContact CG1-OG1 3.47Å; V207-V213 HydrophobicContact CB-CG2 4.21Å; V207-V213 HydrophobicContact CG1-CG2 3.99Å; V207-V213 HydrophobicContact CG2-CG2 3.95Å; V207-L315 HydrophobicContact CG2-CD1 4.01Å; V207-E316 PolarHBondContact N-O 3.42Å; V207-V317 CarbonylContact O-C 3.55Å; V207-V317 VanDerWaalsContact O-CA 3.32Å; V207-V317 WeakPolarHBondContact O-CA 3.37Å; V207-F318 PolarHBondContact O-N 3.03Å
208	K	81.4	Confident	83.2	Confident	121 Å²	121	51.6 Å²	51.6	53%	0.526	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.4	-180	-66.2	-178.6	-179.8	-179.9	0	112.1	T211 F318	K208-T211 HydrophobicContact CB-CG2 4.33Å; K208-T211 WeakPolarHBondContact O-CB 3.27Å; K208-T211 VanDerWaalsContact O-CG2 3.26Å; K208-T211 WeakPolarHBondContact O-CG2 3.38Å; K208-T211 PolarHBondContact O-N 3.4Å; K208-T211 PolarHBondContact O-OG1 2.83Å; K208-F318 HydrophobicContact CG-CB 4.42Å
209	I	83.9	Confident	83	Confident	68 Å²	68	50.3 Å²	50.3	35%	0.349	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	139.3	172.4	-171.5	175.9	0	0	0	112	T211 V260 P262 V317 F318 H319	I209-T211 VanDerWaalsContact C-N 3.32Å; I209-T211 PolarHBondContact O-N 2.92Å; I209-V260 WeakPolarHBondContact CA-O 3.48Å; I209-P262 HydrophobicContact CD1-CG 3.87Å; I209-V317 HydrophobicContact CB-CG1 4.32Å; I209-F318 PolarHBondContact N-O 2.8Å; I209-H319 HydrophobicContact CB-CB 4.11Å; I209-H319 HydrophobicContact CD1-CB 4.15Å; I209-H319 HydrophobicContact CG2-CB 3.95Å
210	G	81	Confident	82.2	Confident	42 Å²	42	50.2 Å²	50.2	43%	0.433	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	2.7	-180	0	0	0	0	0	115.4	V260	G210-V260 PolarHBondContact N-O 2.85Å
211	T	82.5	Confident	81	Confident	46 Å²	46	51 Å²	51	28%	0.282	30%	0.299	S	S	.	.			trans	-81.8	164	171.9	58.2	0	0	0	0	112.1	V207 K208 I209 S259 V260	V207-T211 HydrophobicContact CG1-CG2 4.28Å; V207-T211 WeakPolarHBondContact CG1-OG1 3.47Å; K208-T211 HydrophobicContact CB-CG2 4.33Å; K208-T211 WeakPolarHBondContact O-CB 3.27Å; K208-T211 VanDerWaalsContact O-CG2 3.26Å; K208-T211 WeakPolarHBondContact O-CG2 3.38Å; K208-T211 PolarHBondContact O-N 3.4Å; K208-T211 PolarHBondContact O-OG1 2.83Å; I209-T211 VanDerWaalsContact C-N 3.32Å; I209-T211 PolarHBondContact O-N 2.92Å; T211-S259 CarbonylContact O-C 3.57Å; T211-S259 WeakPolarHBondContact O-CA 3.33Å; T211-S259 PolarHBondContact O-N 3.15Å; T211-V260 WeakPolarHBondContact O-CB 3.4Å; T211-V260 WeakPolarHBondContact O-CG2 3.5Å; T211-V260 PolarHBondContact O-N 3.47Å
212	N	84.1	Confident	79.4	Confident	100 Å²	100	50.4 Å²	50.4	54%	0.535	30%	0.295	S	S	.	.			trans	-101.4	136.1	170.9	-65.7	-25.7	0	0	0	109.3	P203 L257 L258 S259	P203-N212 WeakPolarHBondContact CD-O 3.27Å; N212-L257 WeakPolarHBondContact CA-O 3.39Å; N212-L258 WeakPolarHBondContact OD1-CA 3.39Å; N212-S259 PolarHBondContact OD1-N 2.84Å
213	V	85	Confident	77.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.7	-176.7	174.6	0	0	0	0	110.4	V207 L215 T256 L257 V260 L315	V207-V213 HydrophobicContact CB-CG2 4.21Å; V207-V213 HydrophobicContact CG1-CG2 3.99Å; V207-V213 HydrophobicContact CG2-CG2 3.95Å; V213-L215 HydrophobicContact CG1-CD2 3.73Å; V213-L215 HydrophobicContact CG1-CG 4.47Å; V213-T256 WeakPolarHBondContact O-CA 3.17Å; V213-L257 HydrophobicContact CB-CB 4.48Å; V213-L257 PolarHBondContact N-O 3.33Å; V213-L257 PolarHBondContact O-N 2.75Å; V213-V260 HydrophobicContact CB-CG2 4.04Å; V213-V260 HydrophobicContact CG2-CG2 3.79Å; V213-L315 HydrophobicContact CG1-CD1 4.05Å
214	K	85	Confident	76.1	Confident	115 Å²	115	57.3 Å²	57.3	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.9	172.3	-64.1	178	-179.4	179	0	109.4	S201 S202 I254 T256	S201-K214 CarbonylContact C-O 3.53Å; S201-K214 WeakPolarHBondContact CA-O 3.41Å; S202-K214 PolarHBondContact N-O 3.43Å; S202-K214 PolarHBondContact O-N 2.83Å; K214-I254 HydrophobicContact CB-CG2 4.09Å; K214-I254 HydrophobicContact CG-CG2 4.5Å; K214-T256 HydrophobicContact CG-CG2 4.2Å
215	L	86.9	Confident	74.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.1	173.8	-50.1	-175	0	0	0	108.6	T200 V213 W232 I254 L255 Y268 L313	T200-L215 CarbonylContact O-C 3.56Å; T200-L215 VanDerWaalsContact O-CA 3.29Å; T200-L215 WeakPolarHBondContact O-CA 3.38Å; V213-L215 HydrophobicContact CG1-CD2 3.73Å; V213-L215 HydrophobicContact CG1-CG 4.47Å; L215-W232 HydrophobicContact CB-CH2 3.79Å; L215-W232 HydrophobicContact CB-CZ3 4Å; L215-W232 WeakPolarHBondContact O-CH2 3.28Å; L215-W232 WeakPolarHBondContact O-CZ2 3.04Å; L215-I254 CarbonylContact O-C 3.59Å; L215-I254 VanDerWaalsContact O-CA 3.25Å; L215-I254 WeakPolarHBondContact O-CA 3.31Å; L215-L255 HydrophobicContact CB-CB 4.41Å; L215-L255 HydrophobicContact CD1-CD2 4.4Å; L215-L255 PolarHBondContact N-O 3.2Å; L215-L255 PolarHBondContact O-N 2.02Å; L215-Y268 HydrophobicContact CD1-CD1 3.79Å; L215-Y268 HydrophobicContact CD1-CD2 4.01Å; L215-Y268 HydrophobicContact CD1-CE1 4.33Å; L215-Y268 HydrophobicContact CD1-CG 3.6Å; L215-L313 HydrophobicContact CD2-CD2 3.9Å
216	T	85.8	Confident	73.4	Confident	33 Å²	33	54.7 Å²	54.7	20%	0.202	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.9	-173.8	-57.1	0	0	0	0	110.4	L199 T200 I252 I254	L199-T216 CarbonylContact C-O 3.3Å; L199-T216 VanDerWaalsContact CA-O 3.23Å; L199-T216 WeakPolarHBondContact CA-O 3.31Å; L199-T216 WeakPolarHBondContact CD1-O 3.37Å; T200-T216 PolarHBondContact N-O 2.78Å; T200-T216 PolarHBondContact O-N 2.86Å; T216-I252 HydrophobicContact CG2-CG2 4.1Å; T216-I254 HydrophobicContact CG2-CD1 4.14Å; T216-I254 HydrophobicContact CG2-CG1 3.97Å; T216-I254 WeakPolarHBondContact OG1-CD1 3.25Å
217	C	84.3	Confident	72.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140	179.8	-175.2	0	0	0	0	111	L199 W232 I252 S253 C270	L199-C217 HydrophobicContact CD1-CB 3.9Å; C217-W232 HydrophobicContact CB-CH2 3.75Å; C217-W232 HydrophobicContact CB-CZ2 3.52Å; C217-I252 WeakPolarHBondContact O-CA 2.98Å; C217-S253 PolarHBondContact N-O 2.89Å; C217-S253 PolarHBondContact O-N 2.79Å; C217-C270 HydrophobicContact CB-CB 3.76Å; C217-C270 WeakPolarHBondContact CB-SG 3.37Å; C217-C270 WeakPolarHBondContact SG-CB 3.48Å; C217-C270 CovalentContact SG-SG 2.03Å; C217-C270 PolarHBondContact SG-SG 2.84Å
218	E	82.4	Confident	71.3	Confident	60 Å²	60	58.4 Å²	58.4	28%	0.28	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.3	-166.6	-172.7	-174.1	-163.3	0	0	112.7	L196 L197 S198 T251 I252	L196-E218 CarbonylContact C-O 3.54Å; L196-E218 WeakPolarHBondContact CA-O 3.17Å; L196-E218 WeakPolarHBondContact CD2-O 3.29Å; L197-E218 HydrophobicContact CB-CB 4.4Å; L197-E218 HydrophobicContact CB-CG 4.14Å; L197-E218 HydrophobicContact CD1-CG 4.01Å; L197-E218 PolarHBondContact N-O 2.77Å; S198-E218 VanDerWaalsContact CB-OE2 3.27Å; S198-E218 WeakPolarHBondContact CB-OE2 3.39Å; S198-E218 PolarHBondContact O-N 2.75Å; S198-E218 VanDerWaalsContact O-N 3.1Å; S198-E218 VanDerWaalsContact OG-CB 3.27Å; S198-E218 WeakPolarHBondContact OG-CB 3.33Å; S198-E218 PolarHBondContact OG-OE2 2.83Å; E218-T251 CarbonylContact C-O 3.49Å; E218-T251 VanDerWaalsContact CA-O 3.27Å; E218-T251 WeakPolarHBondContact CA-O 3.34Å; E218-I252 HydrophobicContact CG-CG1 4.21Å
219	A	73.9	Confident	70.7	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.6	-174.8	0	0	0	0	0	114.1	A195 L196 L197 Y228 F230 T251 I272	A195-A219 CarbonylContact O-C 3.52Å; A195-A219 VanDerWaalsContact O-CA 3.29Å; A195-A219 WeakPolarHBondContact O-CA 3.43Å; L196-A219 HydrophobicContact CD2-CB 3.95Å; L197-A219 WeakPolarHBondContact CD1-O 3.15Å; A219-Y228 HydrophobicContact CB-CD2 3.7Å; A219-Y228 HydrophobicContact CB-CE2 3.77Å; A219-F230 HydrophobicContact CB-CE1 4.08Å; A219-F230 HydrophobicContact CB-CZ 3.72Å; A219-T251 PolarHBondContact N-O 3.38Å; A219-T251 VanDerWaalsContact O-CB 3.29Å; A219-T251 WeakPolarHBondContact O-CB 3.19Å; A219-T251 VanDerWaalsContact O-CG2 3.29Å; A219-T251 WeakPolarHBondContact O-CG2 3.21Å; A219-I272 HydrophobicContact CB-CD1 4.33Å
220	A	66.9	Low	70.3	Confident	20 Å²	20	53.6 Å²	53.6	17%	0.165	29%	0.294	C	S	.	.			trans	-69.9	129.9	-179.5	0	0	0	0	0	111.9	A195 L197 S222 Y228	A195-A220 HydrophobicContact CB-CB 4.18Å; A195-A220 PolarHBondContact O-N 2.8Å; L197-A220 HydrophobicContact CD2-CB 3.95Å; L197-A220 HydrophobicContact CG-CB 4.27Å; A220-S222 PolarHBondContact O-N 2.93Å; A220-Y228 WeakPolarHBondContact O-CE2 3.47Å; A220-Y228 PolarHBondContact O-OH 2.84Å
221	P	60.5	Low	70.2	Confident	86 Å²	86	53.6 Å²	53.6	56%	0.558	29%	0.286	S	S	*	.			trans	-57.2	131.1	174.6	-23.7	33.3	0	0	0	112.1	T251	P221-T251 HydrophobicContact CG-CG2 4.33Å
222	S	53.9	Low	70.1	Confident	17 Å²	17	52.3 Å²	52.3	12%	0.119	28%	0.276	C	S	.	.			trans	-122.9	120.6	179.9	170.9	0	0	0	0	111	D192 A220 K224 A225 Y228	D192-S222 WeakPolarHBondContact OD1-CB 3.46Å; D192-S222 PolarHBondContact OD1-OG 2.95Å; D192-S222 PolarHBondContact OD2-OG 3.42Å; A220-S222 PolarHBondContact O-N 2.93Å; S222-K224 PolarHBondContact O-N 2.96Å; S222-K224 PolarHBondContact OG-N 2.81Å; S222-A225 PolarHBondContact O-N 3.06Å; S222-A225 PolarHBondContact OG-N 2.94Å; S222-A225 VanDerWaalsContact OG-N 3.14Å; S222-Y228 VanDerWaalsContact CB-OH 3.28Å; S222-Y228 WeakPolarHBondContact CB-OH 3.19Å
223	P	49.1	Very low	69.8	Low	97 Å²	97	53.8 Å²	53.8	63%	0.63	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.7	174	-25.2	35.2	0	0	0	114.5	T168 D192	T168-P223 HydrophobicContact CG2-CG 4.34Å; D192-P223 WeakPolarHBondContact OD2-CD 3.33Å
224	K	46.8	Very low	69.5	Low	171 Å²	171	55.4 Å²	55.4	74%	0.743	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-7.8	-178.5	-61.3	178.1	-177.3	178.9	0	114.4	D192 S222	D192-K224 HydrophobicContact CB-CD 4.23Å; D192-K224 VanDerWaalsContact OD2-CB 3.26Å; D192-K224 WeakPolarHBondContact OD2-CB 3.38Å; D192-K224 VanDerWaalsContact OD2-CG 3.31Å; D192-K224 WeakPolarHBondContact OD2-CG 3.47Å; D192-K224 PolarHBondContact OD2-N 2.95Å; D192-K224 VanDerWaalsContact OD2-N 3.08Å; S222-K224 PolarHBondContact O-N 2.96Å; S222-K224 PolarHBondContact OG-N 2.81Å
225	A	52.6	Low	68.8	Low	6 Å²	6	53.6 Å²	53.6	5%	0.05	28%	0.275	C	S	.	.			trans	-132.4	81	178.5	0	0	0	0	0	110.9	S222 W227 Y228 Q274	S222-A225 PolarHBondContact O-N 3.06Å; S222-A225 PolarHBondContact OG-N 2.94Å; S222-A225 VanDerWaalsContact OG-N 3.14Å; A225-W227 PolarHBondContact O-N 3.01Å; A225-Y228 HydrophobicContact CB-CE1 4.36Å; A225-Q274 HydrophobicContact CB-CG 4.34Å
226	P	50.8	Low	67.6	Low	95 Å²	95	55.6 Å²	55.6	62%	0.617	30%	0.296	S	S	*	.	S	Bend	trans	-69.6	3.3	-174.1	27.8	-35.1	0	0	0	114.9
227	W	57	Low	66.4	Low	144 Å²	144	57.6 Å²	57.6	55%	0.545	31%	0.308	S	S	.	.			trans	-158.3	109	-178.2	57.9	-37.4	0	0	0	110.8	A225 S275	A225-W227 PolarHBondContact O-N 3.01Å; W227-S275 VanDerWaalsContact CE2-OG 3.24Å; W227-S275 PolarHBondContact NE1-OG 3.43Å
228	Y	64.3	Low	65.3	Low	4 Å²	4	66.4 Å²	66.4	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	149.7	166.8	-61.5	-65.5	0	0	0	110.8	P194 A219 A220 S222 A225 R247 D250 I272	P194-Y228 HydrophobicContact CB-CD1 4.36Å; P194-Y228 HydrophobicContact CB-CE1 3.68Å; P194-Y228 HydrophobicContact CG-CE1 4.05Å; A219-Y228 HydrophobicContact CB-CD2 3.7Å; A219-Y228 HydrophobicContact CB-CE2 3.77Å; A220-Y228 WeakPolarHBondContact O-CE2 3.47Å; A220-Y228 PolarHBondContact O-OH 2.84Å; S222-Y228 VanDerWaalsContact CB-OH 3.28Å; S222-Y228 WeakPolarHBondContact CB-OH 3.19Å; A225-Y228 HydrophobicContact CB-CE1 4.36Å; Y228-R247 VanDerWaalsContact O-CZ 3.26Å; Y228-R247 PolarHBondContact O-NH1 2.8Å; Y228-R247 PolarHBondContact O-NH2 3.28Å; Y228-D250 WeakPolarHBondContact CD2-O 3.08Å; Y228-I272 HydrophobicContact CD1-CB 4.5Å; Y228-I272 HydrophobicContact CD1-CD1 4.26Å; Y228-I272 HydrophobicContact CE1-CD1 4.34Å
229	T	68	Low	64.3	Low	62 Å²	62	65.7 Å²	65.7	38%	0.38	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	104.9	168.3	-63	0	0	0	0	109.3	V231 I272 L273	T229-V231 HydrophobicContact CG2-CG2 4.35Å; T229-I272 WeakPolarHBondContact O-CA 3.44Å; T229-L273 PolarHBondContact N-O 2.73Å; T229-L273 PolarHBondContact O-N 3Å
230	F	75	Confident	63.3	Low	25 Å²	25	67 Å²	67	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120	175.5	-69.8	-88.2	0	0	0	110.7	L196 A219 T251 H271 I272	L196-F230 HydrophobicContact CD2-CE1 3.95Å; A219-F230 HydrophobicContact CB-CE1 4.08Å; A219-F230 HydrophobicContact CB-CZ 3.72Å; F230-T251 VanDerWaalsContact CZ-C 3.44Å; F230-T251 WeakPolarHBondContact CZ-O 3.44Å; F230-H271 WeakPolarHBondContact CA-O 3.3Å; F230-I272 HydrophobicContact CD1-CG2 3.59Å; F230-I272 HydrophobicContact CE1-CG2 3.55Å; F230-I272 HydrophobicContact CG-CG2 4.21Å; F230-I272 HydrophobicContact CZ-CG2 4.11Å
231	V	78.8	Confident	62.5	Low	43 Å²	43	72.3 Å²	72.3	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.7	173	-176.8	0	0	0	0	108.2	T229 R233 H271 L273	T229-V231 HydrophobicContact CG2-CG2 4.35Å; V231-R233 HydrophobicContact CG1-CG 4.23Å; V231-H271 HydrophobicContact CB-CB 4.38Å; V231-H271 PolarHBondContact N-O 3.06Å; V231-H271 PolarHBondContact O-CD2 3.31Å; V231-H271 PolarHBondContact O-N 2.84Å; V231-L273 HydrophobicContact CG2-CD1 3.85Å; V231-L273 HydrophobicContact CG2-CG 4.36Å
232	W	81.4	Confident	62.1	Low	18 Å²	18	71.2 Å²	71.2	7%	0.068	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.2	168	-72.4	94.2	0	0	0	109.7	L199 L215 C217 M239 T245 S253 L255 S269 C270	L199-W232 HydrophobicContact CD1-CH2 3.52Å; L199-W232 HydrophobicContact CD1-CZ3 3.74Å; L215-W232 HydrophobicContact CB-CH2 3.79Å; L215-W232 HydrophobicContact CB-CZ3 4Å; L215-W232 WeakPolarHBondContact O-CH2 3.28Å; L215-W232 WeakPolarHBondContact O-CZ2 3.04Å; C217-W232 HydrophobicContact CB-CH2 3.75Å; C217-W232 HydrophobicContact CB-CZ2 3.52Å; W232-M239 HydrophobicContact CB-CE 3.52Å; W232-M239 WeakPolarHBondContact O-CE 3.3Å; W232-T245 HydrophobicContact CG-CG2 4.45Å; W232-S253 PolarHBondContact NE1-OG 2.83Å; W232-L255 HydrophobicContact CB-CD2 4.47Å; W232-L255 HydrophobicContact CD2-CB 3.81Å; W232-L255 HydrophobicContact CD2-CD2 4.08Å; W232-L255 HydrophobicContact CE3-CB 4.02Å; W232-L255 HydrophobicContact CE3-CD2 3.79Å; W232-L255 HydrophobicContact CG-CB 4.32Å; W232-L255 HydrophobicContact CG-CD2 4.41Å; W232-L255 HydrophobicContact CH2-CB 4.15Å; W232-L255 HydrophobicContact CZ2-CB 3.95Å; W232-L255 HydrophobicContact CZ3-CB 4.18Å; W232-L255 HydrophobicContact CZ3-CD2 4.32Å; W232-S269 WeakPolarHBondContact CA-O 3.31Å; W232-C270 HydrophobicContact CD2-CB 4.43Å; W232-C270 HydrophobicContact CE3-CB 4.17Å; W232-C270 HydrophobicContact CH2-CB 4.48Å; W232-C270 HydrophobicContact CZ3-CB 4.2Å
233	R	77.6	Confident	62.4	Low	131 Å²	131	73.3 Å²	73.3	49%	0.494	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	131.6	170.6	-74.1	-178.7	169.9	177.3	-8.1	110.4	V231 S269	V231-R233 HydrophobicContact CG1-CG 4.23Å; R233-S269 PolarHBondContact N-O 2.82Å; R233-S269 PolarHBondContact O-N 3.01Å; R233-S269 PolarHBondContact O-OG 3.23Å
234	R	79.6	Confident	62.7	Low	35 Å²	35	71.5 Å²	71.5	13%	0.132	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.7	161	-173.6	175.9	177.7	-154.3	3.9	107.4	T237 M239 S263 D264 D265 Y268	R234-T237 WeakPolarHBondContact CD-OG1 2.99Å; R234-T237 VanDerWaalsContact CZ-OG1 3.28Å; R234-T237 PolarHBondContact NE-OG1 2.86Å; R234-T237 PolarHBondContact NH1-OG1 3.17Å; R234-M239 HydrophobicContact CB-CG 4.33Å; R234-S263 VanDerWaalsContact CZ-O 3.23Å; R234-S263 PolarHBondContact NH1-O 2.87Å; R234-S263 PolarHBondContact NH2-O 3.12Å; R234-D264 VanDerWaalsContact NH2-C 3.32Å; R234-D265 PolarHBondContact NH2-O 3.02Å; R234-Y268 HydrophobicContact CB-CD1 4.38Å; R234-Y268 HydrophobicContact CB-CE1 4.28Å; R234-Y268 HydrophobicContact CG-CE1 4.39Å
235	I	70	Confident	63.3	Low	77 Å²	77	67.3 Å²	67.3	40%	0.395	37%	0.373	S	S	.	.	S	Bend	trans	-87.1	130.8	-177.4	-63.8	174.5	0	0	0	108.3	L267	I235-L267 HydrophobicContact CB-CB 4.44Å; I235-L267 HydrophobicContact CD1-CD2 3.83Å; I235-L267 HydrophobicContact CD1-CG 4.13Å; I235-L267 PolarHBondContact N-O 2.81Å
236	G	61.9	Low	63.3	Low	43 Å²	43	71.9 Å²	71.9	44%	0.443	40%	0.395	S	S	.	.	S	Bend	trans	84.2	-4.8	-178.4	0	0	0	0	0	116.4
237	T	59.8	Low	63.4	Low	74 Å²	74	72.3 Å²	72.3	45%	0.454	39%	0.385	S	S	.	.	S	Bend	trans	-153.8	152.3	175.8	42.6	0	0	0	0	112.4	R234	R234-T237 WeakPolarHBondContact CD-OG1 2.99Å; R234-T237 VanDerWaalsContact CZ-OG1 3.28Å; R234-T237 PolarHBondContact NE-OG1 2.86Å; R234-T237 PolarHBondContact NH1-OG1 3.17Å
238	Q	60.3	Low	63.3	Low	185 Å²	185	70.2 Å²	70.2	86%	0.864	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-64.4	154.4	163	-65.6	-174.2	-1.4	0	0	110.5
239	M	61.9	Low	62.9	Low	45 Å²	45	72 Å²	72	22%	0.222	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-72.6	136.7	-178.1	-66.4	-167.2	-146.4	0	0	112.1	W232 R234 H243 L255	W232-M239 HydrophobicContact CB-CE 3.52Å; W232-M239 WeakPolarHBondContact O-CE 3.3Å; R234-M239 HydrophobicContact CB-CG 4.33Å; M239-H243 WeakPolarHBondContact CB-CE1 3.31Å; M239-L255 HydrophobicContact SD-CD1 4.21Å; M239-L255 HydrophobicContact SD-CD2 4.12Å
240	P	53.7	Low	62.6	Low	28 Å²	28	72.8 Å²	72.8	18%	0.182	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-66.4	133.2	-178.3	27.4	-34.4	0	0	0	110.7	A242 H243	P240-A242 PolarHBondContact O-N 3.31Å; P240-H243 PolarHBondContact O-N 3.2Å; P240-H243 PolarHBondContact O-ND1 2.98Å
241	P	50	Low	62.4	Low	132 Å²	132	73.4 Å²	73.4	86%	0.857	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-1.4	-162.4	24.5	-35.3	0	0	0	116.8	H243	P241-H243 VanDerWaalsContact C-N 3.34Å
242	A	51.5	Low	62.3	Low	64 Å²	64	73.7 Å²	73.7	53%	0.529	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.2	174	0	0	0	0	0	114.1	P240	P240-A242 PolarHBondContact O-N 3.31Å
243	H	61.2	Low	62.2	Low	60 Å²	60	73.1 Å²	73.1	28%	0.278	40%	0.402	S	S	.	.			trans	-81.3	155.4	177.3	75.6	-78.6	0	0	0	112.8	M239 P240 P241 L255 T256 L257	M239-H243 WeakPolarHBondContact CB-CE1 3.31Å; P240-H243 PolarHBondContact O-N 3.2Å; P240-H243 PolarHBondContact O-ND1 2.98Å; P241-H243 VanDerWaalsContact C-N 3.34Å; H243-L255 HydrophobicContact CB-CD1 3.93Å; H243-T256 VanDerWaalsContact CA-O 3.26Å; H243-T256 WeakPolarHBondContact CA-O 3.19Å; H243-L257 HydrophobicContact CB-CD2 3.86Å
244	S	54.3	Low	62.4	Low	59 Å²	59	68 Å²	68	41%	0.413	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.6	168.8	60	0	0	0	0	111.7	T256	S244-T256 PolarHBondContact N-O 3.43Å; S244-T256 PolarHBondContact O-N 2.97Å
245	T	59.1	Low	62.6	Low	84 Å²	84	66.3 Å²	66.3	52%	0.515	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.9	173.7	43.8	0	0	0	0	110.1	W232 I254 L255	W232-T245 HydrophobicContact CG-CG2 4.45Å; T245-I254 CarbonylContact C-O 3.57Å; T245-I254 WeakPolarHBondContact CA-O 3.36Å; T245-L255 HydrophobicContact CG2-CD1 3.8Å
246	L	52.8	Low	63.2	Low	101 Å²	101	63.6 Å²	63.6	53%	0.529	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.2	179.3	-177.1	67.4	0	0	0	108.9	I248 I254	L246-I248 HydrophobicContact CD2-CD1 4.23Å; L246-I248 HydrophobicContact CD2-CG1 4.13Å; L246-I248 HydrophobicContact CG-CG1 4.05Å; L246-I254 PolarHBondContact N-O 2.72Å; L246-I254 PolarHBondContact O-N 2.8Å
247	R	54.5	Low	64.2	Low	105 Å²	105	61.8 Å²	61.8	40%	0.396	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.9	166.1	-173.5	-171.1	-173.2	103.2	-6.5	107.8	Y228 S249 D250	Y228-R247 VanDerWaalsContact O-CZ 3.26Å; Y228-R247 PolarHBondContact O-NH1 2.8Å; Y228-R247 PolarHBondContact O-NH2 3.28Å; R247-S249 VanDerWaalsContact CG-O 3.25Å; R247-S249 WeakPolarHBondContact CG-O 3.38Å; R247-S249 PolarHBondContact NE-O 2.8Å; R247-D250 IonicContact CZ-OD1 2.85Å; R247-D250 IonicContact NE-OD1 3.47Å; R247-D250 PolarHBondContact NE-OD1 2.87Å; R247-D250 IonicContact NH2-OD1 2.96Å; R247-D250 PolarHBondContact NH2-OD1 2.92Å
248	I	53.3	Low	65.2	Low	99 Å²	99	62.5 Å²	62.5	51%	0.508	35%	0.346	S	S	.	.			trans	-106.8	-30.5	-177.5	-63.3	-172.8	0	0	0	111.2	L246 I252 I254	L246-I248 HydrophobicContact CD2-CD1 4.23Å; L246-I248 HydrophobicContact CD2-CG1 4.13Å; L246-I248 HydrophobicContact CG-CG1 4.05Å; I248-I252 HydrophobicContact CB-CB 4.46Å; I248-I252 HydrophobicContact CB-CG2 4.23Å; I248-I252 PolarHBondContact N-O 3.16Å; I248-I254 HydrophobicContact CD1-CB 4.45Å; I248-I254 HydrophobicContact CD1-CD1 3.44Å; I248-I254 VanDerWaalsContact CD1-CD1 3.44Å; I248-I254 HydrophobicContact CD1-CG1 3.74Å; I248-I254 HydrophobicContact CG1-CG1 4.47Å
249	S	57.5	Low	66.2	Low	41 Å²	41	56.4 Å²	56.4	29%	0.287	32%	0.324	S	S	.	.	S	Bend	trans	-150.2	-179.1	170.2	69.8	0	0	0	0	109.9	R247 T251 I252	R247-S249 VanDerWaalsContact CG-O 3.25Å; R247-S249 WeakPolarHBondContact CG-O 3.38Å; R247-S249 PolarHBondContact NE-O 2.8Å; S249-T251 PolarHBondContact O-N 3.42Å; S249-T251 PolarHBondContact OG-N 2.62Å; S249-T251 VanDerWaalsContact OG-N 3.1Å; S249-T251 PolarHBondContact OG-OG1 3.22Å; S249-I252 PolarHBondContact N-O 2.94Å; S249-I252 PolarHBondContact O-N 3.23Å; S249-I252 WeakPolarHBondContact OG-CB 3.36Å; S249-I252 PolarHBondContact OG-N 2.83Å
250	D	61.4	Low	67.2	Low	80 Å²	80	54.3 Å²	54.3	43%	0.428	31%	0.313	S	S	.	.	S	Bend	trans	-69.3	-10.2	170.4	-65.3	-61.6	0	0	0	114.2	Y228 R247	Y228-D250 WeakPolarHBondContact CD2-O 3.08Å; R247-D250 IonicContact CZ-OD1 2.85Å; R247-D250 IonicContact NE-OD1 3.47Å; R247-D250 PolarHBondContact NE-OD1 2.87Å; R247-D250 IonicContact NH2-OD1 2.96Å; R247-D250 PolarHBondContact NH2-OD1 2.92Å
251	T	69.7	Low	68.6	Low	38 Å²	38	56.8 Å²	56.8	23%	0.233	32%	0.323	C	S	.	.	S	Bend	trans	-112	-8.9	175.2	51.2	0	0	0	0	114.2	E218 A219 P221 F230 S249	E218-T251 CarbonylContact C-O 3.49Å; E218-T251 VanDerWaalsContact CA-O 3.27Å; E218-T251 WeakPolarHBondContact CA-O 3.34Å; A219-T251 PolarHBondContact N-O 3.38Å; A219-T251 VanDerWaalsContact O-CB 3.29Å; A219-T251 WeakPolarHBondContact O-CB 3.19Å; A219-T251 VanDerWaalsContact O-CG2 3.29Å; A219-T251 WeakPolarHBondContact O-CG2 3.21Å; P221-T251 HydrophobicContact CG-CG2 4.33Å; F230-T251 VanDerWaalsContact CZ-C 3.44Å; F230-T251 WeakPolarHBondContact CZ-O 3.44Å; S249-T251 PolarHBondContact O-N 3.42Å; S249-T251 PolarHBondContact OG-N 2.62Å; S249-T251 VanDerWaalsContact OG-N 3.1Å; S249-T251 PolarHBondContact OG-OG1 3.22Å
252	I	77.5	Confident	69.9	Low	48 Å²	48	53.2 Å²	53.2	25%	0.246	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.5	-173.3	-58.5	175.5	0	0	0	112.3	T216 C217 E218 I248 S249	T216-I252 HydrophobicContact CG2-CG2 4.1Å; C217-I252 WeakPolarHBondContact O-CA 2.98Å; E218-I252 HydrophobicContact CG-CG1 4.21Å; I248-I252 HydrophobicContact CB-CB 4.46Å; I248-I252 HydrophobicContact CB-CG2 4.23Å; I248-I252 PolarHBondContact N-O 3.16Å; S249-I252 PolarHBondContact N-O 2.94Å; S249-I252 PolarHBondContact O-N 3.23Å; S249-I252 WeakPolarHBondContact OG-CB 3.36Å; S249-I252 PolarHBondContact OG-N 2.83Å
253	S	78.6	Confident	71.1	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.5	172	-172.9	0	0	0	0	111.2	C217 W232	C217-S253 PolarHBondContact N-O 2.89Å; C217-S253 PolarHBondContact O-N 2.79Å; W232-S253 PolarHBondContact NE1-OG 2.83Å
254	I	82.2	Confident	72.1	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.118	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.4	174.8	-61.3	-164.7	0	0	0	110.5	K214 L215 T216 T245 L246 I248	K214-I254 HydrophobicContact CB-CG2 4.09Å; K214-I254 HydrophobicContact CG-CG2 4.5Å; L215-I254 CarbonylContact O-C 3.59Å; L215-I254 VanDerWaalsContact O-CA 3.25Å; L215-I254 WeakPolarHBondContact O-CA 3.31Å; T216-I254 HydrophobicContact CG2-CD1 4.14Å; T216-I254 HydrophobicContact CG2-CG1 3.97Å; T216-I254 WeakPolarHBondContact OG1-CD1 3.25Å; T245-I254 CarbonylContact C-O 3.57Å; T245-I254 WeakPolarHBondContact CA-O 3.36Å; L246-I254 PolarHBondContact N-O 2.72Å; L246-I254 PolarHBondContact O-N 2.8Å; I248-I254 HydrophobicContact CD1-CB 4.45Å; I248-I254 HydrophobicContact CD1-CD1 3.44Å; I248-I254 VanDerWaalsContact CD1-CD1 3.44Å; I248-I254 HydrophobicContact CD1-CG1 3.74Å; I248-I254 HydrophobicContact CG1-CG1 4.47Å
255	L	83	Confident	73.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.1	167.3	171.1	60.9	0	0	0	108.9	L215 W232 M239 H243 T245 L257 Y268	L215-L255 HydrophobicContact CB-CB 4.41Å; L215-L255 HydrophobicContact CD1-CD2 4.4Å; L215-L255 PolarHBondContact N-O 3.2Å; L215-L255 PolarHBondContact O-N 2.02Å; W232-L255 HydrophobicContact CB-CD2 4.47Å; W232-L255 HydrophobicContact CD2-CB 3.81Å; W232-L255 HydrophobicContact CD2-CD2 4.08Å; W232-L255 HydrophobicContact CE3-CB 4.02Å; W232-L255 HydrophobicContact CE3-CD2 3.79Å; W232-L255 HydrophobicContact CG-CB 4.32Å; W232-L255 HydrophobicContact CG-CD2 4.41Å; W232-L255 HydrophobicContact CH2-CB 4.15Å; W232-L255 HydrophobicContact CZ2-CB 3.95Å; W232-L255 HydrophobicContact CZ3-CB 4.18Å; W232-L255 HydrophobicContact CZ3-CD2 4.32Å; M239-L255 HydrophobicContact SD-CD1 4.21Å; M239-L255 HydrophobicContact SD-CD2 4.12Å; H243-L255 HydrophobicContact CB-CD1 3.93Å; T245-L255 HydrophobicContact CG2-CD1 3.8Å; L255-L257 HydrophobicContact CG-CD2 4.48Å; L255-Y268 HydrophobicContact CD2-CD1 3.67Å; L255-Y268 HydrophobicContact CD2-CE1 3.85Å
256	T	83.8	Confident	74.5	Confident	21 Å²	21	47 Å²	47	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.7	178.6	-54.1	0	0	0	0	110.4	V213 K214 H243 S244 L258	V213-T256 WeakPolarHBondContact O-CA 3.17Å; K214-T256 HydrophobicContact CG-CG2 4.2Å; H243-T256 VanDerWaalsContact CA-O 3.26Å; H243-T256 WeakPolarHBondContact CA-O 3.19Å; S244-T256 PolarHBondContact N-O 3.43Å; S244-T256 PolarHBondContact O-N 2.97Å; T256-L258 HydrophobicContact CG2-CD2 4.04Å
257	L	83.1	Confident	76	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126	174.8	-54.4	174.4	0	0	0	108.6	N212 V213 H243 L255 V260 Y268 L315	N212-L257 WeakPolarHBondContact CA-O 3.39Å; V213-L257 HydrophobicContact CB-CB 4.48Å; V213-L257 PolarHBondContact N-O 3.33Å; V213-L257 PolarHBondContact O-N 2.75Å; H243-L257 HydrophobicContact CB-CD2 3.86Å; L255-L257 HydrophobicContact CG-CD2 4.48Å; L257-V260 HydrophobicContact CB-CG2 3.79Å; L257-Y268 HydrophobicContact CD1-CE1 4.31Å; L257-Y268 HydrophobicContact CD1-CE2 4.43Å; L257-Y268 WeakPolarHBondContact CD1-OH 3.38Å; L257-Y268 HydrophobicContact CD2-CE1 4.42Å; L257-L315 HydrophobicContact CD1-CD2 3.45Å; L257-L315 VanDerWaalsContact CD1-CD2 3.45Å
258	L	80.3	Confident	77.5	Confident	90 Å²	90	39.8 Å²	39.8	47%	0.471	23%	0.23	S	C	.	.	S	Bend	trans	-104	130.9	-175.8	-62	176.9	0	0	0	111.1	N212 T256 V260	N212-L258 WeakPolarHBondContact OD1-CA 3.39Å; T256-L258 HydrophobicContact CG2-CD2 4.04Å; L258-V260 PolarHBondContact O-N 3.27Å
259	S	81.2	Confident	79	Confident	57 Å²	57	35.1 Å²	35.1	40%	0.399	21%	0.206	S	C	.	.	S	Bend	trans	47.6	55.2	-179.8	-176.7	0	0	0	0	113.4	T211 N212 Q261	T211-S259 CarbonylContact O-C 3.57Å; T211-S259 WeakPolarHBondContact O-CA 3.33Å; T211-S259 PolarHBondContact O-N 3.15Å; N212-S259 PolarHBondContact OD1-N 2.84Å; S259-Q261 PolarHBondContact O-N 2.85Å; S259-Q261 PolarHBondContact O-NE2 3.11Å
260	V	82.1	Confident	80.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.			trans	-43.9	125	-172.6	172.5	0	0	0	0	112.7	I209 G210 T211 V213 L257 L258 D264 V317	I209-V260 WeakPolarHBondContact CA-O 3.48Å; G210-V260 PolarHBondContact N-O 2.85Å; T211-V260 WeakPolarHBondContact O-CB 3.4Å; T211-V260 WeakPolarHBondContact O-CG2 3.5Å; T211-V260 PolarHBondContact O-N 3.47Å; V213-V260 HydrophobicContact CB-CG2 4.04Å; V213-V260 HydrophobicContact CG2-CG2 3.79Å; L257-V260 HydrophobicContact CB-CG2 3.79Å; L258-V260 PolarHBondContact O-N 3.27Å; V260-D264 WeakPolarHBondContact CA-OD2 3.34Å; V260-D264 HydrophobicContact CG1-CB 4.23Å; V260-V317 HydrophobicContact CG1-CB 4.33Å; V260-V317 HydrophobicContact CG1-CG1 3.89Å; V260-V317 HydrophobicContact CG1-CG2 3.44Å; V260-V317 VanDerWaalsContact CG1-CG2 3.44Å
261	Q	83.1	Confident	81.3	Confident	81 Å²	81	31.5 Å²	31.5	38%	0.379	18%	0.182	S	C	.	.			trans	-102.9	163.5	-178.9	-65.2	-56.4	-46.5	0	0	111.6	S259 S263 D264	S259-Q261 PolarHBondContact O-N 2.85Å; S259-Q261 PolarHBondContact O-NE2 3.11Å; Q261-S263 VanDerWaalsContact CB-OG 3.25Å; Q261-S263 WeakPolarHBondContact CB-OG 3.38Å; Q261-S263 PolarHBondContact O-N 2.95Å; Q261-S263 VanDerWaalsContact O-N 3.1Å; Q261-D264 PolarHBondContact N-OD2 2.8Å; Q261-D264 WeakPolarHBondContact O-CB 3.36Å; Q261-D264 PolarHBondContact O-N 3.4Å
262	P	78	Confident	81.5	Confident	56 Å²	56	30 Å²	30	36%	0.364	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.5	-21.5	171	-22.6	34.9	0	0	0	113.2	I209 D264	I209-P262 HydrophobicContact CD1-CG 3.87Å; P262-D264 PolarHBondContact O-N 2.61Å
263	S	77	Confident	80.9	Confident	75 Å²	75	32.4 Å²	32.4	52%	0.524	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-69.7	-9.9	173.9	56	0	0	0	0	115	R234 Q261	R234-S263 VanDerWaalsContact CZ-O 3.23Å; R234-S263 PolarHBondContact NH1-O 2.87Å; R234-S263 PolarHBondContact NH2-O 3.12Å; Q261-S263 VanDerWaalsContact CB-OG 3.25Å; Q261-S263 WeakPolarHBondContact CB-OG 3.38Å; Q261-S263 PolarHBondContact O-N 2.95Å; Q261-S263 VanDerWaalsContact O-N 3.1Å
264	D	81.2	Confident	79.8	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.059	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-104.4	-7.5	-171.8	-49.3	-20.5	0	0	0	112	R234 V260 Q261 P262 Y268	R234-D264 VanDerWaalsContact NH2-C 3.32Å; V260-D264 WeakPolarHBondContact CA-OD2 3.34Å; V260-D264 HydrophobicContact CG1-CB 4.23Å; Q261-D264 PolarHBondContact N-OD2 2.8Å; Q261-D264 WeakPolarHBondContact O-CB 3.36Å; Q261-D264 PolarHBondContact O-N 3.4Å; P262-D264 PolarHBondContact O-N 2.61Å; D264-Y268 WeakPolarHBondContact O-CE2 3.27Å; D264-Y268 PolarHBondContact O-OH 3.43Å; D264-Y268 VanDerWaalsContact O-OH 3.11Å
265	D	82	Confident	78.2	Confident	38 Å²	38	37.8 Å²	37.8	20%	0.203	21%	0.214	C	C	.	.			trans	-59.6	130.2	175.5	-161.5	-78.4	0	0	0	111.6	R234 L315 E316 V317 K350	R234-D265 PolarHBondContact NH2-O 3.02Å; D265-L315 WeakPolarHBondContact CA-O 3.34Å; D265-E316 WeakPolarHBondContact OD2-CA 3.49Å; D265-V317 HydrophobicContact CB-CB 4.43Å; D265-V317 HydrophobicContact CB-CG2 4.05Å; D265-V317 PolarHBondContact OD2-N 3.14Å; D265-K350 IonicContact OD1-NZ 2.77Å; D265-K350 PolarHBondContact OD1-NZ 3.23Å; D265-K350 WeakPolarHBondContact OD2-CE 3.38Å; D265-K350 IonicContact OD2-NZ 3.43Å; D265-K350 PolarHBondContact OD2-NZ 3.28Å
266	G	82.7	Confident	76.3	Confident	12 Å²	12	46.8 Å²	46.8	12%	0.124	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-167.4	177.9	0	0	0	0	0	116.7	H314 L315	G266-H314 PolarHBondContact O-ND1 2.8Å; G266-L315 PolarHBondContact N-O 2.97Å; G266-L315 PolarHBondContact O-N 3.04Å
267	L	84	Confident	74	Confident	55 Å²	55	50.3 Å²	50.3	29%	0.288	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	109.8	-172.7	-172.1	64.4	0	0	0	111.7	I235 R312 H314	I235-L267 HydrophobicContact CB-CB 4.44Å; I235-L267 HydrophobicContact CD1-CD2 3.83Å; I235-L267 HydrophobicContact CD1-CG 4.13Å; I235-L267 PolarHBondContact N-O 2.81Å; L267-R312 HydrophobicContact CD1-CB 4.2Å; L267-H314 HydrophobicContact CD1-CB 4.26Å
268	Y	86.7	Confident	71.3	Confident	1 Å²	1	58.5 Å²	58.5	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.1	173.3	-70.8	-97.7	0	0	0	110.5	L215 R234 L255 L257 D264 R312 L313 L315	L215-Y268 HydrophobicContact CD1-CD1 3.79Å; L215-Y268 HydrophobicContact CD1-CD2 4.01Å; L215-Y268 HydrophobicContact CD1-CE1 4.33Å; L215-Y268 HydrophobicContact CD1-CG 3.6Å; R234-Y268 HydrophobicContact CB-CD1 4.38Å; R234-Y268 HydrophobicContact CB-CE1 4.28Å; R234-Y268 HydrophobicContact CG-CE1 4.39Å; L255-Y268 HydrophobicContact CD2-CD1 3.67Å; L255-Y268 HydrophobicContact CD2-CE1 3.85Å; L257-Y268 HydrophobicContact CD1-CE1 4.31Å; L257-Y268 HydrophobicContact CD1-CE2 4.43Å; L257-Y268 WeakPolarHBondContact CD1-OH 3.38Å; L257-Y268 HydrophobicContact CD2-CE1 4.42Å; D264-Y268 WeakPolarHBondContact O-CE2 3.27Å; D264-Y268 PolarHBondContact O-OH 3.43Å; D264-Y268 VanDerWaalsContact O-OH 3.11Å; Y268-R312 CarbonylContact O-C 3.59Å; Y268-R312 VanDerWaalsContact O-CA 3.32Å; Y268-R312 WeakPolarHBondContact O-CA 3.44Å; Y268-L313 PolarHBondContact N-O 2.68Å; Y268-L313 PolarHBondContact O-N 2.83Å; Y268-L315 HydrophobicContact CD2-CB 4.01Å; Y268-L315 HydrophobicContact CE2-CB 3.96Å; Y268-L315 HydrophobicContact CE2-CD2 3.84Å
269	S	84.8	Confident	68.8	Low	1 Å²	1	59.6 Å²	59.6	1%	0.007	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.4	178.7	64.4	0	0	0	0	111.5	W232 R233 H271 R311	W232-S269 WeakPolarHBondContact CA-O 3.31Å; R233-S269 PolarHBondContact N-O 2.82Å; R233-S269 PolarHBondContact O-N 3.01Å; R233-S269 PolarHBondContact O-OG 3.23Å; S269-H271 WeakPolarHBondContact CB-NE2 3.38Å; S269-H271 PolarHBondContact OG-NE2 2.83Å; S269-R311 WeakPolarHBondContact CA-O 3.32Å
270	C	84.4	Confident	66.3	Low	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.4	177.3	175.6	0	0	0	0	108.1	L196 L199 C217 W232 V310 R311	L196-C270 VanDerWaalsContact CD1-O 3.31Å; L196-C270 WeakPolarHBondContact CD1-O 3.19Å; L199-C270 HydrophobicContact CD1-CB 4.36Å; L199-C270 HydrophobicContact CD2-CB 4.48Å; C217-C270 HydrophobicContact CB-CB 3.76Å; C217-C270 WeakPolarHBondContact CB-SG 3.37Å; C217-C270 WeakPolarHBondContact SG-CB 3.48Å; C217-C270 CovalentContact SG-SG 2.03Å; C217-C270 PolarHBondContact SG-SG 2.84Å; W232-C270 HydrophobicContact CD2-CB 4.43Å; W232-C270 HydrophobicContact CE3-CB 4.17Å; W232-C270 HydrophobicContact CH2-CB 4.48Å; W232-C270 HydrophobicContact CZ3-CB 4.2Å; C270-V310 WeakPolarHBondContact O-CA 3.3Å; C270-R311 PolarHBondContact N-O 2.83Å; C270-R311 PolarHBondContact O-N 2.78Å
271	H	81.4	Confident	63.7	Low	44 Å²	44	72.3 Å²	72.3	20%	0.204	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.5	-176.2	-50.4	-115.2	0	0	0	108.8	F230 V231 S269 T309 V310	F230-H271 WeakPolarHBondContact CA-O 3.3Å; V231-H271 HydrophobicContact CB-CB 4.38Å; V231-H271 PolarHBondContact N-O 3.06Å; V231-H271 PolarHBondContact O-CD2 3.31Å; V231-H271 PolarHBondContact O-N 2.84Å; S269-H271 WeakPolarHBondContact CB-NE2 3.38Å; S269-H271 PolarHBondContact OG-NE2 2.83Å; H271-T309 CarbonylContact C-O 3.49Å; H271-T309 VanDerWaalsContact CA-O 3.32Å; H271-T309 WeakPolarHBondContact CA-O 3.38Å; H271-V310 HydrophobicContact CB-CG2 4.45Å; H271-V310 WeakPolarHBondContact ND1-CG2 3.33Å
272	I	74	Confident	61.1	Low	6 Å²	6	77.7 Å²	77.7	3%	0.031	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.5	173.6	51.7	173.1	0	0	0	112.3	P194 L196 A219 Y228 T229 F230 T309	P194-I272 HydrophobicContact CB-CD1 3.96Å; L196-I272 HydrophobicContact CD2-CD1 4.2Å; L196-I272 HydrophobicContact CD2-CG1 4.37Å; L196-I272 HydrophobicContact CD2-CG2 3.69Å; L196-I272 HydrophobicContact CG-CD1 3.98Å; L196-I272 HydrophobicContact CG-CG1 4.02Å; L196-I272 HydrophobicContact CG-CG2 4.22Å; A219-I272 HydrophobicContact CB-CD1 4.33Å; Y228-I272 HydrophobicContact CD1-CB 4.5Å; Y228-I272 HydrophobicContact CD1-CD1 4.26Å; Y228-I272 HydrophobicContact CE1-CD1 4.34Å; T229-I272 WeakPolarHBondContact O-CA 3.44Å; F230-I272 HydrophobicContact CD1-CG2 3.59Å; F230-I272 HydrophobicContact CE1-CG2 3.55Å; F230-I272 HydrophobicContact CG-CG2 4.21Å; F230-I272 HydrophobicContact CZ-CG2 4.11Å; I272-T309 HydrophobicContact CG1-CG2 4.38Å; I272-T309 PolarHBondContact N-O 2.84Å
273	L	66	Low	58.8	Low	99 Å²	99	82.2 Å²	82.2	52%	0.518	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.6	175.9	-56.5	174.4	0	0	0	110.5	T229 V231	T229-L273 PolarHBondContact N-O 2.73Å; T229-L273 PolarHBondContact O-N 3Å; V231-L273 HydrophobicContact CG2-CD1 3.85Å; V231-L273 HydrophobicContact CG2-CG 4.36Å
274	Q	54.6	Low	56.3	Low	98 Å²	98	85.8 Å²	85.8	46%	0.458	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.7	177.7	-168.9	172.7	3.6	0	0	110.3	A225 Q276	A225-Q274 HydrophobicContact CB-CG 4.34Å; Q274-Q276 PolarHBondContact O-N 2.82Å
275	S	49.8	Very low	53.7	Low	45 Å²	45	91.1 Å²	91.1	32%	0.315	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	20.4	-163.3	57.6	0	0	0	0	117.1	W227	W227-S275 VanDerWaalsContact CE2-OG 3.24Å; W227-S275 PolarHBondContact NE1-OG 3.43Å
276	Q	42.7	Very low	51.1	Low	188 Å²	188	98.6 Å²	98.6	88%	0.879	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	34	-176.4	-70.7	-166.6	-20	0	0	115.1	Q274	Q274-Q276 PolarHBondContact O-N 2.82Å
277	S	35.8	Very low	48.4	Very low	95 Å²	95	103.1 Å²	103.1	66%	0.664	55%	0.546	S	S	*	.			trans	-122.5	93.2	167.4	60.7	0	0	0	0	111.7	S279	S277-S279 PolarHBondContact O-N 3.5Å
278	N	26.2	Very low	45.6	Very low	176 Å²	176	103.7 Å²	103.7	94%	0.941	57%	0.565	S	S	*	*			trans	-80.8	90.2	175.9	-89.4	-7	0	0	0	111.9
279	S	27.9	Very low	42.8	Very low	113 Å²	113	112.1 Å²	112.1	79%	0.79	60%	0.604	S	S	*	*			trans	-157.2	121.6	149.2	45.6	0	0	0	0	111.2	S277	S277-S279 PolarHBondContact O-N 3.5Å
280	L	27.3	Very low	40	Very low	160 Å²	160	117.8 Å²	117.8	84%	0.838	64%	0.635	S	S	*	*			trans	-78.7	145.4	163.6	-79.5	158.7	0	0	0	109.4
281	N	28	Very low	37.5	Very low	164 Å²	164	122.9 Å²	122.9	88%	0.877	67%	0.666	S	S	*	*			trans	-156.7	151.3	140.4	-94.6	-28.8	0	0	0	108.4
282	E	28	Very low	34.9	Very low	194 Å²	194	126.9 Å²	126.9	91%	0.907	69%	0.693	S	S	*	*			trans	-91.9	-176.2	-162.4	-70.4	176.3	113	0	0	114.4
283	E	29.9	Very low	32.8	Very low	151 Å²	151	132 Å²	132	71%	0.706	73%	0.729	S	S	*	*			trans	-73.3	154.8	-168.2	-50.4	177.2	132.9	0	0	114
284	V	26	Very low	31	Very low	151 Å²	151	131.2 Å²	131.2	92%	0.915	75%	0.746	S	S	*	*			trans	-132.6	138.4	139.2	-176.1	0	0	0	0	108.5
285	L	26.1	Very low	29.8	Very low	122 Å²	122	131.8 Å²	131.8	64%	0.639	76%	0.761	S	S	*	*			trans	-80.9	149.6	-177.8	-178.1	76	0	0	0	112.1
286	E	27.4	Very low	28.7	Very low	195 Å²	195	134.1 Å²	134.1	91%	0.911	78%	0.777	S	S	*	*			trans	-163	161	134.9	-115.2	170.7	-161.1	0	0	111.6
287	D	24.8	Very low	27.8	Very low	107 Å²	107	132.4 Å²	132.4	57%	0.572	77%	0.774	S	S	*	*			trans	-117.6	167.6	-154.2	-65	-64.2	0	0	0	115.3
288	G	26.2	Very low	27.4	Very low	67 Å²	67	131.9 Å²	131.9	69%	0.691	78%	0.775	S	S	*	*			trans	115.1	108.4	143.6	0	0	0	0	0	120.7
289	E	28.1	Very low	27.4	Very low	178 Å²	178	126.2 Å²	126.2	83%	0.832	75%	0.747	S	S	*	*			trans	62.2	-175	132.8	-56.9	-145.4	89.4	0	0	121.5
290	N	26	Very low	27.5	Very low	120 Å²	120	124.2 Å²	124.2	64%	0.642	73%	0.725	S	S	*	*				-161.4	165.7	-73.1	-87.5	-33.2	0	0	0	109.9
291	V	31.3	Very low	27.6	Very low	108 Å²	108	122.3 Å²	122.3	66%	0.655	71%	0.71	S	S	*	*			cis	-170.6	161	-35.2	73.8	0	0	0	0	110
292	T	27.9	Very low	27.7	Very low	127 Å²	127	118.4 Å²	118.4	78%	0.779	69%	0.689	S	S	*	*			trans	62.6	171	170.2	55.5	0	0	0	0	119.6
293	S	29.3	Very low	27.8	Very low	113 Å²	113	115.6 Å²	115.6	79%	0.79	67%	0.67	S	S	*	*				-173	138.3	-63.9	55.4	0	0	0	0	113.1
294	G	28.6	Very low	28	Very low	84 Å²	84	115.8 Å²	115.8	87%	0.866	67%	0.669	S	S	*	*			trans	111.4	148.7	173.2	0	0	0	0	0	114.3
295	S	28.8	Very low	28.6	Very low	110 Å²	110	111.8 Å²	111.8	77%	0.769	64%	0.639	S	S	*	*			cis	-149	149.2	9.1	179.2	0	0	0	0	113.8
296	S	25.8	Very low	29.8	Very low	94 Å²	94	113.7 Å²	113.7	66%	0.657	64%	0.642	S	S	*	*			trans	58.7	123.9	150.1	54	0	0	0	0	123.8
297	N	25.4	Very low	31.3	Very low	151 Å²	151	108.5 Å²	108.5	81%	0.807	62%	0.621	S	S	*	*			trans	85	137.5	149.9	-62.1	2.7	0	0	0	121
298	A	27.1	Very low	33.1	Very low	84 Å²	84	105.3 Å²	105.3	69%	0.694	61%	0.606	S	S	*	*			trans	46	65.4	171.1	0	0	0	0	0	116.8
299	T	25	Very low	35.2	Very low	58 Å²	58	103.8 Å²	103.8	36%	0.356	58%	0.583	S	S	.	*				73.9	155	83.9	70.9	0	0	0	0	114.6	F1203 N1204 N1205	T299-F1203 VanDerWaalsContact OG1-CD1 3.3Å; T299-F1203 WeakPolarHBondContact OG1-CD1 3.37Å; T299-F1203 WeakPolarHBondContact OG1-CE1 3.46Å; T299-N1204 WeakPolarHBondContact CB-O 3.15Å; T299-N1204 HydrophobicContact CG2-CB 4.16Å; T299-N1204 WeakPolarHBondContact CG2-O 3.28Å; T299-N1205 WeakPolarHBondContact CG2-OD1 3.48Å
300	E	31	Very low	37.4	Very low	71 Å²	71	96.9 Å²	96.9	33%	0.332	55%	0.553	S	S	.	*			trans	101.3	28.4	-165.8	-133.9	174.2	-155.7	0	0	121.2	L302 Y1201 S1202 F1203	E300-L302 PolarHBondContact O-N 3.49Å; E300-Y1201 HydrophobicContact CG-CD1 4.19Å; E300-S1202 CarbonylContact C-O 3.33Å; E300-S1202 WeakPolarHBondContact CA-O 3.15Å; E300-S1202 VanDerWaalsContact CG-C 3.49Å; E300-S1202 WeakPolarHBondContact CG-O 3.35Å; E300-F1203 HydrophobicContact CB-CD1 3.9Å; E300-F1203 HydrophobicContact CB-CD2 3.75Å; E300-F1203 HydrophobicContact CB-CE1 3.84Å; E300-F1203 HydrophobicContact CB-CE2 3.69Å; E300-F1203 HydrophobicContact CB-CG 3.85Å; E300-F1203 HydrophobicContact CB-CZ 3.74Å; E300-F1203 HydrophobicContact CG-CB 4.35Å; E300-F1203 HydrophobicContact CG-CD1 4.33Å; E300-F1203 HydrophobicContact CG-CD2 3.36Å; E300-F1203 HydrophobicContact CG-CE2 3.62Å; E300-F1203 HydrophobicContact CG-CG 3.75Å; E300-F1203 HydrophobicContact CG-CZ 4.21Å; E300-F1203 WeakPolarHBondContact OE1-CD2 3.24Å; E300-F1203 WeakPolarHBondContact OE2-CE2 3.35Å
301	K	28.6	Very low	40	Very low	119 Å²	119	95.2 Å²	95.2	52%	0.517	54%	0.538	S	S	.	.			trans	10.1	73.6	130.5	178.8	-157.8	-170.4	171.5	0	118.5	S1202 F1203 N1204	K301-S1202 CarbonylContact C-O 3.57Å; K301-S1202 VanDerWaalsContact CA-O 3.29Å; K301-S1202 WeakPolarHBondContact CA-O 3.18Å; K301-S1202 WeakPolarHBondContact CB-O 3.37Å; K301-S1202 PolarHBondContact N-O 2.99Å; K301-S1202 CarbonylContact O-C 3.55Å; K301-S1202 PolarHBondContact O-N 3.45Å; K301-S1202 VanDerWaalsContact O-N 3.1Å; K301-S1202 PolarHBondContact O-OG 3.28Å; K301-F1203 WeakPolarHBondContact CD-O 3.36Å; K301-F1203 PolarHBondContact NZ-O 3.12Å; K301-N1204 HydrophobicContact CD-CB 4.04Å; K301-N1204 WeakPolarHBondContact CD-OD1 3.29Å; K301-N1204 WeakPolarHBondContact CE-OD1 3.45Å; K301-N1204 PolarHBondContact NZ-OD1 2.69Å
302	L	30.7	Very low	42.4	Very low	82 Å²	82	97.8 Å²	97.8	43%	0.429	54%	0.536	S	S	.	.			trans	-56.5	142	167.4	-87.4	84.8	0	0	0	113	E300 P1198 I1200	E300-L302 PolarHBondContact O-N 3.49Å; L302-P1198 HydrophobicContact CD2-CG 4.16Å; L302-I1200 CarbonylContact C-O 3.21Å; L302-I1200 WeakPolarHBondContact CA-O 3.47Å; L302-I1200 VanDerWaalsContact CB-O 3.3Å; L302-I1200 WeakPolarHBondContact CB-O 3.3Å; L302-I1200 VanDerWaalsContact CG-O 3.27Å; L302-I1200 WeakPolarHBondContact CG-O 3.44Å
303	R	29.3	Very low	45.1	Very low	136 Å²	136	93.5 Å²	93.5	51%	0.513	51%	0.508	S	S	.	.			trans	-95.3	95.8	179.1	-81	-178.2	162.9	-156.8	-7.4	111.6	D164 K305 I1200	D164-R303 IonicContact OD1-NH2 2.75Å; R303-K305 PolarHBondContact O-N 3.01Å; R303-I1200 HydrophobicContact CB-CB 4.4Å; R303-I1200 HydrophobicContact CB-CG2 3.96Å; R303-I1200 PolarHBondContact N-O 2.63Å
304	F	34.1	Very low	47.7	Very low	154 Å²	154	91.7 Å²	91.7	68%	0.675	49%	0.487	S	S	*	.			trans	-61.5	120.9	164	-77.8	-87.3	0	0	0	110.5	K306	F304-K306 VanDerWaalsContact C-N 3.32Å; F304-K306 PolarHBondContact O-N 3.24Å
305	K	39.9	Very low	50.4	Low	68 Å²	68	87.8 Å²	87.8	30%	0.296	45%	0.446	S	S	.	.			trans	-69.7	86.8	175.6	-152.9	168.2	-175	175.4	0	108.7	R303 I1200 Y1242	R303-K305 PolarHBondContact O-N 3.01Å; K305-I1200 HydrophobicContact CD-CD1 4.36Å; K305-Y1242 HydrophobicContact CD-CE1 4.27Å; K305-Y1242 WeakPolarHBondContact CE-OH 3.49Å; K305-Y1242 VanDerWaalsContact NZ-CE1 3.34Å
306	K	50.1	Low	52.9	Low	161 Å²	161	85.6 Å²	85.6	70%	0.7	42%	0.423	S	S	*	.			trans	-56.8	142.9	-179.5	-69.2	178.6	-179.5	174.1	0	110	F304 P308	F304-K306 VanDerWaalsContact C-N 3.32Å; F304-K306 PolarHBondContact O-N 3.24Å; K306-P308 WeakPolarHBondContact O-CD 3.36Å
307	D	59.8	Low	55.8	Low	87 Å²	87	81.1 Å²	81.1	47%	0.465	39%	0.392	S	S	.	.			trans	-63.1	117.7	165.9	-171.1	-28.8	0	0	0	108.4	T309 V310	D307-T309 VanDerWaalsContact CG-OG1 3.29Å; D307-T309 PolarHBondContact O-N 2.67Å; D307-T309 WeakPolarHBondContact OD1-CB 3.4Å; D307-T309 PolarHBondContact OD1-N 3Å; D307-T309 PolarHBondContact OD1-OG1 3.02Å; D307-T309 PolarHBondContact OD2-OG1 3.1Å; D307-V310 PolarHBondContact O-N 3.42Å
308	P	62.5	Low	58.7	Low	40 Å²	40	75.8 Å²	75.8	26%	0.26	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.3	-178.9	28	-35.2	0	0	0	111.8	A195 L196 K306 V310	A195-P308 CarbonylContact C-O 3.53Å; A195-P308 WeakPolarHBondContact CA-O 3.49Å; A195-P308 HydrophobicContact CB-CB 3.83Å; L196-P308 WeakPolarHBondContact CB-O 3.44Å; L196-P308 PolarHBondContact N-O 3.34Å; K306-P308 WeakPolarHBondContact O-CD 3.36Å; P308-V310 VanDerWaalsContact C-N 3.34Å; P308-V310 PolarHBondContact O-N 2.85Å
309	T	69.6	Low	61.4	Low	34 Å²	34	73.8 Å²	73.8	21%	0.209	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.6	-178.2	68.4	0	0	0	0	114.4	P194 L196 H271 I272 D307	P194-T309 HydrophobicContact CB-CG2 4.37Å; L196-T309 VanDerWaalsContact CD1-O 3.32Å; L196-T309 WeakPolarHBondContact CD1-O 3.48Å; H271-T309 CarbonylContact C-O 3.49Å; H271-T309 VanDerWaalsContact CA-O 3.32Å; H271-T309 WeakPolarHBondContact CA-O 3.38Å; I272-T309 HydrophobicContact CG1-CG2 4.38Å; I272-T309 PolarHBondContact N-O 2.84Å; D307-T309 VanDerWaalsContact CG-OG1 3.29Å; D307-T309 PolarHBondContact O-N 2.67Å; D307-T309 WeakPolarHBondContact OD1-CB 3.4Å; D307-T309 PolarHBondContact OD1-N 3Å; D307-T309 PolarHBondContact OD1-OG1 3.02Å; D307-T309 PolarHBondContact OD2-OG1 3.1Å
310	V	75.7	Confident	63.9	Low	33 Å²	33	73.8 Å²	73.8	20%	0.2	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.2	-174.2	-171.8	0	0	0	0	113.3	C270 H271 D307 P308	C270-V310 WeakPolarHBondContact O-CA 3.3Å; H271-V310 HydrophobicContact CB-CG2 4.45Å; H271-V310 WeakPolarHBondContact ND1-CG2 3.33Å; D307-V310 PolarHBondContact O-N 3.42Å; P308-V310 VanDerWaalsContact C-N 3.34Å; P308-V310 PolarHBondContact O-N 2.85Å
311	R	79	Confident	66.1	Low	85 Å²	85	71.1 Å²	71.1	32%	0.321	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.7	168.1	-69.1	-75.4	-179.7	134	0.5	110.6	L196 L197 L199 S269 C270	L196-R311 HydrophobicContact CB-CG 3.6Å; L196-R311 HydrophobicContact CD1-CB 4.11Å; L196-R311 HydrophobicContact CD1-CG 3.93Å; L196-R311 HydrophobicContact CG-CG 4.4Å; L196-R311 VanDerWaalsContact O-CZ 3.3Å; L196-R311 PolarHBondContact O-NE 3.17Å; L196-R311 VanDerWaalsContact O-NE 3.08Å; L196-R311 PolarHBondContact O-NH2 2.96Å; L197-R311 PolarHBondContact O-NH1 3.46Å; L197-R311 PolarHBondContact O-NH2 3.18Å; L199-R311 HydrophobicContact CB-CB 3.67Å; L199-R311 HydrophobicContact CB-CG 4.29Å; L199-R311 HydrophobicContact CD2-CB 3.69Å; L199-R311 HydrophobicContact CG-CB 4.32Å; S269-R311 WeakPolarHBondContact CA-O 3.32Å; C270-R311 PolarHBondContact N-O 2.83Å; C270-R311 PolarHBondContact O-N 2.78Å
312	R	82.9	Confident	68.5	Low	163 Å²	163	70.9 Å²	70.9	62%	0.615	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.5	178.3	-55.4	-173.5	-174.6	-178	0.1	111.1	L199 L267 Y268	L199-R312 VanDerWaalsContact CD2-C 3.5Å; L267-R312 HydrophobicContact CD1-CB 4.2Å; Y268-R312 CarbonylContact O-C 3.59Å; Y268-R312 VanDerWaalsContact O-CA 3.32Å; Y268-R312 WeakPolarHBondContact O-CA 3.44Å
313	L	83.9	Confident	70.9	Confident	36 Å²	36	68.9 Å²	68.9	19%	0.188	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	133.6	-178.1	179.4	73.2	0	0	0	109.5	L199 L215 Y268	L199-L313 HydrophobicContact CD2-CB 3.68Å; L199-L313 HydrophobicContact CG-CB 3.89Å; L199-L313 HydrophobicContact CG-CD2 4.4Å; L215-L313 HydrophobicContact CD2-CD2 3.9Å; Y268-L313 PolarHBondContact N-O 2.68Å; Y268-L313 PolarHBondContact O-N 2.83Å
314	H	84.6	Confident	73.4	Confident	75 Å²	75	62.9 Å²	62.9	35%	0.347	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.3	175.5	-166.3	62.5	0	0	0	110.1	G266 L267 E316	G266-H314 PolarHBondContact O-ND1 2.8Å; L267-H314 HydrophobicContact CD1-CB 4.26Å; H314-E316 IonicContact CD2-OE1 2.73Å
315	L	84.3	Confident	75.9	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128	178.5	-178.4	69.5	0	0	0	109.5	N205 V207 V213 L257 D265 G266 Y268	N205-L315 WeakPolarHBondContact OD1-CA 3.37Å; V207-L315 HydrophobicContact CG2-CD1 4.01Å; V213-L315 HydrophobicContact CG1-CD1 4.05Å; L257-L315 HydrophobicContact CD1-CD2 3.45Å; L257-L315 VanDerWaalsContact CD1-CD2 3.45Å; D265-L315 WeakPolarHBondContact CA-O 3.34Å; G266-L315 PolarHBondContact N-O 2.97Å; G266-L315 PolarHBondContact O-N 3.04Å; Y268-L315 HydrophobicContact CD2-CB 4.01Å; Y268-L315 HydrophobicContact CE2-CB 3.96Å; Y268-L315 HydrophobicContact CE2-CD2 3.84Å
316	E	82.7	Confident	78.2	Confident	64 Å²	64	57.8 Å²	57.8	30%	0.299	29%	0.29	S	S	.	.			trans	-119.5	134.1	-177.2	-70	179.8	-132.7	0	0	111.5	N205 P206 V207 D265 H314	N205-E316 PolarHBondContact OD1-N 2.89Å; P206-E316 HydrophobicContact CB-CB 3.84Å; V207-E316 PolarHBondContact N-O 3.42Å; D265-E316 WeakPolarHBondContact OD2-CA 3.49Å; H314-E316 IonicContact CD2-OE1 2.73Å
317	V	84.9	Confident	80.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.5	-172.9	-171.5	0	0	0	0	111.1	V207 I209 V260 D265 K350	V207-V317 CarbonylContact O-C 3.55Å; V207-V317 VanDerWaalsContact O-CA 3.32Å; V207-V317 WeakPolarHBondContact O-CA 3.37Å; I209-V317 HydrophobicContact CB-CG1 4.32Å; V260-V317 HydrophobicContact CG1-CB 4.33Å; V260-V317 HydrophobicContact CG1-CG1 3.89Å; V260-V317 HydrophobicContact CG1-CG2 3.44Å; V260-V317 VanDerWaalsContact CG1-CG2 3.44Å; D265-V317 HydrophobicContact CB-CB 4.43Å; D265-V317 HydrophobicContact CB-CG2 4.05Å; D265-V317 PolarHBondContact OD2-N 3.14Å; V317-K350 WeakPolarHBondContact O-CD 3.38Å
318	F	86.8	Confident	81.4	Confident	39 Å²	39	48.7 Å²	48.7	17%	0.171	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.9	-178.9	-76.1	11.7	0	0	0	112.2	P206 V207 K208 I209 K350 P351 V416	P206-F318 HydrophobicContact CB-CD1 4Å; P206-F318 HydrophobicContact CB-CE1 3.53Å; P206-F318 HydrophobicContact CB-CE2 4.27Å; P206-F318 HydrophobicContact CB-CZ 3.69Å; P206-F318 HydrophobicContact CG-CE1 3.85Å; P206-F318 HydrophobicContact CG-CE2 3.81Å; P206-F318 HydrophobicContact CG-CZ 3.43Å; P206-F318 VanDerWaalsContact CG-CZ 3.43Å; V207-F318 PolarHBondContact O-N 3.03Å; K208-F318 HydrophobicContact CG-CB 4.42Å; I209-F318 PolarHBondContact N-O 2.8Å; F318-K350 CarbonylContact C-O 3.59Å; F318-K350 WeakPolarHBondContact CA-O 3.31Å; F318-K350 WeakPolarHBondContact CB-O 3.32Å; F318-K350 HydrophobicContact CD1-CG 4.26Å; F318-P351 HydrophobicContact CD2-CG 4.5Å; F318-P351 HydrophobicContact CE2-CG 4.16Å; F318-P351 HydrophobicContact CZ-CB 4.45Å; F318-P351 HydrophobicContact CZ-CG 4.16Å; F318-V416 HydrophobicContact CB-CG2 4.16Å
319	H	83.3	Confident	82.4	Confident	41 Å²	41	52.5 Å²	52.5	19%	0.19	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-149	152.7	-179.4	70.3	91.2	0	0	0	111.9	I209 G349 K350	I209-H319 HydrophobicContact CB-CB 4.11Å; I209-H319 HydrophobicContact CD1-CB 4.15Å; I209-H319 HydrophobicContact CG2-CB 3.95Å; H319-G349 PolarHBondContact CE1-N 2.9Å; H319-G349 VanDerWaalsContact CE1-N 3.35Å; H319-G349 CarbonylContact O-C 2.9Å; H319-G349 WeakPolarHBondContact O-CA 3.31Å; H319-K350 PolarHBondContact N-O 3.07Å; H319-K350 PolarHBondContact O-N 2.71Å; H319-K350 VanDerWaalsContact O-O 3.07Å
320	P	79.1	Confident	83	Confident	58 Å²	58	54.3 Å²	54.3	38%	0.377	28%	0.276	S	S	.	.			trans	-75.9	165.8	-178.7	32.5	-35.6	0	0	0	113.2	V416	P320-V416 HydrophobicContact CB-CG1 4.25Å; P320-V416 HydrophobicContact CG-CG1 4.48Å
321	P	76.5	Confident	83	Confident	16 Å²	16	60.1 Å²	60.1	10%	0.104	30%	0.301	C	S	.	.			trans	-70.1	155	167.3	30.3	-35.4	0	0	0	112.4	I346 G348 P353 I417	P321-I346 HydrophobicContact CB-CD1 4.07Å; P321-I346 HydrophobicContact CB-CG1 3.87Å; P321-I346 HydrophobicContact CG-CD1 4.38Å; P321-G348 WeakPolarHBondContact CA-O 3.25Å; P321-G348 VanDerWaalsContact CB-O 3.28Å; P321-G348 WeakPolarHBondContact CB-O 3.5Å; P321-P353 HydrophobicContact CB-CG 4.39Å; P321-I417 HydrophobicContact CG-CD1 3.77Å
322	T	78.9	Confident	82.7	Confident	114 Å²	114	60.7 Å²	60.7	70%	0.699	31%	0.307	S	S	*	.	S	Bend	trans	-92.2	-37.5	-173	-39.8	0	0	0	0	113.4	H347	T322-H347 WeakPolarHBondContact CB-O 3.17Å; T322-H347 PolarHBondContact N-O 3.09Å; T322-H347 PolarHBondContact OG1-O 2.92Å
323	S	80.4	Confident	82.1	Confident	39 Å²	39	57.6 Å²	57.6	27%	0.273	31%	0.308	S	S	.	.			trans	-161.8	158.9	-179.1	55.2	0	0	0	0	111.5	I346 H347	S323-I346 WeakPolarHBondContact O-CA 3.18Å; S323-H347 PolarHBondContact O-N 2.94Å; S323-H347 VanDerWaalsContact O-N 3.16Å; S323-H347 PolarHBondContact OG-CD2 2.89Å; S323-H347 VanDerWaalsContact OG-CD2 3.22Å
324	L	82.9	Confident	81.9	Confident	11 Å²	11	56 Å²	56	6%	0.058	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	110.9	-175	-176.3	72.9	0	0	0	110.2	C344 H345 I346 A412 M421	L324-C344 WeakPolarHBondContact CD1-SG 3.06Å; L324-H345 WeakPolarHBondContact CA-O 3.37Å; L324-I346 HydrophobicContact CD1-CB 4.27Å; L324-I346 HydrophobicContact CD1-CD1 3.72Å; L324-I346 HydrophobicContact CD1-CG1 3.9Å; L324-A412 HydrophobicContact CD1-CB 3.97Å; L324-A412 HydrophobicContact CD2-CB 4.01Å; L324-M421 HydrophobicContact CB-CE 3.98Å; L324-M421 HydrophobicContact CB-CG 4.27Å; L324-M421 HydrophobicContact CB-SD 3.99Å; L324-M421 HydrophobicContact CD2-CB 4.38Å; L324-M421 HydrophobicContact CD2-CG 4.09Å; L324-M421 VanDerWaalsContact CD2-O 3.23Å; L324-M421 WeakPolarHBondContact CD2-O 3.14Å
325	N	85.9	Confident	81.8	Confident	91 Å²	91	57.9 Å²	57.9	49%	0.487	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.6	-175.4	-71.9	-37.9	0	0	0	111.6	C344 H345	N325-C344 CarbonylContact O-C 3.42Å; N325-C344 WeakPolarHBondContact O-CA 3.34Å; N325-H345 PolarHBondContact N-O 3.3Å; N325-H345 PolarHBondContact O-N 3.28Å
326	I	88.7	Confident	81.6	Confident	23 Å²	23	59.8 Å²	59.8	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.4	170.8	-165.9	169.3	0	0	0	111.2	F342 F357 S423 L424 I426	I326-F342 HydrophobicContact CD1-CB 4.24Å; I326-F342 HydrophobicContact CD1-CD1 4.06Å; I326-F342 HydrophobicContact CD1-CG 4.47Å; I326-F342 HydrophobicContact CG1-CD1 4.47Å; I326-F357 HydrophobicContact CD1-CD1 4.26Å; I326-F357 HydrophobicContact CD1-CE1 4.11Å; I326-S423 WeakPolarHBondContact CG2-OG 3.12Å; I326-L424 WeakPolarHBondContact CG2-O 3.25Å; I326-I426 HydrophobicContact CG1-CD1 4.26Å; I326-I426 HydrophobicContact CG2-CD1 4.02Å; I326-I426 HydrophobicContact CG2-CG1 4.11Å
327	T	89.2	Confident	81.5	Confident	48 Å²	48	63.9 Å²	63.9	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.2	172.7	56.5	0	0	0	0	109.9	F342 T343 H345	T327-F342 CarbonylContact O-C 3.51Å; T327-F342 WeakPolarHBondContact O-CA 3.24Å; T327-T343 PolarHBondContact N-O 3.34Å; T327-T343 PolarHBondContact O-N 2.89Å; T327-T343 PolarHBondContact OG1-O 2.79Å; T327-T343 VanDerWaalsContact OG1-O 3.14Å; T327-H345 WeakPolarHBondContact CB-NE2 3.47Å; T327-H345 WeakPolarHBondContact CG2-NE2 3.44Å; T327-H345 PolarHBondContact OG1-NE2 2.73Å
328	V	88.6	Confident	81.3	Confident	10 Å²	10	65.6 Å²	65.6	6%	0.061	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.1	176.2	67.9	0	0	0	0	110.6	Y334 V340 T341 F342 I426	V328-Y334 VanDerWaalsContact CG1-OH 3.25Å; V328-Y334 WeakPolarHBondContact CG1-OH 3.34Å; V328-Y334 WeakPolarHBondContact CG2-OH 3.29Å; V328-V340 HydrophobicContact CG2-CB 3.86Å; V328-V340 HydrophobicContact CG2-CG1 4.2Å; V328-V340 HydrophobicContact CG2-CG2 4.35Å; V328-T341 WeakPolarHBondContact CA-O 3.34Å; V328-F342 HydrophobicContact CB-CD1 3.97Å; V328-F342 HydrophobicContact CB-CE1 3.95Å; V328-F342 HydrophobicContact CG2-CD1 3.91Å; V328-F342 HydrophobicContact CG2-CE1 3.66Å; V328-F342 HydrophobicContact CG2-CZ 4.24Å; V328-I426 HydrophobicContact CB-CD1 3.86Å; V328-I426 HydrophobicContact CG1-CD1 3.99Å; V328-I426 HydrophobicContact CG1-CG2 4.09Å
329	K	82.9	Confident	81.2	Confident	120 Å²	120	68.8 Å²	68.8	52%	0.522	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.5	174.8	-67.5	174.9	-174.8	165.9	0	110	V340 T341	K329-V340 WeakPolarHBondContact O-CA 3.26Å; K329-T341 PolarHBondContact N-O 3.15Å; K329-T341 PolarHBondContact O-N 3.39Å
330	P	81.6	Confident	81.3	Confident	71 Å²	71	66.9 Å²	66.9	46%	0.461	36%	0.356	S	S	.	.	S	Bend	cis	-66.3	173.5	-7.3	30	-36.9	0	0	0	113.3	Y334 T338	P330-Y334 HydrophobicContact CG-CE1 4.42Å; P330-Y334 VanDerWaalsContact O-CE1 3.25Å; P330-Y334 WeakPolarHBondContact O-CE1 3.2Å; P330-Y334 PolarHBondContact O-OH 3.18Å; P330-T338 HydrophobicContact CG-CG2 4.34Å
331	H	75.3	Confident	81.6	Confident	156 Å²	156	65.6 Å²	65.6	72%	0.722	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-82.5	165.4	165.9	-118.2	-86.3	0	0	0	111.1	Y334	H331-Y334 WeakPolarHBondContact CA-OH 3.47Å
332	E	73.1	Confident	82.1	Confident	96 Å²	96	64.9 Å²	64.9	45%	0.449	34%	0.342	S	S	.	.	S	Bend	trans	-52.1	154.1	179	-81.3	-162.4	161.8	0	0	115.1	Y334 K429	E332-Y334 HydrophobicContact CB-CE2 4.35Å; E332-Y334 HydrophobicContact CG-CD2 3.55Å; E332-Y334 HydrophobicContact CG-CE2 3.26Å; E332-Y334 HydrophobicContact CG-CG 4.37Å; E332-Y334 PolarHBondContact N-OH 3.39Å; E332-K429 WeakPolarHBondContact OE1-CB 3.42Å; E332-K429 PolarHBondContact OE1-N 3.02Å
333	P	70.2	Confident	82.4	Confident	98 Å²	98	59.5 Å²	59.5	64%	0.636	31%	0.31	S	S	*	.	P	Polyproline II helix	cis	-89.6	147.4	8.1	34.1	-35.5	0	0	0	114.8	I431	P333-I431 HydrophobicContact CB-CD1 3.84Å; P333-I431 HydrophobicContact CG-CD1 4.48Å
334	Y	80.5	Confident	82.7	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.012	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-98.5	157.5	-179.1	-57.2	-54.8	0	0	0	113.9	V328 P330 H331 E332 T338 V340 L399 V428 I431	V328-Y334 VanDerWaalsContact CG1-OH 3.25Å; V328-Y334 WeakPolarHBondContact CG1-OH 3.34Å; V328-Y334 WeakPolarHBondContact CG2-OH 3.29Å; P330-Y334 HydrophobicContact CG-CE1 4.42Å; P330-Y334 VanDerWaalsContact O-CE1 3.25Å; P330-Y334 WeakPolarHBondContact O-CE1 3.2Å; P330-Y334 PolarHBondContact O-OH 3.18Å; H331-Y334 WeakPolarHBondContact CA-OH 3.47Å; E332-Y334 HydrophobicContact CB-CE2 4.35Å; E332-Y334 HydrophobicContact CG-CD2 3.55Å; E332-Y334 HydrophobicContact CG-CE2 3.26Å; E332-Y334 HydrophobicContact CG-CG 4.37Å; E332-Y334 PolarHBondContact N-OH 3.39Å; Y334-T338 HydrophobicContact CD1-CG2 4.26Å; Y334-V340 HydrophobicContact CD1-CG1 3.9Å; Y334-V340 HydrophobicContact CE1-CG1 3.64Å; Y334-L399 HydrophobicContact CD1-CD1 3.98Å; Y334-L399 HydrophobicContact CD2-CD1 3.97Å; Y334-L399 HydrophobicContact CG-CD1 3.61Å; Y334-V428 HydrophobicContact CD2-CB 3.97Å; Y334-V428 HydrophobicContact CD2-CG1 4.14Å; Y334-V428 HydrophobicContact CE2-CB 4.16Å; Y334-V428 HydrophobicContact CE2-CG1 3.85Å; Y334-I431 PolarHBondContact O-N 3.12Å
335	R	82.3	Confident	82.7	Confident	114 Å²	114	60.1 Å²	60.1	43%	0.43	31%	0.308	S	S	.	.			trans	-129.6	161.6	171.8	-65.4	-172.8	-175.7	105	12.3	110.5	T338 E556	R335-T338 PolarHBondContact N-OG1 2.77Å; R335-T338 VanDerWaalsContact N-OG1 3.14Å; R335-T338 VanDerWaalsContact O-CB 3.24Å; R335-T338 WeakPolarHBondContact O-CB 3.14Å; R335-T338 PolarHBondContact O-N 3.48Å; R335-T338 VanDerWaalsContact O-N 3.12Å; R335-T338 PolarHBondContact O-OG1 3.36Å; R335-E556 IonicContact CZ-OE1 3.47Å; R335-E556 IonicContact NE-OE1 3.48Å; R335-E556 PolarHBondContact NE-OE1 3.17Å; R335-E556 VanDerWaalsContact NH2-CD 3.32Å; R335-E556 IonicContact NH2-OE1 2.78Å; R335-E556 PolarHBondContact NH2-OE1 2.75Å; R335-E556 IonicContact NH2-OE2 3.85Å; R335-E556 PolarHBondContact NH2-OE2 2.93Å
336	P	79.4	Confident	82.4	Confident	43 Å²	43	56.2 Å²	56.2	28%	0.279	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	146.5	166.5	-25.2	35.1	0	0	0	111.6	T338 L399 E401 I430 I431 F432	P336-T338 PolarHBondContact O-N 3.36Å; P336-L399 CarbonylContact C-O 3.53Å; P336-L399 WeakPolarHBondContact CA-O 3.45Å; P336-E401 HydrophobicContact CB-CG 4.39Å; P336-E401 HydrophobicContact CG-CG 3.86Å; P336-I430 HydrophobicContact CG-CG2 4.07Å; P336-I431 VanDerWaalsContact CD-O 3.27Å; P336-I431 WeakPolarHBondContact CD-O 3.42Å; P336-F432 HydrophobicContact CG-CB 3.64Å
337	Q	80.5	Confident	81.8	Confident	149 Å²	149	59.8 Å²	59.8	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	13.4	-174.5	-59.6	-179.8	-13.8	0	0	115.2	N339 Q398 L399	Q337-N339 PolarHBondContact O-N 3.15Å; Q337-N339 VanDerWaalsContact O-N 3.15Å; Q337-Q398 HydrophobicContact CB-CG 4.4Å; Q337-L399 PolarHBondContact N-O 3.04Å
338	T	82.4	Confident	81	Confident	37 Å²	37	59.6 Å²	59.6	23%	0.227	31%	0.31	C	S	.	.			trans	-70	111	167.4	-53.1	0	0	0	0	108.6	P330 Y334 R335 P336 V340 L399	P330-T338 HydrophobicContact CG-CG2 4.34Å; Y334-T338 HydrophobicContact CD1-CG2 4.26Å; R335-T338 PolarHBondContact N-OG1 2.77Å; R335-T338 VanDerWaalsContact N-OG1 3.14Å; R335-T338 VanDerWaalsContact O-CB 3.24Å; R335-T338 WeakPolarHBondContact O-CB 3.14Å; R335-T338 PolarHBondContact O-N 3.48Å; R335-T338 VanDerWaalsContact O-N 3.12Å; R335-T338 PolarHBondContact O-OG1 3.36Å; P336-T338 PolarHBondContact O-N 3.36Å; T338-V340 HydrophobicContact CG2-CG1 4.05Å; T338-V340 PolarHBondContact O-N 3.17Å; T338-L399 PolarHBondContact O-N 3.19Å
339	N	83.6	Confident	80.3	Confident	107 Å²	107	59.8 Å²	59.8	57%	0.572	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	108.6	168.7	-66.7	4.3	0	0	0	107.9	Q337 W397 Q398	Q337-N339 PolarHBondContact O-N 3.15Å; Q337-N339 VanDerWaalsContact O-N 3.15Å; N339-W397 CarbonylContact C-O 3.56Å; N339-W397 WeakPolarHBondContact CA-O 3.48Å; N339-Q398 WeakPolarHBondContact OD1-CB 3.34Å; N339-Q398 VanDerWaalsContact OD1-CG 3.29Å; N339-Q398 WeakPolarHBondContact OD1-CG 3.36Å; N339-Q398 PolarHBondContact OD1-NE2 3.25Å
340	V	85.4	Confident	80.1	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.3	170.3	-65.3	0	0	0	0	108.9	V328 K329 Y334 T338 F342 W397 L399	V328-V340 HydrophobicContact CG2-CB 3.86Å; V328-V340 HydrophobicContact CG2-CG1 4.2Å; V328-V340 HydrophobicContact CG2-CG2 4.35Å; K329-V340 WeakPolarHBondContact O-CA 3.26Å; Y334-V340 HydrophobicContact CD1-CG1 3.9Å; Y334-V340 HydrophobicContact CE1-CG1 3.64Å; T338-V340 HydrophobicContact CG2-CG1 4.05Å; T338-V340 PolarHBondContact O-N 3.17Å; V340-F342 HydrophobicContact CG2-CD2 4.06Å; V340-F342 HydrophobicContact CG2-CE2 3.55Å; V340-F342 HydrophobicContact CG2-CZ 3.95Å; V340-W397 HydrophobicContact CG2-CB 4.26Å; V340-W397 PolarHBondContact N-O 3.27Å; V340-W397 PolarHBondContact O-N 2.66Å; V340-W397 VanDerWaalsContact O-O 3.13Å; V340-L399 HydrophobicContact CG1-CD1 3.66Å; V340-L399 HydrophobicContact CG1-CG 4.3Å; V340-L399 HydrophobicContact CG2-CD1 4.02Å; V340-L399 HydrophobicContact CG2-CD2 4.3Å; V340-L399 HydrophobicContact CG2-CG 3.84Å
341	T	85.4	Confident	79.6	Confident	31 Å²	31	55.3 Å²	55.3	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.8	166.4	-54.7	0	0	0	0	107.8	V328 K329 E394 L395	V328-T341 WeakPolarHBondContact CA-O 3.34Å; K329-T341 PolarHBondContact N-O 3.15Å; K329-T341 PolarHBondContact O-N 3.39Å; T341-E394 HydrophobicContact CG2-CB 3.73Å; T341-E394 HydrophobicContact CG2-CG 3.66Å; T341-L395 WeakPolarHBondContact CA-O 3.45Å
342	F	87.2	Confident	79.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	103.5	162.1	-68	-74.1	0	0	0	107.7	I326 T327 V328 V340 F357 L395 W397 F408 I426	I326-F342 HydrophobicContact CD1-CB 4.24Å; I326-F342 HydrophobicContact CD1-CD1 4.06Å; I326-F342 HydrophobicContact CD1-CG 4.47Å; I326-F342 HydrophobicContact CG1-CD1 4.47Å; T327-F342 CarbonylContact O-C 3.51Å; T327-F342 WeakPolarHBondContact O-CA 3.24Å; V328-F342 HydrophobicContact CB-CD1 3.97Å; V328-F342 HydrophobicContact CB-CE1 3.95Å; V328-F342 HydrophobicContact CG2-CD1 3.91Å; V328-F342 HydrophobicContact CG2-CE1 3.66Å; V328-F342 HydrophobicContact CG2-CZ 4.24Å; V340-F342 HydrophobicContact CG2-CD2 4.06Å; V340-F342 HydrophobicContact CG2-CE2 3.55Å; V340-F342 HydrophobicContact CG2-CZ 3.95Å; F342-F357 HydrophobicContact CB-CD1 4.34Å; F342-F357 HydrophobicContact CB-CE1 3.84Å; F342-F357 WeakPolarHBondContact O-CZ 3.27Å; F342-L395 HydrophobicContact CB-CB 4.37Å; F342-L395 HydrophobicContact CD2-CD2 4.45Å; F342-L395 PolarHBondContact N-O 3.31Å; F342-L395 PolarHBondContact O-N 3.3Å; F342-W397 HydrophobicContact CD2-CB 3.94Å; F342-W397 HydrophobicContact CE2-CB 3.93Å; F342-W397 HydrophobicContact CE2-CG 4.34Å; F342-F408 HydrophobicContact CD1-CB 4.4Å; F342-F408 HydrophobicContact CD2-CD1 4.36Å; F342-F408 HydrophobicContact CE1-CB 3.81Å; F342-F408 HydrophobicContact CE1-CD2 4.49Å; F342-F408 HydrophobicContact CE1-CG 4.13Å; F342-F408 HydrophobicContact CE2-CB 4.25Å; F342-F408 AromaticContact CE2-CD1 3.66Å; F342-F408 HydrophobicContact CE2-CD1 3.66Å; F342-F408 HydrophobicContact CE2-CD2 4.28Å; F342-F408 AromaticContact CE2-CE1 3.98Å; F342-F408 HydrophobicContact CE2-CE1 3.98Å; F342-F408 AromaticContact CE2-CG 3.82Å; F342-F408 HydrophobicContact CE2-CG 3.82Å; F342-F408 HydrophobicContact CE2-CZ 4.43Å; F342-F408 HydrophobicContact CZ-CB 3.72Å; F342-F408 AromaticContact CZ-CD1 3.87Å; F342-F408 HydrophobicContact CZ-CD1 3.87Å; F342-F408 AromaticContact CZ-CD2 3.71Å; F342-F408 HydrophobicContact CZ-CD2 3.71Å; F342-F408 HydrophobicContact CZ-CE1 4.38Å; F342-F408 HydrophobicContact CZ-CE2 4.26Å; F342-F408 AromaticContact CZ-CG 3.5Å; F342-F408 HydrophobicContact CZ-CG 3.5Å; F342-F408 VanDerWaalsContact CZ-CG 3.5Å; F342-I426 HydrophobicContact CD1-CD1 4.4Å; F342-I426 HydrophobicContact CE1-CB 4.43Å; F342-I426 HydrophobicContact CE1-CD1 4.44Å; F342-I426 HydrophobicContact CE1-CG2 4.44Å
343	T	85.5	Confident	79.5	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.3	175.2	-46.6	0	0	0	0	108.7	T327 H345 E394	T327-T343 PolarHBondContact N-O 3.34Å; T327-T343 PolarHBondContact O-N 2.89Å; T327-T343 PolarHBondContact OG1-O 2.79Å; T327-T343 VanDerWaalsContact OG1-O 3.14Å; T343-H345 WeakPolarHBondContact CB-NE2 3.38Å; T343-H345 WeakPolarHBondContact CG2-CE1 3.33Å; T343-H345 PolarHBondContact O-CD2 3.15Å; T343-E394 HydrophobicContact CG2-CG 4.05Å
344	C	86	Confident	79.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.6	170.6	-170.4	0	0	0	0	108.3	L324 N325 I355 F357 S392 T393 C410	L324-C344 WeakPolarHBondContact CD1-SG 3.06Å; N325-C344 CarbonylContact O-C 3.42Å; N325-C344 WeakPolarHBondContact O-CA 3.34Å; C344-I355 HydrophobicContact CB-CG2 4.21Å; C344-F357 HydrophobicContact CB-CE1 3.84Å; C344-F357 HydrophobicContact CB-CE2 4.36Å; C344-F357 HydrophobicContact CB-CZ 3.51Å; C344-S392 VanDerWaalsContact O-CA 3.28Å; C344-S392 WeakPolarHBondContact O-CA 3.44Å; C344-S392 WeakPolarHBondContact O-CB 3.42Å; C344-T393 PolarHBondContact N-O 2.9Å; C344-T393 PolarHBondContact O-N 2.6Å; C344-C410 HydrophobicContact CB-CB 3.71Å; C344-C410 WeakPolarHBondContact CB-SG 3.41Å; C344-C410 WeakPolarHBondContact SG-CB 3.44Å; C344-C410 CovalentContact SG-SG 2.04Å; C344-C410 PolarHBondContact SG-SG 3.17Å
345	H	83.7	Confident	79.6	Confident	62 Å²	62	50.2 Å²	50.2	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.7	179.8	-54.8	-86.2	0	0	0	109.1	L324 N325 T327 T343	L324-H345 WeakPolarHBondContact CA-O 3.37Å; N325-H345 PolarHBondContact N-O 3.3Å; N325-H345 PolarHBondContact O-N 3.28Å; T327-H345 WeakPolarHBondContact CB-NE2 3.47Å; T327-H345 WeakPolarHBondContact CG2-NE2 3.44Å; T327-H345 PolarHBondContact OG1-NE2 2.73Å; T343-H345 WeakPolarHBondContact CB-NE2 3.38Å; T343-H345 WeakPolarHBondContact CG2-CE1 3.33Å; T343-H345 PolarHBondContact O-CD2 3.15Å
346	I	79.4	Confident	79.5	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.8	175.5	-150.3	163.2	0	0	0	110	P321 S323 L324 G348 P353 I355 E391 A412	P321-I346 HydrophobicContact CB-CD1 4.07Å; P321-I346 HydrophobicContact CB-CG1 3.87Å; P321-I346 HydrophobicContact CG-CD1 4.38Å; S323-I346 WeakPolarHBondContact O-CA 3.18Å; L324-I346 HydrophobicContact CD1-CB 4.27Å; L324-I346 HydrophobicContact CD1-CD1 3.72Å; L324-I346 HydrophobicContact CD1-CG1 3.9Å; I346-G348 PolarHBondContact O-N 2.7Å; I346-P353 HydrophobicContact CD1-CB 3.93Å; I346-P353 HydrophobicContact CD1-CG 3.58Å; I346-P353 HydrophobicContact CG1-CG 4.3Å; I346-P353 HydrophobicContact CG2-CG 4.14Å; I346-I355 HydrophobicContact CB-CD1 3.91Å; I346-I355 HydrophobicContact CD1-CD1 3.97Å; I346-I355 HydrophobicContact CD1-CG1 4.04Å; I346-I355 HydrophobicContact CG2-CD1 3.81Å; I346-E391 PolarHBondContact N-O 2.93Å; I346-E391 VanDerWaalsContact N-O 3.1Å; I346-E391 VanDerWaalsContact O-O 3.13Å; I346-A412 HydrophobicContact CD1-CB 3.53Å
347	H	76.4	Confident	79.6	Confident	97 Å²	97	49.6 Å²	49.6	45%	0.449	26%	0.256	S	S	.	.			trans	-97.6	89.5	-173.8	-68.5	-75.8	0	0	0	111.3	T322 S323	T322-H347 WeakPolarHBondContact CB-O 3.17Å; T322-H347 PolarHBondContact N-O 3.09Å; T322-H347 PolarHBondContact OG1-O 2.92Å; S323-H347 PolarHBondContact O-N 2.94Å; S323-H347 VanDerWaalsContact O-N 3.16Å; S323-H347 PolarHBondContact OG-CD2 2.89Å; S323-H347 VanDerWaalsContact OG-CD2 3.22Å
348	G	71.2	Confident	79.6	Confident	44 Å²	44	44.2 Å²	44.2	45%	0.454	23%	0.23	S	C	.	.			trans	81.6	-172.4	174.4	0	0	0	0	0	115.4	P321 I346	P321-G348 WeakPolarHBondContact CA-O 3.25Å; P321-G348 VanDerWaalsContact CB-O 3.28Å; P321-G348 WeakPolarHBondContact CB-O 3.5Å; I346-G348 PolarHBondContact O-N 2.7Å
349	G	74.4	Confident	79.6	Confident	15 Å²	15	45.8 Å²	45.8	16%	0.155	23%	0.232	C	C	.	.			trans	120.4	127.5	177.5	0	0	0	0	0	112.6	H319	H319-G349 PolarHBondContact CE1-N 2.9Å; H319-G349 VanDerWaalsContact CE1-N 3.35Å; H319-G349 CarbonylContact O-C 2.9Å; H319-G349 WeakPolarHBondContact O-CA 3.31Å
350	K	77.8	Confident	79.3	Confident	56 Å²	56	42 Å²	42	24%	0.243	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-125.5	128.9	175.2	-172.5	167.9	178.6	176.9	0	109.5	D265 V317 F318 H319	D265-K350 IonicContact OD1-NZ 2.77Å; D265-K350 PolarHBondContact OD1-NZ 3.23Å; D265-K350 WeakPolarHBondContact OD2-CE 3.38Å; D265-K350 IonicContact OD2-NZ 3.43Å; D265-K350 PolarHBondContact OD2-NZ 3.28Å; V317-K350 WeakPolarHBondContact O-CD 3.38Å; F318-K350 CarbonylContact C-O 3.59Å; F318-K350 WeakPolarHBondContact CA-O 3.31Å; F318-K350 WeakPolarHBondContact CB-O 3.32Å; F318-K350 HydrophobicContact CD1-CG 4.26Å; H319-K350 PolarHBondContact N-O 3.07Å; H319-K350 PolarHBondContact O-N 2.71Å; H319-K350 VanDerWaalsContact O-O 3.07Å
351	P	72.1	Confident	78.4	Confident	40 Å²	40	46.8 Å²	46.8	26%	0.26	24%	0.236	S	C	.	.	S	Bend	cis	-64.4	160	-7.7	32.4	-37.2	0	0	0	111.2	F318 P415	F318-P351 HydrophobicContact CD2-CG 4.5Å; F318-P351 HydrophobicContact CE2-CG 4.16Å; F318-P351 HydrophobicContact CZ-CB 4.45Å; F318-P351 HydrophobicContact CZ-CG 4.16Å; P351-P415 HydrophobicContact CG-CG 4.17Å
352	K	72.1	Confident	77.2	Confident	114 Å²	114	47.8 Å²	47.8	50%	0.496	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-54.7	122	-173	-169.3	-178.9	-175.7	-174	0	110.5	T389 P390	K352-T389 PolarHBondContact NZ-O 2.77Å; K352-P390 WeakPolarHBondContact CE-O 3.29Å
353	P	73.4	Confident	75.7	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.065	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.2	141.8	-178.7	25.1	-35.2	0	0	0	112.3	P321 I346 T413	P321-P353 HydrophobicContact CB-CG 4.39Å; I346-P353 HydrophobicContact CD1-CB 3.93Å; I346-P353 HydrophobicContact CD1-CG 3.58Å; I346-P353 HydrophobicContact CG1-CG 4.3Å; I346-P353 HydrophobicContact CG2-CG 4.14Å; P353-T413 CarbonylContact C-O 3.48Å; P353-T413 VanDerWaalsContact CA-O 3.29Å; P353-T413 WeakPolarHBondContact CA-O 3.25Å; P353-T413 WeakPolarHBondContact CB-O 3.29Å
354	L	76	Confident	74.2	Confident	100 Å²	100	54.4 Å²	54.4	52%	0.524	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138.2	172.3	-65.3	170.6	0	0	0	109.1	Y356 A412 T413	L354-Y356 HydrophobicContact CB-CE2 3.89Å; L354-A412 CarbonylContact O-C 3.45Å; L354-A412 VanDerWaalsContact O-CA 3.25Å; L354-A412 WeakPolarHBondContact O-CA 3.31Å; L354-T413 PolarHBondContact N-O 3.05Å; L354-T413 PolarHBondContact O-N 2.6Å
355	I	77.7	Confident	72.5	Confident	22 Å²	22	60 Å²	60	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.2	-176.5	-54.6	171.4	0	0	0	109.9	C344 I346 T393 C410 A411 A412	C344-I355 HydrophobicContact CB-CG2 4.21Å; I346-I355 HydrophobicContact CB-CD1 3.91Å; I346-I355 HydrophobicContact CD1-CD1 3.97Å; I346-I355 HydrophobicContact CD1-CG1 4.04Å; I346-I355 HydrophobicContact CG2-CD1 3.81Å; I355-T393 HydrophobicContact CB-CG2 4.2Å; I355-T393 HydrophobicContact CD1-CG2 4.17Å; I355-T393 WeakPolarHBondContact CD1-OG1 3.35Å; I355-T393 VanDerWaalsContact CG2-OG1 3.27Å; I355-T393 WeakPolarHBondContact CG2-OG1 3.34Å; I355-C410 HydrophobicContact CG2-CB 4.35Å; I355-A411 CarbonylContact C-O 3.36Å; I355-A411 WeakPolarHBondContact CA-O 3.36Å; I355-A412 HydrophobicContact CG1-CB 4.31Å
356	Y	80.2	Confident	70.7	Confident	116 Å²	116	63.5 Å²	63.5	46%	0.455	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.3	-178.5	-52.2	-90.2	0	0	0	109.6	L354 C410 A411 T413	L354-Y356 HydrophobicContact CB-CE2 3.89Å; Y356-C410 CarbonylContact O-C 3.07Å; Y356-C410 WeakPolarHBondContact O-CA 3.47Å; Y356-C410 WeakPolarHBondContact O-CB 3.39Å; Y356-A411 PolarHBondContact N-O 2.65Å; Y356-A411 PolarHBondContact O-N 3.46Å; Y356-T413 HydrophobicContact CE2-CG2 4.07Å
357	F	81.7	Confident	69.3	Low	29 Å²	29	71.3 Å²	71.3	13%	0.127	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.8	173.5	-72.4	-95.2	0	0	0	110.2	I326 F342 C344 L395 G409 C410	I326-F357 HydrophobicContact CD1-CD1 4.26Å; I326-F357 HydrophobicContact CD1-CE1 4.11Å; F342-F357 HydrophobicContact CB-CD1 4.34Å; F342-F357 HydrophobicContact CB-CE1 3.84Å; F342-F357 WeakPolarHBondContact O-CZ 3.27Å; C344-F357 HydrophobicContact CB-CE1 3.84Å; C344-F357 HydrophobicContact CB-CE2 4.36Å; C344-F357 HydrophobicContact CB-CZ 3.51Å; F357-L395 HydrophobicContact CB-CD2 3.77Å; F357-L395 HydrophobicContact CD1-CB 3.99Å; F357-L395 HydrophobicContact CD1-CD2 3.95Å; F357-L395 HydrophobicContact CD2-CB 3.73Å; F357-L395 HydrophobicContact CD2-CD2 4.27Å; F357-L395 HydrophobicContact CE1-CB 3.88Å; F357-L395 HydrophobicContact CE2-CB 3.62Å; F357-L395 HydrophobicContact CG-CB 3.91Å; F357-L395 HydrophobicContact CG-CD2 3.74Å; F357-L395 HydrophobicContact CG-CG 4.43Å; F357-L395 HydrophobicContact CZ-CB 3.68Å; F357-G409 WeakPolarHBondContact CA-O 3.27Å; F357-C410 HydrophobicContact CD1-CB 3.88Å; F357-C410 HydrophobicContact CE1-CB 3.95Å; F357-C410 HydrophobicContact CG-CB 4.35Å; F357-C410 HydrophobicContact CZ-CB 4.47Å
358	Y	80.7	Confident	67.9	Low	35 Å²	35	72 Å²	72	14%	0.137	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.5	177.3	66.1	-94.2	0	0	0	111.7	I360 I372 F408 G409 F422 S423	Y358-I360 HydrophobicContact CD2-CD1 4.25Å; Y358-I360 HydrophobicContact CD2-CG1 4.29Å; Y358-I360 HydrophobicContact CE2-CD1 4.26Å; Y358-I372 HydrophobicContact CE2-CD1 4.27Å; Y358-F408 WeakPolarHBondContact O-CA 3.19Å; Y358-G409 WeakPolarHBondContact CD1-O 3.5Å; Y358-G409 VanDerWaalsContact CE1-C 3.4Å; Y358-G409 PolarHBondContact N-O 3.39Å; Y358-G409 PolarHBondContact O-N 2.79Å; Y358-F422 HydrophobicContact CE1-CD1 4.01Å; Y358-S423 PolarHBondContact OH-O 3.48Å
359	R	82.1	Confident	67	Low	71 Å²	71	73.3 Å²	73.3	27%	0.268	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.3	-178.3	172.7	-168.2	160.7	157.1	10.2	109.1	N361 A402 D403 S407 F408	R359-N361 VanDerWaalsContact CZ-OD1 3.24Å; R359-N361 PolarHBondContact NE-OD1 2.88Å; R359-N361 PolarHBondContact NH2-ND2 3.19Å; R359-N361 PolarHBondContact NH2-OD1 2.73Å; R359-A402 PolarHBondContact NH2-O 2.86Å; R359-D403 IonicContact CZ-OD1 2.67Å; R359-D403 IonicContact NH1-OD1 2.71Å; R359-D403 PolarHBondContact NH1-OD1 2.77Å; R359-D403 IonicContact NH2-OD1 3.96Å; R359-D403 PolarHBondContact NH2-OD1 2.9Å; R359-S407 CarbonylContact C-O 3.6Å; R359-S407 WeakPolarHBondContact CA-O 3.33Å; R359-F408 HydrophobicContact CB-CD1 4.15Å; R359-F408 HydrophobicContact CB-CE1 4.08Å; R359-F408 HydrophobicContact CG-CD1 4.33Å; R359-F408 HydrophobicContact CG-CE1 3.91Å; R359-F408 HydrophobicContact CG-CZ 4.06Å
360	I	76.7	Confident	65.8	Low	26 Å²	26	76.4 Å²	76.4	13%	0.133	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.5	178.6	-53.4	176.8	0	0	0	109.2	Y358 A362 L364 A406 S407	Y358-I360 HydrophobicContact CD2-CD1 4.25Å; Y358-I360 HydrophobicContact CD2-CG1 4.29Å; Y358-I360 HydrophobicContact CE2-CD1 4.26Å; I360-A362 HydrophobicContact CG2-CB 4.3Å; I360-L364 HydrophobicContact CB-CD1 4.36Å; I360-L364 HydrophobicContact CD1-CD1 3.64Å; I360-L364 HydrophobicContact CG2-CD1 3.86Å; I360-L364 HydrophobicContact CG2-CG 4.49Å; I360-A406 WeakPolarHBondContact O-CA 3.39Å; I360-S407 PolarHBondContact N-O 2.84Å; I360-S407 PolarHBondContact O-N 2.83Å
361	N	66.7	Low	64.3	Low	102 Å²	102	78.9 Å²	78.9	55%	0.545	41%	0.413	S	S	.	.			trans	-97.5	-3.2	-178.2	-73.9	-5.1	0	0	0	114.2	R359	R359-N361 VanDerWaalsContact CZ-OD1 3.24Å; R359-N361 PolarHBondContact NE-OD1 2.88Å; R359-N361 PolarHBondContact NH2-ND2 3.19Å; R359-N361 PolarHBondContact NH2-OD1 2.73Å
362	A	60.3	Low	63.4	Low	52 Å²	52	80 Å²	80	43%	0.43	42%	0.415	S	S	.	.	S	Bend	trans	-85.1	145.9	175.9	0	0	0	0	0	111.1	I360 L364	I360-A362 HydrophobicContact CG2-CB 4.3Å; A362-L364 VanDerWaalsContact C-N 3.35Å; A362-L364 PolarHBondContact O-N 2.82Å
363	P	55.9	Low	62.1	Low	93 Å²	93	80.4 Å²	80.4	60%	0.604	42%	0.419	S	S	*	.			trans	-68.9	92	169.1	29.3	-33.3	0	0	0	109.9	D365	P363-D365 PolarHBondContact O-N 2.86Å
364	L	53.7	Low	60.4	Low	48 Å²	48	83.3 Å²	83.3	25%	0.251	44%	0.439	S	S	.	.			trans	-76.4	97.3	172.1	-86.5	166.1	0	0	0	109.8	I360 A362 R427	I360-L364 HydrophobicContact CB-CD1 4.36Å; I360-L364 HydrophobicContact CD1-CD1 3.64Å; I360-L364 HydrophobicContact CG2-CD1 3.86Å; I360-L364 HydrophobicContact CG2-CG 4.49Å; A362-L364 VanDerWaalsContact C-N 3.35Å; A362-L364 PolarHBondContact O-N 2.82Å; L364-R427 PolarHBondContact O-NH2 3.2Å
365	D	49.9	Very low	58.4	Low	117 Å²	117	86.3 Å²	86.3	63%	0.626	46%	0.456	S	S	*	.			trans	-92.4	127.9	173	-68.1	-22.6	0	0	0	110.9	P363 R427	P363-D365 PolarHBondContact O-N 2.86Å; D365-R427 IonicContact OD1-CZ 3.59Å; D365-R427 IonicContact OD1-NH1 3.71Å; D365-R427 PolarHBondContact OD1-NH1 3.14Å; D365-R427 IonicContact OD1-NH2 3.9Å
366	N	45.6	Very low	56.4	Low	136 Å²	136	89.7 Å²	89.7	73%	0.727	48%	0.482	S	S	*	.	S	Bend	trans	71.4	159.4	-173.3	-50.6	-42.8	0	0	0	116.4	N368	N366-N368 VanDerWaalsContact C-N 3.25Å; N366-N368 PolarHBondContact O-N 2.74Å
367	E	50.7	Low	54.3	Low	174 Å²	174	92.1 Å²	92.1	81%	0.813	50%	0.495	S	S	*	.			trans	-80.3	22.5	-152.6	-55.1	178.9	130.1	0	0	115.9	I369	E367-I369 PolarHBondContact O-N 2.8Å
368	N	47	Very low	52	Low	111 Å²	111	96.8 Å²	96.8	59%	0.594	53%	0.526	S	S	*	.			trans	-79.4	82.3	-170.3	-82.5	-20.2	0	0	0	113.9	N366 S370	N366-N368 VanDerWaalsContact C-N 3.25Å; N366-N368 PolarHBondContact O-N 2.74Å; N368-S370 PolarHBondContact O-N 3.44Å; N368-S370 VanDerWaalsContact O-N 3.09Å
369	I	53.2	Low	50	Low	73 Å²	73	98.7 Å²	98.7	37%	0.374	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-57.6	-17.8	170.3	-63.7	171.8	0	0	0	112.6	E367 L371 I372	E367-I369 PolarHBondContact O-N 2.8Å; I369-L371 VanDerWaalsContact C-N 3.26Å; I369-L371 PolarHBondContact O-N 2.95Å; I369-I372 HydrophobicContact CG2-CD1 4.45Å; I369-I372 WeakPolarHBondContact O-CB 3.46Å; I369-I372 PolarHBondContact O-N 2.97Å
370	S	48.5	Very low	47.7	Very low	79 Å²	79	104.5 Å²	104.5	55%	0.552	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-55.8	-30.8	-179	48.6	0	0	0	0	114.9	N368 I372 H373	N368-S370 PolarHBondContact O-N 3.44Å; N368-S370 VanDerWaalsContact O-N 3.09Å; S370-I372 PolarHBondContact O-N 3.37Å; S370-H373 PolarHBondContact O-N 2.95Å
371	L	47.2	Very low	46	Very low	109 Å²	109	110.4 Å²	110.4	57%	0.571	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-65.6	-16.7	176.9	-83.1	122.8	0	0	0	114.3	I369 H373 S374	I369-L371 VanDerWaalsContact C-N 3.26Å; I369-L371 PolarHBondContact O-N 2.95Å; L371-H373 VanDerWaalsContact C-N 3.33Å; L371-S374 PolarHBondContact O-OG 3.45Å
372	I	52.2	Low	44.6	Very low	62 Å²	62	113.2 Å²	113.2	32%	0.318	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-77.1	-21.7	178.3	-55.7	-179.2	0	0	0	111.4	Y358 I369 S370 F422	Y358-I372 HydrophobicContact CE2-CD1 4.27Å; I369-I372 HydrophobicContact CG2-CD1 4.45Å; I369-I372 WeakPolarHBondContact O-CB 3.46Å; I369-I372 PolarHBondContact O-N 2.97Å; S370-I372 PolarHBondContact O-N 3.37Å; I372-F422 HydrophobicContact CG2-CE1 3.78Å; I372-F422 HydrophobicContact CG2-CZ 3.94Å
373	H	45	Very low	44	Very low	123 Å²	123	112.8 Å²	112.8	57%	0.569	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-82.3	-10.8	-179.6	-92.3	66.8	0	0	0	114.6	S370 L371	S370-H373 PolarHBondContact O-N 2.95Å; L371-H373 VanDerWaalsContact C-N 3.33Å
374	S	37	Very low	43.3	Very low	71 Å²	71	116.4 Å²	116.4	50%	0.497	61%	0.611	S	S	.	*	S	Bend	trans	-98.6	101.2	-175.9	51.5	0	0	0	0	113.1	L371 S376	L371-S374 PolarHBondContact O-OG 3.45Å; S374-S376 PolarHBondContact O-N 3.08Å; S374-S376 VanDerWaalsContact O-N 3.15Å
375	N	34.7	Very low	42.8	Very low	163 Å²	163	119.9 Å²	119.9	87%	0.872	63%	0.63	S	S	*	*	S	Bend	trans	-3.6	93.7	163.6	-62.9	-12	0	0	0	116.8
376	S	34.5	Very low	42.9	Very low	94 Å²	94	117 Å²	117	66%	0.657	61%	0.614	S	S	*	*			trans	178.5	-20.2	153.3	45.5	0	0	0	0	114.4	S374 T378	S374-S376 PolarHBondContact O-N 3.08Å; S374-S376 VanDerWaalsContact O-N 3.15Å; S376-T378 VanDerWaalsContact C-N 3.29Å; S376-T378 PolarHBondContact O-N 2.98Å
377	F	37.3	Very low	43.1	Very low	166 Å²	166	113.4 Å²	113.4	73%	0.728	60%	0.597	S	S	*	*			trans	-74.8	76	179.8	-90.2	-84.8	0	0	0	113.4	S379	F377-S379 PolarHBondContact O-N 2.9Å
378	T	32.6	Very low	43.2	Very low	127 Å²	127	111.6 Å²	111.6	78%	0.779	59%	0.588	S	S	*	*			trans	-70.3	71.3	167.3	51.2	0	0	0	0	111	S376 K380	S376-T378 VanDerWaalsContact C-N 3.29Å; S376-T378 PolarHBondContact O-N 2.98Å; T378-K380 PolarHBondContact O-N 2.79Å
379	S	39.2	Very low	43.5	Very low	75 Å²	75	108.8 Å²	108.8	52%	0.524	58%	0.575	S	S	.	*			trans	-72.6	60.3	172	-170.7	0	0	0	0	111.2	F377 H381	F377-S379 PolarHBondContact O-N 2.9Å; S379-H381 PolarHBondContact O-N 2.66Å
380	K	33.7	Very low	43.3	Very low	194 Å²	194	110.7 Å²	110.7	84%	0.843	59%	0.593	S	S	*	*			trans	-74.1	49.8	171.6	-95.7	-168.1	174.1	-177	0	111.6	T378	T378-K380 PolarHBondContact O-N 2.79Å
381	H	40.4	Very low	43.7	Very low	150 Å²	150	114.1 Å²	114.1	69%	0.694	60%	0.6	S	S	*	*			trans	-113.7	89.1	160.3	-81	-70.5	0	0	0	107.8	S379 L383	S379-H381 PolarHBondContact O-N 2.66Å; H381-L383 HydrophobicContact CB-CD1 3.68Å; H381-L383 VanDerWaalsContact O-CD1 3.27Å; H381-L383 WeakPolarHBondContact O-CD1 3.49Å; H381-L383 PolarHBondContact O-N 3.48Å; H381-L383 VanDerWaalsContact O-N 3.14Å
382	I	38.7	Very low	44.5	Very low	161 Å²	161	109.7 Å²	109.7	83%	0.826	58%	0.578	S	S	*	*			trans	-67.4	106.5	162.5	-62.8	173.5	0	0	0	105.2	E384	I382-E384 PolarHBondContact O-N 3.22Å
383	L	47.2	Very low	45.5	Very low	43 Å²	43	107.2 Å²	107.2	23%	0.225	57%	0.566	C	S	.	*			trans	-74.9	109.4	-177.1	-96.8	49.4	0	0	0	109.9	H381 I386 L395 W397	H381-L383 HydrophobicContact CB-CD1 3.68Å; H381-L383 VanDerWaalsContact O-CD1 3.27Å; H381-L383 WeakPolarHBondContact O-CD1 3.49Å; H381-L383 PolarHBondContact O-N 3.48Å; H381-L383 VanDerWaalsContact O-N 3.14Å; L383-I386 WeakPolarHBondContact O-CG1 3.48Å; L383-L395 HydrophobicContact CB-CD1 3.87Å; L383-L395 HydrophobicContact CD2-CD1 3.64Å; L383-L395 HydrophobicContact CD2-CD2 3.58Å; L383-L395 HydrophobicContact CD2-CG 4.23Å; L383-L395 HydrophobicContact CG-CD1 4.22Å; L383-W397 HydrophobicContact CD1-CZ3 4.25Å; L383-W397 HydrophobicContact CD2-CE3 3.58Å; L383-W397 HydrophobicContact CD2-CZ3 3.5Å; L383-W397 HydrophobicContact CG-CE3 4.28Å; L383-W397 HydrophobicContact CG-CZ3 3.86Å
384	E	41	Very low	47.2	Very low	169 Å²	169	104 Å²	104	79%	0.79	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	141.9	161.5	-61.1	175.8	169.4	0	0	109	I382	I382-E384 PolarHBondContact O-N 3.22Å
385	N	42.7	Very low	49.3	Very low	120 Å²	120	100.8 Å²	100.8	64%	0.642	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	34	-170.8	-45.2	-75.4	0	0	0	117.1	T387	N385-T387 PolarHBondContact O-N 2.95Å
386	I	53.7	Low	51.4	Low	57 Å²	57	97.6 Å²	97.6	29%	0.292	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.3	156.3	-63.7	165.7	0	0	0	108.9	L383 Q388 T393 L395	L383-I386 WeakPolarHBondContact O-CG1 3.48Å; I386-Q388 HydrophobicContact CG2-CG 4.16Å; I386-T393 HydrophobicContact CG2-CG2 3.93Å; I386-L395 HydrophobicContact CG1-CD1 4.43Å
387	T	49	Very low	53.8	Low	60 Å²	60	95.5 Å²	95.5	37%	0.368	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.7	169.9	30.1	0	0	0	0	110	N385 E394 K396	N385-T387 PolarHBondContact O-N 2.95Å; T387-E394 PolarHBondContact N-O 2.79Å; T387-E394 PolarHBondContact O-N 2.88Å; T387-E394 WeakPolarHBondContact OG1-CB 3.46Å; T387-E394 PolarHBondContact OG1-O 2.7Å; T387-K396 PolarHBondContact OG1-NZ 2.67Å
388	Q	53.2	Low	56.1	Low	136 Å²	136	92.4 Å²	92.4	64%	0.636	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.7	177.8	-54.4	-170.5	10.7	0	0	110.7	I386 T393	I386-Q388 HydrophobicContact CG2-CG 4.16Å; Q388-T393 HydrophobicContact CB-CG2 4.48Å; Q388-T393 HydrophobicContact CG-CG2 4.08Å
389	T	51.8	Low	58.6	Low	52 Å²	52	86.4 Å²	86.4	32%	0.319	44%	0.435	S	S	.	.			trans	-96.3	177.4	165.5	73.5	0	0	0	0	109.5	K352 E391 S392	K352-T389 PolarHBondContact NZ-O 2.77Å; T389-E391 PolarHBondContact O-N 3.32Å; T389-S392 WeakPolarHBondContact CB-O 3.44Å; T389-S392 PolarHBondContact N-O 3.19Å; T389-S392 PolarHBondContact OG1-N 2.99Å; T389-S392 PolarHBondContact OG1-O 3.12Å; T389-S392 PolarHBondContact OG1-OG 2.79Å
390	P	50.4	Low	60.8	Low	114 Å²	114	85.7 Å²	85.7	74%	0.74	43%	0.428	S	S	*	.	S	Bend	trans	-60.4	-41.3	175.3	-26	36.8	0	0	0	113.4	K352	K352-P390 WeakPolarHBondContact CE-O 3.29Å
391	E	55.8	Low	63.2	Low	150 Å²	150	78.5 Å²	78.5	70%	0.701	40%	0.397	S	S	*	.	S	Bend	trans	-111.1	-12.4	-169.2	-55.9	-177	146.3	0	0	114.6	I346 T389	I346-E391 PolarHBondContact N-O 2.93Å; I346-E391 VanDerWaalsContact N-O 3.1Å; I346-E391 VanDerWaalsContact O-O 3.13Å; T389-E391 PolarHBondContact O-N 3.32Å
392	S	64.5	Low	65	Low	17 Å²	17	73.6 Å²	73.6	12%	0.119	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.2	-179.9	67.9	0	0	0	0	113.1	C344 T389	C344-S392 VanDerWaalsContact O-CA 3.28Å; C344-S392 WeakPolarHBondContact O-CA 3.44Å; C344-S392 WeakPolarHBondContact O-CB 3.42Å; T389-S392 WeakPolarHBondContact CB-O 3.44Å; T389-S392 PolarHBondContact N-O 3.19Å; T389-S392 PolarHBondContact OG1-N 2.99Å; T389-S392 PolarHBondContact OG1-O 3.12Å; T389-S392 PolarHBondContact OG1-OG 2.79Å
393	T	73.8	Confident	67.1	Low	10 Å²	10	65.9 Å²	65.9	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.1	162.6	37	0	0	0	0	109.7	C344 I355 I386 Q388	C344-T393 PolarHBondContact N-O 2.9Å; C344-T393 PolarHBondContact O-N 2.6Å; I355-T393 HydrophobicContact CB-CG2 4.2Å; I355-T393 HydrophobicContact CD1-CG2 4.17Å; I355-T393 WeakPolarHBondContact CD1-OG1 3.35Å; I355-T393 VanDerWaalsContact CG2-OG1 3.27Å; I355-T393 WeakPolarHBondContact CG2-OG1 3.34Å; I386-T393 HydrophobicContact CG2-CG2 3.93Å; Q388-T393 HydrophobicContact CB-CG2 4.48Å; Q388-T393 HydrophobicContact CG-CG2 4.08Å
394	E	79.5	Confident	68.8	Low	55 Å²	55	64.6 Å²	64.6	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.1	169.1	-73.2	-165.4	155.8	0	0	109.6	T341 T343 T387 K396	T341-E394 HydrophobicContact CG2-CB 3.73Å; T341-E394 HydrophobicContact CG2-CG 3.66Å; T343-E394 HydrophobicContact CG2-CG 4.05Å; T387-E394 PolarHBondContact N-O 2.79Å; T387-E394 PolarHBondContact O-N 2.88Å; T387-E394 WeakPolarHBondContact OG1-CB 3.46Å; T387-E394 PolarHBondContact OG1-O 2.7Å; E394-K396 IonicContact OE2-NZ 3.42Å; E394-K396 PolarHBondContact OE2-NZ 2.75Å
395	L	80.9	Confident	70.6	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.8	159.7	172.8	65.9	0	0	0	109	T341 F342 F357 L383 I386 W397	T341-L395 WeakPolarHBondContact CA-O 3.45Å; F342-L395 HydrophobicContact CB-CB 4.37Å; F342-L395 HydrophobicContact CD2-CD2 4.45Å; F342-L395 PolarHBondContact N-O 3.31Å; F342-L395 PolarHBondContact O-N 3.3Å; F357-L395 HydrophobicContact CB-CD2 3.77Å; F357-L395 HydrophobicContact CD1-CB 3.99Å; F357-L395 HydrophobicContact CD1-CD2 3.95Å; F357-L395 HydrophobicContact CD2-CB 3.73Å; F357-L395 HydrophobicContact CD2-CD2 4.27Å; F357-L395 HydrophobicContact CE1-CB 3.88Å; F357-L395 HydrophobicContact CE2-CB 3.62Å; F357-L395 HydrophobicContact CG-CB 3.91Å; F357-L395 HydrophobicContact CG-CD2 3.74Å; F357-L395 HydrophobicContact CG-CG 4.43Å; F357-L395 HydrophobicContact CZ-CB 3.68Å; L383-L395 HydrophobicContact CB-CD1 3.87Å; L383-L395 HydrophobicContact CD2-CD1 3.64Å; L383-L395 HydrophobicContact CD2-CD2 3.58Å; L383-L395 HydrophobicContact CD2-CG 4.23Å; L383-L395 HydrophobicContact CG-CD1 4.22Å; I386-L395 HydrophobicContact CG1-CD1 4.43Å; L395-W397 HydrophobicContact CD2-CB 4.49Å; L395-W397 HydrophobicContact CG-CB 4.45Å; L395-W397 PolarHBondContact O-N 2.88Å
396	K	80.6	Confident	72.5	Confident	96 Å²	96	54.7 Å²	54.7	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	98.8	172.3	-69.1	171	172.3	72.4	0	108.5	T387 E394	T387-K396 PolarHBondContact OG1-NZ 2.67Å; E394-K396 IonicContact OE2-NZ 3.42Å; E394-K396 PolarHBondContact OE2-NZ 2.75Å
397	W	83.4	Confident	73.9	Confident	51 Å²	51	52.1 Å²	52.1	19%	0.193	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.5	-179.9	-173	-98.6	0	0	0	111	N339 V340 F342 L383 L395 D403 F408	N339-W397 CarbonylContact C-O 3.56Å; N339-W397 WeakPolarHBondContact CA-O 3.48Å; V340-W397 HydrophobicContact CG2-CB 4.26Å; V340-W397 PolarHBondContact N-O 3.27Å; V340-W397 PolarHBondContact O-N 2.66Å; V340-W397 VanDerWaalsContact O-O 3.13Å; F342-W397 HydrophobicContact CD2-CB 3.94Å; F342-W397 HydrophobicContact CE2-CB 3.93Å; F342-W397 HydrophobicContact CE2-CG 4.34Å; L383-W397 HydrophobicContact CD1-CZ3 4.25Å; L383-W397 HydrophobicContact CD2-CE3 3.58Å; L383-W397 HydrophobicContact CD2-CZ3 3.5Å; L383-W397 HydrophobicContact CG-CE3 4.28Å; L383-W397 HydrophobicContact CG-CZ3 3.86Å; L395-W397 HydrophobicContact CD2-CB 4.49Å; L395-W397 HydrophobicContact CG-CB 4.45Å; L395-W397 PolarHBondContact O-N 2.88Å; W397-D403 PolarHBondContact NE1-OD2 2.79Å; W397-F408 AromaticContact CD1-CE1 3.96Å; W397-F408 AromaticContact CD1-CZ 3.92Å; W397-F408 HydrophobicContact CD2-CE1 4.22Å; W397-F408 HydrophobicContact CG-CE1 4.16Å; W397-F408 AromaticContact NE1-CE1 3.91Å; W397-F408 AromaticContact NE1-CZ 3.7Å
398	Q	85.4	Confident	75.7	Confident	101 Å²	101	49.5 Å²	49.5	47%	0.472	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	105.9	174.2	-177.7	165.4	57.3	0	0	109.4	Q337 N339 T400	Q337-Q398 HydrophobicContact CB-CG 4.4Å; N339-Q398 WeakPolarHBondContact OD1-CB 3.34Å; N339-Q398 VanDerWaalsContact OD1-CG 3.29Å; N339-Q398 WeakPolarHBondContact OD1-CG 3.36Å; N339-Q398 PolarHBondContact OD1-NE2 3.25Å; Q398-T400 PolarHBondContact O-N 3.02Å
399	L	85.6	Confident	77.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.228	C	C	.	.			trans	-62.6	133	-175.1	-73	172	0	0	0	112.2	Y334 P336 Q337 T338 V340 D403 F408 V428 I430	Y334-L399 HydrophobicContact CD1-CD1 3.98Å; Y334-L399 HydrophobicContact CD2-CD1 3.97Å; Y334-L399 HydrophobicContact CG-CD1 3.61Å; P336-L399 CarbonylContact C-O 3.53Å; P336-L399 WeakPolarHBondContact CA-O 3.45Å; Q337-L399 PolarHBondContact N-O 3.04Å; T338-L399 PolarHBondContact O-N 3.19Å; V340-L399 HydrophobicContact CG1-CD1 3.66Å; V340-L399 HydrophobicContact CG1-CG 4.3Å; V340-L399 HydrophobicContact CG2-CD1 4.02Å; V340-L399 HydrophobicContact CG2-CD2 4.3Å; V340-L399 HydrophobicContact CG2-CG 3.84Å; L399-D403 WeakPolarHBondContact CA-OD2 3.42Å; L399-D403 HydrophobicContact CD2-CB 4.05Å; L399-F408 HydrophobicContact CD2-CE2 4.27Å; L399-F408 HydrophobicContact CD2-CZ 4.28Å; L399-V428 HydrophobicContact CD2-CG2 4.01Å; L399-I430 HydrophobicContact CB-CD1 4.02Å; L399-I430 HydrophobicContact CD2-CD1 4.23Å; L399-I430 HydrophobicContact CG-CD1 4.49Å
400	T	85.7	Confident	78.9	Confident	60 Å²	60	40.6 Å²	40.6	37%	0.368	21%	0.213	S	C	.	.			trans	-111.3	166.5	178.1	80	0	0	0	0	112	Q398 A402 D403 I430	Q398-T400 PolarHBondContact O-N 3.02Å; T400-A402 PolarHBondContact O-N 2.83Å; T400-A402 PolarHBondContact OG1-N 3.22Å; T400-D403 PolarHBondContact N-OD2 2.96Å; T400-D403 WeakPolarHBondContact O-CB 3.29Å; T400-D403 PolarHBondContact O-N 2.89Å; T400-D403 VanDerWaalsContact OG1-CG 3.28Å; T400-D403 PolarHBondContact OG1-OD1 3.24Å; T400-I430 WeakPolarHBondContact O-CD1 3.08Å
401	E	83.3	Confident	80.5	Confident	43 Å²	43	35.3 Å²	35.3	20%	0.201	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.1	173.6	-66.1	169.6	-171.3	0	0	112.5	P336 D403 N404 F432 K461 N526	P336-E401 HydrophobicContact CB-CG 4.39Å; P336-E401 HydrophobicContact CG-CG 3.86Å; E401-D403 PolarHBondContact O-N 3.21Å; E401-N404 VanDerWaalsContact O-CB 3.27Å; E401-N404 WeakPolarHBondContact O-CB 3.28Å; E401-N404 PolarHBondContact O-N 2.84Å; E401-F432 HydrophobicContact CG-CB 4.2Å; E401-F432 HydrophobicContact CG-CD2 4.36Å; E401-F432 HydrophobicContact CG-CG 4.21Å; E401-K461 WeakPolarHBondContact OE2-CD 3.14Å; E401-K461 IonicContact OE2-NZ 2.7Å; E401-K461 PolarHBondContact OE2-NZ 3.06Å; E401-N526 HydrophobicContact CB-CB 3.92Å; E401-N526 WeakPolarHBondContact O-CB 3.25Å
402	A	79.6	Confident	81.8	Confident	46 Å²	46	28.2 Å²	28.2	38%	0.38	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-75.4	-1.3	178.2	0	0	0	0	0	113.7	R359 T400 N525	R359-A402 PolarHBondContact NH2-O 2.86Å; T400-A402 PolarHBondContact O-N 2.83Å; T400-A402 PolarHBondContact OG1-N 3.22Å; A402-N525 WeakPolarHBondContact CA-O 3.08Å; A402-N525 WeakPolarHBondContact CB-O 3.48Å
403	D	81.7	Confident	82.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-96.2	-1.2	173.8	-49.5	-10.2	0	0	0	111.3	R359 W397 L399 T400 E401 I405 A406 F408 V428 I430	R359-D403 IonicContact CZ-OD1 2.67Å; R359-D403 IonicContact NH1-OD1 2.71Å; R359-D403 PolarHBondContact NH1-OD1 2.77Å; R359-D403 IonicContact NH2-OD1 3.96Å; R359-D403 PolarHBondContact NH2-OD1 2.9Å; W397-D403 PolarHBondContact NE1-OD2 2.79Å; L399-D403 WeakPolarHBondContact CA-OD2 3.42Å; L399-D403 HydrophobicContact CD2-CB 4.05Å; T400-D403 PolarHBondContact N-OD2 2.96Å; T400-D403 WeakPolarHBondContact O-CB 3.29Å; T400-D403 PolarHBondContact O-N 2.89Å; T400-D403 VanDerWaalsContact OG1-CG 3.28Å; T400-D403 PolarHBondContact OG1-OD1 3.24Å; E401-D403 PolarHBondContact O-N 3.21Å; D403-I405 PolarHBondContact O-N 3.01Å; D403-A406 HydrophobicContact CB-CB 4.47Å; D403-A406 WeakPolarHBondContact O-CB 3.38Å; D403-A406 PolarHBondContact O-N 3.26Å; D403-F408 HydrophobicContact CB-CZ 4.47Å; D403-V428 WeakPolarHBondContact O-CG2 3.29Å; D403-I430 HydrophobicContact CB-CD1 3.76Å
404	N	83.5	Confident	82.4	Confident	16 Å²	16	29 Å²	29	9%	0.086	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	124.8	176.5	-179.6	50.1	0	0	0	110.2	E401 A406 I430 F432 N464 N526	E401-N404 VanDerWaalsContact O-CB 3.27Å; E401-N404 WeakPolarHBondContact O-CB 3.28Å; E401-N404 PolarHBondContact O-N 2.84Å; N404-A406 PolarHBondContact O-N 2.71Å; N404-I430 HydrophobicContact CB-CB 4.17Å; N404-I430 PolarHBondContact OD1-N 2.66Å; N404-F432 HydrophobicContact CB-CE1 3.91Å; N404-N464 PolarHBondContact OD1-ND2 2.91Å; N404-N526 PolarHBondContact ND2-O 2.86Å
405	I	79.6	Confident	82.1	Confident	79 Å²	79	31.3 Å²	31.3	41%	0.405	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-3	-175.5	-45.7	160.7	0	0	0	113.3	D403 V428	D403-I405 PolarHBondContact O-N 3.01Å; I405-V428 WeakPolarHBondContact CA-O 3.38Å; I405-V428 PolarHBondContact N-O 3.34Å
406	A	80.7	Confident	81.8	Confident	2 Å²	2	33.1 Å²	33.1	2%	0.017	18%	0.182	C	C	.	.			trans	-67.3	157.3	176.6	0	0	0	0	0	112.9	I360 D403 N404 F408 R427 V428	I360-A406 WeakPolarHBondContact O-CA 3.39Å; D403-A406 HydrophobicContact CB-CB 4.47Å; D403-A406 WeakPolarHBondContact O-CB 3.38Å; D403-A406 PolarHBondContact O-N 3.26Å; N404-A406 PolarHBondContact O-N 2.71Å; A406-F408 HydrophobicContact CB-CE2 4.15Å; A406-R427 WeakPolarHBondContact O-CA 3.37Å; A406-V428 PolarHBondContact O-N 2.88Å
407	S	83.2	Confident	81.3	Confident	2 Å²	2	31 Å²	31	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.2	179.5	-60.1	0	0	0	0	111.9	R359 I360 I426	R359-S407 CarbonylContact C-O 3.6Å; R359-S407 WeakPolarHBondContact CA-O 3.33Å; I360-S407 PolarHBondContact N-O 2.84Å; I360-S407 PolarHBondContact O-N 2.83Å; S407-I426 CarbonylContact C-O 3.44Å; S407-I426 WeakPolarHBondContact CA-O 3.09Å
408	F	86.6	Confident	80.3	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.2	-176.1	-68.3	-100	0	0	0	111.9	F342 Y358 R359 W397 L399 D403 A406 F425 I426 V428	F342-F408 HydrophobicContact CD1-CB 4.4Å; F342-F408 HydrophobicContact CD2-CD1 4.36Å; F342-F408 HydrophobicContact CE1-CB 3.81Å; F342-F408 HydrophobicContact CE1-CD2 4.49Å; F342-F408 HydrophobicContact CE1-CG 4.13Å; F342-F408 HydrophobicContact CE2-CB 4.25Å; F342-F408 AromaticContact CE2-CD1 3.66Å; F342-F408 HydrophobicContact CE2-CD1 3.66Å; F342-F408 HydrophobicContact CE2-CD2 4.28Å; F342-F408 AromaticContact CE2-CE1 3.98Å; F342-F408 HydrophobicContact CE2-CE1 3.98Å; F342-F408 AromaticContact CE2-CG 3.82Å; F342-F408 HydrophobicContact CE2-CG 3.82Å; F342-F408 HydrophobicContact CE2-CZ 4.43Å; F342-F408 HydrophobicContact CZ-CB 3.72Å; F342-F408 AromaticContact CZ-CD1 3.87Å; F342-F408 HydrophobicContact CZ-CD1 3.87Å; F342-F408 AromaticContact CZ-CD2 3.71Å; F342-F408 HydrophobicContact CZ-CD2 3.71Å; F342-F408 HydrophobicContact CZ-CE1 4.38Å; F342-F408 HydrophobicContact CZ-CE2 4.26Å; F342-F408 AromaticContact CZ-CG 3.5Å; F342-F408 HydrophobicContact CZ-CG 3.5Å; F342-F408 VanDerWaalsContact CZ-CG 3.5Å; Y358-F408 WeakPolarHBondContact O-CA 3.19Å; R359-F408 HydrophobicContact CB-CD1 4.15Å; R359-F408 HydrophobicContact CB-CE1 4.08Å; R359-F408 HydrophobicContact CG-CD1 4.33Å; R359-F408 HydrophobicContact CG-CE1 3.91Å; R359-F408 HydrophobicContact CG-CZ 4.06Å; W397-F408 AromaticContact CD1-CE1 3.96Å; W397-F408 AromaticContact CD1-CZ 3.92Å; W397-F408 HydrophobicContact CD2-CE1 4.22Å; W397-F408 HydrophobicContact CG-CE1 4.16Å; W397-F408 AromaticContact NE1-CE1 3.91Å; W397-F408 AromaticContact NE1-CZ 3.7Å; L399-F408 HydrophobicContact CD2-CE2 4.27Å; L399-F408 HydrophobicContact CD2-CZ 4.28Å; D403-F408 HydrophobicContact CB-CZ 4.47Å; A406-F408 HydrophobicContact CB-CE2 4.15Å; F408-F425 CarbonylContact O-C 3.46Å; F408-F425 VanDerWaalsContact O-CA 3.22Å; F408-F425 WeakPolarHBondContact O-CA 3.38Å; F408-I426 PolarHBondContact N-O 2.81Å; F408-I426 PolarHBondContact O-N 3.49Å; F408-V428 HydrophobicContact CD2-CG1 4.45Å; F408-V428 HydrophobicContact CD2-CG2 4.28Å; F408-V428 HydrophobicContact CE2-CG2 3.84Å
409	G	86.6	Confident	79.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	177.9	175.7	0	0	0	0	0	113	F357 Y358	F357-G409 WeakPolarHBondContact CA-O 3.27Å; Y358-G409 WeakPolarHBondContact CD1-O 3.5Å; Y358-G409 VanDerWaalsContact CE1-C 3.4Å; Y358-G409 PolarHBondContact N-O 3.39Å; Y358-G409 PolarHBondContact O-N 2.79Å
410	C	87	Confident	78.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.4	173.4	62.3	0	0	0	0	113.1	C344 I355 Y356 F357 S423	C344-C410 HydrophobicContact CB-CB 3.71Å; C344-C410 WeakPolarHBondContact CB-SG 3.41Å; C344-C410 WeakPolarHBondContact SG-CB 3.44Å; C344-C410 CovalentContact SG-SG 2.04Å; C344-C410 PolarHBondContact SG-SG 3.17Å; I355-C410 HydrophobicContact CG2-CB 4.35Å; Y356-C410 CarbonylContact O-C 3.07Å; Y356-C410 WeakPolarHBondContact O-CA 3.47Å; Y356-C410 WeakPolarHBondContact O-CB 3.39Å; F357-C410 HydrophobicContact CD1-CB 3.88Å; F357-C410 HydrophobicContact CE1-CB 3.95Å; F357-C410 HydrophobicContact CG-CB 4.35Å; F357-C410 HydrophobicContact CZ-CB 4.47Å; C410-S423 PolarHBondContact N-OG 2.8Å; C410-S423 PolarHBondContact O-N 3.08Å; C410-S423 PolarHBondContact O-OG 2.9Å
411	A	84	Confident	78.2	Confident	4 Å²	4	44 Å²	44	3%	0.033	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.6	178.8	0	0	0	0	0	111.2	I355 Y356 M421 F422	I355-A411 CarbonylContact C-O 3.36Å; I355-A411 WeakPolarHBondContact CA-O 3.36Å; Y356-A411 PolarHBondContact N-O 2.65Å; Y356-A411 PolarHBondContact O-N 3.46Å; A411-M421 CarbonylContact C-O 3.54Å; A411-M421 WeakPolarHBondContact CA-O 3.27Å; A411-F422 HydrophobicContact CB-CD1 3.67Å; A411-F422 HydrophobicContact CB-CE1 3.8Å; A411-F422 HydrophobicContact CB-CG 4.33Å
412	A	82	Confident	78.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	-176.2	0	0	0	0	0	113.8	L324 I346 L354 I355 M421	L324-A412 HydrophobicContact CD1-CB 3.97Å; L324-A412 HydrophobicContact CD2-CB 4.01Å; I346-A412 HydrophobicContact CD1-CB 3.53Å; L354-A412 CarbonylContact O-C 3.45Å; L354-A412 VanDerWaalsContact O-CA 3.25Å; L354-A412 WeakPolarHBondContact O-CA 3.31Å; I355-A412 HydrophobicContact CG1-CB 4.31Å; A412-M421 PolarHBondContact N-O 2.97Å; A412-M421 PolarHBondContact O-N 3.11Å
413	T	76.2	Confident	78.3	Confident	34 Å²	34	42.5 Å²	42.5	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.4	178	71.6	0	0	0	0	111.8	P353 L354 Y356 Q420	P353-T413 CarbonylContact C-O 3.48Å; P353-T413 VanDerWaalsContact CA-O 3.29Å; P353-T413 WeakPolarHBondContact CA-O 3.25Å; P353-T413 WeakPolarHBondContact CB-O 3.29Å; L354-T413 PolarHBondContact N-O 3.05Å; L354-T413 PolarHBondContact O-N 2.6Å; Y356-T413 HydrophobicContact CE2-CG2 4.07Å; T413-Q420 HydrophobicContact CG2-CB 4.39Å; T413-Q420 HydrophobicContact CG2-CG 3.85Å
414	S	76.2	Confident	78.3	Confident	11 Å²	11	49.1 Å²	49.1	8%	0.077	25%	0.254	C	S	.	.			trans	-162.5	151.8	175	162.4	0	0	0	0	109.2	V416 I417	S414-V416 PolarHBondContact O-N 3.02Å; S414-I417 PolarHBondContact O-N 3.26Å
415	P	72.5	Confident	78.2	Confident	102 Å²	102	51.7 Å²	51.7	66%	0.662	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-10.1	177.5	-25.9	35.5	0	0	0	115.9	P351	P351-P415 HydrophobicContact CG-CG 4.17Å
416	V	74.3	Confident	78.5	Confident	42 Å²	42	49.6 Å²	49.6	26%	0.255	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.5	176.3	-166.7	0	0	0	0	112.3	F318 P320 S414	F318-V416 HydrophobicContact CB-CG2 4.16Å; P320-V416 HydrophobicContact CB-CG1 4.25Å; P320-V416 HydrophobicContact CG-CG1 4.48Å; S414-V416 PolarHBondContact O-N 3.02Å
417	I	70.3	Confident	78.6	Confident	52 Å²	52	54.1 Å²	54.1	27%	0.267	27%	0.271	S	S	.	.			trans	-108.7	128.2	-174.9	-35.9	171.7	0	0	0	109.7	P321 S414 N419	P321-I417 HydrophobicContact CG-CD1 3.77Å; S414-I417 PolarHBondContact O-N 3.26Å; I417-N419 WeakPolarHBondContact CG2-O 3.47Å
418	K	62.6	Low	78.6	Confident	207 Å²	207	54.1 Å²	54.1	90%	0.9	27%	0.27	S	S	*	.	S	Bend	trans	-75.2	-32.3	-179.2	-70.2	-171.5	175.8	-174.6	0	114.4
419	N	64.8	Low	78.5	Confident	108 Å²	108	59.9 Å²	59.9	58%	0.578	30%	0.295	S	S	*	.	S	Bend	trans	-124.6	164.3	-177.3	-65.3	29.4	0	0	0	109.8	I417	I417-N419 WeakPolarHBondContact CG2-O 3.47Å
420	Q	70.4	Confident	78.5	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.491	30%	0.295	S	S	.	.			trans	-71.6	136.6	175	-52.1	-166.8	-9.2	0	0	111.1	T413 F422	T413-Q420 HydrophobicContact CG2-CB 4.39Å; T413-Q420 HydrophobicContact CG2-CG 3.85Å; Q420-F422 HydrophobicContact CB-CD2 4.44Å; Q420-F422 HydrophobicContact CB-CE2 3.74Å; Q420-F422 HydrophobicContact CB-CZ 3.94Å; Q420-F422 WeakPolarHBondContact O-CD2 3.17Å
421	M	76.5	Confident	78.5	Confident	65 Å²	65	61.5 Å²	61.5	32%	0.32	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.8	172.3	-175.1	177.9	-170.5	0	0	109.1	L324 A411 A412	L324-M421 HydrophobicContact CB-CE 3.98Å; L324-M421 HydrophobicContact CB-CG 4.27Å; L324-M421 HydrophobicContact CB-SD 3.99Å; L324-M421 HydrophobicContact CD2-CB 4.38Å; L324-M421 HydrophobicContact CD2-CG 4.09Å; L324-M421 VanDerWaalsContact CD2-O 3.23Å; L324-M421 WeakPolarHBondContact CD2-O 3.14Å; A411-M421 CarbonylContact C-O 3.54Å; A411-M421 WeakPolarHBondContact CA-O 3.27Å; A412-M421 PolarHBondContact N-O 2.97Å; A412-M421 PolarHBondContact O-N 3.11Å
422	F	81.6	Confident	78.6	Confident	52 Å²	52	61.4 Å²	61.4	23%	0.228	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.4	-176	-67.8	-90.7	0	0	0	112.4	Y358 I372 A411 Q420	Y358-F422 HydrophobicContact CE1-CD1 4.01Å; I372-F422 HydrophobicContact CG2-CE1 3.78Å; I372-F422 HydrophobicContact CG2-CZ 3.94Å; A411-F422 HydrophobicContact CB-CD1 3.67Å; A411-F422 HydrophobicContact CB-CE1 3.8Å; A411-F422 HydrophobicContact CB-CG 4.33Å; Q420-F422 HydrophobicContact CB-CD2 4.44Å; Q420-F422 HydrophobicContact CB-CE2 3.74Å; Q420-F422 HydrophobicContact CB-CZ 3.94Å; Q420-F422 WeakPolarHBondContact O-CD2 3.17Å
423	S	84.8	Confident	78.8	Confident	6 Å²	6	63.3 Å²	63.3	4%	0.042	32%	0.316	C	S	.	.			trans	-86.2	163	167.8	79.2	0	0	0	0	112	I326 Y358 C410	I326-S423 WeakPolarHBondContact CG2-OG 3.12Å; Y358-S423 PolarHBondContact OH-O 3.48Å; C410-S423 PolarHBondContact N-OG 2.8Å; C410-S423 PolarHBondContact O-N 3.08Å; C410-S423 PolarHBondContact O-OG 2.9Å
424	L	80.2	Confident	79.2	Confident	138 Å²	138	61.8 Å²	61.8	72%	0.723	31%	0.306	S	S	*	.			trans	-58.4	161.1	158.1	-63	174.8	0	0	0	110.8	I326	I326-L424 WeakPolarHBondContact CG2-O 3.25Å
425	F	82.5	Confident	79.4	Confident	70 Å²	70	64.9 Å²	64.9	31%	0.307	32%	0.32	S	S	.	.			trans	-105.8	153.5	-177.7	62.1	-96.9	0	0	0	113.4	F408	F408-F425 CarbonylContact O-C 3.46Å; F408-F425 VanDerWaalsContact O-CA 3.22Å; F408-F425 WeakPolarHBondContact O-CA 3.38Å
426	I	84.8	Confident	80	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.185	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.7	175.8	-59.5	178	0	0	0	108.2	I326 V328 F342 S407 F408 V428	I326-I426 HydrophobicContact CG1-CD1 4.26Å; I326-I426 HydrophobicContact CG2-CD1 4.02Å; I326-I426 HydrophobicContact CG2-CG1 4.11Å; V328-I426 HydrophobicContact CB-CD1 3.86Å; V328-I426 HydrophobicContact CG1-CD1 3.99Å; V328-I426 HydrophobicContact CG1-CG2 4.09Å; F342-I426 HydrophobicContact CD1-CD1 4.4Å; F342-I426 HydrophobicContact CE1-CB 4.43Å; F342-I426 HydrophobicContact CE1-CD1 4.44Å; F342-I426 HydrophobicContact CE1-CG2 4.44Å; S407-I426 CarbonylContact C-O 3.44Å; S407-I426 WeakPolarHBondContact CA-O 3.09Å; F408-I426 PolarHBondContact N-O 2.81Å; F408-I426 PolarHBondContact O-N 3.49Å; I426-V428 HydrophobicContact CG2-CG1 4.26Å
427	R	83	Confident	80.7	Confident	97 Å²	97	61 Å²	61	37%	0.366	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.8	172.8	-158.1	-177	-54.4	-154.7	2.7	108.9	L364 D365 A406	L364-R427 PolarHBondContact O-NH2 3.2Å; D365-R427 IonicContact OD1-CZ 3.59Å; D365-R427 IonicContact OD1-NH1 3.71Å; D365-R427 PolarHBondContact OD1-NH1 3.14Å; D365-R427 IonicContact OD1-NH2 3.9Å; A406-R427 WeakPolarHBondContact O-CA 3.37Å
428	V	83.4	Confident	81.5	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	30%	0.3	C	S	.	.			trans	-119.2	132.6	-175.5	-60.9	0	0	0	0	112.9	Y334 L399 D403 I405 A406 F408 I426	Y334-V428 HydrophobicContact CD2-CB 3.97Å; Y334-V428 HydrophobicContact CD2-CG1 4.14Å; Y334-V428 HydrophobicContact CE2-CB 4.16Å; Y334-V428 HydrophobicContact CE2-CG1 3.85Å; L399-V428 HydrophobicContact CD2-CG2 4.01Å; D403-V428 WeakPolarHBondContact O-CG2 3.29Å; I405-V428 WeakPolarHBondContact CA-O 3.38Å; I405-V428 PolarHBondContact N-O 3.34Å; A406-V428 PolarHBondContact O-N 2.88Å; F408-V428 HydrophobicContact CD2-CG1 4.45Å; F408-V428 HydrophobicContact CD2-CG2 4.28Å; F408-V428 HydrophobicContact CE2-CG2 3.84Å; I426-V428 HydrophobicContact CG2-CG1 4.26Å
429	K	83.9	Confident	82.9	Confident	126 Å²	126	53.6 Å²	53.6	55%	0.548	26%	0.263	S	S	.	.			trans	-107	127.2	174.7	-170.5	173.9	-176.8	175.7	0	110.6	E332	E332-K429 WeakPolarHBondContact OE1-CB 3.42Å; E332-K429 PolarHBondContact OE1-N 3.02Å
430	I	86.7	Confident	84.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-116.2	125.8	-171.3	-57.7	-180	0	0	0	109.9	P336 L399 T400 D403 N404 F432 N464	P336-I430 HydrophobicContact CG-CG2 4.07Å; L399-I430 HydrophobicContact CB-CD1 4.02Å; L399-I430 HydrophobicContact CD2-CD1 4.23Å; L399-I430 HydrophobicContact CG-CD1 4.49Å; T400-I430 WeakPolarHBondContact O-CD1 3.08Å; D403-I430 HydrophobicContact CB-CD1 3.76Å; N404-I430 HydrophobicContact CB-CB 4.17Å; N404-I430 PolarHBondContact OD1-N 2.66Å; I430-F432 HydrophobicContact CB-CD1 4.45Å; I430-F432 HydrophobicContact CG2-CD1 4.18Å; I430-F432 VanDerWaalsContact O-CD1 3.28Å; I430-F432 WeakPolarHBondContact O-CD1 3.24Å; I430-N464 PolarHBondContact O-ND2 2.85Å
431	I	87	Confident	85	Confident	35 Å²	35	46.4 Å²	46.4	18%	0.179	23%	0.232	C	C	.	.			trans	-89.6	111.3	175.5	-57.3	179	0	0	0	108.2	P333 Y334 P336 W554 E556	P333-I431 HydrophobicContact CB-CD1 3.84Å; P333-I431 HydrophobicContact CG-CD1 4.48Å; Y334-I431 PolarHBondContact O-N 3.12Å; P336-I431 VanDerWaalsContact CD-O 3.27Å; P336-I431 WeakPolarHBondContact CD-O 3.42Å; I431-W554 HydrophobicContact CG2-CH2 3.83Å; I431-W554 HydrophobicContact CG2-CZ2 3.77Å; I431-E556 HydrophobicContact CG2-CB 4.13Å; I431-E556 HydrophobicContact CG2-CG 3.84Å
432	F	87.5	Confident	85.6	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-132.5	135.5	179.4	57.7	-86.7	0	0	0	111.3	P336 E401 N404 I430 N464 N526 W554	P336-F432 HydrophobicContact CG-CB 3.64Å; E401-F432 HydrophobicContact CG-CB 4.2Å; E401-F432 HydrophobicContact CG-CD2 4.36Å; E401-F432 HydrophobicContact CG-CG 4.21Å; N404-F432 HydrophobicContact CB-CE1 3.91Å; I430-F432 HydrophobicContact CB-CD1 4.45Å; I430-F432 HydrophobicContact CG2-CD1 4.18Å; I430-F432 VanDerWaalsContact O-CD1 3.28Å; I430-F432 WeakPolarHBondContact O-CD1 3.24Å; F432-N464 HydrophobicContact CD1-CB 3.87Å; F432-N464 HydrophobicContact CE1-CB 3.53Å; F432-N464 HydrophobicContact CE2-CB 4.34Å; F432-N464 HydrophobicContact CG-CB 4.39Å; F432-N464 HydrophobicContact CZ-CB 3.79Å; F432-N464 PolarHBondContact N-O 2.04Å; F432-N464 VanDerWaalsContact N-O 3.14Å; F432-N464 PolarHBondContact O-N 2.97Å; F432-N526 HydrophobicContact CE2-CB 4.14Å; F432-N526 VanDerWaalsContact CE2-CG 3.49Å; F432-N526 HydrophobicContact CZ-CB 3.85Å; F432-W554 WeakPolarHBondContact O-CZ2 3.16Å
433	S	85.3	Confident	85.8	Confident	39 Å²	39	48.1 Å²	48.1	27%	0.273	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.9	157.3	170.7	52.2	0	0	0	0	111	Y575	S433-Y575 WeakPolarHBondContact OG-CD2 3.41Å
434	P	84.5	Confident	85.6	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.013	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-58.5	159.9	168.9	27.2	-36	0	0	0	111.6	A467 L552 W554 Y575	P434-A467 HydrophobicContact CB-CB 4.37Å; P434-A467 HydrophobicContact CG-CB 3.75Å; P434-L552 HydrophobicContact CB-CD2 3.68Å; P434-L552 HydrophobicContact CB-CG 4.5Å; P434-L552 HydrophobicContact CG-CD2 3.58Å; P434-L552 HydrophobicContact CG-CG 3.95Å; P434-W554 HydrophobicContact CG-CB 4.24Å; P434-Y575 HydrophobicContact CG-CD1 4.01Å; P434-Y575 HydrophobicContact CG-CE1 3.64Å; P434-Y575 WeakPolarHBondContact O-CE2 3.48Å; P434-Y575 PolarHBondContact O-OH 3.18Å
435	Q	81.6	Confident	85.8	Confident	76 Å²	76	48.3 Å²	48.3	36%	0.355	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-81.5	161.9	160.6	-163.1	63.4	59.8	0	0	110.3	S460 K461 Y575	Q435-S460 VanDerWaalsContact C-OG 3.26Å; Q435-S460 VanDerWaalsContact CB-OG 3.25Å; Q435-S460 WeakPolarHBondContact CB-OG 3.15Å; Q435-S460 VanDerWaalsContact CG-OG 3.32Å; Q435-S460 WeakPolarHBondContact CG-OG 3.12Å; Q435-K461 HydrophobicContact CB-CB 3.63Å; Q435-K461 HydrophobicContact CB-CD 3.98Å; Q435-K461 HydrophobicContact CB-CG 3.74Å; Q435-K461 HydrophobicContact CG-CG 4.45Å; Q435-Y575 VanDerWaalsContact C-OH 3.23Å; Q435-Y575 PolarHBondContact O-OH 3.03Å
436	D	84.2	Confident	86	Confident	52 Å²	52	47.8 Å²	47.8	28%	0.278	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-46	143.3	-170.2	-71.7	-88.4	0	0	0	114.8	S460 Y575 K577	D436-S460 PolarHBondContact N-OG 2.9Å; D436-S460 VanDerWaalsContact O-CB 3.24Å; D436-S460 WeakPolarHBondContact O-CB 3.12Å; D436-S460 PolarHBondContact O-N 2.86Å; D436-S460 VanDerWaalsContact O-N 3.12Å; D436-S460 PolarHBondContact O-OG 2.8Å; D436-Y575 PolarHBondContact N-OH 2.87Å; D436-K577 VanDerWaalsContact OD1-CD 3.29Å; D436-K577 WeakPolarHBondContact OD1-CD 3.37Å; D436-K577 WeakPolarHBondContact OD1-CE 3.36Å; D436-K577 WeakPolarHBondContact OD1-CG 3.25Å; D436-K577 IonicContact OD1-NZ 3.91Å; D436-K577 PolarHBondContact OD1-NZ 2.96Å; D436-K577 IonicContact OD2-NZ 2.72Å; D436-K577 PolarHBondContact OD2-NZ 2.81Å
437	P	88.7	Confident	86.2	Confident	12 Å²	12	46.6 Å²	46.6	8%	0.078	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.4	174	21.7	-27.8	0	0	0	112.2	Q458 L552 A579	P437-Q458 CarbonylContact C-O 3.29Å; P437-Q458 VanDerWaalsContact CA-O 3.22Å; P437-Q458 WeakPolarHBondContact CA-O 3.27Å; P437-L552 HydrophobicContact CB-CB 4.18Å; P437-L552 HydrophobicContact CB-CD2 4.34Å; P437-L552 HydrophobicContact CG-CB 3.86Å; P437-L552 HydrophobicContact CG-CD2 4.45Å; P437-A579 HydrophobicContact CB-CB 3.98Å; P437-A579 HydrophobicContact CG-CB 3.73Å; P437-A579 WeakPolarHBondContact O-CB 3.31Å
438	I	88.2	Confident	86.4	Confident	80 Å²	80	44.6 Å²	44.6	41%	0.41	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126	168.2	-57.4	171.4	0	0	0	106.5	C457 Q458	I438-C457 CarbonylContact O-C 3.57Å; I438-C457 VanDerWaalsContact O-CA 3.26Å; I438-C457 WeakPolarHBondContact O-CA 3.4Å; I438-Q458 HydrophobicContact CB-CG 4Å; I438-Q458 HydrophobicContact CD1-CG 4.4Å; I438-Q458 PolarHBondContact N-O 2.74Å; I438-Q458 PolarHBondContact O-N 2.85Å
439	L	91	Very high	86.6	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.12	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.9	-180	172.1	59	0	0	0	109.4	F455 T456 C457 W471 C550 A579 L581	L439-F455 HydrophobicContact CD1-CB 4.25Å; L439-F455 HydrophobicContact CD1-CD1 4.43Å; L439-T456 CarbonylContact C-O 3.39Å; L439-T456 WeakPolarHBondContact CA-O 3.14Å; L439-T456 WeakPolarHBondContact CD1-O 3.32Å; L439-C457 HydrophobicContact CD1-CB 4.25Å; L439-W471 HydrophobicContact CD1-CH2 3.43Å; L439-W471 VanDerWaalsContact CD1-CH2 3.43Å; L439-W471 HydrophobicContact CD1-CZ3 3.53Å; L439-C550 HydrophobicContact CD2-CB 4.36Å; L439-A579 HydrophobicContact CB-CB 3.78Å; L439-A579 HydrophobicContact CD2-CB 4.32Å; L439-L581 HydrophobicContact CD2-CB 4.23Å; L439-L581 HydrophobicContact CD2-CG 4.08Å; L439-L581 HydrophobicContact CG-CB 4.48Å; L439-L581 HydrophobicContact CG-CD1 3.92Å; L439-L581 HydrophobicContact CG-CG 3.89Å
440	S	90.1	Very high	86.6	Confident	50 Å²	50	46.9 Å²	46.9	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	169.2	179.2	73.6	0	0	0	0	111.4	F455 T456	S440-F455 CarbonylContact O-C 3.57Å; S440-F455 VanDerWaalsContact O-CA 3.31Å; S440-F455 WeakPolarHBondContact O-CA 3.38Å; S440-T456 PolarHBondContact N-O 3.3Å; S440-T456 PolarHBondContact O-N 3Å; S440-T456 PolarHBondContact OG-OG1 2.68Å
441	S	90	Very high	86.6	Confident	12 Å²	12	55.4 Å²	55.4	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	153	-175.8	61.7	0	0	0	0	114.2	H444 K453 V454	S441-H444 PolarHBondContact O-CE1 3.45Å; S441-H444 VanDerWaalsContact O-CE1 3.25Å; S441-H444 PolarHBondContact O-ND1 2.84Å; S441-K453 VanDerWaalsContact CB-CE 3.49Å; S441-K453 WeakPolarHBondContact OG-CE 3.17Å; S441-V454 CarbonylContact C-O 3.53Å; S441-V454 WeakPolarHBondContact CA-O 3.49Å; S441-V454 WeakPolarHBondContact CB-O 3.49Å
442	V	88	Confident	86.6	Confident	86 Å²	86	58.4 Å²	58.4	52%	0.521	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.7	-177.9	-176.8	0	0	0	0	110.2	V454	V442-V454 HydrophobicContact CB-CB 4.48Å; V442-V454 PolarHBondContact N-O 2.73Å; V442-V454 PolarHBondContact O-N 3.35Å
443	P	86.9	Confident	86.7	Confident	67 Å²	67	59.1 Å²	59.1	44%	0.435	33%	0.327	S	S	.	.	S	Bend	cis	-64.6	155.1	-5	29.6	-36.2	0	0	0	112.4	V447 K453	P443-V447 HydrophobicContact CG-CG2 4.22Å; P443-K453 VanDerWaalsContact O-CE 3.28Å; P443-K453 WeakPolarHBondContact O-CE 3.24Å
444	H	80.7	Confident	86.9	Confident	112 Å²	112	59 Å²	59	52%	0.519	33%	0.325	S	S	.	.			trans	-70.9	143.6	169	-60.1	13.5	0	0	0	109	S441	S441-H444 PolarHBondContact O-CE1 3.45Å; S441-H444 VanDerWaalsContact O-CE1 3.25Å; S441-H444 PolarHBondContact O-ND1 2.84Å
445	G	83.9	Confident	87.2	Confident	36 Å²	36	59 Å²	59	37%	0.371	33%	0.325	S	S	.	.	S	Bend	trans	88.2	-163.6	178.7	0	0	0	0	0	116.2	K453	G445-K453 PolarHBondContact O-NZ 2.71Å
446	P	86	Confident	87.7	Confident	58 Å²	58	56.7 Å²	56.7	38%	0.377	32%	0.316	S	S	.	.			trans	-76.6	161.9	-174.9	29	-34.9	0	0	0	114.1	E584 F586	P446-E584 WeakPolarHBondContact CA-O 3.48Å; P446-E584 HydrophobicContact CB-CB 4.02Å; P446-E584 HydrophobicContact CB-CG 3.89Å; P446-F586 HydrophobicContact CB-CD1 4.03Å; P446-F586 HydrophobicContact CB-CE1 3.42Å; P446-F586 VanDerWaalsContact CB-CE1 3.42Å; P446-F586 HydrophobicContact CB-CZ 3.79Å; P446-F586 HydrophobicContact CG-CE1 3.73Å; P446-F586 HydrophobicContact CG-CE2 4.44Å; P446-F586 HydrophobicContact CG-CZ 3.57Å
447	V	89	Confident	87.9	Confident	12 Å²	12	54.3 Å²	54.3	7%	0.073	30%	0.304	C	S	.	.			trans	-140.4	112	-170.8	174.5	0	0	0	0	109	P443 R451 K453 E584 V585	P443-V447 HydrophobicContact CG-CG2 4.22Å; V447-R451 HydrophobicContact CG1-CB 3.41Å; V447-R451 VanDerWaalsContact CG1-CB 3.41Å; V447-R451 WeakPolarHBondContact CG1-O 3.49Å; V447-K453 HydrophobicContact CG2-CB 4.34Å; V447-K453 HydrophobicContact CG2-CD 3.97Å; V447-E584 PolarHBondContact N-O 2.75Å; V447-V585 VanDerWaalsContact O-CA 3.25Å; V447-V585 WeakPolarHBondContact O-CA 3.22Å; V447-V585 WeakPolarHBondContact O-CG1 3.15Å
448	S	88.5	Confident	87.9	Confident	55 Å²	55	57.1 Å²	57.1	39%	0.385	32%	0.315	S	S	.	.			trans	-54.3	154.1	177.7	-52.4	0	0	0	0	112.4	N450 R451	S448-N450 PolarHBondContact O-N 2.88Å; S448-R451 WeakPolarHBondContact O-CB 3.42Å; S448-R451 PolarHBondContact O-N 2.79Å
449	E	86.1	Confident	87.9	Confident	84 Å²	84	53.5 Å²	53.5	39%	0.393	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	132.8	176.6	-179.2	167.5	-165.7	0	0	112.2	P541 V585	E449-P541 VanDerWaalsContact CD-CD 3.45Å; E449-P541 VanDerWaalsContact CD-CG 3.46Å; E449-P541 HydrophobicContact CG-CG 4.31Å; E449-P541 WeakPolarHBondContact OE1-CD 3.39Å; E449-P541 WeakPolarHBondContact OE1-CG 3.24Å; E449-P541 WeakPolarHBondContact OE2-CG 3.47Å; E449-V585 HydrophobicContact CB-CG1 4.44Å
450	N	84.3	Confident	87.6	Confident	92 Å²	92	54.8 Å²	54.8	49%	0.492	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	30.7	-177	-47.5	-46.1	0	0	0	116.4	S448 G539 R540	S448-N450 PolarHBondContact O-N 2.88Å; N450-G539 PolarHBondContact N-O 2.76Å; N450-R540 PolarHBondContact OD1-NH1 2.74Å
451	R	86.6	Confident	87.3	Confident	178 Å²	178	55.9 Å²	55.9	67%	0.672	31%	0.307	S	S	*	.			trans	-118.9	159.2	171.6	-66.7	-71.3	-169.1	152.7	2.6	112.5	V447 S448 G539	V447-R451 HydrophobicContact CG1-CB 3.41Å; V447-R451 VanDerWaalsContact CG1-CB 3.41Å; V447-R451 WeakPolarHBondContact CG1-O 3.49Å; S448-R451 WeakPolarHBondContact O-CB 3.42Å; S448-R451 PolarHBondContact O-N 2.79Å; R451-G539 PolarHBondContact O-N 3.21Å
452	T	87.1	Confident	86.9	Confident	98 Å²	98	55.3 Å²	55.3	60%	0.601	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	153.9	-172.5	38.4	0	0	0	0	114.9	L537 I538	T452-L537 CarbonylContact C-O 3.55Å; T452-L537 VanDerWaalsContact CA-O 3.31Å; T452-L537 WeakPolarHBondContact CA-O 3.34Å; T452-I538 HydrophobicContact CG2-CG1 3.85Å
453	K	88.9	Confident	86.9	Confident	17 Å²	17	51.2 Å²	51.2	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134.3	175.2	-166.8	165.7	179.2	168.2	0	111.8	S441 P443 G445 V447 F455 R536 L537	S441-K453 VanDerWaalsContact CB-CE 3.49Å; S441-K453 WeakPolarHBondContact OG-CE 3.17Å; P443-K453 VanDerWaalsContact O-CE 3.28Å; P443-K453 WeakPolarHBondContact O-CE 3.24Å; G445-K453 PolarHBondContact O-NZ 2.71Å; V447-K453 HydrophobicContact CG2-CB 4.34Å; V447-K453 HydrophobicContact CG2-CD 3.97Å; K453-F455 HydrophobicContact CB-CE2 4.07Å; K453-F455 HydrophobicContact CB-CZ 4.47Å; K453-F455 HydrophobicContact CD-CE2 4.35Å; K453-F455 HydrophobicContact CD-CZ 3.91Å; K453-F455 HydrophobicContact CG-CE2 3.89Å; K453-F455 HydrophobicContact CG-CZ 3.94Å; K453-R536 CarbonylContact O-C 3.46Å; K453-L537 PolarHBondContact N-O 3.14Å; K453-L537 PolarHBondContact O-N 3.25Å
454	V	90.4	Very high	86.8	Confident	38 Å²	38	49.2 Å²	49.2	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.8	179.1	-174.6	0	0	0	0	109.7	S441 V442 E534 V535 R536	S441-V454 CarbonylContact C-O 3.53Å; S441-V454 WeakPolarHBondContact CA-O 3.49Å; S441-V454 WeakPolarHBondContact CB-O 3.49Å; V442-V454 HydrophobicContact CB-CB 4.48Å; V442-V454 PolarHBondContact N-O 2.73Å; V442-V454 PolarHBondContact O-N 3.35Å; V454-E534 HydrophobicContact CG1-CG 3.92Å; V454-V535 CarbonylContact C-O 3.45Å; V454-V535 WeakPolarHBondContact CA-O 3.27Å; V454-R536 HydrophobicContact CG1-CG 4.26Å; V454-R536 HydrophobicContact CG2-CG 4.16Å
455	F	91.4	Very high	86.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.4	-177.6	-66.1	-95.6	0	0	0	111.3	L439 S440 K453 W471 E534 V535 L537 V548 L581 T583	L439-F455 HydrophobicContact CD1-CB 4.25Å; L439-F455 HydrophobicContact CD1-CD1 4.43Å; S440-F455 CarbonylContact O-C 3.57Å; S440-F455 VanDerWaalsContact O-CA 3.31Å; S440-F455 WeakPolarHBondContact O-CA 3.38Å; K453-F455 HydrophobicContact CB-CE2 4.07Å; K453-F455 HydrophobicContact CB-CZ 4.47Å; K453-F455 HydrophobicContact CD-CE2 4.35Å; K453-F455 HydrophobicContact CD-CZ 3.91Å; K453-F455 HydrophobicContact CG-CE2 3.89Å; K453-F455 HydrophobicContact CG-CZ 3.94Å; F455-W471 HydrophobicContact CB-CH2 3.89Å; F455-W471 HydrophobicContact CB-CZ3 3.86Å; F455-E534 CarbonylContact O-C 3.56Å; F455-E534 VanDerWaalsContact O-CA 3.29Å; F455-E534 WeakPolarHBondContact O-CA 3.25Å; F455-E534 WeakPolarHBondContact O-CG 3.38Å; F455-V535 PolarHBondContact N-O 2.84Å; F455-V535 PolarHBondContact O-N 3.3Å; F455-L537 HydrophobicContact CE2-CB 4.03Å; F455-L537 HydrophobicContact CE2-CD2 4.24Å; F455-V548 HydrophobicContact CB-CG1 4.3Å; F455-V548 HydrophobicContact CD1-CB 4.07Å; F455-V548 HydrophobicContact CD1-CG1 3.9Å; F455-V548 HydrophobicContact CD1-CG2 4.45Å; F455-V548 HydrophobicContact CD2-CG1 4.16Å; F455-V548 HydrophobicContact CD2-CG2 4.35Å; F455-V548 HydrophobicContact CE1-CB 3.93Å; F455-V548 HydrophobicContact CE1-CG1 4.26Å; F455-V548 HydrophobicContact CE1-CG2 3.99Å; F455-V548 HydrophobicContact CE2-CG2 3.89Å; F455-V548 HydrophobicContact CG-CB 4.43Å; F455-V548 HydrophobicContact CG-CG1 3.86Å; F455-V548 HydrophobicContact CZ-CB 4.17Å; F455-V548 HydrophobicContact CZ-CG2 3.7Å; F455-L581 HydrophobicContact CD1-CB 4.31Å; F455-L581 HydrophobicContact CD1-CD1 4.08Å; F455-L581 HydrophobicContact CE1-CB 3.9Å; F455-L581 HydrophobicContact CE1-CD1 4.16Å; F455-T583 HydrophobicContact CZ-CG2 3.85Å
456	T	90.6	Very high	86.5	Confident	29 Å²	29	47.2 Å²	47.2	18%	0.178	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142	179.1	57.9	0	0	0	0	111.6	L439 S440 S533 E534	L439-T456 CarbonylContact C-O 3.39Å; L439-T456 WeakPolarHBondContact CA-O 3.14Å; L439-T456 WeakPolarHBondContact CD1-O 3.32Å; S440-T456 PolarHBondContact N-O 3.3Å; S440-T456 PolarHBondContact O-N 3Å; S440-T456 PolarHBondContact OG-OG1 2.68Å; T456-S533 CarbonylContact C-O 3.59Å; T456-S533 WeakPolarHBondContact CA-O 3.45Å; T456-E534 HydrophobicContact CG2-CB 4.07Å; T456-E534 HydrophobicContact CG2-CG 3.91Å
457	C	89.6	Confident	86.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.3	-173.7	-171.5	0	0	0	0	112.8	I438 L439 I469 W471 Y532 S533 C550	I438-C457 CarbonylContact O-C 3.57Å; I438-C457 VanDerWaalsContact O-CA 3.26Å; I438-C457 WeakPolarHBondContact O-CA 3.4Å; L439-C457 HydrophobicContact CD1-CB 4.25Å; C457-I469 HydrophobicContact CB-CD1 4.33Å; C457-W471 HydrophobicContact CB-CH2 3.66Å; C457-W471 HydrophobicContact CB-CZ2 3.43Å; C457-W471 VanDerWaalsContact CB-CZ2 3.43Å; C457-Y532 CarbonylContact O-C 3.48Å; C457-Y532 VanDerWaalsContact O-CA 3.26Å; C457-Y532 WeakPolarHBondContact O-CA 3.43Å; C457-S533 PolarHBondContact N-O 2.89Å; C457-S533 PolarHBondContact O-N 3.48Å; C457-C550 HydrophobicContact CB-CB 3.7Å; C457-C550 WeakPolarHBondContact CB-SG 3.17Å; C457-C550 WeakPolarHBondContact SG-CB 3.4Å; C457-C550 CovalentContact SG-SG 2.03Å; C457-C550 PolarHBondContact SG-SG 2.71Å
458	Q	89.3	Confident	86	Confident	70 Å²	70	47.9 Å²	47.9	33%	0.327	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161.9	175.4	69.5	-180	7.8	0	0	112.6	P437 I438 A531 Y532	P437-Q458 CarbonylContact C-O 3.29Å; P437-Q458 VanDerWaalsContact CA-O 3.22Å; P437-Q458 WeakPolarHBondContact CA-O 3.27Å; I438-Q458 HydrophobicContact CB-CG 4Å; I438-Q458 HydrophobicContact CD1-CG 4.4Å; I438-Q458 PolarHBondContact N-O 2.74Å; I438-Q458 PolarHBondContact O-N 2.85Å; Q458-A531 CarbonylContact C-O 3.4Å; Q458-A531 WeakPolarHBondContact CA-O 3.04Å; Q458-A531 WeakPolarHBondContact CB-O 3.44Å; Q458-Y532 HydrophobicContact CB-CD2 3.86Å
459	S	87.2	Confident	85.8	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.3	171.5	65.9	0	0	0	0	112.1	K461 I530 A531	S459-K461 VanDerWaalsContact C-N 3.34Å; S459-K461 WeakPolarHBondContact CB-O 3.44Å; S459-K461 PolarHBondContact OG-O 3.3Å; S459-I530 WeakPolarHBondContact OG-CA 3.48Å; S459-A531 PolarHBondContact N-O 2.67Å; S459-A531 PolarHBondContact OG-N 3.5Å; S459-A531 VanDerWaalsContact OG-N 3.07Å
460	S	84.5	Confident	85.7	Confident	51 Å²	51	45.2 Å²	45.2	36%	0.357	23%	0.225	S	C	.	.	S	Bend	trans	-75.1	-19.3	-178.7	49.8	0	0	0	0	114.8	Q435 D436	Q435-S460 VanDerWaalsContact C-OG 3.26Å; Q435-S460 VanDerWaalsContact CB-OG 3.25Å; Q435-S460 WeakPolarHBondContact CB-OG 3.15Å; Q435-S460 VanDerWaalsContact CG-OG 3.32Å; Q435-S460 WeakPolarHBondContact CG-OG 3.12Å; D436-S460 PolarHBondContact N-OG 2.9Å; D436-S460 VanDerWaalsContact O-CB 3.24Å; D436-S460 WeakPolarHBondContact O-CB 3.12Å; D436-S460 PolarHBondContact O-N 2.86Å; D436-S460 VanDerWaalsContact O-N 3.12Å; D436-S460 PolarHBondContact O-OG 2.8Å
461	K	83.7	Confident	85.6	Confident	73 Å²	73	41.1 Å²	41.1	32%	0.317	20%	0.203	S	C	.	.	S	Bend	trans	-135.6	170.4	170.1	-75.7	-168.9	175.9	176.2	0	110.7	E401 Q435 S459 D523	E401-K461 WeakPolarHBondContact OE2-CD 3.14Å; E401-K461 IonicContact OE2-NZ 2.7Å; E401-K461 PolarHBondContact OE2-NZ 3.06Å; Q435-K461 HydrophobicContact CB-CB 3.63Å; Q435-K461 HydrophobicContact CB-CD 3.98Å; Q435-K461 HydrophobicContact CB-CG 3.74Å; Q435-K461 HydrophobicContact CG-CG 4.45Å; S459-K461 VanDerWaalsContact C-N 3.34Å; S459-K461 WeakPolarHBondContact CB-O 3.44Å; S459-K461 PolarHBondContact OG-O 3.3Å; K461-D523 WeakPolarHBondContact CA-OD2 3.41Å; K461-D523 WeakPolarHBondContact CB-OD2 3.26Å
462	G	82.9	Confident	85.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.			trans	-62.9	165.7	163.3	0	0	0	0	0	113.4	D523 G528 Y529	G462-D523 VanDerWaalsContact N-CB 3.34Å; G462-D523 PolarHBondContact N-OD2 3.49Å; G462-G528 VanDerWaalsContact CA-C 3.44Å; G462-G528 WeakPolarHBondContact CA-O 3.39Å; G462-Y529 CarbonylContact C-O 3.49Å; G462-Y529 WeakPolarHBondContact CA-O 3.23Å
463	S	86.9	Confident	85.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-141	152.5	179.2	52.2	0	0	0	0	111.8	P465 A467 G528 Y529	S463-P465 CarbonylContact C-O 3.51Å; S463-P465 VanDerWaalsContact C-O 3.28Å; S463-P465 WeakPolarHBondContact CB-O 3.41Å; S463-P465 PolarHBondContact OG-O 3.17Å; S463-A467 PolarHBondContact OG-N 3.03Å; S463-G528 CarbonylContact O-C 3.56Å; S463-G528 VanDerWaalsContact O-CA 3.27Å; S463-G528 WeakPolarHBondContact O-CA 3.35Å; S463-Y529 PolarHBondContact N-O 2.86Å; S463-Y529 WeakPolarHBondContact O-CD2 3.48Å; S463-Y529 PolarHBondContact O-N 3.05Å; S463-Y529 PolarHBondContact OG-O 3.35Å
464	N	85.3	Confident	85	Confident	25 Å²	25	30 Å²	30	13%	0.134	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-139.6	104.2	175.7	-172.3	17.5	0	0	0	110.8	N404 I430 F432	N404-N464 PolarHBondContact OD1-ND2 2.91Å; I430-N464 PolarHBondContact O-ND2 2.85Å; F432-N464 HydrophobicContact CD1-CB 3.87Å; F432-N464 HydrophobicContact CE1-CB 3.53Å; F432-N464 HydrophobicContact CE2-CB 4.34Å; F432-N464 HydrophobicContact CG-CB 4.39Å; F432-N464 HydrophobicContact CZ-CB 3.79Å; F432-N464 PolarHBondContact N-O 2.04Å; F432-N464 VanDerWaalsContact N-O 3.14Å; F432-N464 PolarHBondContact O-N 2.97Å
465	P	78.5	Confident	84.5	Confident	29 Å²	29	29.2 Å²	29.2	19%	0.188	15%	0.148	C	C	.	.	S	Bend	cis	-74.4	-178.3	1.9	32.4	-37.9	0	0	0	114	S463 W554 N555	S463-P465 CarbonylContact C-O 3.51Å; S463-P465 VanDerWaalsContact C-O 3.28Å; S463-P465 WeakPolarHBondContact CB-O 3.41Å; S463-P465 PolarHBondContact OG-O 3.17Å; P465-W554 PolarHBondContact O-NE1 3.15Å; P465-N555 WeakPolarHBondContact CG-O 3.39Å
466	R	80.4	Confident	83.8	Confident	76 Å²	76	29.4 Å²	29.4	29%	0.287	15%	0.15	S	C	.	.			trans	-60.4	147.1	179	176	175	158.5	-172.3	-8.7	113	S518 D519 Y529 Y560	R466-S518 PolarHBondContact NH1-OG 2.86Å; R466-S518 PolarHBondContact NH2-OG 3.1Å; R466-D519 IonicContact CZ-OD1 3.07Å; R466-D519 IonicContact NH1-OD1 2.76Å; R466-D519 PolarHBondContact NH1-OD1 2.97Å; R466-D519 IonicContact NH1-OD2 3.95Å; R466-D519 PolarHBondContact NH1-OD2 3.02Å; R466-Y529 HydrophobicContact CB-CD2 4.11Å; R466-Y529 HydrophobicContact CB-CG 3.92Å; R466-Y560 VanDerWaalsContact O-CE2 3.25Å; R466-Y560 WeakPolarHBondContact O-CE2 3.44Å; R466-Y560 PolarHBondContact O-OH 3.02Å
467	A	82.9	Confident	82.6	Confident	6 Å²	6	33.5 Å²	33.5	5%	0.05	17%	0.169	C	C	.	.			trans	-103.4	167.2	177.5	0	0	0	0	0	113.8	P434 S463 L552 W554	P434-A467 HydrophobicContact CB-CB 4.37Å; P434-A467 HydrophobicContact CG-CB 3.75Å; S463-A467 PolarHBondContact OG-N 3.03Å; A467-L552 HydrophobicContact CB-CD1 3.86Å; A467-L552 HydrophobicContact CB-CG 4.26Å; A467-W554 HydrophobicContact CB-CB 4.05Å
468	K	81.6	Confident	81.4	Confident	79 Å²	79	36.5 Å²	36.5	34%	0.343	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.6	-177.4	-173.5	170	-176.3	166.2	0	111.9	L552 I553 Y560 V562	K468-L552 CarbonylContact O-C 3.45Å; K468-L552 WeakPolarHBondContact O-CA 3.47Å; K468-I553 PolarHBondContact N-O 3.07Å; K468-I553 PolarHBondContact O-N 3.17Å; K468-Y560 HydrophobicContact CB-CD2 4.3Å; K468-Y560 HydrophobicContact CB-CG 4.29Å; K468-Y560 HydrophobicContact CD-CG 4.17Å; K468-Y560 PolarHBondContact NZ-O 2.84Å; K468-Y560 VanDerWaalsContact NZ-O 3.14Å; K468-V562 VanDerWaalsContact NZ-CG2 3.33Å
469	I	84.3	Confident	80.2	Confident	21 Å²	21	35.8 Å²	35.8	11%	0.108	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.8	178.5	-71.3	170.9	0	0	0	111.1	C457 A531 C550 H551 L552	C457-I469 HydrophobicContact CB-CD1 4.33Å; I469-A531 HydrophobicContact CD1-CB 4.08Å; I469-A531 HydrophobicContact CG1-CB 4.25Å; I469-C550 VanDerWaalsContact CG2-SG 3.5Å; I469-H551 WeakPolarHBondContact CA-O 3.5Å; I469-L552 HydrophobicContact CD1-CD1 4.46Å; I469-L552 HydrophobicContact CG1-CD1 3.74Å
470	L	82.6	Confident	78.7	Confident	62 Å²	62	40.6 Å²	40.6	33%	0.325	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.2	172.3	171.9	68.8	0	0	0	109.2	H551 I553 V565	L470-H551 HydrophobicContact CB-CB 4.27Å; L470-H551 PolarHBondContact N-O 2.81Å; L470-H551 PolarHBondContact O-N 2.84Å; L470-I553 HydrophobicContact CB-CD1 4.02Å; L470-I553 HydrophobicContact CD2-CD1 4.04Å; L470-V565 HydrophobicContact CD2-CG1 3.91Å
471	W	83.7	Confident	77.2	Confident	6 Å²	6	40.9 Å²	40.9	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.1	-178.6	-66.2	88.5	0	0	0	113.4	L439 F455 C457 Y511 S533 V535 V548 S549 C550	L439-W471 HydrophobicContact CD1-CH2 3.43Å; L439-W471 VanDerWaalsContact CD1-CH2 3.43Å; L439-W471 HydrophobicContact CD1-CZ3 3.53Å; F455-W471 HydrophobicContact CB-CH2 3.89Å; F455-W471 HydrophobicContact CB-CZ3 3.86Å; C457-W471 HydrophobicContact CB-CH2 3.66Å; C457-W471 HydrophobicContact CB-CZ2 3.43Å; C457-W471 VanDerWaalsContact CB-CZ2 3.43Å; W471-Y511 AromaticContact CD1-CE2 3.72Å; W471-S533 PolarHBondContact NE1-OG 2.66Å; W471-V535 HydrophobicContact CB-CG2 4.02Å; W471-V535 HydrophobicContact CD2-CB 4.25Å; W471-V535 HydrophobicContact CD2-CG2 3.31Å; W471-V535 VanDerWaalsContact CE2-CG2 3.42Å; W471-V535 HydrophobicContact CE3-CB 4.28Å; W471-V535 HydrophobicContact CE3-CG2 3.81Å; W471-V535 HydrophobicContact CG-CG2 3.43Å; W471-V535 VanDerWaalsContact CG-CG2 3.43Å; W471-V535 HydrophobicContact CH2-CG2 4.36Å; W471-V535 HydrophobicContact CZ2-CG2 3.96Å; W471-V535 HydrophobicContact CZ3-CB 4.45Å; W471-V535 HydrophobicContact CZ3-CG2 4.31Å; W471-V548 HydrophobicContact CE3-CG1 4.04Å; W471-V548 HydrophobicContact CZ3-CG1 3.91Å; W471-S549 WeakPolarHBondContact CA-O 3.41Å; W471-C550 HydrophobicContact CD2-CB 4.32Å; W471-C550 HydrophobicContact CE3-CB 4.07Å; W471-C550 HydrophobicContact CH2-CB 4.36Å; W471-C550 HydrophobicContact CZ3-CB 4.09Å
472	E	83.1	Confident	75.5	Confident	44 Å²	44	40.7 Å²	40.7	21%	0.206	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.7	178.7	158.2	175.6	173	0	0	110.2	T474 V500 S549 H551	E472-T474 PolarHBondContact OE1-OG1 3.25Å; E472-V500 HydrophobicContact CB-CG1 4.41Å; E472-V500 HydrophobicContact CG-CG1 3.97Å; E472-S549 PolarHBondContact N-O 3.1Å; E472-S549 PolarHBondContact O-N 3.49Å; E472-H551 IonicContact OE2-CE1 2.69Å; E472-H551 PolarHBondContact OE2-CE1 3.03Å; E472-H551 VanDerWaalsContact OE2-CE1 3.23Å; E472-H551 IonicContact OE2-NE2 3.56Å; E472-H551 PolarHBondContact OE2-NE2 3.14Å
473	L	84.1	Confident	73.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.1	165.9	175.2	69.6	0	0	0	109.8	M501 F509 L537 F543 A546 R547 V548	L473-M501 HydrophobicContact CB-CB 4.21Å; L473-M501 HydrophobicContact CD2-CB 4.27Å; L473-M501 HydrophobicContact CD2-SD 4.34Å; L473-M501 PolarHBondContact N-O 2.9Å; L473-F509 HydrophobicContact CB-CD1 3.91Å; L473-F509 HydrophobicContact CB-CE1 3.56Å; L473-F509 HydrophobicContact CB-CE2 4.27Å; L473-F509 HydrophobicContact CB-CG 4.42Å; L473-F509 HydrophobicContact CB-CZ 3.76Å; L473-F509 HydrophobicContact CD2-CB 4.17Å; L473-F509 HydrophobicContact CD2-CD1 4.13Å; L473-F509 HydrophobicContact CD2-CD2 4.17Å; L473-F509 HydrophobicContact CD2-CG 3.93Å; L473-L537 HydrophobicContact CD1-CD1 4.22Å; L473-L537 HydrophobicContact CD1-CD2 4.25Å; L473-L537 HydrophobicContact CD2-CD1 3.83Å; L473-F543 HydrophobicContact CD2-CE1 4.22Å; L473-A546 HydrophobicContact CD1-CB 4.36Å; L473-R547 WeakPolarHBondContact CA-O 3.25Å; L473-V548 HydrophobicContact CD1-CG2 3.92Å
474	T	82.1	Confident	71.7	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116	177.9	-22.5	0	0	0	0	110.7	E472 Y479 R547	E472-T474 PolarHBondContact OE1-OG1 3.25Å; T474-Y479 HydrophobicContact CG2-CD1 4.29Å; T474-R547 PolarHBondContact N-O 3.2Å; T474-R547 PolarHBondContact O-N 3.43Å
475	P	79.6	Confident	69.5	Low	20 Å²	20	57.3 Å²	57.3	13%	0.13	31%	0.31	C	S	.	.			trans	-62.7	146.7	176.1	-23.4	34.2	0	0	0	113.4	M477 E478	P475-M477 VanDerWaalsContact C-N 3.31Å; P475-M477 PolarHBondContact O-N 3.18Å; P475-E478 HydrophobicContact CB-CG 4.34Å; P475-E478 PolarHBondContact O-N 2.74Å; P475-E478 VanDerWaalsContact O-N 3.15Å
476	A	76.2	Confident	67.8	Low	5 Å²	5	67.2 Å²	67.2	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-55.7	-42.1	-174.7	0	0	0	0	0	113.6	E478 L480 N544 G545	A476-E478 VanDerWaalsContact C-N 3.28Å; A476-E478 PolarHBondContact O-N 2.87Å; A476-L480 WeakPolarHBondContact O-CB 3.08Å; A476-L480 WeakPolarHBondContact O-CD1 3.49Å; A476-L480 WeakPolarHBondContact O-CG 3.43Å; A476-L480 PolarHBondContact O-N 3.46Å; A476-N544 WeakPolarHBondContact CB-O 3.48Å; A476-G545 WeakPolarHBondContact CB-O 3.25Å
477	M	65.8	Low	65.6	Low	115 Å²	115	68.4 Å²	68.4	57%	0.567	36%	0.363	S	S	*	.	H	α-helix	trans	-63.7	-30.9	-177.6	-77.8	172.1	53	0	0	113.4	P475 S481 Y671	P475-M477 VanDerWaalsContact C-N 3.31Å; P475-M477 PolarHBondContact O-N 3.18Å; M477-S481 WeakPolarHBondContact O-CB 3.17Å; M477-S481 PolarHBondContact O-N 2.65Å; M477-S481 PolarHBondContact O-OG 2.97Å; M477-Y671 HydrophobicContact SD-CD1 3.89Å; M477-Y671 HydrophobicContact SD-CE1 3.74Å
478	E	63.9	Low	63.1	Low	64 Å²	64	79 Å²	79	30%	0.299	40%	0.403	S	S	.	.	H	α-helix	trans	-72.4	-54.6	-171.8	-64	-175.1	-174.4	0	0	110.7	P475 A476 L480 S481 A482 T499	P475-E478 HydrophobicContact CB-CG 4.34Å; P475-E478 PolarHBondContact O-N 2.74Å; P475-E478 VanDerWaalsContact O-N 3.15Å; A476-E478 VanDerWaalsContact C-N 3.28Å; A476-E478 PolarHBondContact O-N 2.87Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 2.74Å; E478-S481 PolarHBondContact O-N 3.45Å; E478-S481 PolarHBondContact O-OG 3.04Å; E478-A482 PolarHBondContact O-N 2.87Å; E478-A482 VanDerWaalsContact O-N 3.15Å; E478-T499 VanDerWaalsContact OE1-CB 3.3Å; E478-T499 WeakPolarHBondContact OE1-CB 3.11Å; E478-T499 VanDerWaalsContact OE2-CB 3.24Å; E478-T499 WeakPolarHBondContact OE2-CB 3.35Å; E478-T499 PolarHBondContact OE2-OG1 3.18Å
479	Y	65.1	Low	61.1	Low	56 Å²	56	81 Å²	81	22%	0.22	42%	0.422	C	S	.	.	H	α-helix	trans	-71.4	-23.7	178.4	70.2	-107.1	0	0	0	113.2	T474 G545 R547	T474-Y479 HydrophobicContact CG2-CD1 4.29Å; Y479-G545 PolarHBondContact OH-O 3.39Å; Y479-R547 HydrophobicContact CE1-CB 3.95Å
480	L	55.8	Low	58.5	Low	104 Å²	104	87 Å²	87	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-68.3	-42	169	-73.3	172.5	0	0	0	111.6	A476 E478 A482 V483	A476-L480 WeakPolarHBondContact O-CB 3.08Å; A476-L480 WeakPolarHBondContact O-CD1 3.49Å; A476-L480 WeakPolarHBondContact O-CG 3.43Å; A476-L480 PolarHBondContact O-N 3.46Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 2.74Å; L480-A482 VanDerWaalsContact C-N 3.29Å; L480-A482 PolarHBondContact O-N 2.87Å; L480-V483 PolarHBondContact O-N 2.02Å
481	S	52.2	Low	56.1	Low	58 Å²	58	94.2 Å²	94.2	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-31	178	78.9	0	0	0	0	113	M477 E478 V483 S484 K485	M477-S481 WeakPolarHBondContact O-CB 3.17Å; M477-S481 PolarHBondContact O-N 2.65Å; M477-S481 PolarHBondContact O-OG 2.97Å; E478-S481 PolarHBondContact O-N 3.45Å; E478-S481 PolarHBondContact O-OG 3.04Å; S481-V483 VanDerWaalsContact C-N 3.28Å; S481-V483 PolarHBondContact O-N 3.5Å; S481-S484 PolarHBondContact O-N 3.14Å; S481-K485 PolarHBondContact O-N 2.88Å
482	A	47.9	Very low	53.6	Low	68 Å²	68	98.7 Å²	98.7	56%	0.562	52%	0.516	S	S	*	.	H	α-helix	trans	-63.1	-30.3	176.5	0	0	0	0	0	113.3	E478 L480	E478-A482 PolarHBondContact O-N 2.87Å; E478-A482 VanDerWaalsContact O-N 3.15Å; L480-A482 VanDerWaalsContact C-N 3.29Å; L480-A482 PolarHBondContact O-N 2.87Å
483	V	48.1	Very low	51.2	Low	117 Å²	117	106.8 Å²	106.8	71%	0.709	55%	0.551	S	S	*	*	H	α-helix	trans	-73	-32.9	176.5	-179	0	0	0	0	111.6	L480 S481	L480-V483 PolarHBondContact O-N 2.02Å; S481-V483 VanDerWaalsContact C-N 3.28Å; S481-V483 PolarHBondContact O-N 3.5Å
484	S	43.2	Very low	48.7	Very low	105 Å²	105	111.5 Å²	111.5	73%	0.734	58%	0.584	S	S	*	*	H	α-helix	trans	-73.6	-35.4	-178.1	-176.4	0	0	0	0	113.6	S481 R486	S481-S484 PolarHBondContact O-N 3.14Å; S484-R486 PolarHBondContact O-N 2.82Å
485	K	39.5	Very low	46.3	Very low	152 Å²	152	118.6 Å²	118.6	66%	0.661	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	7.6	-173.2	-77.3	-176.8	176.3	175.9	0	116.1	S481 S487	S481-K485 PolarHBondContact O-N 2.88Å; K485-S487 PolarHBondContact O-N 3.16Å
486	R	42.4	Very low	44.3	Very low	238 Å²	238	125.8 Å²	125.8	90%	0.898	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	8.7	-172.6	-138.9	176.8	-165.1	164.6	7.9	115.8	S484	S484-R486 PolarHBondContact O-N 2.82Å
487	S	33.1	Very low	42.5	Very low	101 Å²	101	134.6 Å²	134.6	71%	0.706	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	59.6	177.2	-176.7	0	0	0	0	113.4	K485	K485-S487 PolarHBondContact O-N 3.16Å
488	Y	32	Very low	41.5	Very low	227 Å²	227	135.1 Å²	135.1	89%	0.89	69%	0.691	S	S	*	*			trans	-160.4	142.4	134.5	-105.5	-71	0	0	0	109.5
489	V	37.9	Very low	40.7	Very low	123 Å²	123	135.5 Å²	135.5	75%	0.745	70%	0.698	S	S	*	*			trans	-104.2	148.9	-165.2	171	0	0	0	0	111.5
490	N	30.1	Very low	39.9	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	70%	0.701	S	S	*	*			trans	63.7	96.8	174.5	-64.4	-17.1	0	0	0	116.8
491	F	32.6	Very low	39.7	Very low	214 Å²	214	133.1 Å²	133.1	94%	0.939	69%	0.69	S	S	*	*			trans	-119.7	141.4	134.3	-119.3	-94.3	0	0	0	109.1
492	S	31.6	Very low	39.9	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	69%	0.685	S	S	*	*			trans	-82.3	146.4	-171.1	49.6	0	0	0	0	112.5	S494	S492-S494 PolarHBondContact O-N 2.86Å; S492-S494 VanDerWaalsContact O-N 3.1Å
493	K	31.6	Very low	40.3	Very low	214 Å²	214	131.9 Å²	131.9	93%	0.93	66%	0.664	S	S	*	*			trans	-32.1	109	175.1	-66.5	-177.6	177.6	-174.6	0	113.9
494	S	31.8	Very low	40.4	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	67%	0.666	S	S	*	*			trans	-125.6	151.9	150.5	58.3	0	0	0	0	107.3	S492 E496	S492-S494 PolarHBondContact O-N 2.86Å; S492-S494 VanDerWaalsContact O-N 3.1Å; S494-E496 PolarHBondContact O-N 2.85Å
495	N	32.7	Very low	40.9	Very low	164 Å²	164	131.8 Å²	131.8	88%	0.877	66%	0.66	S	S	*	*			trans	-69.2	92.2	-167	-60.2	-5.6	0	0	0	111.6	K497	N495-K497 PolarHBondContact O-N 2.91Å
496	E	37.4	Very low	41.7	Very low	172 Å²	172	126.2 Å²	126.2	80%	0.804	64%	0.637	S	S	*	*			trans	-64.3	119.6	164.4	-70.6	-174.4	138.2	0	0	108	S494	S494-E496 PolarHBondContact O-N 2.85Å
497	K	38.9	Very low	42.5	Very low	189 Å²	189	120 Å²	120	82%	0.822	63%	0.631	S	S	*	*			trans	-66.1	142.5	178.3	-65.6	-179.3	177	-178	0	109.3	N495 T499	N495-K497 PolarHBondContact O-N 2.91Å; K497-T499 PolarHBondContact O-N 2.84Å
498	E	43	Very low	44.1	Very low	127 Å²	127	116.2 Å²	116.2	59%	0.593	60%	0.602	S	S	*	*			trans	-57	108.4	168.1	-72.1	-178.5	102.8	0	0	109.7	R502	E498-R502 IonicContact OE1-CZ 2.67Å; E498-R502 IonicContact OE1-NE 3.86Å; E498-R502 IonicContact OE1-NH2 3.39Å; E498-R502 PolarHBondContact OE1-NH2 2.89Å; E498-R502 IonicContact OE2-NH2 3.23Å
499	T	48.6	Very low	45.8	Very low	71 Å²	71	105.5 Å²	105.5	44%	0.436	56%	0.56	S	S	.	*			trans	-82.4	-8	165.7	51.9	0	0	0	0	112.2	E478 K497 M501	E478-T499 VanDerWaalsContact OE1-CB 3.3Å; E478-T499 WeakPolarHBondContact OE1-CB 3.11Å; E478-T499 VanDerWaalsContact OE2-CB 3.24Å; E478-T499 WeakPolarHBondContact OE2-CB 3.35Å; E478-T499 PolarHBondContact OE2-OG1 3.18Å; K497-T499 PolarHBondContact O-N 2.84Å; T499-M501 PolarHBondContact O-N 2.96Å
500	V	48.1	Very low	47.1	Very low	49 Å²	49	104.9 Å²	104.9	30%	0.297	55%	0.549	S	S	.	.			trans	-59.6	95.3	173.3	178	0	0	0	0	109.4	E472 R502	E472-V500 HydrophobicContact CB-CG1 4.41Å; E472-V500 HydrophobicContact CG-CG1 3.97Å; V500-R502 HydrophobicContact CG1-CG 4.5Å; V500-R502 PolarHBondContact O-N 2.87Å
501	M	50.7	Low	48.6	Very low	62 Å²	62	101.5 Å²	101.5	31%	0.305	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-74.1	101.1	178.6	-73.5	-176.3	174.5	0	0	109.5	L473 T499 N506	L473-M501 HydrophobicContact CB-CB 4.21Å; L473-M501 HydrophobicContact CD2-CB 4.27Å; L473-M501 HydrophobicContact CD2-SD 4.34Å; L473-M501 PolarHBondContact N-O 2.9Å; T499-M501 PolarHBondContact O-N 2.96Å; M501-N506 HydrophobicContact SD-CB 3.92Å; M501-N506 PolarHBondContact SD-ND2 2.91Å
502	R	56.3	Low	49.6	Very low	80 Å²	80	94.3 Å²	94.3	30%	0.302	50%	0.497	S	S	.	.			trans	-75.2	146.8	165	-54	-175.1	-163.2	-171.2	6.7	107.5	E498 V500 T504 T505 S566	E498-R502 IonicContact OE1-CZ 2.67Å; E498-R502 IonicContact OE1-NE 3.86Å; E498-R502 IonicContact OE1-NH2 3.39Å; E498-R502 PolarHBondContact OE1-NH2 2.89Å; E498-R502 IonicContact OE2-NH2 3.23Å; V500-R502 HydrophobicContact CG1-CG 4.5Å; V500-R502 PolarHBondContact O-N 2.87Å; R502-T504 PolarHBondContact O-N 3.39Å; R502-T505 PolarHBondContact O-N 2.94Å; R502-T505 VanDerWaalsContact O-N 3.11Å; R502-T505 PolarHBondContact O-OG1 2.98Å; R502-S566 PolarHBondContact NH2-OG 3.17Å
503	P	56	Low	50.5	Low	19 Å²	19	95.3 Å²	95.3	12%	0.123	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	31.3	-172.5	31.5	-37.8	0	0	0	114.8	F509 Y511 V535	P503-F509 WeakPolarHBondContact CA-O 3.29Å; P503-F509 HydrophobicContact CB-CD1 3.64Å; P503-F509 HydrophobicContact CB-CE1 3.81Å; P503-F509 HydrophobicContact CB-CG 4.38Å; P503-F509 HydrophobicContact CG-CE1 4.29Å; P503-Y511 HydrophobicContact CB-CD2 4.46Å; P503-Y511 HydrophobicContact CG-CD2 3.69Å; P503-Y511 HydrophobicContact CG-CG 3.92Å; P503-V535 HydrophobicContact CB-CG1 4.3Å
504	T	52.2	Low	51.4	Low	122 Å²	122	86.8 Å²	86.8	75%	0.748	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-1.8	171.2	56.6	0	0	0	0	112.4	R502	R502-T504 PolarHBondContact O-N 3.39Å
505	T	51.9	Low	52.1	Low	98 Å²	98	86.4 Å²	86.4	60%	0.601	45%	0.449	S	S	*	.	S	Bend	trans	-124.5	3	-171.4	67.4	0	0	0	0	115.4	R502	R502-T505 PolarHBondContact O-N 2.94Å; R502-T505 VanDerWaalsContact O-N 3.11Å; R502-T505 PolarHBondContact O-OG1 2.98Å
506	N	57.7	Low	52.7	Low	36 Å²	36	86.1 Å²	86.1	19%	0.193	45%	0.446	C	S	.	.			trans	-138.8	131.5	178.2	-179.5	8.1	0	0	0	110.1	M501 D508 F509	M501-N506 HydrophobicContact SD-CB 3.92Å; M501-N506 PolarHBondContact SD-ND2 2.91Å; N506-D508 PolarHBondContact O-N 3.27Å; N506-D508 PolarHBondContact OD1-N 3.06Å; N506-F509 HydrophobicContact CB-CB 4.41Å; N506-F509 PolarHBondContact O-N 2.79Å
507	S	58.5	Low	53.3	Low	108 Å²	108	85.9 Å²	85.9	76%	0.755	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.1	175.1	52.6	0	0	0	0	113.2	F509	S507-F509 VanDerWaalsContact C-N 3.28Å; S507-F509 PolarHBondContact O-N 3.25Å
508	D	67.2	Low	53.7	Low	21 Å²	21	77.4 Å²	77.4	11%	0.112	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.2	-175.5	-69.4	31	0	0	0	111.7	N506 L537 I538 R540 F543	N506-D508 PolarHBondContact O-N 3.27Å; N506-D508 PolarHBondContact OD1-N 3.06Å; D508-L537 CarbonylContact O-C 3.53Å; D508-L537 VanDerWaalsContact O-CA 3.25Å; D508-L537 WeakPolarHBondContact O-CA 3.21Å; D508-L537 WeakPolarHBondContact O-CD1 3.4Å; D508-I538 HydrophobicContact CB-CB 4.01Å; D508-I538 HydrophobicContact CB-CD1 4.2Å; D508-I538 HydrophobicContact CB-CG1 4.25Å; D508-I538 PolarHBondContact O-N 3.44Å; D508-R540 IonicContact OD2-CZ 2.81Å; D508-R540 IonicContact OD2-NE 3.8Å; D508-R540 PolarHBondContact OD2-NE 3.43Å; D508-R540 VanDerWaalsContact OD2-NE 3.13Å; D508-R540 IonicContact OD2-NH2 3.51Å; D508-R540 PolarHBondContact OD2-NH2 3.19Å; D508-R540 VanDerWaalsContact OD2-NH2 3.16Å; D508-F543 HydrophobicContact CB-CE2 4.42Å
509	F	67.1	Low	54.1	Low	1 Å²	1	76 Å²	76	0%	0.004	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	108.4	-177.2	-167.9	-123.5	0	0	0	113.8	L473 P503 N506 S507 V535 R536 L537 V548	L473-F509 HydrophobicContact CB-CD1 3.91Å; L473-F509 HydrophobicContact CB-CE1 3.56Å; L473-F509 HydrophobicContact CB-CE2 4.27Å; L473-F509 HydrophobicContact CB-CG 4.42Å; L473-F509 HydrophobicContact CB-CZ 3.76Å; L473-F509 HydrophobicContact CD2-CB 4.17Å; L473-F509 HydrophobicContact CD2-CD1 4.13Å; L473-F509 HydrophobicContact CD2-CD2 4.17Å; L473-F509 HydrophobicContact CD2-CG 3.93Å; P503-F509 WeakPolarHBondContact CA-O 3.29Å; P503-F509 HydrophobicContact CB-CD1 3.64Å; P503-F509 HydrophobicContact CB-CE1 3.81Å; P503-F509 HydrophobicContact CB-CG 4.38Å; P503-F509 HydrophobicContact CG-CE1 4.29Å; N506-F509 HydrophobicContact CB-CB 4.41Å; N506-F509 PolarHBondContact O-N 2.79Å; S507-F509 VanDerWaalsContact C-N 3.28Å; S507-F509 PolarHBondContact O-N 3.25Å; F509-V535 HydrophobicContact CD2-CG1 3.99Å; F509-V535 HydrophobicContact CE1-CG1 4.1Å; F509-V535 HydrophobicContact CE2-CG1 3.4Å; F509-V535 VanDerWaalsContact CE2-CG1 3.4Å; F509-V535 HydrophobicContact CZ-CG1 3.47Å; F509-V535 VanDerWaalsContact CZ-CG1 3.47Å; F509-R536 CarbonylContact C-O 3.49Å; F509-R536 VanDerWaalsContact CA-O 3.27Å; F509-R536 WeakPolarHBondContact CA-O 3.39Å; F509-R536 WeakPolarHBondContact CD2-O 3.45Å; F509-L537 HydrophobicContact CB-CD1 4.2Å; F509-L537 HydrophobicContact CD2-CB 3.9Å; F509-L537 HydrophobicContact CD2-CD1 3.65Å; F509-L537 HydrophobicContact CD2-CG 4.3Å; F509-L537 HydrophobicContact CE2-CB 4.34Å; F509-L537 HydrophobicContact CE2-CD1 4.42Å; F509-L537 HydrophobicContact CG-CD1 4.29Å; F509-V548 HydrophobicContact CE2-CG1 4.29Å; F509-V548 HydrophobicContact CE2-CG2 4.39Å; F509-V548 HydrophobicContact CZ-CG1 4.32Å
510	E	66	Low	54.5	Low	110 Å²	110	78.2 Å²	78.2	51%	0.514	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.7	-164.5	-176.3	-176.3	-134.1	0	0	114	V535 R536	E510-V535 WeakPolarHBondContact O-CG1 3.49Å; E510-R536 HydrophobicContact CB-CB 4.46Å; E510-R536 PolarHBondContact N-O 2.79Å; E510-R536 PolarHBondContact O-N 2.94Å
511	Y	59.8	Low	55.2	Low	75 Å²	75	81.1 Å²	81.1	29%	0.294	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.7	-174.8	-164	-124.2	0	0	0	114.9	W471 P503 M513 V535	W471-Y511 AromaticContact CD1-CE2 3.72Å; P503-Y511 HydrophobicContact CB-CD2 4.46Å; P503-Y511 HydrophobicContact CG-CD2 3.69Å; P503-Y511 HydrophobicContact CG-CG 3.92Å; Y511-M513 HydrophobicContact CD1-CB 4.35Å; Y511-M513 HydrophobicContact CE1-CB 3.64Å; Y511-M513 HydrophobicContact CE1-CG 3.93Å; Y511-M513 HydrophobicContact CE1-SD 3.72Å; Y511-V535 HydrophobicContact CD2-CG2 3.82Å; Y511-V535 HydrophobicContact CE2-CG2 4.05Å
512	I	55.6	Low	56.2	Low	62 Å²	62	83 Å²	83	32%	0.318	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	114.5	171.5	-54.8	-179.6	0	0	0	109.8
513	M	49.1	Very low	57.1	Low	123 Å²	123	79.7 Å²	79.7	61%	0.606	42%	0.418	S	S	*	.			trans	-96.1	140.2	-175.7	-157.3	151.9	69.3	0	0	112.7	Y511	Y511-M513 HydrophobicContact CD1-CB 4.35Å; Y511-M513 HydrophobicContact CE1-CB 3.64Å; Y511-M513 HydrophobicContact CE1-CG 3.93Å; Y511-M513 HydrophobicContact CE1-SD 3.72Å
514	S	50	Low	57.9	Low	34 Å²	34	84.8 Å²	84.8	24%	0.238	45%	0.451	C	S	.	.			trans	-142.3	43.2	-171.9	53.9	0	0	0	0	113.8	I516 Y517	S514-I516 PolarHBondContact O-N 3.34Å; S514-Y517 PolarHBondContact O-N 2.77Å
515	D	47.6	Very low	59	Low	92 Å²	92	84.6 Å²	84.6	49%	0.492	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-49.6	-29.6	-178.8	-73.5	-58.6	0	0	0	114.4	Y517 S518	D515-Y517 PolarHBondContact O-N 3.22Å; D515-S518 PolarHBondContact O-OG 3.35Å
516	I	46.3	Very low	60.4	Low	157 Å²	157	80.4 Å²	80.4	81%	0.805	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-56.9	-29.1	-177.1	-59.5	173	0	0	0	113.5	S514 S518	S514-I516 PolarHBondContact O-N 3.34Å; I516-S518 PolarHBondContact O-N 3.3Å
517	Y	48.2	Very low	61.3	Low	167 Å²	167	80.3 Å²	80.3	66%	0.655	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-86	-1.8	-170.7	-95.9	-76	0	0	0	116	S514 D515	S514-Y517 PolarHBondContact O-N 2.77Å; D515-Y517 PolarHBondContact O-N 3.22Å
518	S	49.1	Very low	62.4	Low	12 Å²	12	75.2 Å²	75.2	8%	0.084	39%	0.392	C	S	.	.	S	Bend	trans	-90.1	-37	-166.2	54	0	0	0	0	115	R466 D515 I516 T520 K521	R466-S518 PolarHBondContact NH1-OG 2.86Å; R466-S518 PolarHBondContact NH2-OG 3.1Å; D515-S518 PolarHBondContact O-OG 3.35Å; I516-S518 PolarHBondContact O-N 3.3Å; S518-T520 PolarHBondContact O-N 2.97Å; S518-T520 VanDerWaalsContact O-N 3.11Å; S518-K521 PolarHBondContact O-N 2.66Å
519	D	50.8	Low	63.2	Low	98 Å²	98	78.3 Å²	78.3	52%	0.524	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.1	-171.1	-66.7	-53.6	0	0	0	114.8	R466	R466-D519 IonicContact CZ-OD1 3.07Å; R466-D519 IonicContact NH1-OD1 2.76Å; R466-D519 PolarHBondContact NH1-OD1 2.97Å; R466-D519 IonicContact NH1-OD2 3.95Å; R466-D519 PolarHBondContact NH1-OD2 3.02Å
520	T	55.7	Low	64	Low	116 Å²	116	80 Å²	80	71%	0.712	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-4.7	177.7	56.2	0	0	0	0	114.3	S518	S518-T520 PolarHBondContact O-N 2.97Å; S518-T520 VanDerWaalsContact O-N 3.11Å
521	K	63.7	Low	64.8	Low	111 Å²	111	74.9 Å²	74.9	48%	0.483	39%	0.388	S	S	.	.			trans	-115.4	107.3	-176.7	-72.7	-174.4	176.4	179.9	0	112.3	S518 I530	S518-K521 PolarHBondContact O-N 2.66Å; K521-I530 HydrophobicContact CB-CB 4.27Å; K521-I530 HydrophobicContact CB-CD1 4.46Å; K521-I530 PolarHBondContact O-N 2.95Å
522	H	71.3	Confident	66	Low	102 Å²	102	76.2 Å²	76.2	47%	0.472	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-104.7	149.5	165.2	-64.4	6	0	0	0	109.9	G528 Y529	H522-G528 CarbonylContact C-O 3.47Å; H522-G528 WeakPolarHBondContact CA-O 3.27Å; H522-Y529 AromaticContact CE1-CD1 3.67Å; H522-Y529 AromaticContact CE1-CE1 3.5Å; H522-Y529 VanDerWaalsContact CE1-CE1 3.5Å; H522-Y529 WeakPolarHBondContact CE1-CE1 3.48Å; H522-Y529 AromaticContact ND1-CD1 3.99Å
523	D	76.4	Confident	67.4	Low	10 Å²	10	73.5 Å²	73.5	5%	0.053	38%	0.38	C	S	.	.			trans	-80	119.2	174.9	178.7	-14.6	0	0	0	110.1	K461 G462 N525 N526 G527 G528 I530	K461-D523 WeakPolarHBondContact CA-OD2 3.41Å; K461-D523 WeakPolarHBondContact CB-OD2 3.26Å; G462-D523 VanDerWaalsContact N-CB 3.34Å; G462-D523 PolarHBondContact N-OD2 3.49Å; D523-N525 PolarHBondContact O-N 2.91Å; D523-N525 VanDerWaalsContact O-N 3.11Å; D523-N525 WeakPolarHBondContact OD1-CB 3.41Å; D523-N525 PolarHBondContact OD1-N 2.63Å; D523-N525 PolarHBondContact OD1-ND2 3.13Å; D523-N526 WeakPolarHBondContact CB-OD1 3.16Å; D523-N526 PolarHBondContact O-N 2.81Å; D523-N526 PolarHBondContact OD2-ND2 3.41Å; D523-N526 PolarHBondContact OD2-OD1 2.86Å; D523-G527 WeakPolarHBondContact O-CA 3.45Å; D523-G527 PolarHBondContact O-N 2.79Å; D523-G528 PolarHBondContact N-O 2.84Å; D523-I530 HydrophobicContact CB-CD1 4.29Å; D523-I530 HydrophobicContact CB-CG1 4.47Å
524	P	72.8	Confident	69.1	Low	125 Å²	125	69.9 Å²	69.9	81%	0.812	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.2	-175.7	28.6	-35.6	0	0	0	113.8
525	N	75	Confident	70.9	Confident	118 Å²	118	68.3 Å²	68.3	63%	0.631	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-20.3	-177	-51.4	-85.5	0	0	0	113.6	A402 D523	A402-N525 WeakPolarHBondContact CA-O 3.08Å; A402-N525 WeakPolarHBondContact CB-O 3.48Å; D523-N525 PolarHBondContact O-N 2.91Å; D523-N525 VanDerWaalsContact O-N 3.11Å; D523-N525 WeakPolarHBondContact OD1-CB 3.41Å; D523-N525 PolarHBondContact OD1-N 2.63Å; D523-N525 PolarHBondContact OD1-ND2 3.13Å
526	N	80.3	Confident	72.8	Confident	10 Å²	10	68.8 Å²	68.8	5%	0.053	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	-3.4	-176.6	64.1	29	0	0	0	115	E401 N404 F432 D523 G528	E401-N526 HydrophobicContact CB-CB 3.92Å; E401-N526 WeakPolarHBondContact O-CB 3.25Å; N404-N526 PolarHBondContact ND2-O 2.86Å; F432-N526 HydrophobicContact CE2-CB 4.14Å; F432-N526 VanDerWaalsContact CE2-CG 3.49Å; F432-N526 HydrophobicContact CZ-CB 3.85Å; D523-N526 WeakPolarHBondContact CB-OD1 3.16Å; D523-N526 PolarHBondContact O-N 2.81Å; D523-N526 PolarHBondContact OD2-ND2 3.41Å; D523-N526 PolarHBondContact OD2-OD1 2.86Å; N526-G528 VanDerWaalsContact C-N 3.29Å; N526-G528 PolarHBondContact O-N 3.14Å; N526-G528 PolarHBondContact OD1-N 3.1Å
527	G	76	Confident	74.8	Confident	35 Å²	35	61.6 Å²	61.6	36%	0.361	31%	0.308	S	S	.	.			trans	71.1	15.5	179.9	0	0	0	0	0	115.2	D523	D523-G527 WeakPolarHBondContact O-CA 3.45Å; D523-G527 PolarHBondContact O-N 2.79Å
528	G	81.9	Confident	76.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-89.8	161	-178.2	0	0	0	0	0	114.9	G462 S463 H522 D523 N526	G462-G528 VanDerWaalsContact CA-C 3.44Å; G462-G528 WeakPolarHBondContact CA-O 3.39Å; S463-G528 CarbonylContact O-C 3.56Å; S463-G528 VanDerWaalsContact O-CA 3.27Å; S463-G528 WeakPolarHBondContact O-CA 3.35Å; H522-G528 CarbonylContact C-O 3.47Å; H522-G528 WeakPolarHBondContact CA-O 3.27Å; D523-G528 PolarHBondContact N-O 2.84Å; N526-G528 VanDerWaalsContact C-N 3.29Å; N526-G528 PolarHBondContact O-N 3.14Å; N526-G528 PolarHBondContact OD1-N 3.1Å
529	Y	84.1	Confident	78.4	Confident	86 Å²	86	55.6 Å²	55.6	34%	0.337	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-80.7	139.1	-179.6	-57.7	-91.5	0	0	0	113.4	G462 S463 R466 H522	G462-Y529 CarbonylContact C-O 3.49Å; G462-Y529 WeakPolarHBondContact CA-O 3.23Å; S463-Y529 PolarHBondContact N-O 2.86Å; S463-Y529 WeakPolarHBondContact O-CD2 3.48Å; S463-Y529 PolarHBondContact O-N 3.05Å; S463-Y529 PolarHBondContact OG-O 3.35Å; R466-Y529 HydrophobicContact CB-CD2 4.11Å; R466-Y529 HydrophobicContact CB-CG 3.92Å; H522-Y529 AromaticContact CE1-CD1 3.67Å; H522-Y529 AromaticContact CE1-CE1 3.5Å; H522-Y529 VanDerWaalsContact CE1-CE1 3.5Å; H522-Y529 WeakPolarHBondContact CE1-CE1 3.48Å; H522-Y529 AromaticContact ND1-CD1 3.99Å
530	I	83.6	Confident	80.2	Confident	36 Å²	36	54.3 Å²	54.3	19%	0.185	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-103	143	179.6	-61.4	174.6	0	0	0	111.1	S459 K521 D523	S459-I530 WeakPolarHBondContact OG-CA 3.48Å; K521-I530 HydrophobicContact CB-CB 4.27Å; K521-I530 HydrophobicContact CB-CD1 4.46Å; K521-I530 PolarHBondContact O-N 2.95Å; D523-I530 HydrophobicContact CB-CD1 4.29Å; D523-I530 HydrophobicContact CB-CG1 4.47Å
531	A	83.5	Confident	81.5	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.033	25%	0.246	C	C	.	.			trans	-108.2	157.2	179.1	0	0	0	0	0	113.2	Q458 S459 I469 L552	Q458-A531 CarbonylContact C-O 3.4Å; Q458-A531 WeakPolarHBondContact CA-O 3.04Å; Q458-A531 WeakPolarHBondContact CB-O 3.44Å; S459-A531 PolarHBondContact N-O 2.67Å; S459-A531 PolarHBondContact OG-N 3.5Å; S459-A531 VanDerWaalsContact OG-N 3.07Å; I469-A531 HydrophobicContact CD1-CB 4.08Å; I469-A531 HydrophobicContact CG1-CB 4.25Å; A531-L552 HydrophobicContact CB-CD1 3.87Å
532	Y	85.6	Confident	82.5	Confident	102 Å²	102	49.8 Å²	49.8	40%	0.4	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.1	-172.8	-171.1	-93.3	0	0	0	114.7	C457 Q458	C457-Y532 CarbonylContact O-C 3.48Å; C457-Y532 VanDerWaalsContact O-CA 3.26Å; C457-Y532 WeakPolarHBondContact O-CA 3.43Å; Q458-Y532 HydrophobicContact CB-CD2 3.86Å
533	S	83.8	Confident	83.2	Confident	5 Å²	5	45.5 Å²	45.5	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	165.5	178	-164.3	0	0	0	0	115.9	T456 C457 W471	T456-S533 CarbonylContact C-O 3.59Å; T456-S533 WeakPolarHBondContact CA-O 3.45Å; C457-S533 PolarHBondContact N-O 2.89Å; C457-S533 PolarHBondContact O-N 3.48Å; W471-S533 PolarHBondContact NE1-OG 2.66Å
534	E	86.4	Confident	83.7	Confident	48 Å²	48	45.3 Å²	45.3	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.6	178.7	-179.8	177.2	135.9	0	0	114.9	V454 F455 T456 R536	V454-E534 HydrophobicContact CG1-CG 3.92Å; F455-E534 CarbonylContact O-C 3.56Å; F455-E534 VanDerWaalsContact O-CA 3.29Å; F455-E534 WeakPolarHBondContact O-CA 3.25Å; F455-E534 WeakPolarHBondContact O-CG 3.38Å; T456-E534 HydrophobicContact CG2-CB 4.07Å; T456-E534 HydrophobicContact CG2-CG 3.91Å; E534-R536 IonicContact OE1-NE 3.68Å; E534-R536 IonicContact OE1-NH2 3.52Å
535	V	86.5	Confident	84.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.9	178.1	-175	0	0	0	0	113	V454 F455 W471 P503 F509 E510 Y511	V454-V535 CarbonylContact C-O 3.45Å; V454-V535 WeakPolarHBondContact CA-O 3.27Å; F455-V535 PolarHBondContact N-O 2.84Å; F455-V535 PolarHBondContact O-N 3.3Å; W471-V535 HydrophobicContact CB-CG2 4.02Å; W471-V535 HydrophobicContact CD2-CB 4.25Å; W471-V535 HydrophobicContact CD2-CG2 3.31Å; W471-V535 VanDerWaalsContact CE2-CG2 3.42Å; W471-V535 HydrophobicContact CE3-CB 4.28Å; W471-V535 HydrophobicContact CE3-CG2 3.81Å; W471-V535 HydrophobicContact CG-CG2 3.43Å; W471-V535 VanDerWaalsContact CG-CG2 3.43Å; W471-V535 HydrophobicContact CH2-CG2 4.36Å; W471-V535 HydrophobicContact CZ2-CG2 3.96Å; W471-V535 HydrophobicContact CZ3-CB 4.45Å; W471-V535 HydrophobicContact CZ3-CG2 4.31Å; P503-V535 HydrophobicContact CB-CG1 4.3Å; F509-V535 HydrophobicContact CD2-CG1 3.99Å; F509-V535 HydrophobicContact CE1-CG1 4.1Å; F509-V535 HydrophobicContact CE2-CG1 3.4Å; F509-V535 VanDerWaalsContact CE2-CG1 3.4Å; F509-V535 HydrophobicContact CZ-CG1 3.47Å; F509-V535 VanDerWaalsContact CZ-CG1 3.47Å; E510-V535 WeakPolarHBondContact O-CG1 3.49Å; Y511-V535 HydrophobicContact CD2-CG2 3.82Å; Y511-V535 HydrophobicContact CE2-CG2 4.05Å
536	R	88.5	Confident	84.8	Confident	103 Å²	103	34.6 Å²	34.6	39%	0.389	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.9	179.7	-53.1	-176.7	173.4	169.2	-2.1	114.1	K453 V454 F509 E510 E534	K453-R536 CarbonylContact O-C 3.46Å; V454-R536 HydrophobicContact CG1-CG 4.26Å; V454-R536 HydrophobicContact CG2-CG 4.16Å; F509-R536 CarbonylContact C-O 3.49Å; F509-R536 VanDerWaalsContact CA-O 3.27Å; F509-R536 WeakPolarHBondContact CA-O 3.39Å; F509-R536 WeakPolarHBondContact CD2-O 3.45Å; E510-R536 HydrophobicContact CB-CB 4.46Å; E510-R536 PolarHBondContact N-O 2.79Å; E510-R536 PolarHBondContact O-N 2.94Å; E534-R536 IonicContact OE1-NE 3.68Å; E534-R536 IonicContact OE1-NH2 3.52Å
537	L	88.1	Confident	85.2	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.5	-176.4	-177.9	66.7	0	0	0	113.8	T452 K453 F455 L473 D508 F509 V548 T583	T452-L537 CarbonylContact C-O 3.55Å; T452-L537 VanDerWaalsContact CA-O 3.31Å; T452-L537 WeakPolarHBondContact CA-O 3.34Å; K453-L537 PolarHBondContact N-O 3.14Å; K453-L537 PolarHBondContact O-N 3.25Å; F455-L537 HydrophobicContact CE2-CB 4.03Å; F455-L537 HydrophobicContact CE2-CD2 4.24Å; L473-L537 HydrophobicContact CD1-CD1 4.22Å; L473-L537 HydrophobicContact CD1-CD2 4.25Å; L473-L537 HydrophobicContact CD2-CD1 3.83Å; D508-L537 CarbonylContact O-C 3.53Å; D508-L537 VanDerWaalsContact O-CA 3.25Å; D508-L537 WeakPolarHBondContact O-CA 3.21Å; D508-L537 WeakPolarHBondContact O-CD1 3.4Å; F509-L537 HydrophobicContact CB-CD1 4.2Å; F509-L537 HydrophobicContact CD2-CB 3.9Å; F509-L537 HydrophobicContact CD2-CD1 3.65Å; F509-L537 HydrophobicContact CD2-CG 4.3Å; F509-L537 HydrophobicContact CE2-CB 4.34Å; F509-L537 HydrophobicContact CE2-CD1 4.42Å; F509-L537 HydrophobicContact CG-CD1 4.29Å; L537-V548 HydrophobicContact CD2-CG2 3.85Å; L537-T583 HydrophobicContact CD2-CG2 3.52Å
538	I	87.1	Confident	85.8	Confident	46 Å²	46	35.7 Å²	35.7	24%	0.236	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.3	167.5	-53.9	177.5	0	0	0	111.7	T452 D508 F543	T452-I538 HydrophobicContact CG2-CG1 3.85Å; D508-I538 HydrophobicContact CB-CB 4.01Å; D508-I538 HydrophobicContact CB-CD1 4.2Å; D508-I538 HydrophobicContact CB-CG1 4.25Å; D508-I538 PolarHBondContact O-N 3.44Å; I538-F543 WeakPolarHBondContact O-CD2 3.47Å
539	G	86.4	Confident	86.1	Confident	7 Å²	7	35.8 Å²	35.8	7%	0.072	16%	0.156	C	C	.	.			trans	-79	129.6	178.4	0	0	0	0	0	114	N450 R451	N450-G539 PolarHBondContact N-O 2.76Å; R451-G539 PolarHBondContact O-N 3.21Å
540	R	87.5	Confident	86.4	Confident	70 Å²	70	31.7 Å²	31.7	26%	0.264	14%	0.14	S	C	.	.			trans	-140.3	160.4	176	-55.2	-69.8	-167.3	156.5	11.8	109.4	N450 D508 W542 F543 N544	N450-R540 PolarHBondContact OD1-NH1 2.74Å; D508-R540 IonicContact OD2-CZ 2.81Å; D508-R540 IonicContact OD2-NE 3.8Å; D508-R540 PolarHBondContact OD2-NE 3.43Å; D508-R540 VanDerWaalsContact OD2-NE 3.13Å; D508-R540 IonicContact OD2-NH2 3.51Å; D508-R540 PolarHBondContact OD2-NH2 3.19Å; D508-R540 VanDerWaalsContact OD2-NH2 3.16Å; R540-W542 VanDerWaalsContact C-N 3.35Å; R540-W542 HydrophobicContact CB-CD2 3.88Å; R540-W542 VanDerWaalsContact CB-CE2 3.46Å; R540-W542 HydrophobicContact CB-CE3 4.34Å; R540-W542 HydrophobicContact CB-CG 4.4Å; R540-W542 HydrophobicContact CB-CH2 4.1Å; R540-W542 HydrophobicContact CB-CZ2 3.6Å; R540-W542 HydrophobicContact CB-CZ3 4.43Å; R540-W542 HydrophobicContact CG-CH2 4.22Å; R540-W542 HydrophobicContact CG-CZ2 3.56Å; R540-W542 PolarHBondContact O-N 2.81Å; R540-F543 HydrophobicContact CB-CB 4.47Å; R540-F543 HydrophobicContact CB-CD2 3.72Å; R540-F543 HydrophobicContact CB-CE2 4.39Å; R540-F543 HydrophobicContact CB-CG 4.38Å; R540-F543 HydrophobicContact CG-CD2 3.69Å; R540-F543 HydrophobicContact CG-CE2 4Å; R540-F543 CarbonylContact O-C 3.12Å; R540-F543 WeakPolarHBondContact O-CA 3.37Å; R540-F543 WeakPolarHBondContact O-CB 3.22Å; R540-F543 PolarHBondContact O-N 2.98Å; R540-N544 PolarHBondContact O-N 3Å
541	P	83.4	Confident	86.4	Confident	15 Å²	15	30.5 Å²	30.5	10%	0.097	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-57.7	-43.5	-178.7	-27.1	36.5	0	0	0	112.9	E449 F543 N544 F587 Y671	E449-P541 VanDerWaalsContact CD-CD 3.45Å; E449-P541 VanDerWaalsContact CD-CG 3.46Å; E449-P541 HydrophobicContact CG-CG 4.31Å; E449-P541 WeakPolarHBondContact OE1-CD 3.39Å; E449-P541 WeakPolarHBondContact OE1-CG 3.24Å; E449-P541 WeakPolarHBondContact OE2-CG 3.47Å; P541-F543 PolarHBondContact O-N 2.73Å; P541-N544 WeakPolarHBondContact O-CB 3.31Å; P541-N544 PolarHBondContact O-N 2.84Å; P541-F587 HydrophobicContact CB-CD1 4.06Å; P541-F587 HydrophobicContact CB-CE1 4.45Å; P541-F587 HydrophobicContact CB-CG 4.39Å; P541-F587 HydrophobicContact CG-CB 4.43Å; P541-Y671 HydrophobicContact CB-CD2 4.11Å; P541-Y671 WeakPolarHBondContact O-CB 3.18Å
542	W	84.8	Confident	86.5	Confident	118 Å²	118	30.3 Å²	30.3	45%	0.447	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-69.1	-13.8	175.2	57.2	81.6	0	0	0	114.5	R540 Y671	R540-W542 VanDerWaalsContact C-N 3.35Å; R540-W542 HydrophobicContact CB-CD2 3.88Å; R540-W542 VanDerWaalsContact CB-CE2 3.46Å; R540-W542 HydrophobicContact CB-CE3 4.34Å; R540-W542 HydrophobicContact CB-CG 4.4Å; R540-W542 HydrophobicContact CB-CH2 4.1Å; R540-W542 HydrophobicContact CB-CZ2 3.6Å; R540-W542 HydrophobicContact CB-CZ3 4.43Å; R540-W542 HydrophobicContact CG-CH2 4.22Å; R540-W542 HydrophobicContact CG-CZ2 3.56Å; R540-W542 PolarHBondContact O-N 2.81Å; W542-Y671 HydrophobicContact CB-CD1 3.96Å; W542-Y671 HydrophobicContact CB-CE1 3.95Å
543	F	86.5	Confident	86.3	Confident	11 Å²	11	26.1 Å²	26.1	5%	0.048	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-93.3	3.6	167.2	-61.7	-44	0	0	0	112.8	L473 D508 I538 R540 P541 G545 A546 T583	L473-F543 HydrophobicContact CD2-CE1 4.22Å; D508-F543 HydrophobicContact CB-CE2 4.42Å; I538-F543 WeakPolarHBondContact O-CD2 3.47Å; R540-F543 HydrophobicContact CB-CB 4.47Å; R540-F543 HydrophobicContact CB-CD2 3.72Å; R540-F543 HydrophobicContact CB-CE2 4.39Å; R540-F543 HydrophobicContact CB-CG 4.38Å; R540-F543 HydrophobicContact CG-CD2 3.69Å; R540-F543 HydrophobicContact CG-CE2 4Å; R540-F543 CarbonylContact O-C 3.12Å; R540-F543 WeakPolarHBondContact O-CA 3.37Å; R540-F543 WeakPolarHBondContact O-CB 3.22Å; R540-F543 PolarHBondContact O-N 2.98Å; P541-F543 PolarHBondContact O-N 2.73Å; F543-G545 PolarHBondContact O-N 2.8Å; F543-A546 HydrophobicContact CB-CB 4.16Å; F543-A546 HydrophobicContact CD1-CB 4.18Å; F543-A546 WeakPolarHBondContact O-CB 3.28Å; F543-A546 PolarHBondContact O-N 3Å; F543-A546 VanDerWaalsContact O-N 3.11Å; F543-T583 WeakPolarHBondContact O-CB 3.46Å; F543-T583 PolarHBondContact O-OG1 2.89Å
544	N	87.2	Confident	86.4	Confident	7 Å²	7	26.5 Å²	26.5	4%	0.037	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	126.3	166	-172.7	46.1	0	0	0	109.7	A476 R540 P541 A546 E584 V585 F587 Y671	A476-N544 WeakPolarHBondContact CB-O 3.48Å; R540-N544 PolarHBondContact O-N 3Å; P541-N544 WeakPolarHBondContact O-CB 3.31Å; P541-N544 PolarHBondContact O-N 2.84Å; N544-A546 PolarHBondContact O-N 2.85Å; N544-E584 WeakPolarHBondContact OD1-CA 3.25Å; N544-V585 HydrophobicContact CB-CB 4.06Å; N544-V585 PolarHBondContact OD1-N 2.85Å; N544-F587 HydrophobicContact CB-CE1 3.97Å; N544-Y671 WeakPolarHBondContact CB-O 3.35Å; N544-Y671 PolarHBondContact ND2-O 2.77Å
545	G	84.1	Confident	86	Confident	17 Å²	17	24.5 Å²	24.5	18%	0.175	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	11.4	-169.8	0	0	0	0	0	114.7	A476 Y479 F543 T583	A476-G545 WeakPolarHBondContact CB-O 3.25Å; Y479-G545 PolarHBondContact OH-O 3.39Å; F543-G545 PolarHBondContact O-N 2.8Å; G545-T583 VanDerWaalsContact CA-O 3.29Å; G545-T583 WeakPolarHBondContact CA-O 3.44Å; G545-T583 PolarHBondContact N-O 3.11Å
546	A	86	Confident	85.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.119	C	C	.	.			trans	-66.2	152.2	172.9	0	0	0	0	0	110.9	L473 F543 N544 L582 T583	L473-A546 HydrophobicContact CD1-CB 4.36Å; F543-A546 HydrophobicContact CB-CB 4.16Å; F543-A546 HydrophobicContact CD1-CB 4.18Å; F543-A546 WeakPolarHBondContact O-CB 3.28Å; F543-A546 PolarHBondContact O-N 3Å; F543-A546 VanDerWaalsContact O-N 3.11Å; N544-A546 PolarHBondContact O-N 2.85Å; A546-L582 WeakPolarHBondContact O-CA 3.28Å; A546-T583 WeakPolarHBondContact CB-OG1 3.37Å; A546-T583 PolarHBondContact N-OG1 2.78Å; A546-T583 VanDerWaalsContact N-OG1 3.17Å; A546-T583 PolarHBondContact O-N 3.38Å; A546-T583 PolarHBondContact O-OG1 2.83Å
547	R	87.4	Confident	84.7	Confident	68 Å²	68	27.4 Å²	27.4	26%	0.257	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.4	-175	-171.4	-173.5	-65.6	175.9	1.7	109.9	L473 T474 Y479 S549 Y580 L582	L473-R547 WeakPolarHBondContact CA-O 3.25Å; T474-R547 PolarHBondContact N-O 3.2Å; T474-R547 PolarHBondContact O-N 3.43Å; Y479-R547 HydrophobicContact CE1-CB 3.95Å; R547-S549 VanDerWaalsContact CD-OG 3.3Å; R547-S549 WeakPolarHBondContact CD-OG 3.2Å; R547-S549 WeakPolarHBondContact CG-OG 3.3Å; R547-Y580 VanDerWaalsContact CG-CB 3.42Å; R547-Y580 HydrophobicContact CG-CD2 3.76Å; R547-Y580 HydrophobicContact CG-CG 3.65Å; R547-L582 HydrophobicContact CB-CD2 4.26Å; R547-L582 HydrophobicContact CG-CD2 4.43Å
548	V	89.7	Confident	83.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.3	166	-178.8	0	0	0	0	107.3	F455 W471 L473 F509 L537 Y580 L581 T583	F455-V548 HydrophobicContact CB-CG1 4.3Å; F455-V548 HydrophobicContact CD1-CB 4.07Å; F455-V548 HydrophobicContact CD1-CG1 3.9Å; F455-V548 HydrophobicContact CD1-CG2 4.45Å; F455-V548 HydrophobicContact CD2-CG1 4.16Å; F455-V548 HydrophobicContact CD2-CG2 4.35Å; F455-V548 HydrophobicContact CE1-CB 3.93Å; F455-V548 HydrophobicContact CE1-CG1 4.26Å; F455-V548 HydrophobicContact CE1-CG2 3.99Å; F455-V548 HydrophobicContact CE2-CG2 3.89Å; F455-V548 HydrophobicContact CG-CB 4.43Å; F455-V548 HydrophobicContact CG-CG1 3.86Å; F455-V548 HydrophobicContact CZ-CB 4.17Å; F455-V548 HydrophobicContact CZ-CG2 3.7Å; W471-V548 HydrophobicContact CE3-CG1 4.04Å; W471-V548 HydrophobicContact CZ3-CG1 3.91Å; L473-V548 HydrophobicContact CD1-CG2 3.92Å; F509-V548 HydrophobicContact CE2-CG1 4.29Å; F509-V548 HydrophobicContact CE2-CG2 4.39Å; F509-V548 HydrophobicContact CZ-CG1 4.32Å; L537-V548 HydrophobicContact CD2-CG2 3.85Å; V548-Y580 CarbonylContact O-C 3.42Å; V548-Y580 WeakPolarHBondContact O-CA 3.46Å; V548-Y580 WeakPolarHBondContact O-CB 3.29Å; V548-L581 PolarHBondContact N-O 2.81Å; V548-L581 PolarHBondContact O-N 3Å; V548-T583 HydrophobicContact CG2-CG2 4.26Å
549	S	88.4	Confident	82.5	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.8	-172.2	-54.8	0	0	0	0	111.5	W471 E472 R547 H551 A579	W471-S549 WeakPolarHBondContact CA-O 3.41Å; E472-S549 PolarHBondContact N-O 3.1Å; E472-S549 PolarHBondContact O-N 3.49Å; R547-S549 VanDerWaalsContact CD-OG 3.3Å; R547-S549 WeakPolarHBondContact CD-OG 3.2Å; R547-S549 WeakPolarHBondContact CG-OG 3.3Å; S549-H551 WeakPolarHBondContact CB-NE2 3.4Å; S549-A579 CarbonylContact C-O 3.52Å; S549-A579 WeakPolarHBondContact CA-O 3.47Å
550	C	89.3	Confident	81.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.3	170.4	171.7	0	0	0	0	109.5	L439 C457 I469 W471 I578 A579	L439-C550 HydrophobicContact CD2-CB 4.36Å; C457-C550 HydrophobicContact CB-CB 3.7Å; C457-C550 WeakPolarHBondContact CB-SG 3.17Å; C457-C550 WeakPolarHBondContact SG-CB 3.4Å; C457-C550 CovalentContact SG-SG 2.03Å; C457-C550 PolarHBondContact SG-SG 2.71Å; I469-C550 VanDerWaalsContact CG2-SG 3.5Å; W471-C550 HydrophobicContact CD2-CB 4.32Å; W471-C550 HydrophobicContact CE3-CB 4.07Å; W471-C550 HydrophobicContact CH2-CB 4.36Å; W471-C550 HydrophobicContact CZ3-CB 4.09Å; C550-I578 VanDerWaalsContact O-CA 3.32Å; C550-I578 WeakPolarHBondContact O-CA 3.48Å; C550-A579 PolarHBondContact N-O 2.77Å; C550-A579 PolarHBondContact O-N 2.76Å
551	H	84.9	Confident	79.7	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.7	-173.6	-57.6	-128.7	0	0	0	108.8	I469 L470 E472 S549 K577 I578	I469-H551 WeakPolarHBondContact CA-O 3.5Å; L470-H551 HydrophobicContact CB-CB 4.27Å; L470-H551 PolarHBondContact N-O 2.81Å; L470-H551 PolarHBondContact O-N 2.84Å; E472-H551 IonicContact OE2-CE1 2.69Å; E472-H551 PolarHBondContact OE2-CE1 3.03Å; E472-H551 VanDerWaalsContact OE2-CE1 3.23Å; E472-H551 IonicContact OE2-NE2 3.56Å; E472-H551 PolarHBondContact OE2-NE2 3.14Å; S549-H551 WeakPolarHBondContact CB-NE2 3.4Å; H551-K577 CarbonylContact C-O 3.48Å; H551-K577 WeakPolarHBondContact CA-O 3.14Å; H551-I578 HydrophobicContact CB-CG1 4.42Å; H551-I578 WeakPolarHBondContact ND1-CD1 3.18Å
552	L	84.6	Confident	78	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	106.1	176.5	-171.1	65	0	0	0	109.2	P434 P437 A467 K468 I469 A531 Y575 Q576 K577	P434-L552 HydrophobicContact CB-CD2 3.68Å; P434-L552 HydrophobicContact CB-CG 4.5Å; P434-L552 HydrophobicContact CG-CD2 3.58Å; P434-L552 HydrophobicContact CG-CG 3.95Å; P437-L552 HydrophobicContact CB-CB 4.18Å; P437-L552 HydrophobicContact CB-CD2 4.34Å; P437-L552 HydrophobicContact CG-CB 3.86Å; P437-L552 HydrophobicContact CG-CD2 4.45Å; A467-L552 HydrophobicContact CB-CD1 3.86Å; A467-L552 HydrophobicContact CB-CG 4.26Å; K468-L552 CarbonylContact O-C 3.45Å; K468-L552 WeakPolarHBondContact O-CA 3.47Å; I469-L552 HydrophobicContact CD1-CD1 4.46Å; I469-L552 HydrophobicContact CG1-CD1 3.74Å; A531-L552 HydrophobicContact CB-CD1 3.87Å; L552-Y575 HydrophobicContact CB-CE1 4.39Å; L552-Y575 HydrophobicContact CD2-CE1 4.21Å; L552-Y575 HydrophobicContact CG-CE1 4.3Å; L552-Y575 WeakPolarHBondContact O-CD1 3.19Å; L552-Q576 WeakPolarHBondContact O-CA 3.25Å; L552-K577 PolarHBondContact N-O 2.77Å; L552-K577 PolarHBondContact O-N 2.93Å
553	I	82.6	Confident	76.2	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.8	-174.4	-58	175.3	0	0	0	109.3	K468 L470 Y560 I573	K468-I553 PolarHBondContact N-O 3.07Å; K468-I553 PolarHBondContact O-N 3.17Å; L470-I553 HydrophobicContact CB-CD1 4.02Å; L470-I553 HydrophobicContact CD2-CD1 4.04Å; I553-Y560 HydrophobicContact CG2-CD1 4.11Å; I553-Y560 HydrophobicContact CG2-CE1 4.24Å; I553-I573 HydrophobicContact CG2-CD1 4.03Å; I553-I573 HydrophobicContact CG2-CG1 4.24Å; I553-I573 HydrophobicContact CG2-CG2 3.93Å
554	W	85	Confident	74	Confident	12 Å²	12	48.6 Å²	48.6	5%	0.045	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.7	176.6	172.4	101.6	0	0	0	113.7	I431 F432 P434 P465 A467 E556 Y560 R574 Y575	I431-W554 HydrophobicContact CG2-CH2 3.83Å; I431-W554 HydrophobicContact CG2-CZ2 3.77Å; F432-W554 WeakPolarHBondContact O-CZ2 3.16Å; P434-W554 HydrophobicContact CG-CB 4.24Å; P465-W554 PolarHBondContact O-NE1 3.15Å; A467-W554 HydrophobicContact CB-CB 4.05Å; W554-E556 HydrophobicContact CH2-CG 3.74Å; W554-E556 HydrophobicContact CZ3-CG 4.1Å; W554-Y560 WeakPolarHBondContact CA-OH 3.47Å; W554-R574 HydrophobicContact CE3-CB 4Å; W554-R574 HydrophobicContact CZ3-CB 3.76Å; W554-R574 PolarHBondContact O-N 2.9Å; W554-R574 VanDerWaalsContact O-N 3.07Å; W554-Y575 HydrophobicContact CB-CD1 4.24Å; W554-Y575 HydrophobicContact CB-CG 4.49Å; W554-Y575 PolarHBondContact N-O 3.04Å; W554-Y575 PolarHBondContact O-N 3.41Å
555	N	78.5	Confident	72.2	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	27%	0.265	C	S	.	.			trans	-140.3	160.4	171.4	60.7	15.5	0	0	0	112	P465 E557 G558 N559 Y560 K572	P465-N555 WeakPolarHBondContact CG-O 3.39Å; N555-E557 PolarHBondContact O-N 3.07Å; N555-G558 PolarHBondContact O-N 2.82Å; N555-G558 WeakPolarHBondContact OD1-CA 3.48Å; N555-G558 PolarHBondContact OD1-N 2.82Å; N555-N559 PolarHBondContact ND2-O 2.83Å; N555-N559 PolarHBondContact OD1-N 2.05Å; N555-Y560 HydrophobicContact CB-CE1 4.44Å; N555-Y560 PolarHBondContact N-OH 2.94Å; N555-Y560 VanDerWaalsContact N-OH 3.16Å; N555-Y560 WeakPolarHBondContact OD1-CE1 3.28Å; N555-Y560 PolarHBondContact OD1-OH 2.69Å; N555-K572 WeakPolarHBondContact CB-O 3.26Å
556	E	74.8	Confident	70.2	Confident	48 Å²	48	54 Å²	54	22%	0.224	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.3	179.5	-58.7	-169.1	149	0	0	113.3	R335 I431 W554 R574	R335-E556 IonicContact CZ-OE1 3.47Å; R335-E556 IonicContact NE-OE1 3.48Å; R335-E556 PolarHBondContact NE-OE1 3.17Å; R335-E556 VanDerWaalsContact NH2-CD 3.32Å; R335-E556 IonicContact NH2-OE1 2.78Å; R335-E556 PolarHBondContact NH2-OE1 2.75Å; R335-E556 IonicContact NH2-OE2 3.85Å; R335-E556 PolarHBondContact NH2-OE2 2.93Å; I431-E556 HydrophobicContact CG2-CB 4.13Å; I431-E556 HydrophobicContact CG2-CG 3.84Å; W554-E556 HydrophobicContact CH2-CG 3.74Å; W554-E556 HydrophobicContact CZ3-CG 4.1Å; E556-R574 HydrophobicContact CG-CG 4.4Å; E556-R574 IonicContact OE1-CZ 2.66Å; E556-R574 IonicContact OE1-NH1 3.48Å; E556-R574 PolarHBondContact OE1-NH1 3.07Å; E556-R574 IonicContact OE1-NH2 2.9Å; E556-R574 IonicContact OE2-CZ 2.78Å; E556-R574 IonicContact OE2-NH1 3.58Å; E556-R574 PolarHBondContact OE2-NH1 2.93Å; E556-R574 VanDerWaalsContact OE2-NH1 3.12Å; E556-R574 IonicContact OE2-NH2 3.45Å; E556-R574 PolarHBondContact OE2-NH2 2.93Å
557	E	72.3	Confident	67.9	Low	116 Å²	116	62 Å²	62	54%	0.542	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-14.4	-175.8	-59.5	178.4	-180	0	0	113.3	N555 N559 K572	N555-E557 PolarHBondContact O-N 3.07Å; E557-N559 VanDerWaalsContact C-N 3.28Å; E557-N559 PolarHBondContact O-N 3.01Å; E557-K572 VanDerWaalsContact OE1-CE 3.29Å; E557-K572 WeakPolarHBondContact OE1-CE 3.17Å; E557-K572 IonicContact OE1-NZ 3.73Å; E557-K572 PolarHBondContact OE1-NZ 2.72Å; E557-K572 WeakPolarHBondContact OE2-CD 3.17Å; E557-K572 IonicContact OE2-NZ 3.65Å; E557-K572 PolarHBondContact OE2-NZ 2.75Å
558	G	65.9	Low	65.3	Low	32 Å²	32	61.2 Å²	61.2	33%	0.33	33%	0.325	S	S	.	.			trans	71.2	9.2	-179.2	0	0	0	0	0	116.3	N555 Y560	N555-G558 PolarHBondContact O-N 2.82Å; N555-G558 WeakPolarHBondContact OD1-CA 3.48Å; N555-G558 PolarHBondContact OD1-N 2.82Å; G558-Y560 WeakPolarHBondContact O-CD2 3.37Å; G558-Y560 WeakPolarHBondContact O-CE2 3.43Å
559	N	64	Low	62.9	Low	109 Å²	109	67.3 Å²	67.3	58%	0.583	36%	0.362	S	S	*	.			trans	-109.2	127.6	-171.3	-168	-2	0	0	0	112.4	N555 E557	N555-N559 PolarHBondContact ND2-O 2.83Å; N555-N559 PolarHBondContact OD1-N 2.05Å; E557-N559 VanDerWaalsContact C-N 3.28Å; E557-N559 PolarHBondContact O-N 3.01Å
560	Y	62.5	Low	60.6	Low	44 Å²	44	73.2 Å²	73.2	17%	0.173	39%	0.394	C	S	.	.			trans	-137.3	64.1	-165.3	-54.5	-69.2	0	0	0	114.3	R466 K468 I553 W554 N555 G558 V562	R466-Y560 VanDerWaalsContact O-CE2 3.25Å; R466-Y560 WeakPolarHBondContact O-CE2 3.44Å; R466-Y560 PolarHBondContact O-OH 3.02Å; K468-Y560 HydrophobicContact CB-CD2 4.3Å; K468-Y560 HydrophobicContact CB-CG 4.29Å; K468-Y560 HydrophobicContact CD-CG 4.17Å; K468-Y560 PolarHBondContact NZ-O 2.84Å; K468-Y560 VanDerWaalsContact NZ-O 3.14Å; I553-Y560 HydrophobicContact CG2-CD1 4.11Å; I553-Y560 HydrophobicContact CG2-CE1 4.24Å; W554-Y560 WeakPolarHBondContact CA-OH 3.47Å; N555-Y560 HydrophobicContact CB-CE1 4.44Å; N555-Y560 PolarHBondContact N-OH 2.94Å; N555-Y560 VanDerWaalsContact N-OH 3.16Å; N555-Y560 WeakPolarHBondContact OD1-CE1 3.28Å; N555-Y560 PolarHBondContact OD1-OH 2.69Å; G558-Y560 WeakPolarHBondContact O-CD2 3.37Å; G558-Y560 WeakPolarHBondContact O-CE2 3.43Å; Y560-V562 PolarHBondContact O-N 2.92Å
561	D	52.6	Low	58.6	Low	119 Å²	119	82 Å²	82	64%	0.636	43%	0.434	S	S	*	.			trans	-66	125.7	-179.4	-132.1	-37.1	0	0	0	112.8	K563	D561-K563 PolarHBondContact O-N 3.02Å
562	V	47.3	Very low	57	Low	103 Å²	103	87.2 Å²	87.2	62%	0.624	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-75.9	-23.3	-164.8	176.6	0	0	0	0	112.8	K468 Y560 H564	K468-V562 VanDerWaalsContact NZ-CG2 3.33Å; Y560-V562 PolarHBondContact O-N 2.92Å; V562-H564 VanDerWaalsContact C-N 3.33Å; V562-H564 PolarHBondContact O-N 2.93Å
563	K	45.5	Very low	55.6	Low	190 Å²	190	91.1 Å²	91.1	83%	0.826	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-74.7	-11.8	-170.7	-71.8	-176.6	176.4	177.2	0	115.7	D561	D561-K563 PolarHBondContact O-N 3.02Å
564	H	42	Very low	54.3	Low	121 Å²	121	97.2 Å²	97.2	56%	0.56	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-110.2	-1.2	-169.8	-88.4	-56.2	0	0	0	116.6	V562 S566 E567 A568	V562-H564 VanDerWaalsContact C-N 3.33Å; V562-H564 PolarHBondContact O-N 2.93Å; H564-S566 PolarHBondContact O-N 2.8Å; H564-E567 PolarHBondContact O-N 3.39Å; H564-A568 HydrophobicContact CB-CB 4.18Å; H564-A568 WeakPolarHBondContact O-CB 3.24Å; H564-A568 PolarHBondContact O-N 3.35Å
565	V	48.4	Very low	53.2	Low	68 Å²	68	97.9 Å²	97.9	41%	0.412	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.8	-174.6	-175.6	0	0	0	0	113.2	L470	L470-V565 HydrophobicContact CD2-CG1 3.91Å
566	S	41.5	Very low	52.8	Low	69 Å²	69	102.5 Å²	102.5	48%	0.483	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.1	-179.7	-34.1	0	0	0	0	115.1	R502 H564	R502-S566 PolarHBondContact NH2-OG 3.17Å; H564-S566 PolarHBondContact O-N 2.8Å
567	E	37.9	Very low	52.9	Low	168 Å²	168	104.2 Å²	104.2	79%	0.785	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.5	-10	-169.6	-66.7	-169.4	129.8	0	0	114.6	H564 T569	H564-E567 PolarHBondContact O-N 3.39Å; E567-T569 PolarHBondContact O-N 3.48Å
568	A	33.9	Very low	53.4	Low	51 Å²	51	102.4 Å²	102.4	42%	0.421	52%	0.523	S	S	.	.			trans	-80	88.1	-174.9	0	0	0	0	0	114.1	H564 N570	H564-A568 HydrophobicContact CB-CB 4.18Å; H564-A568 WeakPolarHBondContact O-CB 3.24Å; H564-A568 PolarHBondContact O-N 3.35Å; A568-N570 PolarHBondContact O-N 2.8Å
569	T	39.1	Very low	54.4	Low	128 Å²	128	101.6 Å²	101.6	79%	0.785	51%	0.514	S	S	*	.			trans	-70.1	18.4	157.8	43.2	0	0	0	0	113.4	E567 H571	E567-T569 PolarHBondContact O-N 3.48Å; T569-H571 PolarHBondContact O-N 3.33Å; T569-H571 PolarHBondContact O-ND1 3.17Å
570	N	39.8	Very low	55.6	Low	126 Å²	126	101.7 Å²	101.7	67%	0.674	51%	0.507	S	S	*	.			trans	-103	75.2	-170.4	-78.9	-29.9	0	0	0	112.7	A568 K572	A568-N570 PolarHBondContact O-N 2.8Å; N570-K572 PolarHBondContact O-N 3.29Å
571	H	48.3	Very low	56.8	Low	184 Å²	184	100.9 Å²	100.9	85%	0.852	51%	0.505	S	S	*	.	S	Bend	trans	46.2	-3.2	131.6	-77.5	74.8	0	0	0	123	T569	T569-H571 PolarHBondContact O-N 3.33Å; T569-H571 PolarHBondContact O-ND1 3.17Å
572	K	50.4	Low	58.5	Low	123 Å²	123	99.2 Å²	99.2	54%	0.535	50%	0.496	S	S	.	.			trans	-99.1	-26.4	-178.2	-80.7	-160.6	167.5	-149.3	0	114.5	N555 E557 N570 R574	N555-K572 WeakPolarHBondContact CB-O 3.26Å; E557-K572 VanDerWaalsContact OE1-CE 3.29Å; E557-K572 WeakPolarHBondContact OE1-CE 3.17Å; E557-K572 IonicContact OE1-NZ 3.73Å; E557-K572 PolarHBondContact OE1-NZ 2.72Å; E557-K572 WeakPolarHBondContact OE2-CD 3.17Å; E557-K572 IonicContact OE2-NZ 3.65Å; E557-K572 PolarHBondContact OE2-NZ 2.75Å; N570-K572 PolarHBondContact O-N 3.29Å; K572-R574 PolarHBondContact O-N 3.33Å
573	I	55.2	Low	60.4	Low	81 Å²	81	94.7 Å²	94.7	42%	0.415	47%	0.468	S	S	.	.			trans	-73.5	117	171.4	-61.3	173.1	0	0	0	107.5	I553 Y575 Q576	I553-I573 HydrophobicContact CG2-CD1 4.03Å; I553-I573 HydrophobicContact CG2-CG1 4.24Å; I553-I573 HydrophobicContact CG2-CG2 3.93Å; I573-Y575 WeakPolarHBondContact CG2-O 3.4Å; I573-Q576 HydrophobicContact CG2-CB 4.37Å
574	R	55	Low	62.5	Low	142 Å²	142	89.7 Å²	89.7	54%	0.536	45%	0.448	S	S	.	.			trans	-97.9	-26.9	-174.9	-84.3	-80.5	-162.7	81.2	24.1	113	W554 E556 K572	W554-R574 HydrophobicContact CE3-CB 4Å; W554-R574 HydrophobicContact CZ3-CB 3.76Å; W554-R574 PolarHBondContact O-N 2.9Å; W554-R574 VanDerWaalsContact O-N 3.07Å; E556-R574 HydrophobicContact CG-CG 4.4Å; E556-R574 IonicContact OE1-CZ 2.66Å; E556-R574 IonicContact OE1-NH1 3.48Å; E556-R574 PolarHBondContact OE1-NH1 3.07Å; E556-R574 IonicContact OE1-NH2 2.9Å; E556-R574 IonicContact OE2-CZ 2.78Å; E556-R574 IonicContact OE2-NH1 3.58Å; E556-R574 PolarHBondContact OE2-NH1 2.93Å; E556-R574 VanDerWaalsContact OE2-NH1 3.12Å; E556-R574 IonicContact OE2-NH2 3.45Å; E556-R574 PolarHBondContact OE2-NH2 2.93Å; K572-R574 PolarHBondContact O-N 3.33Å
575	Y	62	Low	64.8	Low	26 Å²	26	84 Å²	84	10%	0.102	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.4	-180	177.8	-75.6	0	0	0	108.7	S433 P434 Q435 D436 L552 W554 I573 K577	S433-Y575 WeakPolarHBondContact OG-CD2 3.41Å; P434-Y575 HydrophobicContact CG-CD1 4.01Å; P434-Y575 HydrophobicContact CG-CE1 3.64Å; P434-Y575 WeakPolarHBondContact O-CE2 3.48Å; P434-Y575 PolarHBondContact O-OH 3.18Å; Q435-Y575 VanDerWaalsContact C-OH 3.23Å; Q435-Y575 PolarHBondContact O-OH 3.03Å; D436-Y575 PolarHBondContact N-OH 2.87Å; L552-Y575 HydrophobicContact CB-CE1 4.39Å; L552-Y575 HydrophobicContact CD2-CE1 4.21Å; L552-Y575 HydrophobicContact CG-CE1 4.3Å; L552-Y575 WeakPolarHBondContact O-CD1 3.19Å; W554-Y575 HydrophobicContact CB-CD1 4.24Å; W554-Y575 HydrophobicContact CB-CG 4.49Å; W554-Y575 PolarHBondContact N-O 3.04Å; W554-Y575 PolarHBondContact O-N 3.41Å; I573-Y575 WeakPolarHBondContact CG2-O 3.4Å; Y575-K577 HydrophobicContact CD1-CB 4.48Å; Y575-K577 HydrophobicContact CD1-CG 4.42Å; Y575-K577 HydrophobicContact CD2-CG 4.41Å; Y575-K577 HydrophobicContact CE1-CB 3.57Å; Y575-K577 HydrophobicContact CE1-CG 3.63Å; Y575-K577 HydrophobicContact CE2-CG 3.68Å; Y575-K577 VanDerWaalsContact OH-CG 3.31Å; Y575-K577 WeakPolarHBondContact OH-CG 3.25Å
576	Q	70.9	Confident	66.8	Low	105 Å²	105	83 Å²	83	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	91.6	173.4	-172.4	178.8	15.1	0	0	106.5	L552 I573	L552-Q576 WeakPolarHBondContact O-CA 3.25Å; I573-Q576 HydrophobicContact CG2-CB 4.37Å
577	K	77.1	Confident	69.1	Low	83 Å²	83	80.8 Å²	80.8	36%	0.361	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146.8	170.8	-76.1	-64.5	-160	69.9	0	109.4	D436 H551 L552 Y575	D436-K577 VanDerWaalsContact OD1-CD 3.29Å; D436-K577 WeakPolarHBondContact OD1-CD 3.37Å; D436-K577 WeakPolarHBondContact OD1-CE 3.36Å; D436-K577 WeakPolarHBondContact OD1-CG 3.25Å; D436-K577 IonicContact OD1-NZ 3.91Å; D436-K577 PolarHBondContact OD1-NZ 2.96Å; D436-K577 IonicContact OD2-NZ 2.72Å; D436-K577 PolarHBondContact OD2-NZ 2.81Å; H551-K577 CarbonylContact C-O 3.48Å; H551-K577 WeakPolarHBondContact CA-O 3.14Å; L552-K577 PolarHBondContact N-O 2.77Å; L552-K577 PolarHBondContact O-N 2.93Å; Y575-K577 HydrophobicContact CD1-CB 4.48Å; Y575-K577 HydrophobicContact CD1-CG 4.42Å; Y575-K577 HydrophobicContact CD2-CG 4.41Å; Y575-K577 HydrophobicContact CE1-CB 3.57Å; Y575-K577 HydrophobicContact CE1-CG 3.63Å; Y575-K577 HydrophobicContact CE2-CG 3.68Å; Y575-K577 VanDerWaalsContact OH-CG 3.31Å; Y575-K577 WeakPolarHBondContact OH-CG 3.25Å
578	I	82.7	Confident	71.5	Confident	78 Å²	78	75.6 Å²	75.6	40%	0.4	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.5	-173.9	-50.6	172.1	0	0	0	107	C550 H551	C550-I578 VanDerWaalsContact O-CA 3.32Å; C550-I578 WeakPolarHBondContact O-CA 3.48Å; H551-I578 HydrophobicContact CB-CG1 4.42Å; H551-I578 WeakPolarHBondContact ND1-CD1 3.18Å
579	A	85.5	Confident	74.2	Confident	16 Å²	16	73.5 Å²	73.5	13%	0.132	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	144.6	161.9	0	0	0	0	0	107.8	P437 L439 S549 C550	P437-A579 HydrophobicContact CB-CB 3.98Å; P437-A579 HydrophobicContact CG-CB 3.73Å; P437-A579 WeakPolarHBondContact O-CB 3.31Å; L439-A579 HydrophobicContact CB-CB 3.78Å; L439-A579 HydrophobicContact CD2-CB 4.32Å; S549-A579 CarbonylContact C-O 3.52Å; S549-A579 WeakPolarHBondContact CA-O 3.47Å; C550-A579 PolarHBondContact N-O 2.77Å; C550-A579 PolarHBondContact O-N 2.76Å
580	Y	89.3	Confident	76.4	Confident	111 Å²	111	72.7 Å²	72.7	44%	0.435	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.5	170.5	66.2	-95.5	0	0	0	110.8	R547 V548 L582	R547-Y580 VanDerWaalsContact CG-CB 3.42Å; R547-Y580 HydrophobicContact CG-CD2 3.76Å; R547-Y580 HydrophobicContact CG-CG 3.65Å; V548-Y580 CarbonylContact O-C 3.42Å; V548-Y580 WeakPolarHBondContact O-CA 3.46Å; V548-Y580 WeakPolarHBondContact O-CB 3.29Å; Y580-L582 HydrophobicContact CD2-CD2 4.01Å; Y580-L582 HydrophobicContact CD2-CG 4.29Å; Y580-L582 HydrophobicContact CE2-CD2 4.04Å; Y580-L582 HydrophobicContact CE2-CG 4.15Å
581	L	88.7	Confident	78.6	Confident	27 Å²	27	69.3 Å²	69.3	14%	0.141	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.9	164.1	-78.6	175.6	0	0	0	108.7	L439 F455 V548	L439-L581 HydrophobicContact CD2-CB 4.23Å; L439-L581 HydrophobicContact CD2-CG 4.08Å; L439-L581 HydrophobicContact CG-CB 4.48Å; L439-L581 HydrophobicContact CG-CD1 3.92Å; L439-L581 HydrophobicContact CG-CG 3.89Å; F455-L581 HydrophobicContact CD1-CB 4.31Å; F455-L581 HydrophobicContact CD1-CD1 4.08Å; F455-L581 HydrophobicContact CE1-CB 3.9Å; F455-L581 HydrophobicContact CE1-CD1 4.16Å; V548-L581 PolarHBondContact N-O 2.81Å; V548-L581 PolarHBondContact O-N 3Å
582	L	87.5	Confident	80.6	Confident	83 Å²	83	61.8 Å²	61.8	44%	0.435	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140.4	169.9	-60.2	-179.8	0	0	0	109.2	A546 R547 Y580	A546-L582 WeakPolarHBondContact O-CA 3.28Å; R547-L582 HydrophobicContact CB-CD2 4.26Å; R547-L582 HydrophobicContact CG-CD2 4.43Å; Y580-L582 HydrophobicContact CD2-CD2 4.01Å; Y580-L582 HydrophobicContact CD2-CG 4.29Å; Y580-L582 HydrophobicContact CE2-CD2 4.04Å; Y580-L582 HydrophobicContact CE2-CG 4.15Å
583	T	88.2	Confident	82.4	Confident	8 Å²	8	59.9 Å²	59.9	5%	0.049	31%	0.308	C	S	.	.			trans	-86.7	141.9	170.8	42	0	0	0	0	110.2	F455 L537 F543 G545 A546 V548	F455-T583 HydrophobicContact CZ-CG2 3.85Å; L537-T583 HydrophobicContact CD2-CG2 3.52Å; F543-T583 WeakPolarHBondContact O-CB 3.46Å; F543-T583 PolarHBondContact O-OG1 2.89Å; G545-T583 VanDerWaalsContact CA-O 3.29Å; G545-T583 WeakPolarHBondContact CA-O 3.44Å; G545-T583 PolarHBondContact N-O 3.11Å; A546-T583 WeakPolarHBondContact CB-OG1 3.37Å; A546-T583 PolarHBondContact N-OG1 2.78Å; A546-T583 VanDerWaalsContact N-OG1 3.17Å; A546-T583 PolarHBondContact O-N 3.38Å; A546-T583 PolarHBondContact O-OG1 2.83Å; V548-T583 HydrophobicContact CG2-CG2 4.26Å
584	E	88.6	Confident	84.1	Confident	85 Å²	85	57.3 Å²	57.3	40%	0.397	30%	0.295	S	S	.	.			trans	-125.1	120.7	179.4	-171	175.7	-142	0	0	107.9	P446 V447 N544 H619	P446-E584 WeakPolarHBondContact CA-O 3.48Å; P446-E584 HydrophobicContact CB-CB 4.02Å; P446-E584 HydrophobicContact CB-CG 3.89Å; V447-E584 PolarHBondContact N-O 2.75Å; N544-E584 WeakPolarHBondContact OD1-CA 3.25Å; E584-H619 WeakPolarHBondContact CG-NE2 3.43Å; E584-H619 IonicContact OE1-CE1 2.87Å; E584-H619 PolarHBondContact OE1-CE1 3Å; E584-H619 VanDerWaalsContact OE1-CE1 3.23Å; E584-H619 IonicContact OE1-NE2 3.86Å; E584-H619 PolarHBondContact OE1-NE2 3.07Å
585	V	89.8	Confident	85.7	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	29%	0.288	C	S	.	.			trans	-134.3	117.8	-168.3	-178.2	0	0	0	0	111.3	V447 E449 N544 F587 H619	V447-V585 VanDerWaalsContact O-CA 3.25Å; V447-V585 WeakPolarHBondContact O-CA 3.22Å; V447-V585 WeakPolarHBondContact O-CG1 3.15Å; E449-V585 HydrophobicContact CB-CG1 4.44Å; N544-V585 HydrophobicContact CB-CB 4.06Å; N544-V585 PolarHBondContact OD1-N 2.85Å; V585-F587 VanDerWaalsContact O-CD1 3.31Å; V585-F587 WeakPolarHBondContact O-CD1 3.49Å; V585-H619 PolarHBondContact O-CD2 2.81Å; V585-H619 VanDerWaalsContact O-CD2 3.25Å
586	F	90.9	Very high	86.8	Confident	47 Å²	47	53.5 Å²	53.5	21%	0.206	29%	0.288	C	S	.	.			trans	-75.8	137.2	-175.2	-67.3	-0.8	0	0	0	113	P446 H619	P446-F586 HydrophobicContact CB-CD1 4.03Å; P446-F586 HydrophobicContact CB-CE1 3.42Å; P446-F586 VanDerWaalsContact CB-CE1 3.42Å; P446-F586 HydrophobicContact CB-CZ 3.79Å; P446-F586 HydrophobicContact CG-CE1 3.73Å; P446-F586 HydrophobicContact CG-CE2 4.44Å; P446-F586 HydrophobicContact CG-CZ 3.57Å; F586-H619 CarbonylContact C-O 3.47Å; F586-H619 WeakPolarHBondContact CA-O 3.46Å; F586-H619 AromaticContact CD1-CD2 3.53Å; F586-H619 AromaticContact CD1-NE2 3.59Å; F586-H619 AromaticContact CE1-NE2 3.7Å
587	F	89.3	Confident	87.2	Confident	22 Å²	22	52.4 Å²	52.4	10%	0.096	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-158.3	152.6	176.8	62.2	-98	0	0	0	112.9	P541 N544 V585 H619 H700	P541-F587 HydrophobicContact CB-CD1 4.06Å; P541-F587 HydrophobicContact CB-CE1 4.45Å; P541-F587 HydrophobicContact CB-CG 4.39Å; P541-F587 HydrophobicContact CG-CB 4.43Å; N544-F587 HydrophobicContact CB-CE1 3.97Å; V585-F587 VanDerWaalsContact O-CD1 3.31Å; V585-F587 WeakPolarHBondContact O-CD1 3.49Å; F587-H619 HydrophobicContact CD1-CB 4.11Å; F587-H619 HydrophobicContact CE1-CB 3.84Å; F587-H619 HydrophobicContact CE2-CB 4.47Å; F587-H619 HydrophobicContact CZ-CB 4.05Å; F587-H619 PolarHBondContact N-O 2.83Å; F587-H619 PolarHBondContact O-N 2.82Å; F587-H619 VanDerWaalsContact O-O 3.1Å; F587-H700 PolarHBondContact O-NE2 2.77Å
588	C	90	Very high	87	Confident	59 Å²	59	51.1 Å²	51.1	40%	0.399	28%	0.284	S	S	.	.			trans	-94	164.9	-172.7	75	0	0	0	0	115.2	H700 E702	C588-H700 VanDerWaalsContact CA-CE1 3.41Å; C588-H700 WeakPolarHBondContact CA-CE1 3.32Å; C588-H700 WeakPolarHBondContact CB-ND1 3.34Å; C588-E702 HydrophobicContact CB-CB 4.21Å
589	P	89.9	Confident	86.4	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.052	30%	0.299	C	S	.	.			trans	-79.4	169.1	176.6	32.3	-32.2	0	0	0	113	T616 S617 A622 H700 W703	P589-T616 WeakPolarHBondContact CB-OG1 3.37Å; P589-S617 WeakPolarHBondContact CA-O 3.48Å; P589-A622 HydrophobicContact CG-CB 4.05Å; P589-H700 HydrophobicContact CG-CB 4.39Å; P589-W703 HydrophobicContact CG-CH2 3.77Å; P589-W703 HydrophobicContact CG-CZ2 3.64Å; P589-W703 HydrophobicContact CG-CZ3 4.38Å; P589-W703 WeakPolarHBondContact O-CZ2 3.45Å
590	S	86.1	Confident	85.5	Confident	111 Å²	111	60.7 Å²	60.7	78%	0.776	33%	0.329	S	S	*	.			trans	-122.6	-19.8	-176.9	56.9	0	0	0	0	116.7	T616	S590-T616 PolarHBondContact N-OG1 2.87Å; S590-T616 PolarHBondContact OG-OG1 2.99Å
591	A	85.8	Confident	84.7	Confident	55 Å²	55	55.9 Å²	55.9	46%	0.455	31%	0.313	S	S	.	.			trans	-157.1	161.1	178.2	0	0	0	0	0	115.4	A615 T616	A591-A615 WeakPolarHBondContact O-CA 3.33Å; A591-T616 HydrophobicContact CB-CG2 3.78Å; A591-T616 PolarHBondContact N-OG1 3.18Å; A591-T616 PolarHBondContact O-N 2.87Å; A591-T616 PolarHBondContact O-OG1 2.74Å
592	I	88.9	Confident	84.1	Confident	25 Å²	25	54.7 Å²	54.7	13%	0.128	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.1	-175.2	-62.3	157.7	0	0	0	112.7	T614 A615 V698 W703 I707	I592-T614 CarbonylContact C-O 3.51Å; I592-T614 VanDerWaalsContact CA-O 3.23Å; I592-T614 WeakPolarHBondContact CA-O 3.38Å; I592-A615 HydrophobicContact CG1-CB 4.17Å; I592-V698 HydrophobicContact CD1-CB 3.66Å; I592-V698 HydrophobicContact CD1-CG1 3.99Å; I592-V698 HydrophobicContact CD1-CG2 3.81Å; I592-V698 HydrophobicContact CG1-CB 4.33Å; I592-V698 HydrophobicContact CG1-CG1 4.38Å; I592-V698 HydrophobicContact CG1-CG2 4.09Å; I592-V698 HydrophobicContact CG2-CG2 3.84Å; I592-W703 HydrophobicContact CD1-CH2 4.48Å; I592-I707 HydrophobicContact CD1-CB 3.7Å; I592-I707 HydrophobicContact CD1-CD1 4.04Å; I592-I707 HydrophobicContact CD1-CG1 4.39Å; I592-I707 HydrophobicContact CD1-CG2 3.89Å
593	N	88.5	Confident	83.2	Confident	83 Å²	83	52.1 Å²	52.1	44%	0.444	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	167.9	-176.8	-169.3	27.6	0	0	0	114	C613 T614	N593-C613 CarbonylContact O-C 3.59Å; N593-C613 VanDerWaalsContact O-CA 3.31Å; N593-C613 WeakPolarHBondContact O-CA 3.5Å; N593-C613 PolarHBondContact O-SG 2.95Å; N593-T614 PolarHBondContact N-O 2.73Å; N593-T614 PolarHBondContact O-N 3.01Å
594	L	91.7	Very high	82.5	Confident	28 Å²	28	52.8 Å²	52.8	15%	0.147	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	136.7	177.1	174.1	65.4	0	0	0	113.2	E612 C613 W626 R709 T710 H711	L594-E612 CarbonylContact C-O 3.58Å; L594-E612 VanDerWaalsContact CA-O 3.31Å; L594-E612 WeakPolarHBondContact CA-O 3.43Å; L594-C613 HydrophobicContact CD1-CB 3.94Å; L594-W626 HydrophobicContact CD1-CH2 3.47Å; L594-W626 VanDerWaalsContact CD1-CH2 3.47Å; L594-W626 HydrophobicContact CD1-CZ3 3.91Å; L594-R709 HydrophobicContact CB-CB 3.76Å; L594-R709 HydrophobicContact CB-CG 4.24Å; L594-R709 HydrophobicContact CD2-CB 3.74Å; L594-R709 HydrophobicContact CG-CB 4.4Å; L594-T710 VanDerWaalsContact CD2-C 3.47Å; L594-T710 WeakPolarHBondContact CD2-O 3.01Å; L594-H711 HydrophobicContact CD2-CB 4.32Å
595	I	88.6	Confident	81.5	Confident	77 Å²	77	52.1 Å²	52.1	40%	0.395	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	178.2	177.1	65.4	174.9	0	0	0	112.9	I597 L611 E612	I595-I597 HydrophobicContact CD1-CD1 4.35Å; I595-L611 CarbonylContact O-C 3.45Å; I595-L611 WeakPolarHBondContact O-CA 3.43Å; I595-E612 HydrophobicContact CD1-CB 4.32Å; I595-E612 HydrophobicContact CG1-CB 3.75Å; I595-E612 HydrophobicContact CG1-CG 4.49Å; I595-E612 PolarHBondContact N-O 2.78Å; I595-E612 PolarHBondContact O-N 2.91Å
596	A	84.1	Confident	80.3	Confident	11 Å²	11	60.6 Å²	60.6	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.8	179.9	0	0	0	0	0	114.4	Q599 I610 L611 H711	A596-Q599 WeakPolarHBondContact O-CG 3.37Å; A596-I610 CarbonylContact C-O 3.53Å; A596-I610 WeakPolarHBondContact CA-O 3.3Å; A596-L611 HydrophobicContact CB-CD2 3.64Å; A596-H711 WeakPolarHBondContact CB-CE1 3.41Å; A596-H711 WeakPolarHBondContact CB-NE2 3.46Å
597	I	79.6	Confident	79.2	Confident	81 Å²	81	58.9 Å²	58.9	42%	0.415	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	124.2	-169.5	-49.3	174.5	0	0	0	111	I595 Q609 I610	I595-I597 HydrophobicContact CD1-CD1 4.35Å; I597-Q609 CarbonylContact O-C 3.55Å; I597-Q609 VanDerWaalsContact O-CA 3.31Å; I597-Q609 WeakPolarHBondContact O-CA 3.35Å; I597-Q609 WeakPolarHBondContact O-CG 3.21Å; I597-I610 PolarHBondContact N-O 3.13Å; I597-I610 PolarHBondContact O-N 2.9Å
598	P	72.8	Confident	78.7	Confident	56 Å²	56	62.1 Å²	62.1	36%	0.364	34%	0.342	S	S	.	.	S	Bend	cis	-72	157	-10	33.4	-35.8	0	0	0	110.9	N600 G601 E608 Q609	P598-N600 VanDerWaalsContact C-N 3.28Å; P598-N600 PolarHBondContact O-N 3.2Å; P598-G601 WeakPolarHBondContact CG-O 3.16Å; P598-E608 WeakPolarHBondContact CD-O 3.43Å; P598-Q609 PolarHBondContact O-NE2 3.2Å
599	Q	70.2	Confident	78.3	Confident	153 Å²	153	59.5 Å²	59.5	72%	0.715	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-15.2	177.9	-66	176.4	-17.6	0	0	113	A596 M714	A596-Q599 WeakPolarHBondContact O-CG 3.37Å; Q599-M714 VanDerWaalsContact O-CE 3.27Å; Q599-M714 WeakPolarHBondContact O-CE 3.37Å
600	N	66.9	Low	78.1	Confident	142 Å²	142	61.6 Å²	61.6	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	8.6	-167.5	-62.3	-1.1	0	0	0	114.9	P598	P598-N600 VanDerWaalsContact C-N 3.28Å; P598-N600 PolarHBondContact O-N 3.2Å
601	G	72	Confident	78.3	Confident	10 Å²	10	56.3 Å²	56.3	10%	0.103	30%	0.297	C	S	.	.			trans	89.6	-176.4	-176.6	0	0	0	0	0	114.8	P598 M714	P598-G601 WeakPolarHBondContact CG-O 3.16Å; G601-M714 WeakPolarHBondContact CA-O 3.33Å
602	I	77.5	Confident	78.5	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.3	-150	-59.6	164.7	0	0	0	111.6	E604 G607 Q609 I685 L713 M714 V715 L716	I602-E604 PolarHBondContact O-N 3.2Å; I602-G607 WeakPolarHBondContact CG2-O 3.27Å; I602-Q609 HydrophobicContact CD1-CB 3.2Å; I602-Q609 HydrophobicContact CD1-CG 4.23Å; I602-Q609 HydrophobicContact CG1-CB 3.52Å; I602-I685 HydrophobicContact CD1-CD1 3.38Å; I602-I685 HydrophobicContact CG2-CD1 4.04Å; I602-L713 HydrophobicContact CD1-CD1 3.23Å; I602-L713 HydrophobicContact CD1-CG 4.5Å; I602-M714 VanDerWaalsContact CB-O 3.29Å; I602-M714 WeakPolarHBondContact CB-O 3.31Å; I602-M714 WeakPolarHBondContact CG1-O 3.24Å; I602-M714 PolarHBondContact N-O 2.84Å; I602-V715 CarbonylContact O-C 3.47Å; I602-V715 WeakPolarHBondContact O-CA 3.15Å; I602-L716 PolarHBondContact O-N 3.18Å
603	Q	67.5	Low	78.7	Confident	28 Å²	28	53.3 Å²	53.3	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.2	172.7	-170	163.8	-31	0	0	111.8	G607 T841	Q603-G607 WeakPolarHBondContact O-CA 3.14Å; Q603-G607 PolarHBondContact O-N 3.08Å; Q603-T841 PolarHBondContact OE1-OG1 2.8Å
604	E	74.5	Confident	78.9	Confident	23 Å²	23	49.9 Å²	49.9	11%	0.107	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	139	177	-177.4	166.4	-129.3	0	0	110	I602 Y606 I685 R687 V715 L716	I602-E604 PolarHBondContact O-N 3.2Å; E604-Y606 PolarHBondContact O-N 2.95Å; E604-I685 WeakPolarHBondContact CA-O 3.42Å; E604-R687 VanDerWaalsContact OE1-CB 3.31Å; E604-R687 WeakPolarHBondContact OE1-CB 3.36Å; E604-R687 WeakPolarHBondContact OE1-CG 3.29Å; E604-R687 IonicContact OE1-CZ 3.88Å; E604-R687 PolarHBondContact OE1-N 2.7Å; E604-R687 IonicContact OE1-NE 3.48Å; E604-R687 PolarHBondContact OE1-NE 3.38Å; E604-R687 IonicContact OE1-NH2 2.7Å; E604-R687 IonicContact OE2-CZ 3.46Å; E604-R687 IonicContact OE2-NE 2.89Å; E604-R687 PolarHBondContact OE2-NE 3.11Å; E604-R687 IonicContact OE2-NH2 3.38Å; E604-R687 PolarHBondContact OE2-NH2 3.09Å; E604-V715 HydrophobicContact CB-CG1 3.76Å; E604-V715 HydrophobicContact CG-CG1 4.41Å; E604-L716 WeakPolarHBondContact CB-O 3.2Å; E604-L716 PolarHBondContact N-O 3.02Å
605	T	66.2	Low	78.9	Confident	70 Å²	70	48.6 Å²	48.6	43%	0.429	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-37.4	-174.2	54.4	0	0	0	0	117.2	N684 I685	T605-N684 WeakPolarHBondContact O-CA 3.03Å; T605-I685 PolarHBondContact N-O 2.7Å; T605-I685 VanDerWaalsContact N-O 3.08Å
606	Y	65.8	Low	78.8	Confident	180 Å²	180	46.7 Å²	46.7	71%	0.706	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-22.7	-171.7	-60.3	-76.4	0	0	0	115.3	E604	E604-Y606 PolarHBondContact O-N 2.95Å
607	G	68.1	Low	79.1	Confident	12 Å²	12	47 Å²	47	12%	0.124	24%	0.242	C	C	.	.			trans	-84.3	162.6	-176.5	0	0	0	0	0	112.7	I602 Q603	I602-G607 WeakPolarHBondContact CG2-O 3.27Å; Q603-G607 WeakPolarHBondContact O-CA 3.14Å; Q603-G607 PolarHBondContact O-N 3.08Å
608	E	77.7	Confident	79.6	Confident	90 Å²	90	43.2 Å²	43.2	42%	0.421	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.6	-174.3	-45.4	-173	150.9	0	0	110.9	P598 K681 L682	P598-E608 WeakPolarHBondContact CD-O 3.43Å; E608-K681 WeakPolarHBondContact OE1-CE 3.44Å; E608-K681 IonicContact OE1-NZ 3.04Å; E608-K681 PolarHBondContact OE1-NZ 3.13Å; E608-K681 WeakPolarHBondContact OE2-CE 3.23Å; E608-K681 IonicContact OE2-NZ 3.91Å; E608-K681 PolarHBondContact OE2-NZ 3.25Å; E608-L682 VanDerWaalsContact CA-O 3.25Å; E608-L682 WeakPolarHBondContact CA-O 3.37Å
609	Q	81.9	Confident	80.3	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.9	163.3	178.9	-179.4	68.6	0	0	109.4	I597 P598 I602 L611 K681 L682 L713	I597-Q609 CarbonylContact O-C 3.55Å; I597-Q609 VanDerWaalsContact O-CA 3.31Å; I597-Q609 WeakPolarHBondContact O-CA 3.35Å; I597-Q609 WeakPolarHBondContact O-CG 3.21Å; P598-Q609 PolarHBondContact O-NE2 3.2Å; I602-Q609 HydrophobicContact CD1-CB 3.2Å; I602-Q609 HydrophobicContact CD1-CG 4.23Å; I602-Q609 HydrophobicContact CG1-CB 3.52Å; Q609-L611 HydrophobicContact CG-CD2 4.03Å; Q609-K681 CarbonylContact O-C 3.53Å; Q609-K681 WeakPolarHBondContact O-CA 3.34Å; Q609-L682 HydrophobicContact CB-CD1 4.4Å; Q609-L682 PolarHBondContact N-O 3.1Å; Q609-L682 PolarHBondContact O-N 2.95Å; Q609-L713 VanDerWaalsContact OE1-CD1 3.25Å
610	I	86.4	Confident	81.1	Confident	51 Å²	51	35.5 Å²	35.5	26%	0.262	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.3	-173.1	-59.1	177.9	0	0	0	107.6	A596 I597 R679 L680 K681	A596-I610 CarbonylContact C-O 3.53Å; A596-I610 WeakPolarHBondContact CA-O 3.3Å; I597-I610 PolarHBondContact N-O 3.13Å; I597-I610 PolarHBondContact O-N 2.9Å; I610-R679 HydrophobicContact CG2-CB 3.51Å; I610-R679 HydrophobicContact CG2-CG 3.52Å; I610-L680 WeakPolarHBondContact CA-O 3.26Å; I610-K681 HydrophobicContact CG1-CB 4.3Å
611	L	88.7	Confident	82.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.9	173.4	-44.1	-170.9	0	0	0	108	I595 A596 Q609 W626 R679 L680 L682 F694 H711	I595-L611 CarbonylContact O-C 3.45Å; I595-L611 WeakPolarHBondContact O-CA 3.43Å; A596-L611 HydrophobicContact CB-CD2 3.64Å; Q609-L611 HydrophobicContact CG-CD2 4.03Å; L611-W626 HydrophobicContact CB-CH2 3.64Å; L611-W626 HydrophobicContact CB-CZ3 3.94Å; L611-W626 HydrophobicContact CD1-CZ3 4.43Å; L611-W626 WeakPolarHBondContact O-CH2 3.49Å; L611-W626 WeakPolarHBondContact O-CZ2 3.47Å; L611-R679 CarbonylContact O-C 3.38Å; L611-R679 VanDerWaalsContact O-CA 3.25Å; L611-R679 WeakPolarHBondContact O-CA 3.22Å; L611-L680 HydrophobicContact CB-CB 4.23Å; L611-L680 HydrophobicContact CD1-CD2 4.28Å; L611-L680 PolarHBondContact N-O 2.95Å; L611-L680 PolarHBondContact O-N 3.16Å; L611-L682 HydrophobicContact CD1-CD1 4.25Å; L611-L682 HydrophobicContact CD2-CD1 4.17Å; L611-L682 HydrophobicContact CG-CD1 4.12Å; L611-F694 HydrophobicContact CD1-CB 3.58Å; L611-F694 HydrophobicContact CD1-CD2 3.72Å; L611-F694 HydrophobicContact CD1-CG 3.8Å; L611-H711 HydrophobicContact CD1-CB 4.32Å; L611-H711 WeakPolarHBondContact CD2-CD2 3.43Å
612	E	91.2	Very high	83	Confident	17 Å²	17	30.7 Å²	30.7	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.3	-173.1	-176.6	-178.1	130.1	0	0	111.4	L594 I595 T614 R675 V677 S678 R679	L594-E612 CarbonylContact C-O 3.58Å; L594-E612 VanDerWaalsContact CA-O 3.31Å; L594-E612 WeakPolarHBondContact CA-O 3.43Å; I595-E612 HydrophobicContact CD1-CB 4.32Å; I595-E612 HydrophobicContact CG1-CB 3.75Å; I595-E612 HydrophobicContact CG1-CG 4.49Å; I595-E612 PolarHBondContact N-O 2.78Å; I595-E612 PolarHBondContact O-N 2.91Å; E612-T614 HydrophobicContact CG-CG2 3.78Å; E612-T614 WeakPolarHBondContact OE1-CG2 3.36Å; E612-R675 IonicContact OE1-NH2 3.24Å; E612-V677 HydrophobicContact CG-CG1 3.4Å; E612-V677 WeakPolarHBondContact OE1-CG1 3.24Å; E612-S678 CarbonylContact C-O 3.02Å; E612-S678 WeakPolarHBondContact CA-O 3.33Å; E612-R679 HydrophobicContact CB-CG 3.99Å; E612-R679 HydrophobicContact CG-CG 3.9Å; E612-R679 IonicContact OE2-CZ 3.95Å; E612-R679 IonicContact OE2-NE 3.23Å; E612-R679 PolarHBondContact OE2-NE 2.67Å; E612-R679 IonicContact OE2-NH2 3.42Å; E612-R679 PolarHBondContact OE2-NH2 2.87Å
613	C	93.4	Very high	83.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.9	174.6	-169.2	0	0	0	0	110.8	N593 L594 I624 W626 V677 S678 C696	N593-C613 CarbonylContact O-C 3.59Å; N593-C613 VanDerWaalsContact O-CA 3.31Å; N593-C613 WeakPolarHBondContact O-CA 3.5Å; N593-C613 PolarHBondContact O-SG 2.95Å; L594-C613 HydrophobicContact CD1-CB 3.94Å; C613-I624 HydrophobicContact CB-CG2 4.46Å; C613-W626 HydrophobicContact CB-CH2 3.79Å; C613-W626 HydrophobicContact CB-CZ2 3.54Å; C613-V677 CarbonylContact O-C 3.16Å; C613-V677 WeakPolarHBondContact O-CA 3.2Å; C613-S678 PolarHBondContact N-O 2.9Å; C613-S678 PolarHBondContact O-N 2.58Å; C613-C696 HydrophobicContact CB-CB 3.63Å; C613-C696 WeakPolarHBondContact CB-SG 3.3Å; C613-C696 WeakPolarHBondContact SG-CB 3.18Å; C613-C696 CovalentContact SG-SG 2.02Å; C613-C696 PolarHBondContact SG-SG 2.85Å
614	T	91.5	Very high	84.7	Confident	11 Å²	11	34.6 Å²	34.6	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.4	-165.3	87.7	0	0	0	0	113.2	I592 N593 E612 R675 V676 V677	I592-T614 CarbonylContact C-O 3.51Å; I592-T614 VanDerWaalsContact CA-O 3.23Å; I592-T614 WeakPolarHBondContact CA-O 3.38Å; N593-T614 PolarHBondContact N-O 2.73Å; N593-T614 PolarHBondContact O-N 3.01Å; E612-T614 HydrophobicContact CG-CG2 3.78Å; E612-T614 WeakPolarHBondContact OE1-CG2 3.36Å; T614-R675 PolarHBondContact OG1-NH1 2.69Å; T614-V676 CarbonylContact C-O 3.57Å; T614-V676 WeakPolarHBondContact CA-O 3.31Å; T614-V677 HydrophobicContact CG2-CG1 4.2Å; T614-V677 HydrophobicContact CG2-CG2 4.04Å
615	A	91.5	Very high	85.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151	170	0	0	0	0	0	111.5	A591 I592 A622 I624 R675 V676 V698	A591-A615 WeakPolarHBondContact O-CA 3.33Å; I592-A615 HydrophobicContact CG1-CB 4.17Å; A615-A622 HydrophobicContact CB-CB 4.48Å; A615-I624 HydrophobicContact CB-CD1 4.41Å; A615-R675 WeakPolarHBondContact O-CA 3.42Å; A615-R675 WeakPolarHBondContact O-CB 3.32Å; A615-R675 VanDerWaalsContact O-CG 3.27Å; A615-R675 WeakPolarHBondContact O-CG 2.88Å; A615-V676 PolarHBondContact N-O 3.42Å; A615-V676 PolarHBondContact O-N 3.3Å; A615-V698 HydrophobicContact CB-CG1 4.14Å
616	T	88.5	Confident	86.5	Confident	38 Å²	38	31.9 Å²	31.9	23%	0.233	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	175.4	176.4	48.9	0	0	0	0	114	P589 S590 A591 S618	P589-T616 WeakPolarHBondContact CB-OG1 3.37Å; S590-T616 PolarHBondContact N-OG1 2.87Å; S590-T616 PolarHBondContact OG-OG1 2.99Å; A591-T616 HydrophobicContact CB-CG2 3.78Å; A591-T616 PolarHBondContact N-OG1 3.18Å; A591-T616 PolarHBondContact O-N 2.87Å; A591-T616 PolarHBondContact O-OG1 2.74Å; T616-S618 PolarHBondContact O-N 2.71Å
617	S	88.9	Confident	87.4	Confident	18 Å²	18	24.4 Å²	24.4	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	131	176.2	-157.4	0	0	0	0	112.5	P589 G669 I670 G673	P589-S617 WeakPolarHBondContact CA-O 3.48Å; S617-G669 WeakPolarHBondContact OG-CA 3.44Å; S617-I670 PolarHBondContact OG-N 3.19Å; S617-I670 PolarHBondContact OG-O 2.8Å; S617-G673 VanDerWaalsContact OG-CA 3.27Å; S617-G673 WeakPolarHBondContact OG-CA 3.43Å
618	S	90.3	Very high	88.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.7	176.2	45.6	0	0	0	0	110.2	T616 P620 A622 K674	T616-S618 PolarHBondContact O-N 2.71Å; S618-P620 CarbonylContact C-O 3.44Å; S618-P620 VanDerWaalsContact C-O 3.29Å; S618-P620 WeakPolarHBondContact CB-O 3.46Å; S618-A622 PolarHBondContact OG-N 3.19Å; S618-K674 PolarHBondContact N-O 3.26Å; S618-K674 WeakPolarHBondContact O-CB 3.38Å; S618-K674 PolarHBondContact O-N 2.82Å; S618-K674 PolarHBondContact OG-O 2.97Å; S618-K674 VanDerWaalsContact OG-O 3.09Å
619	H	87.9	Confident	88.2	Confident	14 Å²	14	26.1 Å²	26.1	7%	0.065	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-140.6	112.8	175.7	-175.3	71.1	0	0	0	109.5	E584 V585 F586 F587	E584-H619 WeakPolarHBondContact CG-NE2 3.43Å; E584-H619 IonicContact OE1-CE1 2.87Å; E584-H619 PolarHBondContact OE1-CE1 3Å; E584-H619 VanDerWaalsContact OE1-CE1 3.23Å; E584-H619 IonicContact OE1-NE2 3.86Å; E584-H619 PolarHBondContact OE1-NE2 3.07Å; V585-H619 PolarHBondContact O-CD2 2.81Å; V585-H619 VanDerWaalsContact O-CD2 3.25Å; F586-H619 CarbonylContact C-O 3.47Å; F586-H619 WeakPolarHBondContact CA-O 3.46Å; F586-H619 AromaticContact CD1-CD2 3.53Å; F586-H619 AromaticContact CD1-NE2 3.59Å; F586-H619 AromaticContact CE1-NE2 3.7Å; F587-H619 HydrophobicContact CD1-CB 4.11Å; F587-H619 HydrophobicContact CE1-CB 3.84Å; F587-H619 HydrophobicContact CE2-CB 4.47Å; F587-H619 HydrophobicContact CZ-CB 4.05Å; F587-H619 PolarHBondContact N-O 2.83Å; F587-H619 PolarHBondContact O-N 2.82Å; F587-H619 VanDerWaalsContact O-O 3.1Å
620	P	87.6	Confident	87.4	Confident	34 Å²	34	29.1 Å²	29.1	22%	0.221	16%	0.158	C	C	.	.	S	Bend	cis	-62.3	164.9	-2.7	27.8	-36.3	0	0	0	114.1	S618 H700 I701	S618-P620 CarbonylContact C-O 3.44Å; S618-P620 VanDerWaalsContact C-O 3.29Å; S618-P620 WeakPolarHBondContact CB-O 3.46Å; P620-H700 PolarHBondContact O-CD2 3.27Å; P620-H700 VanDerWaalsContact O-CD2 3.28Å; P620-H700 PolarHBondContact O-NE2 2.77Å; P620-I701 HydrophobicContact CG-CB 4.28Å; P620-I701 HydrophobicContact CG-CG2 3.48Å; P620-I701 VanDerWaalsContact CG-CG2 3.48Å
621	P	88.4	Confident	86.1	Confident	49 Å²	49	30.5 Å²	30.5	32%	0.318	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-60.6	135.7	179.2	21.6	-32.3	0	0	0	113.5	T666 K674 V676	P621-T666 HydrophobicContact CB-CG2 4.17Å; P621-K674 HydrophobicContact CB-CB 3.85Å; P621-K674 HydrophobicContact CB-CD 4.23Å; P621-K674 HydrophobicContact CG-CD 4.02Å; P621-V676 HydrophobicContact CB-CG2 3.45Å; P621-V676 VanDerWaalsContact CB-CG2 3.45Å
622	A	89.4	Confident	84.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.008	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.9	132.7	173.3	0	0	0	0	0	113.4	P589 A615 S618 V676 V698 K699 H700	P589-A622 HydrophobicContact CG-CB 4.05Å; A615-A622 HydrophobicContact CB-CB 4.48Å; S618-A622 PolarHBondContact OG-N 3.19Å; A622-V676 VanDerWaalsContact O-CB 3.28Å; A622-V676 WeakPolarHBondContact O-CB 3.43Å; A622-V676 WeakPolarHBondContact O-CG1 3.15Å; A622-V676 WeakPolarHBondContact O-CG2 3.26Å; A622-V698 HydrophobicContact CB-CG1 4.04Å; A622-K699 CarbonylContact C-O 3.39Å; A622-K699 VanDerWaalsContact CA-O 3.29Å; A622-K699 WeakPolarHBondContact CA-O 3.43Å; A622-K699 WeakPolarHBondContact CB-O 3.44Å; A622-H700 HydrophobicContact CB-CB 4.44Å
623	V	89.9	Confident	81.7	Confident	93 Å²	93	39.6 Å²	39.6	56%	0.564	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.8	-176.8	-179.1	0	0	0	0	110.6	V698 K699	V623-V698 CarbonylContact O-C 2.78Å; V623-V698 VanDerWaalsContact O-CA 3.25Å; V623-V698 WeakPolarHBondContact O-CA 3.39Å; V623-K699 PolarHBondContact N-O 3.13Å; V623-K699 PolarHBondContact O-N 3.2Å
624	I	91.1	Very high	78.8	Confident	20 Å²	20	44.6 Å²	44.6	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.6	177.5	-53.6	-172.2	0	0	0	110.5	C613 A615 V676 C696 M697 V698	C613-I624 HydrophobicContact CB-CG2 4.46Å; A615-I624 HydrophobicContact CB-CD1 4.41Å; I624-V676 HydrophobicContact CD1-CB 4.15Å; I624-V676 HydrophobicContact CD1-CG1 3.83Å; I624-V676 HydrophobicContact CG1-CB 4.41Å; I624-V676 HydrophobicContact CG1-CG1 3.89Å; I624-C696 WeakPolarHBondContact CG2-SG 3.19Å; I624-M697 CarbonylContact C-O 3.59Å; I624-M697 WeakPolarHBondContact CA-O 3.25Å; I624-V698 HydrophobicContact CD1-CG2 4.37Å; I624-V698 HydrophobicContact CG1-CG1 4.21Å; I624-V698 HydrophobicContact CG1-CG2 4.02Å; I624-V698 HydrophobicContact CG2-CG2 4.4Å
625	T	89	Confident	75.8	Confident	35 Å²	35	49.7 Å²	49.7	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.4	-178	52.7	0	0	0	0	111.4	C696 M697	T625-C696 CarbonylContact O-C 3.56Å; T625-C696 WeakPolarHBondContact O-CA 3.49Å; T625-M697 PolarHBondContact N-O 3.25Å; T625-M697 PolarHBondContact O-N 3.23Å; T625-M697 PolarHBondContact OG1-O 2.06Å; T625-M697 VanDerWaalsContact OG1-O 3.11Å
626	W	88.9	Confident	72.9	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.1	-176.3	-66.4	86.6	0	0	0	114.3	L594 L611 C613 I652 I662 S678 L680 T695 C696	L594-W626 HydrophobicContact CD1-CH2 3.47Å; L594-W626 VanDerWaalsContact CD1-CH2 3.47Å; L594-W626 HydrophobicContact CD1-CZ3 3.91Å; L611-W626 HydrophobicContact CB-CH2 3.64Å; L611-W626 HydrophobicContact CB-CZ3 3.94Å; L611-W626 HydrophobicContact CD1-CZ3 4.43Å; L611-W626 WeakPolarHBondContact O-CH2 3.49Å; L611-W626 WeakPolarHBondContact O-CZ2 3.47Å; C613-W626 HydrophobicContact CB-CH2 3.79Å; C613-W626 HydrophobicContact CB-CZ2 3.54Å; W626-I652 HydrophobicContact CB-CB 4.46Å; W626-I652 HydrophobicContact CB-CD1 3.86Å; W626-I652 HydrophobicContact CB-CG1 4.34Å; W626-I652 PolarHBondContact O-N 2.95Å; W626-I662 HydrophobicContact CB-CD1 4.01Å; W626-I662 HydrophobicContact CB-CG1 4.48Å; W626-I662 HydrophobicContact CG-CD1 4.29Å; W626-I662 HydrophobicContact CG-CG1 4.39Å; W626-S678 PolarHBondContact NE1-OG 2.86Å; W626-L680 HydrophobicContact CD2-CB 3.83Å; W626-L680 HydrophobicContact CD2-CD2 4.3Å; W626-L680 HydrophobicContact CE3-CB 4Å; W626-L680 HydrophobicContact CE3-CD2 3.96Å; W626-L680 HydrophobicContact CG-CB 4.37Å; W626-L680 HydrophobicContact CH2-CB 4.09Å; W626-L680 HydrophobicContact CZ2-CB 3.92Å; W626-L680 HydrophobicContact CZ3-CB 4.14Å; W626-L680 HydrophobicContact CZ3-CD2 4.42Å; W626-T695 CarbonylContact C-O 3.58Å; W626-T695 WeakPolarHBondContact CA-O 3.48Å; W626-T695 VanDerWaalsContact CE3-O 3.3Å; W626-C696 HydrophobicContact CD2-CB 4.22Å; W626-C696 HydrophobicContact CE3-CB 4Å; W626-C696 HydrophobicContact CH2-CB 4.24Å; W626-C696 HydrophobicContact CZ2-CB 4.43Å; W626-C696 HydrophobicContact CZ3-CB 4.01Å
627	F	85.3	Confident	70.2	Confident	23 Å²	23	65.6 Å²	65.6	10%	0.101	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.8	-179.7	-55.1	-94.9	0	0	0	111	L649 T650 K651 F694 T695 M697	F627-L649 HydrophobicContact CB-CB 4.13Å; F627-L649 HydrophobicContact CB-CD2 4.38Å; F627-L649 HydrophobicContact CD1-CB 3.47Å; F627-L649 VanDerWaalsContact CD1-CB 3.47Å; F627-L649 HydrophobicContact CD1-CD1 4.16Å; F627-L649 HydrophobicContact CD1-CG 4.41Å; F627-L649 HydrophobicContact CD2-CD1 4.3Å; F627-L649 HydrophobicContact CE1-CB 4.06Å; F627-L649 HydrophobicContact CE1-CD1 4.41Å; F627-L649 HydrophobicContact CG-CB 3.96Å; F627-L649 HydrophobicContact CG-CD1 4.09Å; F627-T650 CarbonylContact C-O 3.56Å; F627-T650 WeakPolarHBondContact CA-O 3.45Å; F627-K651 VanDerWaalsContact CD1-CA 3.41Å; F627-K651 HydrophobicContact CD1-CB 3.8Å; F627-K651 HydrophobicContact CD1-CG 4.3Å; F627-K651 HydrophobicContact CE1-CB 3.77Å; F627-K651 HydrophobicContact CE1-CG 4.07Å; F627-F694 WeakPolarHBondContact O-CA 3.06Å; F627-T695 PolarHBondContact N-O 2.82Å; F627-T695 PolarHBondContact O-N 2.83Å; F627-M697 HydrophobicContact CE2-CB 3.85Å; F627-M697 HydrophobicContact CE2-CE 3.97Å; F627-M697 HydrophobicContact CE2-SD 4.18Å; F627-M697 HydrophobicContact CZ-CE 3.84Å; F627-M697 HydrophobicContact CZ-SD 4.35Å
628	R	84	Confident	67.3	Low	61 Å²	61	70.5 Å²	70.5	23%	0.23	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.3	-177.9	-170.1	-176.1	81.2	177.7	10.6	112	T650 I652 M692 L693 F694	R628-T650 PolarHBondContact N-O 3Å; R628-T650 PolarHBondContact O-OG1 3.35Å; R628-I652 HydrophobicContact CB-CD1 4.09Å; R628-I652 HydrophobicContact CB-CG1 3.94Å; R628-M692 HydrophobicContact CG-CE 3.8Å; R628-L693 WeakPolarHBondContact CA-O 3.4Å; R628-L693 WeakPolarHBondContact CG-O 3.44Å; R628-F694 HydrophobicContact CB-CD1 4.11Å; R628-F694 HydrophobicContact CB-CE1 4.18Å; R628-F694 HydrophobicContact CG-CD1 3.8Å; R628-F694 HydrophobicContact CG-CE1 3.51Å; R628-F694 HydrophobicContact CG-CZ 4.24Å
629	H	77.9	Confident	64.5	Low	76 Å²	76	81.3 Å²	81.3	35%	0.352	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.5	173.8	-174	66.3	0	0	0	111.4	L693	H629-L693 HydrophobicContact CB-CB 4.39Å; H629-L693 PolarHBondContact N-O 2.65Å; H629-L693 PolarHBondContact O-N 3.01Å
630	N	66.6	Low	61.6	Low	68 Å²	68	87.1 Å²	87.1	36%	0.364	47%	0.471	S	S	.	.			trans	-95.2	137.6	179	-69.9	20.6	0	0	0	109.8	S632 M692	N630-S632 PolarHBondContact O-N 2.77Å; N630-M692 HydrophobicContact CB-SD 4.37Å; N630-M692 VanDerWaalsContact OD1-CE 3.31Å; N630-M692 WeakPolarHBondContact OD1-CE 3.22Å
631	S	58.1	Low	59.1	Low	80 Å²	80	93.8 Å²	93.8	56%	0.559	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	7.1	179.4	-168.7	0	0	0	0	114.8
632	S	49.1	Very low	56.5	Low	86 Å²	86	98.1 Å²	98.1	60%	0.601	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-18.2	-175.6	53.7	0	0	0	0	114.6	N630 S634	N630-S632 PolarHBondContact O-N 2.77Å; S632-S634 PolarHBondContact O-N 2.88Å
633	D	38.9	Very low	53.9	Low	121 Å²	121	105.1 Å²	105.1	65%	0.647	56%	0.562	S	S	*	*			trans	-86.1	88.6	179.5	-71.6	-18.2	0	0	0	110.6
634	S	31.7	Very low	51.2	Low	106 Å²	106	107.3 Å²	107.3	74%	0.741	57%	0.569	S	S	*	*			trans	-76	161.8	178.4	65	0	0	0	0	114.3	S632	S632-S634 PolarHBondContact O-N 2.88Å
635	V	29.5	Very low	49	Very low	118 Å²	118	111.3 Å²	111.3	72%	0.715	59%	0.589	S	S	*	*			trans	99.8	100.8	162.6	-172.5	0	0	0	0	118.2
636	Q	30.1	Very low	47	Very low	173 Å²	173	118.6 Å²	118.6	81%	0.808	62%	0.621	S	S	*	*			trans	37.2	114.7	136.6	-54.4	174.4	-7.1	0	0	120.4
637	K	30.9	Very low	44.9	Very low	200 Å²	200	123.7 Å²	123.7	87%	0.87	66%	0.657	S	S	*	*				-168.2	134.4	118.6	-107.8	157.2	-172.8	170.6	0	116.3
638	T	28.4	Very low	43.2	Very low	121 Å²	121	126.5 Å²	126.5	74%	0.742	68%	0.679	S	S	*	*			trans	17.2	132.6	148.6	50.7	0	0	0	0	122	T640	T638-T640 PolarHBondContact O-N 3Å
639	Y	30.8	Very low	41.8	Very low	227 Å²	227	126 Å²	126	89%	0.89	68%	0.681	S	S	*	*			trans	-35.3	124.5	157.3	-67.6	-98.5	0	0	0	115
640	T	28.6	Very low	41	Very low	135 Å²	135	126.1 Å²	126.1	83%	0.828	69%	0.687	S	S	*	*			trans	-147.6	129.6	135.5	16.7	0	0	0	0	106.7	T638	T638-T640 PolarHBondContact O-N 3Å
641	E	34.2	Very low	41.2	Very low	174 Å²	174	129.5 Å²	129.5	81%	0.813	70%	0.699	S	S	*	*			trans	-80.3	137.5	177.2	-68	-179.8	125.6	0	0	110.2
642	N	33.6	Very low	41.9	Very low	140 Å²	140	126 Å²	126	75%	0.749	67%	0.674	S	S	*	*	S	Bend	trans	74.7	159	174	-48.9	-40.6	0	0	0	117.4	I644	N642-I644 PolarHBondContact O-N 2.77Å
643	V	35.5	Very low	42.5	Very low	148 Å²	148	125.6 Å²	125.6	90%	0.897	67%	0.665	S	S	*	*	S	Bend	trans	81.6	-23.6	169	-169.6	0	0	0	0	119.4
644	I	32.8	Very low	43.3	Very low	139 Å²	139	123.2 Å²	123.2	71%	0.713	66%	0.655	S	S	*	*			trans	-130	80.1	179.7	-43.9	-179.7	0	0	0	114.3	N642	N642-I644 PolarHBondContact O-N 2.77Å
645	I	45.4	Very low	44.5	Very low	104 Å²	104	126.3 Å²	126.3	53%	0.533	66%	0.655	S	S	.	*			trans	-140.4	18.1	166.9	-24.7	178.6	0	0	0	114.3	L649	I645-L649 HydrophobicContact CG2-CD1 3.97Å; I645-L649 HydrophobicContact CG2-CD2 4.36Å; I645-L649 HydrophobicContact CG2-CG 4.03Å; I645-L649 WeakPolarHBondContact O-CD1 3.42Å; I645-L649 VanDerWaalsContact O-CG 3.31Å; I645-L649 WeakPolarHBondContact O-CG 3.33Å
646	E	45.8	Very low	45.6	Very low	188 Å²	188	129.7 Å²	129.7	88%	0.879	66%	0.656	S	S	*	*	S	Bend	trans	-87.8	-20.7	175.7	-70.1	-161.5	128.1	0	0	114.1
647	S	45.8	Very low	47.1	Very low	110 Å²	110	123.7 Å²	123.7	77%	0.769	63%	0.628	S	S	*	*	S	Bend	trans	-88.3	-8.6	-168.9	56.2	0	0	0	0	116.1
648	S	49.1	Very low	48.5	Very low	81 Å²	81	119.7 Å²	119.7	57%	0.566	62%	0.623	S	S	*	*	S	Bend	trans	-127.9	-2.1	-175.9	56	0	0	0	0	114.6
649	L	54.2	Low	50.1	Low	51 Å²	51	116.3 Å²	116.3	27%	0.267	60%	0.6	S	S	.	*			trans	-90.8	109.6	179.9	-66.5	-178	0	0	0	111.5	F627 I645 K651	F627-L649 HydrophobicContact CB-CB 4.13Å; F627-L649 HydrophobicContact CB-CD2 4.38Å; F627-L649 HydrophobicContact CD1-CB 3.47Å; F627-L649 VanDerWaalsContact CD1-CB 3.47Å; F627-L649 HydrophobicContact CD1-CD1 4.16Å; F627-L649 HydrophobicContact CD1-CG 4.41Å; F627-L649 HydrophobicContact CD2-CD1 4.3Å; F627-L649 HydrophobicContact CE1-CB 4.06Å; F627-L649 HydrophobicContact CE1-CD1 4.41Å; F627-L649 HydrophobicContact CG-CB 3.96Å; F627-L649 HydrophobicContact CG-CD1 4.09Å; I645-L649 HydrophobicContact CG2-CD1 3.97Å; I645-L649 HydrophobicContact CG2-CD2 4.36Å; I645-L649 HydrophobicContact CG2-CG 4.03Å; I645-L649 WeakPolarHBondContact O-CD1 3.42Å; I645-L649 VanDerWaalsContact O-CG 3.31Å; I645-L649 WeakPolarHBondContact O-CG 3.33Å; L649-K651 PolarHBondContact O-N 2.84Å; L649-K651 VanDerWaalsContact O-N 3.08Å
650	T	61.9	Low	51.8	Low	79 Å²	79	106.2 Å²	106.2	49%	0.485	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.6	107.6	167.5	66.1	0	0	0	0	109.6	F627 R628 I652	F627-T650 CarbonylContact C-O 3.56Å; F627-T650 WeakPolarHBondContact CA-O 3.45Å; R628-T650 PolarHBondContact N-O 3Å; R628-T650 PolarHBondContact O-OG1 3.35Å; T650-I652 PolarHBondContact O-N 3.09Å
651	K	71.1	Confident	53.8	Low	138 Å²	138	105.4 Å²	105.4	60%	0.6	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	134	172.5	-172.1	179.5	178.8	-177.9	0	108.9	F627 L649 D653	F627-K651 VanDerWaalsContact CD1-CA 3.41Å; F627-K651 HydrophobicContact CD1-CB 3.8Å; F627-K651 HydrophobicContact CD1-CG 4.3Å; F627-K651 HydrophobicContact CE1-CB 3.77Å; F627-K651 HydrophobicContact CE1-CG 4.07Å; L649-K651 PolarHBondContact O-N 2.84Å; L649-K651 VanDerWaalsContact O-N 3.08Å; K651-D653 PolarHBondContact O-N 2.85Å
652	I	72.2	Confident	56	Low	8 Å²	8	99.5 Å²	99.5	4%	0.041	52%	0.52	C	S	.	.			trans	-76.5	92	179.4	-55.8	179.1	0	0	0	108.3	W626 R628 T650 T654 L660 I662 L680 F694	W626-I652 HydrophobicContact CB-CB 4.46Å; W626-I652 HydrophobicContact CB-CD1 3.86Å; W626-I652 HydrophobicContact CB-CG1 4.34Å; W626-I652 PolarHBondContact O-N 2.95Å; R628-I652 HydrophobicContact CB-CD1 4.09Å; R628-I652 HydrophobicContact CB-CG1 3.94Å; T650-I652 PolarHBondContact O-N 3.09Å; I652-T654 PolarHBondContact O-N 2.81Å; I652-L660 HydrophobicContact CD1-CD2 4.46Å; I652-L660 HydrophobicContact CG2-CB 4.31Å; I652-I662 HydrophobicContact CB-CD1 4.24Å; I652-I662 HydrophobicContact CG2-CD1 4.27Å; I652-L680 HydrophobicContact CD1-CD1 3.9Å; I652-L680 HydrophobicContact CD1-CD2 3.57Å; I652-L680 HydrophobicContact CD1-CG 4.43Å; I652-L680 HydrophobicContact CG2-CD1 4.43Å; I652-F694 HydrophobicContact CD1-CD1 3.88Å; I652-F694 HydrophobicContact CD1-CE1 4.27Å
653	D	61.4	Low	58.1	Low	77 Å²	77	95 Å²	95	41%	0.412	50%	0.498	S	S	.	.			trans	-79.9	108	165.2	-167.3	-23.4	0	0	0	109.3	K651 K655 Y656	K651-D653 PolarHBondContact O-N 2.85Å; D653-K655 PolarHBondContact O-N 2.81Å; D653-K655 VanDerWaalsContact O-N 3.12Å; D653-K655 VanDerWaalsContact OD1-CB 3.3Å; D653-K655 WeakPolarHBondContact OD1-CB 3.18Å; D653-K655 WeakPolarHBondContact OD1-CG 3.42Å; D653-K655 PolarHBondContact OD1-N 3.07Å; D653-Y656 PolarHBondContact O-N 3.39Å
654	T	57.1	Low	60.2	Low	71 Å²	71	91.4 Å²	91.4	44%	0.436	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.6	-179.1	52.4	0	0	0	0	113.5	I652 Y656 I662	I652-T654 PolarHBondContact O-N 2.81Å; T654-Y656 VanDerWaalsContact C-N 3.28Å; T654-Y656 PolarHBondContact O-N 2.86Å; T654-I662 HydrophobicContact CG2-CB 4.13Å; T654-I662 HydrophobicContact CG2-CD1 3.94Å; T654-I662 HydrophobicContact CG2-CG1 3.92Å
655	K	55.5	Low	62.5	Low	171 Å²	171	88.2 Å²	88.2	74%	0.743	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.5	174.1	-71.7	-177.3	173.6	-176.6	0	113.9	D653	D653-K655 PolarHBondContact O-N 2.81Å; D653-K655 VanDerWaalsContact O-N 3.12Å; D653-K655 VanDerWaalsContact OD1-CB 3.3Å; D653-K655 WeakPolarHBondContact OD1-CB 3.18Å; D653-K655 WeakPolarHBondContact OD1-CG 3.42Å; D653-K655 PolarHBondContact OD1-N 3.07Å
656	Y	53.9	Low	64.3	Low	189 Å²	189	86.5 Å²	86.5	74%	0.741	46%	0.46	S	S	*	.	S	Bend	trans	-117.2	3.3	-170.3	-65.7	-79.5	0	0	0	114.3	D653 T654	D653-Y656 PolarHBondContact O-N 3.39Å; T654-Y656 VanDerWaalsContact C-N 3.28Å; T654-Y656 PolarHBondContact O-N 2.86Å
657	Q	60.8	Low	66	Low	46 Å²	46	81.1 Å²	81.1	22%	0.215	43%	0.434	C	S	.	.			trans	-136.7	80.7	-174.4	-59.2	-173	10.5	0	0	110.3	N659 L660	Q657-N659 PolarHBondContact O-N 2.82Å; Q657-N659 VanDerWaalsContact O-N 3.08Å; Q657-L660 HydrophobicContact CB-CB 4.04Å; Q657-L660 HydrophobicContact CB-CD1 4.22Å; Q657-L660 PolarHBondContact O-N 3.07Å
658	P	59.5	Low	67.6	Low	117 Å²	117	81.3 Å²	81.3	76%	0.76	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	-173.6	25.4	-35.3	0	0	0	113.8	L660	P658-L660 PolarHBondContact O-N 3.28Å
659	N	62.3	Low	68.9	Low	50 Å²	50	78.8 Å²	78.8	27%	0.267	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.9	176.6	-66.3	11.1	0	0	0	113.5	Q657 S683 N684	Q657-N659 PolarHBondContact O-N 2.82Å; Q657-N659 VanDerWaalsContact O-N 3.08Å; N659-S683 CarbonylContact C-O 3.58Å; N659-S683 WeakPolarHBondContact CA-O 3.25Å; N659-S683 WeakPolarHBondContact CB-O 3.45Å; N659-S683 PolarHBondContact O-N 2.96Å; N659-S683 VanDerWaalsContact O-O 3.1Å; N659-N684 PolarHBondContact ND2-O 3.43Å; N659-N684 PolarHBondContact OD1-ND2 3.27Å
660	L	67.3	Low	70.1	Confident	14 Å²	14	81.7 Å²	81.7	7%	0.073	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	99.1	-170.6	-86.3	155	0	0	0	110.6	I652 Q657 P658 L680 L682 F694	I652-L660 HydrophobicContact CD1-CD2 4.46Å; I652-L660 HydrophobicContact CG2-CB 4.31Å; Q657-L660 HydrophobicContact CB-CB 4.04Å; Q657-L660 HydrophobicContact CB-CD1 4.22Å; Q657-L660 PolarHBondContact O-N 3.07Å; P658-L660 PolarHBondContact O-N 3.28Å; L660-L680 HydrophobicContact CD2-CD1 3.81Å; L660-L680 HydrophobicContact CD2-CD2 4.01Å; L660-L680 HydrophobicContact CD2-CG 4.05Å; L660-L682 HydrophobicContact CD2-CD2 3.31Å; L660-L682 HydrophobicContact CG-CD2 4.42Å; L660-F694 HydrophobicContact CD1-CE1 4.31Å; L660-F694 HydrophobicContact CD2-CD1 4.39Å; L660-F694 HydrophobicContact CD2-CE1 3.52Å; L660-F694 HydrophobicContact CD2-CZ 4.01Å
661	K	71.4	Confident	71	Confident	119 Å²	119	82.3 Å²	82.3	52%	0.517	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.4	-179.4	-178.8	171	-177.3	170.2	0	110.9	T663 K681	K661-T663 HydrophobicContact CG-CG2 4.43Å; K661-T663 PolarHBondContact O-N 2.83Å; K661-K681 HydrophobicContact CB-CB 4.31Å; K661-K681 HydrophobicContact CB-CG 4.5Å; K661-K681 PolarHBondContact N-O 3.42Å; K661-K681 WeakPolarHBondContact O-CA 3.45Å; K661-K681 WeakPolarHBondContact O-CB 3.48Å; K661-K681 PolarHBondContact O-N 3.15Å
662	I	78.8	Confident	71.1	Confident	49 Å²	49	77.9 Å²	77.9	25%	0.251	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124.1	166.1	-59.5	166.8	0	0	0	108.3	W626 I652 T654 S678 L680	W626-I662 HydrophobicContact CB-CD1 4.01Å; W626-I662 HydrophobicContact CB-CG1 4.48Å; W626-I662 HydrophobicContact CG-CD1 4.29Å; W626-I662 HydrophobicContact CG-CG1 4.39Å; I652-I662 HydrophobicContact CB-CD1 4.24Å; I652-I662 HydrophobicContact CG2-CD1 4.27Å; T654-I662 HydrophobicContact CG2-CB 4.13Å; T654-I662 HydrophobicContact CG2-CD1 3.94Å; T654-I662 HydrophobicContact CG2-CG1 3.92Å; I662-S678 WeakPolarHBondContact CG2-OG 3.22Å; I662-L680 HydrophobicContact CD1-CD1 4.49Å; I662-L680 HydrophobicContact CG1-CD1 3.5Å
663	T	78.1	Confident	71.7	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.288	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	155.7	155.3	60.3	0	0	0	0	110.1	K661 S678 R679	K661-T663 HydrophobicContact CG-CG2 4.43Å; K661-T663 PolarHBondContact O-N 2.83Å; T663-S678 CarbonylContact O-C 3.45Å; T663-S678 VanDerWaalsContact O-CA 3.31Å; T663-S678 WeakPolarHBondContact O-CA 3.2Å; T663-S678 PolarHBondContact O-OG 3.19Å; T663-R679 PolarHBondContact N-O 2.77Å; T663-R679 PolarHBondContact O-N 2.84Å; T663-R679 VanDerWaalsContact OG1-CB 3.29Å; T663-R679 WeakPolarHBondContact OG1-CB 3.06Å; T663-R679 PolarHBondContact OG1-O 2.63Å
664	A	79.8	Confident	72.8	Confident	72 Å²	72	78 Å²	78	60%	0.595	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	99.4	175.2	0	0	0	0	0	108.2
665	E	80.7	Confident	74.2	Confident	71 Å²	71	78.5 Å²	78.5	33%	0.332	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	155.1	173.1	-77.2	168.5	-121.9	0	0	110.2	F667 V677 R679	E665-F667 HydrophobicContact CB-CD2 4.44Å; E665-F667 HydrophobicContact CB-CE2 3.82Å; E665-F667 HydrophobicContact CB-CZ 4.45Å; E665-F667 WeakPolarHBondContact OE2-CZ 3.49Å; E665-V677 WeakPolarHBondContact CA-O 3.28Å; E665-V677 HydrophobicContact CB-CB 4.47Å; E665-V677 PolarHBondContact N-O 3.44Å; E665-V677 PolarHBondContact O-N 3.1Å; E665-R679 WeakPolarHBondContact OE1-CD 3.32Å; E665-R679 IonicContact OE1-CZ 3.55Å; E665-R679 IonicContact OE1-NE 3.2Å; E665-R679 IonicContact OE1-NH1 3.53Å; E665-R679 PolarHBondContact OE1-NH1 3.16Å; E665-R679 IonicContact OE2-CZ 2.68Å; E665-R679 IonicContact OE2-NH1 3.97Å; E665-R679 PolarHBondContact OE2-NH1 2.77Å
666	T	82.7	Confident	75.9	Confident	68 Å²	68	70.6 Å²	70.6	42%	0.417	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	97.7	-174.9	-64.8	0	0	0	0	108	P621 K674 R675 V676	P621-T666 HydrophobicContact CB-CG2 4.17Å; T666-K674 HydrophobicContact CG2-CB 3.5Å; T666-K674 HydrophobicContact CG2-CD 3.74Å; T666-K674 HydrophobicContact CG2-CG 3.63Å; T666-R675 CarbonylContact C-O 3.55Å; T666-R675 WeakPolarHBondContact CA-O 3.21Å; T666-V676 HydrophobicContact CG2-CG2 4.14Å
667	F	81.5	Confident	77.6	Confident	76 Å²	76	61.6 Å²	61.6	33%	0.333	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	150.9	-177.9	-67.8	-93.8	0	0	0	110.5	E665 K674 R675 V677	E665-F667 HydrophobicContact CB-CD2 4.44Å; E665-F667 HydrophobicContact CB-CE2 3.82Å; E665-F667 HydrophobicContact CB-CZ 4.45Å; E665-F667 WeakPolarHBondContact OE2-CZ 3.49Å; F667-K674 CarbonylContact O-C 3.55Å; F667-K674 WeakPolarHBondContact O-CA 3.43Å; F667-R675 HydrophobicContact CB-CB 4.35Å; F667-R675 HydrophobicContact CB-CG 4.14Å; F667-R675 PolarHBondContact N-O 2.87Å; F667-R675 PolarHBondContact O-N 2.94Å; F667-V677 HydrophobicContact CD2-CB 3.76Å; F667-V677 HydrophobicContact CD2-CG1 4.45Å; F667-V677 HydrophobicContact CD2-CG2 3.44Å; F667-V677 VanDerWaalsContact CD2-CG2 3.44Å; F667-V677 HydrophobicContact CE2-CB 3.61Å; F667-V677 HydrophobicContact CE2-CG1 3.84Å; F667-V677 HydrophobicContact CE2-CG2 3.67Å
668	P	79.8	Confident	79.1	Confident	114 Å²	114	59.4 Å²	59.4	74%	0.74	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	138.9	164.3	28.7	-34.4	0	0	0	109.8
669	G	76.4	Confident	80.5	Confident	28 Å²	28	56.5 Å²	56.5	29%	0.289	31%	0.307	S	S	.	.			trans	-122.7	-165.7	173.4	0	0	0	0	0	111.6	S617 G673	S617-G669 WeakPolarHBondContact OG-CA 3.44Å; G669-G673 PolarHBondContact N-O 2.9Å
670	I	79.1	Confident	81.7	Confident	112 Å²	112	54.1 Å²	54.1	57%	0.574	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-60.9	141	178.7	-39.1	-178.4	0	0	0	109.7	S617 G672 G673	S617-I670 PolarHBondContact OG-N 3.19Å; S617-I670 PolarHBondContact OG-O 2.8Å; I670-G672 PolarHBondContact O-N 2.82Å; I670-G673 PolarHBondContact O-N 2.89Å
671	Y	80.7	Confident	82.6	Confident	91 Å²	91	55.7 Å²	55.7	36%	0.357	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	53.3	41.7	179	-41.5	-59.3	0	0	0	115.3	M477 P541 W542 N544 G673	M477-Y671 HydrophobicContact SD-CD1 3.89Å; M477-Y671 HydrophobicContact SD-CE1 3.74Å; P541-Y671 HydrophobicContact CB-CD2 4.11Å; P541-Y671 WeakPolarHBondContact O-CB 3.18Å; W542-Y671 HydrophobicContact CB-CD1 3.96Å; W542-Y671 HydrophobicContact CB-CE1 3.95Å; N544-Y671 WeakPolarHBondContact CB-O 3.35Å; N544-Y671 PolarHBondContact ND2-O 2.77Å; Y671-G673 PolarHBondContact O-N 2.79Å
672	G	73.8	Confident	83.1	Confident	45 Å²	45	50.1 Å²	50.1	46%	0.464	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	68	0.1	178.2	0	0	0	0	0	114.9	I670	I670-G672 PolarHBondContact O-N 2.82Å
673	G	84.1	Confident	82.9	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	27%	0.27	C	S	.	.			trans	-67.8	176.4	168.9	0	0	0	0	0	111.9	S617 G669 I670 Y671	S617-G673 VanDerWaalsContact OG-CA 3.27Å; S617-G673 WeakPolarHBondContact OG-CA 3.43Å; G669-G673 PolarHBondContact N-O 2.9Å; I670-G673 PolarHBondContact O-N 2.89Å; Y671-G673 PolarHBondContact O-N 2.79Å
674	K	85.3	Confident	82.6	Confident	86 Å²	86	50.3 Å²	50.3	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.3	-167.3	-80.5	171.5	172.7	174.2	0	110.2	S618 P621 T666 F667	S618-K674 PolarHBondContact N-O 3.26Å; S618-K674 WeakPolarHBondContact O-CB 3.38Å; S618-K674 PolarHBondContact O-N 2.82Å; S618-K674 PolarHBondContact OG-O 2.97Å; S618-K674 VanDerWaalsContact OG-O 3.09Å; P621-K674 HydrophobicContact CB-CB 3.85Å; P621-K674 HydrophobicContact CB-CD 4.23Å; P621-K674 HydrophobicContact CG-CD 4.02Å; T666-K674 HydrophobicContact CG2-CB 3.5Å; T666-K674 HydrophobicContact CG2-CD 3.74Å; T666-K674 HydrophobicContact CG2-CG 3.63Å; F667-K674 CarbonylContact O-C 3.55Å; F667-K674 WeakPolarHBondContact O-CA 3.43Å
675	R	87.2	Confident	82.3	Confident	82 Å²	82	47.1 Å²	47.1	31%	0.309	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	112.9	169.9	145.5	171.4	168.9	91.7	4.7	107.4	E612 T614 A615 T666 F667 V677	E612-R675 IonicContact OE1-NH2 3.24Å; T614-R675 PolarHBondContact OG1-NH1 2.69Å; A615-R675 WeakPolarHBondContact O-CA 3.42Å; A615-R675 WeakPolarHBondContact O-CB 3.32Å; A615-R675 VanDerWaalsContact O-CG 3.27Å; A615-R675 WeakPolarHBondContact O-CG 2.88Å; T666-R675 CarbonylContact C-O 3.55Å; T666-R675 WeakPolarHBondContact CA-O 3.21Å; F667-R675 HydrophobicContact CB-CB 4.35Å; F667-R675 HydrophobicContact CB-CG 4.14Å; F667-R675 PolarHBondContact N-O 2.87Å; F667-R675 PolarHBondContact O-N 2.94Å; R675-V677 HydrophobicContact CG-CG2 3.89Å
676	V	90.2	Very high	82	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.2	-179.7	-176.3	0	0	0	0	110.2	T614 A615 P621 A622 I624 T666	T614-V676 CarbonylContact C-O 3.57Å; T614-V676 WeakPolarHBondContact CA-O 3.31Å; A615-V676 PolarHBondContact N-O 3.42Å; A615-V676 PolarHBondContact O-N 3.3Å; P621-V676 HydrophobicContact CB-CG2 3.45Å; P621-V676 VanDerWaalsContact CB-CG2 3.45Å; A622-V676 VanDerWaalsContact O-CB 3.28Å; A622-V676 WeakPolarHBondContact O-CB 3.43Å; A622-V676 WeakPolarHBondContact O-CG1 3.15Å; A622-V676 WeakPolarHBondContact O-CG2 3.26Å; I624-V676 HydrophobicContact CD1-CB 4.15Å; I624-V676 HydrophobicContact CD1-CG1 3.83Å; I624-V676 HydrophobicContact CG1-CB 4.41Å; I624-V676 HydrophobicContact CG1-CG1 3.89Å; T666-V676 HydrophobicContact CG2-CG2 4.14Å
677	V	91.1	Very high	81.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	96.5	-172.4	172.2	0	0	0	0	107	E612 C613 T614 E665 F667 R675 R679	E612-V677 HydrophobicContact CG-CG1 3.4Å; E612-V677 WeakPolarHBondContact OE1-CG1 3.24Å; C613-V677 CarbonylContact O-C 3.16Å; C613-V677 WeakPolarHBondContact O-CA 3.2Å; T614-V677 HydrophobicContact CG2-CG1 4.2Å; T614-V677 HydrophobicContact CG2-CG2 4.04Å; E665-V677 WeakPolarHBondContact CA-O 3.28Å; E665-V677 HydrophobicContact CB-CB 4.47Å; E665-V677 PolarHBondContact N-O 3.44Å; E665-V677 PolarHBondContact O-N 3.1Å; F667-V677 HydrophobicContact CD2-CB 3.76Å; F667-V677 HydrophobicContact CD2-CG1 4.45Å; F667-V677 HydrophobicContact CD2-CG2 3.44Å; F667-V677 VanDerWaalsContact CD2-CG2 3.44Å; F667-V677 HydrophobicContact CE2-CB 3.61Å; F667-V677 HydrophobicContact CE2-CG1 3.84Å; F667-V677 HydrophobicContact CE2-CG2 3.67Å; R675-V677 HydrophobicContact CG-CG2 3.89Å; V677-R679 HydrophobicContact CG1-CG 4.45Å
678	S	90.7	Very high	81.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.1	175.5	-170.9	0	0	0	0	110.5	E612 C613 W626 I662 T663	E612-S678 CarbonylContact C-O 3.02Å; E612-S678 WeakPolarHBondContact CA-O 3.33Å; C613-S678 PolarHBondContact N-O 2.9Å; C613-S678 PolarHBondContact O-N 2.58Å; W626-S678 PolarHBondContact NE1-OG 2.86Å; I662-S678 WeakPolarHBondContact CG2-OG 3.22Å; T663-S678 CarbonylContact O-C 3.45Å; T663-S678 VanDerWaalsContact O-CA 3.31Å; T663-S678 WeakPolarHBondContact O-CA 3.2Å; T663-S678 PolarHBondContact O-OG 3.19Å
679	R	90.2	Very high	81.1	Confident	55 Å²	55	50 Å²	50	21%	0.208	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	101.9	-171.7	-85.8	177.8	179.8	156.5	6.7	108	I610 L611 E612 T663 E665 V677 K681	I610-R679 HydrophobicContact CG2-CB 3.51Å; I610-R679 HydrophobicContact CG2-CG 3.52Å; L611-R679 CarbonylContact O-C 3.38Å; L611-R679 VanDerWaalsContact O-CA 3.25Å; L611-R679 WeakPolarHBondContact O-CA 3.22Å; E612-R679 HydrophobicContact CB-CG 3.99Å; E612-R679 HydrophobicContact CG-CG 3.9Å; E612-R679 IonicContact OE2-CZ 3.95Å; E612-R679 IonicContact OE2-NE 3.23Å; E612-R679 PolarHBondContact OE2-NE 2.67Å; E612-R679 IonicContact OE2-NH2 3.42Å; E612-R679 PolarHBondContact OE2-NH2 2.87Å; T663-R679 PolarHBondContact N-O 2.77Å; T663-R679 PolarHBondContact O-N 2.84Å; T663-R679 VanDerWaalsContact OG1-CB 3.29Å; T663-R679 WeakPolarHBondContact OG1-CB 3.06Å; T663-R679 PolarHBondContact OG1-O 2.63Å; E665-R679 WeakPolarHBondContact OE1-CD 3.32Å; E665-R679 IonicContact OE1-CZ 3.55Å; E665-R679 IonicContact OE1-NE 3.2Å; E665-R679 IonicContact OE1-NH1 3.53Å; E665-R679 PolarHBondContact OE1-NH1 3.16Å; E665-R679 IonicContact OE2-CZ 2.68Å; E665-R679 IonicContact OE2-NH1 3.97Å; E665-R679 PolarHBondContact OE2-NH1 2.77Å; V677-R679 HydrophobicContact CG1-CG 4.45Å; R679-K681 PolarHBondContact O-N 2.81Å
680	L	87.6	Confident	81.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	99.3	172.8	-178.4	69.5	0	0	0	108.5	I610 L611 W626 I652 L660 I662 L682 F694	I610-L680 WeakPolarHBondContact CA-O 3.26Å; L611-L680 HydrophobicContact CB-CB 4.23Å; L611-L680 HydrophobicContact CD1-CD2 4.28Å; L611-L680 PolarHBondContact N-O 2.95Å; L611-L680 PolarHBondContact O-N 3.16Å; W626-L680 HydrophobicContact CD2-CB 3.83Å; W626-L680 HydrophobicContact CD2-CD2 4.3Å; W626-L680 HydrophobicContact CE3-CB 4Å; W626-L680 HydrophobicContact CE3-CD2 3.96Å; W626-L680 HydrophobicContact CG-CB 4.37Å; W626-L680 HydrophobicContact CH2-CB 4.09Å; W626-L680 HydrophobicContact CZ2-CB 3.92Å; W626-L680 HydrophobicContact CZ3-CB 4.14Å; W626-L680 HydrophobicContact CZ3-CD2 4.42Å; I652-L680 HydrophobicContact CD1-CD1 3.9Å; I652-L680 HydrophobicContact CD1-CD2 3.57Å; I652-L680 HydrophobicContact CD1-CG 4.43Å; I652-L680 HydrophobicContact CG2-CD1 4.43Å; L660-L680 HydrophobicContact CD2-CD1 3.81Å; L660-L680 HydrophobicContact CD2-CD2 4.01Å; L660-L680 HydrophobicContact CD2-CG 4.05Å; I662-L680 HydrophobicContact CD1-CD1 4.49Å; I662-L680 HydrophobicContact CG1-CD1 3.5Å; L680-L682 HydrophobicContact CD2-CD2 3.91Å; L680-L682 HydrophobicContact CG-CD2 3.83Å; L680-F694 HydrophobicContact CD2-CB 4.06Å; L680-F694 HydrophobicContact CD2-CD1 3.35Å; L680-F694 HydrophobicContact CD2-CE1 3.91Å; L680-F694 HydrophobicContact CD2-CG 3.8Å
681	K	84.9	Confident	81.2	Confident	47 Å²	47	48.6 Å²	48.6	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	124.3	173.1	166.4	172.1	160.2	160.3	0	110	E608 Q609 I610 K661 R679	E608-K681 WeakPolarHBondContact OE1-CE 3.44Å; E608-K681 IonicContact OE1-NZ 3.04Å; E608-K681 PolarHBondContact OE1-NZ 3.13Å; E608-K681 WeakPolarHBondContact OE2-CE 3.23Å; E608-K681 IonicContact OE2-NZ 3.91Å; E608-K681 PolarHBondContact OE2-NZ 3.25Å; Q609-K681 CarbonylContact O-C 3.53Å; Q609-K681 WeakPolarHBondContact O-CA 3.34Å; I610-K681 HydrophobicContact CG1-CB 4.3Å; K661-K681 HydrophobicContact CB-CB 4.31Å; K661-K681 HydrophobicContact CB-CG 4.5Å; K661-K681 PolarHBondContact N-O 3.42Å; K661-K681 WeakPolarHBondContact O-CA 3.45Å; K661-K681 WeakPolarHBondContact O-CB 3.48Å; K661-K681 PolarHBondContact O-N 3.15Å; R679-K681 PolarHBondContact O-N 2.81Å
682	L	83.3	Confident	81.3	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.4	176.3	-44.4	178.9	0	0	0	105.8	E608 Q609 L611 L660 L680 I685 F694 L713	E608-L682 VanDerWaalsContact CA-O 3.25Å; E608-L682 WeakPolarHBondContact CA-O 3.37Å; Q609-L682 HydrophobicContact CB-CD1 4.4Å; Q609-L682 PolarHBondContact N-O 3.1Å; Q609-L682 PolarHBondContact O-N 2.95Å; L611-L682 HydrophobicContact CD1-CD1 4.25Å; L611-L682 HydrophobicContact CD2-CD1 4.17Å; L611-L682 HydrophobicContact CG-CD1 4.12Å; L660-L682 HydrophobicContact CD2-CD2 3.31Å; L660-L682 HydrophobicContact CG-CD2 4.42Å; L680-L682 HydrophobicContact CD2-CD2 3.91Å; L680-L682 HydrophobicContact CG-CD2 3.83Å; L682-I685 HydrophobicContact CB-CD1 3.5Å; L682-I685 VanDerWaalsContact CB-CD1 3.5Å; L682-I685 HydrophobicContact CB-CG1 4.42Å; L682-F694 HydrophobicContact CD1-CD2 4.42Å; L682-F694 HydrophobicContact CD1-CE2 3.95Å; L682-F694 HydrophobicContact CD1-CZ 4.42Å; L682-F694 HydrophobicContact CD2-CE1 4.04Å; L682-F694 HydrophobicContact CD2-CE2 4.02Å; L682-F694 HydrophobicContact CD2-CZ 3.72Å; L682-L713 HydrophobicContact CD1-CD1 3.49Å; L682-L713 VanDerWaalsContact CD1-CD1 3.49Å; L682-L713 HydrophobicContact CD1-CD2 4.26Å; L682-L713 HydrophobicContact CD1-CG 4.43Å
683	S	73.8	Confident	81.9	Confident	17 Å²	17	46.1 Å²	46.1	12%	0.119	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.2	-172.1	50.8	0	0	0	0	111.7	N659 I685	N659-S683 CarbonylContact C-O 3.58Å; N659-S683 WeakPolarHBondContact CA-O 3.25Å; N659-S683 WeakPolarHBondContact CB-O 3.45Å; N659-S683 PolarHBondContact O-N 2.96Å; N659-S683 VanDerWaalsContact O-O 3.1Å; S683-I685 PolarHBondContact O-N 2.67Å
684	N	70.8	Confident	82.2	Confident	82 Å²	82	46.3 Å²	46.3	44%	0.439	23%	0.227	S	C	.	.	S	Bend	trans	52.4	38	-171.8	-174	42.3	0	0	0	112.7	T605 N659	T605-N684 WeakPolarHBondContact O-CA 3.03Å; N659-N684 PolarHBondContact ND2-O 3.43Å; N659-N684 PolarHBondContact OD1-ND2 3.27Å
685	I	73.8	Confident	82.4	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	22%	0.216	C	C	.	.			trans	-79.1	130.7	-175.1	-47.2	-174.5	0	0	0	108.5	I602 E604 T605 L682 S683 S689 L713 V715	I602-I685 HydrophobicContact CD1-CD1 3.38Å; I602-I685 HydrophobicContact CG2-CD1 4.04Å; E604-I685 WeakPolarHBondContact CA-O 3.42Å; T605-I685 PolarHBondContact N-O 2.7Å; T605-I685 VanDerWaalsContact N-O 3.08Å; L682-I685 HydrophobicContact CB-CD1 3.5Å; L682-I685 VanDerWaalsContact CB-CD1 3.5Å; L682-I685 HydrophobicContact CB-CG1 4.42Å; S683-I685 PolarHBondContact O-N 2.67Å; I685-S689 VanDerWaalsContact CG2-CB 3.5Å; I685-L713 HydrophobicContact CD1-CD1 4.03Å; I685-L713 HydrophobicContact CD1-CD2 4.27Å; I685-L713 HydrophobicContact CG2-CD2 4.4Å; I685-V715 HydrophobicContact CG2-CG2 3.92Å
686	S	74.9	Confident	82.6	Confident	40 Å²	40	39.4 Å²	39.4	28%	0.28	20%	0.201	S	C	.	.			trans	-93	159.8	170.5	67.7	0	0	0	0	110.9	I688 S689	S686-I688 PolarHBondContact O-N 3.31Å; S686-I688 PolarHBondContact OG-N 3.47Å; S686-S689 PolarHBondContact O-N 3.41Å
687	R	76.4	Confident	82.7	Confident	167 Å²	167	41.8 Å²	41.8	63%	0.63	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-1.2	168	65.7	-171	69.2	-179.5	-3	117	E604	E604-R687 VanDerWaalsContact OE1-CB 3.31Å; E604-R687 WeakPolarHBondContact OE1-CB 3.36Å; E604-R687 WeakPolarHBondContact OE1-CG 3.29Å; E604-R687 IonicContact OE1-CZ 3.88Å; E604-R687 PolarHBondContact OE1-N 2.7Å; E604-R687 IonicContact OE1-NE 3.48Å; E604-R687 PolarHBondContact OE1-NE 3.38Å; E604-R687 IonicContact OE1-NH2 2.7Å; E604-R687 IonicContact OE2-CZ 3.46Å; E604-R687 IonicContact OE2-NE 2.89Å; E604-R687 PolarHBondContact OE2-NE 3.11Å; E604-R687 IonicContact OE2-NH2 3.38Å; E604-R687 PolarHBondContact OE2-NH2 3.09Å
688	I	72.6	Confident	82.7	Confident	148 Å²	148	41.9 Å²	41.9	76%	0.759	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-21.6	176.2	-53.2	173.8	0	0	0	111.5	S686 D690	S686-I688 PolarHBondContact O-N 3.31Å; S686-I688 PolarHBondContact OG-N 3.47Å; I688-D690 VanDerWaalsContact C-N 3.35Å
689	S	75.7	Confident	82.7	Confident	34 Å²	34	47.8 Å²	47.8	24%	0.238	24%	0.239	C	C	.	.			trans	-90.2	3.3	-172.8	-48.9	0	0	0	0	114.3	I685 S686 G691 M692 L713	I685-S689 VanDerWaalsContact CG2-CB 3.5Å; S686-S689 PolarHBondContact O-N 3.41Å; S689-G691 PolarHBondContact O-N 3.44Å; S689-M692 VanDerWaalsContact O-CG 3.26Å; S689-M692 WeakPolarHBondContact O-CG 3.4Å; S689-L713 WeakPolarHBondContact O-CD2 3.27Å
690	D	79	Confident	82.7	Confident	94 Å²	94	45.5 Å²	45.5	50%	0.503	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	130.8	-179.6	-137.8	58.1	0	0	0	110.1	I688 M714 V715	I688-D690 VanDerWaalsContact C-N 3.35Å; D690-M714 VanDerWaalsContact OD1-CA 3.24Å; D690-M714 WeakPolarHBondContact OD1-CA 3.36Å; D690-V715 PolarHBondContact OD1-N 3.44Å; D690-V715 VanDerWaalsContact OD1-N 3.11Å
691	G	78.7	Confident	82.7	Confident	18 Å²	18	50.8 Å²	50.8	19%	0.186	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	3.8	176.8	0	0	0	0	0	118.8	S689 Q712 L713	S689-G691 PolarHBondContact O-N 3.44Å; G691-Q712 WeakPolarHBondContact O-CG 3.27Å; G691-Q712 PolarHBondContact O-NE2 2.76Å; G691-L713 PolarHBondContact N-O 2.81Å
692	M	83.5	Confident	82.8	Confident	33 Å²	33	53.3 Å²	53.3	16%	0.163	27%	0.271	C	S	.	.			trans	-64.2	151.8	178.1	-72.9	-74.9	-64.9	0	0	115.1	R628 N630 S689 F694 Q712 L713	R628-M692 HydrophobicContact CG-CE 3.8Å; N630-M692 HydrophobicContact CB-SD 4.37Å; N630-M692 VanDerWaalsContact OD1-CE 3.31Å; N630-M692 WeakPolarHBondContact OD1-CE 3.22Å; S689-M692 VanDerWaalsContact O-CG 3.26Å; S689-M692 WeakPolarHBondContact O-CG 3.4Å; M692-F694 HydrophobicContact CB-CE2 4.03Å; M692-F694 HydrophobicContact CB-CZ 4.28Å; M692-Q712 VanDerWaalsContact O-CA 3.29Å; M692-Q712 WeakPolarHBondContact O-CA 3.23Å; M692-L713 HydrophobicContact CB-CB 4.48Å; M692-L713 HydrophobicContact CB-CD2 4.22Å; M692-L713 PolarHBondContact O-N 2.78Å
693	L	87	Confident	82.8	Confident	51 Å²	51	56.2 Å²	56.2	27%	0.267	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146	-177.8	-71	173.8	0	0	0	114.9	R628 H629 H711 Q712	R628-L693 WeakPolarHBondContact CA-O 3.4Å; R628-L693 WeakPolarHBondContact CG-O 3.44Å; H629-L693 HydrophobicContact CB-CB 4.39Å; H629-L693 PolarHBondContact N-O 2.65Å; H629-L693 PolarHBondContact O-N 3.01Å; L693-H711 WeakPolarHBondContact CA-O 3.32Å; L693-H711 WeakPolarHBondContact CD2-O 3.49Å; L693-Q712 HydrophobicContact CD2-CB 3.83Å; L693-Q712 HydrophobicContact CD2-CG 3.9Å
694	F	89.1	Confident	83	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.1	-174.9	-62	-79.5	0	0	0	114.1	L611 F627 R628 I652 L660 L680 L682 M692 T710 H711 L713	L611-F694 HydrophobicContact CD1-CB 3.58Å; L611-F694 HydrophobicContact CD1-CD2 3.72Å; L611-F694 HydrophobicContact CD1-CG 3.8Å; F627-F694 WeakPolarHBondContact O-CA 3.06Å; R628-F694 HydrophobicContact CB-CD1 4.11Å; R628-F694 HydrophobicContact CB-CE1 4.18Å; R628-F694 HydrophobicContact CG-CD1 3.8Å; R628-F694 HydrophobicContact CG-CE1 3.51Å; R628-F694 HydrophobicContact CG-CZ 4.24Å; I652-F694 HydrophobicContact CD1-CD1 3.88Å; I652-F694 HydrophobicContact CD1-CE1 4.27Å; L660-F694 HydrophobicContact CD1-CE1 4.31Å; L660-F694 HydrophobicContact CD2-CD1 4.39Å; L660-F694 HydrophobicContact CD2-CE1 3.52Å; L660-F694 HydrophobicContact CD2-CZ 4.01Å; L680-F694 HydrophobicContact CD2-CB 4.06Å; L680-F694 HydrophobicContact CD2-CD1 3.35Å; L680-F694 HydrophobicContact CD2-CE1 3.91Å; L680-F694 HydrophobicContact CD2-CG 3.8Å; L682-F694 HydrophobicContact CD1-CD2 4.42Å; L682-F694 HydrophobicContact CD1-CE2 3.95Å; L682-F694 HydrophobicContact CD1-CZ 4.42Å; L682-F694 HydrophobicContact CD2-CE1 4.04Å; L682-F694 HydrophobicContact CD2-CE2 4.02Å; L682-F694 HydrophobicContact CD2-CZ 3.72Å; M692-F694 HydrophobicContact CB-CE2 4.03Å; M692-F694 HydrophobicContact CB-CZ 4.28Å; F694-T710 CarbonylContact O-C 3.53Å; F694-T710 WeakPolarHBondContact O-CA 3.43Å; F694-T710 WeakPolarHBondContact O-CG2 3.34Å; F694-H711 PolarHBondContact N-O 2.93Å; F694-H711 PolarHBondContact O-N 2.76Å; F694-L713 HydrophobicContact CE2-CD2 4.19Å
695	T	89.8	Confident	83.5	Confident	22 Å²	22	65.3 Å²	65.3	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.5	-174.6	-65.3	0	0	0	0	112.4	W626 F627 R709 T710	W626-T695 CarbonylContact C-O 3.58Å; W626-T695 WeakPolarHBondContact CA-O 3.48Å; W626-T695 VanDerWaalsContact CE3-O 3.3Å; F627-T695 PolarHBondContact N-O 2.82Å; F627-T695 PolarHBondContact O-N 2.83Å; T695-R709 CarbonylContact C-O 3.45Å; T695-R709 WeakPolarHBondContact CA-O 3.19Å; T695-R709 WeakPolarHBondContact CG2-O 3.37Å; T695-T710 WeakPolarHBondContact OG1-CG2 3.32Å; T695-T710 PolarHBondContact OG1-OG1 2.81Å
696	C	92.5	Very high	84.1	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.3	178.9	168.6	0	0	0	0	111.7	C613 I624 T625 W626 S708 R709	C613-C696 HydrophobicContact CB-CB 3.63Å; C613-C696 WeakPolarHBondContact CB-SG 3.3Å; C613-C696 WeakPolarHBondContact SG-CB 3.18Å; C613-C696 CovalentContact SG-SG 2.02Å; C613-C696 PolarHBondContact SG-SG 2.85Å; I624-C696 WeakPolarHBondContact CG2-SG 3.19Å; T625-C696 CarbonylContact O-C 3.56Å; T625-C696 WeakPolarHBondContact O-CA 3.49Å; W626-C696 HydrophobicContact CD2-CB 4.22Å; W626-C696 HydrophobicContact CE3-CB 4Å; W626-C696 HydrophobicContact CH2-CB 4.24Å; W626-C696 HydrophobicContact CZ2-CB 4.43Å; W626-C696 HydrophobicContact CZ3-CB 4.01Å; C696-S708 CarbonylContact O-C 3.53Å; C696-S708 WeakPolarHBondContact O-CA 3.45Å; C696-S708 WeakPolarHBondContact O-CB 3.19Å; C696-R709 PolarHBondContact N-O 2.64Å; C696-R709 PolarHBondContact O-N 2.95Å
697	M	91	Very high	84.8	Confident	56 Å²	56	70.3 Å²	70.3	28%	0.276	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.4	175.8	-176.4	-179.6	75.3	0	0	113.3	I624 T625 F627 I707	I624-M697 CarbonylContact C-O 3.59Å; I624-M697 WeakPolarHBondContact CA-O 3.25Å; T625-M697 PolarHBondContact N-O 3.25Å; T625-M697 PolarHBondContact O-N 3.23Å; T625-M697 PolarHBondContact OG1-O 2.06Å; T625-M697 VanDerWaalsContact OG1-O 3.11Å; F627-M697 HydrophobicContact CE2-CB 3.85Å; F627-M697 HydrophobicContact CE2-CE 3.97Å; F627-M697 HydrophobicContact CE2-SD 4.18Å; F627-M697 HydrophobicContact CZ-CE 3.84Å; F627-M697 HydrophobicContact CZ-SD 4.35Å; M697-I707 CarbonylContact C-O 3.58Å; M697-I707 VanDerWaalsContact CA-O 3.23Å; M697-I707 WeakPolarHBondContact CA-O 3.45Å
698	V	91.7	Very high	85.4	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.6	-168.3	-170.6	0	0	0	0	114.2	I592 A615 A622 V623 I624 S706 I707	I592-V698 HydrophobicContact CD1-CB 3.66Å; I592-V698 HydrophobicContact CD1-CG1 3.99Å; I592-V698 HydrophobicContact CD1-CG2 3.81Å; I592-V698 HydrophobicContact CG1-CB 4.33Å; I592-V698 HydrophobicContact CG1-CG1 4.38Å; I592-V698 HydrophobicContact CG1-CG2 4.09Å; I592-V698 HydrophobicContact CG2-CG2 3.84Å; A615-V698 HydrophobicContact CB-CG1 4.14Å; A622-V698 HydrophobicContact CB-CG1 4.04Å; V623-V698 CarbonylContact O-C 2.78Å; V623-V698 VanDerWaalsContact O-CA 3.25Å; V623-V698 WeakPolarHBondContact O-CA 3.39Å; I624-V698 HydrophobicContact CD1-CG2 4.37Å; I624-V698 HydrophobicContact CG1-CG1 4.21Å; I624-V698 HydrophobicContact CG1-CG2 4.02Å; I624-V698 HydrophobicContact CG2-CG2 4.4Å; V698-S706 WeakPolarHBondContact O-CA 3.43Å; V698-S706 WeakPolarHBondContact O-CB 3.45Å; V698-I707 PolarHBondContact N-O 2.91Å; V698-I707 PolarHBondContact O-N 3.2Å; V698-I707 VanDerWaalsContact O-N 3.15Å
699	K	89.9	Confident	86.1	Confident	124 Å²	124	64.8 Å²	64.8	54%	0.539	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.3	179.1	178.6	168.9	-179.2	166.4	0	113.2	A622 V623	A622-K699 CarbonylContact C-O 3.39Å; A622-K699 VanDerWaalsContact CA-O 3.29Å; A622-K699 WeakPolarHBondContact CA-O 3.43Å; A622-K699 WeakPolarHBondContact CB-O 3.44Å; V623-K699 PolarHBondContact N-O 3.13Å; V623-K699 PolarHBondContact O-N 3.2Å
700	H	91.3	Very high	86.8	Confident	7 Å²	7	67.2 Å²	67.2	3%	0.032	35%	0.349	C	S	.	.			trans	-134.7	168	175	-175.5	-106.3	0	0	0	112	F587 C588 P589 P620 A622 E702 W703	F587-H700 PolarHBondContact O-NE2 2.77Å; C588-H700 VanDerWaalsContact CA-CE1 3.41Å; C588-H700 WeakPolarHBondContact CA-CE1 3.32Å; C588-H700 WeakPolarHBondContact CB-ND1 3.34Å; P589-H700 HydrophobicContact CG-CB 4.39Å; P620-H700 PolarHBondContact O-CD2 3.27Å; P620-H700 VanDerWaalsContact O-CD2 3.28Å; P620-H700 PolarHBondContact O-NE2 2.77Å; A622-H700 HydrophobicContact CB-CB 4.44Å; H700-E702 PolarHBondContact ND1-N 3.42Å; H700-E702 VanDerWaalsContact ND1-N 3.17Å; H700-W703 HydrophobicContact CB-CB 4.1Å; H700-W703 HydrophobicContact CB-CD2 3.82Å; H700-W703 HydrophobicContact CB-CE3 4.01Å; H700-W703 HydrophobicContact CB-CG 3.86Å
701	I	86.3	Confident	87.1	Confident	112 Å²	112	65.5 Å²	65.5	57%	0.574	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.1	-178.9	-166.2	171.3	0	0	0	113	P620 W703	P620-I701 HydrophobicContact CG-CB 4.28Å; P620-I701 HydrophobicContact CG-CG2 3.48Å; P620-I701 VanDerWaalsContact CG-CG2 3.48Å; I701-W703 PolarHBondContact O-N 2.71Å; I701-W703 VanDerWaalsContact O-N 3.14Å
702	E	87	Confident	87.5	Confident	100 Å²	100	69.5 Å²	69.5	47%	0.467	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	15.7	175.6	-52.6	-64.8	150.2	0	0	112.6	C588 H700	C588-E702 HydrophobicContact CB-CB 4.21Å; H700-E702 PolarHBondContact ND1-N 3.42Å; H700-E702 VanDerWaalsContact ND1-N 3.17Å
703	W	84	Confident	87.6	Confident	63 Å²	63	68.4 Å²	68.4	24%	0.239	35%	0.347	C	S	.	.			trans	-122.5	141.6	-177.1	-80.1	4.1	0	0	0	111.3	P589 I592 H700 I701 I707	P589-W703 HydrophobicContact CG-CH2 3.77Å; P589-W703 HydrophobicContact CG-CZ2 3.64Å; P589-W703 HydrophobicContact CG-CZ3 4.38Å; P589-W703 WeakPolarHBondContact O-CZ2 3.45Å; I592-W703 HydrophobicContact CD1-CH2 4.48Å; H700-W703 HydrophobicContact CB-CB 4.1Å; H700-W703 HydrophobicContact CB-CD2 3.82Å; H700-W703 HydrophobicContact CB-CE3 4.01Å; H700-W703 HydrophobicContact CB-CG 3.86Å; I701-W703 PolarHBondContact O-N 2.71Å; I701-W703 VanDerWaalsContact O-N 3.14Å; W703-I707 HydrophobicContact CH2-CD1 3.87Å; W703-I707 HydrophobicContact CZ3-CD1 3.88Å; W703-I707 HydrophobicContact CZ3-CG1 4.49Å
704	T	77.8	Confident	87.1	Confident	137 Å²	137	70.4 Å²	70.4	84%	0.84	36%	0.355	S	S	*	.	S	Bend	trans	-83.4	-28.7	175.4	49	0	0	0	0	113.5
705	E	80.8	Confident	86.8	Confident	154 Å²	154	71.6 Å²	71.6	72%	0.72	36%	0.363	S	S	*	.	S	Bend	trans	-134.1	-175.7	-170.2	-63.1	-175	-174.5	0	0	113.5
706	S	88.2	Confident	86	Confident	62 Å²	62	73.1 Å²	73.1	43%	0.434	37%	0.37	S	S	.	.			trans	-144.1	157.3	-168.4	50.5	0	0	0	0	115.4	V698	V698-S706 WeakPolarHBondContact O-CA 3.43Å; V698-S706 WeakPolarHBondContact O-CB 3.45Å
707	I	88.6	Confident	85.3	Confident	87 Å²	87	77.6 Å²	77.6	45%	0.446	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.5	-161.2	-52.9	172.4	0	0	0	112.9	I592 M697 V698 W703	I592-I707 HydrophobicContact CD1-CB 3.7Å; I592-I707 HydrophobicContact CD1-CD1 4.04Å; I592-I707 HydrophobicContact CD1-CG1 4.39Å; I592-I707 HydrophobicContact CD1-CG2 3.89Å; M697-I707 CarbonylContact C-O 3.58Å; M697-I707 VanDerWaalsContact CA-O 3.23Å; M697-I707 WeakPolarHBondContact CA-O 3.45Å; V698-I707 PolarHBondContact N-O 2.91Å; V698-I707 PolarHBondContact O-N 3.2Å; V698-I707 VanDerWaalsContact O-N 3.15Å; W703-I707 HydrophobicContact CH2-CD1 3.87Å; W703-I707 HydrophobicContact CZ3-CD1 3.88Å; W703-I707 HydrophobicContact CZ3-CG1 4.49Å
708	S	89.1	Confident	84.2	Confident	62 Å²	62	77.2 Å²	77.2	43%	0.434	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	168.6	-166.3	58.3	0	0	0	0	120.5	C696	C696-S708 CarbonylContact O-C 3.53Å; C696-S708 WeakPolarHBondContact O-CA 3.45Å; C696-S708 WeakPolarHBondContact O-CB 3.19Å
709	R	87.9	Confident	83.2	Confident	137 Å²	137	78.1 Å²	78.1	52%	0.517	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	163.6	-177.3	-64	-62.6	-169.9	166.2	2.6	115.7	L594 T695 C696	L594-R709 HydrophobicContact CB-CB 3.76Å; L594-R709 HydrophobicContact CB-CG 4.24Å; L594-R709 HydrophobicContact CD2-CB 3.74Å; L594-R709 HydrophobicContact CG-CB 4.4Å; T695-R709 CarbonylContact C-O 3.45Å; T695-R709 WeakPolarHBondContact CA-O 3.19Å; T695-R709 WeakPolarHBondContact CG2-O 3.37Å; C696-R709 PolarHBondContact N-O 2.64Å; C696-R709 PolarHBondContact O-N 2.95Å
710	T	88.9	Confident	82.6	Confident	85 Å²	85	76.1 Å²	76.1	52%	0.521	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158	-170.5	-52.3	0	0	0	0	119.6	L594 F694 T695	L594-T710 VanDerWaalsContact CD2-C 3.47Å; L594-T710 WeakPolarHBondContact CD2-O 3.01Å; F694-T710 CarbonylContact O-C 3.53Å; F694-T710 WeakPolarHBondContact O-CA 3.43Å; F694-T710 WeakPolarHBondContact O-CG2 3.34Å; T695-T710 WeakPolarHBondContact OG1-CG2 3.32Å; T695-T710 PolarHBondContact OG1-OG1 2.81Å
711	H	87	Confident	82.2	Confident	59 Å²	59	77.4 Å²	77.4	27%	0.273	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	174.6	-177.9	-178.3	72.5	0	0	0	118.6	L594 A596 L611 L693 F694	L594-H711 HydrophobicContact CD2-CB 4.32Å; A596-H711 WeakPolarHBondContact CB-CE1 3.41Å; A596-H711 WeakPolarHBondContact CB-NE2 3.46Å; L611-H711 HydrophobicContact CD1-CB 4.32Å; L611-H711 WeakPolarHBondContact CD2-CD2 3.43Å; L693-H711 WeakPolarHBondContact CA-O 3.32Å; L693-H711 WeakPolarHBondContact CD2-O 3.49Å; F694-H711 PolarHBondContact N-O 2.93Å; F694-H711 PolarHBondContact O-N 2.76Å
712	Q	86.3	Confident	82	Confident	102 Å²	102	78.8 Å²	78.8	48%	0.477	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.2	-171.5	-156.7	179.6	14.3	0	0	119.5	G691 M692 L693	G691-Q712 WeakPolarHBondContact O-CG 3.27Å; G691-Q712 PolarHBondContact O-NE2 2.76Å; M692-Q712 VanDerWaalsContact O-CA 3.29Å; M692-Q712 WeakPolarHBondContact O-CA 3.23Å; L693-Q712 HydrophobicContact CD2-CB 3.83Å; L693-Q712 HydrophobicContact CD2-CG 3.9Å
713	L	85.1	Confident	81.8	Confident	10 Å²	10	76.2 Å²	76.2	5%	0.052	39%	0.392	C	S	.	.			trans	-119.1	155.5	-157.1	-173.3	54.8	0	0	0	121.6	I602 Q609 L682 I685 S689 G691 M692 F694	I602-L713 HydrophobicContact CD1-CD1 3.23Å; I602-L713 HydrophobicContact CD1-CG 4.5Å; Q609-L713 VanDerWaalsContact OE1-CD1 3.25Å; L682-L713 HydrophobicContact CD1-CD1 3.49Å; L682-L713 VanDerWaalsContact CD1-CD1 3.49Å; L682-L713 HydrophobicContact CD1-CD2 4.26Å; L682-L713 HydrophobicContact CD1-CG 4.43Å; I685-L713 HydrophobicContact CD1-CD1 4.03Å; I685-L713 HydrophobicContact CD1-CD2 4.27Å; I685-L713 HydrophobicContact CG2-CD2 4.4Å; S689-L713 WeakPolarHBondContact O-CD2 3.27Å; G691-L713 PolarHBondContact N-O 2.81Å; M692-L713 HydrophobicContact CB-CB 4.48Å; M692-L713 HydrophobicContact CB-CD2 4.22Å; M692-L713 PolarHBondContact O-N 2.78Å; F694-L713 HydrophobicContact CE2-CD2 4.19Å
714	M	77.4	Confident	81.9	Confident	92 Å²	92	78.6 Å²	78.6	45%	0.453	40%	0.404	S	S	.	.			trans	-151.6	157	-179.6	-66.7	-173.5	-69.7	0	0	119.7	Q599 G601 I602 D690	Q599-M714 VanDerWaalsContact O-CE 3.27Å; Q599-M714 WeakPolarHBondContact O-CE 3.37Å; G601-M714 WeakPolarHBondContact CA-O 3.33Å; I602-M714 VanDerWaalsContact CB-O 3.29Å; I602-M714 WeakPolarHBondContact CB-O 3.31Å; I602-M714 WeakPolarHBondContact CG1-O 3.24Å; I602-M714 PolarHBondContact N-O 2.84Å; D690-M714 VanDerWaalsContact OD1-CA 3.24Å; D690-M714 WeakPolarHBondContact OD1-CA 3.36Å
715	V	81.8	Confident	82.3	Confident	30 Å²	30	73.3 Å²	73.3	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.9	-169.1	-173.9	0	0	0	0	122	I602 E604 I685 D690	I602-V715 CarbonylContact O-C 3.47Å; I602-V715 WeakPolarHBondContact O-CA 3.15Å; E604-V715 HydrophobicContact CB-CG1 3.76Å; E604-V715 HydrophobicContact CG-CG1 4.41Å; I685-V715 HydrophobicContact CG2-CG2 3.92Å; D690-V715 PolarHBondContact OD1-N 3.44Å; D690-V715 VanDerWaalsContact OD1-N 3.11Å
716	L	74.4	Confident	82.4	Confident	55 Å²	55	69.6 Å²	69.6	29%	0.288	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	176.8	-175.8	-62.9	175.8	0	0	0	118.8	I602 E604 Q749	I602-L716 PolarHBondContact O-N 3.18Å; E604-L716 WeakPolarHBondContact CB-O 3.2Å; E604-L716 PolarHBondContact N-O 3.02Å; L716-Q749 HydrophobicContact CD2-CG 3.96Å
717	Y	76	Confident	81.8	Confident	94 Å²	94	68.3 Å²	68.3	37%	0.369	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	173.4	174.5	63.4	-103.9	0	0	0	120.9	G748 Q749	Y717-G748 WeakPolarHBondContact CE2-O 3.33Å; Y717-Q749 HydrophobicContact CD1-CB 3.65Å; Y717-Q749 HydrophobicContact CD1-CG 4.16Å; Y717-Q749 HydrophobicContact CD2-CB 3.78Å; Y717-Q749 HydrophobicContact CE1-CB 3.56Å; Y717-Q749 HydrophobicContact CE1-CG 4.11Å; Y717-Q749 HydrophobicContact CE2-CB 3.68Å; Y717-Q749 HydrophobicContact CG-CB 3.74Å; Y717-Q749 PolarHBondContact N-O 3.39Å; Y717-Q749 CarbonylContact O-C 3.35Å; Y717-Q749 WeakPolarHBondContact O-CA 3.42Å; Y717-Q749 PolarHBondContact O-N 2.93Å
718	P	68.5	Low	81	Confident	48 Å²	48	71 Å²	71	31%	0.312	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-176.4	-172.3	44.5	-34.1	0	0	0	120.7	W785 S842	P718-W785 HydrophobicContact CB-CH2 4.03Å; P718-S842 WeakPolarHBondContact CB-OG 3.33Å
719	P	71.2	Confident	80.3	Confident	20 Å²	20	71.5 Å²	71.5	13%	0.13	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-176.3	-175.5	41.2	-34.2	0	0	0	118.4	E746 W785	P719-E746 CarbonylContact C-O 3.56Å; P719-E746 WeakPolarHBondContact CA-O 3.29Å; P719-E746 VanDerWaalsContact CB-C 3.48Å; P719-E746 VanDerWaalsContact CB-O 3.24Å; P719-E746 WeakPolarHBondContact CB-O 3.05Å; P719-W785 VanDerWaalsContact CD-CZ2 3.44Å; P719-W785 HydrophobicContact CG-CD2 4.32Å; P719-W785 HydrophobicContact CG-CE3 4.08Å; P719-W785 HydrophobicContact CG-CH2 3.72Å; P719-W785 HydrophobicContact CG-CZ2 3.9Å; P719-W785 HydrophobicContact CG-CZ3 3.77Å
720	T	78	Confident	79.1	Confident	83 Å²	83	69 Å²	69	51%	0.509	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	170	-171.2	65.9	0	0	0	0	115.9	A745 E746	T720-A745 CarbonylContact O-C 3.5Å; T720-A745 WeakPolarHBondContact O-CA 3.18Å; T720-E746 PolarHBondContact N-O 3.26Å; T720-E746 PolarHBondContact O-N 2.75Å; T720-E746 VanDerWaalsContact O-N 3.1Å; T720-E746 PolarHBondContact OG1-O 3.21Å; T720-E746 VanDerWaalsContact OG1-O 3.14Å
721	L	81	Confident	78.1	Confident	34 Å²	34	71.8 Å²	71.8	18%	0.178	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.7	-173.3	-80.9	-170.8	0	0	0	117.9	N744 A745 F787 L837 A844	L721-N744 CarbonylContact C-O 3.59Å; L721-N744 VanDerWaalsContact CA-O 3.25Å; L721-N744 WeakPolarHBondContact CA-O 3.1Å; L721-N744 WeakPolarHBondContact CD2-O 3.15Å; L721-A745 HydrophobicContact CD2-CB 3.66Å; L721-F787 HydrophobicContact CD2-CE1 4.09Å; L721-L837 HydrophobicContact CD1-CB 3.73Å; L721-L837 HydrophobicContact CD2-CB 3.93Å; L721-L837 HydrophobicContact CD2-CD2 4.09Å; L721-L837 HydrophobicContact CG-CB 4.11Å; L721-A844 HydrophobicContact CB-CB 4.3Å; L721-A844 VanDerWaalsContact CD1-C 3.48Å; L721-A844 HydrophobicContact CD1-CB 3.69Å; L721-A844 WeakPolarHBondContact CD1-O 3.15Å; L721-A844 HydrophobicContact CG-CB 3.7Å
722	K	82.4	Confident	77.3	Confident	141 Å²	141	72.9 Å²	72.9	61%	0.613	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.8	172.1	-64.3	167.9	-173.3	146.7	0	113.6	C743 N744	K722-C743 CarbonylContact O-C 3.55Å; K722-C743 VanDerWaalsContact O-CA 3.3Å; K722-C743 WeakPolarHBondContact O-CA 3.27Å; K722-N744 PolarHBondContact N-O 2.92Å; K722-N744 PolarHBondContact O-N 3.26Å
723	L	84	Confident	76.6	Confident	46 Å²	46	69.4 Å²	69.4	24%	0.241	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.8	-178.2	-161.2	71.2	0	0	0	113.9	I742 C743 W789 C835 V846	L723-I742 CarbonylContact C-O 3.57Å; L723-I742 WeakPolarHBondContact CA-O 3.49Å; L723-I742 WeakPolarHBondContact CD1-O 3.4Å; L723-C743 HydrophobicContact CD1-CB 4.07Å; L723-W789 HydrophobicContact CD1-CH2 3.56Å; L723-W789 HydrophobicContact CD1-CZ3 3.92Å; L723-C835 HydrophobicContact CD1-CB 3.67Å; L723-V846 HydrophobicContact CB-CB 4.34Å; L723-V846 HydrophobicContact CB-CG1 3.72Å; L723-V846 HydrophobicContact CB-CG2 3.64Å; L723-V846 HydrophobicContact CD1-CG1 3.98Å; L723-V846 HydrophobicContact CD2-CG1 4.36Å; L723-V846 HydrophobicContact CD2-CG2 4.15Å; L723-V846 HydrophobicContact CG-CG1 4.24Å; L723-V846 HydrophobicContact CG-CG2 4.47Å
724	K	85.8	Confident	75.6	Confident	112 Å²	112	71.3 Å²	71.3	49%	0.487	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.6	179.1	179.9	177.6	-179.6	178.3	0	112.5	L741 I742	K724-L741 CarbonylContact O-C 3.58Å; K724-L741 VanDerWaalsContact O-CA 3.32Å; K724-L741 WeakPolarHBondContact O-CA 3.45Å; K724-I742 HydrophobicContact CB-CB 4.41Å; K724-I742 PolarHBondContact N-O 3.4Å; K724-I742 PolarHBondContact O-N 2.96Å
725	I	85.2	Confident	75	Confident	27 Å²	27	74.7 Å²	74.7	14%	0.138	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.2	178.2	-41.7	-178.3	0	0	0	110.5	Q728 I739 T740 L741 S848	I725-Q728 WeakPolarHBondContact O-CG 3.13Å; I725-I739 HydrophobicContact CG2-CG2 4.1Å; I725-T740 CarbonylContact C-O 3.52Å; I725-T740 WeakPolarHBondContact CA-O 3.1Å; I725-L741 HydrophobicContact CB-CD2 4.13Å; I725-L741 HydrophobicContact CD1-CD2 4.3Å; I725-L741 HydrophobicContact CG1-CD2 3.76Å; I725-L741 HydrophobicContact CG2-CD2 3.8Å; I725-S848 WeakPolarHBondContact CD1-OG 3.46Å
726	I	83.3	Confident	74.4	Confident	76 Å²	76	75 Å²	75	39%	0.39	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	127.9	175.5	-49.9	176.2	0	0	0	109.7	I739 T740 I742	I726-I739 CarbonylContact O-C 3.02Å; I726-I739 WeakPolarHBondContact O-CA 3.32Å; I726-T740 PolarHBondContact N-O 3.23Å; I726-T740 PolarHBondContact O-N 2.84Å; I726-I742 HydrophobicContact CD1-CD1 4.06Å
727	P	77.1	Confident	74.4	Confident	34 Å²	34	77.4 Å²	77.4	22%	0.221	39%	0.387	C	S	.	.	S	Bend	cis	-64.6	160.2	-12.6	28.1	-32.6	0	0	0	111.7	D732 R733	P727-D732 HydrophobicContact CB-CB 4.23Å; P727-D732 HydrophobicContact CG-CB 4.24Å; P727-R733 HydrophobicContact CG-CG 3.91Å; P727-R733 WeakPolarHBondContact O-CD 3.45Å; P727-R733 WeakPolarHBondContact O-CG 3.23Å
728	Q	70.3	Confident	74.6	Confident	145 Å²	145	75.4 Å²	75.4	68%	0.678	39%	0.387	S	S	*	.			trans	-89.3	-27.5	-173.1	-69.4	-179.2	-20.1	0	0	113.5	I725	I725-Q728 WeakPolarHBondContact O-CG 3.13Å
729	T	74	Confident	75.4	Confident	72 Å²	72	73.1 Å²	73.1	44%	0.442	37%	0.372	S	S	.	.	S	Bend	trans	-81.8	136.3	-174.1	26.7	0	0	0	0	112.2	E731 D732 R733	T729-E731 PolarHBondContact O-N 3.09Å; T729-D732 WeakPolarHBondContact CB-OD2 3.46Å; T729-D732 PolarHBondContact O-N 3.35Å; T729-D732 PolarHBondContact OG1-OD2 3.42Å; T729-R733 WeakPolarHBondContact O-CG 3.12Å; T729-R733 PolarHBondContact O-N 2.56Å; T729-R733 VanDerWaalsContact O-N 3.09Å
730	M	64.3	Low	76.1	Confident	85 Å²	85	73.2 Å²	73.2	42%	0.419	37%	0.372	S	S	.	.	H	α-helix	trans	-55.8	-49.3	178.2	-110.9	-58.5	-147.7	0	0	112	D732 R733 L734	M730-D732 VanDerWaalsContact C-N 3.31Å; M730-D732 PolarHBondContact O-N 3.47Å; M730-R733 PolarHBondContact O-N 3.33Å; M730-R733 PolarHBondContact SD-NH2 3.37Å; M730-L734 WeakPolarHBondContact O-CG 3.43Å; M730-L734 PolarHBondContact O-N 3.17Å
731	E	67.3	Low	76.5	Confident	142 Å²	142	69.4 Å²	69.4	66%	0.664	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-29.5	-172.2	-59.8	176.6	159	0	0	113.5	T729 K735	T729-E731 PolarHBondContact O-N 3.09Å; E731-K735 WeakPolarHBondContact O-CD 3.42Å; E731-K735 WeakPolarHBondContact O-CG 3.1Å
732	D	71	Confident	76.8	Confident	82 Å²	82	69.6 Å²	69.6	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-82.4	-35.4	174.8	-60.7	-51.1	0	0	0	111.4	P727 T729 M730 L734 K735 S736	P727-D732 HydrophobicContact CB-CB 4.23Å; P727-D732 HydrophobicContact CG-CB 4.24Å; T729-D732 WeakPolarHBondContact CB-OD2 3.46Å; T729-D732 PolarHBondContact O-N 3.35Å; T729-D732 PolarHBondContact OG1-OD2 3.42Å; M730-D732 VanDerWaalsContact C-N 3.31Å; M730-D732 PolarHBondContact O-N 3.47Å; D732-L734 VanDerWaalsContact C-N 3.3Å; D732-L734 PolarHBondContact O-N 3.01Å; D732-K735 CarbonylContact O-C 3.3Å; D732-K735 PolarHBondContact O-N 3.29Å; D732-K735 VanDerWaalsContact O-N 3.11Å; D732-S736 VanDerWaalsContact O-CB 3.26Å; D732-S736 WeakPolarHBondContact O-CB 3.4Å; D732-S736 PolarHBondContact O-N 3.4Å
733	R	70.9	Confident	77.1	Confident	29 Å²	29	62.9 Å²	62.9	11%	0.109	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-40.3	171.8	-71.1	-175.5	-48.2	178.3	10.9	111.6	P727 T729 M730 K735 S736 I739 L850	P727-R733 HydrophobicContact CG-CG 3.91Å; P727-R733 WeakPolarHBondContact O-CD 3.45Å; P727-R733 WeakPolarHBondContact O-CG 3.23Å; T729-R733 WeakPolarHBondContact O-CG 3.12Å; T729-R733 PolarHBondContact O-N 2.56Å; T729-R733 VanDerWaalsContact O-N 3.09Å; M730-R733 PolarHBondContact O-N 3.33Å; M730-R733 PolarHBondContact SD-NH2 3.37Å; R733-K735 PolarHBondContact O-N 3.4Å; R733-S736 PolarHBondContact O-N 3.06Å; R733-I739 HydrophobicContact CB-CD1 3.86Å; R733-I739 HydrophobicContact CG-CD1 3.94Å; R733-L850 VanDerWaalsContact NH1-CD2 3.25Å
734	L	64.7	Low	77	Confident	51 Å²	51	65.2 Å²	65.2	27%	0.267	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.7	176.4	-67.2	170.9	0	0	0	113.9	M730 D732 E851 T853 Y883	M730-L734 WeakPolarHBondContact O-CG 3.43Å; M730-L734 PolarHBondContact O-N 3.17Å; D732-L734 VanDerWaalsContact C-N 3.3Å; D732-L734 PolarHBondContact O-N 3.01Å; L734-E851 WeakPolarHBondContact CD2-O 3.01Å; L734-T853 HydrophobicContact CB-CG2 4.4Å; L734-T853 HydrophobicContact CD2-CG2 4.11Å; L734-Y883 HydrophobicContact CD2-CE1 4.47Å
735	K	63.6	Low	76.7	Confident	162 Å²	162	61 Å²	61	70%	0.704	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-4.3	178.4	-65	169.8	-170.6	160.1	0	113.5	E731 D732 R733	E731-K735 WeakPolarHBondContact O-CD 3.42Å; E731-K735 WeakPolarHBondContact O-CG 3.1Å; D732-K735 CarbonylContact O-C 3.3Å; D732-K735 PolarHBondContact O-N 3.29Å; D732-K735 VanDerWaalsContact O-N 3.11Å; R733-K735 PolarHBondContact O-N 3.4Å
736	S	69.8	Low	76.3	Confident	36 Å²	36	65.8 Å²	65.8	25%	0.252	34%	0.341	S	S	.	.			trans	-92.1	129.1	-171.3	-171.4	0	0	0	0	112.3	D732 R733 S738	D732-S736 VanDerWaalsContact O-CB 3.26Å; D732-S736 WeakPolarHBondContact O-CB 3.4Å; D732-S736 PolarHBondContact O-N 3.4Å; R733-S736 PolarHBondContact O-N 3.06Å; S736-S738 WeakPolarHBondContact CB-O 3.48Å; S736-S738 PolarHBondContact O-N 2.83Å; S736-S738 PolarHBondContact OG-N 2.69Å; S736-S738 PolarHBondContact OG-O 2.88Å
737	N	74.5	Confident	75.9	Confident	106 Å²	106	64 Å²	64	57%	0.567	34%	0.342	S	S	*	.	S	Bend	trans	-69.3	-7.4	170.7	-70.9	-26.1	0	0	0	113.4	N823 Y824	N737-N823 WeakPolarHBondContact O-CA 3.29Å; N737-Y824 HydrophobicContact CB-CD1 3.96Å; N737-Y824 HydrophobicContact CB-CE1 3.73Å; N737-Y824 PolarHBondContact O-N 2.9Å
738	S	80.9	Confident	75.6	Confident	52 Å²	52	62.8 Å²	62.8	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154.1	170.2	65.9	0	0	0	0	114.7	S736 L822 N823	S736-S738 WeakPolarHBondContact CB-O 3.48Å; S736-S738 PolarHBondContact O-N 2.83Å; S736-S738 PolarHBondContact OG-N 2.69Å; S736-S738 PolarHBondContact OG-O 2.88Å; S738-L822 CarbonylContact C-O 3.48Å; S738-L822 WeakPolarHBondContact CA-O 3.29Å; S738-L822 VanDerWaalsContact CB-O 3.23Å; S738-L822 WeakPolarHBondContact CB-O 3.43Å; S738-N823 WeakPolarHBondContact CB-OD1 3.33Å
739	I	84.1	Confident	75.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142.9	179.5	-59.5	-177	0	0	0	109.3	I725 I726 R733 I821 L822 L850 F852	I725-I739 HydrophobicContact CG2-CG2 4.1Å; I726-I739 CarbonylContact O-C 3.02Å; I726-I739 WeakPolarHBondContact O-CA 3.32Å; R733-I739 HydrophobicContact CB-CD1 3.86Å; R733-I739 HydrophobicContact CG-CD1 3.94Å; I739-I821 CarbonylContact O-C 2.83Å; I739-I821 WeakPolarHBondContact O-CA 3.09Å; I739-L822 PolarHBondContact N-O 2.94Å; I739-L822 PolarHBondContact O-N 2.82Å; I739-L850 HydrophobicContact CG2-CD1 4.4Å; I739-F852 HydrophobicContact CD1-CE1 3.54Å; I739-F852 HydrophobicContact CD1-CZ 4.13Å
740	T	85.9	Confident	75	Confident	22 Å²	22	59.2 Å²	59.2	14%	0.135	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.4	-177.5	-65	0	0	0	0	111.8	I725 I726 I742 K819 L820 I821	I725-T740 CarbonylContact C-O 3.52Å; I725-T740 WeakPolarHBondContact CA-O 3.1Å; I726-T740 PolarHBondContact N-O 3.23Å; I726-T740 PolarHBondContact O-N 2.84Å; T740-I742 HydrophobicContact CG2-CD1 4.42Å; T740-I742 HydrophobicContact CG2-CG1 4.17Å; T740-K819 HydrophobicContact CG2-CD 4.36Å; T740-K819 HydrophobicContact CG2-CG 4.02Å; T740-L820 CarbonylContact C-O 3.53Å; T740-L820 WeakPolarHBondContact CA-O 3.41Å; T740-I821 HydrophobicContact CG2-CG1 4.28Å
741	L	86.9	Confident	74.8	Confident	2 Å²	2	62 Å²	62	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.7	-179.4	-57.6	162.1	0	0	0	109.6	K724 I725 W789 K819 L820 Y833	K724-L741 CarbonylContact O-C 3.58Å; K724-L741 VanDerWaalsContact O-CA 3.32Å; K724-L741 WeakPolarHBondContact O-CA 3.45Å; I725-L741 HydrophobicContact CB-CD2 4.13Å; I725-L741 HydrophobicContact CD1-CD2 4.3Å; I725-L741 HydrophobicContact CG1-CD2 3.76Å; I725-L741 HydrophobicContact CG2-CD2 3.8Å; L741-W789 HydrophobicContact CB-CH2 3.37Å; L741-W789 HydrophobicContact CB-CZ2 4.18Å; L741-W789 HydrophobicContact CB-CZ3 3.68Å; L741-W789 HydrophobicContact CD1-CZ3 4Å; L741-W789 HydrophobicContact CG-CZ3 4.41Å; L741-K819 CarbonylContact O-C 3.47Å; L741-K819 WeakPolarHBondContact O-CA 3.46Å; L741-L820 HydrophobicContact CB-CB 4.37Å; L741-L820 HydrophobicContact CD1-CD2 4.06Å; L741-L820 HydrophobicContact CD1-CG 4.45Å; L741-L820 PolarHBondContact N-O 2.74Å; L741-L820 PolarHBondContact O-N 2.78Å; L741-Y833 HydrophobicContact CD1-CD1 4.07Å; L741-Y833 HydrophobicContact CD1-CG 4.22Å
742	I	88.1	Confident	74.5	Confident	38 Å²	38	58.8 Å²	58.8	20%	0.195	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.5	-174.2	-53.5	176	0	0	0	112.5	L723 K724 I726 T740 N818 K819	L723-I742 CarbonylContact C-O 3.57Å; L723-I742 WeakPolarHBondContact CA-O 3.49Å; L723-I742 WeakPolarHBondContact CD1-O 3.4Å; K724-I742 HydrophobicContact CB-CB 4.41Å; K724-I742 PolarHBondContact N-O 3.4Å; K724-I742 PolarHBondContact O-N 2.96Å; I726-I742 HydrophobicContact CD1-CD1 4.06Å; T740-I742 HydrophobicContact CG2-CD1 4.42Å; T740-I742 HydrophobicContact CG2-CG1 4.17Å; I742-N818 CarbonylContact C-O 3.49Å; I742-N818 WeakPolarHBondContact CA-O 3.32Å; I742-K819 HydrophobicContact CG1-CB 4.47Å; I742-K819 HydrophobicContact CG1-CG 4.11Å
743	C	87.3	Confident	73.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.3	-169.6	-152.8	0	0	0	0	114.2	K722 L723 F787 W789 N818 C835	K722-C743 CarbonylContact O-C 3.55Å; K722-C743 VanDerWaalsContact O-CA 3.3Å; K722-C743 WeakPolarHBondContact O-CA 3.27Å; L723-C743 HydrophobicContact CD1-CB 4.07Å; C743-F787 HydrophobicContact CB-CD1 4.46Å; C743-F787 HydrophobicContact CB-CE1 4.1Å; C743-W789 HydrophobicContact CB-CZ2 4.49Å; C743-N818 HydrophobicContact CB-CB 4.15Å; C743-N818 PolarHBondContact N-O 2.66Å; C743-N818 VanDerWaalsContact O-CB 3.26Å; C743-N818 WeakPolarHBondContact O-CB 3.21Å; C743-N818 PolarHBondContact O-ND2 3.41Å; C743-C835 HydrophobicContact CB-CB 4.04Å; C743-C835 WeakPolarHBondContact CB-SG 3.18Å; C743-C835 WeakPolarHBondContact SG-CB 3.41Å; C743-C835 CovalentContact SG-SG 2.05Å; C743-C835 PolarHBondContact SG-SG 2.84Å
744	N	83	Confident	72.9	Confident	95 Å²	95	68.7 Å²	68.7	51%	0.508	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.9	-171.5	-68.1	53.1	0	0	0	114.2	L721 K722	L721-N744 CarbonylContact C-O 3.59Å; L721-N744 VanDerWaalsContact CA-O 3.25Å; L721-N744 WeakPolarHBondContact CA-O 3.1Å; L721-N744 WeakPolarHBondContact CD2-O 3.15Å; K722-N744 PolarHBondContact N-O 2.92Å; K722-N744 PolarHBondContact O-N 3.26Å
745	A	79.6	Confident	71.7	Confident	25 Å²	25	71 Å²	71	21%	0.207	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.5	-168.5	0	0	0	0	0	118.9	T720 L721 L837	T720-A745 CarbonylContact O-C 3.5Å; T720-A745 WeakPolarHBondContact O-CA 3.18Å; L721-A745 HydrophobicContact CD2-CB 3.66Å; A745-L837 HydrophobicContact CB-CD2 3.93Å
746	E	76.3	Confident	70.3	Confident	126 Å²	126	72.7 Å²	72.7	59%	0.589	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.9	124.4	-176.9	-169.1	176.6	179.7	0	0	115.7	P719 T720	P719-E746 CarbonylContact C-O 3.56Å; P719-E746 WeakPolarHBondContact CA-O 3.29Å; P719-E746 VanDerWaalsContact CB-C 3.48Å; P719-E746 VanDerWaalsContact CB-O 3.24Å; P719-E746 WeakPolarHBondContact CB-O 3.05Å; T720-E746 PolarHBondContact N-O 3.26Å; T720-E746 PolarHBondContact O-N 2.75Å; T720-E746 VanDerWaalsContact O-N 3.1Å; T720-E746 PolarHBondContact OG1-O 3.21Å; T720-E746 VanDerWaalsContact OG1-O 3.14Å
747	G	74.3	Confident	68.7	Low	40 Å²	40	76.9 Å²	76.9	41%	0.412	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.4	-166.1	166.9	0	0	0	0	0	120.1	Y752	G747-Y752 WeakPolarHBondContact O-CB 3.37Å; G747-Y752 PolarHBondContact O-N 2.03Å
748	G	70.3	Confident	66.5	Low	8 Å²	8	78.6 Å²	78.6	8%	0.082	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.9	161.9	159.1	0	0	0	0	0	121.5	Y717 P750 K751	Y717-G748 WeakPolarHBondContact CE2-O 3.33Å; G748-P750 CarbonylContact C-O 2.92Å; G748-K751 VanDerWaalsContact O-CG 3.26Å; G748-K751 WeakPolarHBondContact O-CG 3.26Å
749	Q	70.9	Confident	63.9	Low	76 Å²	76	85 Å²	85	36%	0.355	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	98.3	165.4	165.9	55.9	-6.2	0	0	110	L716 Y717	L716-Q749 HydrophobicContact CD2-CG 3.96Å; Y717-Q749 HydrophobicContact CD1-CB 3.65Å; Y717-Q749 HydrophobicContact CD1-CG 4.16Å; Y717-Q749 HydrophobicContact CD2-CB 3.78Å; Y717-Q749 HydrophobicContact CE1-CB 3.56Å; Y717-Q749 HydrophobicContact CE1-CG 4.11Å; Y717-Q749 HydrophobicContact CE2-CB 3.68Å; Y717-Q749 HydrophobicContact CG-CB 3.74Å; Y717-Q749 PolarHBondContact N-O 3.39Å; Y717-Q749 CarbonylContact O-C 3.35Å; Y717-Q749 WeakPolarHBondContact O-CA 3.42Å; Y717-Q749 PolarHBondContact O-N 2.93Å
750	P	62	Low	61.4	Low	66 Å²	66	92.7 Å²	92.7	43%	0.429	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	cis	-63.3	143.3	5.9	-21.4	33.4	0	0	0	113.3	G748 M784	G748-P750 CarbonylContact C-O 2.92Å; P750-M784 HydrophobicContact CB-CE 3.77Å; P750-M784 HydrophobicContact CG-CE 3.88Å
751	K	60	Low	58.6	Low	144 Å²	144	98.6 Å²	98.6	63%	0.626	51%	0.511	S	S	*	.	B	Isolated β-bridge	trans	-66.9	139.5	-176.3	-68.1	178	177.3	-174.3	0	111.9	G748 F753	G748-K751 VanDerWaalsContact O-CG 3.26Å; G748-K751 WeakPolarHBondContact O-CG 3.26Å; K751-F753 HydrophobicContact CB-CE2 4.08Å
752	Y	59.9	Low	55.7	Low	73 Å²	73	105.9 Å²	105.9	29%	0.286	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-75.1	150	167	178.3	-104.5	0	0	0	111.1	G747 E754 W785	G747-Y752 WeakPolarHBondContact O-CB 3.37Å; G747-Y752 PolarHBondContact O-N 2.03Å; Y752-E754 HydrophobicContact CE1-CB 3.92Å; Y752-E754 HydrophobicContact CE1-CG 4.48Å; Y752-W785 HydrophobicContact CD2-CB 4.31Å; Y752-W785 AromaticContact CD2-CD1 3.78Å; Y752-W785 HydrophobicContact CD2-CG 4.14Å; Y752-W785 HydrophobicContact CE2-CB 4.31Å
753	F	54.9	Low	53.1	Low	173 Å²	173	111.2 Å²	111.2	76%	0.759	58%	0.577	S	S	*	*			trans	-137.8	131.7	171.6	-72	-91.7	0	0	0	108.2	K751	K751-F753 HydrophobicContact CB-CE2 4.08Å
754	E	53.7	Low	50	Low	146 Å²	146	118.7 Å²	118.7	68%	0.682	61%	0.613	S	S	*	*			trans	-92.6	134.5	177.7	-164.4	156.3	-119.4	0	0	109.3	Y752	Y752-E754 HydrophobicContact CE1-CB 3.92Å; Y752-E754 HydrophobicContact CE1-CG 4.48Å
755	S	40.9	Very low	47.4	Very low	101 Å²	101	122.3 Å²	122.3	71%	0.706	62%	0.62	S	S	*	*			trans	-108.9	105.1	-175.5	60	0	0	0	0	112	T757	S755-T757 PolarHBondContact O-N 2.91Å
756	E	34	Very low	44.8	Very low	196 Å²	196	128.7 Å²	128.7	92%	0.916	65%	0.646	S	S	*	*			trans	-73.1	81.6	172.7	-64.6	-178.7	118.6	0	0	111.6
757	T	34.6	Very low	42.5	Very low	125 Å²	125	129.2 Å²	129.2	77%	0.767	65%	0.653	S	S	*	*			trans	-143.4	119.9	163.1	51.2	0	0	0	0	112.9	S755	S755-T757 PolarHBondContact O-N 2.91Å
758	D	28.4	Very low	40.2	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	67%	0.67	S	S	*	*			trans	-51.2	166.1	-177.5	-72.2	-58.7	0	0	0	120.9
759	F	27.9	Very low	38.4	Very low	186 Å²	186	145.5 Å²	145.5	82%	0.816	71%	0.71	S	S	*	*			trans	12.1	122.9	138.7	-65.5	-112.6	0	0	0	119.1
760	L	30	Very low	36.4	Very low	163 Å²	163	146.4 Å²	146.4	85%	0.853	73%	0.725	S	S	*	*				-166.8	172.8	106.6	-136.5	68.3	0	0	0	112.2
761	D	27.3	Very low	34.9	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	75%	0.747	S	S	*	*			trans	-86	148.6	-177.5	-56	-75.8	0	0	0	114.9
762	D	26.4	Very low	33.4	Very low	156 Å²	156	152.2 Å²	152.2	83%	0.834	76%	0.759	S	S	*	*			trans	67.4	175.2	145.1	-124.1	-31.3	0	0	0	122.1
763	I	33.3	Very low	32	Very low	149 Å²	149	158.4 Å²	158.4	76%	0.764	79%	0.791	S	S	*	*			trans	79.6	79.5	171	-41.5	-174.9	0	0	0	118.5
764	Q	23.2	Very low	30.6	Very low	158 Å²	158	153.5 Å²	153.5	74%	0.738	79%	0.788	S	S	*	*				26.6	143.9	121.4	-89.1	-173	11.2	0	0	124.7
765	Y	27.3	Very low	29.4	Very low	170 Å²	170	154 Å²	154	67%	0.667	80%	0.801	S	S	*	*			trans	89.7	120.7	147.8	-90.6	-68.5	0	0	0	122.3
766	E	25.1	Very low	28.7	Very low	160 Å²	160	153.3 Å²	153.3	75%	0.748	80%	0.797	S	S	*	*			trans	-79.8	152.2	163.7	-48	170.7	112.6	0	0	111.8
767	N	29	Very low	28.6	Very low	137 Å²	137	152.2 Å²	152.2	73%	0.733	80%	0.797	S	S	*	*				-176	160	113.2	-112.8	-84.2	0	0	0	116
768	K	25.6	Very low	28.2	Very low	180 Å²	180	151.2 Å²	151.2	78%	0.783	79%	0.786	S	S	*	*			trans	63.7	121.5	167.8	-61.9	166.7	-176.3	171.9	0	118.1
769	F	33.2	Very low	28.4	Very low	210 Å²	210	152.9 Å²	152.9	92%	0.921	79%	0.787	S	S	*	*				-161.5	173.5	99.8	-118.1	-83.8	0	0	0	111.1
770	S	27	Very low	29	Very low	94 Å²	94	151.5 Å²	151.5	66%	0.657	79%	0.788	S	S	*	*			trans	-136.5	141.2	-167.7	62.6	0	0	0	0	114.6
771	K	30.8	Very low	29.5	Very low	208 Å²	208	152.8 Å²	152.8	90%	0.904	79%	0.787	S	S	*	*			trans	58.3	117.1	162.1	-67.1	-176	175.5	-177.5	0	118.8
772	S	29.9	Very low	30.2	Very low	124 Å²	124	154 Å²	154	87%	0.867	79%	0.787	S	S	*	*				-159.9	163.2	125	55	0	0	0	0	110.3
773	Q	28.8	Very low	31.4	Very low	204 Å²	204	153.4 Å²	153.4	95%	0.953	78%	0.784	S	S	*	*			trans	-87.5	137.2	172.4	-68.5	165.3	-79.7	0	0	109.5
774	G	27	Very low	32.6	Very low	69 Å²	69	148.9 Å²	148.9	71%	0.711	76%	0.76	S	S	*	*			trans	172.3	117.4	173.5	0	0	0	0	0	112.1	S776	G774-S776 PolarHBondContact O-N 3.37Å
775	T	27.2	Very low	34.6	Very low	156 Å²	156	143 Å²	143	96%	0.957	73%	0.732	S	S	*	*			trans	-69.3	111.7	173	44.1	0	0	0	0	110.1
776	S	26.5	Very low	36.8	Very low	87 Å²	87	139.7 Å²	139.7	61%	0.608	72%	0.72	S	S	*	*			trans	-134.6	135	168.5	69.3	0	0	0	0	111.1	G774 N778	G774-S776 PolarHBondContact O-N 3.37Å; S776-N778 PolarHBondContact O-N 2.92Å; S776-N778 PolarHBondContact OG-ND2 2.91Å
777	L	31.9	Very low	39.3	Very low	174 Å²	174	133.9 Å²	133.9	91%	0.911	69%	0.693	S	S	*	*			trans	-64	125.8	163.8	-92.3	62.2	0	0	0	108.3
778	N	26.8	Very low	41.6	Very low	103 Å²	103	130.6 Å²	130.6	55%	0.551	67%	0.671	S	S	*	*			trans	-148.2	124.1	172.5	-100.2	-65.7	0	0	0	114.6	S776 D780	S776-N778 PolarHBondContact O-N 2.92Å; S776-N778 PolarHBondContact OG-ND2 2.91Å; N778-D780 PolarHBondContact O-N 3.1Å
779	K	32.8	Very low	44.2	Very low	176 Å²	176	123 Å²	123	77%	0.765	64%	0.637	S	S	*	*	S	Bend	trans	62.3	-17.1	141.3	-64.8	179.7	-179.1	-174.1	0	123.3	K781	K779-K781 PolarHBondContact O-N 2.94Å
780	D	39.3	Very low	46.4	Very low	157 Å²	157	118.3 Å²	118.3	84%	0.84	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-67.6	-5	-175.9	-73.6	-22.5	0	0	0	116.2	N778 H782	N778-D780 PolarHBondContact O-N 3.1Å; D780-H782 VanDerWaalsContact C-N 3.31Å; D780-H782 PolarHBondContact O-N 2.77Å
781	K	40.4	Very low	49	Very low	191 Å²	191	114.4 Å²	114.4	83%	0.83	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-71.7	-11.2	-175.8	-77.3	-168.9	173.7	-175.5	0	116.2	K779	K779-K781 PolarHBondContact O-N 2.94Å
782	H	41.9	Very low	51	Low	171 Å²	171	106.4 Å²	106.4	79%	0.792	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-90.9	-11.4	-169.2	-79.7	-73.4	0	0	0	116.6	D780	D780-H782 VanDerWaalsContact C-N 3.31Å; D780-H782 PolarHBondContact O-N 2.77Å
783	N	51.5	Low	53.1	Low	143 Å²	143	102.5 Å²	102.5	77%	0.765	52%	0.523	S	S	*	.			trans	-125.1	51.9	-173.8	-93.4	-30.3	0	0	0	113.4
784	M	59.1	Low	55.3	Low	54 Å²	54	94.7 Å²	94.7	27%	0.266	49%	0.487	S	S	.	.			trans	-80.3	-15.1	179.4	-59.9	-150.8	-39.1	0	0	115.3	P750 G839 S840	P750-M784 HydrophobicContact CB-CE 3.77Å; P750-M784 HydrophobicContact CG-CE 3.88Å; M784-G839 CarbonylContact O-C 3.28Å; M784-G839 WeakPolarHBondContact O-CA 3.43Å; M784-S840 PolarHBondContact O-N 3.06Å; M784-S840 VanDerWaalsContact O-N 3.13Å
785	W	66.1	Low	57.4	Low	36 Å²	36	92.8 Å²	92.8	14%	0.136	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	-171.5	-61.2	89.6	0	0	0	113.7	P718 P719 Y752 L837 E838 S842	P718-W785 HydrophobicContact CB-CH2 4.03Å; P719-W785 VanDerWaalsContact CD-CZ2 3.44Å; P719-W785 HydrophobicContact CG-CD2 4.32Å; P719-W785 HydrophobicContact CG-CE3 4.08Å; P719-W785 HydrophobicContact CG-CH2 3.72Å; P719-W785 HydrophobicContact CG-CZ2 3.9Å; P719-W785 HydrophobicContact CG-CZ3 3.77Å; Y752-W785 HydrophobicContact CD2-CB 4.31Å; Y752-W785 AromaticContact CD2-CD1 3.78Å; Y752-W785 HydrophobicContact CD2-CG 4.14Å; Y752-W785 HydrophobicContact CE2-CB 4.31Å; W785-L837 HydrophobicContact CB-CD1 4.44Å; W785-L837 HydrophobicContact CE3-CD2 3.82Å; W785-L837 HydrophobicContact CE3-CG 4.11Å; W785-L837 HydrophobicContact CZ3-CD2 4.49Å; W785-E838 CarbonylContact C-O 3.56Å; W785-E838 WeakPolarHBondContact CA-O 3.04Å; W785-S842 WeakPolarHBondContact CZ3-O 3.46Å
786	K	72	Confident	59.2	Low	99 Å²	99	87.3 Å²	87.3	43%	0.43	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.1	-172.7	-60.2	171.3	-168.6	152.2	0	114.5	Y788 L837 E838	K786-Y788 HydrophobicContact CB-CE2 4.25Å; K786-L837 CarbonylContact O-C 3.58Å; K786-L837 VanDerWaalsContact O-CA 3.24Å; K786-L837 WeakPolarHBondContact O-CA 3.22Å; K786-L837 WeakPolarHBondContact O-CD1 3.36Å; K786-E838 PolarHBondContact N-O 2.95Å; K786-E838 PolarHBondContact O-N 3.11Å
787	F	78.2	Confident	60.7	Low	38 Å²	38	88.1 Å²	88.1	17%	0.167	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.7	-179.5	-75.8	-82.4	0	0	0	115.8	L721 C743 N818 L836 L837	L721-F787 HydrophobicContact CD2-CE1 4.09Å; C743-F787 HydrophobicContact CB-CD1 4.46Å; C743-F787 HydrophobicContact CB-CE1 4.1Å; F787-N818 HydrophobicContact CD1-CB 4Å; F787-N818 HydrophobicContact CD2-CB 3.98Å; F787-N818 HydrophobicContact CE1-CB 3.95Å; F787-N818 HydrophobicContact CE2-CB 3.93Å; F787-N818 HydrophobicContact CG-CB 4Å; F787-N818 HydrophobicContact CZ-CB 3.91Å; F787-L836 CarbonylContact C-O 3.45Å; F787-L836 VanDerWaalsContact CA-O 3.28Å; F787-L836 WeakPolarHBondContact CA-O 3.45Å; F787-L837 HydrophobicContact CD1-CB 4.37Å; F787-L837 HydrophobicContact CD1-CD1 3.92Å; F787-L837 HydrophobicContact CD2-CD1 3.82Å; F787-L837 HydrophobicContact CE1-CB 4.32Å; F787-L837 HydrophobicContact CE1-CD1 3.8Å; F787-L837 HydrophobicContact CE2-CD1 3.7Å; F787-L837 HydrophobicContact CG-CD1 3.95Å; F787-L837 HydrophobicContact CZ-CD1 3.69Å
788	Y	78.3	Confident	61.9	Low	68 Å²	68	85 Å²	85	27%	0.267	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	169.5	176.6	-51.2	-89.5	0	0	0	114.4	K786 C835 L836 E838	K786-Y788 HydrophobicContact CB-CE2 4.25Å; Y788-C835 WeakPolarHBondContact O-CA 3.25Å; Y788-L836 HydrophobicContact CD2-CB 4.5Å; Y788-L836 HydrophobicContact CD2-CD2 4Å; Y788-L836 PolarHBondContact N-O 3.28Å; Y788-L836 PolarHBondContact O-N 3.36Å; Y788-E838 HydrophobicContact CD2-CB 4.47Å; Y788-E838 HydrophobicContact CE2-CB 3.78Å; Y788-E838 HydrophobicContact CE2-CG 4.48Å; Y788-E838 VanDerWaalsContact CE2-OE2 3.3Å; Y788-E838 WeakPolarHBondContact CE2-OE2 3.02Å; Y788-E838 PolarHBondContact OH-OE2 3.11Å
789	W	80.2	Confident	63.3	Low	21 Å²	21	82.3 Å²	82.3	8%	0.08	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.6	177.1	-67.1	89.6	0	0	0	114.9	L723 L741 C743 S817 L820 T834 C835	L723-W789 HydrophobicContact CD1-CH2 3.56Å; L723-W789 HydrophobicContact CD1-CZ3 3.92Å; L741-W789 HydrophobicContact CB-CH2 3.37Å; L741-W789 HydrophobicContact CB-CZ2 4.18Å; L741-W789 HydrophobicContact CB-CZ3 3.68Å; L741-W789 HydrophobicContact CD1-CZ3 4Å; L741-W789 HydrophobicContact CG-CZ3 4.41Å; C743-W789 HydrophobicContact CB-CZ2 4.49Å; W789-S817 PolarHBondContact NE1-O 3.02Å; W789-L820 HydrophobicContact CB-CD2 4.11Å; W789-L820 HydrophobicContact CD2-CB 3.76Å; W789-L820 HydrophobicContact CD2-CD2 3.85Å; W789-L820 HydrophobicContact CD2-CG 4.44Å; W789-L820 HydrophobicContact CE3-CB 4.2Å; W789-L820 HydrophobicContact CE3-CD2 3.83Å; W789-L820 HydrophobicContact CG-CB 4.13Å; W789-L820 HydrophobicContact CG-CD2 3.98Å; W789-L820 HydrophobicContact CH2-CB 4.42Å; W789-L820 HydrophobicContact CZ2-CB 3.99Å; W789-T834 CarbonylContact C-O 3.51Å; W789-T834 WeakPolarHBondContact CA-O 3.03Å; W789-C835 HydrophobicContact CD2-CB 4.41Å; W789-C835 HydrophobicContact CE3-CB 4.12Å; W789-C835 HydrophobicContact CH2-CB 4.01Å; W789-C835 HydrophobicContact CZ2-CB 4.3Å; W789-C835 HydrophobicContact CZ3-CB 3.92Å
790	K	79.4	Confident	63.7	Low	111 Å²	111	79.8 Å²	79.8	48%	0.483	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	163.3	174.5	-60.8	-167.2	174.2	-161.3	0	113.8	Y833 T834	K790-Y833 WeakPolarHBondContact O-CA 3.31Å; K790-T834 PolarHBondContact N-O 2.77Å; K790-T834 PolarHBondContact O-N 2.79Å; K790-T834 VanDerWaalsContact O-N 3.07Å
791	F	80.2	Confident	64.1	Low	13 Å²	13	79.9 Å²	79.9	6%	0.057	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.3	-179.6	172.4	-116	0	0	0	114.7	P793 F809 L812 Q829 D832 Y833	F791-P793 HydrophobicContact CE1-CB 4.1Å; F791-P793 HydrophobicContact CZ-CB 4.02Å; F791-F809 WeakPolarHBondContact O-CD1 3.29Å; F791-L812 HydrophobicContact CB-CD1 3.61Å; F791-L812 HydrophobicContact CB-CG 3.85Å; F791-L812 HydrophobicContact CG-CD1 4.13Å; F791-L812 HydrophobicContact CG-CG 4.47Å; F791-Q829 WeakPolarHBondContact CE2-O 3.47Å; F791-Q829 VanDerWaalsContact CZ-O 3.25Å; F791-Q829 WeakPolarHBondContact CZ-O 3.25Å; F791-D832 CarbonylContact C-O 3.57Å; F791-D832 WeakPolarHBondContact CA-O 3.42Å; F791-D832 WeakPolarHBondContact CD2-O 3Å; F791-Y833 HydrophobicContact CB-CD1 4.34Å; F791-Y833 HydrophobicContact CB-CE1 4.21Å; F791-Y833 HydrophobicContact CD2-CD1 4.05Å; F791-Y833 AromaticContact CD2-CD2 3.86Å; F791-Y833 HydrophobicContact CD2-CD2 3.86Å; F791-Y833 AromaticContact CD2-CE1 3.61Å; F791-Y833 HydrophobicContact CD2-CE1 3.61Å; F791-Y833 AromaticContact CD2-CE2 3.38Å; F791-Y833 HydrophobicContact CD2-CE2 3.38Å; F791-Y833 HydrophobicContact CD2-CG 4.16Å; F791-Y833 AromaticContact CD2-CZ 3.23Å; F791-Y833 HydrophobicContact CE2-CD2 4.27Å; F791-Y833 HydrophobicContact CE2-CE1 4.32Å; F791-Y833 AromaticContact CE2-CE2 3.47Å; F791-Y833 HydrophobicContact CE2-CE2 3.47Å; F791-Y833 VanDerWaalsContact CE2-CE2 3.47Å; F791-Y833 AromaticContact CE2-CZ 3.5Å; F791-Y833 VanDerWaalsContact CE2-CZ 3.5Å; F791-Y833 WeakPolarHBondContact CE2-OH 3.32Å; F791-Y833 HydrophobicContact CG-CE1 4.11Å
792	R	73	Confident	64.2	Low	39 Å²	39	72.5 Å²	72.5	15%	0.147	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	122.4	174.4	-165.4	-172.6	-163.6	-130.2	-3.3	112.5	F809 G831 D832 D983 D985	R792-F809 HydrophobicContact CB-CD1 3.98Å; R792-F809 HydrophobicContact CB-CE1 3.64Å; R792-F809 HydrophobicContact CB-CZ 4.35Å; R792-F809 VanDerWaalsContact CD-CZ 3.48Å; R792-F809 HydrophobicContact CG-CD1 4.11Å; R792-F809 HydrophobicContact CG-CE1 3.62Å; R792-F809 HydrophobicContact CG-CE2 4.45Å; R792-F809 HydrophobicContact CG-CZ 3.82Å; R792-G831 CarbonylContact O-C 3.55Å; R792-G831 WeakPolarHBondContact O-CA 3.43Å; R792-D832 HydrophobicContact CB-CB 4.27Å; R792-D832 PolarHBondContact N-O 3.08Å; R792-D832 PolarHBondContact O-N 3.48Å; R792-D983 IonicContact CZ-OD1 3.96Å; R792-D983 IonicContact CZ-OD2 2.71Å; R792-D983 IonicContact NH1-OD1 3.55Å; R792-D983 IonicContact NH1-OD2 3.44Å; R792-D983 PolarHBondContact NH1-OD2 2.88Å; R792-D983 VanDerWaalsContact NH2-CG 3.33Å; R792-D983 IonicContact NH2-OD1 3.65Å; R792-D983 PolarHBondContact NH2-OD1 2.74Å; R792-D983 IonicContact NH2-OD2 2.6Å; R792-D983 PolarHBondContact NH2-OD2 2.89Å; R792-D985 IonicContact CZ-OD2 3.55Å; R792-D985 IonicContact NE-OD2 3.48Å; R792-D985 IonicContact NH2-OD2 3.02Å; R792-D985 PolarHBondContact NH2-OD2 2.03Å
793	P	74.3	Confident	64.1	Low	42 Å²	42	70.1 Å²	70.1	27%	0.273	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	163.1	-170.3	32.5	-37	0	0	0	116.2	F791 A830	F791-P793 HydrophobicContact CE1-CB 4.1Å; F791-P793 HydrophobicContact CZ-CB 4.02Å; P793-A830 CarbonylContact C-O 3.59Å; P793-A830 WeakPolarHBondContact CA-O 3.34Å
794	Q	74.5	Confident	63.5	Low	41 Å²	41	70.6 Å²	70.6	19%	0.192	35%	0.347	C	S	.	.	S	Bend	trans	-101.5	-30.1	-177.5	-169.3	176.6	18.1	0	0	115.3	A830 E851	Q794-A830 HydrophobicContact CB-CB 4.15Å; Q794-A830 WeakPolarHBondContact CB-O 3.44Å; Q794-A830 PolarHBondContact N-O 3.22Å; Q794-E851 PolarHBondContact NE2-OE1 3.27Å
795	Y	71.4	Confident	62.4	Low	28 Å²	28	76 Å²	76	11%	0.11	37%	0.371	C	S	.	.			trans	-128.1	102.4	-173	-59.7	-83.7	0	0	0	112.6	R827 A830 F854	Y795-R827 HydrophobicContact CD2-CG 4.01Å; Y795-R827 HydrophobicContact CG-CG 4.02Å; Y795-A830 HydrophobicContact CD2-CB 4.4Å; Y795-A830 HydrophobicContact CE2-CB 4.29Å; Y795-F854 HydrophobicContact CD1-CZ 4.39Å; Y795-F854 HydrophobicContact CD2-CE1 4.32Å; Y795-F854 HydrophobicContact CE1-CE1 4.15Å; Y795-F854 HydrophobicContact CE1-CZ 4.04Å; Y795-F854 AromaticContact CE2-CE1 3.83Å; Y795-F854 HydrophobicContact CE2-CE1 3.83Å; Y795-F854 HydrophobicContact CE2-CZ 4.49Å; Y795-F854 AromaticContact CZ-CE1 3.73Å
796	P	65.2	Low	61.1	Low	41 Å²	41	82.4 Å²	82.4	27%	0.266	40%	0.403	S	S	.	.			trans	-82.4	153.3	179.1	33.3	-34.6	0	0	0	112.9	Y981	P796-Y981 HydrophobicContact CG-CE1 4.46Å; P796-Y981 HydrophobicContact CG-CE2 4.43Å
797	E	58.6	Low	59.8	Low	104 Å²	104	80.2 Å²	80.2	49%	0.486	40%	0.395	S	S	.	.	S	Bend	trans	-83.4	-33.4	-173.2	-54.5	-161.1	100.1	0	0	114.2	R827 K828	E797-R827 IonicContact OE1-NH2 2.77Å; E797-K828 WeakPolarHBondContact OE1-CE 3.27Å; E797-K828 IonicContact OE1-NZ 2.77Å; E797-K828 PolarHBondContact OE1-NZ 2.93Å; E797-K828 IonicContact OE2-NZ 2.73Å; E797-K828 PolarHBondContact OE2-NZ 2.96Å
798	N	57.4	Low	58	Low	110 Å²	110	85 Å²	85	59%	0.588	42%	0.422	S	S	*	.			trans	-108.7	41.2	-170	-69.5	-5.5	0	0	0	114.3	M800 Q801 S802	N798-M800 VanDerWaalsContact C-N 3.28Å; N798-M800 PolarHBondContact O-N 3.2Å; N798-M800 VanDerWaalsContact O-N 3.09Å; N798-Q801 PolarHBondContact O-N 2.56Å; N798-S802 PolarHBondContact O-N 2.92Å; N798-S802 PolarHBondContact O-OG 3Å
799	W	55.5	Low	56.5	Low	46 Å²	46	86.7 Å²	86.7	17%	0.174	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.9	-169.2	70.5	-81.2	0	0	0	116.2	W881 F979 Y981	W799-W881 HydrophobicContact CB-CH2 4.47Å; W799-W881 AromaticContact CD1-CH2 3.31Å; W799-W881 AromaticContact CD1-CZ2 3.56Å; W799-W881 HydrophobicContact CD2-CZ2 4.15Å; W799-W881 AromaticContact CE2-CZ2 3.84Å; W799-W881 AromaticContact CG-CH2 3.9Å; W799-W881 HydrophobicContact CG-CH2 3.9Å; W799-W881 AromaticContact CG-CZ2 3.97Å; W799-W881 HydrophobicContact CG-CZ2 3.97Å; W799-W881 AromaticContact NE1-CH2 3.63Å; W799-W881 AromaticContact NE1-CZ2 3.45Å; W799-F979 AromaticContact CH2-CD1 3.8Å; W799-F979 HydrophobicContact CH2-CD1 3.8Å; W799-F979 HydrophobicContact CH2-CD2 4.23Å; W799-F979 AromaticContact CH2-CE1 3.93Å; W799-F979 HydrophobicContact CH2-CE1 3.93Å; W799-F979 HydrophobicContact CH2-CE2 4.35Å; W799-F979 AromaticContact CH2-CG 3.95Å; W799-F979 HydrophobicContact CH2-CG 3.95Å; W799-F979 HydrophobicContact CH2-CZ 4.21Å; W799-F979 HydrophobicContact CZ3-CB 4.22Å; W799-F979 AromaticContact CZ3-CD1 3.66Å; W799-F979 HydrophobicContact CZ3-CD1 3.66Å; W799-F979 HydrophobicContact CZ3-CE1 4.17Å; W799-F979 AromaticContact CZ3-CG 3.92Å; W799-F979 HydrophobicContact CZ3-CG 3.92Å; W799-Y981 HydrophobicContact CB-CD2 4.5Å; W799-Y981 HydrophobicContact CB-CE2 4.48Å
800	M	42.2	Very low	55	Low	122 Å²	122	90.2 Å²	90.2	60%	0.601	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.6	177.6	-71.6	-175.2	69.5	0	0	114.7	N798 P860	N798-M800 VanDerWaalsContact C-N 3.28Å; N798-M800 PolarHBondContact O-N 3.2Å; N798-M800 VanDerWaalsContact O-N 3.09Å; M800-P860 HydrophobicContact SD-CB 4.33Å; M800-P860 HydrophobicContact SD-CG 3.96Å
801	Q	47	Very low	53.5	Low	159 Å²	159	91.4 Å²	91.4	74%	0.743	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-13.1	-179.9	-72.9	-176.4	-16.4	0	0	113.4	N798 T803	N798-Q801 PolarHBondContact O-N 2.56Å; Q801-T803 PolarHBondContact O-N 2.83Å
802	S	43.1	Very low	52.2	Low	36 Å²	36	93.7 Å²	93.7	25%	0.252	47%	0.471	S	S	.	.			trans	-91.4	61.8	-173.9	60	0	0	0	0	113.4	N798 Y981	N798-S802 PolarHBondContact O-N 2.92Å; N798-S802 PolarHBondContact O-OG 3Å; S802-Y981 PolarHBondContact OG-OH 3.48Å
803	T	39.1	Very low	50.8	Low	122 Å²	122	98.5 Å²	98.5	75%	0.748	50%	0.5	S	S	*	.	S	Bend	trans	-85.7	-11.5	176.6	48	0	0	0	0	114.9	Q801	Q801-T803 PolarHBondContact O-N 2.83Å
804	N	37.7	Very low	49.5	Very low	153 Å²	153	104 Å²	104	82%	0.818	52%	0.524	S	S	*	.	S	Bend	trans	-156.1	61.9	-177.9	-83.8	-66.1	0	0	0	114
805	Q	36.4	Very low	48.3	Very low	167 Å²	167	109.3 Å²	109.3	78%	0.78	54%	0.543	S	S	*	.			trans	-142.9	138.7	167.5	-73	-168.6	-32.4	0	0	112.1
806	E	40.2	Very low	47.9	Very low	171 Å²	171	116.2 Å²	116.2	80%	0.799	57%	0.569	S	S	*	*			trans	-62.5	132.2	174.1	-64.2	178.5	144.4	0	0	110.6	L808	E806-L808 PolarHBondContact O-N 3.24Å
807	I	42.9	Very low	48.1	Very low	53 Å²	53	116.4 Å²	116.4	27%	0.272	57%	0.571	S	S	.	*			trans	-81.3	103.3	-178.3	-58.4	178.9	0	0	0	109	F809 Y981	I807-F809 PolarHBondContact O-N 3.44Å; I807-F809 VanDerWaalsContact O-N 3.07Å; I807-Y981 HydrophobicContact CD1-CE1 3.98Å
808	L	41.2	Very low	49.2	Very low	138 Å²	138	114.2 Å²	114.2	72%	0.723	56%	0.563	S	S	*	*			trans	-56.4	113.3	178.9	-169.1	75	0	0	0	111.2	E806 N810	E806-L808 PolarHBondContact O-N 3.24Å; L808-N810 PolarHBondContact O-N 3.09Å; L808-N810 VanDerWaalsContact O-N 3.11Å
809	F	47.1	Very low	50.4	Low	103 Å²	103	113.4 Å²	113.4	45%	0.452	55%	0.554	S	S	.	*			trans	-63.4	110.7	166.3	-80.8	-109.5	0	0	0	108.6	F791 R792 I807 E811 D985	F791-F809 WeakPolarHBondContact O-CD1 3.29Å; R792-F809 HydrophobicContact CB-CD1 3.98Å; R792-F809 HydrophobicContact CB-CE1 3.64Å; R792-F809 HydrophobicContact CB-CZ 4.35Å; R792-F809 VanDerWaalsContact CD-CZ 3.48Å; R792-F809 HydrophobicContact CG-CD1 4.11Å; R792-F809 HydrophobicContact CG-CE1 3.62Å; R792-F809 HydrophobicContact CG-CE2 4.45Å; R792-F809 HydrophobicContact CG-CZ 3.82Å; I807-F809 PolarHBondContact O-N 3.44Å; I807-F809 VanDerWaalsContact O-N 3.07Å; F809-E811 PolarHBondContact O-N 3.49Å; F809-D985 WeakPolarHBondContact CE2-OD2 3.19Å
810	N	48.5	Very low	51.7	Low	95 Å²	95	111.6 Å²	111.6	51%	0.508	55%	0.548	S	S	.	.			trans	-68.8	102.5	171.6	-77.5	-28	0	0	0	109.3	L808 L812	L808-N810 PolarHBondContact O-N 3.09Å; L808-N810 VanDerWaalsContact O-N 3.11Å; N810-L812 PolarHBondContact O-N 2.93Å; N810-L812 VanDerWaalsContact O-N 3.09Å
811	E	47.2	Very low	53.6	Low	136 Å²	136	109.7 Å²	109.7	64%	0.636	54%	0.539	S	S	*	.			trans	-60.9	113	167.9	-66	-158.6	140.1	0	0	109.2	F809 N813	F809-E811 PolarHBondContact O-N 3.49Å; E811-N813 PolarHBondContact O-N 2.7Å
812	L	54.5	Low	55.2	Low	61 Å²	61	102.7 Å²	102.7	32%	0.319	51%	0.507	S	S	.	.			trans	-68.1	99.2	172	-74.5	175.9	0	0	0	108.6	F791 N810 M814 L820 Y833	F791-L812 HydrophobicContact CB-CD1 3.61Å; F791-L812 HydrophobicContact CB-CG 3.85Å; F791-L812 HydrophobicContact CG-CD1 4.13Å; F791-L812 HydrophobicContact CG-CG 4.47Å; N810-L812 PolarHBondContact O-N 2.93Å; N810-L812 VanDerWaalsContact O-N 3.09Å; L812-M814 PolarHBondContact O-N 2.82Å; L812-M814 VanDerWaalsContact O-N 3.08Å; L812-L820 HydrophobicContact CD1-CD2 4.34Å; L812-Y833 HydrophobicContact CD1-CD1 4.2Å; L812-Y833 HydrophobicContact CD1-CE1 3.6Å
813	N	42.5	Very low	56.8	Low	141 Å²	141	105.8 Å²	105.8	75%	0.754	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	110	-168.2	-78.4	-56.5	0	0	0	114.5	E811 Y815	E811-N813 PolarHBondContact O-N 2.7Å; N813-Y815 PolarHBondContact O-N 2.68Å
814	M	46.7	Very low	58.5	Low	158 Å²	158	108.3 Å²	108.3	78%	0.778	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	56.5	149.5	-74.7	-179.3	44.6	0	0	118.4	L812 R816	L812-M814 PolarHBondContact O-N 2.82Å; L812-M814 VanDerWaalsContact O-N 3.08Å; M814-R816 PolarHBondContact O-N 2.8Å
815	Y	50.3	Low	60.2	Low	151 Å²	151	102.1 Å²	102.1	59%	0.592	49%	0.486	S	S	*	.			trans	-83.7	97.4	147.1	-74.7	-81.7	0	0	0	109.4	N813 S817 L820	N813-Y815 PolarHBondContact O-N 2.68Å; Y815-S817 PolarHBondContact O-N 2.91Å; Y815-L820 HydrophobicContact CD2-CD1 4.12Å
816	R	61.8	Low	62	Low	173 Å²	173	95.2 Å²	95.2	65%	0.653	46%	0.459	S	S	*	.			trans	-73.5	45.8	165.3	-77.7	-169	-178.7	159.3	3.5	111.4	M814	M814-R816 PolarHBondContact O-N 2.8Å
817	S	70.5	Confident	63.8	Low	46 Å²	46	89.1 Å²	89.1	32%	0.322	43%	0.429	S	S	.	.	S	Bend	trans	-122	148.6	176	179.9	0	0	0	0	107.7	W789 Y815 K819	W789-S817 PolarHBondContact NE1-O 3.02Å; Y815-S817 PolarHBondContact O-N 2.91Å; S817-K819 PolarHBondContact O-N 2.74Å; S817-K819 PolarHBondContact OG-N 3.11Å; S817-K819 VanDerWaalsContact OG-N 3.13Å
818	N	82.1	Confident	65.3	Low	57 Å²	57	92.7 Å²	92.7	31%	0.305	44%	0.443	S	S	.	.	S	Bend	trans	-68.6	5.6	166.5	71.8	-31.3	0	0	0	113	I742 C743 F787	I742-N818 CarbonylContact C-O 3.49Å; I742-N818 WeakPolarHBondContact CA-O 3.32Å; C743-N818 HydrophobicContact CB-CB 4.15Å; C743-N818 PolarHBondContact N-O 2.66Å; C743-N818 VanDerWaalsContact O-CB 3.26Å; C743-N818 WeakPolarHBondContact O-CB 3.21Å; C743-N818 PolarHBondContact O-ND2 3.41Å; F787-N818 HydrophobicContact CD1-CB 4Å; F787-N818 HydrophobicContact CD2-CB 3.98Å; F787-N818 HydrophobicContact CE1-CB 3.95Å; F787-N818 HydrophobicContact CE2-CB 3.93Å; F787-N818 HydrophobicContact CG-CB 4Å; F787-N818 HydrophobicContact CZ-CB 3.91Å
819	K	82	Confident	67.1	Low	93 Å²	93	89.2 Å²	89.2	40%	0.404	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	178.8	-176.9	178.6	-177	-170.4	0	112.2	T740 L741 I742 S817	T740-K819 HydrophobicContact CG2-CD 4.36Å; T740-K819 HydrophobicContact CG2-CG 4.02Å; L741-K819 CarbonylContact O-C 3.47Å; L741-K819 WeakPolarHBondContact O-CA 3.46Å; I742-K819 HydrophobicContact CG1-CB 4.47Å; I742-K819 HydrophobicContact CG1-CG 4.11Å; S817-K819 PolarHBondContact O-N 2.74Å; S817-K819 PolarHBondContact OG-N 3.11Å; S817-K819 VanDerWaalsContact OG-N 3.13Å
820	L	82.4	Confident	68.7	Low	8 Å²	8	84.3 Å²	84.3	4%	0.042	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.5	174.5	175.4	63	0	0	0	110	T740 L741 W789 L812 Y815 Y833	T740-L820 CarbonylContact C-O 3.53Å; T740-L820 WeakPolarHBondContact CA-O 3.41Å; L741-L820 HydrophobicContact CB-CB 4.37Å; L741-L820 HydrophobicContact CD1-CD2 4.06Å; L741-L820 HydrophobicContact CD1-CG 4.45Å; L741-L820 PolarHBondContact N-O 2.74Å; L741-L820 PolarHBondContact O-N 2.78Å; W789-L820 HydrophobicContact CB-CD2 4.11Å; W789-L820 HydrophobicContact CD2-CB 3.76Å; W789-L820 HydrophobicContact CD2-CD2 3.85Å; W789-L820 HydrophobicContact CD2-CG 4.44Å; W789-L820 HydrophobicContact CE3-CB 4.2Å; W789-L820 HydrophobicContact CE3-CD2 3.83Å; W789-L820 HydrophobicContact CG-CB 4.13Å; W789-L820 HydrophobicContact CG-CD2 3.98Å; W789-L820 HydrophobicContact CH2-CB 4.42Å; W789-L820 HydrophobicContact CZ2-CB 3.99Å; L812-L820 HydrophobicContact CD1-CD2 4.34Å; Y815-L820 HydrophobicContact CD2-CD1 4.12Å; L820-Y833 HydrophobicContact CD2-CD1 4.12Å; L820-Y833 HydrophobicContact CD2-CE1 4.46Å
821	I	82.5	Confident	70.3	Confident	82 Å²	82	79.8 Å²	79.8	42%	0.421	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.2	-177.9	-51.8	179.4	0	0	0	109.8	I739 T740	I739-I821 CarbonylContact O-C 2.83Å; I739-I821 WeakPolarHBondContact O-CA 3.09Å; T740-I821 HydrophobicContact CG2-CG1 4.28Å
822	L	80.6	Confident	72	Confident	12 Å²	12	75.3 Å²	75.3	6%	0.063	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.4	175.6	-57.5	172.5	0	0	0	109.3	S738 I739 Y833 L850	S738-L822 CarbonylContact C-O 3.48Å; S738-L822 WeakPolarHBondContact CA-O 3.29Å; S738-L822 VanDerWaalsContact CB-O 3.23Å; S738-L822 WeakPolarHBondContact CB-O 3.43Å; I739-L822 PolarHBondContact N-O 2.94Å; I739-L822 PolarHBondContact O-N 2.82Å; L822-Y833 HydrophobicContact CD1-CE1 3.86Å; L822-Y833 HydrophobicContact CD1-CE2 4.23Å; L822-Y833 WeakPolarHBondContact CD1-OH 3.34Å; L822-Y833 HydrophobicContact CD2-CE1 3.85Å; L822-Y833 HydrophobicContact CG-CE1 4.38Å; L822-L850 HydrophobicContact CD1-CD1 3.82Å
823	N	77.3	Confident	73.5	Confident	101 Å²	101	72.5 Å²	72.5	54%	0.54	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.1	179.9	-64.3	-34	0	0	0	110.2	N737 S738	N737-N823 WeakPolarHBondContact O-CA 3.29Å; S738-N823 WeakPolarHBondContact CB-OD1 3.33Å
824	Y	73.5	Confident	75.4	Confident	175 Å²	175	67 Å²	67	69%	0.686	31%	0.314	S	S	*	.	S	Bend	trans	46.7	58	-176.2	-54.7	-78.5	0	0	0	113.9	N737	N737-Y824 HydrophobicContact CB-CD1 3.96Å; N737-Y824 HydrophobicContact CB-CE1 3.73Å; N737-Y824 PolarHBondContact O-N 2.9Å
825	P	74.6	Confident	77.3	Confident	23 Å²	23	59.5 Å²	59.5	15%	0.149	28%	0.277	C	S	.	.			trans	-72.1	143.2	-177.3	32.9	-36.5	0	0	0	112.2	Q829 F852	P825-Q829 HydrophobicContact CB-CB 4.46Å; P825-F852 HydrophobicContact CB-CD1 3.72Å; P825-F852 HydrophobicContact CB-CD2 3.7Å; P825-F852 HydrophobicContact CB-CE1 3.67Å; P825-F852 HydrophobicContact CB-CE2 3.61Å; P825-F852 HydrophobicContact CB-CG 3.77Å; P825-F852 HydrophobicContact CB-CZ 3.6Å; P825-F852 HydrophobicContact CG-CD1 3.8Å; P825-F852 HydrophobicContact CG-CE1 3.75Å; P825-F852 HydrophobicContact CG-CG 4.3Å; P825-F852 HydrophobicContact CG-CZ 4.15Å
826	G	73.7	Confident	78.9	Confident	22 Å²	22	54.2 Å²	54.2	23%	0.227	26%	0.259	C	S	.	.			trans	-158.6	-162.9	-179.5	0	0	0	0	0	111.4	K828 Q829 A830	G826-K828 PolarHBondContact O-N 3.36Å; G826-Q829 PolarHBondContact O-N 2.91Å; G826-A830 PolarHBondContact O-N 3.22Å
827	R	78.5	Confident	79.8	Confident	44 Å²	44	46.2 Å²	46.2	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.2	-41.3	-172.8	-161.5	-172.8	84.7	174.4	6.4	115.3	Y795 E797 F854 E857	Y795-R827 HydrophobicContact CD2-CG 4.01Å; Y795-R827 HydrophobicContact CG-CG 4.02Å; E797-R827 IonicContact OE1-NH2 2.77Å; R827-F854 HydrophobicContact CB-CB 4.16Å; R827-F854 HydrophobicContact CB-CD1 3.94Å; R827-F854 HydrophobicContact CB-CD2 4.46Å; R827-F854 HydrophobicContact CB-CE1 4.46Å; R827-F854 HydrophobicContact CB-CG 3.95Å; R827-F854 HydrophobicContact CG-CD1 3.87Å; R827-F854 HydrophobicContact CG-CD2 4.16Å; R827-F854 HydrophobicContact CG-CE1 3.9Å; R827-F854 HydrophobicContact CG-CE2 4.19Å; R827-F854 HydrophobicContact CG-CG 4.02Å; R827-F854 HydrophobicContact CG-CZ 4.06Å; R827-E857 IonicContact CZ-OE2 2.79Å; R827-E857 IonicContact NE-OE2 3.2Å; R827-E857 IonicContact NH1-OE2 2.95Å; R827-E857 PolarHBondContact NH1-OE2 2.92Å
828	K	73.5	Confident	79.9	Confident	128 Å²	128	47.3 Å²	47.3	56%	0.557	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.1	-178.2	-59.6	-161.4	-178.8	-155.9	0	115.5	E797 G826	E797-K828 WeakPolarHBondContact OE1-CE 3.27Å; E797-K828 IonicContact OE1-NZ 2.77Å; E797-K828 PolarHBondContact OE1-NZ 2.93Å; E797-K828 IonicContact OE2-NZ 2.73Å; E797-K828 PolarHBondContact OE2-NZ 2.96Å; G826-K828 PolarHBondContact O-N 3.36Å
829	Q	78.3	Confident	79.2	Confident	65 Å²	65	45.3 Å²	45.3	30%	0.304	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-8.8	-177.1	-66.9	-175.2	11.4	0	0	113.9	F791 P825 G826 Y833 F852	F791-Q829 WeakPolarHBondContact CE2-O 3.47Å; F791-Q829 VanDerWaalsContact CZ-O 3.25Å; F791-Q829 WeakPolarHBondContact CZ-O 3.25Å; P825-Q829 HydrophobicContact CB-CB 4.46Å; G826-Q829 PolarHBondContact O-N 2.91Å; Q829-Y833 PolarHBondContact O-OH 2.86Å; Q829-Y833 VanDerWaalsContact O-OH 3.07Å; Q829-F852 HydrophobicContact CB-CD2 4.33Å; Q829-F852 HydrophobicContact CB-CE2 4.14Å; Q829-F852 WeakPolarHBondContact O-CE2 3.12Å
830	A	80.6	Confident	78.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.			trans	-65.2	133.3	176.2	0	0	0	0	0	110.2	P793 Q794 Y795 G826 L850 F852	P793-A830 CarbonylContact C-O 3.59Å; P793-A830 WeakPolarHBondContact CA-O 3.34Å; Q794-A830 HydrophobicContact CB-CB 4.15Å; Q794-A830 WeakPolarHBondContact CB-O 3.44Å; Q794-A830 PolarHBondContact N-O 3.22Å; Y795-A830 HydrophobicContact CD2-CB 4.4Å; Y795-A830 HydrophobicContact CE2-CB 4.29Å; G826-A830 PolarHBondContact O-N 3.22Å; A830-L850 CarbonylContact C-O 3.44Å; A830-L850 WeakPolarHBondContact CA-O 2.99Å; A830-F852 HydrophobicContact CB-CD2 3.8Å; A830-F852 HydrophobicContact CB-CE2 4.41Å
831	G	83.5	Confident	77.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-168.7	-171.1	0	0	0	0	0	117.1	R792 L850	R792-G831 CarbonylContact O-C 3.55Å; R792-G831 WeakPolarHBondContact O-CA 3.43Å; G831-L850 PolarHBondContact N-O 3.21Å; G831-L850 PolarHBondContact O-N 3Å
832	D	82.8	Confident	76.4	Confident	41 Å²	41	45.8 Å²	45.8	22%	0.219	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.6	-174	-61.4	-70.7	0	0	0	111.8	F791 R792 H849 R1000	F791-D832 CarbonylContact C-O 3.57Å; F791-D832 WeakPolarHBondContact CA-O 3.42Å; F791-D832 WeakPolarHBondContact CD2-O 3Å; R792-D832 HydrophobicContact CB-CB 4.27Å; R792-D832 PolarHBondContact N-O 3.08Å; R792-D832 PolarHBondContact O-N 3.48Å; D832-H849 VanDerWaalsContact CG-ND1 3.34Å; D832-H849 IonicContact OD1-CE1 3.93Å; D832-H849 IonicContact OD1-CG 2.71Å; D832-H849 IonicContact OD1-ND1 3.16Å; D832-H849 PolarHBondContact OD1-ND1 3.07Å; D832-H849 IonicContact OD2-ND1 3.46Å; D832-R1000 IonicContact OD2-CZ 3.63Å; D832-R1000 IonicContact OD2-NH1 2.7Å; D832-R1000 IonicContact OD2-NH2 3.5Å; D832-R1000 PolarHBondContact OD2-NH2 3.02Å
833	Y	85.9	Confident	75.8	Confident	3 Å²	3	49.5 Å²	49.5	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.6	-175	-71.8	-99	0	0	0	112.8	L741 K790 F791 L812 L820 L822 Q829 T847 S848 L850	L741-Y833 HydrophobicContact CD1-CD1 4.07Å; L741-Y833 HydrophobicContact CD1-CG 4.22Å; K790-Y833 WeakPolarHBondContact O-CA 3.31Å; F791-Y833 HydrophobicContact CB-CD1 4.34Å; F791-Y833 HydrophobicContact CB-CE1 4.21Å; F791-Y833 HydrophobicContact CD2-CD1 4.05Å; F791-Y833 AromaticContact CD2-CD2 3.86Å; F791-Y833 HydrophobicContact CD2-CD2 3.86Å; F791-Y833 AromaticContact CD2-CE1 3.61Å; F791-Y833 HydrophobicContact CD2-CE1 3.61Å; F791-Y833 AromaticContact CD2-CE2 3.38Å; F791-Y833 HydrophobicContact CD2-CE2 3.38Å; F791-Y833 HydrophobicContact CD2-CG 4.16Å; F791-Y833 AromaticContact CD2-CZ 3.23Å; F791-Y833 HydrophobicContact CE2-CD2 4.27Å; F791-Y833 HydrophobicContact CE2-CE1 4.32Å; F791-Y833 AromaticContact CE2-CE2 3.47Å; F791-Y833 HydrophobicContact CE2-CE2 3.47Å; F791-Y833 VanDerWaalsContact CE2-CE2 3.47Å; F791-Y833 AromaticContact CE2-CZ 3.5Å; F791-Y833 VanDerWaalsContact CE2-CZ 3.5Å; F791-Y833 WeakPolarHBondContact CE2-OH 3.32Å; F791-Y833 HydrophobicContact CG-CE1 4.11Å; L812-Y833 HydrophobicContact CD1-CD1 4.2Å; L812-Y833 HydrophobicContact CD1-CE1 3.6Å; L820-Y833 HydrophobicContact CD2-CD1 4.12Å; L820-Y833 HydrophobicContact CD2-CE1 4.46Å; L822-Y833 HydrophobicContact CD1-CE1 3.86Å; L822-Y833 HydrophobicContact CD1-CE2 4.23Å; L822-Y833 WeakPolarHBondContact CD1-OH 3.34Å; L822-Y833 HydrophobicContact CD2-CE1 3.85Å; L822-Y833 HydrophobicContact CG-CE1 4.38Å; Q829-Y833 PolarHBondContact O-OH 2.86Å; Q829-Y833 VanDerWaalsContact O-OH 3.07Å; Y833-T847 CarbonylContact O-C 3.5Å; Y833-T847 VanDerWaalsContact O-CA 3.27Å; Y833-T847 WeakPolarHBondContact O-CA 3.44Å; Y833-T847 WeakPolarHBondContact O-CG2 3.3Å; Y833-S848 PolarHBondContact N-O 2.84Å; Y833-S848 PolarHBondContact O-N 3.2Å; Y833-L850 HydrophobicContact CD2-CB 4.46Å; Y833-L850 HydrophobicContact CD2-CD1 3.81Å; Y833-L850 HydrophobicContact CD2-CG 4.11Å; Y833-L850 HydrophobicContact CE2-CB 4.27Å; Y833-L850 HydrophobicContact CE2-CD1 3.75Å; Y833-L850 HydrophobicContact CE2-CG 4.27Å
834	T	83.2	Confident	75.8	Confident	26 Å²	26	45.8 Å²	45.8	16%	0.16	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.3	-176	-58.8	0	0	0	0	113	W789 K790 V846 T847	W789-T834 CarbonylContact C-O 3.51Å; W789-T834 WeakPolarHBondContact CA-O 3.03Å; K790-T834 PolarHBondContact N-O 2.77Å; K790-T834 PolarHBondContact O-N 2.79Å; K790-T834 VanDerWaalsContact O-N 3.07Å; T834-V846 CarbonylContact C-O 3.56Å; T834-V846 WeakPolarHBondContact CA-O 3.27Å; T834-V846 WeakPolarHBondContact CG2-O 3.27Å; T834-T847 WeakPolarHBondContact CG2-OG1 3.27Å; T834-T847 WeakPolarHBondContact OG1-CG2 3.1Å; T834-T847 PolarHBondContact OG1-OG1 3.45Å
835	C	86.3	Confident	76.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146.7	166.4	168.6	0	0	0	0	110.9	L723 C743 Y788 W789 Q845 V846	L723-C835 HydrophobicContact CD1-CB 3.67Å; C743-C835 HydrophobicContact CB-CB 4.04Å; C743-C835 WeakPolarHBondContact CB-SG 3.18Å; C743-C835 WeakPolarHBondContact SG-CB 3.41Å; C743-C835 CovalentContact SG-SG 2.05Å; C743-C835 PolarHBondContact SG-SG 2.84Å; Y788-C835 WeakPolarHBondContact O-CA 3.25Å; W789-C835 HydrophobicContact CD2-CB 4.41Å; W789-C835 HydrophobicContact CE3-CB 4.12Å; W789-C835 HydrophobicContact CH2-CB 4.01Å; W789-C835 HydrophobicContact CZ2-CB 4.3Å; W789-C835 HydrophobicContact CZ3-CB 3.92Å; C835-Q845 CarbonylContact O-C 3.54Å; C835-Q845 VanDerWaalsContact O-CA 3.25Å; C835-Q845 WeakPolarHBondContact O-CA 3.31Å; C835-Q845 WeakPolarHBondContact O-CB 3.41Å; C835-V846 HydrophobicContact CB-CG1 3.98Å; C835-V846 PolarHBondContact N-O 3.45Å; C835-V846 PolarHBondContact O-N 2.78Å
836	L	82.3	Confident	76.9	Confident	39 Å²	39	44.6 Å²	44.6	20%	0.204	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.9	174.9	-155.6	107.4	0	0	0	111.7	F787 Y788 E838 T843 A844 Q845	F787-L836 CarbonylContact C-O 3.45Å; F787-L836 VanDerWaalsContact CA-O 3.28Å; F787-L836 WeakPolarHBondContact CA-O 3.45Å; Y788-L836 HydrophobicContact CD2-CB 4.5Å; Y788-L836 HydrophobicContact CD2-CD2 4Å; Y788-L836 PolarHBondContact N-O 3.28Å; Y788-L836 PolarHBondContact O-N 3.36Å; L836-E838 HydrophobicContact CD2-CB 4.42Å; L836-T843 HydrophobicContact CD2-CG2 4.47Å; L836-A844 CarbonylContact C-O 3.31Å; L836-A844 WeakPolarHBondContact CA-O 2.94Å; L836-Q845 HydrophobicContact CD1-CB 3.81Å; L836-Q845 HydrophobicContact CG-CB 4.42Å
837	L	80.8	Confident	77.4	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132	163	-175.7	82.4	0	0	0	109.5	L721 A745 W785 K786 F787 T843 A844	L721-L837 HydrophobicContact CD1-CB 3.73Å; L721-L837 HydrophobicContact CD2-CB 3.93Å; L721-L837 HydrophobicContact CD2-CD2 4.09Å; L721-L837 HydrophobicContact CG-CB 4.11Å; A745-L837 HydrophobicContact CB-CD2 3.93Å; W785-L837 HydrophobicContact CB-CD1 4.44Å; W785-L837 HydrophobicContact CE3-CD2 3.82Å; W785-L837 HydrophobicContact CE3-CG 4.11Å; W785-L837 HydrophobicContact CZ3-CD2 4.49Å; K786-L837 CarbonylContact O-C 3.58Å; K786-L837 VanDerWaalsContact O-CA 3.24Å; K786-L837 WeakPolarHBondContact O-CA 3.22Å; K786-L837 WeakPolarHBondContact O-CD1 3.36Å; F787-L837 HydrophobicContact CD1-CB 4.37Å; F787-L837 HydrophobicContact CD1-CD1 3.92Å; F787-L837 HydrophobicContact CD2-CD1 3.82Å; F787-L837 HydrophobicContact CE1-CB 4.32Å; F787-L837 HydrophobicContact CE1-CD1 3.8Å; F787-L837 HydrophobicContact CE2-CD1 3.7Å; F787-L837 HydrophobicContact CG-CD1 3.95Å; F787-L837 HydrophobicContact CZ-CD1 3.69Å; L837-T843 CarbonylContact O-C 3.6Å; L837-T843 WeakPolarHBondContact O-CA 3.37Å; L837-T843 WeakPolarHBondContact O-CB 3.32Å; L837-A844 PolarHBondContact N-O 2.93Å; L837-A844 PolarHBondContact O-N 3.04Å
838	E	72.9	Confident	77.5	Confident	70 Å²	70	47 Å²	47	33%	0.327	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.8	-175.9	175.8	-173.9	-124.6	0	0	111.4	W785 K786 Y788 L836 T843	W785-E838 CarbonylContact C-O 3.56Å; W785-E838 WeakPolarHBondContact CA-O 3.04Å; K786-E838 PolarHBondContact N-O 2.95Å; K786-E838 PolarHBondContact O-N 3.11Å; Y788-E838 HydrophobicContact CD2-CB 4.47Å; Y788-E838 HydrophobicContact CE2-CB 3.78Å; Y788-E838 HydrophobicContact CE2-CG 4.48Å; Y788-E838 VanDerWaalsContact CE2-OE2 3.3Å; Y788-E838 WeakPolarHBondContact CE2-OE2 3.02Å; Y788-E838 PolarHBondContact OH-OE2 3.11Å; L836-E838 HydrophobicContact CD2-CB 4.42Å; E838-T843 HydrophobicContact CB-CG2 4.2Å; E838-T843 HydrophobicContact CG-CG2 4.18Å
839	G	68.7	Low	78	Confident	14 Å²	14	44 Å²	44	14%	0.144	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	175	176.2	0	0	0	0	0	114	M784 T841 S842	M784-G839 CarbonylContact O-C 3.28Å; M784-G839 WeakPolarHBondContact O-CA 3.43Å; G839-T841 PolarHBondContact O-N 2.95Å; G839-S842 WeakPolarHBondContact CA-O 3.44Å; G839-S842 PolarHBondContact N-O 2.84Å
840	S	62.6	Low	78.1	Confident	73 Å²	73	41 Å²	41	51%	0.51	24%	0.239	S	C	.	.	S	Bend	trans	-61.3	-15.1	177.4	57.4	0	0	0	0	115.3	M784	M784-S840 PolarHBondContact O-N 3.06Å; M784-S840 VanDerWaalsContact O-N 3.13Å
841	T	59.7	Low	77.9	Confident	91 Å²	91	42.8 Å²	42.8	56%	0.558	25%	0.248	S	C	*	.	S	Bend	trans	-142.9	-3.4	178.9	66.2	0	0	0	0	115.4	Q603 G839	Q603-T841 PolarHBondContact OE1-OG1 2.8Å; G839-T841 PolarHBondContact O-N 2.95Å
842	S	65	Low	77.7	Confident	29 Å²	29	43 Å²	43	20%	0.203	25%	0.249	C	C	.	.			trans	-167.1	163.6	-175.3	44.3	0	0	0	0	112.8	P718 W785 G839	P718-S842 WeakPolarHBondContact CB-OG 3.33Å; W785-S842 WeakPolarHBondContact CZ3-O 3.46Å; G839-S842 WeakPolarHBondContact CA-O 3.44Å; G839-S842 PolarHBondContact N-O 2.84Å
843	T	68.5	Low	77.3	Confident	91 Å²	91	43.5 Å²	43.5	56%	0.558	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.6	-175.7	61.9	0	0	0	0	112	L836 L837 E838	L836-T843 HydrophobicContact CD2-CG2 4.47Å; L837-T843 CarbonylContact O-C 3.6Å; L837-T843 WeakPolarHBondContact O-CA 3.37Å; L837-T843 WeakPolarHBondContact O-CB 3.32Å; E838-T843 HydrophobicContact CB-CG2 4.2Å; E838-T843 HydrophobicContact CG-CG2 4.18Å
844	A	77.8	Confident	76.8	Confident	22 Å²	22	44.1 Å²	44.1	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155	170.8	0	0	0	0	0	110.6	L721 L836 L837	L721-A844 HydrophobicContact CB-CB 4.3Å; L721-A844 VanDerWaalsContact CD1-C 3.48Å; L721-A844 HydrophobicContact CD1-CB 3.69Å; L721-A844 WeakPolarHBondContact CD1-O 3.15Å; L721-A844 HydrophobicContact CG-CB 3.7Å; L836-A844 CarbonylContact C-O 3.31Å; L836-A844 WeakPolarHBondContact CA-O 2.94Å; L837-A844 PolarHBondContact N-O 2.93Å; L837-A844 PolarHBondContact O-N 3.04Å
845	Q	85	Confident	76.4	Confident	133 Å²	133	43.4 Å²	43.4	62%	0.621	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.6	166.2	-175.2	71.4	175.9	8.4	0	0	114.6	C835 L836	C835-Q845 CarbonylContact O-C 3.54Å; C835-Q845 VanDerWaalsContact O-CA 3.25Å; C835-Q845 WeakPolarHBondContact O-CA 3.31Å; C835-Q845 WeakPolarHBondContact O-CB 3.41Å; L836-Q845 HydrophobicContact CD1-CB 3.81Å; L836-Q845 HydrophobicContact CG-CB 4.42Å
846	V	84.6	Confident	76	Confident	40 Å²	40	43.6 Å²	43.6	24%	0.242	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	145.7	179.3	54.7	0	0	0	0	112.5	L723 T834 C835	L723-V846 HydrophobicContact CB-CB 4.34Å; L723-V846 HydrophobicContact CB-CG1 3.72Å; L723-V846 HydrophobicContact CB-CG2 3.64Å; L723-V846 HydrophobicContact CD1-CG1 3.98Å; L723-V846 HydrophobicContact CD2-CG1 4.36Å; L723-V846 HydrophobicContact CD2-CG2 4.15Å; L723-V846 HydrophobicContact CG-CG1 4.24Å; L723-V846 HydrophobicContact CG-CG2 4.47Å; T834-V846 CarbonylContact C-O 3.56Å; T834-V846 WeakPolarHBondContact CA-O 3.27Å; T834-V846 WeakPolarHBondContact CG2-O 3.27Å; C835-V846 HydrophobicContact CB-CG1 3.98Å; C835-V846 PolarHBondContact N-O 3.45Å; C835-V846 PolarHBondContact O-N 2.78Å
847	T	84.6	Confident	75.8	Confident	77 Å²	77	45.2 Å²	45.2	47%	0.472	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.1	-166.2	-57.9	0	0	0	0	113.7	Y833 T834	Y833-T847 CarbonylContact O-C 3.5Å; Y833-T847 VanDerWaalsContact O-CA 3.27Å; Y833-T847 WeakPolarHBondContact O-CA 3.44Å; Y833-T847 WeakPolarHBondContact O-CG2 3.3Å; T834-T847 WeakPolarHBondContact CG2-OG1 3.27Å; T834-T847 WeakPolarHBondContact OG1-CG2 3.1Å; T834-T847 PolarHBondContact OG1-OG1 3.45Å
848	S	81.8	Confident	75.3	Confident	39 Å²	39	47 Å²	47	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	161.7	171.9	-157.4	0	0	0	0	114	I725 Y833	I725-S848 WeakPolarHBondContact CD1-OG 3.46Å; Y833-S848 PolarHBondContact N-O 2.84Å; Y833-S848 PolarHBondContact O-N 3.2Å
849	H	82.2	Confident	74.9	Confident	65 Å²	65	43.9 Å²	43.9	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.4	-175.1	-172.9	85	0	0	0	112.9	D832	D832-H849 VanDerWaalsContact CG-ND1 3.34Å; D832-H849 IonicContact OD1-CE1 3.93Å; D832-H849 IonicContact OD1-CG 2.71Å; D832-H849 IonicContact OD1-ND1 3.16Å; D832-H849 PolarHBondContact OD1-ND1 3.07Å; D832-H849 IonicContact OD2-ND1 3.46Å
850	L	81.4	Confident	74.5	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.5	-178.3	-58.3	178.6	0	0	0	112.3	R733 I739 L822 A830 G831 Y833 F852	R733-L850 VanDerWaalsContact NH1-CD2 3.25Å; I739-L850 HydrophobicContact CG2-CD1 4.4Å; L822-L850 HydrophobicContact CD1-CD1 3.82Å; A830-L850 CarbonylContact C-O 3.44Å; A830-L850 WeakPolarHBondContact CA-O 2.99Å; G831-L850 PolarHBondContact N-O 3.21Å; G831-L850 PolarHBondContact O-N 3Å; Y833-L850 HydrophobicContact CD2-CB 4.46Å; Y833-L850 HydrophobicContact CD2-CD1 3.81Å; Y833-L850 HydrophobicContact CD2-CG 4.11Å; Y833-L850 HydrophobicContact CE2-CB 4.27Å; Y833-L850 HydrophobicContact CE2-CD1 3.75Å; Y833-L850 HydrophobicContact CE2-CG 4.27Å; L850-F852 HydrophobicContact CB-CE1 4.38Å; L850-F852 HydrophobicContact CB-CE2 4.28Å; L850-F852 HydrophobicContact CB-CZ 3.72Å; L850-F852 HydrophobicContact CD1-CZ 4.23Å
851	E	76.6	Confident	74.1	Confident	39 Å²	39	48.2 Å²	48.2	18%	0.182	28%	0.28	C	S	.	.			trans	-119.5	153.9	174.9	-61.3	-166.6	135.7	0	0	111.9	L734 Q794 Y883	L734-E851 WeakPolarHBondContact CD2-O 3.01Å; Q794-E851 PolarHBondContact NE2-OE1 3.27Å; E851-Y883 HydrophobicContact CB-CE1 4.28Å; E851-Y883 PolarHBondContact OE2-OH 3.01Å
852	F	78.1	Confident	73.7	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	29%	0.289	C	S	.	.			trans	-139.8	144.8	-176.2	-53.5	-57.3	0	0	0	113.1	I739 P825 Q829 A830 L850 Y883	I739-F852 HydrophobicContact CD1-CE1 3.54Å; I739-F852 HydrophobicContact CD1-CZ 4.13Å; P825-F852 HydrophobicContact CB-CD1 3.72Å; P825-F852 HydrophobicContact CB-CD2 3.7Å; P825-F852 HydrophobicContact CB-CE1 3.67Å; P825-F852 HydrophobicContact CB-CE2 3.61Å; P825-F852 HydrophobicContact CB-CG 3.77Å; P825-F852 HydrophobicContact CB-CZ 3.6Å; P825-F852 HydrophobicContact CG-CD1 3.8Å; P825-F852 HydrophobicContact CG-CE1 3.75Å; P825-F852 HydrophobicContact CG-CG 4.3Å; P825-F852 HydrophobicContact CG-CZ 4.15Å; Q829-F852 HydrophobicContact CB-CD2 4.33Å; Q829-F852 HydrophobicContact CB-CE2 4.14Å; Q829-F852 WeakPolarHBondContact O-CE2 3.12Å; A830-F852 HydrophobicContact CB-CD2 3.8Å; A830-F852 HydrophobicContact CB-CE2 4.41Å; L850-F852 HydrophobicContact CB-CE1 4.38Å; L850-F852 HydrophobicContact CB-CE2 4.28Å; L850-F852 HydrophobicContact CB-CZ 3.72Å; L850-F852 HydrophobicContact CD1-CZ 4.23Å; F852-Y883 WeakPolarHBondContact O-CD1 3.4Å
853	T	74.6	Confident	72.9	Confident	51 Å²	51	53.2 Å²	53.2	31%	0.313	32%	0.317	S	S	.	.			trans	-70	149.7	177.3	50.5	0	0	0	0	113	L734 Y883	L734-T853 HydrophobicContact CB-CG2 4.4Å; L734-T853 HydrophobicContact CD2-CG2 4.11Å; T853-Y883 CarbonylContact C-O 3.5Å; T853-Y883 VanDerWaalsContact CA-O 3.28Å; T853-Y883 WeakPolarHBondContact CA-O 3.43Å; T853-Y883 WeakPolarHBondContact CB-O 3.32Å
854	F	76.2	Confident	72.3	Confident	16 Å²	16	51 Å²	51	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	152.1	170.6	61.9	-87	0	0	0	112.4	Y795 R827 W881 Y883 Y1028	Y795-F854 HydrophobicContact CD1-CZ 4.39Å; Y795-F854 HydrophobicContact CD2-CE1 4.32Å; Y795-F854 HydrophobicContact CE1-CE1 4.15Å; Y795-F854 HydrophobicContact CE1-CZ 4.04Å; Y795-F854 AromaticContact CE2-CE1 3.83Å; Y795-F854 HydrophobicContact CE2-CE1 3.83Å; Y795-F854 HydrophobicContact CE2-CZ 4.49Å; Y795-F854 AromaticContact CZ-CE1 3.73Å; R827-F854 HydrophobicContact CB-CB 4.16Å; R827-F854 HydrophobicContact CB-CD1 3.94Å; R827-F854 HydrophobicContact CB-CD2 4.46Å; R827-F854 HydrophobicContact CB-CE1 4.46Å; R827-F854 HydrophobicContact CB-CG 3.95Å; R827-F854 HydrophobicContact CG-CD1 3.87Å; R827-F854 HydrophobicContact CG-CD2 4.16Å; R827-F854 HydrophobicContact CG-CE1 3.9Å; R827-F854 HydrophobicContact CG-CE2 4.19Å; R827-F854 HydrophobicContact CG-CG 4.02Å; R827-F854 HydrophobicContact CG-CZ 4.06Å; F854-W881 HydrophobicContact CE2-CB 4.25Å; F854-Y883 HydrophobicContact CE1-CG 4.45Å; F854-Y883 PolarHBondContact N-O 2.77Å; F854-Y883 PolarHBondContact O-N 3.45Å; F854-Y883 VanDerWaalsContact O-N 3.11Å; F854-Y1028 PolarHBondContact O-OH 3.03Å
855	A	75.1	Confident	71.6	Confident	11 Å²	11	53 Å²	53	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	164.9	-176.8	0	0	0	0	0	113.9	E857 E1030	A855-E857 PolarHBondContact O-N 2.86Å; A855-E1030 WeakPolarHBondContact CB-OE2 3.16Å
856	P	78	Confident	70.6	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	126.3	169.1	-27.2	34.6	0	0	0	113.4	I880 W881 L1026 Y1028 K1033 F1035	P856-I880 HydrophobicContact CB-CG2 3.91Å; P856-W881 CarbonylContact C-O 3.5Å; P856-W881 VanDerWaalsContact CA-O 3.27Å; P856-W881 WeakPolarHBondContact CA-O 3.26Å; P856-L1026 HydrophobicContact CB-CD1 4.48Å; P856-Y1028 VanDerWaalsContact CD-CG 3.4Å; P856-Y1028 HydrophobicContact CG-CD1 4.11Å; P856-Y1028 HydrophobicContact CG-CD2 3.6Å; P856-Y1028 HydrophobicContact CG-CE2 4.07Å; P856-Y1028 HydrophobicContact CG-CG 3.61Å; P856-K1033 HydrophobicContact CB-CB 4.44Å; P856-K1033 HydrophobicContact CB-CG 4.16Å; P856-K1033 HydrophobicContact CG-CG 4.28Å; P856-F1035 HydrophobicContact CB-CE2 4.4Å; P856-F1035 HydrophobicContact CB-CZ 3.99Å
857	E	76.9	Confident	69.6	Low	73 Å²	73	49.7 Å²	49.7	34%	0.341	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.9	-179.3	-69.8	175.5	158.2	0	0	110.6	R827 A855 I880 W881	R827-E857 IonicContact CZ-OE2 2.79Å; R827-E857 IonicContact NE-OE2 3.2Å; R827-E857 IonicContact NH1-OE2 2.95Å; R827-E857 PolarHBondContact NH1-OE2 2.92Å; A855-E857 PolarHBondContact O-N 2.86Å; E857-I880 CarbonylContact O-C 3.46Å; E857-I880 VanDerWaalsContact O-CA 3.31Å; E857-I880 WeakPolarHBondContact O-CA 3.28Å; E857-W881 PolarHBondContact N-O 3.47Å; E857-W881 PolarHBondContact O-N 3.32Å
858	L	70.7	Confident	68.5	Low	44 Å²	44	46.3 Å²	46.3	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.1	-177.6	-163.2	82.8	0	0	0	111.2	T864 L878 I880 F1035	L858-T864 HydrophobicContact CD2-CG2 3.91Å; L858-L878 HydrophobicContact CD1-CD2 4.08Å; L858-I880 HydrophobicContact CD1-CG1 4.07Å; L858-F1035 HydrophobicContact CB-CD1 4.22Å; L858-F1035 HydrophobicContact CB-CE1 4.2Å; L858-F1035 HydrophobicContact CD1-CD1 3.9Å; L858-F1035 HydrophobicContact CD1-CE1 4.47Å
859	A	65.7	Low	67.4	Low	3 Å²	3	44.9 Å²	44.9	3%	0.025	28%	0.276	C	S	.	.	S	Bend	trans	-138	106.5	-174.4	0	0	0	0	0	112.2	H879 W881	A859-H879 PolarHBondContact N-O 3.21Å; A859-H879 WeakPolarHBondContact O-CB 3.26Å; A859-W881 HydrophobicContact CB-CD2 3.7Å; A859-W881 HydrophobicContact CB-CE3 4.22Å; A859-W881 HydrophobicContact CB-CG 3.92Å; A859-W881 HydrophobicContact CB-CZ2 4.27Å
860	P	59.4	Low	66.7	Low	66 Å²	66	45.3 Å²	45.3	43%	0.429	28%	0.282	S	S	.	.	S	Bend	cis	-78.3	153.7	4.8	32.6	-36.5	0	0	0	113.6	M800	M800-P860 HydrophobicContact SD-CB 4.33Å; M800-P860 HydrophobicContact SD-CG 3.96Å
861	P	54.3	Low	65.6	Low	112 Å²	112	47.4 Å²	47.4	73%	0.727	31%	0.305	S	S	*	.			trans	-75.5	130.6	170.2	30.9	-33.4	0	0	0	111.2
862	G	50.5	Low	64.7	Low	74 Å²	74	47.1 Å²	47.1	76%	0.763	31%	0.307	S	S	*	.	S	Bend	trans	135.8	-12.2	156.9	0	0	0	0	0	119.2
863	I	49.6	Very low	64.1	Low	151 Å²	151	53.8 Å²	53.8	77%	0.774	34%	0.338	S	S	*	.			trans	-131.8	120.7	-176.7	-54.7	177.1	0	0	0	110.4
864	T	56.4	Low	63.7	Low	45 Å²	45	52.4 Å²	52.4	28%	0.276	33%	0.329	S	S	.	.			trans	-146.1	39.1	178.9	63	0	0	0	0	114.7	L858 F1036 M1037 Q1038	L858-T864 HydrophobicContact CD2-CG2 3.91Å; T864-F1036 WeakPolarHBondContact CB-O 2.91Å; T864-F1036 WeakPolarHBondContact CG2-O 3.3Å; T864-F1036 PolarHBondContact OG1-O 3.07Å; T864-M1037 CarbonylContact O-C 3.59Å; T864-M1037 WeakPolarHBondContact O-CA 3.15Å; T864-Q1038 PolarHBondContact O-N 2.88Å
865	S	61.1	Low	63.6	Low	65 Å²	65	54.8 Å²	54.8	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.6	171.5	53	0	0	0	0	112.6	Q1038	S865-Q1038 CarbonylContact C-O 3.17Å; S865-Q1038 VanDerWaalsContact CA-O 3.3Å; S865-Q1038 WeakPolarHBondContact CA-O 3.3Å
866	V	64.9	Low	63.5	Low	39 Å²	39	54.4 Å²	54.4	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.8	179.9	168	0	0	0	0	109.9	T874 M1037 Q1038 V1039 Q1040	V866-T874 HydrophobicContact CG1-CG2 3.86Å; V866-M1037 HydrophobicContact CB-CE 4.36Å; V866-M1037 HydrophobicContact CB-SD 4.37Å; V866-M1037 HydrophobicContact CG2-CE 3.68Å; V866-M1037 HydrophobicContact CG2-SD 4.31Å; V866-Q1038 PolarHBondContact N-O 2.98Å; V866-V1039 WeakPolarHBondContact O-CA 3.23Å; V866-Q1040 PolarHBondContact O-N 2.72Å
867	T	62.7	Low	63.5	Low	63 Å²	63	58.8 Å²	58.8	39%	0.387	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.8	171.7	40.3	0	0	0	0	110.8	Q1040	T867-Q1040 WeakPolarHBondContact CA-O 3.12Å; T867-Q1040 HydrophobicContact CG2-CG 3.81Å
868	A	62.2	Low	63.5	Low	6 Å²	6	55.6 Å²	55.6	5%	0.05	35%	0.347	C	S	.	.			trans	-150.7	148	178	0	0	0	0	0	111.8	T874 I1014 Y1019 Q1040 P1042	A868-T874 HydrophobicContact CB-CG2 4.29Å; A868-I1014 HydrophobicContact CB-CD1 3.48Å; A868-I1014 VanDerWaalsContact CB-CD1 3.48Å; A868-Y1019 WeakPolarHBondContact O-CE1 3.4Å; A868-Y1019 PolarHBondContact O-OH 2.78Å; A868-Q1040 PolarHBondContact N-O 3.3Å; A868-P1042 VanDerWaalsContact O-CD 3.26Å; A868-P1042 WeakPolarHBondContact O-CD 3.36Å
869	A	59.2	Low	63.8	Low	10 Å²	10	56 Å²	56	8%	0.083	35%	0.347	C	S	.	.			trans	-94.1	151.6	-179.5	0	0	0	0	0	112.2	G871 S872 Y1019 L1264	A869-G871 PolarHBondContact O-N 3.48Å; A869-S872 PolarHBondContact N-OG 2.87Å; A869-S872 VanDerWaalsContact O-CB 3.29Å; A869-S872 WeakPolarHBondContact O-CB 3.49Å; A869-S872 PolarHBondContact O-N 2.71Å; A869-S872 PolarHBondContact O-OG 2.74Å; A869-Y1019 WeakPolarHBondContact CA-OH 3.16Å; A869-L1264 HydrophobicContact CB-CD2 3.97Å
870	V	66.2	Low	64.4	Low	73 Å²	73	55.9 Å²	55.9	44%	0.442	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	129	170	179.8	0	0	0	0	109.3	E1016 Y1019	V870-E1016 HydrophobicContact CG2-CG 3.9Å; V870-Y1019 HydrophobicContact CG2-CE2 3.75Å; V870-Y1019 PolarHBondContact N-OH 3.27Å; V870-Y1019 VanDerWaalsContact N-OH 3.11Å
871	G	59.7	Low	65.3	Low	47 Å²	47	53.3 Å²	53.3	49%	0.485	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-9.4	-173.4	0	0	0	0	0	115.5	A869 I1014	A869-G871 PolarHBondContact O-N 3.48Å; G871-I1014 PolarHBondContact N-O 3.2Å
872	S	56.8	Low	66.5	Low	32 Å²	32	48.4 Å²	48.4	22%	0.224	30%	0.297	C	S	.	.			trans	-79.2	155.3	179.8	66.7	0	0	0	0	113.3	A869 P1013 I1014	A869-S872 PolarHBondContact N-OG 2.87Å; A869-S872 VanDerWaalsContact O-CB 3.29Å; A869-S872 WeakPolarHBondContact O-CB 3.49Å; A869-S872 PolarHBondContact O-N 2.71Å; A869-S872 PolarHBondContact O-OG 2.74Å; S872-P1013 CarbonylContact O-C 3.53Å; S872-P1013 WeakPolarHBondContact O-CA 2.87Å; S872-I1014 PolarHBondContact O-N 3.46Å
873	H	66.4	Low	67.6	Low	144 Å²	144	47.8 Å²	47.8	67%	0.667	27%	0.272	S	S	*	.			trans	-97	127.3	168.8	-57.8	-94.3	0	0	0	108.1	S1012	H873-S1012 PolarHBondContact CE1-OG 2.96Å; H873-S1012 PolarHBondContact ND1-OG 3.49Å
874	T	66	Low	68.6	Low	22 Å²	22	43.6 Å²	43.6	14%	0.135	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.9	-172.6	-57.7	0	0	0	0	111.1	V866 A868 L1011 I1014	V866-T874 HydrophobicContact CG1-CG2 3.86Å; A868-T874 HydrophobicContact CB-CG2 4.29Å; T874-L1011 PolarHBondContact N-O 2.94Å; T874-L1011 PolarHBondContact O-N 2.88Å; T874-I1014 HydrophobicContact CG2-CD1 4.27Å; T874-I1014 WeakPolarHBondContact OG1-CD1 3.12Å
875	V	73.8	Confident	69.2	Low	67 Å²	67	43.7 Å²	43.7	41%	0.406	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.9	174.8	-167.6	0	0	0	0	108.6	E877 R1008 L1009 F1010	V875-E877 HydrophobicContact CG1-CG 4.26Å; V875-R1008 HydrophobicContact CG1-CB 4.47Å; V875-L1009 WeakPolarHBondContact CA-O 3.3Å; V875-F1010 HydrophobicContact CB-CD1 4.28Å; V875-F1010 HydrophobicContact CB-CE1 4.37Å; V875-F1010 HydrophobicContact CG1-CD1 3.89Å; V875-F1010 HydrophobicContact CG1-CD2 4.44Å; V875-F1010 HydrophobicContact CG1-CE1 3.72Å; V875-F1010 HydrophobicContact CG1-CE2 4.3Å; V875-F1010 HydrophobicContact CG1-CG 4.24Å; V875-F1010 HydrophobicContact CG1-CZ 3.93Å; V875-F1010 HydrophobicContact CG2-CD1 3.48Å; V875-F1010 VanDerWaalsContact CG2-CD1 3.48Å; V875-F1010 HydrophobicContact CG2-CE1 3.65Å; V875-F1010 HydrophobicContact CG2-CG 4.36Å
876	I	74	Confident	69.4	Low	2 Å²	2	41.4 Å²	41.4	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129	176.5	-67.1	156.7	0	0	0	107.1	W927 R1008 L1009 L1011 M1037 V1039	I876-W927 HydrophobicContact CG2-CH2 3.83Å; I876-W927 HydrophobicContact CG2-CZ3 4.31Å; I876-R1008 CarbonylContact O-C 3.53Å; I876-R1008 WeakPolarHBondContact O-CA 3.47Å; I876-L1009 HydrophobicContact CB-CB 4.3Å; I876-L1009 HydrophobicContact CD1-CD2 3.94Å; I876-L1009 HydrophobicContact CD1-CG 4.24Å; I876-L1009 PolarHBondContact N-O 3.01Å; I876-L1009 PolarHBondContact O-N 3.12Å; I876-L1011 HydrophobicContact CD1-CD1 3.97Å; I876-M1037 HydrophobicContact CB-CE 4.49Å; I876-M1037 HydrophobicContact CD1-SD 4.13Å; I876-M1037 HydrophobicContact CG1-CE 4.3Å; I876-M1037 HydrophobicContact CG1-SD 4.22Å; I876-M1037 HydrophobicContact CG2-CE 3.52Å; I876-M1037 HydrophobicContact CG2-CG 4.08Å; I876-M1037 HydrophobicContact CG2-SD 4.06Å; I876-V1039 HydrophobicContact CD1-CG2 3.48Å; I876-V1039 VanDerWaalsContact CD1-CG2 3.48Å; I876-V1039 HydrophobicContact CG1-CG2 4.48Å
877	E	76.6	Confident	69.1	Low	96 Å²	96	45.2 Å²	45.2	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.3	179.6	-55.6	-162.9	142.9	0	0	110.7	V875 V1006 Y1007 R1008	V875-E877 HydrophobicContact CG1-CG 4.26Å; E877-V1006 HydrophobicContact CB-CG1 3.86Å; E877-V1006 HydrophobicContact CG-CG1 4.44Å; E877-Y1007 CarbonylContact C-O 3.57Å; E877-Y1007 WeakPolarHBondContact CA-O 3.26Å; E877-R1008 HydrophobicContact CB-CG 4.41Å; E877-R1008 HydrophobicContact CG-CG 3.91Å; E877-R1008 WeakPolarHBondContact OE1-CD 3.49Å; E877-R1008 IonicContact OE1-CZ 3.01Å; E877-R1008 IonicContact OE1-NE 3.91Å; E877-R1008 IonicContact OE1-NH1 2.65Å; E877-R1008 PolarHBondContact OE1-NH1 2.78Å
878	L	76.6	Confident	68.8	Low	7 Å²	7	44.4 Å²	44.4	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	113.3	178.6	-72.8	176.2	0	0	0	110.8	L858 W927 V1006 Y1007 C1024 F1035	L858-L878 HydrophobicContact CD1-CD2 4.08Å; L878-W927 HydrophobicContact CD1-CH2 3.37Å; L878-W927 HydrophobicContact CD1-CZ2 3.89Å; L878-W927 HydrophobicContact CD1-CZ3 4.04Å; L878-W927 HydrophobicContact CG-CH2 3.85Å; L878-W927 HydrophobicContact CG-CZ2 4.39Å; L878-V1006 VanDerWaalsContact O-CA 3.3Å; L878-V1006 WeakPolarHBondContact O-CA 3.43Å; L878-Y1007 PolarHBondContact N-O 3.31Å; L878-Y1007 PolarHBondContact O-N 2.94Å; L878-C1024 HydrophobicContact CD1-CB 3.49Å; L878-C1024 VanDerWaalsContact CD1-CB 3.49Å; L878-F1035 HydrophobicContact CD1-CB 4.1Å
879	H	77.8	Confident	68.3	Low	51 Å²	51	46 Å²	46	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.8	-177.3	-69.9	-149.6	0	0	0	111.4	A859 T1004 I1005	A859-H879 PolarHBondContact N-O 3.21Å; A859-H879 WeakPolarHBondContact O-CB 3.26Å; H879-T1004 HydrophobicContact CB-CG2 4.38Å; H879-I1005 CarbonylContact C-O 3.56Å; H879-I1005 WeakPolarHBondContact CA-O 3.49Å
880	I	78.5	Confident	67.8	Low	2 Å²	2	51.7 Å²	51.7	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.2	-167.3	-67.9	176	0	0	0	112.2	P856 E857 L858 I1005 Y1007 L1026 F1035	P856-I880 HydrophobicContact CB-CG2 3.91Å; E857-I880 CarbonylContact O-C 3.46Å; E857-I880 VanDerWaalsContact O-CA 3.31Å; E857-I880 WeakPolarHBondContact O-CA 3.28Å; L858-I880 HydrophobicContact CD1-CG1 4.07Å; I880-I1005 PolarHBondContact N-O 3.17Å; I880-I1005 PolarHBondContact O-N 2.88Å; I880-Y1007 HydrophobicContact CD1-CD2 3.97Å; I880-Y1007 HydrophobicContact CD1-CE2 4.09Å; I880-L1026 HydrophobicContact CD1-CD1 3.65Å; I880-L1026 HydrophobicContact CG2-CD1 4.35Å; I880-F1035 HydrophobicContact CD1-CD1 4.07Å; I880-F1035 HydrophobicContact CD1-CD2 3.71Å; I880-F1035 HydrophobicContact CD1-CE1 3.98Å; I880-F1035 HydrophobicContact CD1-CE2 3.63Å; I880-F1035 HydrophobicContact CD1-CG 3.93Å; I880-F1035 HydrophobicContact CD1-CZ 3.76Å; I880-F1035 HydrophobicContact CG1-CE1 4.29Å; I880-F1035 HydrophobicContact CG1-CZ 4.34Å; I880-F1035 HydrophobicContact CG2-CZ 4.45Å
881	W	78.9	Confident	66.7	Low	12 Å²	12	51.8 Å²	51.8	5%	0.045	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.1	173.4	-69.2	-13.9	0	0	0	111.5	W799 F854 P856 E857 A859 I1002 T1004	W799-W881 HydrophobicContact CB-CH2 4.47Å; W799-W881 AromaticContact CD1-CH2 3.31Å; W799-W881 AromaticContact CD1-CZ2 3.56Å; W799-W881 HydrophobicContact CD2-CZ2 4.15Å; W799-W881 AromaticContact CE2-CZ2 3.84Å; W799-W881 AromaticContact CG-CH2 3.9Å; W799-W881 HydrophobicContact CG-CH2 3.9Å; W799-W881 AromaticContact CG-CZ2 3.97Å; W799-W881 HydrophobicContact CG-CZ2 3.97Å; W799-W881 AromaticContact NE1-CH2 3.63Å; W799-W881 AromaticContact NE1-CZ2 3.45Å; F854-W881 HydrophobicContact CE2-CB 4.25Å; P856-W881 CarbonylContact C-O 3.5Å; P856-W881 VanDerWaalsContact CA-O 3.27Å; P856-W881 WeakPolarHBondContact CA-O 3.26Å; E857-W881 PolarHBondContact N-O 3.47Å; E857-W881 PolarHBondContact O-N 3.32Å; A859-W881 HydrophobicContact CB-CD2 3.7Å; A859-W881 HydrophobicContact CB-CE3 4.22Å; A859-W881 HydrophobicContact CB-CG 3.92Å; A859-W881 HydrophobicContact CB-CZ2 4.27Å; W881-I1002 HydrophobicContact CD2-CG2 4.37Å; W881-I1002 HydrophobicContact CZ2-CD1 4.36Å; W881-I1002 HydrophobicContact CZ2-CG2 3.93Å; W881-T1004 VanDerWaalsContact CD1-OG1 3.28Å; W881-T1004 PolarHBondContact NE1-OG1 2.85Å
882	S	77.5	Confident	66	Low	9 Å²	9	54.3 Å²	54.3	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	146	177.2	57.1	0	0	0	0	111.5	P886	S882-P886 VanDerWaalsContact OG-CD 3.26Å; S882-P886 WeakPolarHBondContact OG-CD 3.32Å
883	Y	74.7	Confident	65.2	Low	61 Å²	61	60.9 Å²	60.9	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.9	170.4	-170.4	-113.5	0	0	0	112.1	L734 E851 F852 T853 F854 Y1028	L734-Y883 HydrophobicContact CD2-CE1 4.47Å; E851-Y883 HydrophobicContact CB-CE1 4.28Å; E851-Y883 PolarHBondContact OE2-OH 3.01Å; F852-Y883 WeakPolarHBondContact O-CD1 3.4Å; T853-Y883 CarbonylContact C-O 3.5Å; T853-Y883 VanDerWaalsContact CA-O 3.28Å; T853-Y883 WeakPolarHBondContact CA-O 3.43Å; T853-Y883 WeakPolarHBondContact CB-O 3.32Å; F854-Y883 HydrophobicContact CE1-CG 4.45Å; F854-Y883 PolarHBondContact N-O 2.77Å; F854-Y883 PolarHBondContact O-N 3.45Å; F854-Y883 VanDerWaalsContact O-N 3.11Å; Y883-Y1028 PolarHBondContact O-OH 3.32Å; Y883-Y1028 VanDerWaalsContact O-OH 3.04Å
884	P	70.7	Confident	64.1	Low	63 Å²	63	58.3 Å²	58.3	41%	0.409	32%	0.317	S	S	.	.	S	Bend	cis	-70.3	163	0.5	31.1	-37.4	0	0	0	113.9	Y1028	P884-Y1028 WeakPolarHBondContact CD-OH 3.2Å; P884-Y1028 WeakPolarHBondContact O-CE2 3.42Å; P884-Y1028 PolarHBondContact O-OH 2.7Å
885	V	67.8	Low	62.6	Low	46 Å²	46	63 Å²	63	28%	0.279	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-72.3	133.3	177	-177.2	0	0	0	0	110.4	S887 L976 P1003 I1005	V885-S887 PolarHBondContact O-N 2.68Å; V885-L976 HydrophobicContact CG1-CD1 4.42Å; V885-P1003 HydrophobicContact CG2-CB 4.48Å; V885-P1003 HydrophobicContact CG2-CG 4.44Å; V885-I1005 HydrophobicContact CG1-CD1 3.96Å; V885-I1005 HydrophobicContact CG1-CG1 4.45Å
886	P	66	Low	60.7	Low	18 Å²	18	68.3 Å²	68.3	12%	0.117	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-47.3	122.8	172.4	-31.9	33.8	0	0	0	114.2	S882 S888 I889 I1005 Y1028	S882-P886 VanDerWaalsContact OG-CD 3.26Å; S882-P886 WeakPolarHBondContact OG-CD 3.32Å; P886-S888 PolarHBondContact O-N 2.84Å; P886-I889 PolarHBondContact O-N 3.2Å; P886-I1005 HydrophobicContact CG-CD1 4.02Å; P886-Y1028 HydrophobicContact CG-CD2 4.23Å; P886-Y1028 HydrophobicContact CG-CE2 4.45Å
887	S	58.9	Low	58.9	Low	118 Å²	118	73.4 Å²	73.4	83%	0.825	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-5.7	-171.6	50.7	0	0	0	0	115.5	V885	V885-S887 PolarHBondContact O-N 2.68Å
888	S	55.4	Low	56.8	Low	47 Å²	47	78 Å²	78	33%	0.329	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-18.4	179.9	50.8	0	0	0	0	114.8	P886 T924	P886-S888 PolarHBondContact O-N 2.84Å; S888-T924 WeakPolarHBondContact CB-OG1 3.4Å; S888-T924 PolarHBondContact OG-OG1 2.89Å
889	I	53.3	Low	54.6	Low	38 Å²	38	85.2 Å²	85.2	20%	0.195	44%	0.441	C	S	.	.	S	Bend	trans	-101.2	-12.5	-176.3	-60.6	179.8	0	0	0	111.1	P886 N891 A974 L976 I1005 Y1007	P886-I889 PolarHBondContact O-N 3.2Å; I889-N891 PolarHBondContact O-N 2.88Å; I889-A974 HydrophobicContact CD1-CB 3.96Å; I889-L976 HydrophobicContact CG2-CB 4.01Å; I889-I1005 HydrophobicContact CD1-CB 4.49Å; I889-I1005 HydrophobicContact CD1-CD1 4.08Å; I889-I1005 HydrophobicContact CD1-CG1 4.23Å; I889-I1005 HydrophobicContact CD1-CG2 3.42Å; I889-I1005 VanDerWaalsContact CD1-CG2 3.42Å; I889-Y1007 HydrophobicContact CD1-CE1 4.02Å
890	H	47.8	Very low	52.4	Low	131 Å²	131	89.2 Å²	89.2	61%	0.606	46%	0.463	S	S	*	.			trans	-94.7	66.8	-173.3	-151.4	74.2	0	0	0	112.9	P892	H890-P892 VanDerWaalsContact O-CD 3.3Å; H890-P892 WeakPolarHBondContact O-CD 3.41Å
891	N	44.1	Very low	50.2	Low	75 Å²	75	95.5 Å²	95.5	40%	0.401	50%	0.501	S	S	.	.			trans	-92.1	104.2	166.1	-177.7	23.2	0	0	0	109.8	I889 K893 D894	I889-N891 PolarHBondContact O-N 2.88Å; N891-K893 PolarHBondContact O-N 2.84Å; N891-D894 WeakPolarHBondContact CB-OD2 3.45Å; N891-D894 PolarHBondContact ND2-OD2 2.68Å; N891-D894 PolarHBondContact O-N 3.4Å
892	P	44.5	Very low	47.8	Very low	100 Å²	100	99.7 Å²	99.7	65%	0.649	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	14.5	-172.6	29.9	-37.1	0	0	0	115	H890	H890-P892 VanDerWaalsContact O-CD 3.3Å; H890-P892 WeakPolarHBondContact O-CD 3.41Å
893	K	39.5	Very low	45.4	Very low	170 Å²	170	107.2 Å²	107.2	74%	0.739	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-17	179.8	-66.4	-176	177.5	-179.7	0	114.5	N891 T895	N891-K893 PolarHBondContact O-N 2.84Å; K893-T895 PolarHBondContact O-N 3.38Å
894	D	43.2	Very low	43.1	Very low	89 Å²	89	111.3 Å²	111.3	48%	0.476	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-80.9	0.1	-174.2	-66.4	-43.4	0	0	0	114.4	N891 K896 I897	N891-D894 WeakPolarHBondContact CB-OD2 3.45Å; N891-D894 PolarHBondContact ND2-OD2 2.68Å; N891-D894 PolarHBondContact O-N 3.4Å; D894-K896 PolarHBondContact O-N 2.82Å; D894-I897 PolarHBondContact O-N 2.72Å
895	T	35.6	Very low	41	Very low	121 Å²	121	114.6 Å²	114.6	74%	0.742	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-60	-13.3	177.2	45.8	0	0	0	0	114.6	K893	K893-T895 PolarHBondContact O-N 3.38Å
896	K	33.9	Very low	39.1	Very low	178 Å²	178	119.9 Å²	119.9	77%	0.774	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-79.8	-16.4	176.2	-73.4	-167.1	171.9	-169.9	0	115.2	D894 K898	D894-K896 PolarHBondContact O-N 2.82Å; K896-K898 VanDerWaalsContact C-N 3.32Å; K896-K898 PolarHBondContact O-N 3.49Å
897	I	35.2	Very low	37.4	Very low	110 Å²	110	126 Å²	126	56%	0.564	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-75.4	-19.4	-170.4	-62.6	177.6	0	0	0	112.8	D894 H899 I900	D894-I897 PolarHBondContact O-N 2.72Å; I897-H899 PolarHBondContact O-N 2.88Å; I897-I900 PolarHBondContact O-N 3.38Å
898	K	32.5	Very low	36	Very low	191 Å²	191	127.9 Å²	127.9	83%	0.83	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-66.5	-4.7	179.3	-86	-168.5	173.3	-175.6	0	116.1	K896	K896-K898 VanDerWaalsContact C-N 3.32Å; K896-K898 PolarHBondContact O-N 3.49Å
899	H	30.1	Very low	34.7	Very low	159 Å²	159	132.1 Å²	132.1	74%	0.736	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-105.3	3.4	179.6	-95.2	-77.5	0	0	0	115.3	I897	I897-H899 PolarHBondContact O-N 2.88Å
900	I	32.2	Very low	33.5	Very low	136 Å²	136	137.6 Å²	137.6	70%	0.697	71%	0.707	S	S	*	*	S	Bend	trans	-103.8	2.6	-171.6	-59.3	176	0	0	0	112.7	I897	I897-I900 PolarHBondContact O-N 3.38Å
901	V	32	Very low	32.5	Very low	134 Å²	134	138.6 Å²	138.6	81%	0.812	72%	0.717	S	S	*	*	S	Bend	trans	-100	-2	178.7	-173.1	0	0	0	0	112.3
902	T	28.4	Very low	31.7	Very low	100 Å²	100	140 Å²	140	61%	0.613	73%	0.733	S	S	*	*	S	Bend	trans	-128.6	57.4	-176	56.7	0	0	0	0	112.2
903	E	27.7	Very low	31	Very low	167 Å²	167	144.5 Å²	144.5	78%	0.78	75%	0.745	S	S	*	*	S	Bend	trans	-175.4	155.4	153.1	-106	155.5	-143.2	0	0	111.5
904	N	26.3	Very low	30.5	Very low	147 Å²	147	143.8 Å²	143.8	79%	0.786	75%	0.748	S	S	*	*			trans	62.4	85.9	165.1	-58.8	-34.9	0	0	0	119.4
905	C	26.5	Very low	29.8	Very low	131 Å²	131	145.3 Å²	145.3	89%	0.885	76%	0.763	S	S	*	*			trans	-90.1	88.3	146.3	-69.7	0	0	0	0	110.5
906	N	27.6	Very low	29.3	Very low	158 Å²	158	150.4 Å²	150.4	85%	0.845	77%	0.77	S	S	*	*			trans	-158.9	161	156.3	-101.2	-36.2	0	0	0	110.6
907	L	31.1	Very low	29.1	Very low	147 Å²	147	148.3 Å²	148.3	77%	0.77	76%	0.763	S	S	*	*			trans	-93.8	166.1	-157.8	-84.3	75.6	0	0	0	116.3
908	H	28.2	Very low	29	Very low	156 Å²	156	151.3 Å²	151.3	72%	0.722	78%	0.778	S	S	*	*			trans	100	155.3	154	-85	-79.4	0	0	0	120.7
909	E	27.9	Very low	29	Very low	136 Å²	136	148.8 Å²	148.8	64%	0.636	77%	0.767	S	S	*	*			trans	-71.1	138.9	-146.1	-63	165.8	111.8	0	0	116
910	I	29.6	Very low	29.3	Very low	154 Å²	154	151 Å²	151	79%	0.79	78%	0.775	S	S	*	*			trans	-125.2	123.8	154	-62.7	-179.8	0	0	0	108.3
911	N	26	Very low	29.8	Very low	151 Å²	151	152.5 Å²	152.5	81%	0.807	78%	0.779	S	S	*	*			trans	-96.7	119.2	165.3	-73.6	-57.3	0	0	0	109
912	S	28.3	Very low	30.6	Very low	106 Å²	106	155.3 Å²	155.3	74%	0.741	78%	0.78	S	S	*	*			trans	-165.9	157.6	152	34.4	0	0	0	0	111.3
913	E	29.5	Very low	32	Very low	193 Å²	193	154.6 Å²	154.6	90%	0.902	77%	0.769	S	S	*	*			trans	-79.3	132	-161.6	-61.8	157.4	114.9	0	0	113.8
914	I	28.3	Very low	34	Very low	155 Å²	155	148.5 Å²	148.5	80%	0.795	74%	0.743	S	S	*	*			trans	-132	132.4	160	-62.2	-175.7	0	0	0	106.9
915	P	28.7	Very low	36.6	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	71%	0.709	S	S	*	*			trans	-79.9	146.4	-153.9	28.4	-36.5	0	0	0	116.4	E917	P915-E917 PolarHBondContact O-N 2.78Å
916	Y	26	Very low	39.2	Very low	228 Å²	228	138.5 Å²	138.5	89%	0.894	68%	0.681	S	S	*	*			trans	-74.8	97.4	174.7	-81.7	-102.3	0	0	0	112.4
917	E	29.2	Very low	41.9	Very low	135 Å²	135	131.2 Å²	131.2	63%	0.631	64%	0.641	S	S	*	*			trans	-143	27.4	170.5	-109.1	-86.4	130.2	0	0	113.6	P915 K919	P915-E917 PolarHBondContact O-N 2.78Å; E917-K919 VanDerWaalsContact C-N 3.31Å; E917-K919 PolarHBondContact O-N 2.84Å; E917-K919 WeakPolarHBondContact OE1-CE 3.45Å; E917-K919 IonicContact OE1-NZ 3.74Å; E917-K919 PolarHBondContact OE1-NZ 3.27Å; E917-K919 IonicContact OE2-NZ 2.75Å; E917-K919 PolarHBondContact OE2-NZ 2.85Å
918	I	34	Very low	44.4	Very low	173 Å²	173	126 Å²	126	89%	0.887	61%	0.611	S	S	*	*			trans	-77.5	83.9	169.3	-54.2	-177.5	0	0	0	109.5
919	K	31.5	Very low	47.1	Very low	137 Å²	137	120.6 Å²	120.6	60%	0.596	59%	0.586	S	S	*	*			trans	-59.3	136.4	167	-64.3	-172.9	173.3	81.7	0	109.3	E917 Q921	E917-K919 VanDerWaalsContact C-N 3.31Å; E917-K919 PolarHBondContact O-N 2.84Å; E917-K919 WeakPolarHBondContact OE1-CE 3.45Å; E917-K919 IonicContact OE1-NZ 3.74Å; E917-K919 PolarHBondContact OE1-NZ 3.27Å; E917-K919 IonicContact OE2-NZ 2.75Å; E917-K919 PolarHBondContact OE2-NZ 2.85Å; K919-Q921 PolarHBondContact O-N 3.25Å
920	K	35.9	Very low	49.8	Very low	206 Å²	206	114.4 Å²	114.4	90%	0.896	56%	0.557	S	S	*	*			trans	-58.7	95.4	179.6	-68.8	-172.7	177	-172.3	0	111.1
921	Q	43	Very low	52.2	Low	167 Å²	167	110.5 Å²	110.5	78%	0.78	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-67.3	137.2	171.8	-71.6	-177.4	-17	0	0	109.7	K919 K923	K919-Q921 PolarHBondContact O-N 3.25Å; Q921-K923 PolarHBondContact O-N 2.94Å
922	K	49.2	Very low	54.6	Low	193 Å²	193	104.3 Å²	104.3	84%	0.839	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-67.6	119	170	-79	-174.9	172.4	-175.4	0	108.9	T924	K922-T924 PolarHBondContact O-N 2.8Å
923	K	58.5	Low	56.9	Low	86 Å²	86	103.7 Å²	103.7	37%	0.374	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-59.8	130.5	161.6	-70.1	-174.3	167.9	-171.1	0	108.4	Q921 Y925 E949 T972	Q921-K923 PolarHBondContact O-N 2.94Å; K923-Y925 VanDerWaalsContact C-N 3.29Å; K923-Y925 HydrophobicContact CB-CD1 4.4Å; K923-Y925 HydrophobicContact CB-CE1 4.27Å; K923-Y925 HydrophobicContact CD-CE1 4.29Å; K923-Y925 HydrophobicContact CD-CE2 4.14Å; K923-Y925 VanDerWaalsContact CE-OH 3.28Å; K923-Y925 WeakPolarHBondContact CE-OH 3.49Å; K923-Y925 HydrophobicContact CG-CE1 4.21Å; K923-Y925 PolarHBondContact NZ-OH 2.8Å; K923-E949 WeakPolarHBondContact CE-OE2 3.5Å; K923-E949 IonicContact NZ-OE1 3.42Å; K923-E949 PolarHBondContact NZ-OE1 2.9Å; K923-E949 IonicContact NZ-OE2 2.75Å; K923-E949 PolarHBondContact NZ-OE2 2.84Å; K923-T972 PolarHBondContact NZ-O 2.71Å; K923-T972 PolarHBondContact NZ-OG1 2.77Å
924	T	69.6	Low	58.8	Low	38 Å²	38	101.3 Å²	101.3	23%	0.233	48%	0.477	C	S	.	.	S	Bend	trans	-93.1	6.9	176.4	49.4	0	0	0	0	112.3	S888 K922 E1027	S888-T924 WeakPolarHBondContact CB-OG1 3.4Å; S888-T924 PolarHBondContact OG-OG1 2.89Å; K922-T924 PolarHBondContact O-N 2.8Å; T924-E1027 PolarHBondContact O-N 2.79Å
925	Y	79.1	Confident	60.3	Low	22 Å²	22	97.2 Å²	97.2	9%	0.086	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.3	172	64.1	-85.6	0	0	0	107.8	K923 W927 D973 A974 Y1007 E1025	K923-Y925 VanDerWaalsContact C-N 3.29Å; K923-Y925 HydrophobicContact CB-CD1 4.4Å; K923-Y925 HydrophobicContact CB-CE1 4.27Å; K923-Y925 HydrophobicContact CD-CE1 4.29Å; K923-Y925 HydrophobicContact CD-CE2 4.14Å; K923-Y925 VanDerWaalsContact CE-OH 3.28Å; K923-Y925 WeakPolarHBondContact CE-OH 3.49Å; K923-Y925 HydrophobicContact CG-CE1 4.21Å; K923-Y925 PolarHBondContact NZ-OH 2.8Å; Y925-W927 AromaticContact CD2-CD1 3.95Å; Y925-D973 VanDerWaalsContact OH-CA 3.29Å; Y925-D973 WeakPolarHBondContact OH-CA 3.33Å; Y925-A974 HydrophobicContact CD1-CB 4.38Å; Y925-A974 HydrophobicContact CE1-CB 3.85Å; Y925-Y1007 AromaticContact CD1-CD1 3.78Å; Y925-Y1007 HydrophobicContact CD1-CD1 3.78Å; Y925-Y1007 AromaticContact CD1-CE1 3.6Å; Y925-Y1007 HydrophobicContact CD1-CE1 3.6Å; Y925-Y1007 AromaticContact CD2-CD1 3.99Å; Y925-Y1007 HydrophobicContact CD2-CD1 3.99Å; Y925-Y1007 HydrophobicContact CE1-CD1 4.34Å; Y925-Y1007 HydrophobicContact CE1-CE1 4.39Å; Y925-Y1007 AromaticContact CG-CD1 3.58Å; Y925-Y1007 HydrophobicContact CG-CD1 3.58Å; Y925-Y1007 AromaticContact CG-CE1 3.69Å; Y925-Y1007 HydrophobicContact CG-CE1 3.69Å; Y925-E1025 CarbonylContact C-O 3.46Å; Y925-E1025 VanDerWaalsContact CA-O 3.29Å; Y925-E1025 WeakPolarHBondContact CA-O 3.3Å
926	T	81.8	Confident	61.4	Low	46 Å²	46	101.8 Å²	101.8	28%	0.282	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	127.8	177	-47.2	0	0	0	0	109.7	Y928 L946 E1025	T926-Y928 HydrophobicContact CG2-CD2 4.3Å; T926-Y928 HydrophobicContact CG2-CE1 4.14Å; T926-Y928 HydrophobicContact CG2-CE2 3.62Å; T926-L946 HydrophobicContact CG2-CD1 3.38Å; T926-E1025 PolarHBondContact N-O 2.88Å; T926-E1025 PolarHBondContact O-N 3.24Å
927	W	83.6	Confident	62.2	Low	6 Å²	6	96.4 Å²	96.4	2%	0.023	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.8	174.7	-73.7	90.8	0	0	0	110.6	I876 L878 Y925 V947 T972 L1009 C1024	I876-W927 HydrophobicContact CG2-CH2 3.83Å; I876-W927 HydrophobicContact CG2-CZ3 4.31Å; L878-W927 HydrophobicContact CD1-CH2 3.37Å; L878-W927 HydrophobicContact CD1-CZ2 3.89Å; L878-W927 HydrophobicContact CD1-CZ3 4.04Å; L878-W927 HydrophobicContact CG-CH2 3.85Å; L878-W927 HydrophobicContact CG-CZ2 4.39Å; Y925-W927 AromaticContact CD2-CD1 3.95Å; W927-V947 HydrophobicContact CB-CB 4.24Å; W927-V947 HydrophobicContact CB-CG2 4.16Å; W927-V947 WeakPolarHBondContact O-CB 3.17Å; W927-V947 WeakPolarHBondContact O-CG2 3.41Å; W927-V947 PolarHBondContact O-N 3.44Å; W927-V947 VanDerWaalsContact O-N 3.13Å; W927-T972 HydrophobicContact CB-CG2 4.24Å; W927-T972 HydrophobicContact CG-CG2 3.9Å; W927-L1009 HydrophobicContact CD2-CB 3.88Å; W927-L1009 HydrophobicContact CD2-CD2 4.02Å; W927-L1009 HydrophobicContact CD2-CG 4.48Å; W927-L1009 HydrophobicContact CE3-CB 4.12Å; W927-L1009 HydrophobicContact CE3-CD2 3.63Å; W927-L1009 HydrophobicContact CE3-CG 4.49Å; W927-L1009 HydrophobicContact CG-CB 4.43Å; W927-L1009 HydrophobicContact CH2-CB 4.05Å; W927-L1009 HydrophobicContact CZ2-CB 3.83Å; W927-L1009 HydrophobicContact CZ3-CB 4.2Å; W927-L1009 HydrophobicContact CZ3-CD2 3.95Å; W927-C1024 HydrophobicContact CD2-CB 4.01Å; W927-C1024 HydrophobicContact CE3-CB 3.99Å; W927-C1024 HydrophobicContact CH2-CB 4.1Å; W927-C1024 HydrophobicContact CZ2-CB 4.09Å; W927-C1024 HydrophobicContact CZ3-CB 4.04Å
928	Y	84.9	Confident	63.4	Low	36 Å²	36	91.7 Å²	91.7	14%	0.141	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.5	175	-63.7	-82.5	0	0	0	109.5	T926 K944 E945 L946 Y1022 M1023 E1025	T926-Y928 HydrophobicContact CG2-CD2 4.3Å; T926-Y928 HydrophobicContact CG2-CE1 4.14Å; T926-Y928 HydrophobicContact CG2-CE2 3.62Å; Y928-K944 HydrophobicContact CD1-CD 4.14Å; Y928-K944 HydrophobicContact CD1-CG 3.65Å; Y928-K944 HydrophobicContact CE1-CD 4.38Å; Y928-K944 HydrophobicContact CE1-CG 4.27Å; Y928-K944 HydrophobicContact CG-CD 4.23Å; Y928-K944 HydrophobicContact CG-CG 3.88Å; Y928-E945 CarbonylContact C-O 3.58Å; Y928-E945 WeakPolarHBondContact CA-O 3.33Å; Y928-E945 WeakPolarHBondContact CB-O 3.33Å; Y928-E945 WeakPolarHBondContact CD1-O 3.46Å; Y928-L946 HydrophobicContact CD1-CB 4.32Å; Y928-L946 HydrophobicContact CD1-CD1 4.07Å; Y928-L946 HydrophobicContact CE1-CB 4.25Å; Y928-L946 HydrophobicContact CE1-CD1 3.66Å; Y928-Y1022 CarbonylContact O-C 3.46Å; Y928-Y1022 WeakPolarHBondContact O-CA 2.99Å; Y928-M1023 HydrophobicContact CD2-CE 3.66Å; Y928-M1023 HydrophobicContact CE2-CE 4.37Å; Y928-M1023 HydrophobicContact CG-CE 4.14Å; Y928-M1023 PolarHBondContact N-O 2.86Å; Y928-M1023 PolarHBondContact O-N 2.84Å; Y928-E1025 HydrophobicContact CD2-CB 4.13Å; Y928-E1025 HydrophobicContact CE2-CB 3.85Å
929	K	84.1	Confident	65	Low	44 Å²	44	86.2 Å²	86.2	19%	0.191	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.3	158.1	-159	-175.5	-178.2	-156.7	0	107.6	E945 K1017 Y1019 E1021 Y1022	K929-E945 HydrophobicContact CB-CB 4.48Å; K929-E945 PolarHBondContact N-O 3.42Å; K929-E945 PolarHBondContact O-N 2.81Å; K929-K1017 PolarHBondContact NZ-O 3.24Å; K929-Y1019 WeakPolarHBondContact CE-O 3.44Å; K929-Y1019 PolarHBondContact NZ-O 2.67Å; K929-E1021 WeakPolarHBondContact CG-O 3Å; K929-Y1022 HydrophobicContact CB-CD1 4.26Å; K929-Y1022 HydrophobicContact CB-CE1 4.14Å; K929-Y1022 HydrophobicContact CG-CD1 4.35Å; K929-Y1022 HydrophobicContact CG-CE1 4.12Å; K929-Y1022 HydrophobicContact CG-CE2 4.28Å
930	V	85.2	Confident	67.1	Low	5 Å²	5	85.4 Å²	85.4	3%	0.03	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	161.4	-172.5	-63.9	0	0	0	0	111.7	T932 I941 Q943 K944 E1021 M1023 F1036	V930-T932 HydrophobicContact CB-CG2 4.38Å; V930-T932 HydrophobicContact CG2-CG2 3.95Å; V930-I941 HydrophobicContact CB-CG2 4.34Å; V930-I941 HydrophobicContact CG1-CG2 4.27Å; V930-Q943 VanDerWaalsContact CA-O 3.29Å; V930-Q943 WeakPolarHBondContact CA-O 3.44Å; V930-K944 HydrophobicContact CG1-CB 4.38Å; V930-K944 HydrophobicContact CG1-CG 4.23Å; V930-E1021 HydrophobicContact CG2-CB 3.71Å; V930-E1021 PolarHBondContact N-O 2.56Å; V930-M1023 HydrophobicContact CG1-CB 3.77Å; V930-M1023 HydrophobicContact CG1-CE 4.16Å; V930-M1023 HydrophobicContact CG1-SD 4.38Å; V930-M1023 HydrophobicContact CG2-CB 3.95Å; V930-F1036 HydrophobicContact CG2-CD1 4.21Å; V930-F1036 HydrophobicContact CG2-CE1 4.35Å
931	T	79.2	Confident	69.1	Low	72 Å²	72	78 Å²	78	44%	0.442	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.7	167.6	-45.9	0	0	0	0	106.8	L942 Q943	T931-L942 WeakPolarHBondContact O-CB 3.47Å; T931-L942 PolarHBondContact O-N 3.4Å; T931-Q943 PolarHBondContact N-O 3.44Å; T931-Q943 PolarHBondContact O-N 3.14Å
932	T	77.9	Confident	70.8	Confident	22 Å²	22	75 Å²	75	14%	0.135	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155.2	-175.2	78.2	0	0	0	0	114.2	V930 V939 K940 I941 E1021 F1036	V930-T932 HydrophobicContact CB-CG2 4.38Å; V930-T932 HydrophobicContact CG2-CG2 3.95Å; T932-V939 HydrophobicContact CG2-CG1 3.58Å; T932-K940 CarbonylContact C-O 3.59Å; T932-K940 WeakPolarHBondContact CA-O 3.32Å; T932-I941 HydrophobicContact CG2-CG1 4.38Å; T932-E1021 VanDerWaalsContact CB-OE2 3.25Å; T932-E1021 WeakPolarHBondContact CB-OE2 2.91Å; T932-E1021 WeakPolarHBondContact CG2-OE2 2.93Å; T932-E1021 PolarHBondContact N-OE2 2.96Å; T932-E1021 VanDerWaalsContact OG1-CD 3.24Å; T932-E1021 PolarHBondContact OG1-OE1 2.77Å; T932-E1021 VanDerWaalsContact OG1-OE1 3.11Å; T932-E1021 PolarHBondContact OG1-OE2 2.95Å; T932-F1036 HydrophobicContact CG2-CD1 4.09Å; T932-F1036 HydrophobicContact CG2-CE1 3.89Å
933	E	75	Confident	72.1	Confident	92 Å²	92	71.8 Å²	71.8	43%	0.43	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.5	168.8	-179.1	178.6	-149.2	0	0	106.5	K940 L942	E933-K940 HydrophobicContact CB-CB 4.35Å; E933-K940 PolarHBondContact N-O 3Å; E933-K940 PolarHBondContact O-N 2.83Å; E933-K940 VanDerWaalsContact OE2-CD 3.28Å; E933-K940 WeakPolarHBondContact OE2-CD 3.42Å; E933-K940 VanDerWaalsContact OE2-CE 3.23Å; E933-K940 WeakPolarHBondContact OE2-CE 3.31Å; E933-K940 IonicContact OE2-NZ 2.7Å; E933-K940 PolarHBondContact OE2-NZ 3.02Å; E933-L942 HydrophobicContact CB-CD1 4.15Å; E933-L942 HydrophobicContact CB-CD2 4.12Å; E933-L942 HydrophobicContact CB-CG 4.11Å
934	R	69.6	Low	73.2	Confident	144 Å²	144	71.6 Å²	71.6	54%	0.543	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.6	-176.7	-57.6	-170.9	-174.2	-175.6	5	110.6	V939 E1021	R934-V939 HydrophobicContact CG-CG1 4.45Å; R934-V939 HydrophobicContact CG-CG2 4.32Å; R934-E1021 IonicContact CZ-OE1 2.84Å; R934-E1021 IonicContact NE-OE1 3.67Å; R934-E1021 PolarHBondContact NE-OE1 3.25Å; R934-E1021 IonicContact NH2-OE1 2.71Å; R934-E1021 PolarHBondContact NH2-OE1 2.84Å
935	S	60.1	Low	73.7	Confident	68 Å²	68	75.3 Å²	75.3	48%	0.476	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	167.5	170.8	62.9	0	0	0	0	110.4	S937 G938	S935-S937 PolarHBondContact O-N 3.01Å; S935-S937 PolarHBondContact OG-N 3.27Å; S935-S937 PolarHBondContact OG-OG 3.33Å; S935-G938 PolarHBondContact N-O 2.92Å; S935-G938 PolarHBondContact O-N 2.77Å; S935-G938 VanDerWaalsContact O-N 3.13Å; S935-G938 PolarHBondContact OG-N 2.94Å; S935-G938 PolarHBondContact OG-O 2.85Å
936	E	51.8	Low	73.7	Confident	217 Å²	217	78.5 Å²	78.5	100%	1.014	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.3	170.3	-61.6	-176.4	146.4	0	0	112.9
937	S	42.5	Very low	73.2	Confident	116 Å²	116	77.1 Å²	77.1	81%	0.811	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.2	-180	54	0	0	0	0	115.1	S935	S935-S937 PolarHBondContact O-N 3.01Å; S935-S937 PolarHBondContact OG-N 3.27Å; S935-S937 PolarHBondContact OG-OG 3.33Å
938	G	54.3	Low	72.1	Confident	36 Å²	36	82.2 Å²	82.2	37%	0.371	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-171	175.4	0	0	0	0	0	115.8	S935	S935-G938 PolarHBondContact N-O 2.92Å; S935-G938 PolarHBondContact O-N 2.77Å; S935-G938 VanDerWaalsContact O-N 3.13Å; S935-G938 PolarHBondContact OG-N 2.94Å; S935-G938 PolarHBondContact OG-O 2.85Å
939	V	68.5	Low	70.7	Confident	58 Å²	58	84.4 Å²	84.4	35%	0.352	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113	178.8	-177.5	0	0	0	0	108.8	T932 R934 F1036	T932-V939 HydrophobicContact CG2-CG1 3.58Å; R934-V939 HydrophobicContact CG-CG1 4.45Å; R934-V939 HydrophobicContact CG-CG2 4.32Å; V939-F1036 HydrophobicContact CB-CE2 4.14Å; V939-F1036 HydrophobicContact CB-CZ 4.26Å; V939-F1036 HydrophobicContact CG1-CD1 4.21Å; V939-F1036 HydrophobicContact CG1-CD2 4.37Å; V939-F1036 HydrophobicContact CG1-CE1 3.9Å; V939-F1036 HydrophobicContact CG1-CE2 4.08Å; V939-F1036 HydrophobicContact CG1-CG 4.43Å; V939-F1036 HydrophobicContact CG1-CZ 3.83Å
940	K	75.7	Confident	68.9	Low	119 Å²	119	87 Å²	87	52%	0.517	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.2	179.4	173.4	179.7	158.5	-151.4	0	109.5	T932 E933 L942	T932-K940 CarbonylContact C-O 3.59Å; T932-K940 WeakPolarHBondContact CA-O 3.32Å; E933-K940 HydrophobicContact CB-CB 4.35Å; E933-K940 PolarHBondContact N-O 3Å; E933-K940 PolarHBondContact O-N 2.83Å; E933-K940 VanDerWaalsContact OE2-CD 3.28Å; E933-K940 WeakPolarHBondContact OE2-CD 3.42Å; E933-K940 VanDerWaalsContact OE2-CE 3.23Å; E933-K940 WeakPolarHBondContact OE2-CE 3.31Å; E933-K940 IonicContact OE2-NZ 2.7Å; E933-K940 PolarHBondContact OE2-NZ 3.02Å; K940-L942 PolarHBondContact O-N 2.9Å
941	I	76.8	Confident	66.9	Low	51 Å²	51	93.7 Å²	93.7	26%	0.262	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.1	-180	-54.3	170.2	0	0	0	109.2	V930 T932 Q943 K944 M1023 F1036	V930-I941 HydrophobicContact CB-CG2 4.34Å; V930-I941 HydrophobicContact CG1-CG2 4.27Å; T932-I941 HydrophobicContact CG2-CG1 4.38Å; I941-Q943 VanDerWaalsContact CG2-O 3.26Å; I941-Q943 WeakPolarHBondContact CG2-O 3.2Å; I941-K944 HydrophobicContact CG2-CB 4.07Å; I941-M1023 HydrophobicContact CD1-CE 4.02Å; I941-M1023 HydrophobicContact CD1-SD 3.51Å; I941-M1023 VanDerWaalsContact CD1-SD 3.51Å; I941-F1036 HydrophobicContact CD1-CE1 4.25Å; I941-F1036 HydrophobicContact CD1-CZ 4.19Å; I941-F1036 HydrophobicContact CG1-CE1 4.14Å; I941-F1036 HydrophobicContact CG1-CZ 4.24Å
942	L	79.9	Confident	64.9	Low	105 Å²	105	98.3 Å²	98.3	55%	0.55	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-38.8	176.1	-59.1	178.3	0	0	0	111.7	T931 E933 K940	T931-L942 WeakPolarHBondContact O-CB 3.47Å; T931-L942 PolarHBondContact O-N 3.4Å; E933-L942 HydrophobicContact CB-CD1 4.15Å; E933-L942 HydrophobicContact CB-CD2 4.12Å; E933-L942 HydrophobicContact CB-CG 4.11Å; K940-L942 PolarHBondContact O-N 2.9Å
943	Q	77	Confident	62.9	Low	124 Å²	124	101.6 Å²	101.6	58%	0.579	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.8	-180	-173.7	170.1	-23.6	0	0	110	V930 T931 I941	V930-Q943 VanDerWaalsContact CA-O 3.29Å; V930-Q943 WeakPolarHBondContact CA-O 3.44Å; T931-Q943 PolarHBondContact N-O 3.44Å; T931-Q943 PolarHBondContact O-N 3.14Å; I941-Q943 VanDerWaalsContact CG2-O 3.26Å; I941-Q943 WeakPolarHBondContact CG2-O 3.2Å
944	K	79.9	Confident	60.9	Low	82 Å²	82	104.7 Å²	104.7	36%	0.357	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	111.8	-176.7	-178.2	173.5	172.7	179.5	0	109.7	Y928 V930 I941 M1023 E1025	Y928-K944 HydrophobicContact CD1-CD 4.14Å; Y928-K944 HydrophobicContact CD1-CG 3.65Å; Y928-K944 HydrophobicContact CE1-CD 4.38Å; Y928-K944 HydrophobicContact CE1-CG 4.27Å; Y928-K944 HydrophobicContact CG-CD 4.23Å; Y928-K944 HydrophobicContact CG-CG 3.88Å; V930-K944 HydrophobicContact CG1-CB 4.38Å; V930-K944 HydrophobicContact CG1-CG 4.23Å; I941-K944 HydrophobicContact CG2-CB 4.07Å; K944-M1023 HydrophobicContact CD-CE 3.9Å; K944-M1023 HydrophobicContact CG-CE 4.49Å; K944-E1025 VanDerWaalsContact NZ-CD 3.3Å; K944-E1025 IonicContact NZ-OE1 3.06Å; K944-E1025 PolarHBondContact NZ-OE1 2.82Å; K944-E1025 IonicContact NZ-OE2 2.67Å; K944-E1025 PolarHBondContact NZ-OE2 2.7Å
945	E	80.6	Confident	59.2	Low	116 Å²	116	105 Å²	105	54%	0.542	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.8	178.7	-178.3	169.6	-157.6	0	0	109.6	Y928 K929	Y928-E945 CarbonylContact C-O 3.58Å; Y928-E945 WeakPolarHBondContact CA-O 3.33Å; Y928-E945 WeakPolarHBondContact CB-O 3.33Å; Y928-E945 WeakPolarHBondContact CD1-O 3.46Å; K929-E945 HydrophobicContact CB-CB 4.48Å; K929-E945 PolarHBondContact N-O 3.42Å; K929-E945 PolarHBondContact O-N 2.81Å
946	L	78.5	Confident	57.9	Low	90 Å²	90	112.8 Å²	112.8	47%	0.471	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.3	128.9	179.9	179.5	66.6	0	0	0	110.1	T926 Y928 L948	T926-L946 HydrophobicContact CG2-CD1 3.38Å; Y928-L946 HydrophobicContact CD1-CB 4.32Å; Y928-L946 HydrophobicContact CD1-CD1 4.07Å; Y928-L946 HydrophobicContact CE1-CB 4.25Å; Y928-L946 HydrophobicContact CE1-CD1 3.66Å; L946-L948 HydrophobicContact CD2-CD1 4.41Å; L946-L948 PolarHBondContact O-N 3.09Å; L946-L948 VanDerWaalsContact O-N 3.13Å
947	V	73.3	Confident	56.8	Low	17 Å²	17	109.9 Å²	109.9	10%	0.103	55%	0.549	C	S	.	.			trans	-71.2	108.4	173.2	-178.6	0	0	0	0	108.8	W927 E949 I970 L1009 Y1022	W927-V947 HydrophobicContact CB-CB 4.24Å; W927-V947 HydrophobicContact CB-CG2 4.16Å; W927-V947 WeakPolarHBondContact O-CB 3.17Å; W927-V947 WeakPolarHBondContact O-CG2 3.41Å; W927-V947 PolarHBondContact O-N 3.44Å; W927-V947 VanDerWaalsContact O-N 3.13Å; V947-E949 PolarHBondContact O-N 3.42Å; V947-I970 HydrophobicContact CG1-CG2 3.41Å; V947-I970 VanDerWaalsContact CG1-CG2 3.41Å; V947-L1009 HydrophobicContact CG1-CD1 4.16Å; V947-Y1022 HydrophobicContact CG2-CD1 3.89Å; V947-Y1022 HydrophobicContact CG2-CE1 3.77Å
948	L	58.8	Low	56.1	Low	112 Å²	112	112.9 Å²	112.9	59%	0.586	55%	0.548	S	S	*	.			trans	-75.8	115	-179	-112.5	73.9	0	0	0	111.5	L946 N950	L946-L948 HydrophobicContact CD2-CD1 4.41Å; L946-L948 PolarHBondContact O-N 3.09Å; L946-L948 VanDerWaalsContact O-N 3.13Å; L948-N950 PolarHBondContact O-N 3.33Å
949	E	56.9	Low	55	Low	83 Å²	83	120.3 Å²	120.3	39%	0.388	57%	0.573	S	S	.	*			trans	-77.4	100.3	174.1	-57.3	-162.6	105.9	0	0	110.9	K923 V947 W951 I970 T972	K923-E949 WeakPolarHBondContact CE-OE2 3.5Å; K923-E949 IonicContact NZ-OE1 3.42Å; K923-E949 PolarHBondContact NZ-OE1 2.9Å; K923-E949 IonicContact NZ-OE2 2.75Å; K923-E949 PolarHBondContact NZ-OE2 2.84Å; V947-E949 PolarHBondContact O-N 3.42Å; E949-W951 PolarHBondContact O-N 2.02Å; E949-W951 VanDerWaalsContact O-N 3.1Å; E949-I970 WeakPolarHBondContact CA-O 3.24Å; E949-T972 WeakPolarHBondContact OE1-CA 3.27Å; E949-T972 WeakPolarHBondContact OE1-CB 3.43Å; E949-T972 PolarHBondContact OE1-N 3.13Å; E949-T972 PolarHBondContact OE1-OG1 3.27Å
950	N	45.6	Very low	53.3	Low	99 Å²	99	124.4 Å²	124.4	53%	0.529	60%	0.598	S	S	.	*			trans	-86.9	41.3	-176.6	-69.8	-39.6	0	0	0	113	L948 I970	L948-N950 PolarHBondContact O-N 3.33Å; N950-I970 PolarHBondContact N-O 3.42Å
951	W	42.4	Very low	51.1	Low	145 Å²	145	123.6 Å²	123.6	55%	0.549	61%	0.607	S	S	.	*			trans	-122.9	90.8	-173.7	-142.2	87.6	0	0	0	112.5	E949 P953	E949-W951 PolarHBondContact O-N 2.02Å; E949-W951 VanDerWaalsContact O-N 3.1Å; W951-P953 HydrophobicContact CE3-CB 4.43Å; W951-P953 HydrophobicContact CZ3-CB 3.94Å
952	E	38	Very low	48.8	Very low	168 Å²	168	124 Å²	124	79%	0.785	61%	0.614	S	S	*	*			trans	-94.5	122.4	166.4	-71.1	-163.8	134.1	0	0	110.6	H954	E952-H954 PolarHBondContact O-N 2.96Å; E952-H954 VanDerWaalsContact O-N 3.14Å
953	P	36.1	Very low	46.5	Very low	92 Å²	92	120.5 Å²	120.5	60%	0.597	60%	0.604	S	S	*	*			trans	-75	104.3	179.3	28.6	-33	0	0	0	111.9	W951	W951-P953 HydrophobicContact CE3-CB 4.43Å; W951-P953 HydrophobicContact CZ3-CB 3.94Å
954	H	32.7	Very low	44.4	Very low	157 Å²	157	122.5 Å²	122.5	73%	0.727	62%	0.617	S	S	*	*			trans	53.9	95.8	158.7	-55.1	-76.7	0	0	0	118.5	E952	E952-H954 PolarHBondContact O-N 2.96Å; E952-H954 VanDerWaalsContact O-N 3.14Å
955	I	33.9	Very low	42.3	Very low	151 Å²	151	126.2 Å²	126.2	77%	0.774	64%	0.64	S	S	*	*			trans	-111.7	112	152.3	-61	177.5	0	0	0	108.9	L957	I955-L957 HydrophobicContact CG2-CB 4.47Å
956	R	32	Very low	40.4	Very low	230 Å²	230	129.1 Å²	129.1	87%	0.868	65%	0.651	S	S	*	*			trans	-89.1	109.9	161.8	-82.9	-169.2	179.1	-169.1	3.6	108.4
957	L	29	Very low	38.9	Very low	156 Å²	156	135 Å²	135	82%	0.817	67%	0.667	S	S	*	*			trans	-150.9	165.3	161.3	-113.4	168.6	0	0	0	112	I955	I955-L957 HydrophobicContact CG2-CB 4.47Å
958	K	28.4	Very low	37.7	Very low	179 Å²	179	138.9 Å²	138.9	78%	0.778	68%	0.684	S	S	*	*			trans	-87.6	153.1	-157.9	-61.6	173.9	-178.2	176	0	113.4	V960	K958-V960 PolarHBondContact O-N 2.86Å
959	Q	31.5	Very low	37.7	Very low	193 Å²	193	135.7 Å²	135.7	90%	0.902	67%	0.667	S	S	*	*			trans	20.8	92.7	158.4	-68.5	176.1	-58	0	0	117.8
960	V	31.3	Very low	38.2	Very low	144 Å²	144	132.7 Å²	132.7	87%	0.873	65%	0.654	S	S	*	*			trans	-127.3	132	142.8	-179.6	0	0	0	0	108	K958	K958-V960 PolarHBondContact O-N 2.86Å
961	S	29.8	Very low	39.6	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	64%	0.642	S	S	*	*			trans	-78.2	158.2	-175.2	56.6	0	0	0	0	113.4
962	S	28.8	Very low	41.2	Very low	59 Å²	59	125.2 Å²	125.2	41%	0.413	62%	0.62	S	S	.	*	S	Bend	trans	91.7	102.9	160.5	90.7	0	0	0	0	117.3	K1155	S962-K1155 PolarHBondContact O-NZ 3.12Å; S962-K1155 WeakPolarHBondContact OG-CD 3.49Å; S962-K1155 PolarHBondContact OG-NZ 2.85Å
963	G	31.7	Very low	43	Very low	32 Å²	32	119.3 Å²	119.3	33%	0.33	59%	0.594	S	S	.	*			trans	49.1	101	144.8	0	0	0	0	0	120	K1155	G963-K1155 VanDerWaalsContact O-CE 3.24Å; G963-K1155 WeakPolarHBondContact O-CE 3.19Å; G963-K1155 PolarHBondContact O-NZ 3.08Å
964	I	34.1	Very low	44.7	Very low	165 Å²	165	116.2 Å²	116.2	85%	0.846	58%	0.575	S	S	*	*			trans	-134.8	143	153.7	-63.2	179	0	0	0	106.4
965	N	34.7	Very low	46.5	Very low	160 Å²	160	111.7 Å²	111.7	86%	0.856	56%	0.556	S	S	*	*			trans	-71.6	146.4	-176.5	-70.7	-12.9	0	0	0	112.6	R967	N965-R967 PolarHBondContact O-N 2.96Å
966	K	41.6	Very low	48.2	Very low	178 Å²	178	107.4 Å²	107.4	77%	0.774	53%	0.534	S	S	*	.			trans	-79.7	100.6	178.2	-74.9	-177.6	178	175.2	0	111.8	Y1158	K966-Y1158 PolarHBondContact NZ-OH 2.85Å
967	R	45.9	Very low	49.8	Very low	214 Å²	214	99 Å²	99	81%	0.808	51%	0.506	S	S	*	.			trans	49.2	101.7	141.8	-63.1	179.2	177.9	174.6	-2.8	118.9	N965 L969	N965-R967 PolarHBondContact O-N 2.96Å; R967-L969 HydrophobicContact CB-CD1 3.77Å; R967-L969 HydrophobicContact CG-CD1 3.96Å
968	Q	49.2	Very low	51.3	Low	97 Å²	97	95.1 Å²	95.1	45%	0.453	49%	0.486	S	S	.	.			trans	-89	142.4	132.1	-73.5	173.3	-89.9	0	0	107.8
969	L	57.3	Low	52.6	Low	45 Å²	45	89.1 Å²	89.1	24%	0.236	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.1	171.6	-96.5	72.3	0	0	0	110.2	R967 W971 S1012	R967-L969 HydrophobicContact CB-CD1 3.77Å; R967-L969 HydrophobicContact CG-CD1 3.96Å; L969-W971 HydrophobicContact CB-CE3 4.1Å; L969-W971 HydrophobicContact CB-CZ3 3.96Å; L969-W971 HydrophobicContact CD2-CZ3 4.4Å; L969-S1012 PolarHBondContact N-O 3.16Å; L969-S1012 VanDerWaalsContact N-O 3.13Å; L969-S1012 CarbonylContact O-C 3.55Å; L969-S1012 PolarHBondContact O-N 3.2Å; L969-S1012 VanDerWaalsContact O-N 3.15Å
970	I	68.4	Low	53.6	Low	21 Å²	21	83.8 Å²	83.8	11%	0.108	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.7	168.8	-59.6	174.1	0	0	0	106.8	V947 E949 N950 L1009 F1010 L1011	V947-I970 HydrophobicContact CG1-CG2 3.41Å; V947-I970 VanDerWaalsContact CG1-CG2 3.41Å; E949-I970 WeakPolarHBondContact CA-O 3.24Å; N950-I970 PolarHBondContact N-O 3.42Å; I970-L1009 HydrophobicContact CG2-CD1 3.8Å; I970-F1010 WeakPolarHBondContact CA-O 3.15Å; I970-L1011 HydrophobicContact CD1-CD2 4.08Å; I970-L1011 HydrophobicContact CG1-CD2 4.07Å; I970-L1011 HydrophobicContact CG2-CD2 3.93Å
971	W	73.8	Confident	54.6	Low	74 Å²	74	79 Å²	79	28%	0.28	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	165	178.9	73.5	92.7	0	0	0	111.6	L969 F1010	L969-W971 HydrophobicContact CB-CE3 4.1Å; L969-W971 HydrophobicContact CB-CZ3 3.96Å; L969-W971 HydrophobicContact CD2-CZ3 4.4Å; W971-F1010 AromaticContact CD1-CD2 3.62Å; W971-F1010 HydrophobicContact CD2-CB 3.62Å; W971-F1010 HydrophobicContact CD2-CD2 4.39Å; W971-F1010 HydrophobicContact CD2-CG 4.06Å; W971-F1010 VanDerWaalsContact CE2-CB 3.43Å; W971-F1010 AromaticContact CE2-CD1 3.72Å; W971-F1010 AromaticContact CE2-CD2 3.79Å; W971-F1010 AromaticContact CE2-CG 3.38Å; W971-F1010 HydrophobicContact CE3-CB 3.94Å; W971-F1010 HydrophobicContact CG-CB 4.18Å; W971-F1010 HydrophobicContact CG-CD2 4.31Å; W971-F1010 HydrophobicContact CG-CG 4.44Å; W971-F1010 HydrophobicContact CH2-CB 3.94Å; W971-F1010 HydrophobicContact CH2-CD1 4.24Å; W971-F1010 HydrophobicContact CH2-CG 4.35Å; W971-F1010 HydrophobicContact CZ2-CB 3.61Å; W971-F1010 AromaticContact CZ2-CD1 3.43Å; W971-F1010 HydrophobicContact CZ2-CD1 3.43Å; W971-F1010 VanDerWaalsContact CZ2-CD1 3.43Å; W971-F1010 HydrophobicContact CZ2-CD2 4.37Å; W971-F1010 HydrophobicContact CZ2-CE1 4.16Å; W971-F1010 AromaticContact CZ2-CG 3.57Å; W971-F1010 HydrophobicContact CZ2-CG 3.57Å; W971-F1010 HydrophobicContact CZ3-CB 4.08Å; W971-F1010 PolarHBondContact N-O 2.93Å; W971-F1010 AromaticContact NE1-CD1 3.83Å; W971-F1010 AromaticContact NE1-CD2 3.25Å; W971-F1010 AromaticContact NE1-CE2 3.65Å; W971-F1010 AromaticContact NE1-CG 3.36Å; W971-F1010 PolarHBondContact O-N 3.39Å
972	T	76.2	Confident	55.1	Low	13 Å²	13	82.7 Å²	82.7	8%	0.08	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.2	-175.1	68.6	0	0	0	0	111.9	K923 W927 E949 R1008 L1009	K923-T972 PolarHBondContact NZ-O 2.71Å; K923-T972 PolarHBondContact NZ-OG1 2.77Å; W927-T972 HydrophobicContact CB-CG2 4.24Å; W927-T972 HydrophobicContact CG-CG2 3.9Å; E949-T972 WeakPolarHBondContact OE1-CA 3.27Å; E949-T972 WeakPolarHBondContact OE1-CB 3.43Å; E949-T972 PolarHBondContact OE1-N 3.13Å; E949-T972 PolarHBondContact OE1-OG1 3.27Å; T972-R1008 WeakPolarHBondContact CA-O 3.23Å; T972-R1008 VanDerWaalsContact CB-O 3.23Å; T972-R1008 WeakPolarHBondContact CB-O 3.36Å; T972-L1009 HydrophobicContact CG2-CB 4.25Å; T972-L1009 HydrophobicContact CG2-CD1 3.67Å
973	D	76	Confident	55.9	Low	44 Å²	44	82.3 Å²	82.3	24%	0.235	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	179.6	173.2	76.5	26.9	0	0	0	112.1	Y925 R1008	Y925-D973 VanDerWaalsContact OH-CA 3.29Å; Y925-D973 WeakPolarHBondContact OH-CA 3.33Å; D973-R1008 PolarHBondContact N-O 2.98Å; D973-R1008 VanDerWaalsContact N-O 3.09Å; D973-R1008 PolarHBondContact O-N 3.28Å; D973-R1008 WeakPolarHBondContact OD1-CB 3.43Å; D973-R1008 IonicContact OD1-CZ 2.71Å; D973-R1008 IonicContact OD1-NE 2.66Å; D973-R1008 PolarHBondContact OD1-NE 2.83Å; D973-R1008 IonicContact OD1-NH2 3.63Å; D973-R1008 PolarHBondContact OD1-NH2 2.8Å; D973-R1008 IonicContact OD2-CZ 2.79Å; D973-R1008 IonicContact OD2-NE 3.72Å; D973-R1008 PolarHBondContact OD2-NE 3.14Å; D973-R1008 IonicContact OD2-NH2 2.6Å; D973-R1008 PolarHBondContact OD2-NH2 3.23Å
974	A	71.6	Confident	56.3	Low	26 Å²	26	84.6 Å²	84.6	22%	0.215	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.4	172.2	0	0	0	0	0	110.8	I889 Y925 V1006 Y1007	I889-A974 HydrophobicContact CD1-CB 3.96Å; Y925-A974 HydrophobicContact CD1-CB 4.38Å; Y925-A974 HydrophobicContact CE1-CB 3.85Å; A974-V1006 CarbonylContact C-O 3.48Å; A974-V1006 VanDerWaalsContact CA-O 3.3Å; A974-V1006 WeakPolarHBondContact CA-O 3.24Å; A974-Y1007 HydrophobicContact CB-CD1 3.53Å; A974-Y1007 HydrophobicContact CB-CE1 3.83Å; A974-Y1007 HydrophobicContact CB-CG 4.28Å
975	I	72.2	Confident	56.6	Low	62 Å²	62	79.3 Å²	79.3	32%	0.318	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.4	-177.4	61.5	178.3	0	0	0	111.5	I977 I1005 V1006	I975-I977 HydrophobicContact CD1-CD1 4.06Å; I975-I977 HydrophobicContact CD1-CG1 4.36Å; I975-I977 HydrophobicContact CG1-CD1 4.43Å; I975-I977 HydrophobicContact CG1-CG1 4.37Å; I975-I1005 WeakPolarHBondContact O-CA 3.22Å; I975-V1006 HydrophobicContact CD1-CB 4.41Å; I975-V1006 HydrophobicContact CG1-CB 3.85Å; I975-V1006 PolarHBondContact N-O 2.87Å; I975-V1006 PolarHBondContact O-N 2.83Å
976	L	68.9	Low	57	Low	61 Å²	61	77.1 Å²	77.1	32%	0.319	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.9	174.3	-175.8	68	0	0	0	110.2	V885 I889 P1003 I1005	V885-L976 HydrophobicContact CG1-CD1 4.42Å; I889-L976 HydrophobicContact CG2-CB 4.01Å; L976-P1003 HydrophobicContact CD1-CB 4.33Å; L976-I1005 HydrophobicContact CD1-CG1 3.79Å
977	I	65.3	Low	56.5	Low	55 Å²	55	77.4 Å²	77.4	28%	0.282	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.3	-177.9	-52.1	-175.6	0	0	0	109.4	I975 F979 T1004 V1006	I975-I977 HydrophobicContact CD1-CD1 4.06Å; I975-I977 HydrophobicContact CD1-CG1 4.36Å; I975-I977 HydrophobicContact CG1-CD1 4.43Å; I975-I977 HydrophobicContact CG1-CG1 4.37Å; I977-F979 HydrophobicContact CB-CE2 4.21Å; I977-F979 HydrophobicContact CG2-CD2 4.11Å; I977-F979 HydrophobicContact CG2-CE2 3.9Å; I977-F979 HydrophobicContact CG2-CZ 4.24Å; I977-F979 PolarHBondContact O-N 2.85Å; I977-T1004 PolarHBondContact N-O 2.77Å; I977-T1004 PolarHBondContact O-N 2.86Å; I977-V1006 HydrophobicContact CD1-CB 4.43Å; I977-V1006 HydrophobicContact CD1-CG2 3.63Å; I977-V1006 HydrophobicContact CG1-CG2 4.24Å
978	D	61.6	Low	56	Low	74 Å²	74	73.5 Å²	73.5	40%	0.396	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.3	167	-68.6	-29.7	0	0	0	109.1	P980 K1001	D978-P980 WeakPolarHBondContact O-CD 3.35Å; D978-K1001 HydrophobicContact CB-CB 4.13Å; D978-K1001 HydrophobicContact CB-CD 3.92Å; D978-K1001 HydrophobicContact CB-CG 4.1Å; D978-K1001 WeakPolarHBondContact OD2-CD 3.24Å; D978-K1001 WeakPolarHBondContact OD2-CE 3.43Å; D978-K1001 IonicContact OD2-NZ 2.77Å; D978-K1001 PolarHBondContact OD2-NZ 2.94Å
979	F	55.1	Low	55.2	Low	52 Å²	52	79.4 Å²	79.4	23%	0.228	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.7	168.6	-79.3	-84.4	0	0	0	109.7	W799 I977 I1002 T1004	W799-F979 AromaticContact CH2-CD1 3.8Å; W799-F979 HydrophobicContact CH2-CD1 3.8Å; W799-F979 HydrophobicContact CH2-CD2 4.23Å; W799-F979 AromaticContact CH2-CE1 3.93Å; W799-F979 HydrophobicContact CH2-CE1 3.93Å; W799-F979 HydrophobicContact CH2-CE2 4.35Å; W799-F979 AromaticContact CH2-CG 3.95Å; W799-F979 HydrophobicContact CH2-CG 3.95Å; W799-F979 HydrophobicContact CH2-CZ 4.21Å; W799-F979 HydrophobicContact CZ3-CB 4.22Å; W799-F979 AromaticContact CZ3-CD1 3.66Å; W799-F979 HydrophobicContact CZ3-CD1 3.66Å; W799-F979 HydrophobicContact CZ3-CE1 4.17Å; W799-F979 AromaticContact CZ3-CG 3.92Å; W799-F979 HydrophobicContact CZ3-CG 3.92Å; I977-F979 HydrophobicContact CB-CE2 4.21Å; I977-F979 HydrophobicContact CG2-CD2 4.11Å; I977-F979 HydrophobicContact CG2-CE2 3.9Å; I977-F979 HydrophobicContact CG2-CZ 4.24Å; I977-F979 PolarHBondContact O-N 2.85Å; F979-I1002 PolarHBondContact N-O 3.48Å; F979-I1002 VanDerWaalsContact N-O 3.07Å; F979-I1002 PolarHBondContact O-N 2.74Å; F979-T1004 HydrophobicContact CD2-CG2 4.07Å; F979-T1004 WeakPolarHBondContact CD2-OG1 3.42Å; F979-T1004 HydrophobicContact CE2-CG2 3.95Å
980	P	51.3	Low	54.2	Low	81 Å²	81	86.1 Å²	86.1	53%	0.526	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.1	175.9	30.6	-32.2	0	0	0	110.6	D978 L999	D978-P980 WeakPolarHBondContact O-CD 3.35Å; P980-L999 HydrophobicContact CB-CD2 4.16Å
981	Y	52.1	Low	52.4	Low	43 Å²	43	92.4 Å²	92.4	17%	0.169	45%	0.45	C	S	.	.			trans	-114.7	136.3	170.1	-170.5	-98.8	0	0	0	110.1	P796 W799 S802 I807	P796-Y981 HydrophobicContact CG-CE1 4.46Å; P796-Y981 HydrophobicContact CG-CE2 4.43Å; W799-Y981 HydrophobicContact CB-CD2 4.5Å; W799-Y981 HydrophobicContact CB-CE2 4.48Å; S802-Y981 PolarHBondContact OG-OH 3.48Å; I807-Y981 HydrophobicContact CD1-CE1 3.98Å
982	Y	41.8	Very low	50.4	Low	181 Å²	181	95.8 Å²	95.8	71%	0.71	47%	0.474	S	S	*	.			trans	-86.9	119.1	-178.3	-73.4	-87	0	0	0	110.9	L999	Y982-L999 HydrophobicContact CD1-CD2 4.39Å; Y982-L999 HydrophobicContact CE1-CD2 4.5Å
983	D	44.5	Very low	48.2	Very low	50 Å²	50	100.8 Å²	100.8	27%	0.267	51%	0.509	S	S	.	.			trans	-84.9	113.2	167.8	-170	-21	0	0	0	109	R792 D985	R792-D983 IonicContact CZ-OD1 3.96Å; R792-D983 IonicContact CZ-OD2 2.71Å; R792-D983 IonicContact NH1-OD1 3.55Å; R792-D983 IonicContact NH1-OD2 3.44Å; R792-D983 PolarHBondContact NH1-OD2 2.88Å; R792-D983 VanDerWaalsContact NH2-CG 3.33Å; R792-D983 IonicContact NH2-OD1 3.65Å; R792-D983 PolarHBondContact NH2-OD1 2.74Å; R792-D983 IonicContact NH2-OD2 2.6Å; R792-D983 PolarHBondContact NH2-OD2 2.89Å; D983-D985 PolarHBondContact OD1-N 3.33Å
984	T	41.1	Very low	46.1	Very low	81 Å²	81	108.3 Å²	108.3	50%	0.497	54%	0.543	S	S	.	.			trans	-84.8	-14.2	-174.1	46.8	0	0	0	0	114.3	I986	T984-I986 VanDerWaalsContact C-N 3.29Å; T984-I986 PolarHBondContact O-N 2.75Å
985	D	41.1	Very low	44.1	Very low	53 Å²	53	112.5 Å²	112.5	28%	0.283	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-79	-7.8	-166	-67.2	-14.7	0	0	0	114.3	R792 F809 D983 Q987 I988	R792-D985 IonicContact CZ-OD2 3.55Å; R792-D985 IonicContact NE-OD2 3.48Å; R792-D985 IonicContact NH2-OD2 3.02Å; R792-D985 PolarHBondContact NH2-OD2 2.03Å; F809-D985 WeakPolarHBondContact CE2-OD2 3.19Å; D983-D985 PolarHBondContact OD1-N 3.33Å; D985-Q987 PolarHBondContact O-N 2.84Å; D985-Q987 VanDerWaalsContact O-N 3.14Å; D985-I988 PolarHBondContact O-N 2.88Å
986	I	41.1	Very low	42.3	Very low	114 Å²	114	120.7 Å²	120.7	59%	0.585	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-66.9	-14.1	-178	-63.7	179.1	0	0	0	112.4	T984 I988	T984-I986 VanDerWaalsContact C-N 3.29Å; T984-I986 PolarHBondContact O-N 2.75Å; I986-I988 PolarHBondContact O-N 2.8Å
987	Q	31.8	Very low	40.6	Very low	185 Å²	185	122.2 Å²	122.2	86%	0.864	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-81.7	-1	-178.8	-62.8	-156.9	7.8	0	0	115.9	D985	D985-Q987 PolarHBondContact O-N 2.84Å; D985-Q987 VanDerWaalsContact O-N 3.14Å
988	I	36.2	Very low	39.3	Very low	132 Å²	132	125.2 Å²	125.2	68%	0.677	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-123.1	47.3	-179.4	-36.2	-176.4	0	0	0	113.8	D985 I986	D985-I988 PolarHBondContact O-N 2.88Å; I986-I988 PolarHBondContact O-N 2.8Å
989	R	32.4	Very low	38.4	Very low	220 Å²	220	125.6 Å²	125.6	83%	0.83	64%	0.636	S	S	*	*	S	Bend	trans	-179.8	151.9	133.2	-97.3	151.1	-153.8	-121.1	4.1	113.2
990	Q	36.1	Very low	38.2	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	64%	0.642	S	S	*	*			trans	66.8	98	164.2	-69.4	170.7	-60.2	0	0	116.8	D992	Q990-D992 PolarHBondContact O-N 3.43Å
991	N	29.9	Very low	38.4	Very low	153 Å²	153	129.9 Å²	129.9	82%	0.818	64%	0.644	S	S	*	*			trans	-53	121.7	136.4	-60.8	-16.6	0	0	0	108
992	D	31.2	Very low	39	Very low	145 Å²	145	128.5 Å²	128.5	78%	0.775	64%	0.639	S	S	*	*				176.5	132.4	123.8	-88.9	-19.2	0	0	0	110.6	Q990	Q990-D992 PolarHBondContact O-N 3.43Å
993	S	30.9	Very low	40.1	Very low	118 Å²	118	122.2 Å²	122.2	83%	0.825	62%	0.62	S	S	*	*	S	Bend	trans	62.2	151.5	169.8	68.2	0	0	0	0	119	S995	S993-S995 PolarHBondContact O-N 3.02Å
994	E	32.2	Very low	41.4	Very low	202 Å²	202	119.8 Å²	119.8	94%	0.944	61%	0.608	S	S	*	*			trans	-54.4	113.4	-169.3	-56	172.7	121.4	0	0	115.1
995	S	29.7	Very low	43.1	Very low	115 Å²	115	116 Å²	116	80%	0.804	58%	0.584	S	S	*	*			trans	-140.3	133.6	154.4	61.6	0	0	0	0	111	S993	S993-S995 PolarHBondContact O-N 3.02Å
996	R	33.6	Very low	44.8	Very low	233 Å²	233	113.6 Å²	113.6	88%	0.879	57%	0.571	S	S	*	*			trans	-62.8	135.3	177.2	-85.3	176.4	164.8	159.1	-5.2	109.8	T998	R996-T998 PolarHBondContact O-N 2.87Å
997	S	34.4	Very low	46.7	Very low	94 Å²	94	108.3 Å²	108.3	66%	0.657	54%	0.544	S	S	*	.			trans	-58.1	101.1	164	54.9	0	0	0	0	110.1	L999	S997-L999 VanDerWaalsContact C-N 3.31Å; S997-L999 PolarHBondContact O-N 2.71Å
998	T	36.6	Very low	48.8	Very low	117 Å²	117	102.1 Å²	102.1	72%	0.718	51%	0.513	S	S	*	.			trans	-78.3	79.1	-177.5	37.2	0	0	0	0	110.9	R996 R1000	R996-T998 PolarHBondContact O-N 2.87Å; T998-R1000 PolarHBondContact O-N 3.48Å
999	L	42.6	Very low	51	Low	83 Å²	83	95.8 Å²	95.8	44%	0.435	48%	0.48	S	S	.	.			trans	-43	105.8	166.3	-84.7	156.3	0	0	0	110.2	P980 Y982 S997 K1001	P980-L999 HydrophobicContact CB-CD2 4.16Å; Y982-L999 HydrophobicContact CD1-CD2 4.39Å; Y982-L999 HydrophobicContact CE1-CD2 4.5Å; S997-L999 VanDerWaalsContact C-N 3.31Å; S997-L999 PolarHBondContact O-N 2.71Å; L999-K1001 PolarHBondContact O-N 2.66Å
1000	R	51.8	Low	53.1	Low	94 Å²	94	86.8 Å²	86.8	36%	0.355	45%	0.447	S	S	.	.			trans	-68.4	101.5	171.5	-76.9	-173.1	175.1	-175.2	0.1	107.1	D832 T998	D832-R1000 IonicContact OD2-CZ 3.63Å; D832-R1000 IonicContact OD2-NH1 2.7Å; D832-R1000 IonicContact OD2-NH2 3.5Å; D832-R1000 PolarHBondContact OD2-NH2 3.02Å; T998-R1000 PolarHBondContact O-N 3.48Å
1001	K	55	Low	55.1	Low	129 Å²	129	78 Å²	78	56%	0.561	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.9	176.4	-72.8	172.4	151.8	-158.3	0	110.3	D978 L999 P1003	D978-K1001 HydrophobicContact CB-CB 4.13Å; D978-K1001 HydrophobicContact CB-CD 3.92Å; D978-K1001 HydrophobicContact CB-CG 4.1Å; D978-K1001 WeakPolarHBondContact OD2-CD 3.24Å; D978-K1001 WeakPolarHBondContact OD2-CE 3.43Å; D978-K1001 IonicContact OD2-NZ 2.77Å; D978-K1001 PolarHBondContact OD2-NZ 2.94Å; L999-K1001 PolarHBondContact O-N 2.66Å; K1001-P1003 WeakPolarHBondContact O-CD 3.3Å
1002	I	64.3	Low	56.9	Low	14 Å²	14	71.8 Å²	71.8	7%	0.072	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.8	173.6	-54	-179.9	0	0	0	108.6	W881 F979 T1004	W881-I1002 HydrophobicContact CD2-CG2 4.37Å; W881-I1002 HydrophobicContact CZ2-CD1 4.36Å; W881-I1002 HydrophobicContact CZ2-CG2 3.93Å; F979-I1002 PolarHBondContact N-O 3.48Å; F979-I1002 VanDerWaalsContact N-O 3.07Å; F979-I1002 PolarHBondContact O-N 2.74Å; I1002-T1004 PolarHBondContact O-N 3.11Å; I1002-T1004 PolarHBondContact O-OG1 2.9Å
1003	P	65.6	Low	58.4	Low	48 Å²	48	67.4 Å²	67.4	31%	0.312	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.9	179.6	28.2	-33.6	0	0	0	110.1	V885 L976 K1001	V885-P1003 HydrophobicContact CG2-CB 4.48Å; V885-P1003 HydrophobicContact CG2-CG 4.44Å; L976-P1003 HydrophobicContact CD1-CB 4.33Å; K1001-P1003 WeakPolarHBondContact O-CD 3.3Å
1004	T	71.2	Confident	60.4	Low	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.2	-174.3	-54.3	0	0	0	0	109.5	H879 W881 I977 F979 I1002	H879-T1004 HydrophobicContact CB-CG2 4.38Å; W881-T1004 VanDerWaalsContact CD1-OG1 3.28Å; W881-T1004 PolarHBondContact NE1-OG1 2.85Å; I977-T1004 PolarHBondContact N-O 2.77Å; I977-T1004 PolarHBondContact O-N 2.86Å; F979-T1004 HydrophobicContact CD2-CG2 4.07Å; F979-T1004 WeakPolarHBondContact CD2-OG1 3.42Å; F979-T1004 HydrophobicContact CE2-CG2 3.95Å; I1002-T1004 PolarHBondContact O-N 3.11Å; I1002-T1004 PolarHBondContact O-OG1 2.9Å
1005	I	76.4	Confident	62.3	Low	2 Å²	2	54 Å²	54	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.3	177.1	-61.3	162.7	0	0	0	109.1	H879 I880 V885 P886 I889 I975 L976 Y1007	H879-I1005 CarbonylContact C-O 3.56Å; H879-I1005 WeakPolarHBondContact CA-O 3.49Å; I880-I1005 PolarHBondContact N-O 3.17Å; I880-I1005 PolarHBondContact O-N 2.88Å; V885-I1005 HydrophobicContact CG1-CD1 3.96Å; V885-I1005 HydrophobicContact CG1-CG1 4.45Å; P886-I1005 HydrophobicContact CG-CD1 4.02Å; I889-I1005 HydrophobicContact CD1-CB 4.49Å; I889-I1005 HydrophobicContact CD1-CD1 4.08Å; I889-I1005 HydrophobicContact CD1-CG1 4.23Å; I889-I1005 HydrophobicContact CD1-CG2 3.42Å; I889-I1005 VanDerWaalsContact CD1-CG2 3.42Å; I975-I1005 WeakPolarHBondContact O-CA 3.22Å; L976-I1005 HydrophobicContact CD1-CG1 3.79Å; I1005-Y1007 HydrophobicContact CB-CE2 4.04Å; I1005-Y1007 HydrophobicContact CG2-CD2 3.76Å; I1005-Y1007 HydrophobicContact CG2-CE1 4.21Å; I1005-Y1007 HydrophobicContact CG2-CE2 3.28Å; I1005-Y1007 HydrophobicContact CG2-CG 4.41Å
1006	V	77.5	Confident	64.3	Low	1 Å²	1	55.6 Å²	55.6	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.3	171	-177.3	0	0	0	0	109.5	E877 L878 A974 I975 I977 R1008	E877-V1006 HydrophobicContact CB-CG1 3.86Å; E877-V1006 HydrophobicContact CG-CG1 4.44Å; L878-V1006 VanDerWaalsContact O-CA 3.3Å; L878-V1006 WeakPolarHBondContact O-CA 3.43Å; A974-V1006 CarbonylContact C-O 3.48Å; A974-V1006 VanDerWaalsContact CA-O 3.3Å; A974-V1006 WeakPolarHBondContact CA-O 3.24Å; I975-V1006 HydrophobicContact CD1-CB 4.41Å; I975-V1006 HydrophobicContact CG1-CB 3.85Å; I975-V1006 PolarHBondContact N-O 2.87Å; I975-V1006 PolarHBondContact O-N 2.83Å; I977-V1006 HydrophobicContact CD1-CB 4.43Å; I977-V1006 HydrophobicContact CD1-CG2 3.63Å; I977-V1006 HydrophobicContact CG1-CG2 4.24Å; V1006-R1008 HydrophobicContact CG1-CG 4.04Å
1007	Y	80.7	Confident	66.3	Low	3 Å²	3	52.8 Å²	52.8	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.4	174.2	-63.9	-90.5	0	0	0	110.2	E877 L878 I880 I889 Y925 A974 I1005 L1026	E877-Y1007 CarbonylContact C-O 3.57Å; E877-Y1007 WeakPolarHBondContact CA-O 3.26Å; L878-Y1007 PolarHBondContact N-O 3.31Å; L878-Y1007 PolarHBondContact O-N 2.94Å; I880-Y1007 HydrophobicContact CD1-CD2 3.97Å; I880-Y1007 HydrophobicContact CD1-CE2 4.09Å; I889-Y1007 HydrophobicContact CD1-CE1 4.02Å; Y925-Y1007 AromaticContact CD1-CD1 3.78Å; Y925-Y1007 HydrophobicContact CD1-CD1 3.78Å; Y925-Y1007 AromaticContact CD1-CE1 3.6Å; Y925-Y1007 HydrophobicContact CD1-CE1 3.6Å; Y925-Y1007 AromaticContact CD2-CD1 3.99Å; Y925-Y1007 HydrophobicContact CD2-CD1 3.99Å; Y925-Y1007 HydrophobicContact CE1-CD1 4.34Å; Y925-Y1007 HydrophobicContact CE1-CE1 4.39Å; Y925-Y1007 AromaticContact CG-CD1 3.58Å; Y925-Y1007 HydrophobicContact CG-CD1 3.58Å; Y925-Y1007 AromaticContact CG-CE1 3.69Å; Y925-Y1007 HydrophobicContact CG-CE1 3.69Å; A974-Y1007 HydrophobicContact CB-CD1 3.53Å; A974-Y1007 HydrophobicContact CB-CE1 3.83Å; A974-Y1007 HydrophobicContact CB-CG 4.28Å; I1005-Y1007 HydrophobicContact CB-CE2 4.04Å; I1005-Y1007 HydrophobicContact CG2-CD2 3.76Å; I1005-Y1007 HydrophobicContact CG2-CE1 4.21Å; I1005-Y1007 HydrophobicContact CG2-CE2 3.28Å; I1005-Y1007 HydrophobicContact CG2-CG 4.41Å; Y1007-L1026 HydrophobicContact CD1-CD2 4Å; Y1007-L1026 HydrophobicContact CD2-CD1 4.26Å; Y1007-L1026 HydrophobicContact CD2-CD2 4.15Å; Y1007-L1026 HydrophobicContact CE1-CD2 3.63Å; Y1007-L1026 HydrophobicContact CE2-CD1 3.48Å; Y1007-L1026 VanDerWaalsContact CE2-CD1 3.48Å; Y1007-L1026 HydrophobicContact CE2-CD2 3.78Å; Y1007-L1026 HydrophobicContact CE2-CG 4.3Å; Y1007-L1026 HydrophobicContact CG-CD2 4.24Å
1008	R	77.2	Confident	68.3	Low	55 Å²	55	48.9 Å²	48.9	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.6	-172.1	-48	-166.8	-68.7	-179.1	2.8	114.2	V875 I876 E877 T972 D973 V1006 F1010	V875-R1008 HydrophobicContact CG1-CB 4.47Å; I876-R1008 CarbonylContact O-C 3.53Å; I876-R1008 WeakPolarHBondContact O-CA 3.47Å; E877-R1008 HydrophobicContact CB-CG 4.41Å; E877-R1008 HydrophobicContact CG-CG 3.91Å; E877-R1008 WeakPolarHBondContact OE1-CD 3.49Å; E877-R1008 IonicContact OE1-CZ 3.01Å; E877-R1008 IonicContact OE1-NE 3.91Å; E877-R1008 IonicContact OE1-NH1 2.65Å; E877-R1008 PolarHBondContact OE1-NH1 2.78Å; T972-R1008 WeakPolarHBondContact CA-O 3.23Å; T972-R1008 VanDerWaalsContact CB-O 3.23Å; T972-R1008 WeakPolarHBondContact CB-O 3.36Å; D973-R1008 PolarHBondContact N-O 2.98Å; D973-R1008 VanDerWaalsContact N-O 3.09Å; D973-R1008 PolarHBondContact O-N 3.28Å; D973-R1008 WeakPolarHBondContact OD1-CB 3.43Å; D973-R1008 IonicContact OD1-CZ 2.71Å; D973-R1008 IonicContact OD1-NE 2.66Å; D973-R1008 PolarHBondContact OD1-NE 2.83Å; D973-R1008 IonicContact OD1-NH2 3.63Å; D973-R1008 PolarHBondContact OD1-NH2 2.8Å; D973-R1008 IonicContact OD2-CZ 2.79Å; D973-R1008 IonicContact OD2-NE 3.72Å; D973-R1008 PolarHBondContact OD2-NE 3.14Å; D973-R1008 IonicContact OD2-NH2 2.6Å; D973-R1008 PolarHBondContact OD2-NH2 3.23Å; V1006-R1008 HydrophobicContact CG1-CG 4.04Å; R1008-F1010 HydrophobicContact CB-CE2 3.84Å; R1008-F1010 HydrophobicContact CB-CZ 4.44Å
1009	L	82	Confident	70.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.5	175.1	164.9	63.4	0	0	0	109.4	V875 I876 W927 V947 I970 T972 L1011 Y1022	V875-L1009 WeakPolarHBondContact CA-O 3.3Å; I876-L1009 HydrophobicContact CB-CB 4.3Å; I876-L1009 HydrophobicContact CD1-CD2 3.94Å; I876-L1009 HydrophobicContact CD1-CG 4.24Å; I876-L1009 PolarHBondContact N-O 3.01Å; I876-L1009 PolarHBondContact O-N 3.12Å; W927-L1009 HydrophobicContact CD2-CB 3.88Å; W927-L1009 HydrophobicContact CD2-CD2 4.02Å; W927-L1009 HydrophobicContact CD2-CG 4.48Å; W927-L1009 HydrophobicContact CE3-CB 4.12Å; W927-L1009 HydrophobicContact CE3-CD2 3.63Å; W927-L1009 HydrophobicContact CE3-CG 4.49Å; W927-L1009 HydrophobicContact CG-CB 4.43Å; W927-L1009 HydrophobicContact CH2-CB 4.05Å; W927-L1009 HydrophobicContact CZ2-CB 3.83Å; W927-L1009 HydrophobicContact CZ3-CB 4.2Å; W927-L1009 HydrophobicContact CZ3-CD2 3.95Å; V947-L1009 HydrophobicContact CG1-CD1 4.16Å; I970-L1009 HydrophobicContact CG2-CD1 3.8Å; T972-L1009 HydrophobicContact CG2-CB 4.25Å; T972-L1009 HydrophobicContact CG2-CD1 3.67Å; L1009-L1011 HydrophobicContact CD1-CD2 4.09Å; L1009-L1011 HydrophobicContact CG-CD2 4.3Å; L1009-L1011 HydrophobicContact CG-CG 4.36Å; L1009-Y1022 HydrophobicContact CD2-CD1 3.61Å; L1009-Y1022 HydrophobicContact CD2-CE1 3.88Å; L1009-Y1022 HydrophobicContact CD2-CG 4.17Å
1010	F	76.6	Confident	72.3	Confident	30 Å²	30	42.6 Å²	42.6	13%	0.132	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.4	-177.9	-63	-105	0	0	0	109.9	V875 I970 W971 R1008	V875-F1010 HydrophobicContact CB-CD1 4.28Å; V875-F1010 HydrophobicContact CB-CE1 4.37Å; V875-F1010 HydrophobicContact CG1-CD1 3.89Å; V875-F1010 HydrophobicContact CG1-CD2 4.44Å; V875-F1010 HydrophobicContact CG1-CE1 3.72Å; V875-F1010 HydrophobicContact CG1-CE2 4.3Å; V875-F1010 HydrophobicContact CG1-CG 4.24Å; V875-F1010 HydrophobicContact CG1-CZ 3.93Å; V875-F1010 HydrophobicContact CG2-CD1 3.48Å; V875-F1010 VanDerWaalsContact CG2-CD1 3.48Å; V875-F1010 HydrophobicContact CG2-CE1 3.65Å; V875-F1010 HydrophobicContact CG2-CG 4.36Å; I970-F1010 WeakPolarHBondContact CA-O 3.15Å; W971-F1010 AromaticContact CD1-CD2 3.62Å; W971-F1010 HydrophobicContact CD2-CB 3.62Å; W971-F1010 HydrophobicContact CD2-CD2 4.39Å; W971-F1010 HydrophobicContact CD2-CG 4.06Å; W971-F1010 VanDerWaalsContact CE2-CB 3.43Å; W971-F1010 AromaticContact CE2-CD1 3.72Å; W971-F1010 AromaticContact CE2-CD2 3.79Å; W971-F1010 AromaticContact CE2-CG 3.38Å; W971-F1010 HydrophobicContact CE3-CB 3.94Å; W971-F1010 HydrophobicContact CG-CB 4.18Å; W971-F1010 HydrophobicContact CG-CD2 4.31Å; W971-F1010 HydrophobicContact CG-CG 4.44Å; W971-F1010 HydrophobicContact CH2-CB 3.94Å; W971-F1010 HydrophobicContact CH2-CD1 4.24Å; W971-F1010 HydrophobicContact CH2-CG 4.35Å; W971-F1010 HydrophobicContact CZ2-CB 3.61Å; W971-F1010 AromaticContact CZ2-CD1 3.43Å; W971-F1010 HydrophobicContact CZ2-CD1 3.43Å; W971-F1010 VanDerWaalsContact CZ2-CD1 3.43Å; W971-F1010 HydrophobicContact CZ2-CD2 4.37Å; W971-F1010 HydrophobicContact CZ2-CE1 4.16Å; W971-F1010 AromaticContact CZ2-CG 3.57Å; W971-F1010 HydrophobicContact CZ2-CG 3.57Å; W971-F1010 HydrophobicContact CZ3-CB 4.08Å; W971-F1010 PolarHBondContact N-O 2.93Å; W971-F1010 AromaticContact NE1-CD1 3.83Å; W971-F1010 AromaticContact NE1-CD2 3.25Å; W971-F1010 AromaticContact NE1-CE2 3.65Å; W971-F1010 AromaticContact NE1-CG 3.36Å; W971-F1010 PolarHBondContact O-N 3.39Å; R1008-F1010 HydrophobicContact CB-CE2 3.84Å; R1008-F1010 HydrophobicContact CB-CZ 4.44Å
1011	L	76.7	Confident	73.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.9	179.4	-59.3	173.1	0	0	0	108.8	T874 I876 I970 L1009 I1014 V1039	T874-L1011 PolarHBondContact N-O 2.94Å; T874-L1011 PolarHBondContact O-N 2.88Å; I876-L1011 HydrophobicContact CD1-CD1 3.97Å; I970-L1011 HydrophobicContact CD1-CD2 4.08Å; I970-L1011 HydrophobicContact CG1-CD2 4.07Å; I970-L1011 HydrophobicContact CG2-CD2 3.93Å; L1009-L1011 HydrophobicContact CD1-CD2 4.09Å; L1009-L1011 HydrophobicContact CG-CD2 4.3Å; L1009-L1011 HydrophobicContact CG-CG 4.36Å; L1011-I1014 HydrophobicContact CB-CD1 3.98Å; L1011-I1014 HydrophobicContact CB-CG1 3.5Å; L1011-I1014 HydrophobicContact CD1-CD1 3.98Å; L1011-I1014 HydrophobicContact CD1-CG1 4.12Å; L1011-I1014 HydrophobicContact CG-CG1 4.44Å; L1011-V1039 HydrophobicContact CD1-CG1 4.47Å; L1011-V1039 HydrophobicContact CD1-CG2 4.24Å
1012	S	68.6	Low	75.3	Confident	23 Å²	23	33.3 Å²	33.3	16%	0.161	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	103.5	-164	169.3	0	0	0	0	114.5	H873 L969	H873-S1012 PolarHBondContact CE1-OG 2.96Å; H873-S1012 PolarHBondContact ND1-OG 3.49Å; L969-S1012 PolarHBondContact N-O 3.16Å; L969-S1012 VanDerWaalsContact N-O 3.13Å; L969-S1012 CarbonylContact O-C 3.55Å; L969-S1012 PolarHBondContact O-N 3.2Å; L969-S1012 VanDerWaalsContact O-N 3.15Å
1013	P	63.9	Low	76.3	Confident	53 Å²	53	32.6 Å²	32.6	34%	0.344	17%	0.167	S	C	.	.	S	Bend	cis	-79.1	153.6	-15.5	33.7	-34.2	0	0	0	111.7	S872	S872-P1013 CarbonylContact O-C 3.53Å; S872-P1013 WeakPolarHBondContact O-CA 2.87Å
1014	I	72.3	Confident	77.2	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.152	C	C	.	.			trans	-63.5	137.9	171.2	-81.3	177.5	0	0	0	111	A868 G871 S872 T874 L1011 D1018 Y1019 V1039	A868-I1014 HydrophobicContact CB-CD1 3.48Å; A868-I1014 VanDerWaalsContact CB-CD1 3.48Å; G871-I1014 PolarHBondContact N-O 3.2Å; S872-I1014 PolarHBondContact O-N 3.46Å; T874-I1014 HydrophobicContact CG2-CD1 4.27Å; T874-I1014 WeakPolarHBondContact OG1-CD1 3.12Å; L1011-I1014 HydrophobicContact CB-CD1 3.98Å; L1011-I1014 HydrophobicContact CB-CG1 3.5Å; L1011-I1014 HydrophobicContact CD1-CD1 3.98Å; L1011-I1014 HydrophobicContact CD1-CG1 4.12Å; L1011-I1014 HydrophobicContact CG-CG1 4.44Å; I1014-D1018 HydrophobicContact CG1-CB 4.47Å; I1014-D1018 HydrophobicContact CG2-CB 4.39Å; I1014-Y1019 HydrophobicContact CG2-CE1 4.1Å; I1014-V1039 HydrophobicContact CD1-CG1 4.3Å
1015	T	72.6	Confident	77.9	Confident	36 Å²	36	30.8 Å²	30.8	22%	0.221	15%	0.154	C	C	.	.			trans	-116.1	167.7	170.2	69.1	0	0	0	0	110.4	K1017 D1018	T1015-K1017 PolarHBondContact O-N 2.94Å; T1015-K1017 PolarHBondContact OG1-N 3.44Å; T1015-D1018 WeakPolarHBondContact CA-OD2 3.36Å; T1015-D1018 WeakPolarHBondContact CB-OD2 2.8Å; T1015-D1018 PolarHBondContact N-OD2 3.14Å; T1015-D1018 WeakPolarHBondContact O-CB 3.45Å; T1015-D1018 PolarHBondContact O-N 2.95Å; T1015-D1018 PolarHBondContact OG1-OD2 2.84Å
1016	E	70.4	Confident	78.2	Confident	150 Å²	150	30.9 Å²	30.9	70%	0.701	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-52.2	-29.5	171.8	-65	166.8	-159.7	0	0	112.9	V870 D1018 Y1019	V870-E1016 HydrophobicContact CG2-CG 3.9Å; E1016-D1018 PolarHBondContact O-N 2.76Å; E1016-Y1019 PolarHBondContact O-N 2.98Å
1017	K	75	Confident	78.2	Confident	173 Å²	173	35.5 Å²	35.5	75%	0.752	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-75.6	-10.1	178.8	-62.9	-175.2	179	-178.5	0	113.7	K929 T1015	K929-K1017 PolarHBondContact NZ-O 3.24Å; T1015-K1017 PolarHBondContact O-N 2.94Å; T1015-K1017 PolarHBondContact OG1-N 3.44Å
1018	D	77.6	Confident	77.8	Confident	13 Å²	13	36.4 Å²	36.4	7%	0.07	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-92.2	-7.2	176.4	-57.4	-67.6	0	0	0	112	I1014 T1015 E1016 Y1022	I1014-D1018 HydrophobicContact CG1-CB 4.47Å; I1014-D1018 HydrophobicContact CG2-CB 4.39Å; T1015-D1018 WeakPolarHBondContact CA-OD2 3.36Å; T1015-D1018 WeakPolarHBondContact CB-OD2 2.8Å; T1015-D1018 PolarHBondContact N-OD2 3.14Å; T1015-D1018 WeakPolarHBondContact O-CB 3.45Å; T1015-D1018 PolarHBondContact O-N 2.95Å; T1015-D1018 PolarHBondContact OG1-OD2 2.84Å; E1016-D1018 PolarHBondContact O-N 2.76Å; D1018-Y1022 VanDerWaalsContact O-CE2 3.25Å; D1018-Y1022 WeakPolarHBondContact O-CE2 3.44Å; D1018-Y1022 PolarHBondContact O-OH 3.36Å
1019	Y	80.7	Confident	77.4	Confident	41 Å²	41	39.6 Å²	39.6	16%	0.161	21%	0.205	C	C	.	.			trans	-75.3	133	172.9	-62.9	-50.6	0	0	0	112.9	A868 A869 V870 K929 I1014 E1016 V1039 Q1040 P1041	A868-Y1019 WeakPolarHBondContact O-CE1 3.4Å; A868-Y1019 PolarHBondContact O-OH 2.78Å; A869-Y1019 WeakPolarHBondContact CA-OH 3.16Å; V870-Y1019 HydrophobicContact CG2-CE2 3.75Å; V870-Y1019 PolarHBondContact N-OH 3.27Å; V870-Y1019 VanDerWaalsContact N-OH 3.11Å; K929-Y1019 WeakPolarHBondContact CE-O 3.44Å; K929-Y1019 PolarHBondContact NZ-O 2.67Å; I1014-Y1019 HydrophobicContact CG2-CE1 4.1Å; E1016-Y1019 PolarHBondContact O-N 2.98Å; Y1019-V1039 WeakPolarHBondContact CA-O 3.19Å; Y1019-V1039 HydrophobicContact CD1-CG1 4.21Å; Y1019-Q1040 VanDerWaalsContact CD1-C 3.49Å; Y1019-P1041 HydrophobicContact CD1-CB 4.37Å; Y1019-P1041 HydrophobicContact CD2-CB 4.2Å; Y1019-P1041 HydrophobicContact CD2-CG 4.47Å; Y1019-P1041 VanDerWaalsContact CE1-CA 3.47Å; Y1019-P1041 HydrophobicContact CE1-CB 4.02Å; Y1019-P1041 HydrophobicContact CE2-CB 3.83Å; Y1019-P1041 HydrophobicContact CG-CB 4.46Å
1020	G	82.8	Confident	76.6	Confident	26 Å²	26	45.3 Å²	45.3	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-174.3	179.2	0	0	0	0	0	112.6	V1039	G1020-V1039 PolarHBondContact N-O 2.83Å; G1020-V1039 PolarHBondContact O-N 2.85Å
1021	E	82.8	Confident	76.1	Confident	24 Å²	24	45.7 Å²	45.7	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.8	170.1	-66.7	180	116.9	0	0	110.6	K929 V930 T932 R934 M1037 Q1038	K929-E1021 WeakPolarHBondContact CG-O 3Å; V930-E1021 HydrophobicContact CG2-CB 3.71Å; V930-E1021 PolarHBondContact N-O 2.56Å; T932-E1021 VanDerWaalsContact CB-OE2 3.25Å; T932-E1021 WeakPolarHBondContact CB-OE2 2.91Å; T932-E1021 WeakPolarHBondContact CG2-OE2 2.93Å; T932-E1021 PolarHBondContact N-OE2 2.96Å; T932-E1021 VanDerWaalsContact OG1-CD 3.24Å; T932-E1021 PolarHBondContact OG1-OE1 2.77Å; T932-E1021 VanDerWaalsContact OG1-OE1 3.11Å; T932-E1021 PolarHBondContact OG1-OE2 2.95Å; R934-E1021 IonicContact CZ-OE1 2.84Å; R934-E1021 IonicContact NE-OE1 3.67Å; R934-E1021 PolarHBondContact NE-OE1 3.25Å; R934-E1021 IonicContact NH2-OE1 2.71Å; R934-E1021 PolarHBondContact NH2-OE1 2.84Å; E1021-M1037 CarbonylContact C-O 3.52Å; E1021-M1037 VanDerWaalsContact CA-O 3.23Å; E1021-M1037 WeakPolarHBondContact CA-O 3.45Å; E1021-Q1038 HydrophobicContact CG-CB 4.34Å; E1021-Q1038 HydrophobicContact CG-CG 4.26Å
1022	Y	85.8	Confident	76	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.3	168.2	-71.6	-102.8	0	0	0	109.5	Y928 K929 V947 L1009 D1018 F1036 M1037 V1039	Y928-Y1022 CarbonylContact O-C 3.46Å; Y928-Y1022 WeakPolarHBondContact O-CA 2.99Å; K929-Y1022 HydrophobicContact CB-CD1 4.26Å; K929-Y1022 HydrophobicContact CB-CE1 4.14Å; K929-Y1022 HydrophobicContact CG-CD1 4.35Å; K929-Y1022 HydrophobicContact CG-CE1 4.12Å; K929-Y1022 HydrophobicContact CG-CE2 4.28Å; V947-Y1022 HydrophobicContact CG2-CD1 3.89Å; V947-Y1022 HydrophobicContact CG2-CE1 3.77Å; L1009-Y1022 HydrophobicContact CD2-CD1 3.61Å; L1009-Y1022 HydrophobicContact CD2-CE1 3.88Å; L1009-Y1022 HydrophobicContact CD2-CG 4.17Å; D1018-Y1022 VanDerWaalsContact O-CE2 3.25Å; D1018-Y1022 WeakPolarHBondContact O-CE2 3.44Å; D1018-Y1022 PolarHBondContact O-OH 3.36Å; Y1022-F1036 WeakPolarHBondContact O-CA 3.19Å; Y1022-M1037 PolarHBondContact N-O 3.2Å; Y1022-M1037 PolarHBondContact O-N 2.64Å; Y1022-M1037 VanDerWaalsContact O-O 3.13Å; Y1022-V1039 HydrophobicContact CD2-CB 4.22Å; Y1022-V1039 HydrophobicContact CD2-CG2 3.63Å; Y1022-V1039 HydrophobicContact CE2-CB 3.94Å; Y1022-V1039 HydrophobicContact CE2-CG2 3.6Å
1023	M	85.3	Confident	76.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.7	178.9	-179.2	-173.9	71.1	0	0	109.4	Y928 V930 I941 K944 E1025 Q1034 F1035 F1036	Y928-M1023 HydrophobicContact CD2-CE 3.66Å; Y928-M1023 HydrophobicContact CE2-CE 4.37Å; Y928-M1023 HydrophobicContact CG-CE 4.14Å; Y928-M1023 PolarHBondContact N-O 2.86Å; Y928-M1023 PolarHBondContact O-N 2.84Å; V930-M1023 HydrophobicContact CG1-CB 3.77Å; V930-M1023 HydrophobicContact CG1-CE 4.16Å; V930-M1023 HydrophobicContact CG1-SD 4.38Å; V930-M1023 HydrophobicContact CG2-CB 3.95Å; I941-M1023 HydrophobicContact CD1-CE 4.02Å; I941-M1023 HydrophobicContact CD1-SD 3.51Å; I941-M1023 VanDerWaalsContact CD1-SD 3.51Å; K944-M1023 HydrophobicContact CD-CE 3.9Å; K944-M1023 HydrophobicContact CG-CE 4.49Å; M1023-E1025 HydrophobicContact CE-CB 4.35Å; M1023-E1025 WeakPolarHBondContact CE-OE1 3.09Å; M1023-Q1034 HydrophobicContact CE-CG 4.27Å; M1023-Q1034 HydrophobicContact CG-CB 3.99Å; M1023-Q1034 HydrophobicContact CG-CG 4.21Å; M1023-Q1034 HydrophobicContact SD-CB 3.77Å; M1023-Q1034 HydrophobicContact SD-CG 3.54Å; M1023-Q1034 VanDerWaalsContact SD-CG 3.54Å; M1023-F1035 WeakPolarHBondContact CA-O 3.44Å; M1023-F1036 HydrophobicContact CB-CD1 4.02Å; M1023-F1036 HydrophobicContact CB-CE1 4.04Å; M1023-F1036 HydrophobicContact CG-CD1 4.03Å; M1023-F1036 HydrophobicContact CG-CE1 3.76Å; M1023-F1036 HydrophobicContact CG-CZ 4.13Å; M1023-F1036 HydrophobicContact SD-CD1 4.38Å; M1023-F1036 HydrophobicContact SD-CE1 3.52Å; M1023-F1036 VanDerWaalsContact SD-CE1 3.52Å; M1023-F1036 HydrophobicContact SD-CZ 3.64Å
1024	C	85.2	Confident	77.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.3	166	-162	0	0	0	0	108.5	L878 W927 Q1034 F1035	L878-C1024 HydrophobicContact CD1-CB 3.49Å; L878-C1024 VanDerWaalsContact CD1-CB 3.49Å; W927-C1024 HydrophobicContact CD2-CB 4.01Å; W927-C1024 HydrophobicContact CE3-CB 3.99Å; W927-C1024 HydrophobicContact CH2-CB 4.1Å; W927-C1024 HydrophobicContact CZ2-CB 4.09Å; W927-C1024 HydrophobicContact CZ3-CB 4.04Å; C1024-Q1034 WeakPolarHBondContact O-CA 3.41Å; C1024-F1035 PolarHBondContact N-O 2.86Å; C1024-F1035 PolarHBondContact O-N 2.78Å
1025	E	86	Confident	77.9	Confident	9 Å²	9	57.6 Å²	57.6	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.5	175.9	-171.9	166.7	-69.9	0	0	108.9	Y925 T926 Y928 K944 M1023 R1032 K1033 Q1034	Y925-E1025 CarbonylContact C-O 3.46Å; Y925-E1025 VanDerWaalsContact CA-O 3.29Å; Y925-E1025 WeakPolarHBondContact CA-O 3.3Å; T926-E1025 PolarHBondContact N-O 2.88Å; T926-E1025 PolarHBondContact O-N 3.24Å; Y928-E1025 HydrophobicContact CD2-CB 4.13Å; Y928-E1025 HydrophobicContact CE2-CB 3.85Å; K944-E1025 VanDerWaalsContact NZ-CD 3.3Å; K944-E1025 IonicContact NZ-OE1 3.06Å; K944-E1025 PolarHBondContact NZ-OE1 2.82Å; K944-E1025 IonicContact NZ-OE2 2.67Å; K944-E1025 PolarHBondContact NZ-OE2 2.7Å; M1023-E1025 HydrophobicContact CE-CB 4.35Å; M1023-E1025 WeakPolarHBondContact CE-OE1 3.09Å; E1025-R1032 HydrophobicContact CG-CB 4.26Å; E1025-R1032 WeakPolarHBondContact OE2-CD 3.37Å; E1025-R1032 IonicContact OE2-CZ 3.83Å; E1025-R1032 IonicContact OE2-NE 3.32Å; E1025-R1032 IonicContact OE2-NH1 2.64Å; E1025-R1032 PolarHBondContact OE2-NH1 2.88Å; E1025-K1033 CarbonylContact C-O 3.51Å; E1025-K1033 WeakPolarHBondContact CA-O 3.38Å; E1025-Q1034 HydrophobicContact CB-CG 4.39Å; E1025-Q1034 HydrophobicContact CG-CG 4.08Å; E1025-Q1034 PolarHBondContact OE1-NE2 2.71Å
1026	L	82.9	Confident	78.3	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.8	176.7	-56.6	-167.3	0	0	0	110.8	P856 I880 Y1007 R1032 K1033 F1035	P856-L1026 HydrophobicContact CB-CD1 4.48Å; I880-L1026 HydrophobicContact CD1-CD1 3.65Å; I880-L1026 HydrophobicContact CG2-CD1 4.35Å; Y1007-L1026 HydrophobicContact CD1-CD2 4Å; Y1007-L1026 HydrophobicContact CD2-CD1 4.26Å; Y1007-L1026 HydrophobicContact CD2-CD2 4.15Å; Y1007-L1026 HydrophobicContact CE1-CD2 3.63Å; Y1007-L1026 HydrophobicContact CE2-CD1 3.48Å; Y1007-L1026 VanDerWaalsContact CE2-CD1 3.48Å; Y1007-L1026 HydrophobicContact CE2-CD2 3.78Å; Y1007-L1026 HydrophobicContact CE2-CG 4.3Å; Y1007-L1026 HydrophobicContact CG-CD2 4.24Å; L1026-R1032 CarbonylContact O-C 3.53Å; L1026-R1032 VanDerWaalsContact O-CA 3.23Å; L1026-R1032 WeakPolarHBondContact O-CA 3.37Å; L1026-K1033 PolarHBondContact N-O 3.46Å; L1026-K1033 PolarHBondContact O-N 2.78Å; L1026-F1035 HydrophobicContact CB-CE2 4.47Å; L1026-F1035 HydrophobicContact CD1-CD2 4.23Å; L1026-F1035 HydrophobicContact CD1-CE2 3.69Å; L1026-F1035 HydrophobicContact CG-CD2 4.08Å; L1026-F1035 HydrophobicContact CG-CE2 3.88Å
1027	E	76.6	Confident	78.6	Confident	99 Å²	99	50.9 Å²	50.9	46%	0.463	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.1	173.2	-164.6	152.9	-104.2	0	0	110.1	T924 R1032	T924-E1027 PolarHBondContact O-N 2.79Å; E1027-R1032 HydrophobicContact CG-CG 4.45Å; E1027-R1032 IonicContact OE1-CZ 2.73Å; E1027-R1032 IonicContact OE1-NE 3.51Å; E1027-R1032 PolarHBondContact OE1-NE 2.98Å; E1027-R1032 IonicContact OE1-NH2 2.69Å; E1027-R1032 PolarHBondContact OE1-NH2 2.99Å
1028	Y	73.9	Confident	78.8	Confident	22 Å²	22	46 Å²	46	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	166.6	-178	-168.7	-112.3	0	0	0	111.4	F854 P856 Y883 P884 P886 E1030 G1031	F854-Y1028 PolarHBondContact O-OH 3.03Å; P856-Y1028 VanDerWaalsContact CD-CG 3.4Å; P856-Y1028 HydrophobicContact CG-CD1 4.11Å; P856-Y1028 HydrophobicContact CG-CD2 3.6Å; P856-Y1028 HydrophobicContact CG-CE2 4.07Å; P856-Y1028 HydrophobicContact CG-CG 3.61Å; Y883-Y1028 PolarHBondContact O-OH 3.32Å; Y883-Y1028 VanDerWaalsContact O-OH 3.04Å; P884-Y1028 WeakPolarHBondContact CD-OH 3.2Å; P884-Y1028 WeakPolarHBondContact O-CE2 3.42Å; P884-Y1028 PolarHBondContact O-OH 2.7Å; P886-Y1028 HydrophobicContact CG-CD2 4.23Å; P886-Y1028 HydrophobicContact CG-CE2 4.45Å; Y1028-E1030 HydrophobicContact CD1-CB 4.01Å; Y1028-E1030 HydrophobicContact CD1-CG 4.12Å; Y1028-E1030 HydrophobicContact CE1-CB 4.43Å; Y1028-E1030 HydrophobicContact CE1-CG 4.04Å; Y1028-E1030 PolarHBondContact O-N 2.85Å; Y1028-G1031 CarbonylContact C-O 3.46Å; Y1028-G1031 WeakPolarHBondContact CA-O 3.05Å; Y1028-G1031 WeakPolarHBondContact CB-O 3.24Å; Y1028-G1031 PolarHBondContact N-O 3.06Å; Y1028-G1031 PolarHBondContact O-N 3.03Å; Y1028-G1031 VanDerWaalsContact O-O 3.11Å
1029	V	67.8	Low	78.6	Confident	121 Å²	121	45.4 Å²	45.4	73%	0.733	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23	-178	-68.3	0	0	0	0	114
1030	E	65.2	Low	78.4	Confident	121 Å²	121	46.6 Å²	46.6	57%	0.565	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	5.2	174.6	-60.9	172.2	-176.4	0	0	113.1	A855 Y1028	A855-E1030 WeakPolarHBondContact CB-OE2 3.16Å; Y1028-E1030 HydrophobicContact CD1-CB 4.01Å; Y1028-E1030 HydrophobicContact CD1-CG 4.12Å; Y1028-E1030 HydrophobicContact CE1-CB 4.43Å; Y1028-E1030 HydrophobicContact CE1-CG 4.04Å; Y1028-E1030 PolarHBondContact O-N 2.85Å
1031	G	65.9	Low	77.6	Confident	38 Å²	38	48.4 Å²	48.4	39%	0.392	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-166	-176.2	0	0	0	0	0	113.2	Y1028	Y1028-G1031 CarbonylContact C-O 3.46Å; Y1028-G1031 WeakPolarHBondContact CA-O 3.05Å; Y1028-G1031 WeakPolarHBondContact CB-O 3.24Å; Y1028-G1031 PolarHBondContact N-O 3.06Å; Y1028-G1031 PolarHBondContact O-N 3.03Å; Y1028-G1031 VanDerWaalsContact O-O 3.11Å
1032	R	74.8	Confident	76.6	Confident	145 Å²	145	48 Å²	48	55%	0.547	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.8	-177.4	-66.5	-173.4	178.1	-171.5	1.8	112.2	E1025 L1026 E1027	E1025-R1032 HydrophobicContact CG-CB 4.26Å; E1025-R1032 WeakPolarHBondContact OE2-CD 3.37Å; E1025-R1032 IonicContact OE2-CZ 3.83Å; E1025-R1032 IonicContact OE2-NE 3.32Å; E1025-R1032 IonicContact OE2-NH1 2.64Å; E1025-R1032 PolarHBondContact OE2-NH1 2.88Å; L1026-R1032 CarbonylContact O-C 3.53Å; L1026-R1032 VanDerWaalsContact O-CA 3.23Å; L1026-R1032 WeakPolarHBondContact O-CA 3.37Å; E1027-R1032 HydrophobicContact CG-CG 4.45Å; E1027-R1032 IonicContact OE1-CZ 2.73Å; E1027-R1032 IonicContact OE1-NE 3.51Å; E1027-R1032 PolarHBondContact OE1-NE 2.98Å; E1027-R1032 IonicContact OE1-NH2 2.69Å; E1027-R1032 PolarHBondContact OE1-NH2 2.99Å
1033	K	80.1	Confident	75	Confident	80 Å²	80	49.3 Å²	49.3	35%	0.348	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.7	172.1	-72.8	-81.7	-173.3	159.2	0	109.4	P856 E1025 L1026 F1035	P856-K1033 HydrophobicContact CB-CB 4.44Å; P856-K1033 HydrophobicContact CB-CG 4.16Å; P856-K1033 HydrophobicContact CG-CG 4.28Å; E1025-K1033 CarbonylContact C-O 3.51Å; E1025-K1033 WeakPolarHBondContact CA-O 3.38Å; L1026-K1033 PolarHBondContact N-O 3.46Å; L1026-K1033 PolarHBondContact O-N 2.78Å; K1033-F1035 HydrophobicContact CB-CE2 3.64Å; K1033-F1035 HydrophobicContact CB-CZ 4.03Å
1034	Q	83	Confident	73.2	Confident	80 Å²	80	56.5 Å²	56.5	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.5	-177.6	-71.9	173.6	-18.8	0	0	109.6	M1023 C1024 E1025 F1036	M1023-Q1034 HydrophobicContact CE-CG 4.27Å; M1023-Q1034 HydrophobicContact CG-CB 3.99Å; M1023-Q1034 HydrophobicContact CG-CG 4.21Å; M1023-Q1034 HydrophobicContact SD-CB 3.77Å; M1023-Q1034 HydrophobicContact SD-CG 3.54Å; M1023-Q1034 VanDerWaalsContact SD-CG 3.54Å; C1024-Q1034 WeakPolarHBondContact O-CA 3.41Å; E1025-Q1034 HydrophobicContact CB-CG 4.39Å; E1025-Q1034 HydrophobicContact CG-CG 4.08Å; E1025-Q1034 PolarHBondContact OE1-NE2 2.71Å; Q1034-F1036 HydrophobicContact CB-CE2 3.91Å; Q1034-F1036 HydrophobicContact CB-CZ 4.09Å
1035	F	82.6	Confident	71.4	Confident	23 Å²	23	58.3 Å²	58.3	10%	0.101	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.7	-179.3	-60.5	-87.4	0	0	0	108.9	P856 L858 L878 I880 M1023 C1024 L1026 K1033	P856-F1035 HydrophobicContact CB-CE2 4.4Å; P856-F1035 HydrophobicContact CB-CZ 3.99Å; L858-F1035 HydrophobicContact CB-CD1 4.22Å; L858-F1035 HydrophobicContact CB-CE1 4.2Å; L858-F1035 HydrophobicContact CD1-CD1 3.9Å; L858-F1035 HydrophobicContact CD1-CE1 4.47Å; L878-F1035 HydrophobicContact CD1-CB 4.1Å; I880-F1035 HydrophobicContact CD1-CD1 4.07Å; I880-F1035 HydrophobicContact CD1-CD2 3.71Å; I880-F1035 HydrophobicContact CD1-CE1 3.98Å; I880-F1035 HydrophobicContact CD1-CE2 3.63Å; I880-F1035 HydrophobicContact CD1-CG 3.93Å; I880-F1035 HydrophobicContact CD1-CZ 3.76Å; I880-F1035 HydrophobicContact CG1-CE1 4.29Å; I880-F1035 HydrophobicContact CG1-CZ 4.34Å; I880-F1035 HydrophobicContact CG2-CZ 4.45Å; M1023-F1035 WeakPolarHBondContact CA-O 3.44Å; C1024-F1035 PolarHBondContact N-O 2.86Å; C1024-F1035 PolarHBondContact O-N 2.78Å; L1026-F1035 HydrophobicContact CB-CE2 4.47Å; L1026-F1035 HydrophobicContact CD1-CD2 4.23Å; L1026-F1035 HydrophobicContact CD1-CE2 3.69Å; L1026-F1035 HydrophobicContact CG-CD2 4.08Å; L1026-F1035 HydrophobicContact CG-CE2 3.88Å; K1033-F1035 HydrophobicContact CB-CE2 3.64Å; K1033-F1035 HydrophobicContact CB-CZ 4.03Å
1036	F	79.1	Confident	69.7	Low	37 Å²	37	60.1 Å²	60.1	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.8	-172.4	-63.7	-87.5	0	0	0	111.9	T864 V930 T932 V939 I941 Y1022 M1023 Q1034	T864-F1036 WeakPolarHBondContact CB-O 2.91Å; T864-F1036 WeakPolarHBondContact CG2-O 3.3Å; T864-F1036 PolarHBondContact OG1-O 3.07Å; V930-F1036 HydrophobicContact CG2-CD1 4.21Å; V930-F1036 HydrophobicContact CG2-CE1 4.35Å; T932-F1036 HydrophobicContact CG2-CD1 4.09Å; T932-F1036 HydrophobicContact CG2-CE1 3.89Å; V939-F1036 HydrophobicContact CB-CE2 4.14Å; V939-F1036 HydrophobicContact CB-CZ 4.26Å; V939-F1036 HydrophobicContact CG1-CD1 4.21Å; V939-F1036 HydrophobicContact CG1-CD2 4.37Å; V939-F1036 HydrophobicContact CG1-CE1 3.9Å; V939-F1036 HydrophobicContact CG1-CE2 4.08Å; V939-F1036 HydrophobicContact CG1-CG 4.43Å; V939-F1036 HydrophobicContact CG1-CZ 3.83Å; I941-F1036 HydrophobicContact CD1-CE1 4.25Å; I941-F1036 HydrophobicContact CD1-CZ 4.19Å; I941-F1036 HydrophobicContact CG1-CE1 4.14Å; I941-F1036 HydrophobicContact CG1-CZ 4.24Å; Y1022-F1036 WeakPolarHBondContact O-CA 3.19Å; M1023-F1036 HydrophobicContact CB-CD1 4.02Å; M1023-F1036 HydrophobicContact CB-CE1 4.04Å; M1023-F1036 HydrophobicContact CG-CD1 4.03Å; M1023-F1036 HydrophobicContact CG-CE1 3.76Å; M1023-F1036 HydrophobicContact CG-CZ 4.13Å; M1023-F1036 HydrophobicContact SD-CD1 4.38Å; M1023-F1036 HydrophobicContact SD-CE1 3.52Å; M1023-F1036 VanDerWaalsContact SD-CE1 3.52Å; M1023-F1036 HydrophobicContact SD-CZ 3.64Å; Q1034-F1036 HydrophobicContact CB-CE2 3.91Å; Q1034-F1036 HydrophobicContact CB-CZ 4.09Å
1037	M	76.8	Confident	68.1	Low	8 Å²	8	61 Å²	61	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.1	-177.9	126.8	78.3	53	0	0	109.4	T864 V866 I876 E1021 Y1022 V1039	T864-M1037 CarbonylContact O-C 3.59Å; T864-M1037 WeakPolarHBondContact O-CA 3.15Å; V866-M1037 HydrophobicContact CB-CE 4.36Å; V866-M1037 HydrophobicContact CB-SD 4.37Å; V866-M1037 HydrophobicContact CG2-CE 3.68Å; V866-M1037 HydrophobicContact CG2-SD 4.31Å; I876-M1037 HydrophobicContact CB-CE 4.49Å; I876-M1037 HydrophobicContact CD1-SD 4.13Å; I876-M1037 HydrophobicContact CG1-CE 4.3Å; I876-M1037 HydrophobicContact CG1-SD 4.22Å; I876-M1037 HydrophobicContact CG2-CE 3.52Å; I876-M1037 HydrophobicContact CG2-CG 4.08Å; I876-M1037 HydrophobicContact CG2-SD 4.06Å; E1021-M1037 CarbonylContact C-O 3.52Å; E1021-M1037 VanDerWaalsContact CA-O 3.23Å; E1021-M1037 WeakPolarHBondContact CA-O 3.45Å; Y1022-M1037 PolarHBondContact N-O 3.2Å; Y1022-M1037 PolarHBondContact O-N 2.64Å; Y1022-M1037 VanDerWaalsContact O-O 3.13Å; M1037-V1039 HydrophobicContact SD-CG2 3.92Å
1038	Q	79.2	Confident	67	Low	71 Å²	71	60.7 Å²	60.7	33%	0.332	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.7	179.6	-173.7	173.7	-9.4	0	0	112	T864 S865 V866 E1021	T864-Q1038 PolarHBondContact O-N 2.88Å; S865-Q1038 CarbonylContact C-O 3.17Å; S865-Q1038 VanDerWaalsContact CA-O 3.3Å; S865-Q1038 WeakPolarHBondContact CA-O 3.3Å; V866-Q1038 PolarHBondContact N-O 2.98Å; E1021-Q1038 HydrophobicContact CG-CB 4.34Å; E1021-Q1038 HydrophobicContact CG-CG 4.26Å
1039	V	74.7	Confident	65.7	Low	1 Å²	1	62.4 Å²	62.4	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.5	170.7	-175.1	0	0	0	0	107.8	V866 I876 L1011 I1014 Y1019 G1020 Y1022 M1037	V866-V1039 WeakPolarHBondContact O-CA 3.23Å; I876-V1039 HydrophobicContact CD1-CG2 3.48Å; I876-V1039 VanDerWaalsContact CD1-CG2 3.48Å; I876-V1039 HydrophobicContact CG1-CG2 4.48Å; L1011-V1039 HydrophobicContact CD1-CG1 4.47Å; L1011-V1039 HydrophobicContact CD1-CG2 4.24Å; I1014-V1039 HydrophobicContact CD1-CG1 4.3Å; Y1019-V1039 WeakPolarHBondContact CA-O 3.19Å; Y1019-V1039 HydrophobicContact CD1-CG1 4.21Å; G1020-V1039 PolarHBondContact N-O 2.83Å; G1020-V1039 PolarHBondContact O-N 2.85Å; Y1022-V1039 HydrophobicContact CD2-CB 4.22Å; Y1022-V1039 HydrophobicContact CD2-CG2 3.63Å; Y1022-V1039 HydrophobicContact CE2-CB 3.94Å; Y1022-V1039 HydrophobicContact CE2-CG2 3.6Å; M1037-V1039 HydrophobicContact SD-CG2 3.92Å
1040	Q	75.5	Confident	64.8	Low	66 Å²	66	66.4 Å²	66.4	31%	0.308	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.3	-175	65.3	-171.3	16.3	0	0	111.3	V866 T867 A868 Y1019	V866-Q1040 PolarHBondContact O-N 2.72Å; T867-Q1040 WeakPolarHBondContact CA-O 3.12Å; T867-Q1040 HydrophobicContact CG2-CG 3.81Å; A868-Q1040 PolarHBondContact N-O 3.3Å; Y1019-Q1040 VanDerWaalsContact CD1-C 3.49Å
1041	P	67.2	Low	64.2	Low	63 Å²	63	63.3 Å²	63.3	41%	0.409	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.7	157.8	170.1	28	-34.7	0	0	0	110.2	Y1019	Y1019-P1041 HydrophobicContact CD1-CB 4.37Å; Y1019-P1041 HydrophobicContact CD2-CB 4.2Å; Y1019-P1041 HydrophobicContact CD2-CG 4.47Å; Y1019-P1041 VanDerWaalsContact CE1-CA 3.47Å; Y1019-P1041 HydrophobicContact CE1-CB 4.02Å; Y1019-P1041 HydrophobicContact CE2-CB 3.83Å; Y1019-P1041 HydrophobicContact CG-CB 4.46Å
1042	P	60.8	Low	63.8	Low	16 Å²	16	62 Å²	62	10%	0.104	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-54.5	151.1	160.8	28	-35.7	0	0	0	109.5	A868 L1264 A1267	A868-P1042 VanDerWaalsContact O-CD 3.26Å; A868-P1042 WeakPolarHBondContact O-CD 3.36Å; P1042-L1264 HydrophobicContact CB-CD2 4.1Å; P1042-L1264 HydrophobicContact CB-CG 4.35Å; P1042-L1264 HydrophobicContact CG-CD2 4.22Å; P1042-A1267 HydrophobicContact CB-CB 4.22Å; P1042-A1267 HydrophobicContact CG-CB 3.77Å
1043	G	53.2	Low	63.1	Low	32 Å²	32	64.1 Å²	64.1	33%	0.33	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-61.3	147.7	-175.9	0	0	0	0	0	112	V1265	G1043-V1265 PolarHBondContact N-O 3.02Å
1044	N	47.1	Very low	62.3	Low	151 Å²	151	61.4 Å²	61.4	81%	0.807	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-49.8	131.2	169.3	-79.9	10.4	0	0	0	108.9	Y1266	N1044-Y1266 WeakPolarHBondContact O-CD1 3.42Å
1045	P	47.4	Very low	61.1	Low	38 Å²	38	60.2 Å²	60.2	25%	0.247	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67	143.9	-176.4	30	-34.7	0	0	0	109.2	I1047 A1267 T1268	P1045-I1047 HydrophobicContact CB-CB 4.15Å; P1045-I1047 HydrophobicContact CB-CD1 4.1Å; P1045-I1047 HydrophobicContact CB-CG1 4.05Å; P1045-I1047 PolarHBondContact O-N 2.66Å; P1045-A1267 WeakPolarHBondContact CD-O 2.95Å; P1045-T1268 HydrophobicContact CB-CG2 3.87Å; P1045-T1268 HydrophobicContact CG-CG2 3.79Å
1046	P	51.1	Low	60.2	Low	47 Å²	47	61.3 Å²	61.3	31%	0.305	31%	0.31	S	S	.	.	S	Bend	trans	-69.7	16.7	174.4	30.9	-36.5	0	0	0	113.3	F1070	P1046-F1070 HydrophobicContact CG-CD1 4.22Å; P1046-F1070 HydrophobicContact CG-CG 4.42Å
1047	I	48.9	Very low	59	Low	22 Å²	22	61.7 Å²	61.7	11%	0.113	31%	0.313	C	S	.	.			trans	-111.5	108.1	-161.5	-53	174.4	0	0	0	108.6	P1045 M1052 F1070 F1257 T1268	P1045-I1047 HydrophobicContact CB-CB 4.15Å; P1045-I1047 HydrophobicContact CB-CD1 4.1Å; P1045-I1047 HydrophobicContact CB-CG1 4.05Å; P1045-I1047 PolarHBondContact O-N 2.66Å; I1047-M1052 HydrophobicContact CD1-CE 4.17Å; I1047-M1052 HydrophobicContact CG2-CE 3.56Å; I1047-M1052 HydrophobicContact CG2-CG 3.6Å; I1047-M1052 HydrophobicContact CG2-SD 3.42Å; I1047-M1052 WeakPolarHBondContact CG2-SD 2.99Å; I1047-F1070 HydrophobicContact CD1-CE1 3.55Å; I1047-F1070 HydrophobicContact CD1-CE2 4.4Å; I1047-F1070 HydrophobicContact CD1-CZ 3.44Å; I1047-F1070 VanDerWaalsContact CD1-CZ 3.44Å; I1047-F1070 HydrophobicContact CG1-CD1 4.46Å; I1047-F1070 HydrophobicContact CG1-CE1 3.75Å; I1047-F1070 HydrophobicContact CG1-CE2 4Å; I1047-F1070 HydrophobicContact CG1-CZ 3.49Å; I1047-F1070 VanDerWaalsContact CG1-CZ 3.49Å; I1047-F1257 HydrophobicContact CD1-CE2 3.64Å; I1047-F1257 HydrophobicContact CD1-CZ 3.6Å; I1047-T1268 HydrophobicContact CD1-CG2 4.3Å
1048	N	51.9	Low	58	Low	93 Å²	93	62.9 Å²	62.9	50%	0.497	32%	0.32	S	S	.	.			trans	-85.3	124.1	163.9	-170.8	-30.9	0	0	0	108.8	R1050 N1051	N1048-R1050 PolarHBondContact O-N 2.95Å; N1048-R1050 VanDerWaalsContact O-N 3.12Å; N1048-R1050 PolarHBondContact OD1-N 2.83Å; N1048-N1051 WeakPolarHBondContact O-CB 3.37Å; N1048-N1051 PolarHBondContact O-N 2.92Å
1049	V	48.3	Very low	56.7	Low	58 Å²	58	60.2 Å²	60.2	35%	0.352	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-51.5	-34.4	178.3	175.5	0	0	0	0	112.5	N1051 M1052 F1054 V1271	V1049-N1051 PolarHBondContact O-N 2.76Å; V1049-N1051 VanDerWaalsContact O-N 3.08Å; V1049-M1052 CarbonylContact O-C 3.49Å; V1049-M1052 WeakPolarHBondContact O-CA 3.08Å; V1049-M1052 WeakPolarHBondContact O-CB 3.44Å; V1049-M1052 PolarHBondContact O-N 2.78Å; V1049-F1054 HydrophobicContact CG1-CE2 4.28Å; V1049-V1271 HydrophobicContact CB-CG1 4.14Å; V1049-V1271 HydrophobicContact CG1-CG1 3.42Å; V1049-V1271 VanDerWaalsContact CG1-CG1 3.42Å; V1049-V1271 HydrophobicContact CG2-CB 4.26Å; V1049-V1271 HydrophobicContact CG2-CG1 3.54Å; V1049-V1271 HydrophobicContact CG2-CG2 3.65Å
1050	R	47.8	Very low	56.1	Low	204 Å²	204	64 Å²	64	77%	0.77	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.8	-17.2	177.7	-66.9	-174.6	173.5	-172.6	-4.7	114.2	N1048	N1048-R1050 PolarHBondContact O-N 2.95Å; N1048-R1050 VanDerWaalsContact O-N 3.12Å; N1048-R1050 PolarHBondContact OD1-N 2.83Å
1051	N	53.3	Low	55.7	Low	57 Å²	57	60.8 Å²	60.8	31%	0.305	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-100.3	-3.8	175.2	-55.5	-0.7	0	0	0	112	N1048 V1049 F1065 Y1069	N1048-N1051 WeakPolarHBondContact O-CB 3.37Å; N1048-N1051 PolarHBondContact O-N 2.92Å; V1049-N1051 PolarHBondContact O-N 2.76Å; V1049-N1051 VanDerWaalsContact O-N 3.08Å; N1051-F1065 WeakPolarHBondContact O-CA 3.42Å; N1051-Y1069 WeakPolarHBondContact ND2-CD1 3.37Å; N1051-Y1069 WeakPolarHBondContact ND2-CE1 3.45Å
1052	M	57	Low	55.7	Low	10 Å²	10	59.6 Å²	59.6	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	104.7	168.8	-65.7	-156	134.3	0	0	109.4	I1047 V1049 F1054 V1063 Y1064 F1065 F1070 F1255	I1047-M1052 HydrophobicContact CD1-CE 4.17Å; I1047-M1052 HydrophobicContact CG2-CE 3.56Å; I1047-M1052 HydrophobicContact CG2-CG 3.6Å; I1047-M1052 HydrophobicContact CG2-SD 3.42Å; I1047-M1052 WeakPolarHBondContact CG2-SD 2.99Å; V1049-M1052 CarbonylContact O-C 3.49Å; V1049-M1052 WeakPolarHBondContact O-CA 3.08Å; V1049-M1052 WeakPolarHBondContact O-CB 3.44Å; V1049-M1052 PolarHBondContact O-N 2.78Å; M1052-F1054 HydrophobicContact CB-CD2 4.23Å; M1052-F1054 HydrophobicContact CB-CE2 3.46Å; M1052-F1054 VanDerWaalsContact CB-CE2 3.46Å; M1052-F1054 HydrophobicContact CB-CZ 3.77Å; M1052-F1054 VanDerWaalsContact O-CD2 3.22Å; M1052-F1054 WeakPolarHBondContact O-CD2 3.4Å; M1052-F1054 WeakPolarHBondContact O-CE2 3.27Å; M1052-F1054 PolarHBondContact O-N 2.73Å; M1052-F1054 HydrophobicContact SD-CE2 4.5Å; M1052-F1054 HydrophobicContact SD-CZ 3.92Å; M1052-V1063 HydrophobicContact CE-CG1 4.44Å; M1052-V1063 HydrophobicContact SD-CG1 4.37Å; M1052-Y1064 CarbonylContact C-O 3.44Å; M1052-Y1064 VanDerWaalsContact CA-O 3.25Å; M1052-Y1064 WeakPolarHBondContact CA-O 3.44Å; M1052-F1065 HydrophobicContact CE-CB 3.9Å; M1052-F1065 HydrophobicContact CE-CD1 3.62Å; M1052-F1065 HydrophobicContact CE-CE1 4.21Å; M1052-F1065 HydrophobicContact CE-CG 3.77Å; M1052-F1065 HydrophobicContact CG-CB 3.97Å; M1052-F1070 HydrophobicContact CE-CZ 4.18Å; M1052-F1255 HydrophobicContact CE-CD1 4.19Å; M1052-F1255 HydrophobicContact CE-CE1 3.67Å; M1052-F1255 HydrophobicContact CE-CE2 4.48Å; M1052-F1255 HydrophobicContact CE-CZ 3.84Å; M1052-F1255 HydrophobicContact SD-CE1 3.97Å; M1052-F1255 HydrophobicContact SD-CE2 3.8Å; M1052-F1255 HydrophobicContact SD-CZ 3.47Å; M1052-F1255 WeakPolarHBondContact SD-CZ 3.22Å
1053	R	59.8	Low	56.2	Low	189 Å²	189	58.8 Å²	58.8	71%	0.713	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.2	174.8	-159	178	-153.7	165.4	8.8	109.7	Y1064	R1053-Y1064 HydrophobicContact CB-CD2 4.37Å; R1053-Y1064 PolarHBondContact N-O 2.98Å; R1053-Y1064 WeakPolarHBondContact O-CD2 3.5Å; R1053-Y1064 PolarHBondContact O-N 2.97Å
1054	F	63.1	Low	56.7	Low	23 Å²	23	59.9 Å²	59.9	10%	0.101	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137	171.8	-58.8	-87.2	0	0	0	109.9	V1049 M1052 R1062 V1063 Y1253 F1255 V1271 E1273	V1049-F1054 HydrophobicContact CG1-CE2 4.28Å; M1052-F1054 HydrophobicContact CB-CD2 4.23Å; M1052-F1054 HydrophobicContact CB-CE2 3.46Å; M1052-F1054 VanDerWaalsContact CB-CE2 3.46Å; M1052-F1054 HydrophobicContact CB-CZ 3.77Å; M1052-F1054 VanDerWaalsContact O-CD2 3.22Å; M1052-F1054 WeakPolarHBondContact O-CD2 3.4Å; M1052-F1054 WeakPolarHBondContact O-CE2 3.27Å; M1052-F1054 PolarHBondContact O-N 2.73Å; M1052-F1054 HydrophobicContact SD-CE2 4.5Å; M1052-F1054 HydrophobicContact SD-CZ 3.92Å; F1054-R1062 WeakPolarHBondContact CA-O 3.45Å; F1054-V1063 HydrophobicContact CD1-CB 4.36Å; F1054-V1063 HydrophobicContact CD1-CG1 3.99Å; F1054-V1063 HydrophobicContact CD1-CG2 3.79Å; F1054-V1063 HydrophobicContact CE1-CB 4.33Å; F1054-V1063 HydrophobicContact CE1-CG1 3.62Å; F1054-V1063 HydrophobicContact CE1-CG2 3.83Å; F1054-V1063 HydrophobicContact CZ-CG1 4.16Å; F1054-Y1253 HydrophobicContact CB-CE2 4.27Å; F1054-Y1253 AromaticContact CD1-CD1 3.63Å; F1054-Y1253 HydrophobicContact CD1-CD1 3.63Å; F1054-Y1253 AromaticContact CD1-CD2 3.77Å; F1054-Y1253 HydrophobicContact CD1-CD2 3.77Å; F1054-Y1253 AromaticContact CD1-CE1 3.35Å; F1054-Y1253 HydrophobicContact CD1-CE1 3.35Å; F1054-Y1253 AromaticContact CD1-CE2 3.52Å; F1054-Y1253 HydrophobicContact CD1-CE2 3.52Å; F1054-Y1253 AromaticContact CD1-CG 3.85Å; F1054-Y1253 HydrophobicContact CD1-CG 3.85Å; F1054-Y1253 AromaticContact CD1-CZ 3.29Å; F1054-Y1253 AromaticContact CE1-CD1 3.4Å; F1054-Y1253 HydrophobicContact CE1-CD1 3.4Å; F1054-Y1253 VanDerWaalsContact CE1-CD1 3.4Å; F1054-Y1253 AromaticContact CE1-CD2 3.72Å; F1054-Y1253 HydrophobicContact CE1-CD2 3.72Å; F1054-Y1253 AromaticContact CE1-CE1 3.67Å; F1054-Y1253 HydrophobicContact CE1-CE1 3.67Å; F1054-Y1253 AromaticContact CE1-CE2 3.99Å; F1054-Y1253 HydrophobicContact CE1-CE2 3.99Å; F1054-Y1253 AromaticContact CE1-CG 3.44Å; F1054-Y1253 HydrophobicContact CE1-CG 3.44Å; F1054-Y1253 VanDerWaalsContact CE1-CG 3.44Å; F1054-Y1253 AromaticContact CE1-CZ 3.96Å; F1054-Y1253 HydrophobicContact CG-CD2 4.37Å; F1054-Y1253 HydrophobicContact CG-CE1 4.44Å; F1054-Y1253 AromaticContact CG-CE2 3.95Å; F1054-Y1253 HydrophobicContact CG-CE2 3.95Å; F1054-Y1253 AromaticContact CG-CZ 3.98Å; F1054-Y1253 HydrophobicContact CZ-CD1 4.5Å; F1054-Y1253 HydrophobicContact CZ-CD2 4.32Å; F1054-Y1253 HydrophobicContact CZ-CG 4.18Å; F1054-F1255 HydrophobicContact CE1-CE2 4.2Å; F1054-F1255 AromaticContact CE1-CZ 3.75Å; F1054-F1255 HydrophobicContact CE1-CZ 3.75Å; F1054-F1255 AromaticContact CZ-CE2 3.97Å; F1054-F1255 HydrophobicContact CZ-CE2 3.97Å; F1054-F1255 AromaticContact CZ-CZ 3.8Å; F1054-F1255 HydrophobicContact CZ-CZ 3.8Å; F1054-V1271 HydrophobicContact CE2-CG1 4.14Å; F1054-V1271 HydrophobicContact CZ-CG1 4.3Å; F1054-E1273 HydrophobicContact CB-CG 3.74Å; F1054-E1273 WeakPolarHBondContact CB-OE1 3.46Å; F1054-E1273 HydrophobicContact CG-CG 4.3Å
1055	T	59.5	Low	57.7	Low	56 Å²	56	53.2 Å²	53.2	34%	0.344	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	122	168.9	53.8	0	0	0	0	109.5	R1062	T1055-R1062 PolarHBondContact N-O 3.09Å; T1055-R1062 WeakPolarHBondContact O-CB 3.2Å; T1055-R1062 PolarHBondContact O-N 2.89Å
1056	H	62.4	Low	58.4	Low	45 Å²	45	54.7 Å²	54.7	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.4	174.3	66.7	103.5	0	0	0	112.4	I1061 W1245 K1248 L1251 E1273	H1056-I1061 HydrophobicContact CB-CB 4.43Å; H1056-I1061 HydrophobicContact CB-CG1 4Å; H1056-I1061 HydrophobicContact CB-CG2 4.37Å; H1056-W1245 PolarHBondContact CE1-O 2.84Å; H1056-W1245 PolarHBondContact ND1-O 2.82Å; H1056-K1248 PolarHBondContact CE1-O 2.8Å; H1056-K1248 VanDerWaalsContact CE1-O 3.29Å; H1056-L1251 HydrophobicContact CB-CD1 3.58Å; H1056-L1251 VanDerWaalsContact CG-CD1 3.48Å; H1056-E1273 IonicContact CD2-OE1 2.77Å; H1056-E1273 IonicContact CD2-OE2 3.82Å; H1056-E1273 PolarHBondContact CD2-OE2 2.85Å; H1056-E1273 IonicContact NE2-OE2 3.34Å
1057	D	54.3	Low	58.5	Low	45 Å²	45	53.8 Å²	53.8	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	170.8	162.1	70	60	0	0	0	108.8	S1059 R1060 R1062	D1057-S1059 PolarHBondContact O-N 2.92Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.05Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.47Å; D1057-S1059 PolarHBondContact OD1-N 2.96Å; D1057-S1059 PolarHBondContact OD1-OG 3.27Å; D1057-R1060 PolarHBondContact N-O 2.88Å; D1057-R1060 PolarHBondContact O-N 3.5Å; D1057-R1060 PolarHBondContact OD1-N 2.88Å; D1057-R1060 IonicContact OD1-NE 2.85Å; D1057-R1060 WeakPolarHBondContact OD2-CG 3.3Å; D1057-R1060 IonicContact OD2-NE 3.71Å; D1057-R1060 PolarHBondContact OD2-NE 3.35Å; D1057-R1062 IonicContact OD2-CZ 3.65Å; D1057-R1062 IonicContact OD2-NH1 3.99Å; D1057-R1062 PolarHBondContact OD2-NH1 2.91Å; D1057-R1062 IonicContact OD2-NH2 2.69Å; D1057-R1062 PolarHBondContact OD2-NH2 2.89Å
1058	D	54.8	Low	58.5	Low	34 Å²	34	58.6 Å²	58.6	18%	0.182	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-16.5	-179.3	-78.9	-44.6	0	0	0	115.8	H1244 W1245 S1246	D1058-H1244 VanDerWaalsContact OD1-C 3.3Å; D1058-H1244 VanDerWaalsContact OD1-CA 3.25Å; D1058-H1244 WeakPolarHBondContact OD1-CA 3.03Å; D1058-H1244 WeakPolarHBondContact OD1-CB 3.22Å; D1058-H1244 IonicContact OD1-CE1 3.85Å; D1058-H1244 IonicContact OD1-CG 3.96Å; D1058-H1244 IonicContact OD1-ND1 3.9Å; D1058-H1244 PolarHBondContact OD1-ND1 3.01Å; D1058-H1244 IonicContact OD2-CE1 2.78Å; D1058-H1244 PolarHBondContact OD2-CE1 2.82Å; D1058-H1244 IonicContact OD2-ND1 3.91Å; D1058-H1244 PolarHBondContact OD2-ND1 2.77Å; D1058-W1245 PolarHBondContact OD1-N 2.82Å; D1058-S1246 WeakPolarHBondContact OD1-CB 3.46Å; D1058-S1246 PolarHBondContact OD1-N 2.83Å; D1058-S1246 PolarHBondContact OD1-OG 2.65Å; D1058-S1246 PolarHBondContact OD2-OG 2.78Å
1059	S	53.4	Low	58.6	Low	14 Å²	14	58.8 Å²	58.8	10%	0.098	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-16.9	-173.8	69.7	0	0	0	0	114.5	D1057 P1198 L1199	D1057-S1059 PolarHBondContact O-N 2.92Å; D1057-S1059 WeakPolarHBondContact OD1-CA 3.05Å; D1057-S1059 WeakPolarHBondContact OD1-CB 3.47Å; D1057-S1059 PolarHBondContact OD1-N 2.96Å; D1057-S1059 PolarHBondContact OD1-OG 3.27Å; S1059-P1198 WeakPolarHBondContact O-CA 3.03Å; S1059-L1199 PolarHBondContact O-N 2.83Å
1060	R	61.4	Low	58.6	Low	80 Å²	80	58.2 Å²	58.2	30%	0.302	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	141.7	-173.4	55.2	-156.5	144.1	163.6	-3.2	113.7	D1057 R1062 I1197 P1198	D1057-R1060 PolarHBondContact N-O 2.88Å; D1057-R1060 PolarHBondContact O-N 3.5Å; D1057-R1060 PolarHBondContact OD1-N 2.88Å; D1057-R1060 IonicContact OD1-NE 2.85Å; D1057-R1060 WeakPolarHBondContact OD2-CG 3.3Å; D1057-R1060 IonicContact OD2-NE 3.71Å; D1057-R1060 PolarHBondContact OD2-NE 3.35Å; R1060-R1062 VanDerWaalsContact CD-NH2 3.33Å; R1060-R1062 VanDerWaalsContact NE-NH2 3.11Å; R1060-I1197 VanDerWaalsContact CA-O 3.3Å; R1060-I1197 WeakPolarHBondContact CA-O 3.18Å; R1060-P1198 HydrophobicContact CB-CB 4.43Å
1061	I	68.1	Low	58.4	Low	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.3	173.4	-55.7	165.1	0	0	0	108	H1056 I1124 I1197 L1199 W1245 L1251 Y1253	H1056-I1061 HydrophobicContact CB-CB 4.43Å; H1056-I1061 HydrophobicContact CB-CG1 4Å; H1056-I1061 HydrophobicContact CB-CG2 4.37Å; I1061-I1124 HydrophobicContact CB-CD1 4.47Å; I1061-I1124 HydrophobicContact CD1-CD1 4.25Å; I1061-I1124 HydrophobicContact CD1-CG2 4.03Å; I1061-I1124 HydrophobicContact CG2-CD1 4.08Å; I1061-I1197 PolarHBondContact N-O 3.01Å; I1061-I1197 PolarHBondContact O-N 2.85Å; I1061-L1199 HydrophobicContact CD1-CD2 3.9Å; I1061-L1199 HydrophobicContact CG1-CD1 4.2Å; I1061-L1199 HydrophobicContact CG1-CD2 4.21Å; I1061-W1245 HydrophobicContact CD1-CE3 4.47Å; I1061-L1251 HydrophobicContact CD1-CD1 3.75Å; I1061-L1251 HydrophobicContact CG1-CD1 3.83Å; I1061-L1251 HydrophobicContact CG2-CD1 4.25Å; I1061-Y1253 HydrophobicContact CG2-CE1 3.63Å; I1061-Y1253 WeakPolarHBondContact CG2-OH 3.29Å
1062	R	65.6	Low	57.6	Low	37 Å²	37	59 Å²	59	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135	-178.1	-48.3	-176.3	173.4	79.4	-10.6	110.9	F1054 T1055 D1057 R1060 Y1064 I1195 E1196	F1054-R1062 WeakPolarHBondContact CA-O 3.45Å; T1055-R1062 PolarHBondContact N-O 3.09Å; T1055-R1062 WeakPolarHBondContact O-CB 3.2Å; T1055-R1062 PolarHBondContact O-N 2.89Å; D1057-R1062 IonicContact OD2-CZ 3.65Å; D1057-R1062 IonicContact OD2-NH1 3.99Å; D1057-R1062 PolarHBondContact OD2-NH1 2.91Å; D1057-R1062 IonicContact OD2-NH2 2.69Å; D1057-R1062 PolarHBondContact OD2-NH2 2.89Å; R1060-R1062 VanDerWaalsContact CD-NH2 3.33Å; R1060-R1062 VanDerWaalsContact NE-NH2 3.11Å; R1062-Y1064 HydrophobicContact CB-CE2 4Å; R1062-Y1064 WeakPolarHBondContact CD-OH 3.36Å; R1062-I1195 CarbonylContact C-O 3.59Å; R1062-I1195 WeakPolarHBondContact CA-O 3.41Å; R1062-E1196 HydrophobicContact CB-CG 4.29Å; R1062-E1196 WeakPolarHBondContact CD-OE1 3.26Å; R1062-E1196 HydrophobicContact CG-CB 4.37Å; R1062-E1196 HydrophobicContact CG-CG 3.81Å; R1062-E1196 IonicContact CZ-OE2 3.56Å; R1062-E1196 IonicContact NE-OE1 3.39Å; R1062-E1196 PolarHBondContact NE-OE1 3.11Å; R1062-E1196 IonicContact NE-OE2 3.17Å; R1062-E1196 PolarHBondContact NE-OE2 2.88Å
1063	V	71	Confident	56.5	Low	0 Å²	0	64 Å²	64	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	114.5	176.1	-168.6	0	0	0	0	108.2	M1052 F1054 F1065 I1195 Y1253 F1255	M1052-V1063 HydrophobicContact CE-CG1 4.44Å; M1052-V1063 HydrophobicContact SD-CG1 4.37Å; F1054-V1063 HydrophobicContact CD1-CB 4.36Å; F1054-V1063 HydrophobicContact CD1-CG1 3.99Å; F1054-V1063 HydrophobicContact CD1-CG2 3.79Å; F1054-V1063 HydrophobicContact CE1-CB 4.33Å; F1054-V1063 HydrophobicContact CE1-CG1 3.62Å; F1054-V1063 HydrophobicContact CE1-CG2 3.83Å; F1054-V1063 HydrophobicContact CZ-CG1 4.16Å; V1063-F1065 HydrophobicContact CG1-CD1 4.26Å; V1063-I1195 HydrophobicContact CB-CB 4.44Å; V1063-I1195 PolarHBondContact N-O 2.83Å; V1063-I1195 PolarHBondContact O-N 3.04Å; V1063-Y1253 HydrophobicContact CG2-CD1 4.41Å; V1063-Y1253 HydrophobicContact CG2-CE1 4.15Å; V1063-F1255 HydrophobicContact CG1-CE1 4.1Å; V1063-F1255 HydrophobicContact CG1-CZ 3.93Å
1064	Y	64.2	Low	55	Low	55 Å²	55	61 Å²	61	22%	0.216	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134	174	-52.6	-73	0	0	0	109.6	M1052 R1053 R1062 R1194	M1052-Y1064 CarbonylContact C-O 3.44Å; M1052-Y1064 VanDerWaalsContact CA-O 3.25Å; M1052-Y1064 WeakPolarHBondContact CA-O 3.44Å; R1053-Y1064 HydrophobicContact CB-CD2 4.37Å; R1053-Y1064 PolarHBondContact N-O 2.98Å; R1053-Y1064 WeakPolarHBondContact O-CD2 3.5Å; R1053-Y1064 PolarHBondContact O-N 2.97Å; R1062-Y1064 HydrophobicContact CB-CE2 4Å; R1062-Y1064 WeakPolarHBondContact CD-OH 3.36Å; Y1064-R1194 HydrophobicContact CD1-CB 4.2Å; Y1064-R1194 HydrophobicContact CD1-CG 3.73Å; Y1064-R1194 HydrophobicContact CE1-CG 3.77Å
1065	F	67.6	Low	53.4	Low	11 Å²	11	68.4 Å²	68.4	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.9	176.4	57.4	-92.2	0	0	0	110.3	N1051 M1052 V1063 P1067 F1070 M1120 P1190 G1193 I1195	N1051-F1065 WeakPolarHBondContact O-CA 3.42Å; M1052-F1065 HydrophobicContact CE-CB 3.9Å; M1052-F1065 HydrophobicContact CE-CD1 3.62Å; M1052-F1065 HydrophobicContact CE-CE1 4.21Å; M1052-F1065 HydrophobicContact CE-CG 3.77Å; M1052-F1065 HydrophobicContact CG-CB 3.97Å; V1063-F1065 HydrophobicContact CG1-CD1 4.26Å; F1065-P1067 VanDerWaalsContact O-CD 3.31Å; F1065-P1067 WeakPolarHBondContact O-CD 3.38Å; F1065-F1070 HydrophobicContact CB-CE2 4.46Å; F1065-F1070 AromaticContact CD2-CD2 3.98Å; F1065-F1070 HydrophobicContact CD2-CD2 3.98Å; F1065-F1070 AromaticContact CD2-CE2 3.15Å; F1065-F1070 HydrophobicContact CD2-CE2 3.15Å; F1065-F1070 AromaticContact CD2-CZ 3.58Å; F1065-F1070 HydrophobicContact CD2-CZ 3.58Å; F1065-F1070 HydrophobicContact CE2-CD2 4.18Å; F1065-F1070 HydrophobicContact CE2-CE1 4.3Å; F1065-F1070 AromaticContact CE2-CE2 3.48Å; F1065-F1070 HydrophobicContact CE2-CE2 3.48Å; F1065-F1070 VanDerWaalsContact CE2-CE2 3.48Å; F1065-F1070 AromaticContact CE2-CZ 3.51Å; F1065-F1070 HydrophobicContact CE2-CZ 3.51Å; F1065-F1070 HydrophobicContact CG-CE2 4.01Å; F1065-F1070 HydrophobicContact CG-CZ 4.3Å; F1065-F1070 HydrophobicContact CZ-CZ 4.22Å; F1065-M1120 HydrophobicContact CE1-CE 4.4Å; F1065-M1120 HydrophobicContact CZ-CE 4.15Å; F1065-P1190 VanDerWaalsContact CE2-O 3.27Å; F1065-P1190 WeakPolarHBondContact CE2-O 3.29Å; F1065-P1190 VanDerWaalsContact CZ-O 3.24Å; F1065-P1190 WeakPolarHBondContact CZ-O 3.47Å; F1065-G1193 PolarHBondContact N-O 2.87Å; F1065-G1193 CarbonylContact O-C 3.59Å; F1065-G1193 VanDerWaalsContact O-C 3.3Å; F1065-G1193 WeakPolarHBondContact O-CA 3.25Å; F1065-I1195 HydrophobicContact CE1-CD1 3.63Å; F1065-I1195 HydrophobicContact CE1-CG1 4.08Å; F1065-I1195 HydrophobicContact CZ-CD1 4.17Å
1066	D	62.6	Low	52	Low	68 Å²	68	69.6 Å²	69.6	36%	0.364	37%	0.366	S	S	.	.			trans	-73.2	115.7	175.2	174.5	6.1	0	0	0	109.6	L1068 Y1069	D1066-L1068 PolarHBondContact O-N 2.95Å; D1066-L1068 VanDerWaalsContact OD1-CB 3.23Å; D1066-L1068 WeakPolarHBondContact OD1-CB 3.18Å; D1066-L1068 WeakPolarHBondContact OD1-CG 3.29Å; D1066-L1068 PolarHBondContact OD1-N 2.82Å; D1066-Y1069 HydrophobicContact CB-CD2 3.79Å; D1066-Y1069 HydrophobicContact CB-CE2 4.09Å; D1066-Y1069 PolarHBondContact O-N 3.23Å; D1066-Y1069 VanDerWaalsContact O-N 3.16Å; D1066-Y1069 WeakPolarHBondContact OD2-CE2 3.39Å
1067	P	54.5	Low	50.2	Low	29 Å²	29	71 Å²	71	19%	0.188	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-68.1	-16.7	-176.5	30.4	-34.3	0	0	0	111.9	F1065 Y1069 F1070 F1071 E1191	F1065-P1067 VanDerWaalsContact O-CD 3.31Å; F1065-P1067 WeakPolarHBondContact O-CD 3.38Å; P1067-Y1069 PolarHBondContact O-N 2.86Å; P1067-Y1069 VanDerWaalsContact O-N 3.17Å; P1067-F1070 WeakPolarHBondContact O-CB 3.29Å; P1067-F1070 PolarHBondContact O-N 2.84Å; P1067-F1071 HydrophobicContact CB-CE2 4.37Å; P1067-F1071 WeakPolarHBondContact O-CD2 3.24Å; P1067-F1071 PolarHBondContact O-N 2.78Å; P1067-E1191 VanDerWaalsContact CB-O 3.25Å; P1067-E1191 WeakPolarHBondContact CB-O 3.36Å; P1067-E1191 VanDerWaalsContact CG-O 3.32Å; P1067-E1191 WeakPolarHBondContact CG-O 3.39Å
1068	L	49	Very low	49	Very low	122 Å²	122	75 Å²	75	64%	0.639	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.9	173.8	-60.8	170.9	0	0	0	112.9	D1066	D1066-L1068 PolarHBondContact O-N 2.95Å; D1066-L1068 VanDerWaalsContact OD1-CB 3.23Å; D1066-L1068 WeakPolarHBondContact OD1-CB 3.18Å; D1066-L1068 WeakPolarHBondContact OD1-CG 3.29Å; D1066-L1068 PolarHBondContact OD1-N 2.82Å
1069	Y	52.8	Low	47.6	Very low	97 Å²	97	80 Å²	80	38%	0.38	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-74.8	-24.6	170.7	-75.4	-92.1	0	0	0	113.2	N1051 D1066 P1067 K1072	N1051-Y1069 WeakPolarHBondContact ND2-CD1 3.37Å; N1051-Y1069 WeakPolarHBondContact ND2-CE1 3.45Å; D1066-Y1069 HydrophobicContact CB-CD2 3.79Å; D1066-Y1069 HydrophobicContact CB-CE2 4.09Å; D1066-Y1069 PolarHBondContact O-N 3.23Å; D1066-Y1069 VanDerWaalsContact O-N 3.16Å; D1066-Y1069 WeakPolarHBondContact OD2-CE2 3.39Å; P1067-Y1069 PolarHBondContact O-N 2.86Å; P1067-Y1069 VanDerWaalsContact O-N 3.17Å; Y1069-K1072 WeakPolarHBondContact O-CB 3.03Å
1070	F	48	Very low	46.5	Very low	47 Å²	47	86.4 Å²	86.4	21%	0.206	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-39.3	174.9	-68.4	-116.9	0	0	0	110.6	P1046 I1047 M1052 F1065 P1067 K1072 F1257	P1046-F1070 HydrophobicContact CG-CD1 4.22Å; P1046-F1070 HydrophobicContact CG-CG 4.42Å; I1047-F1070 HydrophobicContact CD1-CE1 3.55Å; I1047-F1070 HydrophobicContact CD1-CE2 4.4Å; I1047-F1070 HydrophobicContact CD1-CZ 3.44Å; I1047-F1070 VanDerWaalsContact CD1-CZ 3.44Å; I1047-F1070 HydrophobicContact CG1-CD1 4.46Å; I1047-F1070 HydrophobicContact CG1-CE1 3.75Å; I1047-F1070 HydrophobicContact CG1-CE2 4Å; I1047-F1070 HydrophobicContact CG1-CZ 3.49Å; I1047-F1070 VanDerWaalsContact CG1-CZ 3.49Å; M1052-F1070 HydrophobicContact CE-CZ 4.18Å; F1065-F1070 HydrophobicContact CB-CE2 4.46Å; F1065-F1070 AromaticContact CD2-CD2 3.98Å; F1065-F1070 HydrophobicContact CD2-CD2 3.98Å; F1065-F1070 AromaticContact CD2-CE2 3.15Å; F1065-F1070 HydrophobicContact CD2-CE2 3.15Å; F1065-F1070 AromaticContact CD2-CZ 3.58Å; F1065-F1070 HydrophobicContact CD2-CZ 3.58Å; F1065-F1070 HydrophobicContact CE2-CD2 4.18Å; F1065-F1070 HydrophobicContact CE2-CE1 4.3Å; F1065-F1070 AromaticContact CE2-CE2 3.48Å; F1065-F1070 HydrophobicContact CE2-CE2 3.48Å; F1065-F1070 VanDerWaalsContact CE2-CE2 3.48Å; F1065-F1070 AromaticContact CE2-CZ 3.51Å; F1065-F1070 HydrophobicContact CE2-CZ 3.51Å; F1065-F1070 HydrophobicContact CG-CE2 4.01Å; F1065-F1070 HydrophobicContact CG-CZ 4.3Å; F1065-F1070 HydrophobicContact CZ-CZ 4.22Å; P1067-F1070 WeakPolarHBondContact O-CB 3.29Å; P1067-F1070 PolarHBondContact O-N 2.84Å; F1070-K1072 PolarHBondContact O-N 2.59Å; F1070-K1072 VanDerWaalsContact O-N 3.14Å; F1070-F1257 HydrophobicContact CD1-CE1 4.35Å; F1070-F1257 AromaticContact CE1-CE1 3.61Å; F1070-F1257 HydrophobicContact CE1-CE1 3.61Å; F1070-F1257 AromaticContact CE1-CZ 3.59Å; F1070-F1257 HydrophobicContact CE1-CZ 3.59Å; F1070-F1257 HydrophobicContact CZ-CZ 4.28Å
1071	F	43.2	Very low	45	Very low	119 Å²	119	87.9 Å²	87.9	52%	0.522	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	13.7	176.3	-61.7	-64.3	0	0	0	114.2	P1067 T1073 E1191	P1067-F1071 HydrophobicContact CB-CE2 4.37Å; P1067-F1071 WeakPolarHBondContact O-CD2 3.24Å; P1067-F1071 PolarHBondContact O-N 2.78Å; F1071-T1073 PolarHBondContact O-N 2.88Å; F1071-E1191 HydrophobicContact CE2-CB 3.88Å; F1071-E1191 HydrophobicContact CZ-CB 3.71Å
1072	K	38.3	Very low	43.1	Very low	157 Å²	157	96.6 Å²	96.6	68%	0.683	56%	0.557	S	S	*	*			trans	-79.2	76.3	175.9	-145.3	170.9	-169.4	176.1	0	110.4	Y1069 F1070 S1074	Y1069-K1072 WeakPolarHBondContact O-CB 3.03Å; F1070-K1072 PolarHBondContact O-N 2.59Å; F1070-K1072 VanDerWaalsContact O-N 3.14Å; K1072-S1074 PolarHBondContact O-N 3.33Å
1073	T	33.7	Very low	41.3	Very low	115 Å²	115	103.1 Å²	103.1	71%	0.706	59%	0.59	S	S	*	*			trans	-44.5	135.8	173.7	48.9	0	0	0	0	111.4	F1071 E1075	F1071-T1073 PolarHBondContact O-N 2.88Å; T1073-E1075 VanDerWaalsContact C-N 3.32Å; T1073-E1075 PolarHBondContact O-N 2.77Å
1074	S	28.3	Very low	39.4	Very low	127 Å²	127	109.9 Å²	109.9	89%	0.888	63%	0.626	S	S	*	*			trans	-73.1	76.5	-173.6	58	0	0	0	0	113.1	K1072	K1072-S1074 PolarHBondContact O-N 3.33Å
1075	E	29.4	Very low	37.6	Very low	178 Å²	178	116.2 Å²	116.2	83%	0.832	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-93.6	146.4	159.7	-66.1	-156.8	130.3	0	0	110.8	T1073	T1073-E1075 VanDerWaalsContact C-N 3.32Å; T1073-E1075 PolarHBondContact O-N 2.77Å
1076	G	29.2	Very low	35.7	Very low	82 Å²	82	122.9 Å²	122.9	85%	0.845	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-65.3	145.9	-161.3	0	0	0	0	0	115.2
1077	G	25.5	Very low	34.1	Very low	75 Å²	75	128.8 Å²	128.8	77%	0.773	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-73.4	157.6	-177.3	0	0	0	0	0	114.9
1078	S	28.3	Very low	32.8	Very low	128 Å²	128	133.3 Å²	133.3	90%	0.895	74%	0.737	S	S	*	*			trans	-148.5	140.8	155.3	-82.4	0	0	0	0	110.1
1079	T	26.5	Very low	31.9	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	75%	0.748	S	S	*	*			trans	-88.7	131.8	-171.9	50.6	0	0	0	0	112.2
1080	V	29.9	Very low	30.7	Very low	148 Å²	148	139.2 Å²	139.2	90%	0.897	77%	0.766	S	S	*	*			trans	-137.7	144.6	155.4	-174.3	0	0	0	0	108.4
1081	S	29.5	Very low	29.7	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	80%	0.797	S	S	*	*			trans	-84.3	168.6	-171.1	57	0	0	0	0	114.5
1082	E	27.6	Very low	29	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	82%	0.816	S	S	*	*			trans	-59.2	137.7	160.9	-59.1	168.1	116.5	0	0	111
1083	E	28.8	Very low	28.6	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	82%	0.818	S	S	*	*				172.7	165.3	122.9	-95.9	-167.7	171.8	0	0	111.5
1084	N	31	Very low	28.4	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	82%	0.822	S	S	*	*			trans	68.9	78.7	169.5	-62.7	-56.6	0	0	0	118.7
1085	K	25.9	Very low	28.5	Very low	189 Å²	189	147.2 Å²	147.2	82%	0.822	82%	0.816	S	S	*	*			trans	7.1	145.3	131.2	-60.5	179.3	179	-179.7	0	118.7
1086	N	28.2	Very low	28.6	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	81%	0.809	S	S	*	*			trans	76.3	81.9	161.7	-56.6	-13.2	0	0	0	117.5
1087	H	29.2	Very low	28.6	Very low	191 Å²	191	148.1 Å²	148.1	88%	0.884	81%	0.806	S	S	*	*			trans	-144.6	131.9	130.7	-122.9	-75.1	0	0	0	113.4
1088	I	26.8	Very low	28.8	Very low	125 Å²	125	149.7 Å²	149.7	64%	0.641	80%	0.8	S	S	*	*			trans	-85.5	134.5	177.4	-64	166.1	0	0	0	109	K1090	I1088-K1090 HydrophobicContact CG2-CB 4.31Å; I1088-K1090 HydrophobicContact CG2-CD 4.23Å; I1088-K1090 HydrophobicContact CG2-CG 3.7Å
1089	I	30.1	Very low	29	Very low	170 Å²	170	148.6 Å²	148.6	87%	0.872	79%	0.788	S	S	*	*			trans	-118.5	101.4	154.8	-60.3	-177.1	0	0	0	107.6
1090	K	27.9	Very low	29.1	Very low	172 Å²	172	144.8 Å²	144.8	75%	0.748	78%	0.777	S	S	*	*			trans	-80.4	138.4	173.7	-89.6	170.6	179.5	177.6	0	109.8	I1088 K1092	I1088-K1090 HydrophobicContact CG2-CB 4.31Å; I1088-K1090 HydrophobicContact CG2-CD 4.23Å; I1088-K1090 HydrophobicContact CG2-CG 3.7Å; K1090-K1092 PolarHBondContact O-N 2.77Å
1091	T	27.2	Very low	29.1	Very low	140 Å²	140	143.4 Å²	143.4	86%	0.859	77%	0.765	S	S	*	*			trans	-62.6	121.5	154.7	39.8	0	0	0	0	109.6
1092	K	27.1	Very low	29	Very low	215 Å²	215	141.6 Å²	141.6	94%	0.935	75%	0.752	S	S	*	*			trans	-161.6	135.3	155	-122.5	-177.8	-178.1	-171	0	111.3	K1090	K1090-K1092 PolarHBondContact O-N 2.77Å
1093	S	30.8	Very low	29.1	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	75%	0.747	S	S	*	*			trans	-111.4	146.8	175.9	52.6	0	0	0	0	111
1094	T	29.8	Very low	29.2	Very low	126 Å²	126	132.8 Å²	132.8	77%	0.773	72%	0.718	S	S	*	*			trans	172.6	118.3	146.8	24.2	0	0	0	0	106.4
1095	L	29.5	Very low	29.1	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	71%	0.714	S	S	*	*				67.2	136.4	85.6	-96.5	84.1	0	0	0	113.6
1096	N	31.3	Very low	29.1	Very low	129 Å²	129	129.4 Å²	129.4	69%	0.69	72%	0.715	S	S	*	*			cis	-165	-162	-5.8	-149.5	0.3	0	0	0	112.4
1097	I	29.5	Very low	29.4	Very low	151 Å²	151	127.7 Å²	127.7	77%	0.774	71%	0.712	S	S	*	*			trans	99	138.5	165.3	-59.2	173.2	0	0	0	112.7
1098	V	29.4	Very low	29.4	Very low	108 Å²	108	126.3 Å²	126.3	66%	0.655	71%	0.71	S	S	*	*			cis	158.6	127.5	-27.9	142.6	0	0	0	0	104.3
1099	T	32.8	Very low	29.3	Very low	104 Å²	104	128 Å²	128	64%	0.638	71%	0.713	S	S	*	*				-142.1	152.7	62.1	51.1	0	0	0	0	110.9	Y1418	T1099-Y1418 WeakPolarHBondContact CB-OH 3.43Å; T1099-Y1418 HydrophobicContact CG2-CE1 4.09Å; T1099-Y1418 WeakPolarHBondContact CG2-OH 3.47Å
1100	G	28.7	Very low	29.5	Very low	60 Å²	60	123.5 Å²	123.5	62%	0.619	70%	0.696	S	S	*	*			cis	109	135.5	34.6	0	0	0	0	0	109.4
1101	N	29.4	Very low	29.7	Very low	120 Å²	120	118.1 Å²	118.1	64%	0.642	68%	0.675	S	S	*	*			cis	-158.6	158.3	7.6	-92.6	-15.9	0	0	0	112.9
1102	S	27.8	Very low	29.9	Very low	71 Å²	71	118.1 Å²	118.1	50%	0.497	67%	0.67	S	S	.	*			trans	70.3	141.7	167.3	76.8	0	0	0	0	117	T1411	S1102-T1411 WeakPolarHBondContact CA-OG1 3.23Å
1103	L	30.9	Very low	30.2	Very low	143 Å²	143	111.5 Å²	111.5	75%	0.749	65%	0.651	S	S	*	*				-146.5	164.2	50.9	-151	95	0	0	0	114.2	T1411	L1103-T1411 VanDerWaalsContact C-CB 3.47Å; L1103-T1411 PolarHBondContact N-OG1 3.39Å; L1103-T1411 WeakPolarHBondContact O-CB 3.5Å; L1103-T1411 PolarHBondContact O-OG1 3.29Å
1104	S	29.2	Very low	30.6	Very low	30 Å²	30	112 Å²	112	21%	0.21	64%	0.642	C	S	.	*			trans	-96.5	151.6	-172.5	56.4	0	0	0	0	116.7	T1411	S1104-T1411 WeakPolarHBondContact CB-O 3.42Å
1105	S	29.1	Very low	31.3	Very low	97 Å²	97	113 Å²	113	68%	0.678	64%	0.638	S	S	*	*			trans	89	144.1	148.7	77.3	0	0	0	0	122
1106	L	26.8	Very low	32.1	Very low	163 Å²	163	110.5 Å²	110.5	85%	0.853	63%	0.625	S	S	*	*			trans	84.2	150.7	162.6	-66.4	168.5	0	0	0	118.7
1107	P	33.7	Very low	32.9	Very low	114 Å²	114	110.3 Å²	110.3	74%	0.74	62%	0.62	S	S	*	*			trans	-131.9	170.4	-133.5	43.4	-28.5	0	0	0	117
1108	I	28.8	Very low	34.2	Very low	162 Å²	162	106.3 Å²	106.3	83%	0.831	60%	0.595	S	S	*	*			trans	-141.7	113.9	169.4	-60.8	175.9	0	0	0	103.8
1109	K	25.9	Very low	35.7	Very low	161 Å²	161	105.5 Å²	105.5	70%	0.7	58%	0.583	S	S	*	*				56.1	72.2	59.2	-109.6	-174.2	157.1	-78.4	0	113.6	D1111	K1109-D1111 IonicContact NZ-OD1 3.24Å; K1109-D1111 PolarHBondContact NZ-OD1 3.01Å
1110	S	33.3	Very low	37.6	Very low	76 Å²	76	100.6 Å²	100.6	53%	0.531	55%	0.552	S	S	.	*			trans	-78.6	152.3	144	45.9	0	0	0	0	108.9	S1368 P1369	S1110-S1368 CarbonylContact C-O 3.51Å; S1110-S1368 VanDerWaalsContact CA-O 3.22Å; S1110-S1368 WeakPolarHBondContact CA-O 2.94Å; S1110-S1368 VanDerWaalsContact CB-O 3.24Å; S1110-S1368 WeakPolarHBondContact CB-O 3.49Å; S1110-P1369 VanDerWaalsContact CB-O 3.28Å; S1110-P1369 WeakPolarHBondContact CB-O 3.22Å
1111	D	32.3	Very low	39.3	Very low	58 Å²	58	100 Å²	100	31%	0.31	54%	0.535	S	S	.	.			trans	-118.3	-173.3	-161.9	-74	-52.8	0	0	0	114.1	K1109 V1366 D1367 S1368	K1109-D1111 IonicContact NZ-OD1 3.24Å; K1109-D1111 PolarHBondContact NZ-OD1 3.01Å; D1111-V1366 HydrophobicContact CB-CB 3.63Å; D1111-V1366 HydrophobicContact CB-CG1 3.5Å; D1111-V1366 VanDerWaalsContact CB-CG1 3.5Å; D1111-V1366 HydrophobicContact CB-CG2 4.27Å; D1111-D1367 CarbonylContact C-O 3.48Å; D1111-D1367 WeakPolarHBondContact CA-O 3.13Å; D1111-D1367 HydrophobicContact CB-CB 4.36Å; D1111-D1367 WeakPolarHBondContact CB-O 3.29Å; D1111-S1368 PolarHBondContact N-O 3.19Å
1112	N	31.4	Very low	41.4	Very low	141 Å²	141	94.3 Å²	94.3	75%	0.754	51%	0.505	S	S	*	.			trans	-89.7	96.4	179.9	-70.8	-2.8	0	0	0	112.4	V1366 D1367	N1112-V1366 HydrophobicContact CB-CG2 4.21Å; N1112-V1366 WeakPolarHBondContact O-CB 3.33Å; N1112-V1366 WeakPolarHBondContact O-CG2 3.45Å; N1112-V1366 PolarHBondContact O-N 2.83Å; N1112-D1367 CarbonylContact C-O 3.5Å; N1112-D1367 PolarHBondContact N-O 2.8Å; N1112-D1367 VanDerWaalsContact N-O 3.07Å
1113	S	34.5	Very low	43.3	Very low	75 Å²	75	95.7 Å²	95.7	52%	0.524	50%	0.499	S	S	.	.			trans	-88.9	121.2	170.6	57.3	0	0	0	0	111.6	Q1115 V1366 D1367	S1113-Q1115 PolarHBondContact O-N 3.15Å; S1113-V1366 VanDerWaalsContact CA-O 3.23Å; S1113-V1366 WeakPolarHBondContact CA-O 3.44Å; S1113-V1366 WeakPolarHBondContact CB-O 3.46Å; S1113-D1367 PolarHBondContact N-O 3.48Å
1114	Q	38.9	Very low	45.2	Very low	116 Å²	116	89 Å²	89	54%	0.542	46%	0.464	S	S	.	.			trans	-19.6	109.4	176.1	-58.8	177.7	-8.1	0	0	115.9	L1363 S1364	Q1114-L1363 PolarHBondContact NE2-O 2.79Å; Q1114-S1364 PolarHBondContact NE2-O 3.47Å
1115	Q	43.6	Very low	47	Very low	145 Å²	145	87.6 Å²	87.6	68%	0.678	45%	0.454	S	S	*	.			trans	-80	112.5	154.5	-75.4	-174.4	-92	0	0	108.3	S1113 Q1117	S1113-Q1115 PolarHBondContact O-N 3.15Å; Q1115-Q1117 PolarHBondContact O-N 2.96Å
1116	L	45.9	Very low	48.4	Very low	96 Å²	96	83 Å²	83	50%	0.503	42%	0.421	S	S	.	.			trans	-65.2	122	168.6	-70.1	158.9	0	0	0	108.8	W1118	L1116-W1118 PolarHBondContact O-N 3.44Å
1117	Q	49.1	Very low	49.7	Very low	125 Å²	125	75.9 Å²	75.9	58%	0.584	39%	0.386	S	S	*	.			trans	-82.2	84.3	-176.2	-63.8	-155	-71.2	0	0	112	Q1115 E1260	Q1115-Q1117 PolarHBondContact O-N 2.96Å; Q1117-E1260 HydrophobicContact CB-CG 4.09Å; Q1117-E1260 PolarHBondContact N-OE1 2.64Å
1118	W	57.5	Low	50.2	Low	67 Å²	67	75.5 Å²	75.5	25%	0.254	38%	0.377	S	S	.	.			trans	-77.9	136.9	172.9	-62.3	95.3	0	0	0	111.5	L1116 P1190 Y1258 D1259 V1265	L1116-W1118 PolarHBondContact O-N 3.44Å; W1118-P1190 HydrophobicContact CB-CG 3.79Å; W1118-P1190 WeakPolarHBondContact O-CD 3.28Å; W1118-Y1258 WeakPolarHBondContact CA-O 3.44Å; W1118-D1259 HydrophobicContact CE3-CB 4.17Å; W1118-D1259 HydrophobicContact CH2-CB 4.07Å; W1118-D1259 HydrophobicContact CZ3-CB 3.61Å; W1118-V1265 HydrophobicContact CH2-CB 4.37Å; W1118-V1265 HydrophobicContact CH2-CG1 4.17Å; W1118-V1265 HydrophobicContact CH2-CG2 4.19Å; W1118-V1265 HydrophobicContact CZ3-CB 3.8Å; W1118-V1265 HydrophobicContact CZ3-CG1 4.07Å; W1118-V1265 HydrophobicContact CZ3-CG2 3.69Å
1119	K	61.1	Low	50.7	Low	92 Å²	92	75.1 Å²	75.1	40%	0.4	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.3	169.2	-62.9	-164.5	179.7	-163.4	0	110.6	E1188 F1257 Y1258	K1119-E1188 HydrophobicContact CD-CG 4.41Å; K1119-E1188 WeakPolarHBondContact CE-OE1 3.43Å; K1119-E1188 IonicContact NZ-OE1 2.71Å; K1119-E1188 PolarHBondContact NZ-OE1 3.13Å; K1119-F1257 CarbonylContact O-C 3.57Å; K1119-F1257 WeakPolarHBondContact O-CA 3.48Å; K1119-Y1258 PolarHBondContact N-O 2.85Å; K1119-Y1258 PolarHBondContact O-N 3.25Å
1120	M	70.8	Confident	50.9	Low	0 Å²	0	77.9 Å²	77.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.3	177.8	173.6	172.7	52	0	0	111.7	F1065 I1122 L1186 V1187 P1190 I1195 F1255 R1256 F1257	F1065-M1120 HydrophobicContact CE1-CE 4.4Å; F1065-M1120 HydrophobicContact CZ-CE 4.15Å; M1120-I1122 HydrophobicContact CE-CD1 3.93Å; M1120-I1122 HydrophobicContact CE-CG1 4.31Å; M1120-I1122 HydrophobicContact CG-CG1 3.97Å; M1120-I1122 HydrophobicContact SD-CD1 4.07Å; M1120-I1122 HydrophobicContact SD-CG1 3.95Å; M1120-L1186 CarbonylContact O-C 3.49Å; M1120-L1186 WeakPolarHBondContact O-CA 3.36Å; M1120-L1186 WeakPolarHBondContact O-CD1 3.25Å; M1120-V1187 HydrophobicContact CB-CB 4.32Å; M1120-V1187 HydrophobicContact CE-CB 4.01Å; M1120-V1187 HydrophobicContact CE-CG1 3.86Å; M1120-V1187 HydrophobicContact CE-CG2 4.45Å; M1120-V1187 PolarHBondContact N-O 3.35Å; M1120-V1187 PolarHBondContact O-N 2.9Å; M1120-P1190 HydrophobicContact CB-CB 4.15Å; M1120-P1190 HydrophobicContact CE-CB 3.86Å; M1120-I1195 HydrophobicContact CE-CD1 3.28Å; M1120-F1255 HydrophobicContact SD-CB 4.49Å; M1120-F1255 HydrophobicContact SD-CD1 3.73Å; M1120-R1256 CarbonylContact C-O 3.52Å; M1120-R1256 VanDerWaalsContact CA-O 3.22Å; M1120-R1256 WeakPolarHBondContact CA-O 3.46Å; M1120-F1257 HydrophobicContact CB-CD1 3.88Å; M1120-F1257 HydrophobicContact CB-CE1 3.82Å; M1120-F1257 HydrophobicContact CE-CE1 4.35Å; M1120-F1257 HydrophobicContact CG-CD1 4.11Å; M1120-F1257 HydrophobicContact CG-CE1 3.7Å; M1120-F1257 HydrophobicContact CG-CZ 3.91Å; M1120-F1257 HydrophobicContact SD-CD1 4.22Å; M1120-F1257 HydrophobicContact SD-CE1 3.24Å; M1120-F1257 WeakPolarHBondContact SD-CE1 3.48Å; M1120-F1257 HydrophobicContact SD-CE2 4.17Å; M1120-F1257 HydrophobicContact SD-CZ 3.19Å; M1120-F1257 WeakPolarHBondContact SD-CZ 3.28Å
1121	L	66.3	Low	50.8	Low	49 Å²	49	83 Å²	83	26%	0.257	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.6	168.3	-176.1	74.1	0	0	0	109.2	L1186 F1255 R1256 Y1258	L1121-L1186 HydrophobicContact CB-CD1 4.12Å; L1121-L1186 HydrophobicContact CD1-CB 4.3Å; L1121-L1186 HydrophobicContact CD1-CD1 4.1Å; L1121-F1255 CarbonylContact O-C 3.53Å; L1121-F1255 WeakPolarHBondContact O-CA 3.42Å; L1121-R1256 HydrophobicContact CB-CB 4.36Å; L1121-R1256 PolarHBondContact N-O 2.65Å; L1121-R1256 PolarHBondContact O-N 3.4Å; L1121-Y1258 HydrophobicContact CB-CE2 4.1Å
1122	I	72.4	Confident	50.6	Low	0 Å²	0	90.5 Å²	90.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.3	174.8	-52.3	-177.3	0	0	0	108.8	M1120 I1124 D1184 K1185 V1187 I1195 Q1254 F1255	M1120-I1122 HydrophobicContact CE-CD1 3.93Å; M1120-I1122 HydrophobicContact CE-CG1 4.31Å; M1120-I1122 HydrophobicContact CG-CG1 3.97Å; M1120-I1122 HydrophobicContact SD-CD1 4.07Å; M1120-I1122 HydrophobicContact SD-CG1 3.95Å; I1122-I1124 HydrophobicContact CG2-CD1 4.21Å; I1122-I1124 HydrophobicContact CG2-CG1 3.84Å; I1122-D1184 CarbonylContact O-C 3.42Å; I1122-D1184 WeakPolarHBondContact O-CA 3.23Å; I1122-K1185 PolarHBondContact N-O 2.87Å; I1122-K1185 PolarHBondContact O-N 2.81Å; I1122-V1187 HydrophobicContact CD1-CG2 4.19Å; I1122-V1187 HydrophobicContact CG1-CG2 4.43Å; I1122-I1195 HydrophobicContact CD1-CD1 3.51Å; I1122-I1195 HydrophobicContact CD1-CG2 4.37Å; I1122-Q1254 CarbonylContact C-O 3.59Å; I1122-Q1254 WeakPolarHBondContact CA-O 3.37Å; I1122-F1255 HydrophobicContact CB-CD1 4.47Å; I1122-F1255 HydrophobicContact CD1-CD1 3.72Å; I1122-F1255 HydrophobicContact CD1-CE1 3.6Å; I1122-F1255 HydrophobicContact CG1-CD1 3.63Å; I1122-F1255 HydrophobicContact CG1-CE1 4Å; I1122-F1255 HydrophobicContact CG1-CG 4.46Å; I1122-F1255 HydrophobicContact CG2-CD1 4.22Å; I1122-F1255 HydrophobicContact CG2-CE1 4.16Å
1123	R	66.8	Low	50.5	Low	100 Å²	100	93 Å²	93	38%	0.377	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.2	171.1	169.4	168.8	-78.3	-155.7	-8.3	108.7	I1183 D1184 Y1253 Q1254 W1270	R1123-I1183 CarbonylContact C-O 3.56Å; R1123-I1183 WeakPolarHBondContact CA-O 3.47Å; R1123-D1184 VanDerWaalsContact CB-OD1 3.23Å; R1123-D1184 WeakPolarHBondContact CB-OD1 3.39Å; R1123-D1184 WeakPolarHBondContact CG-OD1 3.2Å; R1123-D1184 IonicContact CZ-OD1 2.65Å; R1123-D1184 IonicContact CZ-OD2 2.69Å; R1123-D1184 IonicContact NE-OD1 3.19Å; R1123-D1184 PolarHBondContact NE-OD1 2.99Å; R1123-D1184 IonicContact NE-OD2 2.61Å; R1123-D1184 PolarHBondContact NE-OD2 2.8Å; R1123-D1184 IonicContact NH2-OD1 3.74Å; R1123-D1184 PolarHBondContact NH2-OD1 2.89Å; R1123-D1184 IonicContact NH2-OD2 3.27Å; R1123-D1184 PolarHBondContact NH2-OD2 2.84Å; R1123-Y1253 CarbonylContact O-C 3.47Å; R1123-Y1253 WeakPolarHBondContact O-CA 3.23Å; R1123-Q1254 HydrophobicContact CB-CB 4.48Å; R1123-Q1254 PolarHBondContact N-O 2.79Å; R1123-Q1254 PolarHBondContact O-N 3.13Å; R1123-W1270 VanDerWaalsContact CD-CH2 3.47Å; R1123-W1270 HydrophobicContact CG-CH2 3.54Å; R1123-W1270 HydrophobicContact CG-CZ2 4.36Å; R1123-W1270 HydrophobicContact CG-CZ3 4.09Å
1124	I	71.2	Confident	50.2	Low	2 Å²	2	97.6 Å²	97.6	1%	0.01	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.1	-177.4	-43.9	177.1	0	0	0	109.3	I1061 I1122 C1182 I1183 I1197 L1251 T1252 Y1253	I1061-I1124 HydrophobicContact CB-CD1 4.47Å; I1061-I1124 HydrophobicContact CD1-CD1 4.25Å; I1061-I1124 HydrophobicContact CD1-CG2 4.03Å; I1061-I1124 HydrophobicContact CG2-CD1 4.08Å; I1122-I1124 HydrophobicContact CG2-CD1 4.21Å; I1122-I1124 HydrophobicContact CG2-CG1 3.84Å; I1124-C1182 CarbonylContact O-C 3.44Å; I1124-C1182 WeakPolarHBondContact O-CA 3.36Å; I1124-I1183 PolarHBondContact N-O 3.19Å; I1124-I1183 PolarHBondContact O-N 2.82Å; I1124-I1197 HydrophobicContact CD1-CD1 3.55Å; I1124-L1251 HydrophobicContact CG2-CB 4.47Å; I1124-T1252 CarbonylContact C-O 3.47Å; I1124-T1252 VanDerWaalsContact CA-O 3.28Å; I1124-T1252 WeakPolarHBondContact CA-O 3Å; I1124-T1252 WeakPolarHBondContact CG2-O 3.39Å; I1124-Y1253 HydrophobicContact CB-CD1 4.18Å; I1124-Y1253 HydrophobicContact CB-CE1 4.4Å; I1124-Y1253 HydrophobicContact CD1-CD1 3.83Å; I1124-Y1253 HydrophobicContact CD1-CE1 3.74Å; I1124-Y1253 HydrophobicContact CG1-CD1 3.65Å; I1124-Y1253 HydrophobicContact CG1-CE1 4.01Å; I1124-Y1253 HydrophobicContact CG2-CD1 3.62Å; I1124-Y1253 HydrophobicContact CG2-CE1 3.53Å; I1124-Y1253 HydrophobicContact CG2-CG 4.17Å
1125	C	66.8	Low	49.6	Very low	0 Å²	0	97.3 Å²	97.3	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.9	178.6	-56.7	0	0	0	0	112.8	L1178 E1181 C1182 T1252 W1270	C1125-L1178 HydrophobicContact CB-CD2 3.77Å; C1125-L1178 HydrophobicContact CB-CG 4.23Å; C1125-E1181 VanDerWaalsContact CA-O 3.28Å; C1125-E1181 WeakPolarHBondContact CA-O 3.41Å; C1125-C1182 HydrophobicContact CB-CB 4.15Å; C1125-C1182 WeakPolarHBondContact CB-SG 3.47Å; C1125-C1182 WeakPolarHBondContact SG-CB 3.42Å; C1125-C1182 CovalentContact SG-SG 2.04Å; C1125-C1182 PolarHBondContact SG-SG 2.96Å; C1125-T1252 PolarHBondContact N-O 3.21Å; C1125-T1252 PolarHBondContact O-N 3.45Å; C1125-W1270 HydrophobicContact CB-CZ3 4.21Å; C1125-W1270 WeakPolarHBondContact SG-CH2 3.42Å; C1125-W1270 VanDerWaalsContact SG-CZ3 3.59Å
1126	A	59.9	Low	48.8	Very low	0 Å²	0	94.6 Å²	94.6	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.6	175.9	0	0	0	0	0	113.2	S1179 E1181 W1245 K1248 L1251	A1126-S1179 PolarHBondContact O-N 3.14Å; A1126-S1179 PolarHBondContact O-OG 3.42Å; A1126-E1181 HydrophobicContact CB-CB 4.2Å; A1126-E1181 PolarHBondContact N-O 2.91Å; A1126-W1245 HydrophobicContact CB-CE3 4.39Å; A1126-W1245 HydrophobicContact CB-CH2 4.48Å; A1126-W1245 HydrophobicContact CB-CZ3 3.88Å; A1126-K1248 HydrophobicContact CB-CD 4.09Å; A1126-K1248 HydrophobicContact CB-CG 4.24Å; A1126-L1251 HydrophobicContact CB-CD2 4.08Å
1127	S	52.6	Low	47.9	Very low	15 Å²	15	98.3 Å²	98.3	11%	0.105	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.9	176.3	-175.1	0	0	0	0	110.7	Y1129 K1250	S1127-Y1129 PolarHBondContact O-N 3.4Å; S1127-K1250 WeakPolarHBondContact CB-O 3.47Å; S1127-K1250 PolarHBondContact N-O 2.86Å
1128	N	44.3	Very low	46.9	Very low	105 Å²	105	97.9 Å²	97.9	56%	0.561	45%	0.45	S	S	*	.			trans	-81.2	114.5	175.4	-83.9	17.5	0	0	0	110.1	K1248	N1128-K1248 WeakPolarHBondContact OD1-CD 3.2Å; N1128-K1248 PolarHBondContact OD1-NZ 2.88Å
1129	Y	39.4	Very low	45.6	Very low	154 Å²	154	102.4 Å²	102.4	60%	0.604	48%	0.478	S	S	*	.			trans	-117.4	127	171.2	-136.9	-89.7	0	0	0	111.1	S1127 R1131	S1127-Y1129 PolarHBondContact O-N 3.4Å; Y1129-R1131 PolarHBondContact O-N 2.86Å
1130	Y	31.3	Very low	44	Very low	220 Å²	220	103.5 Å²	103.5	86%	0.863	49%	0.487	S	S	*	.			trans	-80.6	107.1	172.2	-88.9	-98.6	0	0	0	109.6
1131	R	30.3	Very low	42	Very low	182 Å²	182	110.6 Å²	110.6	69%	0.687	52%	0.518	S	S	*	.			trans	-70.6	132.2	169.3	-169	171.3	-62.9	-146.4	-0.4	110.1	Y1129 E1249	Y1129-R1131 PolarHBondContact O-N 2.86Å; R1131-E1249 WeakPolarHBondContact CB-OE1 3.49Å; R1131-E1249 IonicContact CZ-OE1 2.7Å; R1131-E1249 IonicContact CZ-OE2 3.52Å; R1131-E1249 VanDerWaalsContact CZ-OE2 3.32Å; R1131-E1249 VanDerWaalsContact NE-CD 3.31Å; R1131-E1249 IonicContact NE-OE1 2.72Å; R1131-E1249 PolarHBondContact NE-OE1 2.79Å; R1131-E1249 IonicContact NE-OE2 3.33Å; R1131-E1249 PolarHBondContact NE-OE2 2.65Å; R1131-E1249 IonicContact NH2-OE1 2.65Å; R1131-E1249 PolarHBondContact NH2-OE1 2.91Å; R1131-E1249 IonicContact NH2-OE2 3.49Å; R1131-E1249 PolarHBondContact NH2-OE2 3.08Å
1132	R	27.7	Very low	40.1	Very low	216 Å²	216	115.2 Å²	115.2	82%	0.815	54%	0.538	S	S	*	.			trans	-111.6	112.9	-177.2	178.5	-169.9	-58	166.2	4.6	108.7
1133	E	30.3	Very low	37.9	Very low	195 Å²	195	120.8 Å²	120.8	91%	0.911	58%	0.575	S	S	*	*			trans	-64.3	146.8	163.1	-70.2	-164.7	141	0	0	110.4
1134	Q	27.6	Very low	36	Very low	171 Å²	171	121.1 Å²	121.1	80%	0.799	59%	0.593	S	S	*	*			trans	-134.5	152.7	-157.9	-162.2	173.8	4.6	0	0	110.9
1135	S	27.6	Very low	33.9	Very low	110 Å²	110	126 Å²	126	77%	0.769	63%	0.628	S	S	*	*			trans	73.6	144.5	-173.7	80.5	0	0	0	0	115.1
1136	S	26.4	Very low	32.3	Very low	88 Å²	88	130.5 Å²	130.5	62%	0.615	66%	0.657	S	S	*	*			cis	-162.4	160.1	-15.7	38.8	0	0	0	0	111.2
1137	E	26.2	Very low	30.7	Very low	173 Å²	173	139.4 Å²	139.4	81%	0.808	70%	0.699	S	S	*	*			trans	41	133.3	139	-66.7	145.9	-175.7	0	0	119.6
1138	D	28.8	Very low	29.7	Very low	116 Å²	116	143.4 Å²	143.4	62%	0.62	73%	0.726	S	S	*	*			cis	-161.9	-164.9	15.9	-143.9	-18	0	0	0	112.7	I1140	D1138-I1140 WeakPolarHBondContact OD1-CB 3.36Å; D1138-I1140 WeakPolarHBondContact OD1-CD1 3.47Å
1139	I	30.8	Very low	28.9	Very low	162 Å²	162	144.5 Å²	144.5	83%	0.831	74%	0.737	S	S	*	*			trans	75.1	83.3	-176.4	-46.1	173	0	0	0	112
1140	I	27.7	Very low	28.3	Very low	115 Å²	115	145.4 Å²	145.4	59%	0.59	75%	0.749	S	S	*	*			cis	80.9	125.4	22.5	-116.7	-174	0	0	0	116.3	D1138	D1138-I1140 WeakPolarHBondContact OD1-CB 3.36Å; D1138-I1140 WeakPolarHBondContact OD1-CD1 3.47Å
1141	K	27	Very low	28	Very low	150 Å²	150	144.9 Å²	144.9	65%	0.652	75%	0.751	S	S	*	*			trans	67.8	143.7	160.3	-68.7	-179.6	167.1	-73.2	0	118.8
1142	E	27.4	Very low	27.8	Very low	146 Å²	146	142.5 Å²	142.5	68%	0.682	76%	0.757	S	S	*	*			cis	-160.3	173.9	-17.1	-123	155.4	-165.2	0	0	106.7
1143	C	25.6	Very low	27.7	Very low	116 Å²	116	140.6 Å²	140.6	78%	0.784	76%	0.762	S	S	*	*			cis	-148.6	-158.5	16.9	-144.6	0	0	0	0	107.6
1144	S	28.1	Very low	27.6	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	76%	0.762	S	S	*	*			cis	-152.3	-159.9	8.9	68.8	0	0	0	0	112.2
1145	S	25.9	Very low	27.3	Very low	105 Å²	105	140 Å²	140	73%	0.734	75%	0.747	S	S	*	*			trans	-156.8	-175.2	176.7	66.3	0	0	0	0	108.2
1146	P	33.4	Very low	27.3	Very low	94 Å²	94	140.4 Å²	140.4	61%	0.61	75%	0.747	S	S	*	*			cis	-144.8	178.3	8.1	43.9	-24.7	0	0	0	118.6
1147	Q	26.6	Very low	27.3	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.874	75%	0.748	S	S	*	*			trans	67	144.3	153.6	-72.4	160.5	16.4	0	0	118.5
1148	S	31.2	Very low	27.2	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	74%	0.744	S	S	*	*			cis	-156.9	158.1	24.3	55.4	0	0	0	0	116.5
1149	T	27.3	Very low	27.1	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	75%	0.754	S	S	*	*			trans	60.2	138.1	145.8	46.4	0	0	0	0	125.6
1150	M	27.9	Very low	27.4	Very low	172 Å²	172	145.1 Å²	145.1	85%	0.847	75%	0.753	S	S	*	*			trans	58.9	92.5	157.9	-69.6	-169.5	167.3	0	0	119.3
1151	K	24.9	Very low	27.2	Very low	209 Å²	209	148.3 Å²	148.3	91%	0.909	76%	0.758	S	S	*	*				63.6	92.5	87.8	-73.9	-168.5	173.6	-176.7	0	115.3
1152	T	26.5	Very low	27	Very low	133 Å²	133	148.5 Å²	148.5	82%	0.816	77%	0.765	S	S	*	*			trans	-122.5	145.7	168.6	46.1	0	0	0	0	111.1
1153	L	24.8	Very low	26.9	Very low	176 Å²	176	146.8 Å²	146.8	92%	0.921	76%	0.761	S	S	*	*			trans	-152.4	101.5	162.4	-153.1	78.2	0	0	0	110.4
1154	R	27.4	Very low	26.8	Very low	241 Å²	241	147.7 Å²	147.7	91%	0.909	76%	0.757	S	S	*	*			trans	-136.3	103.9	174.5	-88.2	-170.1	173.8	-170.3	-0	111.6
1155	K	23	Very low	26.7	Very low	112 Å²	112	153.4 Å²	153.4	49%	0.487	76%	0.764	S	S	.	*			trans	35.6	98.9	131.6	-55.8	178.8	169.1	-161.1	0	117.7	S962 G963	S962-K1155 PolarHBondContact O-NZ 3.12Å; S962-K1155 WeakPolarHBondContact OG-CD 3.49Å; S962-K1155 PolarHBondContact OG-NZ 2.85Å; G963-K1155 VanDerWaalsContact O-CE 3.24Å; G963-K1155 WeakPolarHBondContact O-CE 3.19Å; G963-K1155 PolarHBondContact O-NZ 3.08Å
1156	P	26.6	Very low	26.6	Very low	119 Å²	119	156.7 Å²	156.7	77%	0.773	77%	0.765	S	S	*	*			trans	-85.4	164.8	163.8	35.8	-34	0	0	0	112.2
1157	N	25.6	Very low	26.3	Very low	119 Å²	119	157 Å²	157	64%	0.636	77%	0.769	S	S	*	*			trans	-156.3	115.8	166.3	-128	24.1	0	0	0	111.5
1158	Y	25.6	Very low	26.3	Very low	184 Å²	184	157.5 Å²	157.5	72%	0.722	77%	0.769	S	S	*	*			trans	42.8	105.3	159.2	-60.4	-93.9	0	0	0	120.9	K966	K966-Y1158 PolarHBondContact NZ-OH 2.85Å
1159	R	25.4	Very low	26.5	Very low	219 Å²	219	157.6 Å²	157.6	83%	0.826	77%	0.767	S	S	*	*			trans	-141.4	147.2	140.1	-160.2	179.9	-165.3	-164.5	4.7	107.7
1160	S	37.8	Very low	26.5	Very low	116 Å²	116	158.1 Å²	158.1	81%	0.811	77%	0.765	S	S	*	*			trans	-96.3	117.4	-178.7	51	0	0	0	0	112.3
1161	W	23.4	Very low	26.4	Very low	182 Å²	182	157 Å²	157	69%	0.689	76%	0.762	S	S	*	*			trans	-164	137.7	174.4	-136	-59.5	0	0	0	103	D1163	W1161-D1163 PolarHBondContact NE1-OD2 3.38Å
1162	L	23.3	Very low	26.5	Very low	154 Å²	154	156 Å²	156	81%	0.806	76%	0.758	S	S	*	*				40.5	166.4	66.7	-99.1	70	0	0	0	114.9
1163	D	24.5	Very low	26.4	Very low	109 Å²	109	160.9 Å²	160.9	58%	0.583	76%	0.763	S	S	*	*			trans	60.4	94	165.9	-57	-19.2	0	0	0	119.8	W1161	W1161-D1163 PolarHBondContact NE1-OD2 3.38Å
1164	L	23.7	Very low	26.5	Very low	136 Å²	136	160.3 Å²	160.3	71%	0.712	76%	0.756	S	S	*	*				63.1	87.4	127.6	-75.5	147.2	0	0	0	121
1165	Y	25.5	Very low	26.4	Very low	227 Å²	227	153.8 Å²	153.8	89%	0.89	74%	0.743	S	S	*	*			trans	-153.2	128.4	135	-91.1	-78.8	0	0	0	106.8
1166	K	24.9	Very low	26.6	Very low	174 Å²	174	153.7 Å²	153.7	76%	0.757	75%	0.752	S	S	*	*			cis	72.3	125.4	26.3	-97	-178.1	178.9	178.1	0	115.6
1167	S	27.6	Very low	26.9	Very low	102 Å²	102	152.7 Å²	152.7	71%	0.713	75%	0.748	S	S	*	*			trans	71.3	143.5	-179.7	78.2	0	0	0	0	116.1
1168	F	25.3	Very low	27.2	Very low	197 Å²	197	150.7 Å²	150.7	86%	0.864	74%	0.736	S	S	*	*			cis	-153.9	-173.9	-10.7	-118.1	-34.5	0	0	0	110.2
1169	P	35.8	Very low	27.8	Very low	99 Å²	99	143.3 Å²	143.3	64%	0.643	71%	0.712	S	S	*	*			trans	-122.8	-177	-134	45	-30.8	0	0	0	118
1170	N	26.7	Very low	28.9	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	72%	0.717	S	S	*	*			trans	108.1	124.9	154.2	-69.9	-5.9	0	0	0	120.2
1171	N	27.2	Very low	29.7	Very low	148 Å²	148	138.5 Å²	138.5	79%	0.791	69%	0.692	S	S	*	*			trans	85.3	120.8	150.8	-64.6	-13	0	0	0	121.4
1172	K	25.7	Very low	31.4	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	68%	0.678	S	S	*	*			trans	71.2	91.2	160.8	-63.6	-170.2	175.8	-172.3	0	118
1173	Y	24.9	Very low	33.2	Very low	235 Å²	235	127.8 Å²	127.8	92%	0.922	65%	0.652	S	S	*	*			trans	30.6	99.9	141.9	-55.2	-75.6	0	0	0	118.4
1174	Q	26.8	Very low	34.7	Very low	164 Å²	164	126.2 Å²	126.2	77%	0.766	64%	0.644	S	S	*	*			trans	-149.4	114.3	154	-161.2	170.5	19.3	0	0	109.6	T1176	Q1174-T1176 HydrophobicContact CG-CG2 3.95Å; Q1174-T1176 PolarHBondContact O-N 2.58Å
1175	T	26.1	Very low	36.6	Very low	103 Å²	103	124.5 Å²	124.5	63%	0.632	63%	0.631	S	S	*	*			trans	-87.4	70.8	-176.3	29.2	0	0	0	0	111.7
1176	T	26.7	Very low	38.3	Very low	111 Å²	111	117.6 Å²	117.6	68%	0.681	61%	0.609	S	S	*	*			trans	-108.3	66.6	-178.1	48.2	0	0	0	0	113.4	Q1174	Q1174-T1176 HydrophobicContact CG-CG2 3.95Å; Q1174-T1176 PolarHBondContact O-N 2.58Å
1177	S	32	Very low	40.3	Very low	97 Å²	97	110.4 Å²	110.4	68%	0.678	58%	0.579	S	S	*	*			trans	-162.4	76.5	158.6	61.3	0	0	0	0	111.1
1178	L	32.3	Very low	41.7	Very low	77 Å²	77	110.2 Å²	110.2	40%	0.403	57%	0.567	S	S	.	*			trans	-61.1	142.1	160	-90.3	63.6	0	0	0	108.4	C1125 W1270	C1125-L1178 HydrophobicContact CB-CD2 3.77Å; C1125-L1178 HydrophobicContact CB-CG 4.23Å; L1178-W1270 HydrophobicContact CD2-CE3 4.33Å; L1178-W1270 HydrophobicContact CD2-CH2 3.91Å; L1178-W1270 HydrophobicContact CD2-CZ2 4.19Å; L1178-W1270 HydrophobicContact CD2-CZ3 4.01Å
1179	S	38.5	Very low	43.6	Very low	30 Å²	30	104.4 Å²	104.4	21%	0.21	55%	0.545	C	S	.	.			trans	-74.5	168.2	170.7	66.9	0	0	0	0	110.8	A1126 E1181	A1126-S1179 PolarHBondContact O-N 3.14Å; A1126-S1179 PolarHBondContact O-OG 3.42Å; S1179-E1181 PolarHBondContact O-N 3.21Å; S1179-E1181 PolarHBondContact OG-OE2 3.2Å; S1179-E1181 VanDerWaalsContact OG-OE2 3.09Å
1180	N	47.6	Very low	44.9	Very low	172 Å²	172	100.1 Å²	100.1	92%	0.92	52%	0.517	S	S	*	.	S	Bend	trans	-72.6	12.5	176.3	-71.3	-11.6	0	0	0	113.6
1181	E	55.5	Low	46.7	Very low	62 Å²	62	95 Å²	95	29%	0.29	49%	0.488	S	S	.	.			trans	-104.3	81.6	-173.3	-61.5	161.7	137.5	0	0	109.2	C1125 A1126 S1179 W1245 K1248	C1125-E1181 VanDerWaalsContact CA-O 3.28Å; C1125-E1181 WeakPolarHBondContact CA-O 3.41Å; A1126-E1181 HydrophobicContact CB-CB 4.2Å; A1126-E1181 PolarHBondContact N-O 2.91Å; S1179-E1181 PolarHBondContact O-N 3.21Å; S1179-E1181 PolarHBondContact OG-OE2 3.2Å; S1179-E1181 VanDerWaalsContact OG-OE2 3.09Å; E1181-W1245 HydrophobicContact CB-CH2 4.2Å; E1181-K1248 IonicContact OE1-NZ 2.74Å; E1181-K1248 PolarHBondContact OE1-NZ 3.17Å; E1181-K1248 IonicContact OE2-NZ 3.29Å; E1181-K1248 PolarHBondContact OE2-NZ 2.85Å
1182	C	58	Low	48.4	Very low	60 Å²	60	94.9 Å²	94.9	41%	0.405	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.7	179.2	-67	0	0	0	0	112	I1124 C1125	I1124-C1182 CarbonylContact O-C 3.44Å; I1124-C1182 WeakPolarHBondContact O-CA 3.36Å; C1125-C1182 HydrophobicContact CB-CB 4.15Å; C1125-C1182 WeakPolarHBondContact CB-SG 3.47Å; C1125-C1182 WeakPolarHBondContact SG-CB 3.42Å; C1125-C1182 CovalentContact SG-SG 2.04Å; C1125-C1182 PolarHBondContact SG-SG 2.96Å
1183	I	61.9	Low	50.1	Low	51 Å²	51	86.2 Å²	86.2	26%	0.262	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.8	-177.3	-63.8	175.7	0	0	0	109.4	R1123 I1124 I1197 L1199 W1245	R1123-I1183 CarbonylContact C-O 3.56Å; R1123-I1183 WeakPolarHBondContact CA-O 3.47Å; I1124-I1183 PolarHBondContact N-O 3.19Å; I1124-I1183 PolarHBondContact O-N 2.82Å; I1183-I1197 HydrophobicContact CG2-CG2 4.34Å; I1183-L1199 HydrophobicContact CD1-CD2 3.48Å; I1183-L1199 VanDerWaalsContact CD1-CD2 3.48Å; I1183-W1245 HydrophobicContact CD1-CH2 3.92Å; I1183-W1245 HydrophobicContact CD1-CZ2 3.96Å; I1183-W1245 HydrophobicContact CG1-CH2 4.45Å
1184	D	55.9	Low	51.7	Low	75 Å²	75	82.6 Å²	82.6	40%	0.401	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.9	175	-68.8	-11.1	0	0	0	111	I1122 R1123	I1122-D1184 CarbonylContact O-C 3.42Å; I1122-D1184 WeakPolarHBondContact O-CA 3.23Å; R1123-D1184 VanDerWaalsContact CB-OD1 3.23Å; R1123-D1184 WeakPolarHBondContact CB-OD1 3.39Å; R1123-D1184 WeakPolarHBondContact CG-OD1 3.2Å; R1123-D1184 IonicContact CZ-OD1 2.65Å; R1123-D1184 IonicContact CZ-OD2 2.69Å; R1123-D1184 IonicContact NE-OD1 3.19Å; R1123-D1184 PolarHBondContact NE-OD1 2.99Å; R1123-D1184 IonicContact NE-OD2 2.61Å; R1123-D1184 PolarHBondContact NE-OD2 2.8Å; R1123-D1184 IonicContact NH2-OD1 3.74Å; R1123-D1184 PolarHBondContact NH2-OD1 2.89Å; R1123-D1184 IonicContact NH2-OD2 3.27Å; R1123-D1184 PolarHBondContact NH2-OD2 2.84Å
1185	K	63.7	Low	53.6	Low	101 Å²	101	75.5 Å²	75.5	44%	0.439	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	120.6	179.8	-171.5	67.9	-179.6	176.7	0	112.1	I1122 V1187 I1197	I1122-K1185 PolarHBondContact N-O 2.87Å; I1122-K1185 PolarHBondContact O-N 2.81Å; K1185-V1187 HydrophobicContact CG-CG2 4.28Å; K1185-I1197 HydrophobicContact CB-CD1 4.02Å; K1185-I1197 HydrophobicContact CB-CG1 4.4Å; K1185-I1197 HydrophobicContact CG-CD1 4.21Å; K1185-I1197 HydrophobicContact CG-CG1 4.13Å
1186	L	61.4	Low	55.4	Low	82 Å²	82	74.6 Å²	74.6	43%	0.429	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	141.8	166.5	-162.7	75.2	0	0	0	110.3	M1120 L1121 E1188	M1120-L1186 CarbonylContact O-C 3.49Å; M1120-L1186 WeakPolarHBondContact O-CA 3.36Å; M1120-L1186 WeakPolarHBondContact O-CD1 3.25Å; L1121-L1186 HydrophobicContact CB-CD1 4.12Å; L1121-L1186 HydrophobicContact CD1-CB 4.3Å; L1121-L1186 HydrophobicContact CD1-CD1 4.1Å; L1186-E1188 HydrophobicContact CD2-CG 3.94Å; L1186-E1188 HydrophobicContact CG-CG 4.19Å
1187	V	67.2	Low	57.2	Low	22 Å²	22	69.5 Å²	69.5	13%	0.133	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	104.8	-174.8	179.8	0	0	0	0	106.9	M1120 I1122 K1185 N1189 I1195	M1120-V1187 HydrophobicContact CB-CB 4.32Å; M1120-V1187 HydrophobicContact CE-CB 4.01Å; M1120-V1187 HydrophobicContact CE-CG1 3.86Å; M1120-V1187 HydrophobicContact CE-CG2 4.45Å; M1120-V1187 PolarHBondContact N-O 3.35Å; M1120-V1187 PolarHBondContact O-N 2.9Å; I1122-V1187 HydrophobicContact CD1-CG2 4.19Å; I1122-V1187 HydrophobicContact CG1-CG2 4.43Å; K1185-V1187 HydrophobicContact CG-CG2 4.28Å; V1187-N1189 PolarHBondContact O-N 3.07Å; V1187-I1195 HydrophobicContact CG1-CD1 3.9Å; V1187-I1195 HydrophobicContact CG1-CG1 4.34Å; V1187-I1195 HydrophobicContact CG2-CD1 4.16Å; V1187-I1195 HydrophobicContact CG2-CG2 4.27Å
1188	E	56.1	Low	58.2	Low	99 Å²	99	67.2 Å²	67.2	46%	0.463	34%	0.34	S	S	.	.	S	Bend	trans	-91.3	4.9	-164.2	-56.8	-162.4	110.7	0	0	115	K1119 L1186	K1119-E1188 HydrophobicContact CD-CG 4.41Å; K1119-E1188 WeakPolarHBondContact CE-OE1 3.43Å; K1119-E1188 IonicContact NZ-OE1 2.71Å; K1119-E1188 PolarHBondContact NZ-OE1 3.13Å; L1186-E1188 HydrophobicContact CD2-CG 3.94Å; L1186-E1188 HydrophobicContact CG-CG 4.19Å
1189	N	65	Low	59.2	Low	74 Å²	74	64.8 Å²	64.8	40%	0.396	33%	0.327	S	S	.	.			trans	-146.7	83.9	169.9	-64.3	-91.7	0	0	0	109.2	V1187 E1191	V1187-N1189 PolarHBondContact O-N 3.07Å; N1189-E1191 VanDerWaalsContact C-N 3.27Å; N1189-E1191 WeakPolarHBondContact CA-OE1 3.19Å; N1189-E1191 WeakPolarHBondContact CB-OE1 3.23Å; N1189-E1191 PolarHBondContact O-N 3.28Å
1190	P	64.1	Low	59.6	Low	9 Å²	9	65 Å²	65	6%	0.058	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-66.4	-21.8	-176.4	27.7	-35.7	0	0	0	114.4	F1065 W1118 M1120 Q1192 G1193 F1257	F1065-P1190 VanDerWaalsContact CE2-O 3.27Å; F1065-P1190 WeakPolarHBondContact CE2-O 3.29Å; F1065-P1190 VanDerWaalsContact CZ-O 3.24Å; F1065-P1190 WeakPolarHBondContact CZ-O 3.47Å; W1118-P1190 HydrophobicContact CB-CG 3.79Å; W1118-P1190 WeakPolarHBondContact O-CD 3.28Å; M1120-P1190 HydrophobicContact CB-CB 4.15Å; M1120-P1190 HydrophobicContact CE-CB 3.86Å; P1190-Q1192 PolarHBondContact O-N 2.81Å; P1190-G1193 PolarHBondContact O-N 2.86Å; P1190-F1257 HydrophobicContact CB-CE1 4.12Å
1191	E	63.5	Low	59.1	Low	32 Å²	32	64.3 Å²	64.3	15%	0.15	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-71	-0.1	-174.4	56.1	-85.5	93.2	0	0	114.8	P1067 F1071 N1189	P1067-E1191 VanDerWaalsContact CB-O 3.25Å; P1067-E1191 WeakPolarHBondContact CB-O 3.36Å; P1067-E1191 VanDerWaalsContact CG-O 3.32Å; P1067-E1191 WeakPolarHBondContact CG-O 3.39Å; F1071-E1191 HydrophobicContact CE2-CB 3.88Å; F1071-E1191 HydrophobicContact CZ-CB 3.71Å; N1189-E1191 VanDerWaalsContact C-N 3.27Å; N1189-E1191 WeakPolarHBondContact CA-OE1 3.19Å; N1189-E1191 WeakPolarHBondContact CB-OE1 3.23Å; N1189-E1191 PolarHBondContact O-N 3.28Å
1192	Q	63.6	Low	58.1	Low	146 Å²	146	62.7 Å²	62.7	68%	0.682	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-77.8	-15.3	174.3	-62.6	-170.2	-4.2	0	0	114.3	P1190 R1194	P1190-Q1192 PolarHBondContact O-N 2.81Å; Q1192-R1194 PolarHBondContact O-N 3.37Å; Q1192-R1194 VanDerWaalsContact O-N 3.12Å
1193	G	60.6	Low	56.8	Low	9 Å²	9	65.7 Å²	65.7	9%	0.093	31%	0.313	C	S	.	.			trans	68.8	8.9	173.8	0	0	0	0	0	116.9	F1065 P1190	F1065-G1193 PolarHBondContact N-O 2.87Å; F1065-G1193 CarbonylContact O-C 3.59Å; F1065-G1193 VanDerWaalsContact O-C 3.3Å; F1065-G1193 WeakPolarHBondContact O-CA 3.25Å; P1190-G1193 PolarHBondContact O-N 2.86Å
1194	R	60.2	Low	55.6	Low	159 Å²	159	67.4 Å²	67.4	60%	0.6	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.4	125.7	-173.4	172.4	170.8	-67.2	-133.2	0.8	110.5	Y1064 Q1192	Y1064-R1194 HydrophobicContact CD1-CB 4.2Å; Y1064-R1194 HydrophobicContact CD1-CG 3.73Å; Y1064-R1194 HydrophobicContact CE1-CG 3.77Å; Q1192-R1194 PolarHBondContact O-N 3.37Å; Q1192-R1194 VanDerWaalsContact O-N 3.12Å
1195	I	66.2	Low	54.4	Low	14 Å²	14	69.6 Å²	69.6	7%	0.072	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	127.7	-174.9	-56	177.2	0	0	0	108.9	R1062 V1063 F1065 M1120 I1122 V1187 I1197	R1062-I1195 CarbonylContact C-O 3.59Å; R1062-I1195 WeakPolarHBondContact CA-O 3.41Å; V1063-I1195 HydrophobicContact CB-CB 4.44Å; V1063-I1195 PolarHBondContact N-O 2.83Å; V1063-I1195 PolarHBondContact O-N 3.04Å; F1065-I1195 HydrophobicContact CE1-CD1 3.63Å; F1065-I1195 HydrophobicContact CE1-CG1 4.08Å; F1065-I1195 HydrophobicContact CZ-CD1 4.17Å; M1120-I1195 HydrophobicContact CE-CD1 3.28Å; I1122-I1195 HydrophobicContact CD1-CD1 3.51Å; I1122-I1195 HydrophobicContact CD1-CG2 4.37Å; V1187-I1195 HydrophobicContact CG1-CD1 3.9Å; V1187-I1195 HydrophobicContact CG1-CG1 4.34Å; V1187-I1195 HydrophobicContact CG2-CD1 4.16Å; V1187-I1195 HydrophobicContact CG2-CG2 4.27Å; I1195-I1197 HydrophobicContact CG2-CD1 4.09Å; I1195-I1197 HydrophobicContact CG2-CG1 4Å
1196	E	63.2	Low	52.8	Low	84 Å²	84	70.5 Å²	70.5	39%	0.393	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.7	167.9	-57.8	-155.8	176.5	0	0	110.1	R1062	R1062-E1196 HydrophobicContact CB-CG 4.29Å; R1062-E1196 WeakPolarHBondContact CD-OE1 3.26Å; R1062-E1196 HydrophobicContact CG-CB 4.37Å; R1062-E1196 HydrophobicContact CG-CG 3.81Å; R1062-E1196 IonicContact CZ-OE2 3.56Å; R1062-E1196 IonicContact NE-OE1 3.39Å; R1062-E1196 PolarHBondContact NE-OE1 3.11Å; R1062-E1196 IonicContact NE-OE2 3.17Å; R1062-E1196 PolarHBondContact NE-OE2 2.88Å
1197	I	64.6	Low	51.5	Low	5 Å²	5	72 Å²	72	3%	0.026	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	96.6	-176.5	-66.3	168.6	0	0	0	107.5	R1060 I1061 I1124 I1183 K1185 I1195	R1060-I1197 VanDerWaalsContact CA-O 3.3Å; R1060-I1197 WeakPolarHBondContact CA-O 3.18Å; I1061-I1197 PolarHBondContact N-O 3.01Å; I1061-I1197 PolarHBondContact O-N 2.85Å; I1124-I1197 HydrophobicContact CD1-CD1 3.55Å; I1183-I1197 HydrophobicContact CG2-CG2 4.34Å; K1185-I1197 HydrophobicContact CB-CD1 4.02Å; K1185-I1197 HydrophobicContact CB-CG1 4.4Å; K1185-I1197 HydrophobicContact CG-CD1 4.21Å; K1185-I1197 HydrophobicContact CG-CG1 4.13Å; I1195-I1197 HydrophobicContact CG2-CD1 4.09Å; I1195-I1197 HydrophobicContact CG2-CG1 4Å
1198	P	53.9	Low	49.8	Very low	49 Å²	49	78.8 Å²	78.8	32%	0.318	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.3	178.5	31.9	-34.8	0	0	0	112.3	L302 S1059 R1060	L302-P1198 HydrophobicContact CD2-CG 4.16Å; S1059-P1198 WeakPolarHBondContact O-CA 3.03Å; R1060-P1198 HydrophobicContact CB-CB 4.43Å
1199	L	53	Low	48.5	Very low	26 Å²	26	78.3 Å²	78.3	14%	0.136	38%	0.381	C	S	.	.			trans	-111.7	12.6	-160.2	-60.2	173.4	0	0	0	116.5	S1059 I1061 I1183 W1245	S1059-L1199 PolarHBondContact O-N 2.83Å; I1061-L1199 HydrophobicContact CD1-CD2 3.9Å; I1061-L1199 HydrophobicContact CG1-CD1 4.2Å; I1061-L1199 HydrophobicContact CG1-CD2 4.21Å; I1183-L1199 HydrophobicContact CD1-CD2 3.48Å; I1183-L1199 VanDerWaalsContact CD1-CD2 3.48Å; L1199-W1245 HydrophobicContact CD1-CB 4.02Å; L1199-W1245 HydrophobicContact CD1-CD2 3.98Å; L1199-W1245 HydrophobicContact CD1-CG 3.66Å
1200	I	47.6	Very low	47.2	Very low	34 Å²	34	80.2 Å²	80.2	17%	0.174	40%	0.396	C	S	.	.			trans	-141.4	128.5	-169	-44.2	179.3	0	0	0	114.8	L302 R303 K305 Y1242	L302-I1200 CarbonylContact C-O 3.21Å; L302-I1200 WeakPolarHBondContact CA-O 3.47Å; L302-I1200 VanDerWaalsContact CB-O 3.3Å; L302-I1200 WeakPolarHBondContact CB-O 3.3Å; L302-I1200 VanDerWaalsContact CG-O 3.27Å; L302-I1200 WeakPolarHBondContact CG-O 3.44Å; R303-I1200 HydrophobicContact CB-CB 4.4Å; R303-I1200 HydrophobicContact CB-CG2 3.96Å; R303-I1200 PolarHBondContact N-O 2.63Å; K305-I1200 HydrophobicContact CD-CD1 4.36Å; I1200-Y1242 HydrophobicContact CD1-CE1 3.74Å
1201	Y	36.7	Very low	45.4	Very low	158 Å²	158	83.1 Å²	83.1	62%	0.62	42%	0.417	S	S	*	.			trans	-97.3	169.9	-176.8	-76.8	-101.3	0	0	0	115.7	E300	E300-Y1201 HydrophobicContact CG-CD1 4.19Å
1202	S	34.2	Very low	43.9	Very low	27 Å²	27	90.1 Å²	90.1	19%	0.189	45%	0.449	C	S	.	.			trans	-179	156.5	152.7	67.7	0	0	0	0	113.5	E300 K301	E300-S1202 CarbonylContact C-O 3.33Å; E300-S1202 WeakPolarHBondContact CA-O 3.15Å; E300-S1202 VanDerWaalsContact CG-C 3.49Å; E300-S1202 WeakPolarHBondContact CG-O 3.35Å; K301-S1202 CarbonylContact C-O 3.57Å; K301-S1202 VanDerWaalsContact CA-O 3.29Å; K301-S1202 WeakPolarHBondContact CA-O 3.18Å; K301-S1202 WeakPolarHBondContact CB-O 3.37Å; K301-S1202 PolarHBondContact N-O 2.99Å; K301-S1202 CarbonylContact O-C 3.55Å; K301-S1202 PolarHBondContact O-N 3.45Å; K301-S1202 VanDerWaalsContact O-N 3.1Å; K301-S1202 PolarHBondContact O-OG 3.28Å
1203	F	31.5	Very low	42.3	Very low	124 Å²	124	90.4 Å²	90.4	54%	0.544	45%	0.454	S	S	.	.			trans	-98.7	177.8	-178.2	-105.5	-76.5	0	0	0	116.7	T299 E300 K301	T299-F1203 VanDerWaalsContact OG1-CD1 3.3Å; T299-F1203 WeakPolarHBondContact OG1-CD1 3.37Å; T299-F1203 WeakPolarHBondContact OG1-CE1 3.46Å; E300-F1203 HydrophobicContact CB-CD1 3.9Å; E300-F1203 HydrophobicContact CB-CD2 3.75Å; E300-F1203 HydrophobicContact CB-CE1 3.84Å; E300-F1203 HydrophobicContact CB-CE2 3.69Å; E300-F1203 HydrophobicContact CB-CG 3.85Å; E300-F1203 HydrophobicContact CB-CZ 3.74Å; E300-F1203 HydrophobicContact CG-CB 4.35Å; E300-F1203 HydrophobicContact CG-CD1 4.33Å; E300-F1203 HydrophobicContact CG-CD2 3.36Å; E300-F1203 HydrophobicContact CG-CE2 3.62Å; E300-F1203 HydrophobicContact CG-CG 3.75Å; E300-F1203 HydrophobicContact CG-CZ 4.21Å; E300-F1203 WeakPolarHBondContact OE1-CD2 3.24Å; E300-F1203 WeakPolarHBondContact OE2-CE2 3.35Å; K301-F1203 WeakPolarHBondContact CD-O 3.36Å; K301-F1203 PolarHBondContact NZ-O 3.12Å
1204	N	35.2	Very low	40.7	Very low	87 Å²	87	98.8 Å²	98.8	47%	0.465	49%	0.488	S	S	.	.			trans	-158.1	146.4	-171	-147.7	58.8	0	0	0	114.8	T299 K301	T299-N1204 WeakPolarHBondContact CB-O 3.15Å; T299-N1204 HydrophobicContact CG2-CB 4.16Å; T299-N1204 WeakPolarHBondContact CG2-O 3.28Å; K301-N1204 HydrophobicContact CD-CB 4.04Å; K301-N1204 WeakPolarHBondContact CD-OD1 3.29Å; K301-N1204 WeakPolarHBondContact CE-OD1 3.45Å; K301-N1204 PolarHBondContact NZ-OD1 2.69Å
1205	N	30.3	Very low	39.2	Very low	121 Å²	121	96 Å²	96	65%	0.647	49%	0.493	S	S	*	.			trans	169.6	178.9	147.6	-105.7	18.4	0	0	0	112.8	T299	T299-N1205 WeakPolarHBondContact CG2-OD1 3.48Å
1206	T	30.8	Very low	37.4	Very low	119 Å²	119	103.3 Å²	103.3	73%	0.73	53%	0.527	S	S	*	.			trans	-155.7	-175	-173.6	47.3	0	0	0	0	110
1207	L	34	Very low	35.8	Very low	115 Å²	115	105.8 Å²	105.8	60%	0.602	54%	0.543	S	S	*	.			cis	-172.8	114.1	26.8	-157.2	141.7	0	0	0	115.8
1208	Y	30.9	Very low	34.1	Very low	163 Å²	163	115.1 Å²	115.1	64%	0.639	58%	0.583	S	S	*	*			trans	65.8	171.9	162.4	-76.4	-100.7	0	0	0	119.7
1209	N	29.3	Very low	32.9	Very low	89 Å²	89	117 Å²	117	48%	0.476	60%	0.597	S	S	.	*			cis	-131.3	179.5	6.1	-100.8	-59.8	0	0	0	115.1	E1840	N1209-E1840 HydrophobicContact CB-CB 4.1Å; N1209-E1840 WeakPolarHBondContact CB-OE2 3.14Å; N1209-E1840 PolarHBondContact ND2-OE2 3.49Å
1210	T	37.6	Very low	31.9	Very low	115 Å²	115	121.4 Å²	121.4	71%	0.706	62%	0.621	S	S	*	*			trans	-117.3	159.9	-175.1	53.3	0	0	0	0	115.4
1211	S	26.3	Very low	31	Very low	70 Å²	70	127.4 Å²	127.4	49%	0.49	65%	0.649	S	S	.	*			trans	-153	161.8	136.5	88.5	0	0	0	0	108.3
1212	H	31.7	Very low	30.5	Very low	179 Å²	179	125.2 Å²	125.2	83%	0.829	65%	0.652	S	S	*	*			cis	-144.5	178.2	12.3	-149.3	-90.1	0	0	0	111.5
1213	L	31.4	Very low	30.2	Very low	152 Å²	152	129.7 Å²	129.7	80%	0.796	68%	0.678	S	S	*	*			trans	-121.7	159.7	-163.2	-113.2	164	0	0	0	116.1
1214	K	25.9	Very low	30	Very low	185 Å²	185	131 Å²	131	80%	0.804	69%	0.686	S	S	*	*			trans	115.5	126.6	165	-69.2	173.6	-178.8	177.6	0	114.6
1215	S	28.4	Very low	29.7	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	69%	0.694	S	S	*	*				73.5	142.2	59.7	85.6	0	0	0	0	113.4
1216	E	29.2	Very low	29.6	Very low	167 Å²	167	133.4 Å²	133.4	78%	0.78	70%	0.697	S	S	*	*			cis	-165.4	152.4	22.9	-160.1	175	-152.8	0	0	114.9
1217	N	30.1	Very low	29.4	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	70%	0.698	S	S	*	*			trans	14.5	138.2	157.3	-62	-35.4	0	0	0	125.3
1218	K	27.5	Very low	29.2	Very low	200 Å²	200	136.8 Å²	136.8	87%	0.87	71%	0.711	S	S	*	*				166.2	156.6	123.2	-93	163.4	-178	173.1	0	113.1
1219	S	29.8	Very low	28.9	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	72%	0.723	S	S	*	*			cis	-174.5	178.8	-28.8	52.5	0	0	0	0	110.8
1220	N	31	Very low	28.8	Very low	119 Å²	119	137.4 Å²	137.4	64%	0.636	73%	0.731	S	S	*	*			trans	82.6	110.3	169.7	-56.5	72.2	0	0	0	116.2
1221	E	30.2	Very low	28.4	Very low	160 Å²	160	137.4 Å²	137.4	75%	0.748	73%	0.727	S	S	*	*				89	138.7	75.3	-78.2	174	153.4	0	0	113.2
1222	T	26.1	Very low	28.5	Very low	112 Å²	112	137.8 Å²	137.8	69%	0.687	72%	0.723	S	S	*	*			cis	-168.9	152.2	4.2	23.3	0	0	0	0	112.2
1223	V	28	Very low	28.3	Very low	122 Å²	122	133 Å²	133	74%	0.739	71%	0.707	S	S	*	*			trans	65.3	137	141	167.4	0	0	0	0	119.5
1224	E	27.3	Very low	28.3	Very low	152 Å²	152	127.4 Å²	127.4	71%	0.71	68%	0.679	S	S	*	*			cis	-164.3	154	-7.1	-110.1	-177.3	160.2	0	0	112.6
1225	I	28.7	Very low	28.5	Very low	126 Å²	126	118.8 Å²	118.8	65%	0.646	64%	0.642	S	S	*	*			trans	50.7	113.9	140.8	-60.5	167.5	0	0	0	118.4
1226	N	27.7	Very low	28.9	Very low	132 Å²	132	114.1 Å²	114.1	71%	0.706	61%	0.609	S	S	*	*				-179.6	147.1	62.3	-135	-19.7	0	0	0	114.3
1227	N	26.8	Very low	29	Very low	140 Å²	140	106.2 Å²	106.2	75%	0.749	57%	0.572	S	S	*	*			trans	66.7	149.7	160.7	-72	-33.7	0	0	0	122.4
1228	L	28.3	Very low	29.2	Very low	165 Å²	165	99.8 Å²	99.8	86%	0.864	54%	0.538	S	S	*	.			trans	67.4	99.8	-178.6	-77.3	103.3	0	0	0	118.4
1229	L	25.8	Very low	29.6	Very low	170 Å²	170	91 Å²	91	89%	0.89	50%	0.5	S	S	*	.				13.4	148	128.2	-77.4	154.4	0	0	0	120.8
1230	S	26.2	Very low	29.7	Very low	94 Å²	94	88.1 Å²	88.1	66%	0.657	48%	0.484	S	S	*	.			trans	111.2	119.1	162	-85.6	0	0	0	0	118.1
1231	D	29.8	Very low	30.1	Very low	116 Å²	116	87.3 Å²	87.3	62%	0.62	48%	0.479	S	S	*	.			trans	77.1	141.5	135	-51.7	12.5	0	0	0	118.1	Y111	Y111-D1231 WeakPolarHBondContact OH-CA 3.35Å; Y111-D1231 WeakPolarHBondContact OH-CB 3.22Å; Y111-D1231 PolarHBondContact OH-OD1 3.27Å; Y111-D1231 VanDerWaalsContact OH-OD1 3.13Å; Y111-D1231 PolarHBondContact OH-OD2 3.11Å
1232	D	27.9	Very low	30.6	Very low	77 Å²	77	84.2 Å²	84.2	41%	0.412	46%	0.461	S	S	.	.			cis	-165.8	136.9	18.7	-136.3	83.1	0	0	0	113.9	Y111	Y111-D1232 HydrophobicContact CD1-CB 4.44Å; Y111-D1232 HydrophobicContact CE1-CB 3.9Å; Y111-D1232 WeakPolarHBondContact CE1-OD1 3.22Å; Y111-D1232 VanDerWaalsContact CE1-OD2 3.27Å; Y111-D1232 WeakPolarHBondContact CE1-OD2 3.46Å; Y111-D1232 PolarHBondContact OH-OD1 2.83Å
1233	T	27.8	Very low	31.5	Very low	79 Å²	79	82.2 Å²	82.2	49%	0.485	45%	0.449	S	S	.	.			trans	154.3	140.5	164.4	30.3	0	0	0	0	118.4	Y111	Y111-T1233 WeakPolarHBondContact CB-O 3.07Å; Y111-T1233 CarbonylContact O-C 3.59Å; Y111-T1233 VanDerWaalsContact O-C 3.28Å
1234	T	30.9	Very low	32.5	Very low	35 Å²	35	79.7 Å²	79.7	22%	0.215	43%	0.429	C	S	.	.			cis	-142.1	163.9	14.9	54.7	0	0	0	0	120.1	Y111 Q114 L117	Y111-T1234 CarbonylContact C-O 3.41Å; Y111-T1234 CarbonylContact O-C 3.52Å; Y111-T1234 WeakPolarHBondContact O-CA 3.35Å; Y111-T1234 PolarHBondContact O-N 2.85Å; Q114-T1234 HydrophobicContact CB-CG2 3.95Å; Q114-T1234 VanDerWaalsContact N-CA 3.27Å; L117-T1234 PolarHBondContact O-OG1 2.61Å
1235	T	31.2	Very low	34	Very low	3 Å²	3	73.7 Å²	73.7	2%	0.018	40%	0.399	C	S	.	.			trans	-78.9	-161.3	-157.4	94.2	0	0	0	0	119.9	L103 C112 A113 Q114 D115 C116 L117	L103-T1235 HydrophobicContact CB-CG2 4.12Å; C112-T1235 VanDerWaalsContact C-CB 3.48Å; C112-T1235 WeakPolarHBondContact O-CA 3.17Å; C112-T1235 WeakPolarHBondContact O-CB 3.19Å; C112-T1235 WeakPolarHBondContact O-CG2 3.37Å; A113-T1235 VanDerWaalsContact CA-CG2 3.48Å; A113-T1235 VanDerWaalsContact N-N 3.18Å; A113-T1235 WeakPolarHBondContact O-CG2 3.5Å; Q114-T1235 PolarHBondContact O-N 3.09Å; D115-T1235 WeakPolarHBondContact CA-OG1 3.34Å; D115-T1235 VanDerWaalsContact N-CG2 3.33Å; D115-T1235 PolarHBondContact N-OG1 3.03Å; C116-T1235 CarbonylContact C-O 3.4Å; C116-T1235 PolarHBondContact N-OG1 2.81Å; L117-T1235 PolarHBondContact N-O 3.28Å
1236	D	36.1	Very low	34.9	Very low	4 Å²	4	70.8 Å²	70.8	2%	0.021	39%	0.391	C	S	.	.				-169.6	-177.6	-114.9	-179.5	29.7	0	0	0	114.3	L103 C105 C112 C116 Y161 W174	L103-D1236 HydrophobicContact CD2-CB 4.04Å; L103-D1236 WeakPolarHBondContact CD2-OD2 3.4Å; L103-D1236 HydrophobicContact CG-CB 4.37Å; L103-D1236 WeakPolarHBondContact CG-OD2 3.41Å; C105-D1236 PolarHBondContact SG-OD2 3.32Å; C112-D1236 HydrophobicContact CB-CB 3.5Å; C112-D1236 VanDerWaalsContact CB-CB 3.5Å; C112-D1236 WeakPolarHBondContact CB-OD2 3.23Å; C112-D1236 VanDerWaalsContact SG-CB 3.6Å; C112-D1236 PolarHBondContact SG-OD2 3.03Å; C112-D1236 VanDerWaalsContact SG-OD2 3.42Å; C116-D1236 VanDerWaalsContact CA-N 3.31Å; C116-D1236 PolarHBondContact SG-O 3.21Å; Y161-D1236 WeakPolarHBondContact CD1-O 3.4Å; W174-D1236 WeakPolarHBondContact CH2-OD1 3.18Å; W174-D1236 VanDerWaalsContact CZ3-CG 3.47Å; W174-D1236 WeakPolarHBondContact CZ3-OD1 3.29Å; W174-D1236 WeakPolarHBondContact CZ3-OD2 3.16Å
1237	A	31.6	Very low	35.8	Very low	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.393	C	S	.	.			trans	-151.9	161.7	-153.8	0	0	0	0	0	119	C127 T128 Y161 K162 L163 W174	C127-A1237 HydrophobicContact CB-CB 3.66Å; T128-A1237 WeakPolarHBondContact O-CB 3.37Å; Y161-A1237 HydrophobicContact CD1-CB 4.24Å; K162-A1237 VanDerWaalsContact C-CB 3.46Å; L163-A1237 VanDerWaalsContact CD1-C 3.43Å; L163-A1237 WeakPolarHBondContact CD1-O 3.01Å; W174-A1237 WeakPolarHBondContact CH2-O 3.29Å; W174-A1237 WeakPolarHBondContact CZ3-O 3.23Å
1238	A	35.3	Very low	37	Very low	1 Å²	1	66.6 Å²	66.6	1%	0.008	36%	0.362	C	S	.	.			trans	-168.4	123.2	164.6	0	0	0	0	0	120.8	W55 K73 I74 F75 Y161 K162 L163	W55-A1238 HydrophobicContact CZ3-CB 3.98Å; K73-A1238 CarbonylContact O-C 3.36Å; K73-A1238 WeakPolarHBondContact O-CA 3.37Å; K73-A1238 VanDerWaalsContact O-CB 3.24Å; K73-A1238 WeakPolarHBondContact O-CB 3.43Å; I74-A1238 WeakPolarHBondContact CA-O 3.41Å; I74-A1238 WeakPolarHBondContact CG1-O 3.35Å; F75-A1238 HydrophobicContact CB-CB 3.34Å; Y161-A1238 CarbonylContact C-O 3.59Å; Y161-A1238 CarbonylContact O-C 3.53Å; Y161-A1238 PolarHBondContact O-N 2.04Å; K162-A1238 VanDerWaalsContact CA-C 3.49Å; K162-A1238 WeakPolarHBondContact CA-O 3.25Å; L163-A1238 VanDerWaalsContact N-C 3.26Å
1239	Q	35.6	Very low	38.1	Very low	15 Å²	15	62.9 Å²	62.9	7%	0.07	34%	0.34	C	S	.	.			trans	-107	148.3	-170.2	-3.9	74.8	-61.3	0	0	122.6	E71 S72 K73 I74 K162 L163 D164	E71-Q1239 PolarHBondContact O-NE2 3.03Å; S72-Q1239 CarbonylContact C-O 3.55Å; S72-Q1239 VanDerWaalsContact C-O 3.3Å; S72-Q1239 WeakPolarHBondContact CB-O 3.46Å; K73-Q1239 VanDerWaalsContact C-C 3.44Å; K73-Q1239 VanDerWaalsContact C-N 3.33Å; K73-Q1239 CarbonylContact C-O 3.6Å; K73-Q1239 WeakPolarHBondContact CA-O 3.28Å; K73-Q1239 PolarHBondContact N-O 3.31Å; K73-Q1239 PolarHBondContact O-N 2.81Å; I74-Q1239 VanDerWaalsContact N-C 3.35Å; I74-Q1239 PolarHBondContact N-O 2.89Å; K162-Q1239 HydrophobicContact CG-CB 4.04Å; K162-Q1239 HydrophobicContact CG-CG 4.37Å; L163-Q1239 HydrophobicContact CB-CG 3.66Å; L163-Q1239 VanDerWaalsContact CB-OE1 3.24Å; L163-Q1239 WeakPolarHBondContact O-CG 2.99Å; D164-Q1239 PolarHBondContact O-NE2 3.24Å; D164-Q1239 VanDerWaalsContact O-NE2 3.09Å
1240	G	31.7	Very low	39.6	Very low	28 Å²	28	57.7 Å²	57.7	29%	0.289	31%	0.31	S	S	.	.			trans	-78.1	-173.3	-167.6	0	0	0	0	0	122.1
1241	I	38.1	Very low	41.5	Very low	102 Å²	102	53.2 Å²	53.2	52%	0.523	28%	0.279	S	S	.	.			trans	-67.7	151.1	-155.1	-52.7	174.9	0	0	0	117.8	D56 T58	D56-I1241 WeakPolarHBondContact OD2-CG1 3.39Å; T58-I1241 HydrophobicContact CG2-CD1 3.61Å
1242	Y	41.9	Very low	43.3	Very low	95 Å²	95	47.8 Å²	47.8	37%	0.373	25%	0.25	S	S	.	.			trans	-121.2	155.3	173.8	-111.7	-89.9	0	0	0	113.3	K305 I1200	K305-Y1242 HydrophobicContact CD-CE1 4.27Å; K305-Y1242 WeakPolarHBondContact CE-OH 3.49Å; K305-Y1242 VanDerWaalsContact NZ-CE1 3.34Å; I1200-Y1242 HydrophobicContact CD1-CE1 3.74Å
1243	V	44.7	Very low	45.3	Very low	70 Å²	70	44.1 Å²	44.1	42%	0.424	23%	0.231	S	C	.	.			trans	-116.9	130.9	166.4	176.1	0	0	0	0	109.6
1244	H	49.3	Very low	47.3	Very low	69 Å²	69	41.4 Å²	41.4	32%	0.319	21%	0.212	S	C	.	.			trans	-92.4	110.6	176.7	-94.1	-93.7	0	0	0	111.4	D1058 E1247	D1058-H1244 VanDerWaalsContact OD1-C 3.3Å; D1058-H1244 VanDerWaalsContact OD1-CA 3.25Å; D1058-H1244 WeakPolarHBondContact OD1-CA 3.03Å; D1058-H1244 WeakPolarHBondContact OD1-CB 3.22Å; D1058-H1244 IonicContact OD1-CE1 3.85Å; D1058-H1244 IonicContact OD1-CG 3.96Å; D1058-H1244 IonicContact OD1-ND1 3.9Å; D1058-H1244 PolarHBondContact OD1-ND1 3.01Å; D1058-H1244 IonicContact OD2-CE1 2.78Å; D1058-H1244 PolarHBondContact OD2-CE1 2.82Å; D1058-H1244 IonicContact OD2-ND1 3.91Å; D1058-H1244 PolarHBondContact OD2-ND1 2.77Å; H1244-E1247 HydrophobicContact CB-CG 4.28Å
1245	W	57.7	Low	49	Very low	26 Å²	26	39.8 Å²	39.8	10%	0.098	20%	0.202	C	C	.	.	S	Bend	trans	-85.8	-9.4	178.7	-68.8	77.9	0	0	0	112.9	H1056 D1058 I1061 A1126 E1181 I1183 L1199 L1251	H1056-W1245 PolarHBondContact CE1-O 2.84Å; H1056-W1245 PolarHBondContact ND1-O 2.82Å; D1058-W1245 PolarHBondContact OD1-N 2.82Å; I1061-W1245 HydrophobicContact CD1-CE3 4.47Å; A1126-W1245 HydrophobicContact CB-CE3 4.39Å; A1126-W1245 HydrophobicContact CB-CH2 4.48Å; A1126-W1245 HydrophobicContact CB-CZ3 3.88Å; E1181-W1245 HydrophobicContact CB-CH2 4.2Å; I1183-W1245 HydrophobicContact CD1-CH2 3.92Å; I1183-W1245 HydrophobicContact CD1-CZ2 3.96Å; I1183-W1245 HydrophobicContact CG1-CH2 4.45Å; L1199-W1245 HydrophobicContact CD1-CB 4.02Å; L1199-W1245 HydrophobicContact CD1-CD2 3.98Å; L1199-W1245 HydrophobicContact CD1-CG 3.66Å; W1245-L1251 HydrophobicContact CE3-CD2 3.96Å; W1245-L1251 HydrophobicContact CZ3-CD2 4.17Å
1246	S	48.7	Very low	50.4	Low	66 Å²	66	42.8 Å²	42.8	46%	0.462	21%	0.213	S	C	.	.	S	Bend	trans	-79.8	-20	173	73.5	0	0	0	0	113.9	D1058 K1248	D1058-S1246 WeakPolarHBondContact OD1-CB 3.46Å; D1058-S1246 PolarHBondContact OD1-N 2.83Å; D1058-S1246 PolarHBondContact OD1-OG 2.65Å; D1058-S1246 PolarHBondContact OD2-OG 2.78Å; S1246-K1248 VanDerWaalsContact C-N 3.31Å
1247	E	46.4	Very low	51.6	Low	161 Å²	161	43 Å²	43	75%	0.752	21%	0.214	S	C	*	.	S	Bend	trans	-84.9	-6.8	177.3	-62.3	-169.5	149.8	0	0	112.6	H1244 E1249	H1244-E1247 HydrophobicContact CB-CG 4.28Å; E1247-E1249 PolarHBondContact O-N 2.88Å
1248	K	52.7	Low	52.8	Low	23 Å²	23	45.8 Å²	45.8	10%	0.1	23%	0.225	C	C	.	.			trans	-82.5	98.4	173.8	-55.9	-70	-179	153.8	0	108.8	H1056 A1126 N1128 E1181 S1246 K1250 L1251	H1056-K1248 PolarHBondContact CE1-O 2.8Å; H1056-K1248 VanDerWaalsContact CE1-O 3.29Å; A1126-K1248 HydrophobicContact CB-CD 4.09Å; A1126-K1248 HydrophobicContact CB-CG 4.24Å; N1128-K1248 WeakPolarHBondContact OD1-CD 3.2Å; N1128-K1248 PolarHBondContact OD1-NZ 2.88Å; E1181-K1248 IonicContact OE1-NZ 2.74Å; E1181-K1248 PolarHBondContact OE1-NZ 3.17Å; E1181-K1248 IonicContact OE2-NZ 3.29Å; E1181-K1248 PolarHBondContact OE2-NZ 2.85Å; S1246-K1248 VanDerWaalsContact C-N 3.31Å; K1248-K1250 PolarHBondContact O-N 2.84Å; K1248-L1251 HydrophobicContact CB-CD2 4.29Å
1249	E	49.8	Very low	53.7	Low	87 Å²	87	48 Å²	48	41%	0.407	24%	0.237	S	C	.	.	S	Bend	trans	-58.3	-16.5	-176	-72.3	-161.2	175.7	0	0	115.7	R1131 E1247	R1131-E1249 WeakPolarHBondContact CB-OE1 3.49Å; R1131-E1249 IonicContact CZ-OE1 2.7Å; R1131-E1249 IonicContact CZ-OE2 3.52Å; R1131-E1249 VanDerWaalsContact CZ-OE2 3.32Å; R1131-E1249 VanDerWaalsContact NE-CD 3.31Å; R1131-E1249 IonicContact NE-OE1 2.72Å; R1131-E1249 PolarHBondContact NE-OE1 2.79Å; R1131-E1249 IonicContact NE-OE2 3.33Å; R1131-E1249 PolarHBondContact NE-OE2 2.65Å; R1131-E1249 IonicContact NH2-OE1 2.65Å; R1131-E1249 PolarHBondContact NH2-OE1 2.91Å; R1131-E1249 IonicContact NH2-OE2 3.49Å; R1131-E1249 PolarHBondContact NH2-OE2 3.08Å; E1247-E1249 PolarHBondContact O-N 2.88Å
1250	K	57.4	Low	54.3	Low	61 Å²	61	53.3 Å²	53.3	27%	0.265	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.1	176.8	-83.4	175.4	166.6	-80.7	0	111.7	S1127 K1248 E1273	S1127-K1250 WeakPolarHBondContact CB-O 3.47Å; S1127-K1250 PolarHBondContact N-O 2.86Å; K1248-K1250 PolarHBondContact O-N 2.84Å; K1250-E1273 PolarHBondContact NZ-O 3.38Å
1251	L	66.7	Low	55	Low	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	156.3	161.8	-58.5	-174.2	0	0	0	110.6	H1056 I1061 I1124 A1126 W1245 K1248 Y1253 E1273	H1056-L1251 HydrophobicContact CB-CD1 3.58Å; H1056-L1251 VanDerWaalsContact CG-CD1 3.48Å; I1061-L1251 HydrophobicContact CD1-CD1 3.75Å; I1061-L1251 HydrophobicContact CG1-CD1 3.83Å; I1061-L1251 HydrophobicContact CG2-CD1 4.25Å; I1124-L1251 HydrophobicContact CG2-CB 4.47Å; A1126-L1251 HydrophobicContact CB-CD2 4.08Å; W1245-L1251 HydrophobicContact CE3-CD2 3.96Å; W1245-L1251 HydrophobicContact CZ3-CD2 4.17Å; K1248-L1251 HydrophobicContact CB-CD2 4.29Å; L1251-Y1253 HydrophobicContact CB-CE2 3.7Å; L1251-E1273 PolarHBondContact O-N 2.77Å
1252	T	68.3	Low	55	Low	2 Å²	2	53.9 Å²	53.9	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.8	178.7	78.8	0	0	0	0	111.5	I1124 C1125 V1271 D1272	I1124-T1252 CarbonylContact C-O 3.47Å; I1124-T1252 VanDerWaalsContact CA-O 3.28Å; I1124-T1252 WeakPolarHBondContact CA-O 3Å; I1124-T1252 WeakPolarHBondContact CG2-O 3.39Å; C1125-T1252 PolarHBondContact N-O 3.21Å; C1125-T1252 PolarHBondContact O-N 3.45Å; T1252-V1271 CarbonylContact C-O 3.48Å; T1252-V1271 VanDerWaalsContact CA-O 3.22Å; T1252-V1271 WeakPolarHBondContact CA-O 3.25Å; T1252-D1272 WeakPolarHBondContact CG2-OD1 3.48Å
1253	Y	68.6	Low	54.9	Low	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.8	-165.6	-58.4	-103.3	0	0	0	112.5	F1054 I1061 V1063 R1123 I1124 L1251 W1270 V1271 E1273	F1054-Y1253 HydrophobicContact CB-CE2 4.27Å; F1054-Y1253 AromaticContact CD1-CD1 3.63Å; F1054-Y1253 HydrophobicContact CD1-CD1 3.63Å; F1054-Y1253 AromaticContact CD1-CD2 3.77Å; F1054-Y1253 HydrophobicContact CD1-CD2 3.77Å; F1054-Y1253 AromaticContact CD1-CE1 3.35Å; F1054-Y1253 HydrophobicContact CD1-CE1 3.35Å; F1054-Y1253 AromaticContact CD1-CE2 3.52Å; F1054-Y1253 HydrophobicContact CD1-CE2 3.52Å; F1054-Y1253 AromaticContact CD1-CG 3.85Å; F1054-Y1253 HydrophobicContact CD1-CG 3.85Å; F1054-Y1253 AromaticContact CD1-CZ 3.29Å; F1054-Y1253 AromaticContact CE1-CD1 3.4Å; F1054-Y1253 HydrophobicContact CE1-CD1 3.4Å; F1054-Y1253 VanDerWaalsContact CE1-CD1 3.4Å; F1054-Y1253 AromaticContact CE1-CD2 3.72Å; F1054-Y1253 HydrophobicContact CE1-CD2 3.72Å; F1054-Y1253 AromaticContact CE1-CE1 3.67Å; F1054-Y1253 HydrophobicContact CE1-CE1 3.67Å; F1054-Y1253 AromaticContact CE1-CE2 3.99Å; F1054-Y1253 HydrophobicContact CE1-CE2 3.99Å; F1054-Y1253 AromaticContact CE1-CG 3.44Å; F1054-Y1253 HydrophobicContact CE1-CG 3.44Å; F1054-Y1253 VanDerWaalsContact CE1-CG 3.44Å; F1054-Y1253 AromaticContact CE1-CZ 3.96Å; F1054-Y1253 HydrophobicContact CG-CD2 4.37Å; F1054-Y1253 HydrophobicContact CG-CE1 4.44Å; F1054-Y1253 AromaticContact CG-CE2 3.95Å; F1054-Y1253 HydrophobicContact CG-CE2 3.95Å; F1054-Y1253 AromaticContact CG-CZ 3.98Å; F1054-Y1253 HydrophobicContact CZ-CD1 4.5Å; F1054-Y1253 HydrophobicContact CZ-CD2 4.32Å; F1054-Y1253 HydrophobicContact CZ-CG 4.18Å; I1061-Y1253 HydrophobicContact CG2-CE1 3.63Å; I1061-Y1253 WeakPolarHBondContact CG2-OH 3.29Å; V1063-Y1253 HydrophobicContact CG2-CD1 4.41Å; V1063-Y1253 HydrophobicContact CG2-CE1 4.15Å; R1123-Y1253 CarbonylContact O-C 3.47Å; R1123-Y1253 WeakPolarHBondContact O-CA 3.23Å; I1124-Y1253 HydrophobicContact CB-CD1 4.18Å; I1124-Y1253 HydrophobicContact CB-CE1 4.4Å; I1124-Y1253 HydrophobicContact CD1-CD1 3.83Å; I1124-Y1253 HydrophobicContact CD1-CE1 3.74Å; I1124-Y1253 HydrophobicContact CG1-CD1 3.65Å; I1124-Y1253 HydrophobicContact CG1-CE1 4.01Å; I1124-Y1253 HydrophobicContact CG2-CD1 3.62Å; I1124-Y1253 HydrophobicContact CG2-CE1 3.53Å; I1124-Y1253 HydrophobicContact CG2-CG 4.17Å; L1251-Y1253 HydrophobicContact CB-CE2 3.7Å; Y1253-W1270 CarbonylContact O-C 3.36Å; Y1253-W1270 WeakPolarHBondContact O-CA 3.47Å; Y1253-V1271 PolarHBondContact N-O 3.13Å; Y1253-V1271 PolarHBondContact O-N 3.15Å; Y1253-E1273 HydrophobicContact CE2-CG 4.01Å; Y1253-E1273 VanDerWaalsContact CE2-OE1 3.31Å; Y1253-E1273 WeakPolarHBondContact CE2-OE1 3.43Å; Y1253-E1273 PolarHBondContact OH-OE1 2.81Å
1254	Q	69.6	Low	55	Low	22 Å²	22	49.9 Å²	49.9	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.4	169.3	165.3	163.7	97.8	0	0	110.4	I1122 R1123 T1268 W1270	I1122-Q1254 CarbonylContact C-O 3.59Å; I1122-Q1254 WeakPolarHBondContact CA-O 3.37Å; R1123-Q1254 HydrophobicContact CB-CB 4.48Å; R1123-Q1254 PolarHBondContact N-O 2.79Å; R1123-Q1254 PolarHBondContact O-N 3.13Å; Q1254-T1268 WeakPolarHBondContact CA-OG1 3.36Å; Q1254-T1268 PolarHBondContact NE2-O 2.86Å; Q1254-W1270 HydrophobicContact CB-CD2 4.15Å; Q1254-W1270 HydrophobicContact CB-CE3 4.13Å; Q1254-W1270 HydrophobicContact CB-CZ3 4.39Å
1255	F	68.3	Low	55.2	Low	1 Å²	1	48.5 Å²	48.5	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.4	-179.9	-53.6	-111.1	0	0	0	110.7	M1052 F1054 V1063 M1120 L1121 I1122 F1257 A1267 T1268	M1052-F1255 HydrophobicContact CE-CD1 4.19Å; M1052-F1255 HydrophobicContact CE-CE1 3.67Å; M1052-F1255 HydrophobicContact CE-CE2 4.48Å; M1052-F1255 HydrophobicContact CE-CZ 3.84Å; M1052-F1255 HydrophobicContact SD-CE1 3.97Å; M1052-F1255 HydrophobicContact SD-CE2 3.8Å; M1052-F1255 HydrophobicContact SD-CZ 3.47Å; M1052-F1255 WeakPolarHBondContact SD-CZ 3.22Å; F1054-F1255 HydrophobicContact CE1-CE2 4.2Å; F1054-F1255 AromaticContact CE1-CZ 3.75Å; F1054-F1255 HydrophobicContact CE1-CZ 3.75Å; F1054-F1255 AromaticContact CZ-CE2 3.97Å; F1054-F1255 HydrophobicContact CZ-CE2 3.97Å; F1054-F1255 AromaticContact CZ-CZ 3.8Å; F1054-F1255 HydrophobicContact CZ-CZ 3.8Å; V1063-F1255 HydrophobicContact CG1-CE1 4.1Å; V1063-F1255 HydrophobicContact CG1-CZ 3.93Å; M1120-F1255 HydrophobicContact SD-CB 4.49Å; M1120-F1255 HydrophobicContact SD-CD1 3.73Å; L1121-F1255 CarbonylContact O-C 3.53Å; L1121-F1255 WeakPolarHBondContact O-CA 3.42Å; I1122-F1255 HydrophobicContact CB-CD1 4.47Å; I1122-F1255 HydrophobicContact CD1-CD1 3.72Å; I1122-F1255 HydrophobicContact CD1-CE1 3.6Å; I1122-F1255 HydrophobicContact CG1-CD1 3.63Å; I1122-F1255 HydrophobicContact CG1-CE1 4Å; I1122-F1255 HydrophobicContact CG1-CG 4.46Å; I1122-F1255 HydrophobicContact CG2-CD1 4.22Å; I1122-F1255 HydrophobicContact CG2-CE1 4.16Å; F1255-F1257 HydrophobicContact CB-CE2 3.83Å; F1255-F1257 HydrophobicContact CB-CZ 4.25Å; F1255-A1267 CarbonylContact O-C 3.57Å; F1255-A1267 VanDerWaalsContact O-CA 3.29Å; F1255-A1267 WeakPolarHBondContact O-CA 3.38Å; F1255-T1268 HydrophobicContact CB-CG2 3.81Å; F1255-T1268 HydrophobicContact CD2-CG2 3.9Å; F1255-T1268 HydrophobicContact CG-CG2 4.22Å; F1255-T1268 PolarHBondContact N-OG1 2.84Å; F1255-T1268 PolarHBondContact O-N 2.85Å
1256	R	59.3	Low	55.2	Low	66 Å²	66	51.4 Å²	51.4	25%	0.249	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.4	178.3	-64	-176	-172.9	-159.1	-1.7	110.1	M1120 L1121 Y1258 L1264 Y1266 A1267	M1120-R1256 CarbonylContact C-O 3.52Å; M1120-R1256 VanDerWaalsContact CA-O 3.22Å; M1120-R1256 WeakPolarHBondContact CA-O 3.46Å; L1121-R1256 HydrophobicContact CB-CB 4.36Å; L1121-R1256 PolarHBondContact N-O 2.65Å; L1121-R1256 PolarHBondContact O-N 3.4Å; R1256-Y1258 HydrophobicContact CB-CE2 3.98Å; R1256-L1264 HydrophobicContact CB-CD1 3.79Å; R1256-L1264 HydrophobicContact CG-CD1 4.4Å; R1256-Y1266 CarbonylContact C-O 3.41Å; R1256-Y1266 WeakPolarHBondContact CA-O 3.31Å; R1256-A1267 HydrophobicContact CG-CB 4.1Å
1257	F	62.3	Low	55.5	Low	7 Å²	7	49 Å²	49	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.8	-173.2	-60.4	-97.6	0	0	0	111.4	I1047 F1070 K1119 M1120 P1190 F1255 V1265 Y1266	I1047-F1257 HydrophobicContact CD1-CE2 3.64Å; I1047-F1257 HydrophobicContact CD1-CZ 3.6Å; F1070-F1257 HydrophobicContact CD1-CE1 4.35Å; F1070-F1257 AromaticContact CE1-CE1 3.61Å; F1070-F1257 HydrophobicContact CE1-CE1 3.61Å; F1070-F1257 AromaticContact CE1-CZ 3.59Å; F1070-F1257 HydrophobicContact CE1-CZ 3.59Å; F1070-F1257 HydrophobicContact CZ-CZ 4.28Å; K1119-F1257 CarbonylContact O-C 3.57Å; K1119-F1257 WeakPolarHBondContact O-CA 3.48Å; M1120-F1257 HydrophobicContact CB-CD1 3.88Å; M1120-F1257 HydrophobicContact CB-CE1 3.82Å; M1120-F1257 HydrophobicContact CE-CE1 4.35Å; M1120-F1257 HydrophobicContact CG-CD1 4.11Å; M1120-F1257 HydrophobicContact CG-CE1 3.7Å; M1120-F1257 HydrophobicContact CG-CZ 3.91Å; M1120-F1257 HydrophobicContact SD-CD1 4.22Å; M1120-F1257 HydrophobicContact SD-CE1 3.24Å; M1120-F1257 WeakPolarHBondContact SD-CE1 3.48Å; M1120-F1257 HydrophobicContact SD-CE2 4.17Å; M1120-F1257 HydrophobicContact SD-CZ 3.19Å; M1120-F1257 WeakPolarHBondContact SD-CZ 3.28Å; P1190-F1257 HydrophobicContact CB-CE1 4.12Å; F1255-F1257 HydrophobicContact CB-CE2 3.83Å; F1255-F1257 HydrophobicContact CB-CZ 4.25Å; F1257-V1265 PolarHBondContact O-N 2.71Å; F1257-Y1266 HydrophobicContact CB-CD2 4.39Å; F1257-Y1266 PolarHBondContact N-O 3.21Å; F1257-Y1266 PolarHBondContact O-N 3.44Å
1258	Y	56.4	Low	56	Low	60 Å²	60	42 Å²	42	24%	0.235	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.4	-174.9	-58.4	-95.6	0	0	0	110.4	W1118 K1119 L1121 R1256 S1263 L1264	W1118-Y1258 WeakPolarHBondContact CA-O 3.44Å; K1119-Y1258 PolarHBondContact N-O 2.85Å; K1119-Y1258 PolarHBondContact O-N 3.25Å; L1121-Y1258 HydrophobicContact CB-CE2 4.1Å; R1256-Y1258 HydrophobicContact CB-CE2 3.98Å; Y1258-S1263 VanDerWaalsContact CA-O 3.24Å; Y1258-S1263 WeakPolarHBondContact CA-O 3.44Å; Y1258-L1264 HydrophobicContact CD1-CB 4.1Å; Y1258-L1264 HydrophobicContact CD1-CD1 4.16Å; Y1258-L1264 HydrophobicContact CD2-CD1 4.43Å; Y1258-L1264 HydrophobicContact CE1-CB 3.93Å; Y1258-L1264 HydrophobicContact CE1-CD1 3.76Å; Y1258-L1264 HydrophobicContact CE1-CG 4.45Å; Y1258-L1264 HydrophobicContact CE2-CD1 4.03Å; Y1258-L1264 HydrophobicContact CG-CD1 4.48Å
1259	D	54.9	Low	56.1	Low	47 Å²	47	47.6 Å²	47.6	25%	0.251	26%	0.256	S	S	.	.			trans	-81.8	179.5	173.8	67.3	24.3	0	0	0	112.8	W1118 S1261 G1262 S1263 V1265	W1118-D1259 HydrophobicContact CE3-CB 4.17Å; W1118-D1259 HydrophobicContact CH2-CB 4.07Å; W1118-D1259 HydrophobicContact CZ3-CB 3.61Å; D1259-S1261 PolarHBondContact O-N 3.03Å; D1259-S1261 VanDerWaalsContact O-N 3.16Å; D1259-S1261 WeakPolarHBondContact OD1-CA 3.31Å; D1259-S1261 VanDerWaalsContact OD1-CB 3.31Å; D1259-S1261 WeakPolarHBondContact OD1-CB 3.26Å; D1259-S1261 PolarHBondContact OD1-N 3.32Å; D1259-S1261 PolarHBondContact OD1-OG 3.08Å; D1259-S1261 PolarHBondContact OD2-OG 2.97Å; D1259-G1262 PolarHBondContact O-N 3.01Å; D1259-G1262 PolarHBondContact OD1-N 2.95Å; D1259-S1263 PolarHBondContact N-O 3.14Å; D1259-S1263 PolarHBondContact OD1-N 2.91Å; D1259-V1265 HydrophobicContact CB-CG2 4.06Å
1260	E	47.9	Very low	56.4	Low	127 Å²	127	48.5 Å²	48.5	59%	0.593	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	178.7	-64.8	177.7	-169.1	0	0	113.9	Q1117	Q1117-E1260 HydrophobicContact CB-CG 4.09Å; Q1117-E1260 PolarHBondContact N-OE1 2.64Å
1261	S	45.4	Very low	56.4	Low	90 Å²	90	46.5 Å²	46.5	63%	0.629	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.7	172.2	79.5	0	0	0	0	113.3	D1259 S1263	D1259-S1261 PolarHBondContact O-N 3.03Å; D1259-S1261 VanDerWaalsContact O-N 3.16Å; D1259-S1261 WeakPolarHBondContact OD1-CA 3.31Å; D1259-S1261 VanDerWaalsContact OD1-CB 3.31Å; D1259-S1261 WeakPolarHBondContact OD1-CB 3.26Å; D1259-S1261 PolarHBondContact OD1-N 3.32Å; D1259-S1261 PolarHBondContact OD1-OG 3.08Å; D1259-S1261 PolarHBondContact OD2-OG 2.97Å; S1261-S1263 WeakPolarHBondContact OG-CB 3.41Å; S1261-S1263 PolarHBondContact OG-N 3.33Å; S1261-S1263 PolarHBondContact OG-OG 3.29Å
1262	G	38.7	Very low	56.1	Low	52 Å²	52	48.9 Å²	48.9	54%	0.536	26%	0.262	S	S	.	.	S	Bend	trans	82.2	9.8	-171.2	0	0	0	0	0	114	D1259	D1259-G1262 PolarHBondContact O-N 3.01Å; D1259-G1262 PolarHBondContact OD1-N 2.95Å
1263	S	39.4	Very low	55.8	Low	57 Å²	57	50.7 Å²	50.7	40%	0.399	27%	0.27	S	S	.	.			trans	-80.4	136.3	179	-61.2	0	0	0	0	110.7	Y1258 D1259 S1261 V1265	Y1258-S1263 VanDerWaalsContact CA-O 3.24Å; Y1258-S1263 WeakPolarHBondContact CA-O 3.44Å; D1259-S1263 PolarHBondContact N-O 3.14Å; D1259-S1263 PolarHBondContact OD1-N 2.91Å; S1261-S1263 WeakPolarHBondContact OG-CB 3.41Å; S1261-S1263 PolarHBondContact OG-N 3.33Å; S1261-S1263 PolarHBondContact OG-OG 3.29Å; S1263-V1265 PolarHBondContact O-N 2.87Å
1264	L	46.3	Very low	55.1	Low	24 Å²	24	58.4 Å²	58.4	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.8	176.6	-178	77.4	0	0	0	110.3	A869 P1042 R1256 Y1258	A869-L1264 HydrophobicContact CB-CD2 3.97Å; P1042-L1264 HydrophobicContact CB-CD2 4.1Å; P1042-L1264 HydrophobicContact CB-CG 4.35Å; P1042-L1264 HydrophobicContact CG-CD2 4.22Å; R1256-L1264 HydrophobicContact CB-CD1 3.79Å; R1256-L1264 HydrophobicContact CG-CD1 4.4Å; Y1258-L1264 HydrophobicContact CD1-CB 4.1Å; Y1258-L1264 HydrophobicContact CD1-CD1 4.16Å; Y1258-L1264 HydrophobicContact CD2-CD1 4.43Å; Y1258-L1264 HydrophobicContact CE1-CB 3.93Å; Y1258-L1264 HydrophobicContact CE1-CD1 3.76Å; Y1258-L1264 HydrophobicContact CE1-CG 4.45Å; Y1258-L1264 HydrophobicContact CE2-CD1 4.03Å; Y1258-L1264 HydrophobicContact CG-CD1 4.48Å
1265	V	54.1	Low	53.7	Low	40 Å²	40	64.7 Å²	64.7	24%	0.242	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-41.8	-175.9	-178.9	0	0	0	0	112.5	G1043 W1118 F1257 D1259 S1263	G1043-V1265 PolarHBondContact N-O 3.02Å; W1118-V1265 HydrophobicContact CH2-CB 4.37Å; W1118-V1265 HydrophobicContact CH2-CG1 4.17Å; W1118-V1265 HydrophobicContact CH2-CG2 4.19Å; W1118-V1265 HydrophobicContact CZ3-CB 3.8Å; W1118-V1265 HydrophobicContact CZ3-CG1 4.07Å; W1118-V1265 HydrophobicContact CZ3-CG2 3.69Å; F1257-V1265 PolarHBondContact O-N 2.71Å; D1259-V1265 HydrophobicContact CB-CG2 4.06Å; S1263-V1265 PolarHBondContact O-N 2.87Å
1266	Y	57.4	Low	52.1	Low	87 Å²	87	72 Å²	72	34%	0.341	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.5	176.1	-57.4	-77.6	0	0	0	111.8	N1044 R1256 F1257	N1044-Y1266 WeakPolarHBondContact O-CD1 3.42Å; R1256-Y1266 CarbonylContact C-O 3.41Å; R1256-Y1266 WeakPolarHBondContact CA-O 3.31Å; F1257-Y1266 HydrophobicContact CB-CD2 4.39Å; F1257-Y1266 PolarHBondContact N-O 3.21Å; F1257-Y1266 PolarHBondContact O-N 3.44Å
1267	A	54.9	Low	50.6	Low	16 Å²	16	72 Å²	72	13%	0.132	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.4	168.4	0	0	0	0	0	110.6	P1042 P1045 F1255 R1256	P1042-A1267 HydrophobicContact CB-CB 4.22Å; P1042-A1267 HydrophobicContact CG-CB 3.77Å; P1045-A1267 WeakPolarHBondContact CD-O 2.95Å; F1255-A1267 CarbonylContact O-C 3.57Å; F1255-A1267 VanDerWaalsContact O-CA 3.29Å; F1255-A1267 WeakPolarHBondContact O-CA 3.38Å; R1256-A1267 HydrophobicContact CG-CB 4.1Å
1268	T	58.1	Low	49	Very low	13 Å²	13	81.9 Å²	81.9	8%	0.08	44%	0.439	C	S	.	.			trans	-99	156.1	171.4	73.6	0	0	0	0	111.1	P1045 I1047 Q1254 F1255	P1045-T1268 HydrophobicContact CB-CG2 3.87Å; P1045-T1268 HydrophobicContact CG-CG2 3.79Å; I1047-T1268 HydrophobicContact CD1-CG2 4.3Å; Q1254-T1268 WeakPolarHBondContact CA-OG1 3.36Å; Q1254-T1268 PolarHBondContact NE2-O 2.86Å; F1255-T1268 HydrophobicContact CB-CG2 3.81Å; F1255-T1268 HydrophobicContact CD2-CG2 3.9Å; F1255-T1268 HydrophobicContact CG-CG2 4.22Å; F1255-T1268 PolarHBondContact N-OG1 2.84Å; F1255-T1268 PolarHBondContact O-N 2.85Å
1269	D	53.2	Low	47.7	Very low	140 Å²	140	90.1 Å²	90.1	75%	0.749	47%	0.471	S	S	*	.			trans	-64.4	-179.4	156	-66	-48.8	0	0	0	111.3
1270	W	56.5	Low	46.5	Very low	106 Å²	106	94.7 Å²	94.7	40%	0.402	50%	0.495	S	S	.	.			trans	-75.1	131.9	170	-69.4	94.6	0	0	0	110.9	R1123 C1125 L1178 Y1253 Q1254	R1123-W1270 VanDerWaalsContact CD-CH2 3.47Å; R1123-W1270 HydrophobicContact CG-CH2 3.54Å; R1123-W1270 HydrophobicContact CG-CZ2 4.36Å; R1123-W1270 HydrophobicContact CG-CZ3 4.09Å; C1125-W1270 HydrophobicContact CB-CZ3 4.21Å; C1125-W1270 WeakPolarHBondContact SG-CH2 3.42Å; C1125-W1270 VanDerWaalsContact SG-CZ3 3.59Å; L1178-W1270 HydrophobicContact CD2-CE3 4.33Å; L1178-W1270 HydrophobicContact CD2-CH2 3.91Å; L1178-W1270 HydrophobicContact CD2-CZ2 4.19Å; L1178-W1270 HydrophobicContact CD2-CZ3 4.01Å; Y1253-W1270 CarbonylContact O-C 3.36Å; Y1253-W1270 WeakPolarHBondContact O-CA 3.47Å; Q1254-W1270 HydrophobicContact CB-CD2 4.15Å; Q1254-W1270 HydrophobicContact CB-CE3 4.13Å; Q1254-W1270 HydrophobicContact CB-CZ3 4.39Å
1271	V	59	Low	45.5	Very low	19 Å²	19	96.6 Å²	96.6	12%	0.115	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.4	-173.7	172.1	0	0	0	0	109.2	V1049 F1054 T1252 Y1253	V1049-V1271 HydrophobicContact CB-CG1 4.14Å; V1049-V1271 HydrophobicContact CG1-CG1 3.42Å; V1049-V1271 VanDerWaalsContact CG1-CG1 3.42Å; V1049-V1271 HydrophobicContact CG2-CB 4.26Å; V1049-V1271 HydrophobicContact CG2-CG1 3.54Å; V1049-V1271 HydrophobicContact CG2-CG2 3.65Å; F1054-V1271 HydrophobicContact CE2-CG1 4.14Å; F1054-V1271 HydrophobicContact CZ-CG1 4.3Å; T1252-V1271 CarbonylContact C-O 3.48Å; T1252-V1271 VanDerWaalsContact CA-O 3.22Å; T1252-V1271 WeakPolarHBondContact CA-O 3.25Å; Y1253-V1271 PolarHBondContact N-O 3.13Å; Y1253-V1271 PolarHBondContact O-N 3.15Å
1272	D	59.7	Low	44.7	Very low	51 Å²	51	97.4 Å²	97.4	27%	0.273	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.6	174.7	-73.9	18.8	0	0	0	111.1	T1252	T1252-D1272 WeakPolarHBondContact CG2-OD1 3.48Å
1273	E	62.4	Low	44.2	Very low	39 Å²	39	99.9 Å²	99.9	18%	0.182	52%	0.515	C	S	.	.			trans	-68.9	128.9	169.7	-83.9	174	-145.3	0	0	112.9	F1054 H1056 K1250 L1251 Y1253	F1054-E1273 HydrophobicContact CB-CG 3.74Å; F1054-E1273 WeakPolarHBondContact CB-OE1 3.46Å; F1054-E1273 HydrophobicContact CG-CG 4.3Å; H1056-E1273 IonicContact CD2-OE1 2.77Å; H1056-E1273 IonicContact CD2-OE2 3.82Å; H1056-E1273 PolarHBondContact CD2-OE2 2.85Å; H1056-E1273 IonicContact NE2-OE2 3.34Å; K1250-E1273 PolarHBondContact NZ-O 3.38Å; L1251-E1273 PolarHBondContact O-N 2.77Å; Y1253-E1273 HydrophobicContact CE2-CG 4.01Å; Y1253-E1273 VanDerWaalsContact CE2-OE1 3.31Å; Y1253-E1273 WeakPolarHBondContact CE2-OE1 3.43Å; Y1253-E1273 PolarHBondContact OH-OE1 2.81Å
1274	E	52.8	Low	43.6	Very low	163 Å²	163	106.6 Å²	106.6	76%	0.762	54%	0.537	S	S	*	.			trans	-108.9	141.1	170.6	-64	-163.8	128.2	0	0	110.6
1275	N	40	Very low	42.8	Very low	154 Å²	154	110.4 Å²	110.4	82%	0.824	57%	0.566	S	S	*	*			trans	-103.9	83.6	-166.1	-174.1	25.5	0	0	0	112.3	G1277	N1275-G1277 PolarHBondContact O-N 2.81Å
1276	D	34.8	Very low	41.8	Very low	153 Å²	153	115.6 Å²	115.6	82%	0.818	59%	0.591	S	S	*	*			trans	-73.3	84.1	178.1	-87.8	-20.2	0	0	0	112.3
1277	G	28.7	Very low	40.5	Very low	66 Å²	66	118 Å²	118	68%	0.68	61%	0.607	S	S	*	*			trans	-82.7	108.5	169.5	0	0	0	0	0	112.2	N1275	N1275-G1277 PolarHBondContact O-N 2.81Å
1278	Y	28.9	Very low	39.3	Very low	216 Å²	216	120.7 Å²	120.7	85%	0.847	64%	0.636	S	S	*	*			trans	-113.2	101.3	171.1	-127.2	-88.3	0	0	0	110.3
1279	Y	27.8	Very low	37.9	Very low	232 Å²	232	127.4 Å²	127.4	91%	0.91	66%	0.661	S	S	*	*			trans	-96.1	139.2	160.9	-85.6	-90.6	0	0	0	108.1
1280	D	29.9	Very low	36.8	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	67%	0.666	S	S	*	*			trans	-139.9	145.2	166.6	-139.2	-17.8	0	0	0	110.1
1281	E	28	Very low	35.8	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	69%	0.686	S	S	*	*			trans	-77.3	156.8	-157.3	-53.9	179.5	124.4	0	0	113.5
1282	S	27.9	Very low	35.1	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	70%	0.702	S	S	*	*				158.6	179.5	76.5	51.3	0	0	0	0	110.2
1283	T	29	Very low	34.5	Very low	103 Å²	103	141.6 Å²	141.6	63%	0.632	72%	0.719	S	S	*	*				-155.3	170.5	-58.9	44.6	0	0	0	0	109
1284	F	26.7	Very low	33.7	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.873	74%	0.742	S	S	*	*			trans	71.6	140.3	166.1	-73.1	-72	0	0	0	118.8
1285	S	28.3	Very low	33.7	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	74%	0.738	S	S	*	*			cis	-152.9	-176.7	8.5	65.6	0	0	0	0	110.3
1286	I	34.5	Very low	34.6	Very low	148 Å²	148	144.2 Å²	144.2	76%	0.759	72%	0.724	S	S	*	*			cis	-141.1	-91.6	8.4	-171.7	164.3	0	0	0	114
1287	M	30.2	Very low	36.2	Very low	139 Å²	139	141 Å²	141	69%	0.685	71%	0.71	S	S	*	*			trans	-156.4	150.2	-166.4	-67.5	178.7	178.6	0	0	110.2	Y1289	M1287-Y1289 HydrophobicContact CB-CD2 4.33Å; M1287-Y1289 HydrophobicContact CB-CE2 4.17Å; M1287-Y1289 HydrophobicContact CG-CE2 4.23Å; M1287-Y1289 HydrophobicContact SD-CE2 3.82Å
1288	G	28.9	Very low	38.1	Very low	72 Å²	72	142 Å²	142	74%	0.742	70%	0.699	S	S	*	*			cis	-167.5	-149.7	2	0	0	0	0	0	109.6
1289	Y	29.5	Very low	39.9	Very low	153 Å²	153	138.4 Å²	138.4	60%	0.6	69%	0.688	S	S	*	*			cis	-166.4	-168	-3.7	-120.9	-49.6	0	0	0	109.8	M1287 N1291	M1287-Y1289 HydrophobicContact CB-CD2 4.33Å; M1287-Y1289 HydrophobicContact CB-CE2 4.17Å; M1287-Y1289 HydrophobicContact CG-CE2 4.23Å; M1287-Y1289 HydrophobicContact SD-CE2 3.82Å; Y1289-N1291 PolarHBondContact O-N 3.37Å
1290	R	29.6	Very low	42.1	Very low	227 Å²	227	129 Å²	129	86%	0.857	66%	0.662	S	S	*	*	S	Bend	trans	43.3	58.1	173.2	-64.7	-164.8	87	-180	7.5	118.1
1291	N	36.2	Very low	44.3	Very low	152 Å²	152	125.1 Å²	125.1	81%	0.813	65%	0.649	S	S	*	*	S	Bend		-152.3	9	115.8	-126.4	1.7	0	0	0	115.3	Y1289 Y1293	Y1289-N1291 PolarHBondContact O-N 3.37Å; N1291-Y1293 PolarHBondContact O-N 3.41Å
1292	T	43.7	Very low	46.6	Very low	74 Å²	74	124 Å²	124	45%	0.454	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-10.4	-179.1	44.6	0	0	0	0	115.1	L1294 I1296	T1292-L1294 PolarHBondContact O-N 3.43Å; T1292-I1296 WeakPolarHBondContact O-CB 3.48Å; T1292-I1296 VanDerWaalsContact O-CG1 3.27Å; T1292-I1296 WeakPolarHBondContact O-CG1 3.34Å; T1292-I1296 PolarHBondContact O-N 2.92Å
1293	Y	46.2	Very low	48.8	Very low	162 Å²	162	125.7 Å²	125.7	64%	0.635	64%	0.636	S	S	*	*	H	α-helix	trans	-64.6	-37.1	-170.5	-110.2	-82.7	0	0	0	114.6	N1291 V1297	N1291-Y1293 PolarHBondContact O-N 3.41Å; Y1293-V1297 HydrophobicContact CD1-CG2 4.41Å; Y1293-V1297 WeakPolarHBondContact O-CB 3.42Å; Y1293-V1297 VanDerWaalsContact O-CG2 3.23Å; Y1293-V1297 WeakPolarHBondContact O-CG2 3.39Å; Y1293-V1297 PolarHBondContact O-N 3.39Å
1294	L	45.9	Very low	51.2	Low	128 Å²	128	127.9 Å²	127.9	67%	0.67	64%	0.637	S	S	*	*	H	α-helix	trans	-69.8	-45.4	-175.4	-155.2	77.8	0	0	0	111.8	T1292 V1297 I1298	T1292-L1294 PolarHBondContact O-N 3.43Å; L1294-V1297 PolarHBondContact O-N 3.38Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.3Å; L1294-I1298 PolarHBondContact O-N 2.73Å
1295	W	53.2	Low	53.7	Low	175 Å²	175	123.2 Å²	123.2	66%	0.663	62%	0.621	S	S	*	*	H	α-helix	trans	-71.4	-35.8	177.3	-79.3	90.8	0	0	0	112.6	V1297 I1298 F1299	W1295-V1297 VanDerWaalsContact C-N 3.3Å; W1295-V1297 PolarHBondContact O-N 2.71Å; W1295-I1298 PolarHBondContact O-N 2.89Å; W1295-F1299 HydrophobicContact CE3-CD2 4.06Å; W1295-F1299 AromaticContact CE3-CE2 3.73Å; W1295-F1299 HydrophobicContact CE3-CE2 3.73Å; W1295-F1299 AromaticContact CZ3-CE2 3.96Å; W1295-F1299 HydrophobicContact CZ3-CE2 3.96Å; W1295-F1299 PolarHBondContact O-N 2.7Å
1296	I	58.9	Low	56	Low	107 Å²	107	122.8 Å²	122.8	55%	0.549	61%	0.61	S	S	.	*	H	α-helix	trans	-65.9	-32.7	172.3	-69.8	174.5	0	0	0	111.4	T1292 G1300	T1292-I1296 WeakPolarHBondContact O-CB 3.48Å; T1292-I1296 VanDerWaalsContact O-CG1 3.27Å; T1292-I1296 WeakPolarHBondContact O-CG1 3.34Å; T1292-I1296 PolarHBondContact O-N 2.92Å; I1296-G1300 WeakPolarHBondContact O-CA 3.09Å; I1296-G1300 PolarHBondContact O-N 3.05Å
1297	V	69	Low	58	Low	86 Å²	86	120.1 Å²	120.1	52%	0.521	60%	0.597	S	S	.	*	H	α-helix	trans	-70.5	-39	172.9	166.5	0	0	0	0	111.8	Y1293 L1294 W1295 A1301	Y1293-V1297 HydrophobicContact CD1-CG2 4.41Å; Y1293-V1297 WeakPolarHBondContact O-CB 3.42Å; Y1293-V1297 VanDerWaalsContact O-CG2 3.23Å; Y1293-V1297 WeakPolarHBondContact O-CG2 3.39Å; Y1293-V1297 PolarHBondContact O-N 3.39Å; L1294-V1297 PolarHBondContact O-N 3.38Å; W1295-V1297 VanDerWaalsContact C-N 3.3Å; W1295-V1297 PolarHBondContact O-N 2.71Å; V1297-A1301 WeakPolarHBondContact O-CB 3.28Å; V1297-A1301 PolarHBondContact O-N 3Å
1298	I	68.8	Low	60.3	Low	86 Å²	86	116.6 Å²	116.6	44%	0.441	58%	0.583	S	S	.	*	H	α-helix	trans	-69.5	-51.7	178.4	-67.4	165.2	0	0	0	111.3	L1294 W1295 G1300 A1301 F1302	L1294-I1298 WeakPolarHBondContact O-CG1 3.3Å; L1294-I1298 PolarHBondContact O-N 2.73Å; W1295-I1298 PolarHBondContact O-N 2.89Å; I1298-G1300 VanDerWaalsContact C-N 3.33Å; I1298-G1300 PolarHBondContact O-N 2.83Å; I1298-A1301 PolarHBondContact O-N 3.13Å; I1298-F1302 PolarHBondContact O-N 3.26Å
1299	F	66.7	Low	62.6	Low	142 Å²	142	117.5 Å²	117.5	62%	0.623	57%	0.57	S	S	*	*	H	α-helix	trans	-65.4	-36.9	174.8	-87.6	-73.3	0	0	0	111.9	W1295 F1302 F1303	W1295-F1299 HydrophobicContact CE3-CD2 4.06Å; W1295-F1299 AromaticContact CE3-CE2 3.73Å; W1295-F1299 HydrophobicContact CE3-CE2 3.73Å; W1295-F1299 AromaticContact CZ3-CE2 3.96Å; W1295-F1299 HydrophobicContact CZ3-CE2 3.96Å; W1295-F1299 PolarHBondContact O-N 2.7Å; F1299-F1302 PolarHBondContact O-N 3.22Å; F1299-F1303 VanDerWaalsContact O-CB 3.31Å; F1299-F1303 WeakPolarHBondContact O-CB 3.46Å; F1299-F1303 PolarHBondContact O-N 2.63Å
1300	G	72.7	Confident	64.4	Low	35 Å²	35	114.7 Å²	114.7	36%	0.361	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-42.1	173.9	0	0	0	0	0	112.3	I1296 I1298 F1303 F1304	I1296-G1300 WeakPolarHBondContact O-CA 3.09Å; I1296-G1300 PolarHBondContact O-N 3.05Å; I1298-G1300 VanDerWaalsContact C-N 3.33Å; I1298-G1300 PolarHBondContact O-N 2.83Å; G1300-F1303 PolarHBondContact O-N 2.82Å; G1300-F1304 WeakPolarHBondContact O-CB 3.21Å; G1300-F1304 PolarHBondContact O-N 3.29Å
1301	A	76.4	Confident	66.2	Low	60 Å²	60	110.2 Å²	110.2	50%	0.496	55%	0.552	S	S	.	*	H	α-helix	trans	-65.1	-42.8	174.7	0	0	0	0	0	111.9	V1297 I1298 F1304 L1305	V1297-A1301 WeakPolarHBondContact O-CB 3.28Å; V1297-A1301 PolarHBondContact O-N 3Å; I1298-A1301 PolarHBondContact O-N 3.13Å; A1301-F1304 PolarHBondContact O-N 2.74Å; A1301-L1305 VanDerWaalsContact O-CB 3.31Å; A1301-L1305 WeakPolarHBondContact O-CB 3.4Å; A1301-L1305 PolarHBondContact O-N 3.37Å
1302	F	76.5	Confident	67.7	Low	144 Å²	144	106 Å²	106	63%	0.632	53%	0.531	S	S	*	.	H	α-helix	trans	-63.2	-46.3	174.4	-107.8	-82.9	0	0	0	112.3	I1298 F1299 L1305 L1306	I1298-F1302 PolarHBondContact O-N 3.26Å; F1299-F1302 PolarHBondContact O-N 3.22Å; F1302-L1305 PolarHBondContact O-N 3.1Å; F1302-L1306 WeakPolarHBondContact O-CB 3.28Å; F1302-L1306 PolarHBondContact O-N 3.11Å
1303	F	74.6	Confident	68.5	Low	144 Å²	144	108.8 Å²	108.8	63%	0.632	54%	0.537	S	S	*	.	H	α-helix	trans	-68.3	-35.3	179.4	-153.6	-94.6	0	0	0	111.6	F1299 G1300 L1306 L1307	F1299-F1303 VanDerWaalsContact O-CB 3.31Å; F1299-F1303 WeakPolarHBondContact O-CB 3.46Å; F1299-F1303 PolarHBondContact O-N 2.63Å; G1300-F1303 PolarHBondContact O-N 2.82Å; F1303-L1306 PolarHBondContact O-N 2.98Å; F1303-L1307 HydrophobicContact CD1-CD1 3.64Å; F1303-L1307 HydrophobicContact CD1-CG 3.97Å; F1303-L1307 HydrophobicContact CE1-CD1 3.75Å; F1303-L1307 HydrophobicContact CE1-CD2 4.47Å; F1303-L1307 HydrophobicContact CE1-CG 4Å; F1303-L1307 WeakPolarHBondContact O-CB 3.49Å; F1303-L1307 VanDerWaalsContact O-CG 3.29Å; F1303-L1307 WeakPolarHBondContact O-CG 3.23Å; F1303-L1307 PolarHBondContact O-N 2.68Å
1304	F	79.1	Confident	68.9	Low	149 Å²	149	104.8 Å²	104.8	65%	0.654	53%	0.529	S	S	*	.	H	α-helix	trans	-70	-36.3	172.7	-158.4	-84.5	0	0	0	111.6	G1300 A1301 V1308	G1300-F1304 WeakPolarHBondContact O-CB 3.21Å; G1300-F1304 PolarHBondContact O-N 3.29Å; A1301-F1304 PolarHBondContact O-N 2.74Å; F1304-V1308 HydrophobicContact CD1-CG2 3.75Å; F1304-V1308 HydrophobicContact CE1-CG2 3.68Å; F1304-V1308 VanDerWaalsContact O-CB 3.24Å; F1304-V1308 WeakPolarHBondContact O-CB 3.33Å; F1304-V1308 WeakPolarHBondContact O-CG2 3.25Å; F1304-V1308 PolarHBondContact O-N 3.06Å
1305	L	78.7	Confident	69.2	Low	101 Å²	101	103 Å²	103	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-43.5	173	-166.5	79.9	0	0	0	111.2	A1301 F1302 V1308 I1309	A1301-L1305 VanDerWaalsContact O-CB 3.31Å; A1301-L1305 WeakPolarHBondContact O-CB 3.4Å; A1301-L1305 PolarHBondContact O-N 3.37Å; F1302-L1305 PolarHBondContact O-N 3.1Å; L1305-V1308 CarbonylContact O-C 3.58Å; L1305-V1308 PolarHBondContact O-N 2.64Å; L1305-I1309 HydrophobicContact CD2-CD1 4.45Å; L1305-I1309 HydrophobicContact CG-CD1 4.16Å; L1305-I1309 WeakPolarHBondContact O-CB 3.38Å; L1305-I1309 VanDerWaalsContact O-CG1 3.27Å; L1305-I1309 WeakPolarHBondContact O-CG1 3.35Å; L1305-I1309 PolarHBondContact O-N 3.46Å
1306	L	75.7	Confident	69	Low	95 Å²	95	104.2 Å²	104.2	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-70.3	-38.8	179.5	-141.8	165.5	0	0	0	111.1	F1302 F1303 I1309 L1310	F1302-L1306 WeakPolarHBondContact O-CB 3.28Å; F1302-L1306 PolarHBondContact O-N 3.11Å; F1303-L1306 PolarHBondContact O-N 2.98Å; L1306-I1309 PolarHBondContact O-N 3.18Å; L1306-L1310 HydrophobicContact CD2-CD1 3.58Å; L1306-L1310 HydrophobicContact CD2-CG 4.05Å; L1306-L1310 WeakPolarHBondContact O-CB 3.04Å; L1306-L1310 WeakPolarHBondContact O-CG 3.37Å; L1306-L1310 PolarHBondContact O-N 2.72Å
1307	L	76.6	Confident	68.1	Low	92 Å²	92	107.5 Å²	107.5	48%	0.482	53%	0.534	S	S	.	.	H	α-helix	trans	-64	-39.1	167.5	-79.2	175.9	0	0	0	112.1	F1303 L1310 F1311	F1303-L1307 HydrophobicContact CD1-CD1 3.64Å; F1303-L1307 HydrophobicContact CD1-CG 3.97Å; F1303-L1307 HydrophobicContact CE1-CD1 3.75Å; F1303-L1307 HydrophobicContact CE1-CD2 4.47Å; F1303-L1307 HydrophobicContact CE1-CG 4Å; F1303-L1307 WeakPolarHBondContact O-CB 3.49Å; F1303-L1307 VanDerWaalsContact O-CG 3.29Å; F1303-L1307 WeakPolarHBondContact O-CG 3.23Å; F1303-L1307 PolarHBondContact O-N 2.68Å; L1307-L1310 PolarHBondContact O-N 3.33Å; L1307-F1311 WeakPolarHBondContact O-CA 3.25Å; L1307-F1311 WeakPolarHBondContact O-CB 3.27Å; L1307-F1311 PolarHBondContact O-N 2.96Å
1308	V	79	Confident	66.5	Low	64 Å²	64	114.1 Å²	114.1	39%	0.388	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-39.1	174.6	162.6	0	0	0	0	110.7	F1304 L1305 V1312	F1304-V1308 HydrophobicContact CD1-CG2 3.75Å; F1304-V1308 HydrophobicContact CE1-CG2 3.68Å; F1304-V1308 VanDerWaalsContact O-CB 3.24Å; F1304-V1308 WeakPolarHBondContact O-CB 3.33Å; F1304-V1308 WeakPolarHBondContact O-CG2 3.25Å; F1304-V1308 PolarHBondContact O-N 3.06Å; L1305-V1308 CarbonylContact O-C 3.58Å; L1305-V1308 PolarHBondContact O-N 2.64Å; V1308-V1312 HydrophobicContact CG1-CG2 4.37Å; V1308-V1312 WeakPolarHBondContact O-CB 3.22Å; V1308-V1312 WeakPolarHBondContact O-CG2 3.18Å; V1308-V1312 PolarHBondContact O-N 3.37Å
1309	I	77.5	Confident	64.9	Low	92 Å²	92	116 Å²	116	47%	0.472	56%	0.559	S	S	.	*	H	α-helix	trans	-65.9	-46.1	175	-70.9	163.1	0	0	0	110.7	L1305 L1306 V1312 F1313	L1305-I1309 HydrophobicContact CD2-CD1 4.45Å; L1305-I1309 HydrophobicContact CG-CD1 4.16Å; L1305-I1309 WeakPolarHBondContact O-CB 3.38Å; L1305-I1309 VanDerWaalsContact O-CG1 3.27Å; L1305-I1309 WeakPolarHBondContact O-CG1 3.35Å; L1305-I1309 PolarHBondContact O-N 3.46Å; L1306-I1309 PolarHBondContact O-N 3.18Å; I1309-V1312 PolarHBondContact O-N 3.48Å; I1309-F1313 WeakPolarHBondContact O-CB 3.44Å; I1309-F1313 PolarHBondContact O-N 3.04Å
1310	L	68.1	Low	63.4	Low	94 Å²	94	116.6 Å²	116.6	49%	0.492	57%	0.569	S	S	.	*	H	α-helix	trans	-68.4	-37.1	177	-78.5	168.4	0	0	0	112.5	L1306 L1307 F1313 V1314	L1306-L1310 HydrophobicContact CD2-CD1 3.58Å; L1306-L1310 HydrophobicContact CD2-CG 4.05Å; L1306-L1310 WeakPolarHBondContact O-CB 3.04Å; L1306-L1310 WeakPolarHBondContact O-CG 3.37Å; L1306-L1310 PolarHBondContact O-N 2.72Å; L1307-L1310 PolarHBondContact O-N 3.33Å; L1310-F1313 CarbonylContact O-C 3.42Å; L1310-F1313 PolarHBondContact O-N 2.74Å; L1310-V1314 WeakPolarHBondContact O-CB 3.43Å; L1310-V1314 VanDerWaalsContact O-CG2 3.26Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.41Å; L1310-V1314 PolarHBondContact O-N 2.74Å
1311	F	66.7	Low	61.2	Low	133 Å²	133	122.8 Å²	122.8	58%	0.583	59%	0.594	S	S	*	*	H	α-helix	trans	-71.3	-36.9	175.1	-163.9	-99.1	0	0	0	110.5	L1307 F1313 V1314 M1315	L1307-F1311 WeakPolarHBondContact O-CA 3.25Å; L1307-F1311 WeakPolarHBondContact O-CB 3.27Å; L1307-F1311 PolarHBondContact O-N 2.96Å; F1311-F1313 VanDerWaalsContact C-N 3.33Å; F1311-F1313 PolarHBondContact O-N 2.75Å; F1311-V1314 PolarHBondContact O-N 3.4Å; F1311-M1315 HydrophobicContact CD1-CG 3.74Å; F1311-M1315 HydrophobicContact CE1-CE 4.14Å; F1311-M1315 HydrophobicContact CE1-CG 3.66Å; F1311-M1315 HydrophobicContact CE1-SD 4.11Å; F1311-M1315 HydrophobicContact CG-CG 4.24Å; F1311-M1315 HydrophobicContact CZ-CE 4.37Å; F1311-M1315 HydrophobicContact CZ-CG 4.1Å; F1311-M1315 HydrophobicContact CZ-SD 4.06Å; F1311-M1315 WeakPolarHBondContact O-CB 3.49Å; F1311-M1315 WeakPolarHBondContact O-CG 3.16Å; F1311-M1315 PolarHBondContact O-N 3.39Å
1312	V	68.4	Low	59.1	Low	64 Å²	64	128.5 Å²	128.5	39%	0.388	61%	0.608	S	S	.	*	H	α-helix	trans	-62.8	-38.8	167.6	164.3	0	0	0	0	110.9	V1308 I1309 R1316	V1308-V1312 HydrophobicContact CG1-CG2 4.37Å; V1308-V1312 WeakPolarHBondContact O-CB 3.22Å; V1308-V1312 WeakPolarHBondContact O-CG2 3.18Å; V1308-V1312 PolarHBondContact O-N 3.37Å; I1309-V1312 PolarHBondContact O-N 3.48Å; V1312-R1316 WeakPolarHBondContact O-CB 2.89Å; V1312-R1316 WeakPolarHBondContact O-CG 3.47Å; V1312-R1316 PolarHBondContact O-N 3.3Å
1313	F	59.7	Low	57.2	Low	131 Å²	131	128.2 Å²	128.2	58%	0.575	61%	0.613	S	S	*	*	H	α-helix	trans	-70.4	-41.2	176.3	-124	-87.9	0	0	0	112.8	I1309 L1310 F1311 R1316 K1317	I1309-F1313 WeakPolarHBondContact O-CB 3.44Å; I1309-F1313 PolarHBondContact O-N 3.04Å; L1310-F1313 CarbonylContact O-C 3.42Å; L1310-F1313 PolarHBondContact O-N 2.74Å; F1311-F1313 VanDerWaalsContact C-N 3.33Å; F1311-F1313 PolarHBondContact O-N 2.75Å; F1313-R1316 PolarHBondContact O-N 3.3Å; F1313-K1317 WeakPolarHBondContact O-CB 3.22Å; F1313-K1317 PolarHBondContact O-N 2.91Å
1314	V	54.4	Low	55	Low	78 Å²	78	127.9 Å²	127.9	47%	0.473	62%	0.618	S	S	.	*	H	α-helix	trans	-74	-38.1	179.3	169.5	0	0	0	0	111.1	L1310 F1311 K1317 R1318	L1310-V1314 WeakPolarHBondContact O-CB 3.43Å; L1310-V1314 VanDerWaalsContact O-CG2 3.26Å; L1310-V1314 WeakPolarHBondContact O-CG2 3.41Å; L1310-V1314 PolarHBondContact O-N 2.74Å; F1311-V1314 PolarHBondContact O-N 3.4Å; V1314-K1317 CarbonylContact O-C 3.39Å; V1314-K1317 PolarHBondContact O-N 3.2Å; V1314-K1317 VanDerWaalsContact O-N 3.16Å; V1314-R1318 WeakPolarHBondContact O-CB 3.2Å; V1314-R1318 PolarHBondContact O-N 2.95Å
1315	M	52	Low	52.4	Low	91 Å²	91	128.5 Å²	128.5	45%	0.448	62%	0.62	S	S	.	*	H	α-helix	trans	-68.5	-40.4	171.2	-65.5	-71.4	-88.2	0	0	110.7	F1311 K1317 R1318 L1319	F1311-M1315 HydrophobicContact CD1-CG 3.74Å; F1311-M1315 HydrophobicContact CE1-CE 4.14Å; F1311-M1315 HydrophobicContact CE1-CG 3.66Å; F1311-M1315 HydrophobicContact CE1-SD 4.11Å; F1311-M1315 HydrophobicContact CG-CG 4.24Å; F1311-M1315 HydrophobicContact CZ-CE 4.37Å; F1311-M1315 HydrophobicContact CZ-CG 4.1Å; F1311-M1315 HydrophobicContact CZ-SD 4.06Å; F1311-M1315 WeakPolarHBondContact O-CB 3.49Å; F1311-M1315 WeakPolarHBondContact O-CG 3.16Å; F1311-M1315 PolarHBondContact O-N 3.39Å; M1315-K1317 PolarHBondContact O-N 3.07Å; M1315-R1318 PolarHBondContact O-N 3.33Å; M1315-L1319 WeakPolarHBondContact O-CB 3.38Å; M1315-L1319 PolarHBondContact O-N 3.47Å
1316	R	50.4	Low	50	Low	200 Å²	200	131 Å²	131	76%	0.755	63%	0.629	S	S	*	*	H	α-helix	trans	-62.4	-24	168.9	-80.4	176.7	165.1	177.8	-4.5	113.5	V1312 F1313	V1312-R1316 WeakPolarHBondContact O-CB 2.89Å; V1312-R1316 WeakPolarHBondContact O-CG 3.47Å; V1312-R1316 PolarHBondContact O-N 3.3Å; F1313-R1316 PolarHBondContact O-N 3.3Å
1317	K	38.6	Very low	47.7	Very low	177 Å²	177	130 Å²	130	77%	0.77	64%	0.635	S	S	*	*	H	α-helix	trans	-106.7	3	-177.1	-156.6	168.5	-176.6	179.8	0	114.6	F1313 V1314 M1315	F1313-K1317 WeakPolarHBondContact O-CB 3.22Å; F1313-K1317 PolarHBondContact O-N 2.91Å; V1314-K1317 CarbonylContact O-C 3.39Å; V1314-K1317 PolarHBondContact O-N 3.2Å; V1314-K1317 VanDerWaalsContact O-N 3.16Å; M1315-K1317 PolarHBondContact O-N 3.07Å
1318	R	35.5	Very low	45.4	Very low	225 Å²	225	130.8 Å²	130.8	85%	0.849	64%	0.643	S	S	*	*	H	α-helix	trans	-120.6	0.6	168.8	-85.8	-172	165.6	-178.2	-3.4	114.2	V1314 M1315	V1314-R1318 WeakPolarHBondContact O-CB 3.2Å; V1314-R1318 PolarHBondContact O-N 2.95Å; M1315-R1318 PolarHBondContact O-N 3.33Å
1319	L	36.5	Very low	43	Very low	124 Å²	124	134.1 Å²	134.1	65%	0.649	66%	0.659	S	S	*	*	S	Bend	trans	-128.1	40.6	-177.1	-116.1	163.7	0	0	0	114.2	M1315	M1315-L1319 WeakPolarHBondContact O-CB 3.38Å; M1315-L1319 PolarHBondContact O-N 3.47Å
1320	N	33.6	Very low	40.8	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	67%	0.665	S	S	*	*			trans	-164.5	107.2	139.2	-105.7	-17.7	0	0	0	110.9
1321	N	27.7	Very low	39.1	Very low	165 Å²	165	137.7 Å²	137.7	88%	0.882	67%	0.674	S	S	*	*			trans	-128.3	90	170	-168.9	37.9	0	0	0	108.1
1322	K	32.7	Very low	37.3	Very low	181 Å²	181	136 Å²	136	79%	0.787	68%	0.68	S	S	*	*			trans	-168.5	140.8	173.6	-112.9	-178.9	-180	178.7	0	110.7
1323	N	36.1	Very low	35.5	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	70%	0.698	S	S	*	*			trans	53.1	91.2	158.6	-51.6	13.1	0	0	0	114.7
1324	D	27.1	Very low	33.8	Very low	138 Å²	138	138 Å²	138	74%	0.738	71%	0.707	S	S	*	*			cis	62.6	132.1	22.3	-144.1	16.1	0	0	0	113.8
1325	F	25.4	Very low	33.1	Very low	162 Å²	162	139.2 Å²	139.2	71%	0.711	72%	0.717	S	S	*	*			trans	68.3	136.8	172.6	-83	-126.3	0	0	0	117.3
1326	Q	27.7	Very low	31.7	Very low	154 Å²	154	141.9 Å²	141.9	72%	0.72	73%	0.732	S	S	*	*			cis	-165.6	176.7	-4.1	-146.4	-175.3	6.4	0	0	111.8
1327	A	27.8	Very low	30.5	Very low	73 Å²	73	138.3 Å²	138.3	60%	0.603	73%	0.728	S	S	*	*			trans	79.9	142.8	136.1	0	0	0	0	0	118.8
1328	T	28.2	Very low	30.1	Very low	108 Å²	108	138.2 Å²	138.2	66%	0.663	73%	0.727	S	S	*	*			cis	-166.4	160.3	-3.7	14.5	0	0	0	0	111.8
1329	N	27.9	Very low	29.7	Very low	135 Å²	135	132 Å²	132	72%	0.722	72%	0.718	S	S	*	*			trans	69.7	147.9	142.2	-71.1	-4.7	0	0	0	118.3
1330	N	31.3	Very low	29.2	Very low	113 Å²	113	132.6 Å²	132.6	60%	0.604	72%	0.721	S	S	*	*			cis	-147.7	165.9	17.2	-105.6	-20.8	0	0	0	109.8
1331	H	32.7	Very low	29.1	Very low	147 Å²	147	131.9 Å²	131.9	68%	0.681	72%	0.716	S	S	*	*			cis	-161.7	152.6	4.8	-125.9	-28.1	0	0	0	110.9
1332	S	29.9	Very low	29.2	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	71%	0.707	S	S	*	*			trans	47.4	149	141.4	65.3	0	0	0	0	123.4
1333	S	29.3	Very low	28.9	Very low	111 Å²	111	125.6 Å²	125.6	78%	0.776	70%	0.697	S	S	*	*			cis	-172.3	162.5	-15.4	52.3	0	0	0	0	112.3
1334	T	24.7	Very low	28.3	Very low	126 Å²	126	124.2 Å²	124.2	77%	0.773	69%	0.694	S	S	*	*			trans	-66.5	-176.8	159.8	48.5	0	0	0	0	113.4
1335	P	39.7	Very low	28.2	Very low	103 Å²	103	123.2 Å²	123.2	67%	0.669	69%	0.693	S	S	*	*			cis	-134.5	-163.8	-31.3	29.1	-6	0	0	0	113.1
1336	L	23	Very low	28.3	Very low	146 Å²	146	121.8 Å²	121.8	76%	0.764	70%	0.697	S	S	*	*			trans	63.2	105.3	146.2	-100.5	138.6	0	0	0	119.9
1337	N	25.6	Very low	28.1	Very low	126 Å²	126	119.3 Å²	119.3	67%	0.674	70%	0.697	S	S	*	*				-177.9	156.1	106.3	-112.6	-68.1	0	0	0	114.9
1338	K	29.9	Very low	28.3	Very low	174 Å²	174	121 Å²	121	76%	0.757	70%	0.702	S	S	*	*			trans	55.7	119.6	156.3	-65.3	168.7	-174.1	177.3	0	117
1339	S	26.2	Very low	28.1	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	71%	0.709	S	S	*	*				56.5	140.3	61	86.1	0	0	0	0	112.3
1340	I	27.8	Very low	28.2	Very low	138 Å²	138	121.3 Å²	121.3	71%	0.708	71%	0.711	S	S	*	*				-170.3	154.7	55.6	-141.4	159.3	0	0	0	110
1341	I	31.2	Very low	27.8	Very low	140 Å²	140	120.5 Å²	120.5	72%	0.718	71%	0.714	S	S	*	*			trans	64.2	132.6	162.2	-69.8	171.5	0	0	0	116.7
1342	N	28.3	Very low	27.3	Very low	130 Å²	130	119.3 Å²	119.3	70%	0.695	72%	0.721	S	S	*	*			cis	-153.5	141.9	-10.5	-110.8	2.1	0	0	0	107.6
1343	S	26.6	Very low	27.2	Very low	83 Å²	83	124.2 Å²	124.2	58%	0.58	73%	0.73	S	S	*	*				73.8	142.4	78	109.6	0	0	0	0	113
1344	T	23.4	Very low	26.9	Very low	109 Å²	109	125.6 Å²	125.6	67%	0.669	73%	0.728	S	S	*	*			cis	-169.5	175.6	-1.3	6.5	0	0	0	0	111.2
1345	T	24.7	Very low	26.9	Very low	117 Å²	117	127.6 Å²	127.6	72%	0.718	73%	0.728	S	S	*	*			trans	71.9	158.2	144.7	41.3	0	0	0	0	120.5
1346	T	27.5	Very low	26.1	Very low	131 Å²	131	130 Å²	130	80%	0.804	73%	0.731	S	S	*	*			trans	65.3	141.8	174.9	59	0	0	0	0	116.6
1347	S	23.7	Very low	26.1	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	72%	0.724	S	S	*	*			cis	167.1	159.5	-34.9	44	0	0	0	0	106.5
1348	P	33.7	Very low	26.1	Very low	109 Å²	109	132.3 Å²	132.3	71%	0.708	73%	0.734	S	S	*	*			trans	-92.7	-175.1	-170.3	38.3	-37	0	0	0	113.8
1349	I	22.7	Very low	25.8	Very low	159 Å²	159	133.8 Å²	133.8	82%	0.815	74%	0.736	S	S	*	*			trans	80.7	102	163.9	-52.4	158	0	0	0	116.5
1350	A	29.6	Very low	25.8	Very low	91 Å²	91	135.9 Å²	135.9	75%	0.752	75%	0.745	S	S	*	*			trans	-161.2	97.7	131.9	0	0	0	0	0	108.2
1351	S	23.8	Very low	25.6	Very low	95 Å²	95	133.5 Å²	133.5	66%	0.664	75%	0.746	S	S	*	*				55.3	90.6	81.2	75.7	0	0	0	0	113.1
1352	C	22.5	Very low	25.4	Very low	122 Å²	122	134.1 Å²	134.1	82%	0.824	75%	0.751	S	S	*	*				73.2	103.5	87.4	-72.8	0	0	0	0	115.3
1353	K	26.3	Very low	25.3	Very low	203 Å²	203	133.9 Å²	133.9	88%	0.883	75%	0.749	S	S	*	*			trans	-165.5	128.4	141.2	-103.7	177.1	-177.9	-178.2	0	106.4
1354	L	24.3	Very low	25.2	Very low	140 Å²	140	133.2 Å²	133.2	73%	0.733	74%	0.744	S	S	*	*			cis	54.5	117.5	34.4	-70.3	167.8	0	0	0	112.4
1355	Q	23.9	Very low	25.3	Very low	168 Å²	168	134.2 Å²	134.2	79%	0.785	75%	0.749	S	S	*	*			cis	-160.4	-172.3	1.3	-167.5	168.6	-3.5	0	0	108.3
1356	E	23.2	Very low	25.4	Very low	154 Å²	154	131.4 Å²	131.4	72%	0.72	73%	0.732	S	S	*	*			trans	108.1	108.5	152.7	-64.7	-167.8	-144.8	0	0	118.7
1357	N	23.9	Very low	25.2	Very low	116 Å²	116	130 Å²	130	62%	0.62	72%	0.72	S	S	*	*			trans	68.1	116.7	134.1	-48.1	-22.7	0	0	0	119
1358	F	24.9	Very low	25.3	Very low	203 Å²	203	127.4 Å²	127.4	89%	0.89	70%	0.701	S	S	*	*				-154.9	167	98.3	-112.2	-76.7	0	0	0	112.3
1359	Y	23.2	Very low	25.4	Very low	206 Å²	206	126.4 Å²	126.4	81%	0.808	70%	0.695	S	S	*	*			trans	-89.6	146.9	-174.1	-74.3	-115.6	0	0	0	112.5
1360	V	26.6	Very low	25.6	Very low	137 Å²	137	124.4 Å²	124.4	83%	0.83	69%	0.694	S	S	*	*			trans	-131.4	140.3	134.3	-178.6	0	0	0	0	106.9
1361	A	24.2	Very low	25.4	Very low	89 Å²	89	124.6 Å²	124.6	74%	0.736	69%	0.69	S	S	*	*			trans	-86.7	144.9	-178.3	0	0	0	0	0	111.6
1362	N	25.7	Very low	25.6	Very low	153 Å²	153	127.3 Å²	127.3	82%	0.818	70%	0.696	S	S	*	*			trans	-149.9	178.2	153.7	-144.3	1	0	0	0	113.1
1363	L	27.1	Very low	25.8	Very low	125 Å²	125	129.1 Å²	129.1	65%	0.654	70%	0.697	S	S	*	*			trans	-48.3	148.4	-159.7	-103.9	67	0	0	0	120.7	Q1114	Q1114-L1363 PolarHBondContact NE2-O 2.79Å
1364	S	24.4	Very low	25.7	Very low	68 Å²	68	122.9 Å²	122.9	48%	0.476	69%	0.69	S	S	.	*			trans	34.6	110.1	148.8	51.1	0	0	0	0	121.7	Q1114	Q1114-S1364 PolarHBondContact NE2-O 3.47Å
1365	V	25	Very low	25.9	Very low	130 Å²	130	128.3 Å²	128.3	79%	0.788	70%	0.701	S	S	*	*			trans	-22.6	144.3	133.4	-110.7	0	0	0	0	113.5
1366	V	27.6	Very low	25.9	Very low	59 Å²	59	127.5 Å²	127.5	36%	0.358	70%	0.702	S	S	.	*			cis	-144.5	-176.7	35.8	-141.1	0	0	0	0	113.7	D1111 N1112 S1113	D1111-V1366 HydrophobicContact CB-CB 3.63Å; D1111-V1366 HydrophobicContact CB-CG1 3.5Å; D1111-V1366 VanDerWaalsContact CB-CG1 3.5Å; D1111-V1366 HydrophobicContact CB-CG2 4.27Å; N1112-V1366 HydrophobicContact CB-CG2 4.21Å; N1112-V1366 WeakPolarHBondContact O-CB 3.33Å; N1112-V1366 WeakPolarHBondContact O-CG2 3.45Å; N1112-V1366 PolarHBondContact O-N 2.83Å; S1113-V1366 VanDerWaalsContact CA-O 3.23Å; S1113-V1366 WeakPolarHBondContact CA-O 3.44Å; S1113-V1366 WeakPolarHBondContact CB-O 3.46Å
1367	D	23.4	Very low	26.2	Very low	102 Å²	102	127 Å²	127	55%	0.545	70%	0.699	S	S	.	*			trans	-58.2	171.6	160.3	-85.6	-82.4	0	0	0	111.9	D1111 N1112 S1113	D1111-D1367 CarbonylContact C-O 3.48Å; D1111-D1367 WeakPolarHBondContact CA-O 3.13Å; D1111-D1367 HydrophobicContact CB-CB 4.36Å; D1111-D1367 WeakPolarHBondContact CB-O 3.29Å; N1112-D1367 CarbonylContact C-O 3.5Å; N1112-D1367 PolarHBondContact N-O 2.8Å; N1112-D1367 VanDerWaalsContact N-O 3.07Å; S1113-D1367 PolarHBondContact N-O 3.48Å
1368	S	25.9	Very low	26.4	Very low	46 Å²	46	130.7 Å²	130.7	32%	0.322	71%	0.705	S	S	.	*			cis	77.4	162	26	123	0	0	0	0	115.1	S1110 D1111	S1110-S1368 CarbonylContact C-O 3.51Å; S1110-S1368 VanDerWaalsContact CA-O 3.22Å; S1110-S1368 WeakPolarHBondContact CA-O 2.94Å; S1110-S1368 VanDerWaalsContact CB-O 3.24Å; S1110-S1368 WeakPolarHBondContact CB-O 3.49Å; D1111-S1368 PolarHBondContact N-O 3.19Å
1369	P	34.3	Very low	26.5	Very low	88 Å²	88	126.5 Å²	126.5	57%	0.571	70%	0.696	S	S	*	*			cis	-119.1	-159	-12.6	35.2	-14.7	0	0	0	110.5	S1110	S1110-P1369 VanDerWaalsContact CB-O 3.28Å; S1110-P1369 WeakPolarHBondContact CB-O 3.22Å
1370	C	27	Very low	26.7	Very low	117 Å²	117	123.7 Å²	123.7	79%	0.791	70%	0.695	S	S	*	*			cis	-159.4	-170.2	17	-151.1	0	0	0	0	107.6
1371	S	27	Very low	26.6	Very low	96 Å²	96	122.9 Å²	122.9	67%	0.671	69%	0.686	S	S	*	*			cis	-165.2	-167.7	20.4	61.2	0	0	0	0	109.4
1372	L	27.2	Very low	26.7	Very low	152 Å²	152	127.1 Å²	127.1	80%	0.796	68%	0.683	S	S	*	*			cis	-152.7	-153.2	13.3	-134.7	-161.3	0	0	0	111.6
1373	L	25.8	Very low	26.7	Very low	160 Å²	160	127.2 Å²	127.2	84%	0.838	68%	0.678	S	S	*	*			trans	-83.1	156.9	-175.3	-66.5	156.5	0	0	0	114.8
1374	G	25.9	Very low	26.7	Very low	72 Å²	72	128.4 Å²	128.4	74%	0.742	68%	0.678	S	S	*	*			cis	141.7	159.4	-3.5	0	0	0	0	0	113.8
1375	R	27.5	Very low	27	Very low	253 Å²	253	130.9 Å²	130.9	96%	0.955	69%	0.692	S	S	*	*			trans	-151.5	145.7	166	-151.9	171.4	-169.9	164.2	3.9	112.2
1376	N	24.4	Very low	27	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	69%	0.691	S	S	*	*			trans	-85.5	156	-179.5	-56.1	-56.4	0	0	0	112
1377	E	29.8	Very low	27.1	Very low	143 Å²	143	136.2 Å²	136.2	67%	0.668	71%	0.713	S	S	*	*				-177.2	136.6	103.2	-96.6	-160	-164.7	0	0	116.5
1378	R	26.8	Very low	27.2	Very low	194 Å²	194	140.7 Å²	140.7	73%	0.732	72%	0.724	S	S	*	*			trans	58	119.5	136	-68.7	-168.2	174.9	118.3	-0.8	124
1379	V	28	Very low	27.2	Very low	116 Å²	116	144.2 Å²	144.2	70%	0.703	74%	0.739	S	S	*	*				97.1	127	115.1	168.2	0	0	0	0	122.2
1380	N	26.9	Very low	27	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	75%	0.746	S	S	*	*			trans	76.6	94.3	151.7	-71.7	-0.7	0	0	0	125.4
1381	N	24.1	Very low	27	Very low	120 Å²	120	148 Å²	148	64%	0.642	74%	0.739	S	S	*	*				-36.3	166.9	125.5	-71.7	-88.5	0	0	0	115.8
1382	R	26.9	Very low	27.1	Very low	178 Å²	178	148.8 Å²	148.8	67%	0.672	74%	0.739	S	S	*	*			cis	-139.1	-120.7	4	-155.4	153.2	-84.5	-178.4	-7.3	113.6
1383	Q	26.3	Very low	27.2	Very low	155 Å²	155	149.3 Å²	149.3	72%	0.724	74%	0.738	S	S	*	*			cis	-143.1	-139.9	11	-156.5	64.2	-87.1	0	0	113.3
1384	F	27.4	Very low	27.3	Very low	150 Å²	150	150.6 Å²	150.6	66%	0.658	74%	0.736	S	S	*	*			trans	-151.4	172.8	-164.4	-83.8	-99.7	0	0	0	109.9
1385	P	29.2	Very low	27.3	Very low	119 Å²	119	155.1 Å²	155.1	77%	0.773	74%	0.736	S	S	*	*				-131.7	154.4	107	38	-30.8	0	0	0	112.6
1386	L	25.9	Very low	27.6	Very low	144 Å²	144	147.4 Å²	147.4	75%	0.754	72%	0.718	S	S	*	*			cis	81.4	120.8	22.7	-75.7	172.2	0	0	0	117.9
1387	L	28.9	Very low	27.9	Very low	158 Å²	158	145.5 Å²	145.5	83%	0.827	71%	0.708	S	S	*	*			trans	-172.8	116.1	131.2	-98.7	159.5	0	0	0	111.5
1388	Y	25.6	Very low	27.9	Very low	196 Å²	196	142.6 Å²	142.6	77%	0.769	70%	0.695	S	S	*	*				47.6	148.8	128.2	-85.2	-109.9	0	0	0	121.9
1389	N	27	Very low	28.1	Very low	119 Å²	119	138.3 Å²	138.3	64%	0.636	68%	0.681	S	S	*	*			cis	-163.8	140.1	40.4	-158.1	2.7	0	0	0	113.7
1390	K	29.3	Very low	27.8	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.717	69%	0.689	S	S	*	*			trans	52.2	156.4	149.4	-78.8	174.2	168.1	-141.3	0	122.8
1391	D	27.3	Very low	27.8	Very low	120 Å²	120	141.4 Å²	141.4	64%	0.642	68%	0.679	S	S	*	*			cis	-155.5	163.9	0.5	-125.2	-32.2	0	0	0	114.8
1392	V	29.7	Very low	28.5	Very low	113 Å²	113	141 Å²	141	69%	0.685	68%	0.683	S	S	*	*			trans	56.9	108.8	156.6	-173.9	0	0	0	0	124.8
1393	Q	27.7	Very low	28.5	Very low	163 Å²	163	139 Å²	139	76%	0.762	68%	0.684	S	S	*	*				27.3	150.7	128.1	-42.8	-178.8	6	0	0	123.2
1394	K	28.9	Very low	28.7	Very low	186 Å²	186	138.3 Å²	138.3	81%	0.809	68%	0.681	S	S	*	*			cis	-150	168.6	37.5	-82.9	-174.3	176.6	178	0	116.8
1395	F	26.1	Very low	28.8	Very low	168 Å²	168	138.6 Å²	138.6	74%	0.737	68%	0.682	S	S	*	*			trans	-81	-170.5	173.1	-79.5	-92.4	0	0	0	114.2
1396	P	33.7	Very low	28.7	Very low	90 Å²	90	141.1 Å²	141.1	58%	0.584	68%	0.683	S	S	*	*			cis	-124.3	-158.3	-0.4	46.6	-30.9	0	0	0	112.3	N1581	P1396-N1581 VanDerWaalsContact CA-ND2 3.32Å; P1396-N1581 WeakPolarHBondContact CA-ND2 3.26Å; P1396-N1581 WeakPolarHBondContact O-CB 3.4Å; P1396-N1581 PolarHBondContact O-ND2 3.48Å; P1396-N1581 VanDerWaalsContact O-ND2 3.17Å
1397	N	29.9	Very low	28.8	Very low	111 Å²	111	138.5 Å²	138.5	59%	0.594	68%	0.677	S	S	*	*			cis	-114.2	157.7	-14.1	-68.5	-48.4	0	0	0	110.4	N1581 Q1582	N1397-N1581 VanDerWaalsContact C-CG 3.42Å; N1397-N1581 PolarHBondContact N-ND2 3.5Å; N1397-N1581 CarbonylContact O-C 3.53Å; N1397-N1581 WeakPolarHBondContact O-CA 3.39Å; N1397-N1581 WeakPolarHBondContact O-CB 3.23Å; N1397-N1581 PolarHBondContact O-OD1 2.8Å; N1397-Q1582 WeakPolarHBondContact O-CB 3.29Å; N1397-Q1582 PolarHBondContact O-N 3.31Å; N1397-Q1582 PolarHBondContact O-OE1 2.87Å
1398	Q	31.2	Very low	28.8	Very low	82 Å²	82	137.9 Å²	137.9	38%	0.383	67%	0.673	S	S	.	*			trans	-140.6	129.1	-160.6	-170	-163.5	73.4	0	0	116.7	N1581 Q1582	Q1398-N1581 WeakPolarHBondContact CB-OD1 3.21Å; Q1398-N1581 VanDerWaalsContact CG-OD1 3.31Å; Q1398-N1581 WeakPolarHBondContact CG-OD1 3.15Å; Q1398-Q1582 VanDerWaalsContact C-OE1 3.3Å
1399	K	29.5	Very low	28.9	Very low	104 Å²	104	135.8 Å²	135.8	45%	0.452	68%	0.675	S	S	.	*			trans	144	145.6	141.2	-79.6	156.2	-154.2	85.1	0	117.5	L1401 Q1582	K1399-L1401 HydrophobicContact CB-CB 4.23Å; K1399-L1401 HydrophobicContact CD-CB 3.94Å; K1399-L1401 HydrophobicContact CD-CD1 3.89Å; K1399-L1401 HydrophobicContact CG-CB 3.97Å; K1399-L1401 HydrophobicContact CG-CD1 4.05Å; K1399-Q1582 PolarHBondContact O-NE2 2.82Å
1400	Y	23.1	Very low	28.9	Very low	218 Å²	218	138.9 Å²	138.9	86%	0.855	69%	0.685	S	S	*	*				-96.2	138.1	114.7	-114.3	-82.6	0	0	0	109
1401	L	27	Very low	29.1	Very low	111 Å²	111	133.3 Å²	133.3	58%	0.581	67%	0.665	S	S	*	*			trans	-160.5	123.6	170.5	-140.1	157.3	0	0	0	109.5	K1399 I1403	K1399-L1401 HydrophobicContact CB-CB 4.23Å; K1399-L1401 HydrophobicContact CD-CB 3.94Å; K1399-L1401 HydrophobicContact CD-CD1 3.89Å; K1399-L1401 HydrophobicContact CG-CB 3.97Å; K1399-L1401 HydrophobicContact CG-CD1 4.05Å; L1401-I1403 HydrophobicContact CD2-CD1 4.41Å
1402	P	37.3	Very low	29	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	68%	0.678	S	S	*	*			trans	-88.9	-176.7	176.4	38.8	-38.3	0	0	0	111.3
1403	I	27.2	Very low	29	Very low	135 Å²	135	136.8 Å²	136.8	69%	0.692	68%	0.676	S	S	*	*			trans	-169.3	138.5	146.4	-113	155.7	0	0	0	114.8	L1401	L1401-I1403 HydrophobicContact CD2-CD1 4.41Å
1404	E	30.3	Very low	29	Very low	140 Å²	140	136.8 Å²	136.8	65%	0.654	67%	0.674	S	S	*	*			trans	68.5	151	154.9	-67.7	-176.9	-178.4	0	0	121.2
1405	K	29.2	Very low	29	Very low	156 Å²	156	137.6 Å²	137.6	68%	0.678	67%	0.672	S	S	*	*			cis	-158.3	176.2	-12.9	-122.9	164	-162.1	154.1	0	112.9
1406	H	28.5	Very low	29.1	Very low	173 Å²	173	135 Å²	135	80%	0.801	67%	0.665	S	S	*	*			trans	-40	161.7	170.8	-66.4	-74.9	0	0	0	118.2
1407	S	28.3	Very low	28.8	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	67%	0.669	S	S	*	*			cis	179.8	157.5	-19.7	60	0	0	0	0	113.3
1408	I	28.6	Very low	28.8	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	67%	0.666	S	S	*	*			trans	87.3	118.2	151.2	-71.8	161.6	0	0	0	120.9
1409	N	26.6	Very low	28.8	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	69%	0.687	S	S	*	*			trans	90.6	144.7	147.7	-79.4	-1.9	0	0	0	125.3
1410	Q	27.5	Very low	28.6	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	71%	0.71	S	S	*	*			trans	61.5	117.7	177.5	-67.7	-166.9	-7	0	0	118.9
1411	T	33	Very low	28.9	Very low	48 Å²	48	142.5 Å²	142.5	29%	0.294	71%	0.708	S	S	.	*			trans	-157.2	98.7	147.1	-39	0	0	0	0	111.6	S1102 L1103 S1104	S1102-T1411 WeakPolarHBondContact CA-OG1 3.23Å; L1103-T1411 VanDerWaalsContact C-CB 3.47Å; L1103-T1411 PolarHBondContact N-OG1 3.39Å; L1103-T1411 WeakPolarHBondContact O-CB 3.5Å; L1103-T1411 PolarHBondContact O-OG1 3.29Å; S1104-T1411 WeakPolarHBondContact CB-O 3.42Å
1412	L	26.2	Very low	28.8	Very low	173 Å²	173	145.8 Å²	145.8	91%	0.906	72%	0.72	S	S	*	*	S	Bend	trans	-76.6	160.9	142.5	-151.6	80.2	0	0	0	107.8
1413	M	28.2	Very low	28.3	Very low	132 Å²	132	147 Å²	147	65%	0.65	72%	0.719	S	S	*	*	S	Bend	trans	-49.8	136.7	-154.9	-71.1	-157.2	-175.7	0	0	118.8
1414	K	28.1	Very low	28.2	Very low	164 Å²	164	145.6 Å²	145.6	71%	0.713	72%	0.717	S	S	*	*			trans	62.5	91.3	139.4	-63.7	171	-178.8	172.9	0	119.8
1415	R	28.7	Very low	28	Very low	203 Å²	203	145.6 Å²	145.6	77%	0.766	72%	0.721	S	S	*	*				46	115.1	111.5	-155.6	177.4	-160.1	168.9	9.2	116.3
1416	N	28.2	Very low	27.9	Very low	112 Å²	112	146 Å²	146	60%	0.599	73%	0.726	S	S	*	*			cis	-166.2	167.9	39.8	-137.2	38	0	0	0	113.9
1417	D	29	Very low	27.9	Very low	125 Å²	125	144.3 Å²	144.3	67%	0.668	72%	0.722	S	S	*	*			trans	74	173.8	154.4	-53.6	-35.3	0	0	0	122.4
1418	Y	29.7	Very low	27.6	Very low	135 Å²	135	145.1 Å²	145.1	53%	0.529	73%	0.728	S	S	.	*			trans	-132.4	169.7	-141.4	-90.3	-92.9	0	0	0	116.5	T1099	T1099-Y1418 WeakPolarHBondContact CB-OH 3.43Å; T1099-Y1418 HydrophobicContact CG2-CE1 4.09Å; T1099-Y1418 WeakPolarHBondContact CG2-OH 3.47Å
1419	H	31.4	Very low	27.9	Very low	178 Å²	178	143.3 Å²	143.3	82%	0.824	73%	0.726	S	S	*	*			trans	102.7	103.5	161.2	-80.3	-80.4	0	0	0	120.8
1420	R	25	Very low	27.7	Very low	247 Å²	247	140.1 Å²	140.1	93%	0.932	72%	0.721	S	S	*	*			trans	30.5	107	132.6	-174.9	-170.5	-92.5	-165.6	-7	118.3
1421	G	28.2	Very low	27.7	Very low	78 Å²	78	137.9 Å²	137.9	80%	0.804	72%	0.72	S	S	*	*			trans	-167.1	152.5	163.3	0	0	0	0	0	111
1422	E	25.7	Very low	27.4	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	74%	0.738	S	S	*	*			trans	-100	143.8	-164.8	-76.7	171.7	118.8	0	0	115.6
1423	I	26.2	Very low	27.3	Very low	137 Å²	137	138.4 Å²	138.4	70%	0.703	73%	0.726	S	S	*	*			trans	73.4	137	134.6	-67.2	170.5	0	0	0	121.2
1424	T	26.1	Very low	27.5	Very low	105 Å²	105	137.8 Å²	137.8	64%	0.644	73%	0.732	S	S	*	*			trans	60.9	108.9	161.3	57.2	0	0	0	0	122.6
1425	D	26	Very low	27.5	Very low	141 Å²	141	137 Å²	137	75%	0.754	73%	0.729	S	S	*	*				74.2	135.5	109.5	-50.2	-19.2	0	0	0	125.1
1426	E	26.1	Very low	27.4	Very low	164 Å²	164	133.3 Å²	133.3	77%	0.766	72%	0.724	S	S	*	*			trans	88.1	141	132.5	-94.5	-174.3	-149.2	0	0	125
1427	N	28.4	Very low	27.3	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	72%	0.721	S	S	*	*			trans	78.5	129.1	147.8	-62.6	-30.3	0	0	0	124.1
1428	S	22.6	Very low	27.2	Very low	106 Å²	106	136 Å²	136	74%	0.741	73%	0.725	S	S	*	*			trans	-95.5	-164.4	158.1	64.9	0	0	0	0	108.6
1429	P	34.9	Very low	26.8	Very low	108 Å²	108	136.4 Å²	136.4	70%	0.701	73%	0.732	S	S	*	*			cis	-138.8	168.4	-8.5	40.1	-21.6	0	0	0	116.9
1430	A	23.4	Very low	26.4	Very low	85 Å²	85	134.8 Å²	134.8	70%	0.702	73%	0.728	S	S	*	*			trans	56.9	166	137.2	0	0	0	0	0	125.2
1431	T	26.3	Very low	26.4	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	72%	0.723	S	S	*	*			trans	80.9	151.6	159.2	66.8	0	0	0	0	120.9
1432	S	26.2	Very low	26.3	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	72%	0.722	S	S	*	*			cis	-174.6	155.4	-32.2	63.4	0	0	0	0	114.7
1433	M	24.6	Very low	26.2	Very low	136 Å²	136	137 Å²	137	67%	0.67	72%	0.716	S	S	*	*			trans	67.1	174.9	138.8	-100.7	168.7	-171.7	0	0	119.9	K1435	M1433-K1435 HydrophobicContact CE-CD 4.12Å; M1433-K1435 HydrophobicContact CE-CG 4.03Å; M1433-K1435 HydrophobicContact CG-CG 4.28Å; M1433-K1435 HydrophobicContact SD-CD 3.48Å; M1433-K1435 WeakPolarHBondContact SD-CD 3.23Å; M1433-K1435 HydrophobicContact SD-CG 3.74Å
1434	P	32.4	Very low	26.2	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	72%	0.72	S	S	*	*			cis	-109.3	173.2	23.8	44.3	-36.2	0	0	0	116.2
1435	K	27.5	Very low	26.1	Very low	148 Å²	148	141.4 Å²	141.4	64%	0.643	73%	0.731	S	S	*	*			cis	77.8	156.2	23.9	-85.3	-173.6	172.9	176.7	0	116.1	M1433	M1433-K1435 HydrophobicContact CE-CD 4.12Å; M1433-K1435 HydrophobicContact CE-CG 4.03Å; M1433-K1435 HydrophobicContact CG-CG 4.28Å; M1433-K1435 HydrophobicContact SD-CD 3.48Å; M1433-K1435 WeakPolarHBondContact SD-CD 3.23Å; M1433-K1435 HydrophobicContact SD-CG 3.74Å
1436	N	28.4	Very low	25.8	Very low	125 Å²	125	137.5 Å²	137.5	67%	0.668	72%	0.724	S	S	*	*			cis	-143.5	-162.1	6.9	-131.2	1.6	0	0	0	108.6
1437	L	24.7	Very low	25.7	Very low	100 Å²	100	137.8 Å²	137.8	52%	0.524	73%	0.73	S	S	.	*			cis	-162.3	-173.9	6.6	-136.7	175.8	0	0	0	109.2
1438	Y	26.8	Very low	25.4	Very low	194 Å²	194	134.8 Å²	134.8	76%	0.761	72%	0.72	S	S	*	*			trans	68.5	121.1	167.9	-60.3	-66.6	0	0	0	118.9
1439	E	22.1	Very low	25.5	Very low	144 Å²	144	137.1 Å²	137.1	67%	0.673	72%	0.719	S	S	*	*			cis	101.6	125.6	14.1	-67.3	-159.2	114.1	0	0	118.7
1440	L	22.9	Very low	25.1	Very low	143 Å²	143	137.3 Å²	137.3	75%	0.749	71%	0.714	S	S	*	*			trans	58.3	122.6	143.6	-63.7	166.3	0	0	0	120.8
1441	R	24.7	Very low	25.3	Very low	220 Å²	220	139.3 Å²	139.3	83%	0.83	71%	0.708	S	S	*	*				172.2	140.9	103.9	-92.2	-174.1	-177.7	-164.3	0.4	113.3
1442	Y	25.5	Very low	25.3	Very low	198 Å²	198	141.5 Å²	141.5	78%	0.776	71%	0.707	S	S	*	*			trans	50.2	157.1	140.2	-76.7	-116.9	0	0	0	120.8
1443	N	24.8	Very low	25.2	Very low	135 Å²	135	142 Å²	142	72%	0.722	71%	0.71	S	S	*	*			cis	-167.1	168.2	-39.2	-117.2	1.6	0	0	0	107.5
1444	Q	24.8	Very low	25.2	Very low	166 Å²	166	139 Å²	139	78%	0.776	71%	0.714	S	S	*	*			trans	-77.4	168.8	-176	-51.7	165.8	-77.3	0	0	114.3
1445	L	24.1	Very low	24.8	Very low	169 Å²	169	142.1 Å²	142.1	89%	0.885	72%	0.718	S	S	*	*			trans	78.5	148.5	151.4	-71.4	156.3	0	0	0	119
1446	G	21.8	Very low	24.6	Very low	58 Å²	58	138.9 Å²	138.9	60%	0.598	72%	0.719	S	S	*	*			trans	129.2	69.6	-157.2	0	0	0	0	0	108.5
1447	L	23.3	Very low	24.4	Very low	170 Å²	170	135.6 Å²	135.6	89%	0.89	70%	0.701	S	S	*	*				69.8	135.3	91.7	-66.7	168.4	0	0	0	112.1
1448	S	21.7	Very low	24.4	Very low	75 Å²	75	135.2 Å²	135.2	52%	0.524	71%	0.707	S	S	.	*			cis	-165.3	-176.6	-7.7	50.4	0	0	0	0	108.5
1449	H	25.5	Very low	24.4	Very low	155 Å²	155	130.2 Å²	130.2	72%	0.718	69%	0.694	S	S	*	*			trans	69.6	150.9	173.6	-55.8	-54.3	0	0	0	114.2
1450	N	25.7	Very low	24.5	Very low	112 Å²	112	128 Å²	128	60%	0.599	68%	0.683	S	S	*	*			cis	174.1	162.5	-6.9	-97	4.2	0	0	0	101.7
1451	Q	26.7	Very low	24.6	Very low	127 Å²	127	128 Å²	128	59%	0.593	68%	0.683	S	S	*	*			cis	-171	149.2	-5.2	-116.4	167.2	-37.7	0	0	106.8
1452	F	26.4	Very low	24.6	Very low	182 Å²	182	126.1 Å²	126.1	80%	0.798	68%	0.684	S	S	*	*			trans	59.3	163.9	162.5	-57.5	-57.1	0	0	0	115.7
1453	S	25.3	Very low	24.5	Very low	106 Å²	106	120.9 Å²	120.9	74%	0.741	68%	0.676	S	S	*	*			cis	-165.2	135	-26.9	44.1	0	0	0	0	103.9
1454	G	25.2	Very low	24.5	Very low	73 Å²	73	122.1 Å²	122.1	75%	0.753	68%	0.681	S	S	*	*				80.7	138.6	86.5	0	0	0	0	0	111.9
1455	E	23.1	Very low	24.6	Very low	184 Å²	184	119 Å²	119	86%	0.86	68%	0.678	S	S	*	*			cis	-167.8	148.2	-2.5	-161.5	160.3	-133.1	0	0	110.8
1456	A	23.6	Very low	24.9	Very low	80 Å²	80	116.1 Å²	116.1	66%	0.661	67%	0.669	S	S	*	*			trans	60.2	175.6	176.8	0	0	0	0	0	114.8
1457	L	24	Very low	25	Very low	56 Å²	56	121.5 Å²	121.5	29%	0.293	68%	0.679	S	S	.	*			cis	-154.5	149.4	29.2	-70.2	141.4	0	0	0	112	Y1833 I1834 N1835	L1457-Y1833 HydrophobicContact CB-CD1 3.61Å; L1457-Y1833 HydrophobicContact CB-CD2 4.37Å; L1457-Y1833 HydrophobicContact CB-CE1 4.06Å; L1457-Y1833 HydrophobicContact CB-CG 3.77Å; L1457-Y1833 HydrophobicContact CD1-CD2 3.84Å; L1457-Y1833 HydrophobicContact CD1-CG 3.83Å; L1457-Y1833 HydrophobicContact CG-CG 4.41Å; L1457-Y1833 WeakPolarHBondContact O-CD1 3.16Å; L1457-Y1833 WeakPolarHBondContact O-CE1 3.18Å; L1457-I1834 HydrophobicContact CD1-CD1 4.05Å; L1457-I1834 HydrophobicContact CD1-CG1 3.88Å; L1457-I1834 HydrophobicContact CD2-CB 4.37Å; L1457-I1834 HydrophobicContact CD2-CD1 3.97Å; L1457-I1834 HydrophobicContact CD2-CG1 3.83Å; L1457-I1834 HydrophobicContact CD2-CG2 4.19Å; L1457-I1834 HydrophobicContact CG-CG1 4.33Å; L1457-N1835 VanDerWaalsContact CA-OD1 3.27Å; L1457-N1835 WeakPolarHBondContact CA-OD1 3.28Å; L1457-N1835 WeakPolarHBondContact CB-OD1 3.24Å; L1457-N1835 HydrophobicContact CD2-CB 4.13Å; L1457-N1835 VanDerWaalsContact CD2-OD1 3.32Å; L1457-N1835 WeakPolarHBondContact CD2-OD1 3.36Å
1458	S	24.6	Very low	25.2	Very low	92 Å²	92	118.6 Å²	118.6	64%	0.643	67%	0.668	S	S	*	*			trans	174.4	116.6	151.9	56.7	0	0	0	0	111.9	N1835	S1458-N1835 PolarHBondContact N-OD1 3.07Å
1459	D	25.8	Very low	25.5	Very low	90 Å²	90	122.9 Å²	122.9	48%	0.481	69%	0.685	S	S	.	*			trans	-172.2	171.4	159.2	-113	-43.8	0	0	0	113.4	N1835 N1837	D1459-N1835 CarbonylContact O-C 3.28Å; D1459-N1835 WeakPolarHBondContact O-CA 3.18Å; D1459-N1835 PolarHBondContact O-N 3.16Å; D1459-N1837 VanDerWaalsContact CG-ND2 3.35Å; D1459-N1837 PolarHBondContact OD2-ND2 2.82Å
1460	E	24.9	Very low	25.4	Very low	98 Å²	98	120.5 Å²	120.5	46%	0.458	69%	0.686	S	S	.	*			trans	79.3	106.7	162.8	-153.1	158.8	-121.9	0	0	122.1	N1836 N1837 S1838	E1460-N1836 PolarHBondContact OE2-N 2.77Å; E1460-N1837 WeakPolarHBondContact OE1-CA 3.12Å; E1460-N1837 PolarHBondContact OE1-N 3.5Å; E1460-N1837 PolarHBondContact OE2-N 2.86Å; E1460-S1838 PolarHBondContact OE1-N 2.92Å
1461	L	25.3	Very low	25.8	Very low	142 Å²	142	120.1 Å²	120.1	74%	0.743	69%	0.689	S	S	*	*			trans	42.2	155.4	132.1	-64.3	169.7	0	0	0	124.6
1462	Q	25.7	Very low	25.8	Very low	180 Å²	180	121.5 Å²	121.5	84%	0.841	70%	0.699	S	S	*	*			trans	68.3	147	168.6	-63.7	-177.8	23.8	0	0	116.7
1463	S	23.4	Very low	25.9	Very low	88 Å²	88	118.7 Å²	118.7	62%	0.615	70%	0.697	S	S	*	*			cis	167.7	146.3	-44.4	49.1	0	0	0	0	107.3
1464	I	24.8	Very low	25.9	Very low	161 Å²	161	118 Å²	118	83%	0.826	69%	0.692	S	S	*	*			trans	82.7	127.1	167.3	-57.7	158.9	0	0	0	116.3
1465	S	25.9	Very low	26	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	69%	0.692	S	S	*	*			trans	-57.9	176	169.6	44.3	0	0	0	0	113.4
1466	P	30.1	Very low	26.3	Very low	108 Å²	108	120 Å²	120	70%	0.701	69%	0.685	S	S	*	*			cis	-153.6	-179.3	34.8	44.9	-22.2	0	0	0	119.7
1467	E	24.6	Very low	26.5	Very low	172 Å²	172	122.3 Å²	122.3	80%	0.804	69%	0.691	S	S	*	*			trans	35.9	151.4	137.8	-68	-173.4	176.1	0	0	122.8
1468	T	27.1	Very low	27.1	Very low	109 Å²	109	125.1 Å²	125.1	67%	0.669	71%	0.713	S	S	*	*			cis	-156.3	153.2	2.9	6	0	0	0	0	110.1
1469	N	29.1	Very low	27.3	Very low	165 Å²	165	128.6 Å²	128.6	88%	0.882	72%	0.722	S	S	*	*			trans	-176	157.8	130.1	-101.1	-56.2	0	0	0	112.8
1470	S	22.1	Very low	27.5	Very low	104 Å²	104	130 Å²	130	73%	0.727	74%	0.736	S	S	*	*			trans	-125.8	-170.3	-171.9	66.3	0	0	0	0	110.2
1471	P	33.3	Very low	27.5	Very low	104 Å²	104	132.8 Å²	132.8	68%	0.675	75%	0.753	S	S	*	*			cis	-140.9	-158.9	6.5	32.4	-5.9	0	0	0	115.6
1472	I	28.1	Very low	27.6	Very low	156 Å²	156	133.1 Å²	133.1	80%	0.8	75%	0.754	S	S	*	*			trans	85.2	138.9	164.6	-51.8	171.5	0	0	0	116.3
1473	V	27.1	Very low	27.5	Very low	123 Å²	123	134.4 Å²	134.4	75%	0.745	75%	0.751	S	S	*	*			cis	-171.7	140.4	-44.6	129.5	0	0	0	0	110.4
1474	S	25.4	Very low	27.6	Very low	92 Å²	92	134.6 Å²	134.6	64%	0.643	75%	0.752	S	S	*	*			trans	59.6	159.8	164.9	81.1	0	0	0	0	120
1475	H	28	Very low	27.5	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.745	75%	0.752	S	S	*	*			cis	-144.7	138.9	9	-99.1	-67.7	0	0	0	114.6
1476	L	28.6	Very low	27.7	Very low	137 Å²	137	138.5 Å²	138.5	72%	0.717	76%	0.761	S	S	*	*			trans	65.6	108.9	136.2	-63.7	168.9	0	0	0	125.5
1477	T	28	Very low	27.5	Very low	129 Å²	129	142.5 Å²	142.5	79%	0.791	77%	0.772	S	S	*	*				88.9	146.8	125.7	54.2	0	0	0	0	124
1478	P	38.3	Very low	27.5	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	77%	0.774	S	S	*	*			trans	-139.6	-174.9	-150.4	43.7	-23.7	0	0	0	117.1
1479	I	27.1	Very low	27.6	Very low	166 Å²	166	139.5 Å²	139.5	85%	0.851	78%	0.778	S	S	*	*			trans	-169.9	145.9	134.6	-101	156.2	0	0	0	111.1
1480	P	29.9	Very low	27.4	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	78%	0.777	S	S	*	*			trans	-128.4	-175.3	-165.5	44	-28.6	0	0	0	116.8
1481	I	26.5	Very low	27.5	Very low	158 Å²	158	138.7 Å²	138.7	81%	0.81	78%	0.78	S	S	*	*			trans	-150.3	139.1	178.9	-91.5	172.4	0	0	0	105.3
1482	I	26.6	Very low	27.1	Very low	149 Å²	149	139.2 Å²	139.2	76%	0.764	78%	0.783	S	S	*	*			cis	-154.9	-158.5	-1.1	-163.1	142.9	0	0	0	106.1
1483	R	24	Very low	26.9	Very low	207 Å²	207	138 Å²	138	78%	0.781	78%	0.778	S	S	*	*			cis	-170.2	156.6	22.9	-161.6	-169.3	-177.8	-171.3	0.6	112.7
1484	S	24.7	Very low	26.7	Very low	91 Å²	91	138.3 Å²	138.3	64%	0.636	78%	0.775	S	S	*	*			trans	66.1	129.1	152.7	40.5	0	0	0	0	122
1485	N	23.6	Very low	26.7	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	78%	0.777	S	S	*	*			trans	89.3	146.2	159.5	-62.6	3.5	0	0	0	119.4
1486	E	28.7	Very low	26.4	Very low	189 Å²	189	141 Å²	141	88%	0.883	78%	0.775	S	S	*	*			trans	54.3	102	179	-54.8	-169.3	167.4	0	0	116.3
1487	M	27	Very low	26.3	Very low	191 Å²	191	141.2 Å²	141.2	94%	0.941	78%	0.776	S	S	*	*			cis	88.4	71.3	48.2	-72.1	-162.8	142.7	0	0	117.7
1488	A	23.4	Very low	26.2	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	77%	0.767	S	S	*	*			trans	71.9	168.1	148.7	0	0	0	0	0	117.8
1489	P	30	Very low	25.5	Very low	117 Å²	117	139.4 Å²	139.4	76%	0.76	77%	0.771	S	S	*	*			cis	-130.4	153.7	-2.6	39.6	-24.3	0	0	0	116.5
1490	S	26	Very low	25.4	Very low	122 Å²	122	137 Å²	137	85%	0.853	77%	0.767	S	S	*	*				170.3	147.8	128.8	45.9	0	0	0	0	115.5
1491	T	23.1	Very low	25.2	Very low	130 Å²	130	137.6 Å²	137.6	80%	0.798	76%	0.764	S	S	*	*			trans	-41.2	163.9	175.4	48.5	0	0	0	0	119.1
1492	P	24.8	Very low	25.3	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	76%	0.755	S	S	*	*			cis	-146	160.9	28.2	41.2	-20.8	0	0	0	121.1
1493	L	23.8	Very low	25.2	Very low	130 Å²	130	140.5 Å²	140.5	68%	0.681	76%	0.764	S	S	*	*			trans	29.9	119.4	144.7	-61.9	172.2	0	0	0	124.4
1494	L	23.8	Very low	25.2	Very low	130 Å²	130	138.1 Å²	138.1	68%	0.681	76%	0.759	S	S	*	*			trans	56.5	115.5	130.3	-66.7	172.3	0	0	0	122.1
1495	L	24.4	Very low	25.2	Very low	133 Å²	133	142.3 Å²	142.3	70%	0.696	77%	0.766	S	S	*	*				-170.2	116.1	97.4	-97.2	165.3	0	0	0	113.5	T1799	L1495-T1799 HydrophobicContact CD1-CG2 4.03Å
1496	Y	23.2	Very low	25.1	Very low	178 Å²	178	139.8 Å²	139.8	70%	0.698	76%	0.761	S	S	*	*				22.5	116.9	127	-91.8	-94.7	0	0	0	121
1497	N	26.4	Very low	24.9	Very low	140 Å²	140	136.9 Å²	136.9	75%	0.749	76%	0.756	S	S	*	*				-173.9	137.5	94.8	-87.9	-45.6	0	0	0	109.1
1498	S	24.5	Very low	24.8	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	74%	0.742	S	S	*	*			cis	88.2	100	36.6	102.5	0	0	0	0	114.9
1499	C	25.1	Very low	24.9	Very low	122 Å²	122	133.9 Å²	133.9	82%	0.824	74%	0.741	S	S	*	*			trans	-168.4	116.7	156.2	-95.1	0	0	0	0	104.5
1500	C	23.7	Very low	24.6	Very low	115 Å²	115	134.5 Å²	134.5	78%	0.777	74%	0.738	S	S	*	*				50.8	131.1	50.6	-66.3	0	0	0	0	112
1501	N	26.9	Very low	24.7	Very low	130 Å²	130	136.4 Å²	136.4	70%	0.695	73%	0.733	S	S	*	*			cis	-161.6	178.5	27.7	-148.3	-27.5	0	0	0	113
1502	N	28.4	Very low	24.8	Very low	117 Å²	117	139.8 Å²	139.8	63%	0.626	73%	0.732	S	S	*	*			trans	79.2	99.5	159.9	-54	-50	0	0	0	119.1
1503	R	24.8	Very low	24.8	Very low	251 Å²	251	142.3 Å²	142.3	95%	0.947	74%	0.739	S	S	*	*				-126.4	113.6	86.6	-78.2	-165.6	177.6	175.7	2.7	112.1
1504	K	23	Very low	25	Very low	157 Å²	157	141.4 Å²	141.4	68%	0.683	74%	0.741	S	S	*	*			trans	-71.4	133	146.3	-66.1	-176.8	178.1	-176.4	0	107.4
1505	F	23.9	Very low	25.2	Very low	179 Å²	179	140.1 Å²	140.1	79%	0.785	74%	0.74	S	S	*	*				-170.6	142.8	86.5	-110	-79.6	0	0	0	111.6
1506	S	21.7	Very low	25.4	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	74%	0.743	S	S	*	*			trans	-70.7	143.9	165.8	45.5	0	0	0	0	110.9
1507	V	25.4	Very low	25.6	Very low	127 Å²	127	141.1 Å²	141.1	77%	0.77	75%	0.749	S	S	*	*			trans	-135.5	118.1	154.4	179.9	0	0	0	0	108	M1509	V1507-M1509 HydrophobicContact CG1-CG 4.48Å
1508	G	24.1	Very low	25.4	Very low	63 Å²	63	137.8 Å²	137.8	65%	0.649	75%	0.748	S	S	*	*			trans	-109.9	142.9	149.2	0	0	0	0	0	107.8
1509	M	25.8	Very low	25.8	Very low	166 Å²	166	139.3 Å²	139.3	82%	0.818	76%	0.756	S	S	*	*			trans	-101.2	119.9	159.6	-72	-173.5	165.6	0	0	106.3	V1507	V1507-M1509 HydrophobicContact CG1-CG 4.48Å
1510	N	24.6	Very low	25.7	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	75%	0.754	S	S	*	*				70.3	119.9	67.7	-76.7	-12.8	0	0	0	113.2
1511	H	26.6	Very low	25.9	Very low	162 Å²	162	140.2 Å²	140.2	75%	0.75	75%	0.748	S	S	*	*			trans	142.3	139.2	133.2	-75	93.8	0	0	0	110
1512	Y	25	Very low	25.7	Very low	200 Å²	200	141 Å²	141	78%	0.784	75%	0.752	S	S	*	*			cis	168.6	144.7	-13.1	-131	-87.5	0	0	0	103.8
1513	L	25.1	Very low	25.5	Very low	169 Å²	169	143.1 Å²	143.1	89%	0.885	76%	0.757	S	S	*	*			trans	173.1	161.5	157.6	-92	157.5	0	0	0	110.3
1514	P	27.8	Very low	25.5	Very low	110 Å²	110	138.6 Å²	138.6	71%	0.714	74%	0.741	S	S	*	*			trans	-134.2	-136.1	-136.5	44.8	-21.9	0	0	0	115.2
1515	P	29.6	Very low	25.7	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	74%	0.744	S	S	*	*			trans	-129.1	154	-132.4	35.5	-12.5	0	0	0	119.8
1516	L	27.5	Very low	26	Very low	143 Å²	143	134.3 Å²	134.3	75%	0.749	74%	0.743	S	S	*	*			trans	45.9	145.7	141.2	-60.3	171.3	0	0	0	121.5
1517	F	27.1	Very low	26.2	Very low	188 Å²	188	139.1 Å²	139.1	83%	0.825	75%	0.751	S	S	*	*			cis	-162.2	130.9	20.5	-124.1	-49.7	0	0	0	113
1518	G	22.6	Very low	26.3	Very low	71 Å²	71	138.7 Å²	138.7	73%	0.732	75%	0.753	S	S	*	*			trans	65.4	164.9	151.7	0	0	0	0	0	121.3
1519	P	32.3	Very low	26.5	Very low	116 Å²	116	141.4 Å²	141.4	75%	0.753	76%	0.757	S	S	*	*			cis	-116.1	175.6	-7.3	42.5	-31.1	0	0	0	114.6
1520	I	23.4	Very low	26.4	Very low	155 Å²	155	141 Å²	141	80%	0.795	76%	0.759	S	S	*	*			trans	31.9	130.5	142.5	-63.7	170	0	0	0	119.3
1521	P	28.4	Very low	26.4	Very low	101 Å²	101	139.8 Å²	139.8	66%	0.656	76%	0.76	S	S	*	*			cis	-136.8	-168.3	-15.4	37.1	-15.9	0	0	0	114.5
1522	I	22.9	Very low	26.3	Very low	148 Å²	148	138.3 Å²	138.3	76%	0.759	76%	0.762	S	S	*	*			trans	74.3	122.5	167	-56	160.7	0	0	0	114
1523	Q	24.6	Very low	26.3	Very low	160 Å²	160	134 Å²	134	75%	0.748	76%	0.761	S	S	*	*			cis	-150.1	134.4	0.8	-141.7	160.9	-12.9	0	0	112.4
1524	Y	25	Very low	26.3	Very low	156 Å²	156	134.5 Å²	134.5	61%	0.612	76%	0.759	S	S	*	*			trans	50.5	118	147.3	-82.1	-112.1	0	0	0	123.8
1525	N	26.4	Very low	26.2	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	77%	0.767	S	S	*	*				56.4	145.5	125.4	-65.7	4.8	0	0	0	122.6
1526	S	29.1	Very low	25.9	Very low	109 Å²	109	137.1 Å²	137.1	76%	0.762	77%	0.769	S	S	*	*			cis	-165.7	163.5	-12.4	50.2	0	0	0	0	111.5
1527	K	25.8	Very low	25.7	Very low	204 Å²	204	134.9 Å²	134.9	89%	0.887	77%	0.765	S	S	*	*			trans	-105.1	160.1	175.6	-62.6	178.6	-178.2	179.8	0	111.9
1528	S	28.4	Very low	25.7	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	76%	0.757	S	S	*	*			trans	-148.9	159.3	137.9	70.3	0	0	0	0	112.3
1529	T	27.5	Very low	25.8	Very low	119 Å²	119	136.8 Å²	136.8	73%	0.73	76%	0.763	S	S	*	*			trans	-149.9	164.9	175.6	52.8	0	0	0	0	107.9
1530	N	24.6	Very low	25.6	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	77%	0.771	S	S	*	*			trans	166.7	179.2	130.2	-82.3	-3.6	0	0	0	112.4
1531	S	24.2	Very low	25.8	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	77%	0.771	S	S	*	*			trans	-153.1	147.5	-165.9	61.2	0	0	0	0	113.8
1532	V	25.4	Very low	25.7	Very low	130 Å²	130	140.9 Å²	140.9	79%	0.788	79%	0.786	S	S	*	*			trans	80.2	132.8	156.2	175.6	0	0	0	0	119.6
1533	S	23.9	Very low	25.9	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	79%	0.787	S	S	*	*			trans	68.6	128	159	64.9	0	0	0	0	120.4
1534	E	24.9	Very low	26	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	79%	0.787	S	S	*	*			trans	-126.9	129.2	150.1	-76.8	-159.2	158.5	0	0	110.5
1535	L	26.4	Very low	26.2	Very low	168 Å²	168	138 Å²	138	88%	0.88	80%	0.799	S	S	*	*			trans	-84.2	158.6	142.7	-106.5	158.3	0	0	0	107.3	S1537	L1535-S1537 PolarHBondContact O-N 3.35Å; L1535-S1537 VanDerWaalsContact O-N 3.17Å
1536	S	23	Very low	26.1	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	80%	0.803	S	S	*	*	S	Bend	trans	-61.6	114.1	-164.8	54.8	0	0	0	0	115.4
1537	S	23.9	Very low	25.8	Very low	97 Å²	97	146.4 Å²	146.4	68%	0.678	81%	0.809	S	S	*	*			trans	66.3	165.8	144.4	76.6	0	0	0	0	119	L1535	L1535-S1537 PolarHBondContact O-N 3.35Å; L1535-S1537 VanDerWaalsContact O-N 3.17Å
1538	P	27.2	Very low	25.9	Very low	101 Å²	101	146 Å²	146	66%	0.656	81%	0.807	S	S	*	*				-135.4	160.4	-63.3	39.2	-25.5	0	0	0	114.7
1539	F	24.1	Very low	25.7	Very low	197 Å²	197	145.6 Å²	145.6	86%	0.864	80%	0.8	S	S	*	*			trans	68.9	143.3	160.1	-87	-73.1	0	0	0	121.4
1540	L	28.2	Very low	25.7	Very low	174 Å²	174	149.7 Å²	149.7	91%	0.911	80%	0.804	S	S	*	*			trans	72.9	127.8	159.1	-65.2	164.5	0	0	0	120.7
1541	G	27.3	Very low	25.6	Very low	78 Å²	78	153.3 Å²	153.3	80%	0.804	81%	0.806	S	S	*	*			trans	128.6	80	143.2	0	0	0	0	0	118.3
1542	H	27.2	Very low	25.7	Very low	206 Å²	206	152.2 Å²	152.2	95%	0.954	80%	0.803	S	S	*	*			trans	-54.4	150.3	170.8	-73.1	-78.1	0	0	0	115
1543	G	27.9	Very low	25.8	Very low	77 Å²	77	152.6 Å²	152.6	79%	0.794	81%	0.808	S	S	*	*			trans	146.2	81.2	144.5	0	0	0	0	0	117.4
1544	N	25.4	Very low	25.9	Very low	138 Å²	138	151.8 Å²	151.8	74%	0.738	81%	0.808	S	S	*	*			trans	-72.6	136	172.2	-79.1	-37.2	0	0	0	112.7
1545	H	29.5	Very low	26.1	Very low	190 Å²	190	150.2 Å²	150.2	88%	0.88	81%	0.805	S	S	*	*				-162.3	142.6	118	-107.3	-74	0	0	0	111.8
1546	F	24.2	Very low	26.2	Very low	187 Å²	187	149.6 Å²	149.6	82%	0.82	80%	0.802	S	S	*	*			trans	-83.3	141.6	-169.7	-81	-118.1	0	0	0	113.7
1547	R	22.7	Very low	26.4	Very low	235 Å²	235	148.9 Å²	148.9	89%	0.887	80%	0.796	S	S	*	*				155.5	96.1	107.6	-170.4	179.1	-162	-175.9	5.8	114.3
1548	K	27.8	Very low	26.6	Very low	195 Å²	195	153.7 Å²	153.7	85%	0.848	80%	0.8	S	S	*	*			trans	-175.4	121.1	155.7	-103.4	165.8	-177.5	-178.9	0	108.5
1549	T	24.4	Very low	26.5	Very low	111 Å²	111	155.5 Å²	155.5	68%	0.681	80%	0.8	S	S	*	*				48.7	127.1	102.3	64.9	0	0	0	0	114.6
1550	Y	26.8	Very low	26.9	Very low	206 Å²	206	152.7 Å²	152.7	81%	0.808	79%	0.789	S	S	*	*			cis	-126.8	152.4	17.8	-75.9	-105.7	0	0	0	110.2
1551	R	23.8	Very low	27.1	Very low	234 Å²	234	152.3 Å²	152.3	88%	0.883	78%	0.782	S	S	*	*				72.2	113.7	56.1	-151.4	-177.3	-161.1	174.2	6.7	113.7
1552	A	25.3	Very low	27	Very low	83 Å²	83	155.8 Å²	155.8	69%	0.686	78%	0.782	S	S	*	*			trans	-79.9	163.8	-179.6	0	0	0	0	0	113.3
1553	P	28.3	Very low	27.2	Very low	138 Å²	138	154.2 Å²	154.2	90%	0.896	78%	0.775	S	S	*	*			trans	-75.7	119.7	163.3	31.5	-31.7	0	0	0	110.2
1554	A	26.1	Very low	27.3	Very low	92 Å²	92	158 Å²	158	76%	0.76	78%	0.776	S	S	*	*			trans	-127.4	142	161.4	0	0	0	0	0	107.7
1555	N	28.8	Very low	27.4	Very low	146 Å²	146	154.3 Å²	154.3	78%	0.781	77%	0.772	S	S	*	*			trans	-145	148.2	172.3	-99	-26	0	0	0	107.3
1556	I	27.7	Very low	27.3	Very low	156 Å²	156	152 Å²	152	80%	0.8	77%	0.771	S	S	*	*	S	Bend	cis	-124.2	123.6	21.3	-66	172.2	0	0	0	111.6
1557	C	27.3	Very low	27.4	Very low	86 Å²	86	148.5 Å²	148.5	58%	0.581	77%	0.765	S	S	*	*			trans	41.4	163.4	144.7	-46.8	0	0	0	0	122.1
1558	Y	27.7	Very low	27.7	Very low	197 Å²	197	144.4 Å²	144.4	77%	0.773	76%	0.759	S	S	*	*			cis	-150.1	131	17.9	-123.5	-75.1	0	0	0	112.3
1559	H	27	Very low	27.8	Very low	140 Å²	140	141.3 Å²	141.3	65%	0.648	75%	0.752	S	S	*	*			trans	52.6	160.4	148.1	-79.2	-133.4	0	0	0	122.1
1560	H	31.4	Very low	28.1	Very low	138 Å²	138	140.3 Å²	140.3	64%	0.639	74%	0.743	S	S	*	*			cis	-148.6	147.6	17.2	-118	-60.1	0	0	0	114.7
1561	H	32.2	Very low	28.2	Very low	165 Å²	165	136.4 Å²	136.4	76%	0.764	74%	0.74	S	S	*	*			trans	57	165.6	151.1	-75.7	-42.2	0	0	0	125.8
1562	L	26.4	Very low	28.7	Very low	152 Å²	152	134.5 Å²	134.5	80%	0.796	73%	0.733	S	S	*	*			trans	-170.3	139.5	-154	-123.7	161	0	0	0	110.4
1563	Q	30.8	Very low	29	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	73%	0.734	S	S	*	*			trans	170.7	132.8	148.7	-95.3	164.3	18.4	0	0	109.2
1564	N	30.2	Very low	28.9	Very low	155 Å²	155	135.6 Å²	135.6	83%	0.829	72%	0.724	S	S	*	*				55.6	131.5	82	-62.7	-5.1	0	0	0	114.2
1565	G	26.9	Very low	29.2	Very low	62 Å²	62	138.3 Å²	138.3	64%	0.639	72%	0.724	S	S	*	*			cis	146	150	-7.9	0	0	0	0	0	113.4
1566	T	26.7	Very low	29.1	Very low	140 Å²	140	141 Å²	141	86%	0.859	73%	0.725	S	S	*	*			trans	70	149.8	169.5	69.4	0	0	0	0	116.4
1567	T	27.5	Very low	29.1	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	72%	0.722	S	S	*	*			cis	-168.4	179.2	-4.6	14.5	0	0	0	0	111.8
1568	I	28.6	Very low	29.1	Very low	150 Å²	150	144.9 Å²	144.9	77%	0.769	73%	0.733	S	S	*	*			trans	81.3	139	154.6	-72.4	145.9	0	0	0	117.7
1569	N	28.9	Very low	29.2	Very low	129 Å²	129	145.4 Å²	145.4	69%	0.69	73%	0.733	S	S	*	*			cis	-164	177.8	-26.4	-105.2	29.1	0	0	0	106.3
1570	D	31.1	Very low	29.5	Very low	91 Å²	91	144.8 Å²	144.8	49%	0.487	74%	0.735	S	S	.	*			cis	-121.2	-115.3	-6	-141.7	-93.9	0	0	0	105.9	R1572	D1570-R1572 WeakPolarHBondContact OD1-CD 3.27Å; D1570-R1572 VanDerWaalsContact OD1-CG 3.25Å; D1570-R1572 WeakPolarHBondContact OD1-CG 3.37Å; D1570-R1572 IonicContact OD1-CZ 3.48Å; D1570-R1572 IonicContact OD1-NE 2.74Å; D1570-R1572 PolarHBondContact OD1-NE 3.02Å
1571	T	29.6	Very low	29.5	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	72%	0.717	S	S	*	*				-105	138.6	-51.2	43.3	0	0	0	0	107.6
1572	R	33.6	Very low	29.5	Very low	194 Å²	194	136.3 Å²	136.3	73%	0.732	70%	0.697	S	S	*	*				54.5	135.3	75.1	-67.4	176.8	-171.2	-172.9	0.3	114.9	D1570	D1570-R1572 WeakPolarHBondContact OD1-CD 3.27Å; D1570-R1572 VanDerWaalsContact OD1-CG 3.25Å; D1570-R1572 WeakPolarHBondContact OD1-CG 3.37Å; D1570-R1572 IonicContact OD1-CZ 3.48Å; D1570-R1572 IonicContact OD1-NE 2.74Å; D1570-R1572 PolarHBondContact OD1-NE 3.02Å
1573	N	31.6	Very low	29.7	Very low	133 Å²	133	137.1 Å²	137.1	71%	0.711	70%	0.697	S	S	*	*			cis	-166.6	142.4	-12.4	-123	13.5	0	0	0	112.6
1574	T	27	Very low	29.6	Very low	111 Å²	111	133.7 Å²	133.7	68%	0.681	68%	0.684	S	S	*	*			trans	46	141.4	143.2	58.1	0	0	0	0	125.3
1575	I	32	Very low	29.7	Very low	150 Å²	150	132.2 Å²	132.2	77%	0.769	68%	0.676	S	S	*	*			trans	108.8	104.2	146	-73.5	153.2	0	0	0	121
1576	Y	26.6	Very low	29.9	Very low	202 Å²	202	136.1 Å²	136.1	79%	0.792	69%	0.687	S	S	*	*			trans	48.1	125.2	145.7	-76.7	-62.9	0	0	0	127.3
1577	N	27.5	Very low	30.2	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	67%	0.673	S	S	*	*			trans	77.6	115.2	130.7	-79.6	-20.7	0	0	0	123.5
1578	K	28.3	Very low	30.4	Very low	185 Å²	185	136.6 Å²	136.6	80%	0.804	68%	0.675	S	S	*	*			trans	77.1	136.5	140.5	-161	173.3	-172.1	171.4	0	117.7
1579	R	30.5	Very low	30.3	Very low	208 Å²	208	135 Å²	135	79%	0.785	67%	0.673	S	S	*	*			trans	69.6	103.7	-176.7	-77.1	170.5	175.5	157.5	-1.9	112.7
1580	N	31.8	Very low	30.2	Very low	126 Å²	126	136.3 Å²	136.3	67%	0.674	68%	0.678	S	S	*	*				70.7	119.6	83.9	-74.9	39.2	0	0	0	109.7
1581	N	31.6	Very low	29.7	Very low	52 Å²	52	137.9 Å²	137.9	28%	0.278	70%	0.695	S	S	.	*				-176.8	166.2	128.2	-93	-10.5	0	0	0	112.5	P1396 N1397 Q1398	P1396-N1581 VanDerWaalsContact CA-ND2 3.32Å; P1396-N1581 WeakPolarHBondContact CA-ND2 3.26Å; P1396-N1581 WeakPolarHBondContact O-CB 3.4Å; P1396-N1581 PolarHBondContact O-ND2 3.48Å; P1396-N1581 VanDerWaalsContact O-ND2 3.17Å; N1397-N1581 VanDerWaalsContact C-CG 3.42Å; N1397-N1581 PolarHBondContact N-ND2 3.5Å; N1397-N1581 CarbonylContact O-C 3.53Å; N1397-N1581 WeakPolarHBondContact O-CA 3.39Å; N1397-N1581 WeakPolarHBondContact O-CB 3.23Å; N1397-N1581 PolarHBondContact O-OD1 2.8Å; Q1398-N1581 WeakPolarHBondContact CB-OD1 3.21Å; Q1398-N1581 VanDerWaalsContact CG-OD1 3.31Å; Q1398-N1581 WeakPolarHBondContact CG-OD1 3.15Å
1582	Q	32.9	Very low	29.4	Very low	74 Å²	74	140.9 Å²	140.9	35%	0.346	70%	0.697	S	S	.	*	S	Bend	trans	-51.4	163.1	-165.5	-80.5	174.1	-64.5	0	0	116.8	N1397 Q1398 K1399	N1397-Q1582 WeakPolarHBondContact O-CB 3.29Å; N1397-Q1582 PolarHBondContact O-N 3.31Å; N1397-Q1582 PolarHBondContact O-OE1 2.87Å; Q1398-Q1582 VanDerWaalsContact C-OE1 3.3Å; K1399-Q1582 PolarHBondContact O-NE2 2.82Å
1583	E	29	Very low	29	Very low	169 Å²	169	141.2 Å²	141.2	79%	0.79	70%	0.7	S	S	*	*	S	Bend	cis	-124.4	146.8	12.9	-146.3	144	-117.1	0	0	113.1
1584	D	30.3	Very low	28.6	Very low	101 Å²	101	142 Å²	142	54%	0.54	70%	0.697	S	S	.	*			trans	-86	128.4	-134.7	-78	-48.3	0	0	0	116.7
1585	L	31.4	Very low	28.7	Very low	124 Å²	124	143.8 Å²	143.8	65%	0.649	70%	0.7	S	S	*	*			trans	-75.4	162.1	157.1	-145.3	77.4	0	0	0	109
1586	T	32.1	Very low	28.3	Very low	143 Å²	143	145 Å²	145	88%	0.877	71%	0.707	S	S	*	*				-164.8	161.4	92.2	20	0	0	0	0	112.3
1587	N	32.4	Very low	28.6	Very low	105 Å²	105	143.5 Å²	143.5	56%	0.561	71%	0.708	S	S	*	*			trans	-121.4	147.1	-159	-104.4	-52.6	0	0	0	112.6
1588	Q	31	Very low	28.9	Very low	159 Å²	159	141.2 Å²	141.2	74%	0.743	70%	0.701	S	S	*	*			trans	66.6	147.8	141	-64.1	166.6	13.4	0	0	117.7
1589	T	27.7	Very low	28.8	Very low	117 Å²	117	141 Å²	141	72%	0.718	70%	0.7	S	S	*	*			cis	-152.9	158	11.1	-15.4	0	0	0	0	112
1590	I	26.4	Very low	28.5	Very low	157 Å²	157	138.9 Å²	138.9	81%	0.805	70%	0.703	S	S	*	*			trans	61.1	95.1	161.6	-48.7	170.9	0	0	0	116.6
1591	C	21.5	Very low	28.2	Very low	123 Å²	123	139 Å²	139	83%	0.831	70%	0.704	S	S	*	*				-158.1	173.7	109.6	-142.3	0	0	0	0	112.4
1592	K	23.3	Very low	27.9	Very low	186 Å²	186	142.8 Å²	142.8	81%	0.809	72%	0.724	S	S	*	*			trans	-74.7	138.4	172.4	-61.4	168.8	-179.2	172	0	110.1
1593	Y	23.7	Very low	27.6	Very low	201 Å²	201	144.7 Å²	144.7	79%	0.788	74%	0.741	S	S	*	*				-179.8	112.3	115.2	-103.9	-90.6	0	0	0	104.9
1594	K	24.7	Very low	27.5	Very low	149 Å²	149	143.7 Å²	143.7	65%	0.648	74%	0.74	S	S	*	*				73.6	129.2	64.5	-168.3	-158.4	-174.1	-161	0	111.8
1595	M	29	Very low	27.3	Very low	150 Å²	150	144.9 Å²	144.9	74%	0.739	75%	0.746	S	S	*	*			trans	67.6	97.3	169.8	-74.8	148.5	158.4	0	0	117.2
1596	N	23.6	Very low	27.2	Very low	175 Å²	175	145 Å²	145	94%	0.936	75%	0.746	S	S	*	*				-151	157.7	125.7	-106.2	-33.1	0	0	0	112.1
1597	Q	31.1	Very low	26.8	Very low	171 Å²	171	146.4 Å²	146.4	80%	0.799	74%	0.74	S	S	*	*			trans	-114.7	-175.4	-177.5	-124.3	-170.6	36.2	0	0	107.7
1598	P	35.5	Very low	26.5	Very low	91 Å²	91	147.1 Å²	147.1	59%	0.591	74%	0.744	S	S	*	*			cis	-143.2	179	-9	35.7	-14.5	0	0	0	117.4
1599	K	25.6	Very low	26.2	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.787	74%	0.74	S	S	*	*			trans	62.9	109.1	140	-77.2	160.1	-172.5	178.6	0	121.2
1600	L	24.9	Very low	26.2	Very low	163 Å²	163	146.2 Å²	146.2	85%	0.853	74%	0.744	S	S	*	*				-172.7	150.5	120.6	-116.3	57	0	0	0	107.1
1601	N	25.2	Very low	26	Very low	129 Å²	129	142.4 Å²	142.4	69%	0.69	74%	0.737	S	S	*	*			cis	-151.2	-162.4	-8.8	-154.3	46.3	0	0	0	111.1
1602	N	24.9	Very low	26.3	Very low	131 Å²	131	143.6 Å²	143.6	70%	0.701	74%	0.735	S	S	*	*			trans	-71.8	173.4	172.7	-53.6	-20	0	0	0	112.1
1603	T	27	Very low	26.4	Very low	114 Å²	114	140.9 Å²	140.9	70%	0.699	73%	0.734	S	S	*	*			cis	-164.6	160	30.5	-20.4	0	0	0	0	111.6
1604	L	26.1	Very low	26.7	Very low	148 Å²	148	139.3 Å²	139.3	78%	0.775	74%	0.738	S	S	*	*			trans	31.8	148.6	139.3	-100.8	66.5	0	0	0	121.8
1605	D	26	Very low	26.8	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	74%	0.743	S	S	*	*			cis	-168.9	-175.7	10.4	-149.4	-15.6	0	0	0	113.3
1606	I	29.4	Very low	26.7	Very low	128 Å²	128	137.3 Å²	137.3	66%	0.656	75%	0.746	S	S	*	*			trans	84.6	93.8	146	-72.7	158.8	0	0	0	120.9
1607	K	24.8	Very low	26.8	Very low	171 Å²	171	134.6 Å²	134.6	74%	0.743	74%	0.739	S	S	*	*				72.4	132.1	115.7	-70.6	-164.7	175.9	-177	0	125.8
1608	N	26	Very low	26.6	Very low	120 Å²	120	131.9 Å²	131.9	64%	0.642	74%	0.739	S	S	*	*			trans	64.7	159.2	131.8	-61.6	43.7	0	0	0	119.5
1609	D	24.5	Very low	26.7	Very low	123 Å²	123	133.1 Å²	133.1	66%	0.658	75%	0.747	S	S	*	*			cis	-168.4	179.1	-25	-96.5	-25.5	0	0	0	108.2
1610	V	26.5	Very low	27.4	Very low	134 Å²	134	129.2 Å²	129.2	81%	0.812	74%	0.74	S	S	*	*			trans	72.4	126.9	163.1	-167.6	0	0	0	0	115.6
1611	A	23.4	Very low	27.6	Very low	78 Å²	78	127.5 Å²	127.5	65%	0.645	74%	0.737	S	S	*	*			cis	90.8	91.2	15.3	0	0	0	0	0	118.2
1612	N	27.5	Very low	27.7	Very low	148 Å²	148	128.9 Å²	128.9	79%	0.791	74%	0.739	S	S	*	*			trans	64.1	129.8	152.6	-53.6	-18.9	0	0	0	120.8
1613	T	25.9	Very low	27.7	Very low	128 Å²	128	129.5 Å²	129.5	79%	0.785	74%	0.739	S	S	*	*				155.7	131.8	105.2	42.9	0	0	0	0	113.6
1614	L	29.5	Very low	27.7	Very low	169 Å²	169	129.5 Å²	129.5	89%	0.885	74%	0.735	S	S	*	*			trans	179.9	140.3	151.8	-118.8	126.5	0	0	0	109.5
1615	N	25.7	Very low	27.6	Very low	139 Å²	139	129.1 Å²	129.1	74%	0.743	73%	0.733	S	S	*	*			cis	-162.7	177	-35.8	-136.6	-19.1	0	0	0	110.8
1616	C	27.9	Very low	27.6	Very low	118 Å²	118	129.9 Å²	129.9	80%	0.797	74%	0.736	S	S	*	*			trans	83.3	140.9	169	-57.1	0	0	0	0	118.7
1617	C	25	Very low	27.3	Very low	117 Å²	117	132.2 Å²	132.2	79%	0.791	74%	0.741	S	S	*	*			trans	-149	152.8	-167.8	-56.3	0	0	0	0	113
1618	S	28.4	Very low	27.5	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	75%	0.749	S	S	*	*				48	171.7	121.7	-49.2	0	0	0	0	121.8
1619	P	37.4	Very low	27.5	Very low	117 Å²	117	130.8 Å²	130.8	76%	0.76	75%	0.747	S	S	*	*			cis	-131.4	-147.1	3.5	47.1	-29	0	0	0	111.9
1620	P	39	Very low	27.6	Very low	99 Å²	99	130.6 Å²	130.6	64%	0.643	75%	0.746	S	S	*	*			cis	-135.4	169.5	-19.6	39.4	-22.2	0	0	0	116.9
1621	T	28.7	Very low	27.5	Very low	127 Å²	127	132.5 Å²	132.5	78%	0.779	74%	0.743	S	S	*	*			trans	59.8	155.4	149.7	45.9	0	0	0	0	120.9
1622	E	27.6	Very low	27.5	Very low	158 Å²	158	134 Å²	134	74%	0.738	75%	0.748	S	S	*	*			cis	-157.6	162.5	4.9	-137.3	-179.7	-171.3	0	0	112.8
1623	M	25.7	Very low	27.4	Very low	144 Å²	144	134.6 Å²	134.6	71%	0.709	75%	0.751	S	S	*	*			trans	60.7	152.2	157	-69.3	-152.3	-177.2	0	0	121.4
1624	N	25.9	Very low	27.3	Very low	113 Å²	113	134.7 Å²	134.7	60%	0.604	75%	0.752	S	S	*	*			cis	-168.2	143.1	-24.1	-113.8	-15.2	0	0	0	112.5
1625	L	24.9	Very low	27.1	Very low	140 Å²	140	134.8 Å²	134.8	73%	0.733	75%	0.752	S	S	*	*			trans	56.7	163.1	138.9	-62.7	173.7	0	0	0	120.5
1626	L	26.4	Very low	27	Very low	141 Å²	141	135.7 Å²	135.7	74%	0.738	75%	0.752	S	S	*	*			cis	-145.7	152.1	-11.8	-95.5	138.8	0	0	0	104.5
1627	K	21.9	Very low	26.8	Very low	177 Å²	177	133.2 Å²	133.2	77%	0.77	73%	0.733	S	S	*	*			cis	75.6	97	34.7	-147.3	-174.1	-172.3	-174.5	0	115.6
1628	V	29	Very low	26.9	Very low	148 Å²	148	130.2 Å²	130.2	90%	0.897	71%	0.71	S	S	*	*			trans	-169.3	165.9	164.8	117.9	0	0	0	0	109.7
1629	N	26.8	Very low	27	Very low	114 Å²	114	127.7 Å²	127.7	61%	0.61	69%	0.692	S	S	*	*				-150.8	161.7	-90.2	-120.6	66.5	0	0	0	112.6
1630	D	25.6	Very low	26.5	Very low	118 Å²	118	129.6 Å²	129.6	63%	0.631	69%	0.688	S	S	*	*			trans	61.2	123.4	153.6	-74.2	-60.8	0	0	0	124.8
1631	K	26.1	Very low	25.9	Very low	174 Å²	174	127.4 Å²	127.4	76%	0.757	68%	0.684	S	S	*	*			trans	79.2	109.3	134.6	-68.9	173.8	-175.4	176	0	122.9
1632	C	21.7	Very low	25.9	Very low	111 Å²	111	130 Å²	130	75%	0.75	69%	0.687	S	S	*	*				52.6	101.4	121	-56.3	0	0	0	0	119.8
1633	N	27.1	Very low	25.9	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	70%	0.696	S	S	*	*				-172.6	162.6	90.9	-93.6	-13.1	0	0	0	112.8
1634	T	22.6	Very low	25.9	Very low	130 Å²	130	133 Å²	133	80%	0.798	70%	0.696	S	S	*	*			trans	-83.1	138.3	174.1	45.8	0	0	0	0	112.3
1635	L	25.2	Very low	26.1	Very low	171 Å²	171	133 Å²	133	90%	0.895	70%	0.704	S	S	*	*			trans	-157.4	165.7	142.1	-136.5	72.8	0	0	0	111.9
1636	E	23.3	Very low	26.1	Very low	158 Å²	158	133.2 Å²	133.2	74%	0.738	71%	0.706	S	S	*	*			trans	-103.3	168.1	-166.3	-66.6	177.1	128.3	0	0	112
1637	T	24.8	Very low	26.4	Very low	65 Å²	65	135.8 Å²	135.8	40%	0.399	71%	0.714	S	S	.	*			cis	-160.3	152.4	-15.8	19.4	0	0	0	0	109.8	Y1817	T1637-Y1817 VanDerWaalsContact C-CZ 3.48Å; T1637-Y1817 WeakPolarHBondContact O-CD1 3.48Å; T1637-Y1817 VanDerWaalsContact O-CD2 3.29Å; T1637-Y1817 WeakPolarHBondContact O-CD2 3.41Å; T1637-Y1817 WeakPolarHBondContact O-CE1 3.06Å; T1637-Y1817 VanDerWaalsContact O-CE2 3.28Å; T1637-Y1817 WeakPolarHBondContact O-CE2 3.12Å
1638	D	27.3	Very low	26.5	Very low	55 Å²	55	136.9 Å²	136.9	29%	0.294	72%	0.719	S	S	.	*			trans	77.6	102.9	152.1	-75	24	0	0	0	123.3	I1815 K1816 Y1817	D1638-I1815 VanDerWaalsContact CA-CG2 3.43Å; D1638-I1815 HydrophobicContact CB-CB 4.22Å; D1638-I1815 HydrophobicContact CB-CG2 3.38Å; D1638-I1815 WeakPolarHBondContact OD2-CA 3.44Å; D1638-I1815 VanDerWaalsContact OD2-CB 3.32Å; D1638-I1815 WeakPolarHBondContact OD2-CB 3.35Å; D1638-I1815 WeakPolarHBondContact OD2-CG1 3.31Å; D1638-I1815 WeakPolarHBondContact OD2-CG2 3.27Å; D1638-K1816 PolarHBondContact OD2-N 2.85Å; D1638-Y1817 WeakPolarHBondContact O-CD2 3.49Å; D1638-Y1817 VanDerWaalsContact O-CE2 3.27Å; D1638-Y1817 WeakPolarHBondContact O-CE2 3.44Å; D1638-Y1817 PolarHBondContact O-N 3.26Å
1639	S	29.9	Very low	26.6	Very low	62 Å²	62	135.4 Å²	135.4	43%	0.434	71%	0.713	S	S	.	*			trans	75.5	-176.7	156.8	-109.3	0	0	0	0	115.9	I1815 Y1817	S1639-I1815 WeakPolarHBondContact CB-O 3.44Å; S1639-I1815 PolarHBondContact OG-O 3.45Å; S1639-Y1817 WeakPolarHBondContact O-CE2 3.34Å
1640	F	26.8	Very low	26.7	Very low	156 Å²	156	139 Å²	139	68%	0.684	72%	0.723	S	S	*	*			cis	-145.7	-166.2	14	-162.3	62.2	0	0	0	112.2	K1816	F1640-K1816 HydrophobicContact CD1-CG 3.77Å; F1640-K1816 HydrophobicContact CE1-CG 4.23Å; F1640-K1816 HydrophobicContact CG-CG 4.28Å
1641	G	26.9	Very low	26.8	Very low	54 Å²	54	140.5 Å²	140.5	56%	0.557	73%	0.731	S	S	*	*			trans	-105.5	149.8	-167.8	0	0	0	0	0	119.2
1642	Q	28.2	Very low	26.9	Very low	180 Å²	180	143.5 Å²	143.5	84%	0.841	74%	0.737	S	S	*	*			trans	56.4	125	159.9	-71.8	-170.8	-12.8	0	0	121.6
1643	Y	28.5	Very low	27	Very low	233 Å²	233	142.9 Å²	142.9	91%	0.914	73%	0.734	S	S	*	*			trans	-128.3	141	144.1	-120.2	-91.1	0	0	0	110
1644	N	25.5	Very low	27.1	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	73%	0.731	S	S	*	*			trans	-94.5	149.9	172.4	-92.6	-51.1	0	0	0	110.4
1645	S	29.5	Very low	27.3	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	73%	0.727	S	S	*	*				179.9	121.4	120.7	37.4	0	0	0	0	115.2
1646	N	25.4	Very low	27.5	Very low	144 Å²	144	140 Å²	140	77%	0.77	72%	0.721	S	S	*	*			trans	5.2	120.2	143.4	-54.7	-32.4	0	0	0	119.9
1647	H	32.6	Very low	27.7	Very low	196 Å²	196	140.8 Å²	140.8	91%	0.907	73%	0.726	S	S	*	*				-161.2	147.4	119.9	-96.1	-59.5	0	0	0	111.5
1648	K	23.5	Very low	27.7	Very low	199 Å²	199	144.5 Å²	144.5	87%	0.865	74%	0.744	S	S	*	*			trans	-112.4	150.2	170.2	-80.8	-177.2	174.5	176.3	0	109.2
1649	P	30.7	Very low	27.7	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	77%	0.765	S	S	*	*				-149.1	140.4	109	34.5	-17.1	0	0	0	117.9
1650	K	29	Very low	27.4	Very low	188 Å²	188	152.2 Å²	152.2	82%	0.817	78%	0.779	S	S	*	*			trans	58.3	114.4	138.2	-63.2	179.6	178.9	177	0	122.8
1651	N	28.8	Very low	27.3	Very low	150 Å²	150	154.8 Å²	154.8	80%	0.802	79%	0.786	S	S	*	*				70.3	107.1	128.7	-60.4	5.8	0	0	0	121.8
1652	R	27.3	Very low	27.5	Very low	237 Å²	237	157.6 Å²	157.6	89%	0.894	80%	0.795	S	S	*	*				-159.1	144.5	88	-112.5	177.9	174.4	169.6	-1.9	113.2
1653	S	24.5	Very low	27.3	Very low	99 Å²	99	156.6 Å²	156.6	69%	0.692	79%	0.794	S	S	*	*			trans	0.7	145.1	155.9	58.3	0	0	0	0	119.8
1654	I	29.2	Very low	27.1	Very low	154 Å²	154	152.2 Å²	152.2	79%	0.79	79%	0.786	S	S	*	*			cis	-149.9	140.8	45.3	-73.6	173.1	0	0	0	112.4
1655	S	27.3	Very low	27.3	Very low	100 Å²	100	154 Å²	154	70%	0.699	79%	0.79	S	S	*	*			trans	34.5	143.1	148.8	-167.8	0	0	0	0	122.7
1656	L	28.1	Very low	27.1	Very low	147 Å²	147	154.5 Å²	154.5	77%	0.77	79%	0.789	S	S	*	*			cis	-166.2	115.6	-19.8	-101	165.1	0	0	0	103.2
1657	M	28.1	Very low	27.1	Very low	173 Å²	173	155.5 Å²	155.5	85%	0.852	79%	0.789	S	S	*	*				80.9	135.6	85.5	-159.5	163.2	-172.8	0	0	115.2
1658	N	25.6	Very low	26.9	Very low	143 Å²	143	155.7 Å²	155.7	77%	0.765	79%	0.788	S	S	*	*			trans	-107.2	169.1	-165	-72.7	-9.7	0	0	0	114.9
1659	N	25.9	Very low	26.9	Very low	140 Å²	140	154.3 Å²	154.3	75%	0.749	78%	0.784	S	S	*	*			trans	96.2	119.3	144.8	-72.7	-10.8	0	0	0	122.3
1660	L	25.3	Very low	26.6	Very low	139 Å²	139	153.2 Å²	153.2	73%	0.728	78%	0.779	S	S	*	*			trans	85.2	136	133.4	-67.8	167.7	0	0	0	122.9
1661	Y	23.7	Very low	26.5	Very low	210 Å²	210	149.1 Å²	149.1	82%	0.824	77%	0.774	S	S	*	*			trans	67.9	165.4	165.1	-68.2	-71.3	0	0	0	117.3
1662	P	30.8	Very low	26.4	Very low	114 Å²	114	149.7 Å²	149.7	74%	0.74	77%	0.772	S	S	*	*				-136.8	-166.2	-73.1	39	-19.7	0	0	0	115.9
1663	L	24.9	Very low	26.4	Very low	159 Å²	159	144.7 Å²	144.7	83%	0.832	76%	0.762	S	S	*	*			trans	-27.4	115.5	-178.7	-84.1	85.3	0	0	0	119.9
1664	N	24.5	Very low	26.5	Very low	140 Å²	140	146.4 Å²	146.4	75%	0.749	76%	0.763	S	S	*	*				97.5	152.4	108.1	-151.6	21	0	0	0	121.2
1665	Q	28.3	Very low	26.4	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	75%	0.751	S	S	*	*			trans	73.2	160.2	178	-66.8	-171.5	-20.7	0	0	118
1666	T	25.9	Very low	26.5	Very low	124 Å²	124	143.2 Å²	143.2	76%	0.761	75%	0.746	S	S	*	*			trans	-137.8	178	-139.7	46.1	0	0	0	0	113.6
1667	E	24.9	Very low	26.6	Very low	164 Å²	164	145.8 Å²	145.8	77%	0.766	75%	0.745	S	S	*	*			trans	77.8	139.9	179.4	-49.4	-171.3	153.9	0	0	112
1668	F	27.9	Very low	26.8	Very low	200 Å²	200	145 Å²	145	88%	0.877	75%	0.745	S	S	*	*			cis	-125.2	149.8	45.2	-98.5	-103.4	0	0	0	117.9
1669	Q	24.3	Very low	27.2	Very low	171 Å²	171	144 Å²	144	80%	0.799	74%	0.739	S	S	*	*			trans	-67.6	166	157.7	-90.7	-173.6	10.7	0	0	112
1670	S	24.2	Very low	27.5	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	74%	0.74	S	S	*	*			cis	-170.1	-162	-4.2	53.5	0	0	0	0	110.3
1671	S	26.2	Very low	27.7	Very low	102 Å²	102	142 Å²	142	71%	0.713	74%	0.738	S	S	*	*			trans	96.5	139.5	160.9	84	0	0	0	0	116.8
1672	Q	26.7	Very low	28	Very low	162 Å²	162	136.8 Å²	136.8	76%	0.757	73%	0.731	S	S	*	*			cis	-167.6	157.2	-12.8	-120.5	180	-6	0	0	110.4
1673	I	27.7	Very low	27.9	Very low	132 Å²	132	137.5 Å²	137.5	68%	0.677	73%	0.729	S	S	*	*			trans	65.7	142.3	145.8	-70.3	167.5	0	0	0	116.6
1674	N	26.6	Very low	28.1	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	72%	0.719	S	S	*	*			cis	-167	178.9	-7.4	-110.7	29.1	0	0	0	107.3
1675	S	26.8	Very low	28.3	Very low	75 Å²	75	135.4 Å²	135.4	52%	0.524	72%	0.717	S	S	.	*			cis	-170.3	-179.4	-28.3	51.8	0	0	0	0	109.2
1676	D	30.5	Very low	28.2	Very low	112 Å²	112	134 Å²	134	60%	0.599	72%	0.715	S	S	*	*			trans	72.4	146.8	160.3	-62.2	-66	0	0	0	120.3
1677	R	31	Very low	28.1	Very low	201 Å²	201	133.5 Å²	133.5	76%	0.758	72%	0.715	S	S	*	*			cis	-174.3	140.7	-35	-124.6	-172.2	-172.1	127.8	-11.9	110.6
1678	N	31.3	Very low	28.1	Very low	157 Å²	157	135.5 Å²	135.5	84%	0.84	72%	0.717	S	S	*	*			trans	154	154.2	131.6	-80.7	-21.8	0	0	0	114.6
1679	N	33	Very low	27.9	Very low	122 Å²	122	133.2 Å²	133.2	65%	0.652	71%	0.714	S	S	*	*				-163.1	135.7	-88.2	-170.2	31.5	0	0	0	113.1
1680	S	32.5	Very low	27.9	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	72%	0.718	S	S	*	*			trans	178.4	91.8	153	55.4	0	0	0	0	109.6
1681	N	31.1	Very low	27.8	Very low	129 Å²	129	138.3 Å²	138.3	69%	0.69	73%	0.727	S	S	*	*				55.9	125	95.1	-72.8	1.7	0	0	0	114.5
1682	C	28.8	Very low	27.8	Very low	101 Å²	101	139.7 Å²	139.7	68%	0.682	73%	0.726	S	S	*	*			cis	-154.2	-178.8	7.8	-110	0	0	0	0	109.5
1683	N	29.5	Very low	27.8	Very low	129 Å²	129	136.7 Å²	136.7	69%	0.69	72%	0.723	S	S	*	*			cis	-146.5	160.9	14	-120.4	9.9	0	0	0	107.7
1684	I	29	Very low	27.7	Very low	124 Å²	124	136.7 Å²	136.7	64%	0.636	73%	0.725	S	S	*	*				61.3	120.8	60.8	-51.7	-176.8	0	0	0	114.4
1685	N	27.7	Very low	27.6	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	72%	0.718	S	S	*	*			cis	-169	164.8	-17.9	-108.6	-7.8	0	0	0	111
1686	N	27.9	Very low	27.8	Very low	141 Å²	141	138.2 Å²	138.2	75%	0.754	73%	0.727	S	S	*	*			trans	13.9	158.5	138.1	-61.1	-2	0	0	0	121.4
1687	C	23.8	Very low	27.6	Very low	113 Å²	113	141.8 Å²	141.8	76%	0.764	73%	0.732	S	S	*	*			cis	-160.8	-169.4	12.7	-137.9	0	0	0	0	114.2
1688	Y	23.2	Very low	27.6	Very low	207 Å²	207	142.6 Å²	142.6	81%	0.812	74%	0.737	S	S	*	*			trans	-54	167.7	167.5	-93.9	-105.5	0	0	0	117
1689	N	23.8	Very low	27.3	Very low	152 Å²	152	141.8 Å²	141.8	81%	0.813	73%	0.732	S	S	*	*			trans	76.3	118.3	162.9	-60.8	-15.5	0	0	0	118.2
1690	M	24.6	Very low	27.1	Very low	177 Å²	177	142.2 Å²	142.2	87%	0.872	74%	0.735	S	S	*	*				-163.2	147.5	96.7	-155.8	145.5	70.6	0	0	112.1
1691	F	22.2	Very low	26.9	Very low	194 Å²	194	141.4 Å²	141.4	85%	0.851	73%	0.729	S	S	*	*			trans	-112.5	112.4	167.4	-124.5	-76	0	0	0	108.3
1692	N	27.1	Very low	26.8	Very low	132 Å²	132	142.9 Å²	142.9	71%	0.706	73%	0.731	S	S	*	*			trans	58.8	167.4	161.1	-71.6	-3.7	0	0	0	121.7
1693	S	25.2	Very low	26.8	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	74%	0.737	S	S	*	*			trans	82.5	139.9	164.6	87.1	0	0	0	0	116.1
1694	D	25.7	Very low	26.9	Very low	132 Å²	132	146.6 Å²	146.6	71%	0.706	74%	0.735	S	S	*	*			cis	-167.6	168.7	-6.1	-130.3	16.6	0	0	0	115.9
1695	N	25.2	Very low	26.9	Very low	107 Å²	107	145.3 Å²	145.3	57%	0.572	74%	0.737	S	S	*	*			trans	62.7	157.8	154.4	-65.6	-49.5	0	0	0	118.3
1696	D	31.3	Very low	27	Very low	135 Å²	135	144 Å²	144	72%	0.722	74%	0.737	S	S	*	*			cis	-151.2	-178.6	24.5	-101.2	-41.5	0	0	0	109.9
1697	R	25	Very low	27.2	Very low	187 Å²	187	143.6 Å²	143.6	71%	0.706	74%	0.735	S	S	*	*			cis	-170	-178.5	-45.5	-112.6	-169.9	-171.5	-173.4	-1.2	109
1698	Y	32.4	Very low	27.5	Very low	218 Å²	218	144.7 Å²	144.7	86%	0.855	73%	0.732	S	S	*	*			trans	73.6	120.5	176.9	-61.9	-88.3	0	0	0	116.1
1699	N	25	Very low	27.8	Very low	140 Å²	140	140.8 Å²	140.8	75%	0.749	73%	0.726	S	S	*	*			cis	112.2	152.4	4.3	-160.4	27.5	0	0	0	115.2
1700	N	28	Very low	28.1	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	72%	0.718	S	S	*	*			trans	82.6	141.8	178.6	-63.3	-6.9	0	0	0	116.8
1701	S	28.3	Very low	28.4	Very low	90 Å²	90	137.6 Å²	137.6	63%	0.629	71%	0.712	S	S	*	*			cis	-169.2	146.2	-2.1	43	0	0	0	0	115.9
1702	H	28.8	Very low	28.5	Very low	161 Å²	161	135.1 Å²	135.1	75%	0.745	71%	0.707	S	S	*	*			trans	60.8	158.2	151.2	-64.8	-57.7	0	0	0	119.6
1703	F	28.5	Very low	28.4	Very low	181 Å²	181	137.1 Å²	137.1	79%	0.794	71%	0.709	S	S	*	*			cis	-122.8	129	18.3	-97.4	-109.8	0	0	0	112.9
1704	I	31.6	Very low	28.4	Very low	127 Å²	127	138.2 Å²	138.2	65%	0.651	71%	0.707	S	S	*	*				68.8	115.4	107.1	-64.3	-163.4	0	0	0	113.7
1705	S	28.8	Very low	28.2	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	71%	0.71	S	S	*	*			cis	-151.9	-160.6	-4.5	50	0	0	0	0	108.5
1706	S	30.7	Very low	28.2	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	72%	0.717	S	S	*	*			cis	-158.8	-151.4	17.7	57.8	0	0	0	0	113.3
1707	D	31	Very low	27.9	Very low	133 Å²	133	141.4 Å²	141.4	71%	0.711	72%	0.715	S	S	*	*				-154.9	171.5	-101.4	-55.3	-53.8	0	0	0	106.7
1708	I	30.9	Very low	28.1	Very low	137 Å²	137	139.7 Å²	139.7	70%	0.703	72%	0.72	S	S	*	*			cis	-158.4	158.4	3.2	-146.1	178.1	0	0	0	110.2
1709	N	29.8	Very low	27.9	Very low	125 Å²	125	138 Å²	138	67%	0.668	72%	0.718	S	S	*	*			trans	62.4	152.5	159.5	-70.4	3.8	0	0	0	121.6
1710	N	29.2	Very low	28.1	Very low	123 Å²	123	139.9 Å²	139.9	66%	0.658	73%	0.726	S	S	*	*			cis	-167.2	162.2	-31.8	-120.3	31.4	0	0	0	113
1711	D	30.6	Very low	28.1	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	72%	0.724	S	S	*	*			trans	71.8	173.8	144.9	-67.2	-37.2	0	0	0	124.6
1712	L	25.4	Very low	28.1	Very low	143 Å²	143	139.4 Å²	139.4	75%	0.749	73%	0.731	S	S	*	*			trans	-121.4	153.5	-153.8	-87.9	72.4	0	0	0	114.9
1713	K	25.1	Very low	28	Very low	174 Å²	174	140.5 Å²	140.5	76%	0.757	73%	0.734	S	S	*	*			trans	48.8	131.3	139.6	-71.4	-172.1	177.9	179.4	0	123.2
1714	N	24.4	Very low	28	Very low	122 Å²	122	137.9 Å²	137.9	65%	0.652	73%	0.726	S	S	*	*			trans	88.1	151.8	135.9	-68.5	9.5	0	0	0	122.2
1715	Y	23.2	Very low	27.9	Very low	194 Å²	194	138.7 Å²	138.7	76%	0.761	73%	0.731	S	S	*	*			trans	70.9	118.9	167.7	-65	-64.4	0	0	0	116.3
1716	D	24	Very low	28.1	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	73%	0.733	S	S	*	*				73.8	145.5	74.3	-83	-8.3	0	0	0	113.4
1717	T	25	Very low	27.9	Very low	111 Å²	111	143.3 Å²	143.3	68%	0.681	74%	0.737	S	S	*	*			cis	-156.4	158.6	2.5	8.9	0	0	0	0	110.7
1718	N	29.7	Very low	27.6	Very low	152 Å²	152	143.9 Å²	143.9	81%	0.813	74%	0.74	S	S	*	*			trans	167.7	128.1	143	-88	-37.4	0	0	0	109.4
1719	K	27.4	Very low	27.3	Very low	183 Å²	183	141.9 Å²	141.9	80%	0.796	73%	0.734	S	S	*	*			cis	98.9	89.7	18.3	-167.5	-173.7	-177.4	-179.6	0	115.2
1720	L	30	Very low	27.2	Very low	178 Å²	178	145.3 Å²	145.3	93%	0.932	74%	0.739	S	S	*	*			trans	-177.7	143.7	147.5	-104.6	154	0	0	0	113.6
1721	G	28.6	Very low	27	Very low	63 Å²	63	147.3 Å²	147.3	65%	0.649	74%	0.744	S	S	*	*			trans	75.9	113	171.1	0	0	0	0	0	116.1
1722	L	27.9	Very low	26.7	Very low	148 Å²	148	144.5 Å²	144.5	78%	0.775	74%	0.735	S	S	*	*			cis	68.5	126.8	36.6	-54.8	169.8	0	0	0	113.3	I1724	L1722-I1724 HydrophobicContact CD2-CD1 3.85Å
1723	K	26.6	Very low	26.8	Very low	185 Å²	185	146 Å²	146	80%	0.804	74%	0.739	S	S	*	*			cis	-131.1	149.8	14.2	-81.7	-171.4	176.3	176.2	0	112.7
1724	I	28.1	Very low	26.8	Very low	125 Å²	125	141.5 Å²	141.5	64%	0.641	73%	0.729	S	S	*	*				76.3	129.8	56.1	-86.8	167	0	0	0	111.1	L1722	L1722-I1724 HydrophobicContact CD2-CD1 3.85Å
1725	I	28.4	Very low	27	Very low	145 Å²	145	141.6 Å²	141.6	74%	0.744	73%	0.73	S	S	*	*			cis	-168	168	21.3	-132.4	174.9	0	0	0	109.7
1726	P	34.2	Very low	27.2	Very low	112 Å²	112	140.7 Å²	140.7	73%	0.727	73%	0.73	S	S	*	*				-139.3	-160.9	-50.6	36.9	-12.8	0	0	0	114.7
1727	K	26.2	Very low	27.3	Very low	183 Å²	183	141.6 Å²	141.6	80%	0.796	73%	0.733	S	S	*	*			trans	-69.5	160.6	163.2	-50.6	171.1	-179.3	178.8	0	113
1728	N	25.3	Very low	27.3	Very low	145 Å²	145	142 Å²	142	78%	0.775	74%	0.741	S	S	*	*			trans	158.6	160.8	133.2	-86.9	4.2	0	0	0	111.9
1729	T	23.6	Very low	27.2	Very low	95 Å²	95	140 Å²	140	58%	0.583	74%	0.739	S	S	*	*			cis	-171.1	173	-24	30.2	0	0	0	0	108.2
1730	Y	27.6	Very low	27.5	Very low	198 Å²	198	137.3 Å²	137.3	78%	0.776	74%	0.74	S	S	*	*			trans	76.1	124.6	166.4	-67.2	-69	0	0	0	115.9
1731	H	24.9	Very low	27.2	Very low	164 Å²	164	136 Å²	136	76%	0.759	73%	0.733	S	S	*	*				65.7	142.2	87.6	-84.4	-119.4	0	0	0	113.7
1732	S	24.6	Very low	27.1	Very low	79 Å²	79	141.3 Å²	141.3	55%	0.552	74%	0.739	S	S	*	*			cis	-170.6	163.2	-3	39.8	0	0	0	0	111
1733	E	27.2	Very low	27	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.822	74%	0.736	S	S	*	*			trans	63.7	171.4	156.4	-73.6	164.6	-135.1	0	0	117.4
1734	S	25.3	Very low	27	Very low	78 Å²	78	140.5 Å²	140.5	55%	0.545	73%	0.733	S	S	.	*			cis	-163.6	171.1	-40.7	60.8	0	0	0	0	109
1735	N	29.2	Very low	26.8	Very low	125 Å²	125	145 Å²	145	67%	0.668	74%	0.743	S	S	*	*			trans	66.8	161.3	166.1	-65.4	-57.3	0	0	0	117
1736	K	28.3	Very low	26.9	Very low	175 Å²	175	143.8 Å²	143.8	76%	0.761	74%	0.744	S	S	*	*			cis	-159.6	177.6	-40.6	-119.2	177.2	-169.4	163.5	0	108.9
1737	L	25.2	Very low	26.5	Very low	153 Å²	153	144.4 Å²	144.4	80%	0.801	74%	0.741	S	S	*	*			trans	-30.8	135.5	172.3	-69.3	65.2	0	0	0	115.5
1738	S	25.6	Very low	26.5	Very low	121 Å²	121	141.7 Å²	141.7	85%	0.846	73%	0.734	S	S	*	*				175.6	156.3	102.2	44.2	0	0	0	0	112.7
1739	S	27.8	Very low	26.5	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	74%	0.736	S	S	*	*			trans	-104.1	157.5	161.5	51.6	0	0	0	0	109.6
1740	P	32.1	Very low	26.6	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	74%	0.74	S	S	*	*				-137.4	-171.8	115	38.7	-27.9	0	0	0	113.2
1741	L	25.4	Very low	26.8	Very low	150 Å²	150	138.7 Å²	138.7	79%	0.785	73%	0.731	S	S	*	*			trans	-119.4	163.9	-172.3	-84.8	149.4	0	0	0	112.5
1742	F	26.1	Very low	27.1	Very low	174 Å²	174	139.6 Å²	139.6	76%	0.763	74%	0.736	S	S	*	*			trans	80.2	139.3	153.1	-83.9	-64.2	0	0	0	121.8
1743	E	25	Very low	27.5	Very low	154 Å²	154	138.9 Å²	138.9	72%	0.72	74%	0.741	S	S	*	*			trans	71.1	139.4	152.2	-70	-178.8	147.2	0	0	119.2
1744	H	26.5	Very low	27.7	Very low	162 Å²	162	136.9 Å²	136.9	75%	0.75	74%	0.736	S	S	*	*			cis	-137.9	172.8	4.5	-87.5	-43.1	0	0	0	112.8
1745	R	23.7	Very low	28.3	Very low	221 Å²	221	137.7 Å²	137.7	83%	0.834	73%	0.731	S	S	*	*			trans	-58.7	161.3	156.6	-112.8	179.5	-179.4	168.9	-0.5	111
1746	P	31.8	Very low	28.6	Very low	118 Å²	118	134.2 Å²	134.2	77%	0.766	72%	0.716	S	S	*	*				-149.8	-170.1	57.9	42.4	-21.3	0	0	0	117.5
1747	N	25.5	Very low	28.9	Very low	125 Å²	125	132.3 Å²	132.3	67%	0.668	70%	0.704	S	S	*	*			trans	-55.2	174.8	173.3	-42	-26.8	0	0	0	112.9
1748	L	25.6	Very low	29.5	Very low	126 Å²	126	134 Å²	134	66%	0.66	70%	0.7	S	S	*	*			cis	-174.5	154.2	39.5	-164.9	66.3	0	0	0	111.4
1749	F	25.9	Very low	29.9	Very low	185 Å²	185	132.7 Å²	132.7	81%	0.811	69%	0.687	S	S	*	*			trans	62.6	160.8	171.1	-63.8	-55.2	0	0	0	117
1750	S	25.3	Very low	30	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	69%	0.692	S	S	*	*			cis	-165.5	-167.4	-22.7	55.4	0	0	0	0	107.6
1751	T	32.3	Very low	30.1	Very low	96 Å²	96	133.5 Å²	133.5	59%	0.589	69%	0.686	S	S	*	*			cis	-159.2	174.4	3.6	-16.2	0	0	0	0	109.6
1752	E	31.9	Very low	30.3	Very low	183 Å²	183	132.1 Å²	132.1	86%	0.855	69%	0.689	S	S	*	*			trans	53.3	147.4	148.5	-70.3	137.5	-173.9	0	0	122.4
1753	G	33	Very low	30.4	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	69%	0.688	S	S	*	*			cis	165.7	151.6	-9	0	0	0	0	0	114.2
1754	N	31	Very low	30.3	Very low	134 Å²	134	129 Å²	129	72%	0.717	70%	0.696	S	S	*	*			trans	40.9	153.1	138.1	-62.2	3.5	0	0	0	122.7
1755	H	36.7	Very low	30.3	Very low	95 Å²	95	129.8 Å²	129.8	44%	0.44	70%	0.702	S	S	.	*			cis	-160.5	-139.6	-11.7	-83	-49.5	0	0	0	112.7	D1770	H1755-D1770 HydrophobicContact CB-CB 4.14Å; H1755-D1770 VanDerWaalsContact CB-N 3.34Å; H1755-D1770 WeakPolarHBondContact CB-OD1 3.21Å; H1755-D1770 WeakPolarHBondContact CB-OD2 3.31Å; H1755-D1770 VanDerWaalsContact CD2-CA 3.42Å; H1755-D1770 WeakPolarHBondContact CD2-CA 3.46Å; H1755-D1770 PolarHBondContact CD2-N 3.26Å; H1755-D1770 IonicContact CD2-OD1 3.8Å; H1755-D1770 PolarHBondContact CD2-OD1 2.76Å; H1755-D1770 VanDerWaalsContact CD2-OD1 3.24Å; H1755-D1770 PolarHBondContact CE1-N 3.46Å; H1755-D1770 IonicContact CG-OD1 3.03Å; H1755-D1770 IonicContact CG-OD2 3.8Å; H1755-D1770 PolarHBondContact ND1-N 2.71Å; H1755-D1770 VanDerWaalsContact ND1-N 3.11Å; H1755-D1770 PolarHBondContact NE2-N 2.83Å
1756	S	35.4	Very low	30.5	Very low	52 Å²	52	126.1 Å²	126.1	36%	0.364	70%	0.699	S	S	.	*			trans	-156.1	-132.2	-155.7	-5.7	0	0	0	0	124.4	I1768 T1769 D1770	S1756-I1768 WeakPolarHBondContact OG-CA 3.41Å; S1756-I1768 WeakPolarHBondContact OG-CB 3.39Å; S1756-I1768 VanDerWaalsContact OG-CG1 3.3Å; S1756-I1768 WeakPolarHBondContact OG-CG1 3.02Å; S1756-I1768 WeakPolarHBondContact OG-CG2 3.26Å; S1756-T1769 VanDerWaalsContact OG-CA 3.31Å; S1756-T1769 WeakPolarHBondContact OG-CA 3.32Å; S1756-T1769 PolarHBondContact OG-N 3.41Å; S1756-D1770 PolarHBondContact N-OD2 3.37Å
1757	R	35.7	Very low	30.5	Very low	135 Å²	135	124.6 Å²	124.6	51%	0.509	69%	0.688	S	S	.	*			cis	-160.1	163.6	6	-179.6	-171.9	-101.9	146.7	14.3	112.8	I1768 T1769 D1770	R1757-I1768 VanDerWaalsContact CB-C 3.5Å; R1757-I1768 VanDerWaalsContact CG-C 3.42Å; R1757-I1768 VanDerWaalsContact CG-N 3.32Å; R1757-I1768 VanDerWaalsContact CZ-O 3.28Å; R1757-I1768 VanDerWaalsContact NE-C 3.31Å; R1757-I1768 PolarHBondContact NE-O 3.24Å; R1757-I1768 PolarHBondContact NH2-O 2.82Å; R1757-T1769 VanDerWaalsContact CB-CB 3.43Å; R1757-T1769 HydrophobicContact CB-CG2 3.26Å; R1757-T1769 WeakPolarHBondContact CB-OG1 3.2Å; R1757-T1769 WeakPolarHBondContact CD-OG1 3.18Å; R1757-T1769 HydrophobicContact CG-CG2 4.43Å; R1757-T1769 VanDerWaalsContact N-CG2 3.3Å; R1757-T1769 PolarHBondContact NE-OG1 2.8Å; R1757-T1769 PolarHBondContact NH1-OG1 2.83Å; R1757-T1769 PolarHBondContact NH2-OG1 3.24Å; R1757-D1770 PolarHBondContact NH1-O 2.77Å
1758	R	37.4	Very low	30.7	Very low	189 Å²	189	124.4 Å²	124.4	71%	0.713	69%	0.685	S	S	*	*			trans	115.5	107.8	133.7	-129.7	-174.6	179	157.2	1.5	120.1	T1767	R1758-T1767 PolarHBondContact N-O 2.75Å; R1758-T1767 PolarHBondContact N-OG1 3.46Å
1759	T	33.6	Very low	31.1	Very low	93 Å²	93	120.3 Å²	120.3	57%	0.571	67%	0.666	S	S	*	*			trans	41	143.7	138.7	62.8	0	0	0	0	121.7
1760	E	31.1	Very low	31.2	Very low	186 Å²	186	114.1 Å²	114.1	87%	0.869	64%	0.641	S	S	*	*			cis	-164.4	143.8	-5.6	-116	166	-147.4	0	0	106.7
1761	G	33.1	Very low	31.5	Very low	67 Å²	67	114.4 Å²	114.4	69%	0.691	64%	0.635	S	S	*	*			trans	-165.7	17.6	-166.6	0	0	0	0	0	120.5
1762	S	28.8	Very low	31.3	Very low	121 Å²	121	117.6 Å²	117.6	85%	0.846	64%	0.643	S	S	*	*	S	Bend	trans	61.2	130	178.6	71.7	0	0	0	0	116.7
1763	A	28.4	Very low	31.2	Very low	92 Å²	92	114.1 Å²	114.1	76%	0.76	63%	0.634	S	S	*	*	S	Bend	trans	66.7	110.2	-173.2	0	0	0	0	0	116.2
1764	I	24.2	Very low	30.9	Very low	171 Å²	171	115.6 Å²	115.6	88%	0.877	63%	0.634	S	S	*	*	S	Bend	trans	57.5	54	152.2	-34.9	-179.6	0	0	0	117.6
1765	M	26.4	Very low	30.7	Very low	178 Å²	178	118.9 Å²	118.9	88%	0.877	64%	0.643	S	S	*	*			trans	-166.8	153	158.8	-100.8	162.6	-177.1	0	0	108.9
1766	N	28	Very low	30.1	Very low	143 Å²	143	122.4 Å²	122.4	77%	0.765	66%	0.661	S	S	*	*			cis	115.8	143.4	9.3	-82.1	-16.2	0	0	0	116.8
1767	T	31.2	Very low	30.1	Very low	87 Å²	87	124.7 Å²	124.7	53%	0.534	68%	0.675	S	S	.	*			trans	94.7	137	171.4	73.4	0	0	0	0	120.6	R1758	R1758-T1767 PolarHBondContact N-O 2.75Å; R1758-T1767 PolarHBondContact N-OG1 3.46Å
1768	I	30.6	Very low	29.9	Very low	121 Å²	121	123.3 Å²	123.3	62%	0.621	69%	0.686	S	S	*	*			cis	179.8	-114.1	-17.5	-152.9	165.4	0	0	0	117.3	S1756 R1757	S1756-I1768 WeakPolarHBondContact OG-CA 3.41Å; S1756-I1768 WeakPolarHBondContact OG-CB 3.39Å; S1756-I1768 VanDerWaalsContact OG-CG1 3.3Å; S1756-I1768 WeakPolarHBondContact OG-CG1 3.02Å; S1756-I1768 WeakPolarHBondContact OG-CG2 3.26Å; R1757-I1768 VanDerWaalsContact CB-C 3.5Å; R1757-I1768 VanDerWaalsContact CG-C 3.42Å; R1757-I1768 VanDerWaalsContact CG-N 3.32Å; R1757-I1768 VanDerWaalsContact CZ-O 3.28Å; R1757-I1768 VanDerWaalsContact NE-C 3.31Å; R1757-I1768 PolarHBondContact NE-O 3.24Å; R1757-I1768 PolarHBondContact NH2-O 2.82Å
1769	T	32.1	Very low	29.5	Very low	40 Å²	40	125 Å²	125	25%	0.245	69%	0.692	C	S	.	*			cis	-132.5	-168.1	2.5	29.8	0	0	0	0	106.8	S1756 R1757	S1756-T1769 VanDerWaalsContact OG-CA 3.31Å; S1756-T1769 WeakPolarHBondContact OG-CA 3.32Å; S1756-T1769 PolarHBondContact OG-N 3.41Å; R1757-T1769 VanDerWaalsContact CB-CB 3.43Å; R1757-T1769 HydrophobicContact CB-CG2 3.26Å; R1757-T1769 WeakPolarHBondContact CB-OG1 3.2Å; R1757-T1769 WeakPolarHBondContact CD-OG1 3.18Å; R1757-T1769 HydrophobicContact CG-CG2 4.43Å; R1757-T1769 VanDerWaalsContact N-CG2 3.3Å; R1757-T1769 PolarHBondContact NE-OG1 2.8Å; R1757-T1769 PolarHBondContact NH1-OG1 2.83Å; R1757-T1769 PolarHBondContact NH2-OG1 3.24Å
1770	D	29.3	Very low	29.3	Very low	55 Å²	55	126.6 Å²	126.6	29%	0.294	69%	0.693	S	S	.	*				41.4	146.5	66.6	-30.7	-99.7	0	0	0	116	H1755 S1756 R1757	H1755-D1770 HydrophobicContact CB-CB 4.14Å; H1755-D1770 VanDerWaalsContact CB-N 3.34Å; H1755-D1770 WeakPolarHBondContact CB-OD1 3.21Å; H1755-D1770 WeakPolarHBondContact CB-OD2 3.31Å; H1755-D1770 VanDerWaalsContact CD2-CA 3.42Å; H1755-D1770 WeakPolarHBondContact CD2-CA 3.46Å; H1755-D1770 PolarHBondContact CD2-N 3.26Å; H1755-D1770 IonicContact CD2-OD1 3.8Å; H1755-D1770 PolarHBondContact CD2-OD1 2.76Å; H1755-D1770 VanDerWaalsContact CD2-OD1 3.24Å; H1755-D1770 PolarHBondContact CE1-N 3.46Å; H1755-D1770 IonicContact CG-OD1 3.03Å; H1755-D1770 IonicContact CG-OD2 3.8Å; H1755-D1770 PolarHBondContact ND1-N 2.71Å; H1755-D1770 VanDerWaalsContact ND1-N 3.11Å; H1755-D1770 PolarHBondContact NE2-N 2.83Å; S1756-D1770 PolarHBondContact N-OD2 3.37Å; R1757-D1770 PolarHBondContact NH1-O 2.77Å
1771	N	30.7	Very low	29.3	Very low	101 Å²	101	126.5 Å²	126.5	54%	0.54	69%	0.692	S	S	.	*			cis	-152.7	-171.9	-5.4	-130.2	2	0	0	0	109
1772	E	28.9	Very low	29.2	Very low	162 Å²	162	129 Å²	129	76%	0.757	69%	0.686	S	S	*	*			cis	-147.8	145.9	14.4	-154.6	137	-78.4	0	0	114.9
1773	V	29.4	Very low	29.2	Very low	111 Å²	111	130.8 Å²	130.8	67%	0.673	68%	0.681	S	S	*	*			trans	9.1	103.5	156.1	179.5	0	0	0	0	120.8
1774	S	26.3	Very low	29.2	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	68%	0.68	S	S	*	*			trans	69.7	165.4	136.8	82.4	0	0	0	0	120.7
1775	F	28	Very low	29.8	Very low	203 Å²	203	130 Å²	130	89%	0.89	67%	0.671	S	S	*	*			cis	-140.4	-178.1	7.1	-123.3	-70.5	0	0	0	112.1
1776	M	23.5	Very low	29.9	Very low	170 Å²	170	130 Å²	130	84%	0.837	67%	0.668	S	S	*	*			trans	-98.4	-173.3	-170.4	-124.3	-166.5	179.4	0	0	113
1777	P	36.2	Very low	29.8	Very low	100 Å²	100	130.9 Å²	130.9	65%	0.649	67%	0.67	S	S	*	*			cis	-142.8	-177.4	-7	39.8	-19.2	0	0	0	118.5
1778	S	30.1	Very low	29.5	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	68%	0.679	S	S	*	*			trans	106.8	107.2	134.6	71.8	0	0	0	0	124.4
1779	R	29.9	Very low	29.4	Very low	224 Å²	224	136.6 Å²	136.6	85%	0.845	69%	0.688	S	S	*	*			trans	68.2	141.8	139	-72.7	-169.8	176.7	178	-0.2	124.8
1780	H	29.7	Very low	28.9	Very low	127 Å²	127	140.2 Å²	140.2	59%	0.588	72%	0.715	S	S	*	*			trans	73.2	99.9	161.3	-62.7	-46.8	0	0	0	120.5	E1782	H1780-E1782 WeakPolarHBondContact CA-OE1 3.24Å; H1780-E1782 IonicContact CE1-OE1 3.13Å; H1780-E1782 IonicContact CG-OE1 3.16Å; H1780-E1782 IonicContact ND1-OE1 3.62Å; H1780-E1782 PolarHBondContact ND1-OE1 3.19Å; H1780-E1782 IonicContact ND1-OE2 2.75Å
1781	H	31.2	Very low	28.7	Very low	184 Å²	184	143.1 Å²	143.1	85%	0.852	73%	0.734	S	S	*	*				-166	154.9	109.1	-104	-65.1	0	0	0	111.3
1782	E	29.5	Very low	28.4	Very low	121 Å²	121	147.9 Å²	147.9	57%	0.565	75%	0.751	S	S	*	*			trans	-141.9	162.7	-160.4	-58.6	87.7	-172.4	0	0	109.9	H1780	H1780-E1782 WeakPolarHBondContact CA-OE1 3.24Å; H1780-E1782 IonicContact CE1-OE1 3.13Å; H1780-E1782 IonicContact CG-OE1 3.16Å; H1780-E1782 IonicContact ND1-OE1 3.62Å; H1780-E1782 PolarHBondContact ND1-OE1 3.19Å; H1780-E1782 IonicContact ND1-OE2 2.75Å
1783	E	29.3	Very low	28.2	Very low	157 Å²	157	148 Å²	148	73%	0.734	76%	0.756	S	S	*	*			cis	-163.3	159.9	9	-140	-174	47	0	0	114.7
1784	L	29.3	Very low	28.1	Very low	141 Å²	141	150.2 Å²	150.2	74%	0.738	76%	0.76	S	S	*	*			trans	73.5	166	145.1	-107.4	66.8	0	0	0	122.6
1785	P	35.6	Very low	28.1	Very low	107 Å²	107	151 Å²	151	70%	0.695	76%	0.756	S	S	*	*				-147.3	-136.4	-115.1	50.4	-27.4	0	0	0	117.4
1786	E	28.7	Very low	28.1	Very low	176 Å²	176	151.7 Å²	151.7	82%	0.822	76%	0.755	S	S	*	*			trans	84.8	118.8	179	-53.7	-152	145.4	0	0	114.7
1787	M	25.6	Very low	28.1	Very low	162 Å²	162	149.9 Å²	149.9	80%	0.798	75%	0.748	S	S	*	*			cis	66.2	131.2	32.1	-67.9	-157.9	-179.4	0	0	114.5
1788	K	26.3	Very low	27.8	Very low	166 Å²	166	153 Å²	153	72%	0.722	76%	0.759	S	S	*	*			cis	-160	153.5	23.1	-131.4	164	-171.9	167.5	0	113.8
1789	M	27.4	Very low	27.4	Very low	163 Å²	163	152.3 Å²	152.3	80%	0.803	75%	0.75	S	S	*	*			trans	55.6	94.2	150	-73.3	158	62.5	0	0	119.7
1790	S	21.7	Very low	27.2	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	74%	0.741	S	S	*	*			trans	-117.8	118.2	151.1	58.1	0	0	0	0	110
1791	T	25.5	Very low	27	Very low	116 Å²	116	152.4 Å²	152.4	71%	0.712	75%	0.751	S	S	*	*			trans	-152	136.5	176	17.2	0	0	0	0	112.6
1792	F	25.1	Very low	26.9	Very low	200 Å²	200	151.6 Å²	151.6	88%	0.877	75%	0.752	S	S	*	*			trans	51.5	108.4	163.2	-79	-92.7	0	0	0	119.2
1793	N	24.5	Very low	26.6	Very low	165 Å²	165	150.4 Å²	150.4	88%	0.882	76%	0.757	S	S	*	*				-152.5	145.8	119.3	-129.7	-18.5	0	0	0	112.2
1794	Q	26.9	Very low	26.8	Very low	158 Å²	158	147.9 Å²	147.9	74%	0.738	75%	0.754	S	S	*	*			trans	-153.8	121.3	170.2	-139.6	-167.8	21.8	0	0	110.2
1795	N	25.2	Very low	26.7	Very low	109 Å²	109	150.8 Å²	150.8	58%	0.583	76%	0.757	S	S	*	*			trans	66	155.2	164.9	-46.3	-33.2	0	0	0	116.1
1796	Y	28.8	Very low	26.2	Very low	219 Å²	219	150.7 Å²	150.7	86%	0.859	75%	0.751	S	S	*	*			cis	-139.3	164.7	4.8	-104	-60.4	0	0	0	111.6
1797	N	23.8	Very low	26.2	Very low	131 Å²	131	149.7 Å²	149.7	70%	0.701	75%	0.751	S	S	*	*			trans	-73.4	153.2	173.9	-90.7	-31.8	0	0	0	114.1
1798	L	28.9	Very low	26.1	Very low	167 Å²	167	146.6 Å²	146.6	87%	0.874	74%	0.741	S	S	*	*			trans	-165.9	140.9	132.5	-109.3	165.6	0	0	0	112.7
1799	T	23.6	Very low	26.1	Very low	90 Å²	90	144.6 Å²	144.6	55%	0.552	74%	0.743	S	S	*	*			trans	-73.6	160.9	174.5	41.4	0	0	0	0	111.6	L1495	L1495-T1799 HydrophobicContact CD1-CG2 4.03Å
1800	E	24.2	Very low	25.9	Very low	141 Å²	141	145.7 Å²	145.7	66%	0.659	74%	0.743	S	S	*	*				-174.2	161.2	70.4	-138.2	-177.6	-111.3	0	0	113.6
1801	R	25.6	Very low	26	Very low	211 Å²	211	146.3 Å²	146.3	80%	0.796	74%	0.742	S	S	*	*			trans	64.8	117.7	161.8	-58.8	177.2	-162.1	179.1	9.6	120.5
1802	L	28.7	Very low	26	Very low	167 Å²	167	146 Å²	146	87%	0.874	74%	0.744	S	S	*	*				-157.8	167.6	109.1	-106.5	167.5	0	0	0	111.1
1803	S	24.8	Very low	25.9	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	73%	0.734	S	S	*	*			trans	-99.2	162.3	-174.3	54.5	0	0	0	0	112.8
1804	P	32.1	Very low	25.9	Very low	104 Å²	104	138.6 Å²	138.6	68%	0.675	73%	0.726	S	S	*	*			trans	-85.7	-177.5	-168	36.2	-38.5	0	0	0	115.2
1805	Y	27.9	Very low	25.7	Very low	203 Å²	203	135.4 Å²	135.4	80%	0.796	71%	0.713	S	S	*	*			trans	72.8	131.7	-170.4	-53.9	-83.4	0	0	0	113
1806	D	25.1	Very low	25.7	Very low	105 Å²	105	136.1 Å²	136.1	56%	0.561	71%	0.711	S	S	*	*			cis	-136	160.2	-0.2	-93.3	-41.7	0	0	0	110.8
1807	N	27.9	Very low	25.6	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	69%	0.692	S	S	*	*			trans	-158.5	79.3	154.9	-120.7	-19.1	0	0	0	112.8
1808	T	23.3	Very low	25.6	Very low	96 Å²	96	131.3 Å²	131.3	59%	0.589	69%	0.692	S	S	*	*			trans	-87.1	104.9	163.1	48.4	0	0	0	0	109.8
1809	V	27.3	Very low	25.7	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	68%	0.684	S	S	*	*			trans	-129	136.4	163.8	-179.6	0	0	0	0	108.6
1810	F	23.3	Very low	25.8	Very low	186 Å²	186	131.1 Å²	131.1	82%	0.816	69%	0.693	S	S	*	*			trans	-102	160.9	-170.4	-112.7	-95	0	0	0	111.7
1811	V	23.6	Very low	25.9	Very low	129 Å²	129	129.5 Å²	129.5	78%	0.782	70%	0.697	S	S	*	*			trans	69	118.4	167	179.2	0	0	0	0	113.5
1812	S	25	Very low	25.9	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	69%	0.69	S	S	*	*				-130.9	141.5	65.5	52.4	0	0	0	0	116.8
1813	S	22.6	Very low	25.8	Very low	94 Å²	94	124.6 Å²	124.6	66%	0.657	69%	0.686	S	S	*	*			trans	-104.5	124.9	169.5	53.1	0	0	0	0	110.3
1814	T	25.9	Very low	25.9	Very low	117 Å²	117	127.2 Å²	127.2	72%	0.718	69%	0.687	S	S	*	*			trans	-127.2	63	172.4	51.8	0	0	0	0	112.5
1815	I	22.8	Very low	25.7	Very low	91 Å²	91	128 Å²	128	47%	0.467	69%	0.691	S	S	.	*			trans	-35.4	133.3	138.4	-93	168	0	0	0	110.7	D1638 S1639	D1638-I1815 VanDerWaalsContact CA-CG2 3.43Å; D1638-I1815 HydrophobicContact CB-CB 4.22Å; D1638-I1815 HydrophobicContact CB-CG2 3.38Å; D1638-I1815 WeakPolarHBondContact OD2-CA 3.44Å; D1638-I1815 VanDerWaalsContact OD2-CB 3.32Å; D1638-I1815 WeakPolarHBondContact OD2-CB 3.35Å; D1638-I1815 WeakPolarHBondContact OD2-CG1 3.31Å; D1638-I1815 WeakPolarHBondContact OD2-CG2 3.27Å; S1639-I1815 WeakPolarHBondContact CB-O 3.44Å; S1639-I1815 PolarHBondContact OG-O 3.45Å
1816	K	25.4	Very low	25.4	Very low	123 Å²	123	125.1 Å²	125.1	54%	0.535	69%	0.689	S	S	.	*			trans	-160.4	126.3	171.9	-133.2	-80.8	171.5	176.8	0	115.9	D1638 F1640	D1638-K1816 PolarHBondContact OD2-N 2.85Å; F1640-K1816 HydrophobicContact CD1-CG 3.77Å; F1640-K1816 HydrophobicContact CE1-CG 4.23Å; F1640-K1816 HydrophobicContact CG-CG 4.28Å
1817	Y	25	Very low	25.5	Very low	120 Å²	120	128 Å²	128	47%	0.471	70%	0.703	S	S	.	*			trans	-31	135.2	178.7	-89.8	-80.1	0	0	0	118.6	T1637 D1638 S1639	T1637-Y1817 VanDerWaalsContact C-CZ 3.48Å; T1637-Y1817 WeakPolarHBondContact O-CD1 3.48Å; T1637-Y1817 VanDerWaalsContact O-CD2 3.29Å; T1637-Y1817 WeakPolarHBondContact O-CD2 3.41Å; T1637-Y1817 WeakPolarHBondContact O-CE1 3.06Å; T1637-Y1817 VanDerWaalsContact O-CE2 3.28Å; T1637-Y1817 WeakPolarHBondContact O-CE2 3.12Å; D1638-Y1817 WeakPolarHBondContact O-CD2 3.49Å; D1638-Y1817 VanDerWaalsContact O-CE2 3.27Å; D1638-Y1817 WeakPolarHBondContact O-CE2 3.44Å; D1638-Y1817 PolarHBondContact O-N 3.26Å; S1639-Y1817 WeakPolarHBondContact O-CE2 3.34Å
1818	N	25	Very low	25.3	Very low	129 Å²	129	127.3 Å²	127.3	69%	0.69	70%	0.699	S	S	*	*			trans	-97.4	125.1	153.3	-168.8	26.7	0	0	0	109.4
1819	P	30.3	Very low	25.3	Very low	109 Å²	109	128.7 Å²	128.7	71%	0.708	71%	0.711	S	S	*	*			trans	-103.1	144.4	-174.9	36.9	-32.4	0	0	0	114.4
1820	I	26.2	Very low	25.1	Very low	145 Å²	145	126.2 Å²	126.2	74%	0.744	71%	0.711	S	S	*	*			trans	-146.2	139.5	-169.7	-59.3	179.8	0	0	0	110
1821	S	25.7	Very low	25.1	Very low	106 Å²	106	126 Å²	126	74%	0.741	71%	0.712	S	S	*	*			cis	-161	-93.3	-26.4	57.8	0	0	0	0	109.3
1822	I	25.8	Very low	25.1	Very low	127 Å²	127	128.3 Å²	128.3	65%	0.651	72%	0.717	S	S	*	*			trans	61.1	93.3	161.3	-53.8	176.2	0	0	0	117.9
1823	N	27.5	Very low	25.1	Very low	148 Å²	148	130 Å²	130	79%	0.791	71%	0.707	S	S	*	*				169.4	157.5	116.8	-89.8	-39.1	0	0	0	110.5
1824	H	26.3	Very low	25.1	Very low	151 Å²	151	131.5 Å²	131.5	70%	0.699	71%	0.707	S	S	*	*				-171.2	163.3	-51.9	-132.6	-72.8	0	0	0	106.8
1825	T	27.2	Very low	25.1	Very low	122 Å²	122	128.3 Å²	128.3	75%	0.748	69%	0.685	S	S	*	*			trans	71.4	157.7	174.5	73.9	0	0	0	0	116.5
1826	N	22.4	Very low	25.2	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	69%	0.687	S	S	*	*			cis	-177	172.1	-47.6	-105.2	19.4	0	0	0	107.4
1827	I	27.3	Very low	25.2	Very low	165 Å²	165	126 Å²	126	85%	0.846	68%	0.68	S	S	*	*			trans	78.6	123.1	177.3	-47.3	165.8	0	0	0	112.3
1828	D	22.6	Very low	25.3	Very low	141 Å²	141	124.1 Å²	124.1	75%	0.754	68%	0.684	S	S	*	*			cis	116	142.3	4.2	-161.8	14.1	0	0	0	114.2
1829	C	23.8	Very low	25.4	Very low	124 Å²	124	123.2 Å²	123.2	84%	0.838	68%	0.679	S	S	*	*			trans	65.5	147.2	-172.3	-59.3	0	0	0	0	117.3
1830	G	24.1	Very low	25.1	Very low	73 Å²	73	122.9 Å²	122.9	75%	0.753	67%	0.668	S	S	*	*			cis	177.9	143	-9.1	0	0	0	0	0	115
1831	E	22.5	Very low	25.1	Very low	181 Å²	181	122.1 Å²	122.1	85%	0.846	66%	0.661	S	S	*	*			trans	29.1	136.6	155.5	-58.1	-177.6	167	0	0	126
1832	M	24.7	Very low	25.2	Very low	177 Å²	177	122.4 Å²	122.4	87%	0.872	65%	0.654	S	S	*	*				-177.2	167.5	116.6	-94.3	-163.6	77.2	0	0	113.9
1833	Y	23.1	Very low	25.2	Very low	145 Å²	145	122 Å²	122	57%	0.569	65%	0.654	S	S	*	*			trans	-117.1	177.9	-163.9	-70.1	-85.1	0	0	0	115.6	L1457	L1457-Y1833 HydrophobicContact CB-CD1 3.61Å; L1457-Y1833 HydrophobicContact CB-CD2 4.37Å; L1457-Y1833 HydrophobicContact CB-CE1 4.06Å; L1457-Y1833 HydrophobicContact CB-CG 3.77Å; L1457-Y1833 HydrophobicContact CD1-CD2 3.84Å; L1457-Y1833 HydrophobicContact CD1-CG 3.83Å; L1457-Y1833 HydrophobicContact CG-CG 4.41Å; L1457-Y1833 WeakPolarHBondContact O-CD1 3.16Å; L1457-Y1833 WeakPolarHBondContact O-CE1 3.18Å
1834	I	23.7	Very low	25.2	Very low	126 Å²	126	124 Å²	124	65%	0.646	66%	0.656	S	S	*	*				170.6	129.9	86	-72.4	-162.6	0	0	0	109	L1457	L1457-I1834 HydrophobicContact CD1-CD1 4.05Å; L1457-I1834 HydrophobicContact CD1-CG1 3.88Å; L1457-I1834 HydrophobicContact CD2-CB 4.37Å; L1457-I1834 HydrophobicContact CD2-CD1 3.97Å; L1457-I1834 HydrophobicContact CD2-CG1 3.83Å; L1457-I1834 HydrophobicContact CD2-CG2 4.19Å; L1457-I1834 HydrophobicContact CG-CG1 4.33Å
1835	N	24.9	Very low	25.6	Very low	49 Å²	49	121.6 Å²	121.6	26%	0.262	65%	0.653	S	S	.	*				68.7	145.2	88.9	-99.7	117.1	0	0	0	118.2	L1457 S1458 D1459	L1457-N1835 VanDerWaalsContact CA-OD1 3.27Å; L1457-N1835 WeakPolarHBondContact CA-OD1 3.28Å; L1457-N1835 WeakPolarHBondContact CB-OD1 3.24Å; L1457-N1835 HydrophobicContact CD2-CB 4.13Å; L1457-N1835 VanDerWaalsContact CD2-OD1 3.32Å; L1457-N1835 WeakPolarHBondContact CD2-OD1 3.36Å; S1458-N1835 PolarHBondContact N-OD1 3.07Å; D1459-N1835 CarbonylContact O-C 3.28Å; D1459-N1835 WeakPolarHBondContact O-CA 3.18Å; D1459-N1835 PolarHBondContact O-N 3.16Å
1836	N	26.6	Very low	25.5	Very low	94 Å²	94	123.6 Å²	123.6	50%	0.503	66%	0.658	S	S	.	*			cis	-171.2	116.4	14.5	-179.5	74.3	0	0	0	120.4	E1460	E1460-N1836 PolarHBondContact OE2-N 2.77Å
1837	N	24.9	Very low	25.7	Very low	71 Å²	71	120.3 Å²	120.3	38%	0.38	66%	0.658	S	S	.	*			trans	59.9	122.9	146.9	-82.8	-69.4	0	0	0	128.9	D1459 E1460	D1459-N1837 VanDerWaalsContact CG-ND2 3.35Å; D1459-N1837 PolarHBondContact OD2-ND2 2.82Å; E1460-N1837 WeakPolarHBondContact OE1-CA 3.12Å; E1460-N1837 PolarHBondContact OE1-N 3.5Å; E1460-N1837 PolarHBondContact OE2-N 2.86Å
1838	S	25.6	Very low	25.6	Very low	81 Å²	81	119 Å²	119	57%	0.566	65%	0.652	S	S	*	*				80.3	145.8	119.7	76.7	0	0	0	0	125.1	E1460	E1460-S1838 PolarHBondContact OE1-N 2.92Å
1839	L	27.9	Very low	25.8	Very low	111 Å²	111	119.3 Å²	119.3	58%	0.581	65%	0.653	S	S	*	*			trans	-177.2	173.7	148.1	-113	160.1	0	0	0	116
1840	E	24.7	Very low	25.9	Very low	101 Å²	101	119.3 Å²	119.3	47%	0.472	65%	0.645	S	S	.	*			trans	-135.2	156.8	-172.5	-102.3	175.7	119.2	0	0	116	N1209	N1209-E1840 HydrophobicContact CB-CB 4.1Å; N1209-E1840 WeakPolarHBondContact CB-OE2 3.14Å; N1209-E1840 PolarHBondContact ND2-OE2 3.49Å
1841	E	26.8	Very low	26.2	Very low	129 Å²	129	123.3 Å²	123.3	60%	0.603	65%	0.649	S	S	*	*			trans	41.1	134.4	158	-78.2	-154.2	170.1	0	0	128.2
1842	N	27.3	Very low	26.4	Very low	112 Å²	112	121.7 Å²	121.7	60%	0.599	65%	0.646	S	S	*	*			trans	94.8	100.6	137.3	-70.5	-32.5	0	0	0	126.2
1843	N	25.6	Very low	26.6	Very low	120 Å²	120	120.5 Å²	120.5	64%	0.642	64%	0.643	S	S	*	*				73.8	106.2	122.1	-60.2	-32.2	0	0	0	126.1
1844	F	26.4	Very low	26.8	Very low	190 Å²	190	119.9 Å²	119.9	83%	0.833	65%	0.65	S	S	*	*				60.5	168.9	121.2	-79.2	-66.5	0	0	0	122.7
1845	P	35.2	Very low	26.8	Very low	100 Å²	100	121 Å²	121	65%	0.649	66%	0.657	S	S	*	*			cis	-142	174.7	-17.2	33.9	-12.1	0	0	0	119.3
1846	L	26.3	Very low	27	Very low	163 Å²	163	127 Å²	127	85%	0.853	69%	0.687	S	S	*	*			trans	73.9	143.3	144.5	-79.7	160.3	0	0	0	123.4
1847	G	24.8	Very low	26.9	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	70%	0.702	S	S	*	*			trans	-174.7	-4.4	179.6	0	0	0	0	0	124.6
1848	I	25.7	Very low	27	Very low	139 Å²	139	135.4 Å²	135.4	71%	0.713	72%	0.723	S	S	*	*			trans	43.8	122.5	156	-55.3	165.5	0	0	0	121.9
1849	N	27.9	Very low	27	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	73%	0.73	S	S	*	*				-166.7	165.4	124.1	-122.3	-43.5	0	0	0	117.3
1850	N	25.6	Very low	26.9	Very low	123 Å²	123	137 Å²	137	66%	0.658	74%	0.737	S	S	*	*			trans	-90.9	154.1	-160.6	-43.3	-62.9	0	0	0	117.3
1851	N	30	Very low	27	Very low	158 Å²	158	139 Å²	139	85%	0.845	75%	0.75	S	S	*	*				174.8	168.6	102.8	-100.3	-20	0	0	0	115.3
1852	N	26	Very low	27	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	76%	0.758	S	S	*	*			trans	-88	156.2	-178.7	-52.1	-33.4	0	0	0	113.1
1853	D	29.6	Very low	27.1	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	76%	0.76	S	S	*	*				-179.8	180	97.5	-119.3	-40.5	0	0	0	114.9
1854	N	27.8	Very low	27.2	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	77%	0.771	S	S	*	*			trans	-100.1	149.4	-166.2	-77.7	-87.4	0	0	0	117.5
1855	N	24	Very low	27.3	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	76%	0.761	S	S	*	*			trans	48.8	120.7	146.1	-74.8	-48	0	0	0	121.6
1856	I	28.6	Very low	26.9	Very low	175 Å²	175	143.4 Å²	143.4	90%	0.897	77%	0.772	S	S	*	*			trans	-157.9	156	135.2	-107.2	153.8	0	0	0	110.4
1857	K	24.9	Very low	27	Very low	188 Å²	188	141.9 Å²	141.9	82%	0.817	76%	0.764	S	S	*	*			trans	-101.9	151.2	-177.4	-58.9	176.2	178.7	177.6	0	112.4
1858	L	26.4	Very low	27.4	Very low	155 Å²	155	149.3 Å²	149.3	81%	0.812	79%	0.787	S	S	*	*				142.1	138.7	127.2	-84.3	142.9	0	0	0	114
1859	C	25.1	Very low	27.5	Very low	108 Å²	108	149.9 Å²	149.9	73%	0.73	79%	0.79	S	S	*	*			trans	65.3	135.2	150.5	-68.5	0	0	0	0	119.4
1860	T	25.4	Very low	27.5	Very low	118 Å²	118	150 Å²	150	72%	0.724	79%	0.791	S	S	*	*			cis	-166.9	169.7	-13	-5.5	0	0	0	0	110.3
1861	I	27.7	Very low	27.6	Very low	143 Å²	143	151.5 Å²	151.5	73%	0.733	80%	0.798	S	S	*	*			trans	82.8	120.6	161.7	-65	153.4	0	0	0	117.8
1862	N	26.8	Very low	27.4	Very low	147 Å²	147	151.1 Å²	151.1	79%	0.786	80%	0.795	S	S	*	*			trans	61.2	149.7	157.7	-64.7	0.8	0	0	0	121.9
1863	S	29.1	Very low	27.5	Very low	91 Å²	91	151.4 Å²	151.4	64%	0.636	80%	0.796	S	S	*	*			cis	-178.9	121.8	-44.4	46.2	0	0	0	0	112.3
1864	K	28.3	Very low	27.4	Very low	199 Å²	199	151.3 Å²	151.3	87%	0.865	80%	0.795	S	S	*	*			trans	61.5	166.9	161.3	-66.9	-179.5	164.8	-168.7	0	115.8
1865	L	27.5	Very low	27.4	Very low	119 Å²	119	152.7 Å²	152.7	62%	0.623	80%	0.801	S	S	*	*			cis	-143.6	149.6	-0.5	-164.3	78.4	0	0	0	109.6	N1867	L1865-N1867 HydrophobicContact CD2-CB 4.2Å; L1865-N1867 HydrophobicContact CG-CB 4.1Å
1866	E	27	Very low	27.6	Very low	187 Å²	187	153.1 Å²	153.1	87%	0.874	80%	0.802	S	S	*	*			trans	-173.1	127.2	148.1	-113.3	174.6	-154.7	0	0	107.4
1867	N	29.7	Very low	27.5	Very low	130 Å²	130	151.3 Å²	151.3	70%	0.695	79%	0.794	S	S	*	*			cis	48.9	88.2	-26.8	-83.1	74.8	0	0	0	118.7	L1865	L1865-N1867 HydrophobicContact CD2-CB 4.2Å; L1865-N1867 HydrophobicContact CG-CB 4.1Å
1868	D	32.6	Very low	27.8	Very low	230 Å²	230	147.9 Å²	147.9	100%	1.23	79%	0.792	S	S	*	*				-119.3	0	95.2	-92.6	-32.1	0	0	0	109.6

Retrieved 1,868 of 1,868 residues in 359 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).