A0A5K4F0Y2_SCHMA Loading...

Acyl-CoA:glycerol-3-phosphate acyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F0Y2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,121 aa.

						>A0A5K4F0Y2_SCHMA|A0A5K4F0Y2
MINEQLFDYSQVSSTYTDMPKAKGFRLYNLLFHPWILMFFHFFILTICDGGNVISYSTNMNQQNISIPISTNISGVFRSTATCSFLKTPIASDTNGLFSEILLSDLKPNGTIAFQCSQVGHEVLFFCHDKVNSSVLFSNKSWIQCRKPPVVSIAPRTVRLLKKPTPFNQRMIILTSEIVSESNIIVTCLKKDESTDILVSINPVTVYSGTSTGVVSVTIQSISSAQSFTISCKAQSINGNQYTSATSEGSSSVISLISGEIILTPNDVNLYSLQFQVLLFLNGLNQDLGVLCSVNVANNETQANNLLSDNTCGIVSTNVVPSSSWSVTPSLNEFRASSISSRTDSLTRLLTVKRNSYPTSEYDNTMEILILKCCSTTNNVTMDPAFANIVTTSRINVLLKSRLIVNKGEELPTDQAFPYPDPVWTNISPCPCDLTINTCDLGCPCDNMCPVNQSTVKSSSFFGGYFNLPNYHSCDAMLDRIENQENKIDLINRGFTKLPDYHPLLCVAVDNSAVLGKYHSSLSPARSLSDFNKNVKNAKIEYPLDQISDSGVREVIVEQKNEKQRSYINGDPLLLMIQPVILTSSDDPIILVSQYNEYFVLPNEMNCDLESNIPVEYLSGRNTYRCPIVLSVMQCQDAINIKNNIGIGWGPRTLLDRLFARAYLIDDLAISRYSEPIFRLRMNRLRDDTPVPVKVDYLCLKQNELQNFTMSSQSNINVDQINQTGFFNHNCTYNATSKLTSCIPSQNSVKSNPLVPTTCPWHNGFDLPPDIDLLNNMCNNVVLKVDYKFVWSNGSIQQALAQVYVANLPVTSTETTYYQEYSVKFIHTTEVDNEIDTKLPSHLYGYELDDLIITGQVTSTSTQRFLVQTNDETNIKSGVMKTGPDMLCENSEVDQLKFGKTMITSCRVLLGLNDFTNCDKLRSLIIERLNQFMPSEVIATYPQASKTSPEDWIFIRRNNPVLQSSTGNDNTSALIGFCPNITSTIYLKIISAIQGKLQGIPLRQIIYASIEYSQENWQFLCDYSMYPSFCRNSTTLNDVQYFYLNTIIIHSDISAKDDQLTINEQLDCNLDNCWTNAFYAWTGLIKLYQFTGKYEQTFEIGVTLGISSLIIMILIVTKPFF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.9	Very low	23.6	Very low	239 Å²	239	175.5 Å²	175.5	100%	1.177	86%	0.857	S	S	*	*				0	125.8	0	-67	179.8	178.8	0	0	106.7
2	I	29.4	Very low	23.7	Very low	166 Å²	166	172.3 Å²	172.3	85%	0.851	86%	0.855	S	S	*	*			cis	-118.7	165.3	5.3	-69.1	-179.8	0	0	0	110.2
3	N	23.8	Very low	23.4	Very low	137 Å²	137	168.3 Å²	168.3	73%	0.733	85%	0.854	S	S	*	*			trans	-65.3	168.2	-170.3	-57.2	2.5	0	0	0	115.5
4	E	21.7	Very low	23.4	Very low	185 Å²	185	162.9 Å²	162.9	86%	0.864	84%	0.84	S	S	*	*			trans	-23.5	140.2	143.8	-50.1	162.9	128.7	0	0	115.3
5	Q	28.3	Very low	23.3	Very low	190 Å²	190	160.3 Å²	160.3	89%	0.888	83%	0.834	S	S	*	*			trans	-153.2	150.6	131.9	-119.1	173.2	5.2	0	0	111.2
6	L	22.1	Very low	23.4	Very low	151 Å²	151	165.1 Å²	165.1	79%	0.791	84%	0.84	S	S	*	*			trans	-70.6	159.6	-178.9	-50.7	88.2	0	0	0	111.3
7	F	25.5	Very low	23.2	Very low	194 Å²	194	162.4 Å²	162.4	85%	0.851	83%	0.834	S	S	*	*				-168.5	169.6	115.7	-108.1	-69.6	0	0	0	113.2
8	D	22	Very low	23.3	Very low	135 Å²	135	162.4 Å²	162.4	72%	0.722	84%	0.836	S	S	*	*			trans	-64.8	149.9	-158.6	-70.2	-71.9	0	0	0	118.4	S10	D8-S10 PolarHBondContact O-N 2.74Å
9	Y	19.7	Very low	23.1	Very low	240 Å²	240	162.4 Å²	162.4	94%	0.941	83%	0.834	S	S	*	*			trans	-74.3	108.6	156.2	-93.5	-108.3	0	0	0	110.7
10	S	20.8	Very low	23.1	Very low	104 Å²	104	160.9 Å²	160.9	73%	0.727	84%	0.835	S	S	*	*			trans	-151.7	129.8	149.4	68	0	0	0	0	112.1	D8	D8-S10 PolarHBondContact O-N 2.74Å
11	Q	21.1	Very low	23	Very low	189 Å²	189	162.1 Å²	162.1	88%	0.883	83%	0.834	S	S	*	*			trans	46.4	116.3	164.5	-55.9	-176.2	7.7	0	0	119
12	V	24.7	Very low	22.9	Very low	138 Å²	138	154.6 Å²	154.6	84%	0.836	81%	0.81	S	S	*	*				-159.2	139.2	115.6	135	0	0	0	0	109.8
13	S	20.4	Very low	22.6	Very low	120 Å²	120	156.2 Å²	156.2	84%	0.839	81%	0.811	S	S	*	*			trans	-100.2	125.9	174.6	55.6	0	0	0	0	110.9
14	S	23.8	Very low	22.5	Very low	93 Å²	93	153.3 Å²	153.3	65%	0.65	81%	0.813	S	S	*	*			trans	-155.7	107	161.9	56.8	0	0	0	0	112.8
15	T	21.6	Very low	22.6	Very low	124 Å²	124	154.8 Å²	154.8	76%	0.761	82%	0.816	S	S	*	*			trans	3.8	118.9	144.6	51.7	0	0	0	0	117.8
16	Y	24.9	Very low	22.3	Very low	236 Å²	236	156.6 Å²	156.6	93%	0.925	82%	0.815	S	S	*	*			trans	-118.1	100.3	146	-104.7	-87.7	0	0	0	109.5
17	T	20.3	Very low	22.4	Very low	120 Å²	120	157.1 Å²	157.1	74%	0.736	82%	0.818	S	S	*	*			trans	-100.4	112.3	166.1	48.9	0	0	0	0	108.5
18	D	24.9	Very low	22.4	Very low	163 Å²	163	158.7 Å²	158.7	87%	0.872	82%	0.82	S	S	*	*			trans	-153.2	142	148.2	-121.8	-30.1	0	0	0	112.3
19	M	19.5	Very low	22.4	Very low	161 Å²	161	158.9 Å²	158.9	79%	0.793	82%	0.821	S	S	*	*			trans	-103.4	153.7	173.4	-79.4	-175.1	165.5	0	0	109.6
20	P	23.1	Very low	22.9	Very low	132 Å²	132	156 Å²	156	86%	0.857	82%	0.821	S	S	*	*			trans	-118.4	139.1	130.8	6.4	12.5	0	0	0	112
21	K	19.9	Very low	23.1	Very low	188 Å²	188	157.8 Å²	157.8	82%	0.817	82%	0.821	S	S	*	*			trans	-83.3	147.6	172.1	-57	156.9	-177.3	166.5	0	109.3
22	A	23.2	Very low	23.5	Very low	80 Å²	80	158.1 Å²	158.1	66%	0.661	82%	0.82	S	S	*	*				164.7	140	114.1	0	0	0	0	0	114
23	K	23.3	Very low	23.6	Very low	201 Å²	201	159.2 Å²	159.2	87%	0.874	82%	0.816	S	S	*	*			trans	56.4	119.6	154.2	-58.2	161.8	-173	174.7	0	116.1
24	G	21.3	Very low	24.7	Very low	75 Å²	75	158 Å²	158	77%	0.773	81%	0.805	S	S	*	*			cis	86.7	82.6	20.8	0	0	0	0	0	111.3
25	F	23.5	Very low	25	Very low	216 Å²	216	164.8 Å²	164.8	95%	0.947	82%	0.817	S	S	*	*			trans	-125	160.5	168	-119.7	-98.8	0	0	0	110.4
26	R	23.1	Very low	25.5	Very low	229 Å²	229	165.2 Å²	165.2	86%	0.864	81%	0.813	S	S	*	*			trans	-96	146.5	-159.8	-72	176.9	168	172	-5.6	114.2
27	L	23	Very low	25.9	Very low	161 Å²	161	159.8 Å²	159.8	84%	0.843	80%	0.799	S	S	*	*			trans	-49	141.5	155.8	-98.2	64.5	0	0	0	111.1
28	Y	26.2	Very low	26.5	Very low	227 Å²	227	162 Å²	162	89%	0.89	80%	0.804	S	S	*	*			trans	-107.3	141.8	155.7	-110.3	-94.4	0	0	0	109.3
29	N	22.5	Very low	26.9	Very low	140 Å²	140	162.6 Å²	162.6	75%	0.749	80%	0.799	S	S	*	*			trans	-76.8	131.8	-173.3	-61.7	-58.8	0	0	0	111.9
30	L	28.9	Very low	27.5	Very low	178 Å²	178	162.5 Å²	162.5	93%	0.932	79%	0.794	S	S	*	*			trans	-118.4	132	147.7	-84.6	164.1	0	0	0	107.7
31	L	25.1	Very low	28	Very low	142 Å²	142	163.6 Å²	163.6	74%	0.743	79%	0.787	S	S	*	*			trans	-99.7	-176.4	-175.8	-76.1	158.9	0	0	0	110.5
32	F	29.3	Very low	28.4	Very low	197 Å²	197	163.6 Å²	163.6	86%	0.864	79%	0.787	S	S	*	*			trans	72.5	130.6	-170.6	-47.7	-80.5	0	0	0	113.1
33	H	27.6	Very low	28.7	Very low	160 Å²	160	168.7 Å²	168.7	74%	0.741	80%	0.795	S	S	*	*			cis	-150.1	145.2	-2.3	-140.5	-1.2	0	0	0	109	W35	H33-W35 PolarHBondContact O-N 2.83Å
34	P	44	Very low	29	Very low	94 Å²	94	165.3 Å²	165.3	61%	0.61	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	39.4	-150.2	39.3	-39.2	0	0	0	117
35	W	29	Very low	29.2	Very low	236 Å²	236	168.8 Å²	168.8	89%	0.894	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-13.5	177.5	-82.4	83.2	0	0	0	115.3	H33	H33-W35 PolarHBondContact O-N 2.83Å
36	I	33.7	Very low	29.3	Very low	133 Å²	133	164.3 Å²	164.3	68%	0.682	78%	0.776	S	S	*	*	S	Bend	trans	-86.4	-21.8	-180	-66.7	173.3	0	0	0	112.4	M38 F39	I36-M38 VanDerWaalsContact C-N 3.31Å; I36-M38 PolarHBondContact O-N 3.33Å; I36-F39 PolarHBondContact O-N 3.12Å
37	L	32.8	Very low	29.6	Very low	122 Å²	122	159.7 Å²	159.7	64%	0.639	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-13.6	-169.9	-99.1	162.9	0	0	0	115.6
38	M	32.4	Very low	29.9	Very low	168 Å²	168	157.8 Å²	157.8	83%	0.828	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-19.2	178.8	-145.2	179.6	85.1	0	0	113.6	I36	I36-M38 VanDerWaalsContact C-N 3.31Å; I36-M38 PolarHBondContact O-N 3.33Å
39	F	33.1	Very low	30	Very low	175 Å²	175	154.2 Å²	154.2	77%	0.768	76%	0.762	S	S	*	*	S	Bend	trans	-84.9	-16.6	177.5	-86.4	-83.7	0	0	0	114	I36	I36-F39 PolarHBondContact O-N 3.12Å
40	F	33.2	Very low	30.4	Very low	159 Å²	159	150.7 Å²	150.7	70%	0.697	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	22.4	-175.3	-85.9	-80.2	0	0	0	114.9
41	H	32.4	Very low	30.9	Very low	155 Å²	155	144.4 Å²	144.4	72%	0.718	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.5	5.2	173.8	-98.4	33.7	0	0	0	115.3
42	F	29.4	Very low	32.1	Very low	187 Å²	187	144.8 Å²	144.8	82%	0.82	74%	0.74	S	S	*	*	S	Bend	trans	-110.7	-2.6	170.5	-95.7	-79.6	0	0	0	115.5	I44	F42-I44 PolarHBondContact O-N 2.82Å
43	F	29.5	Very low	33.8	Very low	188 Å²	188	139.3 Å²	139.3	83%	0.825	72%	0.722	S	S	*	*			trans	-86.7	71.9	151.7	-84.8	-84.4	0	0	0	109.8
44	I	28.6	Very low	36	Very low	130 Å²	130	136 Å²	136	67%	0.667	71%	0.709	S	S	*	*			trans	-55.2	149.2	151.4	-68.9	174.4	0	0	0	107.4	F42 T46	F42-I44 PolarHBondContact O-N 2.82Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3.02Å
45	L	25	Very low	37.7	Very low	148 Å²	148	134.5 Å²	134.5	78%	0.775	70%	0.701	S	S	*	*			trans	-62.8	85.9	176.9	-75.6	71.8	0	0	0	111.1	I47	L45-I47 HydrophobicContact CB-CG1 4.32Å; L45-I47 PolarHBondContact O-N 3.03Å
46	T	27.6	Very low	40.3	Very low	122 Å²	122	124.8 Å²	124.8	75%	0.748	66%	0.664	S	S	*	*			trans	-66	91.6	141.7	-51.8	0	0	0	0	105.3	I44 C48	I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3.02Å; T46-C48 PolarHBondContact O-N 3.47Å
47	I	28.1	Very low	42.4	Very low	131 Å²	131	121 Å²	121	67%	0.672	65%	0.65	S	S	*	*			trans	-54	116.8	166.3	-63.5	171.8	0	0	0	105.4	L45 D49	L45-I47 HydrophobicContact CB-CG1 4.32Å; L45-I47 PolarHBondContact O-N 3.03Å; I47-D49 PolarHBondContact O-N 3.13Å
48	C	29.6	Very low	44.4	Very low	122 Å²	122	115.4 Å²	115.4	82%	0.824	62%	0.621	S	S	*	*			trans	-67	87.1	166.6	-73.7	0	0	0	0	107	T46 G50	T46-C48 PolarHBondContact O-N 3.47Å; C48-G50 PolarHBondContact O-N 2.95Å; C48-G50 VanDerWaalsContact O-N 3.11Å
49	D	29.1	Very low	46.3	Very low	152 Å²	152	108.6 Å²	108.6	81%	0.813	59%	0.587	S	S	*	*			trans	-57.2	116.7	171.1	-154.7	-0.3	0	0	0	106.7	I47 G51	I47-D49 PolarHBondContact O-N 3.13Å; D49-G51 PolarHBondContact O-N 3.46Å
50	G	29.5	Very low	48	Very low	66 Å²	66	104.1 Å²	104.1	68%	0.68	57%	0.57	S	S	*	*			trans	-74.2	38	-163.7	0	0	0	0	0	114	C48 N52	C48-G50 PolarHBondContact O-N 2.95Å; C48-G50 VanDerWaalsContact O-N 3.11Å; G50-N52 PolarHBondContact O-N 3.05Å
51	G	40.1	Very low	49.3	Very low	45 Å²	45	98.3 Å²	98.3	46%	0.464	55%	0.546	S	S	.	.			trans	-67.7	91.9	-179.6	0	0	0	0	0	111	D49 V53	D49-G51 PolarHBondContact O-N 3.46Å; G51-V53 PolarHBondContact O-N 2.83Å
52	N	50.8	Low	50.7	Low	150 Å²	150	94.7 Å²	94.7	80%	0.802	53%	0.529	S	S	*	.			trans	-48.9	106.6	171	-73.6	-34.5	0	0	0	110.4	G50 I54	G50-N52 PolarHBondContact O-N 3.05Å; N52-I54 PolarHBondContact O-N 3.49Å
53	V	63.4	Low	52.3	Low	82 Å²	82	92.9 Å²	92.9	50%	0.497	52%	0.524	S	S	.	.			trans	-72.2	110.5	175	176	0	0	0	0	107.7	G51 S55	G51-V53 PolarHBondContact O-N 2.83Å; V53-S55 PolarHBondContact O-N 3.12Å
54	I	75.1	Confident	54.5	Low	90 Å²	90	87.7 Å²	87.7	46%	0.462	51%	0.505	S	S	.	.			trans	-73	130.7	-178	-54	176.4	0	0	0	108.8	N52 Y56 S141 W142	N52-I54 PolarHBondContact O-N 3.49Å; I54-Y56 HydrophobicContact CB-CE2 3.88Å; I54-Y56 HydrophobicContact CG2-CD2 3.98Å; I54-Y56 HydrophobicContact CG2-CE1 4.16Å; I54-Y56 HydrophobicContact CG2-CE2 3.48Å; I54-Y56 VanDerWaalsContact CG2-CE2 3.48Å; I54-S141 CarbonylContact O-C 3.55Å; I54-S141 VanDerWaalsContact O-CA 3.27Å; I54-S141 WeakPolarHBondContact O-CA 3.41Å; I54-S141 VanDerWaalsContact O-CB 3.28Å; I54-S141 WeakPolarHBondContact O-CB 3.45Å; I54-W142 PolarHBondContact O-N 2.62Å
55	S	80.5	Confident	57.1	Low	63 Å²	63	82.1 Å²	82.1	44%	0.441	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.1	169.2	-172	0	0	0	0	109.8	V53 W142	V53-S55 PolarHBondContact O-N 3.12Å; S55-W142 WeakPolarHBondContact CA-O 3.41Å
56	Y	82.4	Confident	59.8	Low	32 Å²	32	79 Å²	79	13%	0.125	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	107.7	179.5	-63.3	-95.2	0	0	0	108.9	I54 I65 I67 F125 W142 I143 Q144	I54-Y56 HydrophobicContact CB-CE2 3.88Å; I54-Y56 HydrophobicContact CG2-CD2 3.98Å; I54-Y56 HydrophobicContact CG2-CE1 4.16Å; I54-Y56 HydrophobicContact CG2-CE2 3.48Å; I54-Y56 VanDerWaalsContact CG2-CE2 3.48Å; Y56-I65 HydrophobicContact CD1-CG2 3.91Å; Y56-I65 HydrophobicContact CG-CG2 4.16Å; Y56-I67 HydrophobicContact CD1-CG1 4.32Å; Y56-I67 HydrophobicContact CE1-CB 4.47Å; Y56-I67 HydrophobicContact CE1-CG1 4.35Å; Y56-I67 HydrophobicContact CE1-CG2 4.46Å; Y56-I67 HydrophobicContact CE2-CG2 4.33Å; Y56-F125 AromaticContact CD2-CE1 3.84Å; Y56-F125 HydrophobicContact CD2-CE1 3.84Å; Y56-F125 AromaticContact CD2-CZ 3.72Å; Y56-F125 HydrophobicContact CD2-CZ 3.72Å; Y56-F125 HydrophobicContact CE2-CE1 4.36Å; Y56-F125 AromaticContact CE2-CZ 3.85Å; Y56-F125 HydrophobicContact CE2-CZ 3.85Å; Y56-W142 PolarHBondContact N-O 2.77Å; Y56-I143 CarbonylContact O-C 3.55Å; Y56-I143 VanDerWaalsContact O-CA 3.26Å; Y56-I143 WeakPolarHBondContact O-CA 3.36Å; Y56-Q144 PolarHBondContact O-N 2.84Å
57	S	79	Confident	62.7	Low	54 Å²	54	73.2 Å²	73.2	38%	0.378	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.4	175.7	70.4	0	0	0	0	112	Q144	S57-Q144 CarbonylContact C-O 3.41Å; S57-Q144 VanDerWaalsContact CA-O 3.31Å; S57-Q144 WeakPolarHBondContact CA-O 3.42Å
58	T	74.2	Confident	65.4	Low	5 Å²	5	70.8 Å²	70.8	3%	0.031	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.5	167.2	-160.6	0	0	0	0	113.2	Q62 I65 Q144 C145 R146	T58-Q62 VanDerWaalsContact OG1-CB 3.32Å; T58-Q62 WeakPolarHBondContact OG1-CB 3.13Å; T58-Q62 VanDerWaalsContact OG1-CD 3.26Å; T58-Q62 PolarHBondContact OG1-OE1 2.83Å; T58-I65 HydrophobicContact CG2-CD1 3.74Å; T58-I65 HydrophobicContact CG2-CG1 3.46Å; T58-I65 VanDerWaalsContact CG2-CG1 3.46Å; T58-Q144 PolarHBondContact N-O 3.22Å; T58-C145 CarbonylContact O-C 3.37Å; T58-C145 WeakPolarHBondContact O-CA 3.33Å; T58-R146 PolarHBondContact O-N 2.63Å
59	N	70.9	Confident	68	Low	24 Å²	24	65.3 Å²	65.3	13%	0.128	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.7	165.8	-62.2	-21.9	0	0	0	108.1	N61 Q62 R146 P149	N59-N61 PolarHBondContact O-N 2.93Å; N59-Q62 PolarHBondContact O-N 3.45Å; N59-R146 WeakPolarHBondContact OD1-CB 3.43Å; N59-P149 WeakPolarHBondContact ND2-CD 3.24Å
60	M	69	Low	70.3	Confident	81 Å²	81	60.8 Å²	60.8	40%	0.399	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-15.8	-176.5	-73.9	-152.5	-57.2	0	0	116.1	C116 V119 R146	M60-C116 HydrophobicContact CG-CB 4.08Å; M60-V119 HydrophobicContact CE-CG2 3.95Å; M60-V119 HydrophobicContact CG-CG2 3.58Å; M60-V119 HydrophobicContact SD-CG2 3.69Å; M60-R146 PolarHBondContact N-O 2.89Å
61	N	61.1	Low	72.3	Confident	38 Å²	38	58.3 Å²	58.3	20%	0.203	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-39.1	172.4	-68.1	-1.7	0	0	0	113.6	N59 Q63 P148 T243 T246	N59-N61 PolarHBondContact O-N 2.93Å; N61-Q63 PolarHBondContact O-N 2.96Å; N61-P148 WeakPolarHBondContact OD1-CB 3.23Å; N61-T243 PolarHBondContact ND2-OG1 3.03Å; N61-T246 PolarHBondContact ND2-OG1 3.21Å; N61-T246 WeakPolarHBondContact OD1-CB 3.31Å; N61-T246 WeakPolarHBondContact OD1-CG2 3.32Å; N61-T246 PolarHBondContact OD1-OG1 2.97Å; N61-T246 VanDerWaalsContact OD1-OG1 3.07Å
62	Q	61.5	Low	73.4	Confident	78 Å²	78	63.7 Å²	63.7	36%	0.364	36%	0.356	S	S	.	.	S	Bend	trans	-82	98.7	175.8	-49.3	-179.3	-13.5	0	0	106.8	T58 N59 N64 N240	T58-Q62 VanDerWaalsContact OG1-CB 3.32Å; T58-Q62 WeakPolarHBondContact OG1-CB 3.13Å; T58-Q62 VanDerWaalsContact OG1-CD 3.26Å; T58-Q62 PolarHBondContact OG1-OE1 2.83Å; N59-Q62 PolarHBondContact O-N 3.45Å; Q62-N64 PolarHBondContact O-N 2.86Å; Q62-N240 PolarHBondContact NE2-ND2 2.87Å; Q62-N240 PolarHBondContact NE2-OD1 2.88Å
63	Q	63.5	Low	74	Confident	150 Å²	150	60.8 Å²	60.8	70%	0.701	34%	0.34	S	S	*	.			trans	-57.6	-25.2	-164.1	-65.9	178.6	-13.4	0	0	114.7	N61 Q115	N61-Q63 PolarHBondContact O-N 2.96Å; Q63-Q115 WeakPolarHBondContact O-CA 3.4Å
64	N	76.3	Confident	73.7	Confident	79 Å²	79	62.6 Å²	62.6	42%	0.422	36%	0.356	S	S	.	.			trans	-138.1	129.1	179.3	-65.7	-57.3	0	0	0	111.8	Q62 A113 F114	Q62-N64 PolarHBondContact O-N 2.86Å; N64-A113 HydrophobicContact CB-CB 4.04Å; N64-F114 CarbonylContact C-O 3.59Å; N64-F114 WeakPolarHBondContact CA-O 3.26Å
65	I	82.4	Confident	73.1	Confident	13 Å²	13	60.7 Å²	60.7	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.5	160	-68.9	179.3	0	0	0	108.5	Y56 T58 I67 A113 F114 I143	Y56-I65 HydrophobicContact CD1-CG2 3.91Å; Y56-I65 HydrophobicContact CG-CG2 4.16Å; T58-I65 HydrophobicContact CG2-CD1 3.74Å; T58-I65 HydrophobicContact CG2-CG1 3.46Å; T58-I65 VanDerWaalsContact CG2-CG1 3.46Å; I65-I67 HydrophobicContact CG2-CG1 3.96Å; I65-A113 CarbonylContact O-C 3.5Å; I65-A113 VanDerWaalsContact O-CA 3.28Å; I65-A113 WeakPolarHBondContact O-CA 3.39Å; I65-F114 HydrophobicContact CB-CB 4.29Å; I65-F114 HydrophobicContact CD1-CD1 4.23Å; I65-F114 PolarHBondContact N-O 2.94Å; I65-F114 PolarHBondContact O-N 2.68Å; I65-I143 HydrophobicContact CB-CD1 4.47Å; I65-I143 HydrophobicContact CD1-CD1 3.87Å; I65-I143 HydrophobicContact CD1-CG1 3.61Å; I65-I143 HydrophobicContact CG2-CD1 4.23Å
66	S	82.6	Confident	72	Confident	82 Å²	82	64.5 Å²	64.5	57%	0.573	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.1	174.3	-73.4	0	0	0	0	111.3	P68	S66-P68 WeakPolarHBondContact O-CD 3.42Å
67	I	88.1	Confident	71.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.2	-179	-56.6	161.8	0	0	0	108.6	Y56 I65 I69 F98 T111 I112 F114 F125 I143	Y56-I67 HydrophobicContact CD1-CG1 4.32Å; Y56-I67 HydrophobicContact CE1-CB 4.47Å; Y56-I67 HydrophobicContact CE1-CG1 4.35Å; Y56-I67 HydrophobicContact CE1-CG2 4.46Å; Y56-I67 HydrophobicContact CE2-CG2 4.33Å; I65-I67 HydrophobicContact CG2-CG1 3.96Å; I67-I69 HydrophobicContact CG2-CG2 4.45Å; I67-F98 HydrophobicContact CD1-CD1 3.85Å; I67-F98 HydrophobicContact CD1-CE1 3.64Å; I67-T111 CarbonylContact O-C 3.36Å; I67-T111 VanDerWaalsContact O-CA 3.32Å; I67-T111 WeakPolarHBondContact O-CA 3.5Å; I67-I112 HydrophobicContact CB-CB 4.45Å; I67-I112 WeakPolarHBondContact CB-O 3.44Å; I67-I112 HydrophobicContact CD1-CG2 4.4Å; I67-I112 PolarHBondContact N-O 2.93Å; I67-I112 PolarHBondContact O-N 2.78Å; I67-F114 HydrophobicContact CD1-CB 3.96Å; I67-F125 HydrophobicContact CD1-CE2 3.78Å; I67-F125 HydrophobicContact CD1-CZ 3.73Å; I67-F125 HydrophobicContact CG1-CE2 4.47Å; I67-F125 HydrophobicContact CG1-CZ 4.13Å; I67-F125 HydrophobicContact CG2-CE2 4.02Å; I67-F125 HydrophobicContact CG2-CZ 4.06Å; I67-I143 HydrophobicContact CD1-CD1 4.01Å
68	P	84.8	Confident	71.2	Confident	80 Å²	80	71.7 Å²	71.7	52%	0.519	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.7	174.9	29	-35.1	0	0	0	111.3	S66	S66-P68 WeakPolarHBondContact O-CD 3.42Å
69	I	84.9	Confident	71.5	Confident	7 Å²	7	72 Å²	72	4%	0.036	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151	175.2	62	173	0	0	0	110.7	I67 A81 I101 L103 N109 G110 I112 C127 F137	I67-I69 HydrophobicContact CG2-CG2 4.45Å; I69-A81 HydrophobicContact CD1-CB 3.35Å; I69-I101 HydrophobicContact CD1-CG2 3.7Å; I69-L103 HydrophobicContact CD1-CD1 3.87Å; I69-L103 HydrophobicContact CD1-CD2 4.31Å; I69-L103 HydrophobicContact CD1-CG 4.33Å; I69-L103 HydrophobicContact CG1-CD1 4.35Å; I69-L103 HydrophobicContact CG1-CD2 4.47Å; I69-N109 WeakPolarHBondContact O-CA 3.27Å; I69-G110 PolarHBondContact N-O 3.16Å; I69-G110 PolarHBondContact O-N 3.3Å; I69-I112 HydrophobicContact CD1-CD1 3.78Å; I69-I112 HydrophobicContact CD1-CG1 4.05Å; I69-C127 HydrophobicContact CG2-CB 3.98Å; I69-F137 HydrophobicContact CB-CB 4.2Å; I69-F137 HydrophobicContact CD1-CB 4.45Å
70	S	76.1	Confident	72.3	Confident	58 Å²	58	72.9 Å²	72.9	41%	0.406	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.7	177	53.4	0	0	0	0	111.7	P108 N109	S70-P108 WeakPolarHBondContact CA-O 3.34Å; S70-N109 WeakPolarHBondContact CB-OD1 3.28Å
71	T	72.6	Confident	73.2	Confident	13 Å²	13	69 Å²	69	8%	0.08	39%	0.388	C	S	.	.			trans	-100.6	130.4	169.8	165.5	0	0	0	0	111	I73 F77 L103 P108	T71-I73 VanDerWaalsContact C-N 3.32Å; T71-I73 WeakPolarHBondContact OG1-CB 3.44Å; T71-I73 PolarHBondContact OG1-N 2.87Å; T71-F77 HydrophobicContact CG2-CD1 4.12Å; T71-F77 HydrophobicContact CG2-CE1 4.2Å; T71-L103 HydrophobicContact CG2-CB 4.45Å; T71-L103 HydrophobicContact CG2-CD1 4.31Å; T71-P108 HydrophobicContact CG2-CB 3.98Å; T71-P108 VanDerWaalsContact CG2-O 3.26Å; T71-P108 WeakPolarHBondContact CG2-O 3.28Å; T71-P108 PolarHBondContact N-O 2.63Å
72	N	63.3	Low	74.6	Confident	159 Å²	159	68.1 Å²	68.1	85%	0.85	38%	0.384	S	S	*	.			trans	-89.8	5.9	171	-72.1	-8	0	0	0	112.7
73	I	62.2	Low	76	Confident	89 Å²	89	64.7 Å²	64.7	46%	0.456	37%	0.369	S	S	.	.			trans	-87.7	120.8	-177.3	-53.7	175	0	0	0	109.3	T71 F77 V135	T71-I73 VanDerWaalsContact C-N 3.32Å; T71-I73 WeakPolarHBondContact OG1-CB 3.44Å; T71-I73 PolarHBondContact OG1-N 2.87Å; I73-F77 HydrophobicContact CD1-CE2 3.98Å; I73-F77 HydrophobicContact CD1-CZ 4.12Å; I73-F77 HydrophobicContact CG2-CD2 4.34Å; I73-V135 HydrophobicContact CD1-CG1 4.33Å
74	S	57.1	Low	77.3	Confident	120 Å²	120	59.5 Å²	59.5	84%	0.839	35%	0.349	S	S	*	.			trans	-103.1	112.7	178.9	48.2	0	0	0	0	112.2
75	G	62	Low	77.9	Confident	49 Å²	49	57.4 Å²	57.4	51%	0.505	34%	0.336	S	S	.	.	S	Bend	trans	129.3	112.9	167.2	0	0	0	0	0	114.9	F77	G75-F77 PolarHBondContact O-N 2.98Å; G75-F77 VanDerWaalsContact O-N 3.12Å
76	V	57.4	Low	78.1	Confident	144 Å²	144	61 Å²	61	87%	0.873	36%	0.355	S	S	*	.	S	Bend	trans	38.4	49.2	176.2	-159.6	0	0	0	0	113.2	D105	V76-D105 WeakPolarHBondContact CA-OD2 3.25Å; V76-D105 PolarHBondContact N-OD1 2.86Å; V76-D105 PolarHBondContact N-OD2 2.85Å
77	F	67.7	Low	78.2	Confident	33 Å²	33	64.1 Å²	64.1	15%	0.145	36%	0.358	C	S	.	.			trans	-89.9	136.9	178	-164.8	-115	0	0	0	110.3	T71 I73 G75 S79 S104 D105 V135 F137	T71-F77 HydrophobicContact CG2-CD1 4.12Å; T71-F77 HydrophobicContact CG2-CE1 4.2Å; I73-F77 HydrophobicContact CD1-CE2 3.98Å; I73-F77 HydrophobicContact CD1-CZ 4.12Å; I73-F77 HydrophobicContact CG2-CD2 4.34Å; G75-F77 PolarHBondContact O-N 2.98Å; G75-F77 VanDerWaalsContact O-N 3.12Å; F77-S79 VanDerWaalsContact CE1-CB 3.46Å; F77-S79 WeakPolarHBondContact CZ-OG 3.47Å; F77-S104 VanDerWaalsContact O-CA 3.23Å; F77-S104 WeakPolarHBondContact O-CA 3.1Å; F77-S104 WeakPolarHBondContact O-CB 3.36Å; F77-D105 WeakPolarHBondContact CB-OD1 3.25Å; F77-D105 PolarHBondContact N-OD1 2.04Å; F77-V135 HydrophobicContact CZ-CG1 4.14Å; F77-F137 AromaticContact CE1-CE1 3.59Å; F77-F137 HydrophobicContact CE1-CE1 3.59Å; F77-F137 AromaticContact CE1-CZ 3.8Å; F77-F137 HydrophobicContact CE1-CZ 3.8Å; F77-F137 AromaticContact CZ-CE1 3.66Å; F77-F137 HydrophobicContact CZ-CE1 3.66Å; F77-F137 AromaticContact CZ-CZ 3.71Å; F77-F137 HydrophobicContact CZ-CZ 3.71Å
78	R	77.1	Confident	78	Confident	203 Å²	203	69.6 Å²	69.6	77%	0.766	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	106.7	173.5	-121.4	-170	-174.3	-161.1	3.7	108.5
79	S	81.2	Confident	78	Confident	12 Å²	12	67.1 Å²	67.1	8%	0.084	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.5	-169.6	-101.8	0	0	0	0	111.4	F77 A81 L102 L103 D129	F77-S79 VanDerWaalsContact CE1-CB 3.46Å; F77-S79 WeakPolarHBondContact CZ-OG 3.47Å; S79-A81 PolarHBondContact O-N 2.98Å; S79-L102 WeakPolarHBondContact O-CA 3.15Å; S79-L103 PolarHBondContact N-O 3.3Å; S79-L103 PolarHBondContact O-N 3.42Å; S79-D129 VanDerWaalsContact CA-OD2 3.29Å; S79-D129 WeakPolarHBondContact CA-OD2 3.18Å; S79-D129 WeakPolarHBondContact CB-OD2 3.45Å; S79-D129 PolarHBondContact OG-OD2 2.89Å
80	T	87	Confident	77.9	Confident	43 Å²	43	71.4 Å²	71.4	26%	0.264	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	98.4	173.3	-60.2	0	0	0	0	107.3	E100 D129 K130	T80-E100 HydrophobicContact CG2-CB 3.91Å; T80-E100 HydrophobicContact CG2-CG 4.45Å; T80-D129 PolarHBondContact N-OD2 2.99Å; T80-D129 VanDerWaalsContact N-OD2 3.12Å; T80-K130 HydrophobicContact CG2-CB 4.27Å; T80-K130 HydrophobicContact CG2-CD 4.1Å; T80-K130 VanDerWaalsContact O-CB 3.24Å; T80-K130 WeakPolarHBondContact O-CB 3.15Å; T80-K130 PolarHBondContact O-N 3.46Å
81	A	88.2	Confident	78	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.2	173.9	0	0	0	0	0	110.2	I69 S79 E100 I101 L103 I112 F137	I69-A81 HydrophobicContact CD1-CB 3.35Å; S79-A81 PolarHBondContact O-N 2.98Å; A81-E100 WeakPolarHBondContact O-CA 3Å; A81-I101 HydrophobicContact CB-CG2 3.98Å; A81-I101 PolarHBondContact N-O 3.14Å; A81-I101 PolarHBondContact O-N 2.86Å; A81-L103 HydrophobicContact CB-CD1 3.91Å; A81-L103 HydrophobicContact CB-CG 4.09Å; A81-I112 HydrophobicContact CB-CD1 4.18Å; A81-F137 HydrophobicContact CB-CD2 3.39Å; A81-F137 HydrophobicContact CB-CE2 3.62Å; A81-F137 HydrophobicContact CB-CG 4.31Å
82	T	91.1	Very high	78.6	Confident	19 Å²	19	74.6 Å²	74.6	12%	0.117	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	174.7	168.6	-167.7	0	0	0	0	108.3	C127 H128 K130	T82-C127 CarbonylContact O-C 3.33Å; T82-C127 VanDerWaalsContact O-CA 3.25Å; T82-C127 WeakPolarHBondContact O-CA 3.29Å; T82-H128 PolarHBondContact N-O 2.82Å; T82-H128 PolarHBondContact O-N 3.42Å; T82-H128 VanDerWaalsContact O-O 3.04Å; T82-K130 HydrophobicContact CG2-CB 3.95Å
83	C	91.7	Very high	79.6	Confident	6 Å²	6	68.2 Å²	68.2	4%	0.041	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.5	169.1	-37.1	0	0	0	0	110.5	F98 I112 F125 F126 C127	C83-F98 HydrophobicContact CB-CB 4.33Å; C83-F98 HydrophobicContact CB-CD1 3.57Å; C83-F98 HydrophobicContact CB-CD2 4.28Å; C83-F98 HydrophobicContact CB-CE1 3.84Å; C83-F98 HydrophobicContact CB-CG 3.8Å; C83-F98 HydrophobicContact CB-CZ 4.33Å; C83-F98 WeakPolarHBondContact O-CD2 3.5Å; C83-F98 WeakPolarHBondContact O-CG 3.43Å; C83-I112 WeakPolarHBondContact SG-CD1 3.46Å; C83-F125 HydrophobicContact CB-CD2 3.89Å; C83-F125 HydrophobicContact CB-CE2 4.36Å; C83-F126 VanDerWaalsContact CA-O 3.25Å; C83-F126 WeakPolarHBondContact CA-O 3.33Å; C83-F126 WeakPolarHBondContact CB-O 3.34Å; C83-C127 HydrophobicContact CB-CB 3.95Å; C83-C127 WeakPolarHBondContact CB-SG 3.23Å; C83-C127 WeakPolarHBondContact SG-CB 3.02Å; C83-C127 CovalentContact SG-SG 2.04Å; C83-C127 PolarHBondContact SG-SG 2.71Å
84	S	89.4	Confident	80.8	Confident	40 Å²	40	64 Å²	64	28%	0.28	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.3	175.6	57.4	0	0	0	0	110.9	F125 F126 H128	S84-F125 VanDerWaalsContact O-CA 3.3Å; S84-F125 WeakPolarHBondContact O-CA 3.3Å; S84-F125 WeakPolarHBondContact O-CB 3.14Å; S84-F126 PolarHBondContact N-O 3.45Å; S84-F126 WeakPolarHBondContact O-CD1 3.36Å; S84-F126 PolarHBondContact O-N 3.04Å; S84-F126 WeakPolarHBondContact OG-CE1 3.48Å; S84-F126 WeakPolarHBondContact OG-CZ 3.26Å; S84-H128 PolarHBondContact OG-CD2 3.43Å; S84-H128 PolarHBondContact OG-NE2 3.23Å
85	F	90.2	Very high	82.2	Confident	36 Å²	36	60.6 Å²	60.6	16%	0.158	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.3	171.5	-57.9	-70.5	0	0	0	109.6	K87 P89 F98 F114 V123 F125 I143	F85-K87 WeakPolarHBondContact CB-O 3.17Å; F85-K87 PolarHBondContact O-N 3.35Å; F85-P89 HydrophobicContact CD1-CG 4.32Å; F85-P89 HydrophobicContact CD2-CG 3.65Å; F85-P89 HydrophobicContact CE1-CG 4.35Å; F85-P89 HydrophobicContact CE2-CG 3.69Å; F85-P89 HydrophobicContact CG-CG 3.97Å; F85-P89 HydrophobicContact CZ-CG 4.03Å; F85-F98 HydrophobicContact CD1-CE2 4.11Å; F85-F98 HydrophobicContact CD1-CZ 4.29Å; F85-F98 HydrophobicContact CD2-CE2 4.25Å; F85-F98 AromaticContact CE1-CE2 3.91Å; F85-F98 HydrophobicContact CE1-CE2 3.91Å; F85-F98 HydrophobicContact CE1-CZ 4Å; F85-F98 HydrophobicContact CE2-CE2 4.05Å; F85-F98 HydrophobicContact CG-CE2 4.3Å; F85-F98 AromaticContact CZ-CE2 3.89Å; F85-F98 HydrophobicContact CZ-CE2 3.89Å; F85-F98 HydrophobicContact CZ-CZ 4.33Å; F85-F114 HydrophobicContact CE1-CE2 4.14Å; F85-F114 HydrophobicContact CE1-CZ 4.22Å; F85-F114 HydrophobicContact CE2-CE2 4.42Å; F85-F114 AromaticContact CZ-CE2 3.57Å; F85-F114 HydrophobicContact CZ-CE2 3.57Å; F85-F114 AromaticContact CZ-CZ 3.77Å; F85-F114 HydrophobicContact CZ-CZ 3.77Å; F85-V123 HydrophobicContact CB-CG1 4.13Å; F85-V123 HydrophobicContact CD1-CB 4Å; F85-V123 HydrophobicContact CD1-CG1 3.5Å; F85-V123 VanDerWaalsContact CD1-CG1 3.5Å; F85-V123 HydrophobicContact CE1-CB 4.18Å; F85-V123 HydrophobicContact CE1-CG1 4.15Å; F85-V123 HydrophobicContact CG-CG1 4.09Å; F85-F125 HydrophobicContact CD1-CB 4.26Å; F85-I143 HydrophobicContact CD1-CG2 4.44Å; F85-I143 HydrophobicContact CE1-CG2 3.75Å
86	L	85.8	Confident	83.5	Confident	88 Å²	88	58.6 Å²	58.6	46%	0.461	32%	0.322	S	S	.	.	S	Bend	trans	-68.3	-15.7	178.5	-160.2	72.6	0	0	0	112.4	L124 F126 K140	L86-L124 HydrophobicContact CD2-CD2 3.76Å; L86-L124 HydrophobicContact CD2-CG 4.44Å; L86-L124 PolarHBondContact N-O 2.78Å; L86-F126 HydrophobicContact CB-CD1 4.42Å; L86-F126 HydrophobicContact CD1-CD1 3.68Å; L86-F126 HydrophobicContact CD1-CE1 3.66Å; L86-K140 HydrophobicContact CD2-CD 4.36Å
87	K	84.1	Confident	85	Confident	148 Å²	148	57.6 Å²	57.6	64%	0.643	31%	0.311	S	S	*	.	S	Bend	trans	-145.6	143.6	172.5	-176.9	-172.8	175.4	-166.8	0	108	F85 P89	F85-K87 WeakPolarHBondContact CB-O 3.17Å; F85-K87 PolarHBondContact O-N 3.35Å; K87-P89 WeakPolarHBondContact O-CD 3.38Å
88	T	83.6	Confident	86.1	Confident	115 Å²	115	57.5 Å²	57.5	71%	0.706	31%	0.311	S	S	*	.			trans	-59	124.3	173	49.6	0	0	0	0	110.9
89	P	84.6	Confident	86.8	Confident	27 Å²	27	50 Å²	50	18%	0.175	29%	0.289	C	S	.	.			trans	-58.1	140.7	175.6	-24.2	33.7	0	0	0	112.2	F85 K87 D93 T94 N95 V123	F85-P89 HydrophobicContact CD1-CG 4.32Å; F85-P89 HydrophobicContact CD2-CG 3.65Å; F85-P89 HydrophobicContact CE1-CG 4.35Å; F85-P89 HydrophobicContact CE2-CG 3.69Å; F85-P89 HydrophobicContact CG-CG 3.97Å; F85-P89 HydrophobicContact CZ-CG 4.03Å; K87-P89 WeakPolarHBondContact O-CD 3.38Å; P89-D93 HydrophobicContact CB-CB 3.93Å; P89-T94 WeakPolarHBondContact CB-O 3.44Å; P89-T94 WeakPolarHBondContact CG-O 3.43Å; P89-N95 HydrophobicContact CB-CB 4.25Å; P89-N95 HydrophobicContact CG-CB 4.43Å; P89-V123 HydrophobicContact CG-CG1 4.45Å
90	I	84.7	Confident	87.2	Confident	97 Å²	97	54.2 Å²	54.2	50%	0.497	31%	0.307	S	S	.	.			trans	-95.9	176.6	168.5	58.2	159.2	0	0	0	111.1	S92 D93	I90-S92 VanDerWaalsContact CD1-OG 3.32Å; I90-S92 WeakPolarHBondContact CD1-OG 3.4Å; I90-S92 WeakPolarHBondContact CG1-OG 3.22Å; I90-S92 PolarHBondContact O-N 3.21Å; I90-D93 VanDerWaalsContact CG1-CG 3.48Å; I90-D93 WeakPolarHBondContact CG1-OD1 3.5Å; I90-D93 WeakPolarHBondContact CG1-OD2 3.46Å; I90-D93 PolarHBondContact N-OD2 2.94Å; I90-D93 WeakPolarHBondContact O-CB 3.24Å; I90-D93 PolarHBondContact O-N 2.75Å
91	A	78.2	Confident	87.2	Confident	89 Å²	89	54.5 Å²	54.5	74%	0.736	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.4	-172.3	0	0	0	0	0	115.7	Q118	A91-Q118 PolarHBondContact O-NE2 2.87Å
92	S	83.4	Confident	87.1	Confident	49 Å²	49	58.9 Å²	58.9	34%	0.343	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.3	172.5	51.6	0	0	0	0	114.4	I90 G120 H121	I90-S92 VanDerWaalsContact CD1-OG 3.32Å; I90-S92 WeakPolarHBondContact CD1-OG 3.4Å; I90-S92 WeakPolarHBondContact CG1-OG 3.22Å; I90-S92 PolarHBondContact O-N 3.21Å; S92-G120 CarbonylContact O-C 3.55Å; S92-G120 WeakPolarHBondContact O-CA 3.39Å; S92-H121 PolarHBondContact O-N 3.19Å; S92-H121 PolarHBondContact O-ND1 3.43Å; S92-H121 VanDerWaalsContact O-ND1 3.14Å
93	D	86.2	Confident	86.7	Confident	26 Å²	26	58 Å²	58	14%	0.139	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-110.9	160.5	-161.1	-57.1	-5.6	0	0	0	111.6	P89 I90 N95 H121 V123	P89-D93 HydrophobicContact CB-CB 3.93Å; I90-D93 VanDerWaalsContact CG1-CG 3.48Å; I90-D93 WeakPolarHBondContact CG1-OD1 3.5Å; I90-D93 WeakPolarHBondContact CG1-OD2 3.46Å; I90-D93 PolarHBondContact N-OD2 2.94Å; I90-D93 WeakPolarHBondContact O-CB 3.24Å; I90-D93 PolarHBondContact O-N 2.75Å; D93-N95 PolarHBondContact O-N 3.11Å; D93-H121 IonicContact OD1-ND1 2.63Å; D93-V123 HydrophobicContact CB-CG2 3.82Å
94	T	87.2	Confident	86.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.33	C	S	.	.			trans	-61.5	128.4	169.9	-69.8	0	0	0	0	110.5	P89 F114 G120 H121 V123 I143 Q144 C145	P89-T94 WeakPolarHBondContact CB-O 3.44Å; P89-T94 WeakPolarHBondContact CG-O 3.43Å; T94-F114 HydrophobicContact CG2-CE1 4.21Å; T94-F114 HydrophobicContact CG2-CZ 4.2Å; T94-G120 PolarHBondContact OG1-O 3.03Å; T94-H121 WeakPolarHBondContact CB-O 3.42Å; T94-H121 PolarHBondContact N-O 3.08Å; T94-H121 PolarHBondContact OG1-O 2.86Å; T94-V123 WeakPolarHBondContact O-CG2 3.45Å; T94-I143 HydrophobicContact CG2-CG2 4.3Å; T94-Q144 WeakPolarHBondContact OG1-CA 3.36Å; T94-C145 HydrophobicContact CG2-CB 3.87Å; T94-C145 VanDerWaalsContact CG2-N 3.31Å; T94-C145 VanDerWaalsContact CG2-SG 3.59Å; T94-C145 PolarHBondContact OG1-N 2.83Å
95	N	86.4	Confident	85.3	Confident	49 Å²	49	60.8 Å²	60.8	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.2	174.3	-155.3	-4.6	0	0	0	110.6	P89 D93 S117 Q118	P89-N95 HydrophobicContact CB-CB 4.25Å; P89-N95 HydrophobicContact CG-CB 4.43Å; D93-N95 PolarHBondContact O-N 3.11Å; N95-S117 VanDerWaalsContact C-OG 3.24Å; N95-S117 PolarHBondContact O-N 2.82Å; N95-S117 PolarHBondContact O-OG 3.05Å; N95-Q118 HydrophobicContact CB-CB 3.68Å; N95-Q118 PolarHBondContact N-O 2.79Å; N95-Q118 VanDerWaalsContact N-O 3.16Å; N95-Q118 PolarHBondContact O-N 2.93Å
96	G	87.7	Confident	84.7	Confident	7 Å²	7	66.9 Å²	66.9	7%	0.072	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-174.9	-174.3	0	0	0	0	0	112.8	F114 Q115 S117	G96-F114 VanDerWaalsContact C-CE2 3.44Å; G96-F114 VanDerWaalsContact CA-CE2 3.5Å; G96-F114 VanDerWaalsContact CA-CZ 3.49Å; G96-Q115 CarbonylContact C-O 3.5Å; G96-Q115 WeakPolarHBondContact CA-O 3.43Å; G96-S117 WeakPolarHBondContact CA-OG 3.32Å; G96-S117 PolarHBondContact N-OG 2.8Å
97	L	89.3	Confident	84.4	Confident	123 Å²	123	69.8 Å²	69.8	64%	0.644	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.1	-178.6	-67	171.4	0	0	0	110.5	F114 Q115	L97-F114 WeakPolarHBondContact O-CA 3.38Å; L97-Q115 PolarHBondContact N-O 3.5Å; L97-Q115 PolarHBondContact O-N 3Å
98	F	91.8	Very high	84.1	Confident	31 Å²	31	65.2 Å²	65.2	14%	0.136	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.1	169.4	-62.2	-84.1	0	0	0	110.1	I67 C83 F85 I112 A113 F114 F125 I143	I67-F98 HydrophobicContact CD1-CD1 3.85Å; I67-F98 HydrophobicContact CD1-CE1 3.64Å; C83-F98 HydrophobicContact CB-CB 4.33Å; C83-F98 HydrophobicContact CB-CD1 3.57Å; C83-F98 HydrophobicContact CB-CD2 4.28Å; C83-F98 HydrophobicContact CB-CE1 3.84Å; C83-F98 HydrophobicContact CB-CG 3.8Å; C83-F98 HydrophobicContact CB-CZ 4.33Å; C83-F98 WeakPolarHBondContact O-CD2 3.5Å; C83-F98 WeakPolarHBondContact O-CG 3.43Å; F85-F98 HydrophobicContact CD1-CE2 4.11Å; F85-F98 HydrophobicContact CD1-CZ 4.29Å; F85-F98 HydrophobicContact CD2-CE2 4.25Å; F85-F98 AromaticContact CE1-CE2 3.91Å; F85-F98 HydrophobicContact CE1-CE2 3.91Å; F85-F98 HydrophobicContact CE1-CZ 4Å; F85-F98 HydrophobicContact CE2-CE2 4.05Å; F85-F98 HydrophobicContact CG-CE2 4.3Å; F85-F98 AromaticContact CZ-CE2 3.89Å; F85-F98 HydrophobicContact CZ-CE2 3.89Å; F85-F98 HydrophobicContact CZ-CZ 4.33Å; F98-I112 HydrophobicContact CB-CG2 4.14Å; F98-I112 HydrophobicContact CD1-CG2 4.14Å; F98-A113 CarbonylContact C-O 3.53Å; F98-F114 HydrophobicContact CD1-CB 3.81Å; F98-F114 AromaticContact CD1-CD2 3.51Å; F98-F114 HydrophobicContact CD1-CD2 3.51Å; F98-F114 HydrophobicContact CD1-CE2 4.46Å; F98-F114 HydrophobicContact CD1-CG 4.06Å; F98-F114 AromaticContact CD2-CD2 3.87Å; F98-F114 HydrophobicContact CD2-CD2 3.87Å; F98-F114 HydrophobicContact CD2-CE2 4.16Å; F98-F114 HydrophobicContact CE1-CB 3.95Å; F98-F114 AromaticContact CE1-CD2 3.41Å; F98-F114 HydrophobicContact CE1-CD2 3.41Å; F98-F114 VanDerWaalsContact CE1-CD2 3.41Å; F98-F114 HydrophobicContact CE1-CE2 4.11Å; F98-F114 AromaticContact CE1-CG 3.9Å; F98-F114 HydrophobicContact CE1-CG 3.9Å; F98-F114 AromaticContact CE2-CD2 3.77Å; F98-F114 HydrophobicContact CE2-CD2 3.77Å; F98-F114 AromaticContact CE2-CE2 3.77Å; F98-F114 HydrophobicContact CE2-CE2 3.77Å; F98-F114 AromaticContact CG-CD2 3.75Å; F98-F114 HydrophobicContact CG-CD2 3.75Å; F98-F114 HydrophobicContact CG-CE2 4.49Å; F98-F114 AromaticContact CZ-CD2 3.54Å; F98-F114 HydrophobicContact CZ-CD2 3.54Å; F98-F114 AromaticContact CZ-CE2 3.75Å; F98-F114 HydrophobicContact CZ-CE2 3.75Å; F98-F114 HydrophobicContact CZ-CG 4.35Å; F98-F125 HydrophobicContact CE1-CB 4.49Å; F98-F125 AromaticContact CE1-CD2 3.84Å; F98-F125 HydrophobicContact CE1-CD2 3.84Å; F98-F125 HydrophobicContact CE1-CE2 4.19Å; F98-F125 HydrophobicContact CE1-CG 4.07Å; F98-F125 HydrophobicContact CE2-CB 4.48Å; F98-F125 HydrophobicContact CZ-CB 3.78Å; F98-F125 HydrophobicContact CZ-CD1 4.43Å; F98-F125 AromaticContact CZ-CD2 3.99Å; F98-F125 HydrophobicContact CZ-CD2 3.99Å; F98-F125 AromaticContact CZ-CG 3.81Å; F98-F125 HydrophobicContact CZ-CG 3.81Å; F98-I143 HydrophobicContact CE1-CD1 4.12Å
99	S	90.6	Very high	84.1	Confident	44 Å²	44	65.1 Å²	65.1	31%	0.308	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-75.2	160.8	170.7	73.4	0	0	0	0	111.6	I112 A113	S99-I112 WeakPolarHBondContact O-CG2 3Å; S99-A113 WeakPolarHBondContact CB-O 3.37Å; S99-A113 PolarHBondContact N-O 3.22Å; S99-A113 PolarHBondContact OG-N 2.74Å; S99-A113 PolarHBondContact OG-O 3.26Å
100	E	89.2	Confident	84.1	Confident	101 Å²	101	64.5 Å²	64.5	47%	0.472	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-104	143.3	173.9	-60.1	179.3	-167.9	0	0	111.2	T80 A81 K130	T80-E100 HydrophobicContact CG2-CB 3.91Å; T80-E100 HydrophobicContact CG2-CG 4.45Å; A81-E100 WeakPolarHBondContact O-CA 3Å; E100-K130 VanDerWaalsContact CD-CD 3.48Å; E100-K130 HydrophobicContact CG-CD 4.49Å; E100-K130 WeakPolarHBondContact OE1-CD 3.45Å; E100-K130 WeakPolarHBondContact OE1-CE 3.24Å; E100-K130 IonicContact OE1-NZ 2.68Å; E100-K130 PolarHBondContact OE1-NZ 2.95Å; E100-K130 VanDerWaalsContact OE2-CD 3.22Å; E100-K130 WeakPolarHBondContact OE2-CD 3.35Å; E100-K130 IonicContact OE2-NZ 2.66Å; E100-K130 PolarHBondContact OE2-NZ 2.83Å
101	I	88	Confident	84.2	Confident	49 Å²	49	63.2 Å²	63.2	25%	0.251	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.5	176	-169.5	166.7	0	0	0	111.6	I69 A81 L103 I112	I69-I101 HydrophobicContact CD1-CG2 3.7Å; A81-I101 HydrophobicContact CB-CG2 3.98Å; A81-I101 PolarHBondContact N-O 3.14Å; A81-I101 PolarHBondContact O-N 2.86Å; I101-L103 HydrophobicContact CG2-CD2 4.49Å; I101-L103 PolarHBondContact O-N 3.09Å; I101-I112 HydrophobicContact CG2-CD1 4.25Å; I101-I112 HydrophobicContact CG2-CG1 3.7Å
102	L	85.6	Confident	84.7	Confident	92 Å²	92	59 Å²	59	48%	0.482	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.4	177.1	-173	74.6	0	0	0	110.3	S79	S79-L102 WeakPolarHBondContact O-CA 3.15Å
103	L	82.5	Confident	85	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	147.9	169.9	-59.5	-178	0	0	0	110.5	I69 T71 S79 A81 I101 F137	I69-L103 HydrophobicContact CD1-CD1 3.87Å; I69-L103 HydrophobicContact CD1-CD2 4.31Å; I69-L103 HydrophobicContact CD1-CG 4.33Å; I69-L103 HydrophobicContact CG1-CD1 4.35Å; I69-L103 HydrophobicContact CG1-CD2 4.47Å; T71-L103 HydrophobicContact CG2-CB 4.45Å; T71-L103 HydrophobicContact CG2-CD1 4.31Å; S79-L103 PolarHBondContact N-O 3.3Å; S79-L103 PolarHBondContact O-N 3.42Å; A81-L103 HydrophobicContact CB-CD1 3.91Å; A81-L103 HydrophobicContact CB-CG 4.09Å; I101-L103 HydrophobicContact CG2-CD2 4.49Å; I101-L103 PolarHBondContact O-N 3.09Å; L103-F137 HydrophobicContact CD1-CD1 3.93Å; L103-F137 HydrophobicContact CD1-CD2 4.22Å; L103-F137 HydrophobicContact CD1-CE1 4.13Å; L103-F137 HydrophobicContact CD1-CE2 4.37Å; L103-F137 HydrophobicContact CD1-CG 3.99Å; L103-F137 HydrophobicContact CD1-CZ 4.35Å
104	S	80.3	Confident	85.2	Confident	24 Å²	24	56.7 Å²	56.7	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	170	175.9	58	0	0	0	0	111.6	F77 L106 K107 P108	F77-S104 VanDerWaalsContact O-CA 3.23Å; F77-S104 WeakPolarHBondContact O-CA 3.1Å; F77-S104 WeakPolarHBondContact O-CB 3.36Å; S104-L106 PolarHBondContact O-N 3.01Å; S104-K107 PolarHBondContact N-O 3.41Å; S104-K107 VanDerWaalsContact N-O 3.13Å; S104-K107 CarbonylContact O-C 2.86Å; S104-K107 WeakPolarHBondContact O-CA 3.34Å; S104-K107 PolarHBondContact O-N 2.88Å; S104-P108 VanDerWaalsContact O-N 3.07Å
105	D	72.8	Confident	85.2	Confident	80 Å²	80	61.8 Å²	61.8	43%	0.428	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-33	175.8	-63.7	14.1	0	0	0	114	V76 F77	V76-D105 WeakPolarHBondContact CA-OD2 3.25Å; V76-D105 PolarHBondContact N-OD1 2.86Å; V76-D105 PolarHBondContact N-OD2 2.85Å; F77-D105 WeakPolarHBondContact CB-OD1 3.25Å; F77-D105 PolarHBondContact N-OD1 2.04Å
106	L	77	Confident	85.1	Confident	165 Å²	165	60.3 Å²	60.3	86%	0.864	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-14	178.6	-64.3	174.1	0	0	0	113.9	S104	S104-L106 PolarHBondContact O-N 3.01Å
107	K	79	Confident	85	Confident	148 Å²	148	63.8 Å²	63.8	64%	0.643	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-147.5	75.2	176.2	-70.2	-167.9	176.4	-173.3	0	109	S104 N109	S104-K107 PolarHBondContact N-O 3.41Å; S104-K107 VanDerWaalsContact N-O 3.13Å; S104-K107 CarbonylContact O-C 2.86Å; S104-K107 WeakPolarHBondContact O-CA 3.34Å; S104-K107 PolarHBondContact O-N 2.88Å; K107-N109 VanDerWaalsContact C-N 3.25Å; K107-N109 PolarHBondContact O-N 2.75Å
108	P	78.1	Confident	84.7	Confident	53 Å²	53	61 Å²	61	34%	0.344	33%	0.332	S	S	.	.			trans	-74.4	-19.4	-178.5	29.7	-35.6	0	0	0	112.5	S70 T71 S104	S70-P108 WeakPolarHBondContact CA-O 3.34Å; T71-P108 HydrophobicContact CG2-CB 3.98Å; T71-P108 VanDerWaalsContact CG2-O 3.26Å; T71-P108 WeakPolarHBondContact CG2-O 3.28Å; T71-P108 PolarHBondContact N-O 2.63Å; S104-P108 VanDerWaalsContact O-N 3.07Å
109	N	82.9	Confident	84.2	Confident	113 Å²	113	61.6 Å²	61.6	60%	0.604	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.5	178.5	-60.4	-3.3	0	0	0	110	I69 S70 K107	I69-N109 WeakPolarHBondContact O-CA 3.27Å; S70-N109 WeakPolarHBondContact CB-OD1 3.28Å; K107-N109 VanDerWaalsContact C-N 3.25Å; K107-N109 PolarHBondContact O-N 2.75Å
110	G	84.6	Confident	84	Confident	14 Å²	14	60.3 Å²	60.3	14%	0.144	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-178.5	178.9	0	0	0	0	0	112.2	I69	I69-G110 PolarHBondContact N-O 3.16Å; I69-G110 PolarHBondContact O-N 3.3Å
111	T	88	Confident	83.7	Confident	70 Å²	70	61.1 Å²	61.1	43%	0.429	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.3	178.2	-51.4	0	0	0	0	108.9	I67	I67-T111 CarbonylContact O-C 3.36Å; I67-T111 VanDerWaalsContact O-CA 3.32Å; I67-T111 WeakPolarHBondContact O-CA 3.5Å
112	I	89.1	Confident	83.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	169.3	-75.1	171.8	0	0	0	108.5	I67 I69 A81 C83 F98 S99 I101	I67-I112 HydrophobicContact CB-CB 4.45Å; I67-I112 WeakPolarHBondContact CB-O 3.44Å; I67-I112 HydrophobicContact CD1-CG2 4.4Å; I67-I112 PolarHBondContact N-O 2.93Å; I67-I112 PolarHBondContact O-N 2.78Å; I69-I112 HydrophobicContact CD1-CD1 3.78Å; I69-I112 HydrophobicContact CD1-CG1 4.05Å; A81-I112 HydrophobicContact CB-CD1 4.18Å; C83-I112 WeakPolarHBondContact SG-CD1 3.46Å; F98-I112 HydrophobicContact CB-CG2 4.14Å; F98-I112 HydrophobicContact CD1-CG2 4.14Å; S99-I112 WeakPolarHBondContact O-CG2 3Å; I101-I112 HydrophobicContact CG2-CD1 4.25Å; I101-I112 HydrophobicContact CG2-CG1 3.7Å
113	A	87.9	Confident	83.7	Confident	27 Å²	27	59.4 Å²	59.4	22%	0.223	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	134	168.2	0	0	0	0	0	109.6	N64 I65 F98 S99	N64-A113 HydrophobicContact CB-CB 4.04Å; I65-A113 CarbonylContact O-C 3.5Å; I65-A113 VanDerWaalsContact O-CA 3.28Å; I65-A113 WeakPolarHBondContact O-CA 3.39Å; F98-A113 CarbonylContact C-O 3.53Å; S99-A113 WeakPolarHBondContact CB-O 3.37Å; S99-A113 PolarHBondContact N-O 3.22Å; S99-A113 PolarHBondContact OG-N 2.74Å; S99-A113 PolarHBondContact OG-O 3.26Å
114	F	90.4	Very high	84	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116	166.8	172.2	-98.7	0	0	0	110.1	N64 I65 I67 F85 T94 G96 L97 F98 I143	N64-F114 CarbonylContact C-O 3.59Å; N64-F114 WeakPolarHBondContact CA-O 3.26Å; I65-F114 HydrophobicContact CB-CB 4.29Å; I65-F114 HydrophobicContact CD1-CD1 4.23Å; I65-F114 PolarHBondContact N-O 2.94Å; I65-F114 PolarHBondContact O-N 2.68Å; I67-F114 HydrophobicContact CD1-CB 3.96Å; F85-F114 HydrophobicContact CE1-CE2 4.14Å; F85-F114 HydrophobicContact CE1-CZ 4.22Å; F85-F114 HydrophobicContact CE2-CE2 4.42Å; F85-F114 AromaticContact CZ-CE2 3.57Å; F85-F114 HydrophobicContact CZ-CE2 3.57Å; F85-F114 AromaticContact CZ-CZ 3.77Å; F85-F114 HydrophobicContact CZ-CZ 3.77Å; T94-F114 HydrophobicContact CG2-CE1 4.21Å; T94-F114 HydrophobicContact CG2-CZ 4.2Å; G96-F114 VanDerWaalsContact C-CE2 3.44Å; G96-F114 VanDerWaalsContact CA-CE2 3.5Å; G96-F114 VanDerWaalsContact CA-CZ 3.49Å; L97-F114 WeakPolarHBondContact O-CA 3.38Å; F98-F114 HydrophobicContact CD1-CB 3.81Å; F98-F114 AromaticContact CD1-CD2 3.51Å; F98-F114 HydrophobicContact CD1-CD2 3.51Å; F98-F114 HydrophobicContact CD1-CE2 4.46Å; F98-F114 HydrophobicContact CD1-CG 4.06Å; F98-F114 AromaticContact CD2-CD2 3.87Å; F98-F114 HydrophobicContact CD2-CD2 3.87Å; F98-F114 HydrophobicContact CD2-CE2 4.16Å; F98-F114 HydrophobicContact CE1-CB 3.95Å; F98-F114 AromaticContact CE1-CD2 3.41Å; F98-F114 HydrophobicContact CE1-CD2 3.41Å; F98-F114 VanDerWaalsContact CE1-CD2 3.41Å; F98-F114 HydrophobicContact CE1-CE2 4.11Å; F98-F114 AromaticContact CE1-CG 3.9Å; F98-F114 HydrophobicContact CE1-CG 3.9Å; F98-F114 AromaticContact CE2-CD2 3.77Å; F98-F114 HydrophobicContact CE2-CD2 3.77Å; F98-F114 AromaticContact CE2-CE2 3.77Å; F98-F114 HydrophobicContact CE2-CE2 3.77Å; F98-F114 AromaticContact CG-CD2 3.75Å; F98-F114 HydrophobicContact CG-CD2 3.75Å; F98-F114 HydrophobicContact CG-CE2 4.49Å; F98-F114 AromaticContact CZ-CD2 3.54Å; F98-F114 HydrophobicContact CZ-CD2 3.54Å; F98-F114 AromaticContact CZ-CE2 3.75Å; F98-F114 HydrophobicContact CZ-CE2 3.75Å; F98-F114 HydrophobicContact CZ-CG 4.35Å; F114-I143 HydrophobicContact CB-CD1 3.79Å; F114-I143 HydrophobicContact CD1-CD1 3.27Å; F114-I143 HydrophobicContact CD1-CG1 3.86Å; F114-I143 HydrophobicContact CD2-CD1 4.21Å; F114-I143 HydrophobicContact CE1-CD1 3.76Å; F114-I143 HydrophobicContact CE1-CG1 3.9Å; F114-I143 HydrophobicContact CE1-CG2 4.45Å; F114-I143 HydrophobicContact CG-CD1 3.49Å; F114-I143 VanDerWaalsContact CG-CD1 3.49Å; F114-I143 HydrophobicContact CZ-CD1 4.4Å; F114-I143 HydrophobicContact CZ-CG2 4.39Å
115	Q	87.2	Confident	84.6	Confident	106 Å²	106	60.1 Å²	60.1	50%	0.495	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.6	-180	-174.4	177.7	5.4	0	0	110.1	Q63 G96 L97 S117	Q63-Q115 WeakPolarHBondContact O-CA 3.4Å; G96-Q115 CarbonylContact C-O 3.5Å; G96-Q115 WeakPolarHBondContact CA-O 3.43Å; L97-Q115 PolarHBondContact N-O 3.5Å; L97-Q115 PolarHBondContact O-N 3Å; Q115-S117 PolarHBondContact O-N 2.94Å
116	C	86.1	Confident	85.3	Confident	19 Å²	19	57.9 Å²	57.9	13%	0.128	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	131.5	174.8	-74.2	0	0	0	0	111.8	M60 C145	M60-C116 HydrophobicContact CG-CB 4.08Å; C116-C145 VanDerWaalsContact CA-SG 3.51Å; C116-C145 HydrophobicContact CB-CB 3.92Å; C116-C145 WeakPolarHBondContact CB-SG 3.48Å; C116-C145 WeakPolarHBondContact SG-CB 3.25Å; C116-C145 CovalentContact SG-SG 2.03Å; C116-C145 PolarHBondContact SG-SG 2.85Å
117	S	84.2	Confident	85.9	Confident	79 Å²	79	50 Å²	50	55%	0.552	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	-24.6	168.2	68.4	0	0	0	0	113.1	N95 G96 Q115	N95-S117 VanDerWaalsContact C-OG 3.24Å; N95-S117 PolarHBondContact O-N 2.82Å; N95-S117 PolarHBondContact O-OG 3.05Å; G96-S117 WeakPolarHBondContact CA-OG 3.32Å; G96-S117 PolarHBondContact N-OG 2.8Å; Q115-S117 PolarHBondContact O-N 2.94Å
118	Q	82.8	Confident	86.2	Confident	65 Å²	65	43.9 Å²	43.9	30%	0.304	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.3	-179.4	-170.8	167.1	-8.3	0	0	111.6	A91 N95 C145	A91-Q118 PolarHBondContact O-NE2 2.87Å; N95-Q118 HydrophobicContact CB-CB 3.68Å; N95-Q118 PolarHBondContact N-O 2.79Å; N95-Q118 VanDerWaalsContact N-O 3.16Å; N95-Q118 PolarHBondContact O-N 2.93Å; Q118-C145 WeakPolarHBondContact O-CB 3Å
119	V	82.9	Confident	86.6	Confident	43 Å²	43	41.8 Å²	41.8	26%	0.261	23%	0.232	S	C	.	.			trans	-86.3	137.2	174.7	169.9	0	0	0	0	110.4	M60 C145 R146 K147	M60-V119 HydrophobicContact CE-CG2 3.95Å; M60-V119 HydrophobicContact CG-CG2 3.58Å; M60-V119 HydrophobicContact SD-CG2 3.69Å; V119-C145 WeakPolarHBondContact CA-O 3.17Å; V119-C145 WeakPolarHBondContact CG1-O 3.47Å; V119-R146 WeakPolarHBondContact CG2-O 3.36Å; V119-K147 HydrophobicContact CG1-CG 3.72Å
120	G	84.5	Confident	86.6	Confident	17 Å²	17	41.7 Å²	41.7	18%	0.175	23%	0.226	C	C	.	.			trans	-178.4	-156.3	175.9	0	0	0	0	0	114.8	S92 T94 Q144 C145	S92-G120 CarbonylContact O-C 3.55Å; S92-G120 WeakPolarHBondContact O-CA 3.39Å; T94-G120 PolarHBondContact OG1-O 3.03Å; G120-Q144 PolarHBondContact O-NE2 2.76Å; G120-C145 PolarHBondContact N-O 3.22Å
121	H	83.9	Confident	86.4	Confident	118 Å²	118	47.4 Å²	47.4	55%	0.546	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-62	162.2	171.1	-55.1	117.4	0	0	0	111.9	S92 D93 T94	S92-H121 PolarHBondContact O-N 3.19Å; S92-H121 PolarHBondContact O-ND1 3.43Å; S92-H121 VanDerWaalsContact O-ND1 3.14Å; D93-H121 IonicContact OD1-ND1 2.63Å; T94-H121 WeakPolarHBondContact CB-O 3.42Å; T94-H121 PolarHBondContact N-O 3.08Å; T94-H121 PolarHBondContact OG1-O 2.86Å
122	E	85.4	Confident	86.1	Confident	94 Å²	94	47.8 Å²	47.8	44%	0.439	26%	0.257	S	S	.	.			trans	-71.1	144.5	174.6	63.2	-174	156.9	0	0	111.9	W142 I143 Q144	E122-W142 HydrophobicContact CB-CE3 4.12Å; E122-W142 HydrophobicContact CG-CD2 4.34Å; E122-W142 HydrophobicContact CG-CE3 3.72Å; E122-W142 HydrophobicContact CG-CZ3 4.14Å; E122-I143 WeakPolarHBondContact CA-O 3.46Å; E122-Q144 HydrophobicContact CB-CB 4.07Å; E122-Q144 HydrophobicContact CB-CG 4.36Å
123	V	88.8	Confident	85.5	Confident	12 Å²	12	51.5 Å²	51.5	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.4	-179.1	-174.2	0	0	0	0	110.1	F85 P89 D93 T94 W142 I143	F85-V123 HydrophobicContact CB-CG1 4.13Å; F85-V123 HydrophobicContact CD1-CB 4Å; F85-V123 HydrophobicContact CD1-CG1 3.5Å; F85-V123 VanDerWaalsContact CD1-CG1 3.5Å; F85-V123 HydrophobicContact CE1-CB 4.18Å; F85-V123 HydrophobicContact CE1-CG1 4.15Å; F85-V123 HydrophobicContact CG-CG1 4.09Å; P89-V123 HydrophobicContact CG-CG1 4.45Å; D93-V123 HydrophobicContact CB-CG2 3.82Å; T94-V123 WeakPolarHBondContact O-CG2 3.45Å; V123-W142 VanDerWaalsContact C-CE3 3.44Å; V123-I143 PolarHBondContact N-O 3.15Å; V123-I143 PolarHBondContact O-N 3.29Å
124	L	89	Confident	84.9	Confident	39 Å²	39	54.5 Å²	54.5	20%	0.204	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.2	178.1	-169.1	64.3	0	0	0	110.2	L86 K140 S141 W142	L86-L124 HydrophobicContact CD2-CD2 3.76Å; L86-L124 HydrophobicContact CD2-CG 4.44Å; L86-L124 PolarHBondContact N-O 2.78Å; L124-K140 HydrophobicContact CD1-CB 4.01Å; L124-K140 HydrophobicContact CD2-CD 4.4Å; L124-K140 HydrophobicContact CG-CB 4.39Å; L124-S141 WeakPolarHBondContact CD1-O 3.09Å; L124-W142 HydrophobicContact CB-CD2 4.22Å; L124-W142 HydrophobicContact CB-CE3 3.91Å; L124-W142 HydrophobicContact CB-CH2 3.98Å; L124-W142 HydrophobicContact CB-CZ2 4.28Å; L124-W142 HydrophobicContact CB-CZ3 3.79Å; L124-W142 HydrophobicContact CD1-CD2 3.93Å; L124-W142 HydrophobicContact CD1-CE3 4.48Å; L124-W142 HydrophobicContact CD1-CG 4.19Å; L124-W142 HydrophobicContact CD1-CZ2 4.21Å; L124-W142 VanDerWaalsContact N-CE3 3.32Å
125	F	91.1	Very high	84.3	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	169	176.9	78.3	-86.9	0	0	0	111.3	Y56 I67 C83 S84 F85 F98 K140 S141 W142 I143	Y56-F125 AromaticContact CD2-CE1 3.84Å; Y56-F125 HydrophobicContact CD2-CE1 3.84Å; Y56-F125 AromaticContact CD2-CZ 3.72Å; Y56-F125 HydrophobicContact CD2-CZ 3.72Å; Y56-F125 HydrophobicContact CE2-CE1 4.36Å; Y56-F125 AromaticContact CE2-CZ 3.85Å; Y56-F125 HydrophobicContact CE2-CZ 3.85Å; I67-F125 HydrophobicContact CD1-CE2 3.78Å; I67-F125 HydrophobicContact CD1-CZ 3.73Å; I67-F125 HydrophobicContact CG1-CE2 4.47Å; I67-F125 HydrophobicContact CG1-CZ 4.13Å; I67-F125 HydrophobicContact CG2-CE2 4.02Å; I67-F125 HydrophobicContact CG2-CZ 4.06Å; C83-F125 HydrophobicContact CB-CD2 3.89Å; C83-F125 HydrophobicContact CB-CE2 4.36Å; S84-F125 VanDerWaalsContact O-CA 3.3Å; S84-F125 WeakPolarHBondContact O-CA 3.3Å; S84-F125 WeakPolarHBondContact O-CB 3.14Å; F85-F125 HydrophobicContact CD1-CB 4.26Å; F98-F125 HydrophobicContact CE1-CB 4.49Å; F98-F125 AromaticContact CE1-CD2 3.84Å; F98-F125 HydrophobicContact CE1-CD2 3.84Å; F98-F125 HydrophobicContact CE1-CE2 4.19Å; F98-F125 HydrophobicContact CE1-CG 4.07Å; F98-F125 HydrophobicContact CE2-CB 4.48Å; F98-F125 HydrophobicContact CZ-CB 3.78Å; F98-F125 HydrophobicContact CZ-CD1 4.43Å; F98-F125 AromaticContact CZ-CD2 3.99Å; F98-F125 HydrophobicContact CZ-CD2 3.99Å; F98-F125 AromaticContact CZ-CG 3.81Å; F98-F125 HydrophobicContact CZ-CG 3.81Å; F125-K140 WeakPolarHBondContact O-CA 3.31Å; F125-S141 WeakPolarHBondContact CD1-O 3.38Å; F125-S141 WeakPolarHBondContact CE1-O 3.32Å; F125-S141 VanDerWaalsContact CZ-CB 3.5Å; F125-S141 PolarHBondContact N-O 3.11Å; F125-S141 PolarHBondContact O-N 2.87Å; F125-W142 WeakPolarHBondContact CE1-O 3.47Å; F125-I143 HydrophobicContact CD1-CB 3.64Å; F125-I143 HydrophobicContact CD1-CD1 4.41Å; F125-I143 HydrophobicContact CD1-CG2 3.8Å; F125-I143 HydrophobicContact CE1-CB 3.68Å; F125-I143 HydrophobicContact CE1-CD1 4.06Å; F125-I143 HydrophobicContact CE1-CG1 4.4Å; F125-I143 HydrophobicContact CE1-CG2 4.35Å
126	F	87.9	Confident	83.8	Confident	34 Å²	34	56 Å²	56	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.9	173.7	66.1	-74	0	0	0	110.3	C83 S84 L86 H128 L136 K140	C83-F126 VanDerWaalsContact CA-O 3.25Å; C83-F126 WeakPolarHBondContact CA-O 3.33Å; C83-F126 WeakPolarHBondContact CB-O 3.34Å; S84-F126 PolarHBondContact N-O 3.45Å; S84-F126 WeakPolarHBondContact O-CD1 3.36Å; S84-F126 PolarHBondContact O-N 3.04Å; S84-F126 WeakPolarHBondContact OG-CE1 3.48Å; S84-F126 WeakPolarHBondContact OG-CZ 3.26Å; L86-F126 HydrophobicContact CB-CD1 4.42Å; L86-F126 HydrophobicContact CD1-CD1 3.68Å; L86-F126 HydrophobicContact CD1-CE1 3.66Å; F126-H128 HydrophobicContact CD2-CB 4.16Å; F126-H128 AromaticContact CD2-CD2 3.75Å; F126-H128 HydrophobicContact CE2-CB 4.05Å; F126-H128 AromaticContact CE2-CD2 3.34Å; F126-H128 WeakPolarHBondContact CE2-CD2 3.27Å; F126-H128 AromaticContact CE2-CG 3.86Å; F126-H128 AromaticContact CZ-CD2 3.88Å; F126-L136 HydrophobicContact CD2-CD2 3.66Å; F126-L136 HydrophobicContact CE2-CD2 4.19Å; F126-K140 HydrophobicContact CB-CG 4.31Å
127	C	89.1	Confident	83.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132	178.1	-54.5	0	0	0	0	111.1	I69 T82 C83 F137 S138	I69-C127 HydrophobicContact CG2-CB 3.98Å; T82-C127 CarbonylContact O-C 3.33Å; T82-C127 VanDerWaalsContact O-CA 3.25Å; T82-C127 WeakPolarHBondContact O-CA 3.29Å; C83-C127 HydrophobicContact CB-CB 3.95Å; C83-C127 WeakPolarHBondContact CB-SG 3.23Å; C83-C127 WeakPolarHBondContact SG-CB 3.02Å; C83-C127 CovalentContact SG-SG 2.04Å; C83-C127 PolarHBondContact SG-SG 2.71Å; C127-F137 PolarHBondContact O-N 2.73Å; C127-S138 WeakPolarHBondContact CB-OG 3.41Å; C127-S138 PolarHBondContact N-OG 3.2Å; C127-S138 VanDerWaalsContact N-OG 3.09Å; C127-S138 PolarHBondContact O-N 2.98Å
128	H	86.2	Confident	83	Confident	18 Å²	18	52.9 Å²	52.9	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.4	-169.8	64.3	86.4	0	0	0	111.4	T82 S84 F126 V135 L136	T82-H128 PolarHBondContact N-O 2.82Å; T82-H128 PolarHBondContact O-N 3.42Å; T82-H128 VanDerWaalsContact O-O 3.04Å; S84-H128 PolarHBondContact OG-CD2 3.43Å; S84-H128 PolarHBondContact OG-NE2 3.23Å; F126-H128 HydrophobicContact CD2-CB 4.16Å; F126-H128 AromaticContact CD2-CD2 3.75Å; F126-H128 HydrophobicContact CE2-CB 4.05Å; F126-H128 AromaticContact CE2-CD2 3.34Å; F126-H128 WeakPolarHBondContact CE2-CD2 3.27Å; F126-H128 AromaticContact CE2-CG 3.86Å; F126-H128 AromaticContact CZ-CD2 3.88Å; H128-V135 CarbonylContact C-O 3.5Å; H128-V135 WeakPolarHBondContact CA-O 3.39Å; H128-V135 WeakPolarHBondContact CB-O 3.39Å; H128-L136 HydrophobicContact CB-CD2 4.06Å
129	D	85.6	Confident	82.9	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.053	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.4	168.6	-177.9	-90.4	0	0	0	111.1	S79 T80 V131 N132 S133 V135 F137	S79-D129 VanDerWaalsContact CA-OD2 3.29Å; S79-D129 WeakPolarHBondContact CA-OD2 3.18Å; S79-D129 WeakPolarHBondContact CB-OD2 3.45Å; S79-D129 PolarHBondContact OG-OD2 2.89Å; T80-D129 PolarHBondContact N-OD2 2.99Å; T80-D129 VanDerWaalsContact N-OD2 3.12Å; D129-V131 VanDerWaalsContact C-N 3.27Å; D129-V131 PolarHBondContact O-N 2.88Å; D129-V131 WeakPolarHBondContact OD1-CA 3.34Å; D129-V131 WeakPolarHBondContact OD1-CB 3.39Å; D129-V131 PolarHBondContact OD1-N 3.18Å; D129-N132 CarbonylContact O-C 3.6Å; D129-N132 PolarHBondContact OD1-N 2.9Å; D129-S133 PolarHBondContact O-N 2.98Å; D129-V135 HydrophobicContact CB-CB 4.09Å; D129-V135 PolarHBondContact N-O 3.01Å; D129-F137 HydrophobicContact CB-CE2 3.78Å; D129-F137 HydrophobicContact CB-CZ 3.98Å
130	K	84.3	Confident	83	Confident	111 Å²	111	59 Å²	59	48%	0.483	32%	0.319	S	S	.	.	S	Bend	trans	-65.2	-25.3	-177.4	173.8	169.2	169.5	171.5	0	113.8	T80 T82 E100	T80-K130 HydrophobicContact CG2-CB 4.27Å; T80-K130 HydrophobicContact CG2-CD 4.1Å; T80-K130 VanDerWaalsContact O-CB 3.24Å; T80-K130 WeakPolarHBondContact O-CB 3.15Å; T80-K130 PolarHBondContact O-N 3.46Å; T82-K130 HydrophobicContact CG2-CB 3.95Å; E100-K130 VanDerWaalsContact CD-CD 3.48Å; E100-K130 HydrophobicContact CG-CD 4.49Å; E100-K130 WeakPolarHBondContact OE1-CD 3.45Å; E100-K130 WeakPolarHBondContact OE1-CE 3.24Å; E100-K130 IonicContact OE1-NZ 2.68Å; E100-K130 PolarHBondContact OE1-NZ 2.95Å; E100-K130 VanDerWaalsContact OE2-CD 3.22Å; E100-K130 WeakPolarHBondContact OE2-CD 3.35Å; E100-K130 IonicContact OE2-NZ 2.66Å; E100-K130 PolarHBondContact OE2-NZ 2.83Å
131	V	80.7	Confident	83.2	Confident	134 Å²	134	58.3 Å²	58.3	81%	0.812	31%	0.312	S	S	*	.	S	Bend	trans	-95.1	-39.2	178.5	-171.8	0	0	0	0	110.7	D129	D129-V131 VanDerWaalsContact C-N 3.27Å; D129-V131 PolarHBondContact O-N 2.88Å; D129-V131 WeakPolarHBondContact OD1-CA 3.34Å; D129-V131 WeakPolarHBondContact OD1-CB 3.39Å; D129-V131 PolarHBondContact OD1-N 3.18Å
132	N	80.6	Confident	83.4	Confident	78 Å²	78	57.2 Å²	57.2	42%	0.417	30%	0.303	S	S	.	.			trans	-126.2	92.2	178.8	-176.8	8.9	0	0	0	112.2	D129 S134 V135	D129-N132 CarbonylContact O-C 3.6Å; D129-N132 PolarHBondContact OD1-N 2.9Å; N132-S134 VanDerWaalsContact CG-OG 3.27Å; N132-S134 PolarHBondContact ND2-OG 3.25Å; N132-S134 PolarHBondContact O-N 2.86Å; N132-S134 WeakPolarHBondContact OD1-CB 3.4Å; N132-S134 PolarHBondContact OD1-N 3.47Å; N132-S134 PolarHBondContact OD1-OG 3.47Å; N132-V135 HydrophobicContact CB-CG2 4.46Å; N132-V135 PolarHBondContact O-N 2.79Å
133	S	76.7	Confident	83.6	Confident	77 Å²	77	52.7 Å²	52.7	54%	0.538	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-6.6	-179.9	55.1	0	0	0	0	115.7	D129 V135	D129-S133 PolarHBondContact O-N 2.98Å; S133-V135 VanDerWaalsContact C-N 3.32Å
134	S	75.1	Confident	83.5	Confident	91 Å²	91	54.1 Å²	54.1	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.6	169.4	68.5	0	0	0	0	113.7	N132	N132-S134 VanDerWaalsContact CG-OG 3.27Å; N132-S134 PolarHBondContact ND2-OG 3.25Å; N132-S134 PolarHBondContact O-N 2.86Å; N132-S134 WeakPolarHBondContact OD1-CB 3.4Å; N132-S134 PolarHBondContact OD1-N 3.47Å; N132-S134 PolarHBondContact OD1-OG 3.47Å
135	V	77.6	Confident	83.2	Confident	32 Å²	32	52.3 Å²	52.3	19%	0.194	28%	0.278	C	S	.	.	S	Bend	trans	-88.6	112.8	173	-178	0	0	0	0	108.6	I73 F77 H128 D129 N132 S133 F137	I73-V135 HydrophobicContact CD1-CG1 4.33Å; F77-V135 HydrophobicContact CZ-CG1 4.14Å; H128-V135 CarbonylContact C-O 3.5Å; H128-V135 WeakPolarHBondContact CA-O 3.39Å; H128-V135 WeakPolarHBondContact CB-O 3.39Å; D129-V135 HydrophobicContact CB-CB 4.09Å; D129-V135 PolarHBondContact N-O 3.01Å; N132-V135 HydrophobicContact CB-CG2 4.46Å; N132-V135 PolarHBondContact O-N 2.79Å; S133-V135 VanDerWaalsContact C-N 3.32Å; V135-F137 HydrophobicContact CG1-CE1 3.77Å; V135-F137 HydrophobicContact CG1-CZ 3.85Å
136	L	77.7	Confident	82.8	Confident	104 Å²	104	57.5 Å²	57.5	55%	0.545	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-99.5	138.7	-179.9	-60.8	177.1	0	0	0	111.1	F126 H128	F126-L136 HydrophobicContact CD2-CD2 3.66Å; F126-L136 HydrophobicContact CE2-CD2 4.19Å; H128-L136 HydrophobicContact CB-CD2 4.06Å
137	F	78.1	Confident	82.3	Confident	11 Å²	11	63.8 Å²	63.8	5%	0.048	33%	0.325	C	S	.	.	S	Bend	trans	-113	-5.4	175.9	-58.3	-54.4	0	0	0	113.6	I69 F77 A81 L103 C127 D129 V135	I69-F137 HydrophobicContact CB-CB 4.2Å; I69-F137 HydrophobicContact CD1-CB 4.45Å; F77-F137 AromaticContact CE1-CE1 3.59Å; F77-F137 HydrophobicContact CE1-CE1 3.59Å; F77-F137 AromaticContact CE1-CZ 3.8Å; F77-F137 HydrophobicContact CE1-CZ 3.8Å; F77-F137 AromaticContact CZ-CE1 3.66Å; F77-F137 HydrophobicContact CZ-CE1 3.66Å; F77-F137 AromaticContact CZ-CZ 3.71Å; F77-F137 HydrophobicContact CZ-CZ 3.71Å; A81-F137 HydrophobicContact CB-CD2 3.39Å; A81-F137 HydrophobicContact CB-CE2 3.62Å; A81-F137 HydrophobicContact CB-CG 4.31Å; L103-F137 HydrophobicContact CD1-CD1 3.93Å; L103-F137 HydrophobicContact CD1-CD2 4.22Å; L103-F137 HydrophobicContact CD1-CE1 4.13Å; L103-F137 HydrophobicContact CD1-CE2 4.37Å; L103-F137 HydrophobicContact CD1-CG 3.99Å; L103-F137 HydrophobicContact CD1-CZ 4.35Å; C127-F137 PolarHBondContact O-N 2.73Å; D129-F137 HydrophobicContact CB-CE2 3.78Å; D129-F137 HydrophobicContact CB-CZ 3.98Å; V135-F137 HydrophobicContact CG1-CE1 3.77Å; V135-F137 HydrophobicContact CG1-CZ 3.85Å
138	S	75.9	Confident	81.7	Confident	22 Å²	22	65.2 Å²	65.2	15%	0.154	34%	0.335	C	S	.	.	S	Bend	trans	-143.9	157.7	171.1	80	0	0	0	0	110.3	C127	C127-S138 WeakPolarHBondContact CB-OG 3.41Å; C127-S138 PolarHBondContact N-OG 3.2Å; C127-S138 VanDerWaalsContact N-OG 3.09Å; C127-S138 PolarHBondContact O-N 2.98Å
139	N	80.6	Confident	81.7	Confident	122 Å²	122	64.5 Å²	64.5	65%	0.652	33%	0.331	S	S	*	.			trans	-64.4	159.5	157.5	-72.4	-18	0	0	0	110	S141	N139-S141 PolarHBondContact O-N 3.21Å; N139-S141 PolarHBondContact O-OG 3.37Å; N139-S141 VanDerWaalsContact O-OG 3.14Å
140	K	84.6	Confident	81.9	Confident	114 Å²	114	66 Å²	66	50%	0.496	34%	0.341	S	S	.	.			trans	-56.2	135.8	169.4	-63.2	178.1	-179.2	175	0	108.9	L86 L124 F125 F126	L86-K140 HydrophobicContact CD2-CD 4.36Å; L124-K140 HydrophobicContact CD1-CB 4.01Å; L124-K140 HydrophobicContact CD2-CD 4.4Å; L124-K140 HydrophobicContact CG-CB 4.39Å; F125-K140 WeakPolarHBondContact O-CA 3.31Å; F126-K140 HydrophobicContact CB-CG 4.31Å
141	S	87.9	Confident	82.3	Confident	4 Å²	4	60.8 Å²	60.8	3%	0.028	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.5	-172	-63.9	0	0	0	0	110	I54 L124 F125 N139	I54-S141 CarbonylContact O-C 3.55Å; I54-S141 VanDerWaalsContact O-CA 3.27Å; I54-S141 WeakPolarHBondContact O-CA 3.41Å; I54-S141 VanDerWaalsContact O-CB 3.28Å; I54-S141 WeakPolarHBondContact O-CB 3.45Å; L124-S141 WeakPolarHBondContact CD1-O 3.09Å; F125-S141 WeakPolarHBondContact CD1-O 3.38Å; F125-S141 WeakPolarHBondContact CE1-O 3.32Å; F125-S141 VanDerWaalsContact CZ-CB 3.5Å; F125-S141 PolarHBondContact N-O 3.11Å; F125-S141 PolarHBondContact O-N 2.87Å; N139-S141 PolarHBondContact O-N 3.21Å; N139-S141 PolarHBondContact O-OG 3.37Å; N139-S141 VanDerWaalsContact O-OG 3.14Å
142	W	88.7	Confident	82.8	Confident	94 Å²	94	55.6 Å²	55.6	36%	0.356	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.7	177.4	-69.2	101.8	0	0	0	111.1	I54 S55 Y56 E122 V123 L124 F125	I54-W142 PolarHBondContact O-N 2.62Å; S55-W142 WeakPolarHBondContact CA-O 3.41Å; Y56-W142 PolarHBondContact N-O 2.77Å; E122-W142 HydrophobicContact CB-CE3 4.12Å; E122-W142 HydrophobicContact CG-CD2 4.34Å; E122-W142 HydrophobicContact CG-CE3 3.72Å; E122-W142 HydrophobicContact CG-CZ3 4.14Å; V123-W142 VanDerWaalsContact C-CE3 3.44Å; L124-W142 HydrophobicContact CB-CD2 4.22Å; L124-W142 HydrophobicContact CB-CE3 3.91Å; L124-W142 HydrophobicContact CB-CH2 3.98Å; L124-W142 HydrophobicContact CB-CZ2 4.28Å; L124-W142 HydrophobicContact CB-CZ3 3.79Å; L124-W142 HydrophobicContact CD1-CD2 3.93Å; L124-W142 HydrophobicContact CD1-CE3 4.48Å; L124-W142 HydrophobicContact CD1-CG 4.19Å; L124-W142 HydrophobicContact CD1-CZ2 4.21Å; L124-W142 VanDerWaalsContact N-CE3 3.32Å; F125-W142 WeakPolarHBondContact CE1-O 3.47Å
143	I	88.6	Confident	83.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.1	173.5	-157.3	151.6	0	0	0	112.4	Y56 I65 I67 F85 T94 F98 F114 E122 V123 F125	Y56-I143 CarbonylContact O-C 3.55Å; Y56-I143 VanDerWaalsContact O-CA 3.26Å; Y56-I143 WeakPolarHBondContact O-CA 3.36Å; I65-I143 HydrophobicContact CB-CD1 4.47Å; I65-I143 HydrophobicContact CD1-CD1 3.87Å; I65-I143 HydrophobicContact CD1-CG1 3.61Å; I65-I143 HydrophobicContact CG2-CD1 4.23Å; I67-I143 HydrophobicContact CD1-CD1 4.01Å; F85-I143 HydrophobicContact CD1-CG2 4.44Å; F85-I143 HydrophobicContact CE1-CG2 3.75Å; T94-I143 HydrophobicContact CG2-CG2 4.3Å; F98-I143 HydrophobicContact CE1-CD1 4.12Å; F114-I143 HydrophobicContact CB-CD1 3.79Å; F114-I143 HydrophobicContact CD1-CD1 3.27Å; F114-I143 HydrophobicContact CD1-CG1 3.86Å; F114-I143 HydrophobicContact CD2-CD1 4.21Å; F114-I143 HydrophobicContact CE1-CD1 3.76Å; F114-I143 HydrophobicContact CE1-CG1 3.9Å; F114-I143 HydrophobicContact CE1-CG2 4.45Å; F114-I143 HydrophobicContact CG-CD1 3.49Å; F114-I143 VanDerWaalsContact CG-CD1 3.49Å; F114-I143 HydrophobicContact CZ-CD1 4.4Å; F114-I143 HydrophobicContact CZ-CG2 4.39Å; E122-I143 WeakPolarHBondContact CA-O 3.46Å; V123-I143 PolarHBondContact N-O 3.15Å; V123-I143 PolarHBondContact O-N 3.29Å; F125-I143 HydrophobicContact CD1-CB 3.64Å; F125-I143 HydrophobicContact CD1-CD1 4.41Å; F125-I143 HydrophobicContact CD1-CG2 3.8Å; F125-I143 HydrophobicContact CE1-CB 3.68Å; F125-I143 HydrophobicContact CE1-CD1 4.06Å; F125-I143 HydrophobicContact CE1-CG1 4.4Å; F125-I143 HydrophobicContact CE1-CG2 4.35Å
144	Q	86.9	Confident	83.5	Confident	42 Å²	42	49.3 Å²	49.3	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.4	-180	-163.7	-173.9	31.3	0	0	113.1	Y56 S57 T58 T94 G120 E122 R146	Y56-Q144 PolarHBondContact O-N 2.84Å; S57-Q144 CarbonylContact C-O 3.41Å; S57-Q144 VanDerWaalsContact CA-O 3.31Å; S57-Q144 WeakPolarHBondContact CA-O 3.42Å; T58-Q144 PolarHBondContact N-O 3.22Å; T94-Q144 WeakPolarHBondContact OG1-CA 3.36Å; G120-Q144 PolarHBondContact O-NE2 2.76Å; E122-Q144 HydrophobicContact CB-CB 4.07Å; E122-Q144 HydrophobicContact CB-CG 4.36Å; Q144-R146 HydrophobicContact CG-CG 4.26Å
145	C	84.1	Confident	83.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.1	165.7	-64.2	0	0	0	0	109.2	T58 T94 C116 Q118 V119 G120	T58-C145 CarbonylContact O-C 3.37Å; T58-C145 WeakPolarHBondContact O-CA 3.33Å; T94-C145 HydrophobicContact CG2-CB 3.87Å; T94-C145 VanDerWaalsContact CG2-N 3.31Å; T94-C145 VanDerWaalsContact CG2-SG 3.59Å; T94-C145 PolarHBondContact OG1-N 2.83Å; C116-C145 VanDerWaalsContact CA-SG 3.51Å; C116-C145 HydrophobicContact CB-CB 3.92Å; C116-C145 WeakPolarHBondContact CB-SG 3.48Å; C116-C145 WeakPolarHBondContact SG-CB 3.25Å; C116-C145 CovalentContact SG-SG 2.03Å; C116-C145 PolarHBondContact SG-SG 2.85Å; Q118-C145 WeakPolarHBondContact O-CB 3Å; V119-C145 WeakPolarHBondContact CA-O 3.17Å; V119-C145 WeakPolarHBondContact CG1-O 3.47Å; G120-C145 PolarHBondContact N-O 3.22Å
146	R	81.2	Confident	83.9	Confident	109 Å²	109	55.4 Å²	55.4	41%	0.411	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	157.4	-179	-65.4	-179.6	179.7	167.6	5.3	111.2	T58 N59 M60 V119 Q144	T58-R146 PolarHBondContact O-N 2.63Å; N59-R146 WeakPolarHBondContact OD1-CB 3.43Å; M60-R146 PolarHBondContact N-O 2.89Å; V119-R146 WeakPolarHBondContact CG2-O 3.36Å; Q144-R146 HydrophobicContact CG-CG 4.26Å
147	K	77.5	Confident	83.7	Confident	167 Å²	167	55.7 Å²	55.7	73%	0.726	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-60.2	142.7	170	-65	-168.8	178.9	175.9	0	108.8	V119	V119-K147 HydrophobicContact CG1-CG 3.72Å
148	P	77.4	Confident	83.7	Confident	30 Å²	30	56 Å²	56	20%	0.195	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-59.6	142.6	169.7	28.4	-35.2	0	0	0	109.8	N61 T246	N61-P148 WeakPolarHBondContact OD1-CB 3.23Å; P148-T246 WeakPolarHBondContact CB-OG1 3.38Å
149	P	86.5	Confident	83.4	Confident	2 Å²	2	63 Å²	63	1%	0.013	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-75.6	136.9	-178.4	32.9	-35.5	0	0	0	109.6	N59 S176 E177 Q241 Y242 S247	N59-P149 WeakPolarHBondContact ND2-CD 3.24Å; P149-S176 VanDerWaalsContact CA-OG 3.23Å; P149-S176 WeakPolarHBondContact CA-OG 3.41Å; P149-S176 WeakPolarHBondContact CB-OG 3.38Å; P149-E177 HydrophobicContact CB-CG 3.77Å; P149-E177 WeakPolarHBondContact CB-OE1 3.03Å; P149-Q241 WeakPolarHBondContact CD-O 3.17Å; P149-Q241 HydrophobicContact CG-CG 4.14Å; P149-Q241 WeakPolarHBondContact CG-O 3.48Å; P149-Y242 HydrophobicContact CB-CD1 4.18Å; P149-Y242 HydrophobicContact CB-CE1 3.62Å; P149-Y242 HydrophobicContact CB-CE2 4.43Å; P149-Y242 HydrophobicContact CG-CD1 4.11Å; P149-Y242 HydrophobicContact CG-CE1 4.04Å; P149-Y242 HydrophobicContact CG-CE2 4.49Å; P149-Y242 HydrophobicContact CG-CG 4.37Å; P149-S247 WeakPolarHBondContact O-CA 3.16Å
150	V	89.2	Confident	83	Confident	43 Å²	43	58 Å²	58	26%	0.261	27%	0.272	S	S	.	.			trans	-120.5	155.9	-170	-66.1	0	0	0	0	111.7	S176 S247	V150-S176 PolarHBondContact N-OG 2.83Å; V150-S176 PolarHBondContact O-N 3.31Å; V150-S176 PolarHBondContact O-OG 2.92Å; V150-S247 CarbonylContact C-O 3.48Å; V150-S247 WeakPolarHBondContact CA-O 3.5Å
151	V	92.4	Very high	82	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.2	-179.5	-177.8	0	0	0	0	108.5	I173 T175 I184 V186 C232 A234 Y242 S247 G249	V151-I173 HydrophobicContact CG1-CG2 3.29Å; V151-T175 HydrophobicContact CG1-CG2 4.43Å; V151-T175 HydrophobicContact CG2-CG2 3.99Å; V151-I184 HydrophobicContact CG2-CD1 4.37Å; V151-V186 HydrophobicContact CG1-CG1 3.88Å; V151-V186 HydrophobicContact CG1-CG2 4.27Å; V151-C232 HydrophobicContact CG1-CB 4.44Å; V151-A234 HydrophobicContact CB-CB 4.23Å; V151-A234 HydrophobicContact CG2-CB 3.47Å; V151-A234 VanDerWaalsContact CG2-CB 3.47Å; V151-Y242 HydrophobicContact CG2-CD1 3.66Å; V151-Y242 HydrophobicContact CG2-CE1 3.58Å; V151-S247 PolarHBondContact N-O 3.21Å; V151-G249 WeakPolarHBondContact O-CA 3.38Å; V151-G249 PolarHBondContact O-N 2.84Å
152	S	92.1	Very high	80.9	Confident	25 Å²	25	57.8 Å²	57.8	18%	0.175	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	156.8	179.4	-60.1	0	0	0	0	110.5	L174 S250	S152-L174 PolarHBondContact N-O 2.87Å; S152-L174 PolarHBondContact O-N 2.94Å; S152-S250 PolarHBondContact OG-N 2.76Å
153	I	90.4	Very high	79.8	Confident	2 Å²	2	59 Å²	59	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.2	174.8	-170.9	177.4	0	0	0	110.3	M171 V215 I230 S250	I153-M171 HydrophobicContact CD1-CB 3.82Å; I153-M171 HydrophobicContact CD1-CE 4.06Å; I153-M171 HydrophobicContact CD1-CG 4.28Å; I153-M171 HydrophobicContact CD1-SD 3.54Å; I153-M171 VanDerWaalsContact CD1-SD 3.54Å; I153-M171 HydrophobicContact CG1-CB 3.89Å; I153-M171 HydrophobicContact CG1-CE 3.98Å; I153-M171 HydrophobicContact CG1-SD 4.1Å; I153-V215 HydrophobicContact CD1-CG1 3.83Å; I153-V215 HydrophobicContact CG1-CG1 4.44Å; I153-I230 HydrophobicContact CD1-CB 4.37Å; I153-I230 HydrophobicContact CD1-CG2 3.81Å; I153-S250 PolarHBondContact N-O 3.2Å; I153-S250 VanDerWaalsContact N-O 3.13Å
154	A	80.4	Confident	78.8	Confident	21 Å²	21	64.2 Å²	64.2	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.5	-171.6	0	0	0	0	0	112.2	I172 L174	A154-I172 HydrophobicContact CB-CB 4.46Å; A154-I172 PolarHBondContact N-O 3.38Å; A154-I172 PolarHBondContact O-N 2.9Å; A154-L174 HydrophobicContact CB-CD1 3.77Å; A154-L174 HydrophobicContact CB-CG 4.18Å
155	P	84.2	Confident	78.2	Confident	76 Å²	76	65.1 Å²	65.1	49%	0.494	32%	0.322	S	S	.	.	S	Bend	cis	-67.6	163.9	-3.4	-16.8	30.7	0	0	0	113.5	T157 V158 S252	P155-T157 VanDerWaalsContact C-N 3.3Å; P155-T157 PolarHBondContact O-N 2.03Å; P155-V158 HydrophobicContact CB-CG2 4.28Å; P155-V158 HydrophobicContact CG-CG2 4.25Å; P155-S252 WeakPolarHBondContact O-CB 3.45Å; P155-S252 PolarHBondContact O-OG 2.77Å
156	R	77.1	Confident	77.8	Confident	176 Å²	176	69.8 Å²	69.8	66%	0.664	35%	0.352	S	S	*	.	S	Bend	trans	-67.7	-27.3	177.5	-81.9	-175	168.4	-173.4	-4.8	114	S250 S252 V253	R156-S250 PolarHBondContact NH2-OG 3.49Å; R156-S252 VanDerWaalsContact O-CA 3.31Å; R156-S252 WeakPolarHBondContact O-CA 3.39Å; R156-S252 PolarHBondContact O-OG 3.24Å; R156-V253 PolarHBondContact O-N 3.29Å
157	T	74.7	Confident	77.7	Confident	109 Å²	109	65.7 Å²	65.7	67%	0.669	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.1	175.3	43.3	0	0	0	0	108.3	P155 V253	P155-T157 VanDerWaalsContact C-N 3.3Å; P155-T157 PolarHBondContact O-N 2.03Å; T157-V253 CarbonylContact C-O 3.47Å; T157-V253 WeakPolarHBondContact CA-O 3.24Å
158	V	77.5	Confident	78	Confident	18 Å²	18	62.8 Å²	62.8	11%	0.109	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	112.3	-179.6	-168	0	0	0	0	109.1	P155 L160 M171 V253 I254 S255	P155-V158 HydrophobicContact CB-CG2 4.28Å; P155-V158 HydrophobicContact CG-CG2 4.25Å; V158-L160 HydrophobicContact CG1-CD2 3.51Å; V158-L160 HydrophobicContact CG1-CG 3.84Å; V158-M171 HydrophobicContact CG2-CE 3.63Å; V158-V253 PolarHBondContact N-O 2.94Å; V158-I254 HydrophobicContact CB-CG1 4.33Å; V158-I254 CarbonylContact O-C 3.58Å; V158-I254 WeakPolarHBondContact O-CA 3.32Å; V158-S255 PolarHBondContact O-N 2.92Å
159	R	70.3	Confident	78.3	Confident	170 Å²	170	63.8 Å²	63.8	64%	0.642	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.6	164	-79.8	-174.5	165.1	178.9	-1.8	108.6	S255 I257 E260	R159-S255 CarbonylContact C-O 3.51Å; R159-S255 WeakPolarHBondContact CA-O 3.33Å; R159-I257 HydrophobicContact CB-CD1 4.12Å; R159-I257 HydrophobicContact CB-CG1 4.41Å; R159-E260 IonicContact CZ-OE1 3.36Å; R159-E260 IonicContact NH1-OE1 3.58Å; R159-E260 PolarHBondContact NH1-OE1 2.96Å
160	L	70.9	Confident	78.2	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.1	177.1	-64.9	-175.9	0	0	0	110	V158 F167 Q169 I254 S255 L256 I257	V158-L160 HydrophobicContact CG1-CD2 3.51Å; V158-L160 HydrophobicContact CG1-CG 3.84Å; L160-F167 HydrophobicContact CD1-CE2 4.47Å; L160-Q169 HydrophobicContact CD1-CB 3.88Å; L160-Q169 HydrophobicContact CD1-CG 3.84Å; L160-Q169 HydrophobicContact CD2-CG 4.08Å; L160-Q169 VanDerWaalsContact CD2-OE1 3.23Å; L160-I254 HydrophobicContact CD1-CD1 4.41Å; L160-I254 HydrophobicContact CD1-CG2 3.46Å; L160-I254 VanDerWaalsContact CD1-CG2 3.46Å; L160-I254 HydrophobicContact CG-CG2 3.88Å; L160-S255 PolarHBondContact N-O 2.92Å; L160-L256 HydrophobicContact CB-CD2 4.24Å; L160-L256 CarbonylContact O-C 3.6Å; L160-L256 WeakPolarHBondContact O-CA 3.3Å; L160-I257 VanDerWaalsContact O-CG1 3.29Å; L160-I257 WeakPolarHBondContact O-CG1 3.36Å; L160-I257 PolarHBondContact O-N 3.16Å
161	L	64.1	Low	78	Confident	43 Å²	43	70.7 Å²	70.7	23%	0.225	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.9	168.3	-67.7	176.4	0	0	0	111	K163 I257 N282	L161-K163 PolarHBondContact O-N 2.89Å; L161-I257 CarbonylContact C-O 3.52Å; L161-I257 VanDerWaalsContact CA-O 3.31Å; L161-I257 WeakPolarHBondContact CA-O 3.11Å; L161-I257 HydrophobicContact CD2-CD1 3.99Å; L161-I257 HydrophobicContact CD2-CG1 4.17Å; L161-N282 VanDerWaalsContact CD2-O 3.29Å; L161-N282 WeakPolarHBondContact CD2-O 3.4Å
162	K	65.1	Low	77.8	Confident	69 Å²	69	74.9 Å²	74.9	30%	0.3	38%	0.375	S	S	.	.			trans	-66.1	91.5	173.7	-174.8	-175.9	176.7	-171.3	0	109.9	I222 I257 S258 D383	K162-I222 HydrophobicContact CG-CD1 4.09Å; K162-I257 PolarHBondContact N-O 3.01Å; K162-S258 WeakPolarHBondContact CD-OG 3.3Å; K162-D383 IonicContact NZ-OD2 2.72Å
163	K	65.3	Low	77.7	Confident	120 Å²	120	73.7 Å²	73.7	52%	0.522	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-85.7	159.5	175.2	-69.2	171	-176.3	178.6	0	111	L161 T165 F167	L161-K163 PolarHBondContact O-N 2.89Å; K163-T165 PolarHBondContact O-N 3.22Å; K163-F167 HydrophobicContact CB-CB 4.39Å; K163-F167 HydrophobicContact CB-CD1 3.68Å; K163-F167 HydrophobicContact CB-CD2 4.41Å; K163-F167 HydrophobicContact CB-CE1 3.95Å; K163-F167 HydrophobicContact CB-CG 3.93Å; K163-F167 HydrophobicContact CB-CZ 4.43Å; K163-F167 HydrophobicContact CD-CD2 4.39Å; K163-F167 WeakPolarHBondContact O-CE1 3.48Å
164	P	68.7	Low	77.6	Confident	110 Å²	110	76.6 Å²	76.6	71%	0.714	38%	0.382	S	S	*	.	S	Bend	trans	-52.9	133.5	166.1	-24.3	34.5	0	0	0	110.7
165	T	72.2	Confident	78	Confident	61 Å²	61	76.3 Å²	76.3	37%	0.374	38%	0.378	S	S	.	.	S	Bend	trans	-94	147.3	-178.9	49.9	0	0	0	0	111.7	K163 F167 I219 Q220 I222	K163-T165 PolarHBondContact O-N 3.22Å; T165-F167 HydrophobicContact CG2-CD1 3.81Å; T165-F167 HydrophobicContact CG2-CE1 3.84Å; T165-I219 HydrophobicContact CG2-CG2 4.01Å; T165-Q220 VanDerWaalsContact CB-O 3.3Å; T165-Q220 WeakPolarHBondContact CB-O 3.28Å; T165-Q220 PolarHBondContact OG1-O 3.47Å; T165-I222 HydrophobicContact CG2-CD1 3.85Å; T165-I222 HydrophobicContact CG2-CG1 4.12Å
166	P	76.8	Confident	78.1	Confident	98 Å²	98	76 Å²	76	64%	0.636	38%	0.378	S	S	*	.	S	Bend	cis	-79.9	144.3	3.8	32.2	-35.4	0	0	0	113.5	T218 I219	P166-T218 HydrophobicContact CB-CG2 4.36Å; P166-I219 CarbonylContact C-O 3.47Å; P166-I219 WeakPolarHBondContact CA-O 3.34Å
167	F	78.6	Confident	78.4	Confident	23 Å²	23	70.9 Å²	70.9	10%	0.101	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.1	171	70.2	-94.1	0	0	0	112.7	L160 K163 T165 I219 I222 L256	L160-F167 HydrophobicContact CD1-CE2 4.47Å; K163-F167 HydrophobicContact CB-CB 4.39Å; K163-F167 HydrophobicContact CB-CD1 3.68Å; K163-F167 HydrophobicContact CB-CD2 4.41Å; K163-F167 HydrophobicContact CB-CE1 3.95Å; K163-F167 HydrophobicContact CB-CG 3.93Å; K163-F167 HydrophobicContact CB-CZ 4.43Å; K163-F167 HydrophobicContact CD-CD2 4.39Å; K163-F167 WeakPolarHBondContact O-CE1 3.48Å; T165-F167 HydrophobicContact CG2-CD1 3.81Å; T165-F167 HydrophobicContact CG2-CE1 3.84Å; F167-I219 HydrophobicContact CD1-CB 4.33Å; F167-I219 HydrophobicContact CD2-CD1 4.16Å; F167-I219 HydrophobicContact CE1-CB 4.01Å; F167-I219 HydrophobicContact CE1-CG2 4.04Å; F167-I219 HydrophobicContact CE2-CB 4.24Å; F167-I219 HydrophobicContact CE2-CD1 3.76Å; F167-I219 HydrophobicContact CE2-CG1 4.09Å; F167-I219 HydrophobicContact CZ-CB 3.96Å; F167-I219 HydrophobicContact CZ-CD1 4.23Å; F167-I219 HydrophobicContact CZ-CG1 4.04Å; F167-I219 HydrophobicContact CZ-CG2 4.19Å; F167-I219 PolarHBondContact N-O 2.75Å; F167-I219 PolarHBondContact O-N 3.33Å; F167-I222 HydrophobicContact CE1-CD1 4.08Å; F167-L256 HydrophobicContact CZ-CD2 3.91Å
168	N	83.4	Confident	78.8	Confident	106 Å²	106	69.6 Å²	69.6	57%	0.567	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.3	-175.2	-64.5	-20.7	0	0	0	111.4	V217 T218	N168-V217 CarbonylContact C-O 3.53Å; N168-V217 WeakPolarHBondContact CA-O 3.29Å; N168-T218 WeakPolarHBondContact OD1-CG2 3.36Å; N168-T218 PolarHBondContact OD1-OG1 3.46Å
169	Q	84.1	Confident	79.1	Confident	51 Å²	51	68.8 Å²	68.8	24%	0.238	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.4	163	179.5	58.6	30.1	0	0	109.7	L160 M171 V217 I219	L160-Q169 HydrophobicContact CD1-CB 3.88Å; L160-Q169 HydrophobicContact CD1-CG 3.84Å; L160-Q169 HydrophobicContact CD2-CG 4.08Å; L160-Q169 VanDerWaalsContact CD2-OE1 3.23Å; Q169-M171 HydrophobicContact CG-CG 4.17Å; Q169-V217 HydrophobicContact CB-CB 4.45Å; Q169-V217 PolarHBondContact N-O 3.08Å; Q169-V217 PolarHBondContact O-N 2.68Å; Q169-I219 HydrophobicContact CB-CD1 4.26Å
170	R	84.7	Confident	79.3	Confident	186 Å²	186	63.1 Å²	63.1	70%	0.702	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.9	168	-66.1	-170.1	-63.2	-178.2	0.6	109.9	V214 V215	R170-V214 HydrophobicContact CB-CG1 4.14Å; R170-V214 HydrophobicContact CG-CG1 4.36Å; R170-V215 WeakPolarHBondContact CA-O 3.47Å
171	M	85.6	Confident	79.2	Confident	3 Å²	3	70 Å²	70	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.6	173.9	-59.7	-162.6	73.8	0	0	110.2	I153 V158 Q169 V214 V215 V217 I230 S252 I254	I153-M171 HydrophobicContact CD1-CB 3.82Å; I153-M171 HydrophobicContact CD1-CE 4.06Å; I153-M171 HydrophobicContact CD1-CG 4.28Å; I153-M171 HydrophobicContact CD1-SD 3.54Å; I153-M171 VanDerWaalsContact CD1-SD 3.54Å; I153-M171 HydrophobicContact CG1-CB 3.89Å; I153-M171 HydrophobicContact CG1-CE 3.98Å; I153-M171 HydrophobicContact CG1-SD 4.1Å; V158-M171 HydrophobicContact CG2-CE 3.63Å; Q169-M171 HydrophobicContact CG-CG 4.17Å; M171-V214 WeakPolarHBondContact O-CA 3.41Å; M171-V215 HydrophobicContact CB-CG1 3.93Å; M171-V215 PolarHBondContact N-O 3.42Å; M171-V215 PolarHBondContact O-N 3.07Å; M171-V217 HydrophobicContact CG-CG2 4.16Å; M171-V217 HydrophobicContact SD-CG2 4.1Å; M171-I230 HydrophobicContact SD-CD1 4.09Å; M171-S252 WeakPolarHBondContact CE-OG 3.4Å; M171-I254 HydrophobicContact SD-CD1 3.72Å; M171-I254 HydrophobicContact SD-CG1 4.27Å
172	I	86.9	Confident	79.9	Confident	89 Å²	89	68.5 Å²	68.5	46%	0.456	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.2	-178.4	-61.2	172.8	0	0	0	108.4	A154 L174	A154-I172 HydrophobicContact CB-CB 4.46Å; A154-I172 PolarHBondContact N-O 3.38Å; A154-I172 PolarHBondContact O-N 2.9Å; I172-L174 HydrophobicContact CG2-CD2 3.64Å; I172-L174 HydrophobicContact CG2-CG 4.16Å
173	I	90.9	Very high	81.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.7	164.9	-66.6	162.9	0	0	0	107.5	V151 T175 V186 V204 V206 T212 G213 V215	V151-I173 HydrophobicContact CG1-CG2 3.29Å; I173-T175 HydrophobicContact CG2-CG2 4.47Å; I173-V186 HydrophobicContact CD1-CB 3.95Å; I173-V186 HydrophobicContact CD1-CG1 3.75Å; I173-V186 HydrophobicContact CD1-CG2 4.31Å; I173-V186 HydrophobicContact CG1-CG1 4.27Å; I173-V186 HydrophobicContact CG2-CG1 4.36Å; I173-V186 HydrophobicContact CG2-CG2 4.4Å; I173-V204 HydrophobicContact CD1-CB 4.37Å; I173-V206 HydrophobicContact CD1-CG2 4.36Å; I173-T212 CarbonylContact O-C 3.59Å; I173-T212 VanDerWaalsContact O-CA 3.26Å; I173-T212 WeakPolarHBondContact O-CA 3.36Å; I173-G213 PolarHBondContact N-O 2.88Å; I173-G213 PolarHBondContact O-N 3.29Å; I173-V215 HydrophobicContact CD1-CB 3.88Å; I173-V215 HydrophobicContact CD1-CG1 4.33Å; I173-V215 HydrophobicContact CG1-CB 4.15Å; I173-V215 HydrophobicContact CG1-CG1 4.04Å
174	L	89.1	Confident	82.3	Confident	62 Å²	62	61.9 Å²	61.9	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122	172.9	-60.2	178.5	0	0	0	109	S152 A154 I172 T212	S152-L174 PolarHBondContact N-O 2.87Å; S152-L174 PolarHBondContact O-N 2.94Å; A154-L174 HydrophobicContact CB-CD1 3.77Å; A154-L174 HydrophobicContact CB-CG 4.18Å; I172-L174 HydrophobicContact CG2-CD2 3.64Å; I172-L174 HydrophobicContact CG2-CG 4.16Å; L174-T212 HydrophobicContact CD2-CG2 3.82Å
175	T	88.7	Confident	83.5	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.092	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.9	174	66.4	0	0	0	0	110	V151 I173 E177 V179 I184 S211 Y242	V151-T175 HydrophobicContact CG1-CG2 4.43Å; V151-T175 HydrophobicContact CG2-CG2 3.99Å; I173-T175 HydrophobicContact CG2-CG2 4.47Å; T175-E177 WeakPolarHBondContact CB-O 3.43Å; T175-E177 PolarHBondContact O-N 3.31Å; T175-E177 PolarHBondContact OG1-O 3.38Å; T175-V179 HydrophobicContact CG2-CG2 4.12Å; T175-I184 HydrophobicContact CG2-CD1 3.98Å; T175-S211 PolarHBondContact N-O 3.13Å; T175-S211 VanDerWaalsContact OG1-C 3.31Å; T175-S211 VanDerWaalsContact OG1-CA 3.22Å; T175-S211 WeakPolarHBondContact OG1-CA 3.19Å; T175-S211 PolarHBondContact OG1-O 3.48Å; T175-S211 VanDerWaalsContact OG1-O 3.07Å; T175-Y242 WeakPolarHBondContact CB-OH 3.09Å
176	S	85.1	Confident	84.5	Confident	70 Å²	70	56.9 Å²	56.9	49%	0.49	29%	0.293	S	S	.	.	S	Bend	trans	-70.4	-18.2	-176.3	59.6	0	0	0	0	114.3	P149 V150	P149-S176 VanDerWaalsContact CA-OG 3.23Å; P149-S176 WeakPolarHBondContact CA-OG 3.41Å; P149-S176 WeakPolarHBondContact CB-OG 3.38Å; V150-S176 PolarHBondContact N-OG 2.83Å; V150-S176 PolarHBondContact O-N 3.31Å; V150-S176 PolarHBondContact O-OG 2.92Å
177	E	83.6	Confident	85.3	Confident	69 Å²	69	55 Å²	55	32%	0.322	28%	0.281	S	S	.	.	S	Bend	trans	-146.7	170.3	175.2	55.8	-178	-152.1	0	0	108.9	P149 T175 Q241 Y242	P149-E177 HydrophobicContact CB-CG 3.77Å; P149-E177 WeakPolarHBondContact CB-OE1 3.03Å; T175-E177 WeakPolarHBondContact CB-O 3.43Å; T175-E177 PolarHBondContact O-N 3.31Å; T175-E177 PolarHBondContact OG1-O 3.38Å; E177-Q241 WeakPolarHBondContact OE1-CG 3.25Å; E177-Q241 PolarHBondContact OE1-NE2 2.96Å; E177-Y242 VanDerWaalsContact CG-OH 3.28Å; E177-Y242 WeakPolarHBondContact CG-OH 3.48Å; E177-Y242 PolarHBondContact N-OH 2.91Å; E177-Y242 PolarHBondContact O-OH 2.87Å
178	I	82.2	Confident	86.1	Confident	82 Å²	82	54 Å²	54	42%	0.421	28%	0.276	S	S	.	.			trans	-66.8	135.7	176.4	-63.3	170	0	0	0	109.1	S180 Q241	I178-S180 PolarHBondContact O-N 3.33Å; I178-Q241 PolarHBondContact O-NE2 3.31Å
179	V	84.1	Confident	86.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.			trans	-65.6	115.3	172.4	-179.7	0	0	0	0	108.5	T175 S182 I184 V206 S208 G209 T210 Y242	T175-V179 HydrophobicContact CG2-CG2 4.12Å; V179-S182 WeakPolarHBondContact CG1-O 3.46Å; V179-I184 HydrophobicContact CG1-CB 4.49Å; V179-I184 HydrophobicContact CG1-CG1 4.13Å; V179-I184 HydrophobicContact CG1-CG2 3.84Å; V179-I184 HydrophobicContact CG2-CD1 3.61Å; V179-I184 HydrophobicContact CG2-CG1 3.92Å; V179-V206 HydrophobicContact CG2-CG1 4.08Å; V179-S208 CarbonylContact O-C 3.5Å; V179-S208 WeakPolarHBondContact O-CA 3.16Å; V179-G209 PolarHBondContact O-N 3.43Å; V179-T210 PolarHBondContact N-O 3.11Å; V179-Y242 HydrophobicContact CG2-CE2 4.21Å
180	S	75.5	Confident	86.6	Confident	51 Å²	51	53.9 Å²	53.9	36%	0.357	28%	0.275	S	S	.	.			trans	-120	162.2	-176.7	55.6	0	0	0	0	111	I178 S182 Q241	I178-S180 PolarHBondContact O-N 3.33Å; S180-S182 PolarHBondContact O-N 2.9Å; S180-Q241 PolarHBondContact O-OE1 2.86Å; S180-Q241 PolarHBondContact OG-NE2 2.9Å; S180-Q241 PolarHBondContact OG-OE1 2.67Å
181	E	68	Low	86.5	Confident	162 Å²	162	49.9 Å²	49.9	76%	0.757	26%	0.262	S	S	*	.	S	Bend	trans	66.6	-47.8	177.5	-50.2	173.5	172.2	0	0	115.4
182	S	79.4	Confident	85.8	Confident	11 Å²	11	52 Å²	52	8%	0.077	27%	0.274	C	S	.	.	S	Bend	trans	-150.2	156.5	176.5	66	0	0	0	0	112.9	V179 S180 N238	V179-S182 WeakPolarHBondContact CG1-O 3.46Å; S180-S182 PolarHBondContact O-N 2.9Å; S182-N238 WeakPolarHBondContact CB-O 3.41Å; S182-N238 VanDerWaalsContact OG-C 3.23Å; S182-N238 PolarHBondContact OG-N 3.36Å; S182-N238 PolarHBondContact OG-O 3.39Å
183	N	89.7	Confident	84.5	Confident	50 Å²	50	56.5 Å²	56.5	27%	0.267	29%	0.293	S	S	.	.			trans	-58.7	151	170.8	-59	-25.9	0	0	0	111.1	T205 V206 Y207 S208 I237	N183-T205 HydrophobicContact CB-CG2 3.84Å; N183-V206 WeakPolarHBondContact CA-O 3.46Å; N183-Y207 VanDerWaalsContact OD1-CA 3.3Å; N183-Y207 WeakPolarHBondContact OD1-CA 3.22Å; N183-S208 PolarHBondContact OD1-N 2.67Å; N183-S208 PolarHBondContact OD1-OG 2.91Å; N183-I237 HydrophobicContact CB-CD1 4.04Å; N183-I237 WeakPolarHBondContact O-CB 3.45Å; N183-I237 WeakPolarHBondContact O-CG1 3.45Å; N183-I237 PolarHBondContact O-N 2.76Å
184	I	91.5	Very high	82.7	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.1	175.3	60.8	169.8	0	0	0	110.6	V151 T175 V179 V186 T205 V206 A234 Q235 Y242	V151-I184 HydrophobicContact CG2-CD1 4.37Å; T175-I184 HydrophobicContact CG2-CD1 3.98Å; V179-I184 HydrophobicContact CG1-CB 4.49Å; V179-I184 HydrophobicContact CG1-CG1 4.13Å; V179-I184 HydrophobicContact CG1-CG2 3.84Å; V179-I184 HydrophobicContact CG2-CD1 3.61Å; V179-I184 HydrophobicContact CG2-CG1 3.92Å; I184-V186 HydrophobicContact CD1-CG2 3.84Å; I184-V186 HydrophobicContact CG1-CG2 4.13Å; I184-T205 CarbonylContact O-C 3.58Å; I184-T205 WeakPolarHBondContact O-CA 3.42Å; I184-V206 HydrophobicContact CD1-CB 4.14Å; I184-V206 HydrophobicContact CG1-CB 3.76Å; I184-V206 HydrophobicContact CG1-CG1 4.46Å; I184-V206 PolarHBondContact N-O 3.15Å; I184-V206 PolarHBondContact O-N 3.48Å; I184-A234 HydrophobicContact CB-CB 4.47Å; I184-A234 HydrophobicContact CD1-CB 3.93Å; I184-Q235 CarbonylContact C-O 3.59Å; I184-Q235 WeakPolarHBondContact CA-O 3.28Å; I184-Y242 HydrophobicContact CD1-CD2 4.26Å; I184-Y242 HydrophobicContact CD1-CE2 4.46Å; I184-Y242 HydrophobicContact CD1-CG 4.35Å; I184-Y242 HydrophobicContact CG2-CD2 3.64Å; I184-Y242 HydrophobicContact CG2-CG 4.04Å
185	I	92.7	Very high	81.4	Confident	66 Å²	66	60.5 Å²	60.5	34%	0.338	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.8	167	-62.8	171.4	0	0	0	107.4	P203 A234 Q235 I237	I185-P203 HydrophobicContact CG2-CB 3.89Å; I185-A234 CarbonylContact O-C 3.59Å; I185-A234 WeakPolarHBondContact O-CA 3.5Å; I185-Q235 PolarHBondContact N-O 3.02Å; I185-Q235 PolarHBondContact O-N 3.46Å; I185-I237 HydrophobicContact CD1-CD1 4.05Å; I185-I237 HydrophobicContact CD1-CG1 3.89Å; I185-I237 HydrophobicContact CG1-CD1 3.78Å; I185-I237 HydrophobicContact CG1-CG1 3.73Å
186	V	94.2	Very high	80.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.4	175.1	-174.2	0	0	0	0	109.1	V151 I173 I184 P203 V204 V206 C232 K233 A234	V151-V186 HydrophobicContact CG1-CG1 3.88Å; V151-V186 HydrophobicContact CG1-CG2 4.27Å; I173-V186 HydrophobicContact CD1-CB 3.95Å; I173-V186 HydrophobicContact CD1-CG1 3.75Å; I173-V186 HydrophobicContact CD1-CG2 4.31Å; I173-V186 HydrophobicContact CG1-CG1 4.27Å; I173-V186 HydrophobicContact CG2-CG1 4.36Å; I173-V186 HydrophobicContact CG2-CG2 4.4Å; I184-V186 HydrophobicContact CD1-CG2 3.84Å; I184-V186 HydrophobicContact CG1-CG2 4.13Å; V186-P203 WeakPolarHBondContact O-CA 3.49Å; V186-V204 PolarHBondContact N-O 2.85Å; V186-V204 PolarHBondContact O-N 3.15Å; V186-V206 HydrophobicContact CG2-CB 4.38Å; V186-V206 HydrophobicContact CG2-CG2 3.71Å; V186-C232 HydrophobicContact CG1-CB 3.99Å; V186-K233 CarbonylContact C-O 3.58Å; V186-K233 WeakPolarHBondContact CA-O 3.45Å; V186-A234 HydrophobicContact CG2-CB 4.16Å
187	T	93.9	Very high	80.1	Confident	60 Å²	60	60.3 Å²	60.3	37%	0.368	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116	174.3	-56.9	0	0	0	0	108.5	L189 K233	T187-L189 HydrophobicContact CG2-CD2 4.29Å; T187-L189 HydrophobicContact CG2-CG 4.3Å; T187-K233 PolarHBondContact N-O 2.82Å; T187-K233 PolarHBondContact O-N 3.39Å
188	C	93.9	Very high	80	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.9	175.8	-60.5	0	0	0	0	110.1	I201 V215 I230 S231 C232	C188-I201 HydrophobicContact CB-CD1 4.4Å; C188-I201 HydrophobicContact CB-CG2 3.97Å; C188-V215 HydrophobicContact CB-CG2 4.4Å; C188-I230 HydrophobicContact CB-CG2 4.13Å; C188-S231 CarbonylContact C-O 3.55Å; C188-S231 VanDerWaalsContact CA-O 3.3Å; C188-S231 WeakPolarHBondContact CA-O 3.34Å; C188-C232 HydrophobicContact CB-CB 4.12Å; C188-C232 WeakPolarHBondContact CB-SG 3.42Å; C188-C232 WeakPolarHBondContact SG-CB 3.16Å; C188-C232 CovalentContact SG-SG 2.04Å; C188-C232 PolarHBondContact SG-SG 2.82Å
189	L	90.6	Very high	80.2	Confident	108 Å²	108	59.1 Å²	59.1	57%	0.565	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.8	-175.9	-64.2	174.6	0	0	0	110.3	T187 I230 S231	T187-L189 HydrophobicContact CG2-CD2 4.29Å; T187-L189 HydrophobicContact CG2-CG 4.3Å; L189-I230 WeakPolarHBondContact O-CA 3.2Å; L189-S231 PolarHBondContact N-O 2.99Å; L189-S231 PolarHBondContact O-N 2.66Å
190	K	88.5	Confident	80.4	Confident	46 Å²	46	61 Å²	61	20%	0.2	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.2	166.6	-177.7	-174.2	178.2	-151.4	0	108.3	D192 T195 I197 V199 F228 T229	K190-D192 WeakPolarHBondContact CE-O 3.36Å; K190-D192 PolarHBondContact NZ-O 2.85Å; K190-T195 WeakPolarHBondContact CE-OG1 3.45Å; K190-T195 PolarHBondContact NZ-O 2.79Å; K190-T195 PolarHBondContact NZ-OG1 2.65Å; K190-I197 PolarHBondContact NZ-O 2.91Å; K190-V199 HydrophobicContact CD-CG2 4.41Å; K190-F228 HydrophobicContact CD-CD2 4.45Å; K190-F228 HydrophobicContact CG-CB 4.42Å; K190-F228 HydrophobicContact CG-CD2 4.17Å; K190-T229 CarbonylContact C-O 3.55Å; K190-T229 WeakPolarHBondContact CA-O 3.48Å
191	K	82.3	Confident	81.2	Confident	101 Å²	101	59.9 Å²	59.9	44%	0.439	32%	0.318	S	S	.	.	S	Bend	trans	-77.7	-34.7	177	-84.9	-179.4	167	167.4	0	112.9	E193 T229 E248 S251	K191-E193 PolarHBondContact O-N 3.46Å; K191-T229 HydrophobicContact CD-CG2 4.28Å; K191-T229 PolarHBondContact N-O 2.81Å; K191-E248 WeakPolarHBondContact CE-OE1 3.23Å; K191-E248 IonicContact NZ-OE1 3.68Å; K191-E248 PolarHBondContact NZ-OE1 2.9Å; K191-S251 PolarHBondContact NZ-OG 2.88Å
192	D	70.9	Confident	82.3	Confident	49 Å²	49	57.5 Å²	57.5	26%	0.262	31%	0.31	S	S	.	.			trans	-95.9	75.8	-167.6	-48.4	-46.8	0	0	0	111	K190 S194 T195 T229	K190-D192 WeakPolarHBondContact CE-O 3.36Å; K190-D192 PolarHBondContact NZ-O 2.85Å; D192-S194 PolarHBondContact O-N 3.47Å; D192-S194 VanDerWaalsContact O-N 3.15Å; D192-T195 HydrophobicContact CB-CG2 3.97Å; D192-T195 PolarHBondContact O-N 2.94Å; D192-T195 VanDerWaalsContact O-N 3.15Å; D192-T195 PolarHBondContact O-OG1 3.29Å; D192-T229 WeakPolarHBondContact OD2-CA 3.32Å; D192-T229 WeakPolarHBondContact OD2-CB 3.42Å; D192-T229 PolarHBondContact OD2-N 2.93Å; D192-T229 PolarHBondContact OD2-OG1 2.79Å
193	E	59.1	Low	82.8	Confident	183 Å²	183	60.8 Å²	60.8	86%	0.855	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25	175.9	-69.5	-164.4	159.6	0	0	112.9	K191 T195	K191-E193 PolarHBondContact O-N 3.46Å; E193-T195 PolarHBondContact O-N 2.84Å; E193-T195 VanDerWaalsContact O-N 3.16Å
194	S	54.7	Low	82.9	Confident	115 Å²	115	60 Å²	60	80%	0.804	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-4.2	176.1	55.8	0	0	0	0	115.6	D192	D192-S194 PolarHBondContact O-N 3.47Å; D192-S194 VanDerWaalsContact O-N 3.15Å
195	T	60.9	Low	82.8	Confident	30 Å²	30	62.7 Å²	62.7	18%	0.184	34%	0.344	C	S	.	.	S	Bend	trans	-102.7	132	-177.1	56.1	0	0	0	0	112.8	K190 D192 E193 I197 A225	K190-T195 WeakPolarHBondContact CE-OG1 3.45Å; K190-T195 PolarHBondContact NZ-O 2.79Å; K190-T195 PolarHBondContact NZ-OG1 2.65Å; D192-T195 HydrophobicContact CB-CG2 3.97Å; D192-T195 PolarHBondContact O-N 2.94Å; D192-T195 VanDerWaalsContact O-N 3.15Å; D192-T195 PolarHBondContact O-OG1 3.29Å; E193-T195 PolarHBondContact O-N 2.84Å; E193-T195 VanDerWaalsContact O-N 3.16Å; T195-I197 PolarHBondContact O-N 2.95Å; T195-A225 HydrophobicContact CG2-CB 4.1Å
196	D	67.7	Low	82.7	Confident	78 Å²	78	59.7 Å²	59.7	42%	0.417	33%	0.329	S	S	.	.	S	Bend	trans	-64	24.5	-179.1	-108.4	30	0	0	0	116.5	S223 S224 A225	D196-S223 VanDerWaalsContact CB-OG 3.3Å; D196-S223 WeakPolarHBondContact CB-OG 3.36Å; D196-S223 PolarHBondContact O-N 3.45Å; D196-S223 PolarHBondContact O-OG 3.22Å; D196-S223 WeakPolarHBondContact OD2-CB 3.25Å; D196-S223 PolarHBondContact OD2-OG 3.26Å; D196-S224 WeakPolarHBondContact CB-OG 3.31Å; D196-S224 PolarHBondContact OD2-OG 3.29Å; D196-A225 HydrophobicContact CB-CB 4.22Å
197	I	78.2	Confident	82.4	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.015	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.8	178.6	-53.9	161.7	0	0	0	107.3	K190 T195 V199 I219 S221 I222 A225 F228 L256	K190-I197 PolarHBondContact NZ-O 2.91Å; T195-I197 PolarHBondContact O-N 2.95Å; I197-V199 HydrophobicContact CB-CG2 4.48Å; I197-V199 HydrophobicContact CG2-CG2 3.69Å; I197-I219 HydrophobicContact CG2-CG2 3.96Å; I197-S221 WeakPolarHBondContact CA-O 3.34Å; I197-I222 HydrophobicContact CG1-CG2 4.46Å; I197-I222 HydrophobicContact CG2-CG1 4.33Å; I197-A225 HydrophobicContact CD1-CB 4.14Å; I197-A225 WeakPolarHBondContact CD1-O 3.47Å; I197-A225 HydrophobicContact CG1-CB 4.14Å; I197-F228 HydrophobicContact CB-CD1 4.49Å; I197-F228 HydrophobicContact CD1-CB 4.21Å; I197-F228 HydrophobicContact CD1-CD1 3.54Å; I197-F228 HydrophobicContact CD1-CE1 4.29Å; I197-F228 HydrophobicContact CD1-CG 4.25Å; I197-F228 HydrophobicContact CG2-CD1 4.19Å; I197-F228 HydrophobicContact CG2-CE1 4.13Å; I197-L256 HydrophobicContact CD1-CD1 3.64Å; I197-L256 HydrophobicContact CG1-CD1 4Å; I197-L256 HydrophobicContact CG2-CD1 4.11Å
198	L	81.4	Confident	81.9	Confident	97 Å²	97	66.9 Å²	66.9	51%	0.508	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.6	178.3	-156.9	147.5	0	0	0	109.1	Q220 S221	L198-Q220 HydrophobicContact CD2-CB 3.93Å; L198-Q220 HydrophobicContact CD2-CG 4.44Å; L198-Q220 PolarHBondContact O-N 2.92Å; L198-S221 WeakPolarHBondContact CB-OG 3.14Å; L198-S221 PolarHBondContact N-O 2.87Å; L198-S221 PolarHBondContact O-N 3.48Å
199	V	87.9	Confident	81.4	Confident	29 Å²	29	69.8 Å²	69.8	18%	0.176	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.9	-169.7	-173.5	0	0	0	0	109.6	K190 I197 I201 V217 T218 F228	K190-V199 HydrophobicContact CD-CG2 4.41Å; I197-V199 HydrophobicContact CB-CG2 4.48Å; I197-V199 HydrophobicContact CG2-CG2 3.69Å; V199-I201 HydrophobicContact CG1-CD1 4.24Å; V199-I201 HydrophobicContact CG1-CG1 3.85Å; V199-V217 HydrophobicContact CG1-CG1 3.48Å; V199-V217 VanDerWaalsContact CG1-CG1 3.48Å; V199-T218 CarbonylContact C-O 3.51Å; V199-T218 WeakPolarHBondContact CA-O 3.41Å; V199-F228 HydrophobicContact CB-CE2 4.44Å; V199-F228 HydrophobicContact CG1-CE2 4.1Å; V199-F228 HydrophobicContact CG2-CD2 4.13Å; V199-F228 HydrophobicContact CG2-CE1 4.49Å; V199-F228 HydrophobicContact CG2-CE2 3.69Å; V199-F228 HydrophobicContact CG2-CZ 3.88Å
200	S	87.4	Confident	81.1	Confident	39 Å²	39	67 Å²	67	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.8	170.5	-177.2	0	0	0	0	109.6	T218 Q220	S200-T218 PolarHBondContact N-O 3.22Å; S200-T218 WeakPolarHBondContact O-CA 3.26Å; S200-T218 VanDerWaalsContact O-CB 3.32Å; S200-T218 WeakPolarHBondContact O-CB 3.32Å; S200-T218 PolarHBondContact O-N 3.21Å; S200-Q220 VanDerWaalsContact CB-NE2 3.28Å
201	I	92	Very high	80.9	Confident	29 Å²	29	67.5 Å²	67.5	15%	0.149	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	113.6	176.6	-41.9	177.4	0	0	0	107.4	C188 V199 V215 V217 I230	C188-I201 HydrophobicContact CB-CD1 4.4Å; C188-I201 HydrophobicContact CB-CG2 3.97Å; V199-I201 HydrophobicContact CG1-CD1 4.24Å; V199-I201 HydrophobicContact CG1-CG1 3.85Å; I201-V215 HydrophobicContact CG2-CG2 3.38Å; I201-V217 HydrophobicContact CD1-CG1 4.3Å; I201-V217 HydrophobicContact CD1-CG2 4.35Å; I201-V217 HydrophobicContact CG1-CG1 4.23Å; I201-I230 HydrophobicContact CD1-CD1 4.04Å; I201-I230 HydrophobicContact CD1-CG1 4.34Å; I201-I230 HydrophobicContact CD1-CG2 3.91Å
202	N	91	Very high	81	Confident	112 Å²	112	66.2 Å²	66.2	60%	0.599	39%	0.387	S	S	*	.			trans	-77.7	143.3	177.6	-68.9	-16.1	0	0	0	109.7
203	P	90.1	Very high	81.5	Confident	79 Å²	79	64.5 Å²	64.5	51%	0.513	38%	0.381	S	S	.	.			trans	-64.2	142.4	172.9	28.3	-34.4	0	0	0	110.5	I185 V186	I185-P203 HydrophobicContact CG2-CB 3.89Å; V186-P203 WeakPolarHBondContact O-CA 3.49Å
204	V	91.2	Very high	83	Confident	34 Å²	34	59.6 Å²	59.6	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.8	-175.5	174.6	0	0	0	0	110.1	I173 V186 V215	I173-V204 HydrophobicContact CD1-CB 4.37Å; V186-V204 PolarHBondContact N-O 2.85Å; V186-V204 PolarHBondContact O-N 3.15Å; V204-V215 HydrophobicContact CG2-CB 4.28Å; V204-V215 HydrophobicContact CG2-CG2 4.13Å
205	T	91	Very high	84.6	Confident	56 Å²	56	54.1 Å²	54.1	34%	0.344	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.5	169.5	-54.9	0	0	0	0	109.8	N183 I184 Y207 I237	N183-T205 HydrophobicContact CB-CG2 3.84Å; I184-T205 CarbonylContact O-C 3.58Å; I184-T205 WeakPolarHBondContact O-CA 3.42Å; T205-Y207 HydrophobicContact CG2-CD1 4.41Å; T205-Y207 HydrophobicContact CG2-CE1 4.18Å; T205-I237 HydrophobicContact CG2-CD1 4.38Å
206	V	88.9	Confident	86	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.024	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.4	168.6	179.1	0	0	0	0	108	I173 V179 N183 I184 V186 T210	I173-V206 HydrophobicContact CD1-CG2 4.36Å; V179-V206 HydrophobicContact CG2-CG1 4.08Å; N183-V206 WeakPolarHBondContact CA-O 3.46Å; I184-V206 HydrophobicContact CD1-CB 4.14Å; I184-V206 HydrophobicContact CG1-CB 3.76Å; I184-V206 HydrophobicContact CG1-CG1 4.46Å; I184-V206 PolarHBondContact N-O 3.15Å; I184-V206 PolarHBondContact O-N 3.48Å; V186-V206 HydrophobicContact CG2-CB 4.38Å; V186-V206 HydrophobicContact CG2-CG2 3.71Å; V206-T210 VanDerWaalsContact CG1-OG1 3.25Å; V206-T210 WeakPolarHBondContact CG1-OG1 3.29Å
207	Y	88.4	Confident	87	Confident	149 Å²	149	51.6 Å²	51.6	58%	0.584	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-85.6	148.2	-167.5	-63.8	-79.9	0	0	0	112.7	N183 T205 T210	N183-Y207 VanDerWaalsContact OD1-CA 3.3Å; N183-Y207 WeakPolarHBondContact OD1-CA 3.22Å; T205-Y207 HydrophobicContact CG2-CD1 4.41Å; T205-Y207 HydrophobicContact CG2-CE1 4.18Å; Y207-T210 WeakPolarHBondContact O-CB 3.26Å; Y207-T210 PolarHBondContact O-N 2.88Å; Y207-T210 PolarHBondContact O-OG1 2.77Å
208	S	83.3	Confident	87.5	Confident	62 Å²	62	52.9 Å²	52.9	43%	0.434	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	138.6	173	55.9	0	0	0	0	111.7	V179 N183	V179-S208 CarbonylContact O-C 3.5Å; V179-S208 WeakPolarHBondContact O-CA 3.16Å; N183-S208 PolarHBondContact OD1-N 2.67Å; N183-S208 PolarHBondContact OD1-OG 2.91Å
209	G	83.2	Confident	87.7	Confident	62 Å²	62	48.2 Å²	48.2	64%	0.639	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-7.9	-173.3	0	0	0	0	0	114.5	V179	V179-G209 PolarHBondContact O-N 3.43Å
210	T	85	Confident	87.6	Confident	51 Å²	51	51 Å²	51	31%	0.313	31%	0.31	S	S	.	.			trans	-104.7	157.8	177.3	71.3	0	0	0	0	112.3	V179 V206 Y207	V179-T210 PolarHBondContact N-O 3.11Å; V206-T210 VanDerWaalsContact CG1-OG1 3.25Å; V206-T210 WeakPolarHBondContact CG1-OG1 3.29Å; Y207-T210 WeakPolarHBondContact O-CB 3.26Å; Y207-T210 PolarHBondContact O-N 2.88Å; Y207-T210 PolarHBondContact O-OG1 2.77Å
211	S	83.9	Confident	87.2	Confident	55 Å²	55	51.5 Å²	51.5	39%	0.385	31%	0.313	S	S	.	.	S	Bend	trans	-120.1	7.3	172.1	57	0	0	0	0	113.5	T175	T175-S211 PolarHBondContact N-O 3.13Å; T175-S211 VanDerWaalsContact OG1-C 3.31Å; T175-S211 VanDerWaalsContact OG1-CA 3.22Å; T175-S211 WeakPolarHBondContact OG1-CA 3.19Å; T175-S211 PolarHBondContact OG1-O 3.48Å; T175-S211 VanDerWaalsContact OG1-O 3.07Å
212	T	84.1	Confident	86.2	Confident	74 Å²	74	51.9 Å²	51.9	45%	0.454	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.2	-176.6	61.8	0	0	0	0	110.9	I173 L174	I173-T212 CarbonylContact O-C 3.59Å; I173-T212 VanDerWaalsContact O-CA 3.26Å; I173-T212 WeakPolarHBondContact O-CA 3.36Å; L174-T212 HydrophobicContact CD2-CG2 3.82Å
213	G	82.8	Confident	84.9	Confident	13 Å²	13	50.7 Å²	50.7	13%	0.134	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	176.9	172.9	0	0	0	0	0	111	I173	I173-G213 PolarHBondContact N-O 2.88Å; I173-G213 PolarHBondContact O-N 3.29Å
214	V	89.1	Confident	83.4	Confident	80 Å²	80	51 Å²	51	49%	0.485	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.4	176.2	-179	0	0	0	0	109.1	R170 M171	R170-V214 HydrophobicContact CB-CG1 4.14Å; R170-V214 HydrophobicContact CG-CG1 4.36Å; M171-V214 WeakPolarHBondContact O-CA 3.41Å
215	V	90	Very high	81.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.7	174	64.6	0	0	0	0	110.5	I153 R170 M171 I173 C188 I201 V204	I153-V215 HydrophobicContact CD1-CG1 3.83Å; I153-V215 HydrophobicContact CG1-CG1 4.44Å; R170-V215 WeakPolarHBondContact CA-O 3.47Å; M171-V215 HydrophobicContact CB-CG1 3.93Å; M171-V215 PolarHBondContact N-O 3.42Å; M171-V215 PolarHBondContact O-N 3.07Å; I173-V215 HydrophobicContact CD1-CB 3.88Å; I173-V215 HydrophobicContact CD1-CG1 4.33Å; I173-V215 HydrophobicContact CG1-CB 4.15Å; I173-V215 HydrophobicContact CG1-CG1 4.04Å; C188-V215 HydrophobicContact CB-CG2 4.4Å; I201-V215 HydrophobicContact CG2-CG2 3.38Å; V204-V215 HydrophobicContact CG2-CB 4.28Å; V204-V215 HydrophobicContact CG2-CG2 4.13Å
216	S	89	Confident	80.8	Confident	55 Å²	55	54.1 Å²	54.1	39%	0.385	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.1	175.5	-68.3	0	0	0	0	109.7
217	V	89.7	Confident	80.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114	176.8	-177.8	0	0	0	0	107.7	N168 Q169 M171 V199 I201 I219 F228 I230 I254	N168-V217 CarbonylContact C-O 3.53Å; N168-V217 WeakPolarHBondContact CA-O 3.29Å; Q169-V217 HydrophobicContact CB-CB 4.45Å; Q169-V217 PolarHBondContact N-O 3.08Å; Q169-V217 PolarHBondContact O-N 2.68Å; M171-V217 HydrophobicContact CG-CG2 4.16Å; M171-V217 HydrophobicContact SD-CG2 4.1Å; V199-V217 HydrophobicContact CG1-CG1 3.48Å; V199-V217 VanDerWaalsContact CG1-CG1 3.48Å; I201-V217 HydrophobicContact CD1-CG1 4.3Å; I201-V217 HydrophobicContact CD1-CG2 4.35Å; I201-V217 HydrophobicContact CG1-CG1 4.23Å; V217-I219 HydrophobicContact CG1-CD1 4.07Å; V217-F228 HydrophobicContact CG1-CE2 4.29Å; V217-F228 HydrophobicContact CG1-CZ 4.32Å; V217-I230 HydrophobicContact CB-CD1 4.24Å; V217-I230 HydrophobicContact CG1-CD1 3.64Å; V217-I230 HydrophobicContact CG2-CD1 3.55Å; V217-I254 HydrophobicContact CG1-CD1 4.43Å
218	T	87.8	Confident	80.4	Confident	30 Å²	30	49.2 Å²	49.2	18%	0.184	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.9	179.2	-50.7	0	0	0	0	109.1	P166 N168 V199 S200 Q220	P166-T218 HydrophobicContact CB-CG2 4.36Å; N168-T218 WeakPolarHBondContact OD1-CG2 3.36Å; N168-T218 PolarHBondContact OD1-OG1 3.46Å; V199-T218 CarbonylContact C-O 3.51Å; V199-T218 WeakPolarHBondContact CA-O 3.41Å; S200-T218 PolarHBondContact N-O 3.22Å; S200-T218 WeakPolarHBondContact O-CA 3.26Å; S200-T218 VanDerWaalsContact O-CB 3.32Å; S200-T218 WeakPolarHBondContact O-CB 3.32Å; S200-T218 PolarHBondContact O-N 3.21Å; T218-Q220 HydrophobicContact CG2-CG 3.94Å; T218-Q220 PolarHBondContact O-N 3.28Å
219	I	86.6	Confident	80.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.4	172.7	-60.4	75.3	0	0	0	106.8	T165 P166 F167 Q169 I197 V217 I222 F228	T165-I219 HydrophobicContact CG2-CG2 4.01Å; P166-I219 CarbonylContact C-O 3.47Å; P166-I219 WeakPolarHBondContact CA-O 3.34Å; F167-I219 HydrophobicContact CD1-CB 4.33Å; F167-I219 HydrophobicContact CD2-CD1 4.16Å; F167-I219 HydrophobicContact CE1-CB 4.01Å; F167-I219 HydrophobicContact CE1-CG2 4.04Å; F167-I219 HydrophobicContact CE2-CB 4.24Å; F167-I219 HydrophobicContact CE2-CD1 3.76Å; F167-I219 HydrophobicContact CE2-CG1 4.09Å; F167-I219 HydrophobicContact CZ-CB 3.96Å; F167-I219 HydrophobicContact CZ-CD1 4.23Å; F167-I219 HydrophobicContact CZ-CG1 4.04Å; F167-I219 HydrophobicContact CZ-CG2 4.19Å; F167-I219 PolarHBondContact N-O 2.75Å; F167-I219 PolarHBondContact O-N 3.33Å; Q169-I219 HydrophobicContact CB-CD1 4.26Å; I197-I219 HydrophobicContact CG2-CG2 3.96Å; V217-I219 HydrophobicContact CG1-CD1 4.07Å; I219-I222 HydrophobicContact CG2-CD1 3.99Å; I219-I222 HydrophobicContact CG2-CG1 3.76Å; I219-F228 HydrophobicContact CG1-CE1 4.5Å; I219-F228 HydrophobicContact CG1-CZ 4.16Å
220	Q	84.4	Confident	81	Confident	88 Å²	88	44.7 Å²	44.7	41%	0.411	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-32.8	-173.1	-66.5	-171	-11.8	0	0	113.6	T165 L198 S200 T218	T165-Q220 VanDerWaalsContact CB-O 3.3Å; T165-Q220 WeakPolarHBondContact CB-O 3.28Å; T165-Q220 PolarHBondContact OG1-O 3.47Å; L198-Q220 HydrophobicContact CD2-CB 3.93Å; L198-Q220 HydrophobicContact CD2-CG 4.44Å; L198-Q220 PolarHBondContact O-N 2.92Å; S200-Q220 VanDerWaalsContact CB-NE2 3.28Å; T218-Q220 HydrophobicContact CG2-CG 3.94Å; T218-Q220 PolarHBondContact O-N 3.28Å
221	S	78.9	Confident	81.3	Confident	48 Å²	48	42.6 Å²	42.6	34%	0.336	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160	172.1	68.1	0	0	0	0	111.7	I197 L198	I197-S221 WeakPolarHBondContact CA-O 3.34Å; L198-S221 WeakPolarHBondContact CB-OG 3.14Å; L198-S221 PolarHBondContact N-O 2.87Å; L198-S221 PolarHBondContact O-N 3.48Å
222	I	71.8	Confident	81.8	Confident	38 Å²	38	40 Å²	40	20%	0.195	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	102.6	-177.6	-54.7	160.4	0	0	0	107.5	K162 T165 F167 I197 I219 L256	K162-I222 HydrophobicContact CG-CD1 4.09Å; T165-I222 HydrophobicContact CG2-CD1 3.85Å; T165-I222 HydrophobicContact CG2-CG1 4.12Å; F167-I222 HydrophobicContact CE1-CD1 4.08Å; I197-I222 HydrophobicContact CG1-CG2 4.46Å; I197-I222 HydrophobicContact CG2-CG1 4.33Å; I219-I222 HydrophobicContact CG2-CD1 3.99Å; I219-I222 HydrophobicContact CG2-CG1 3.76Å; I222-L256 HydrophobicContact CD1-CD1 3.74Å; I222-L256 HydrophobicContact CD1-CD2 4.34Å; I222-L256 HydrophobicContact CG1-CD1 3.75Å; I222-L256 HydrophobicContact CG2-CD1 3.97Å
223	S	63.6	Low	82.3	Confident	86 Å²	86	39.8 Å²	39.8	60%	0.601	24%	0.239	S	C	*	.	S	Bend	trans	-101.1	-26.3	-178.1	48.6	0	0	0	0	115.5	D196	D196-S223 VanDerWaalsContact CB-OG 3.3Å; D196-S223 WeakPolarHBondContact CB-OG 3.36Å; D196-S223 PolarHBondContact O-N 3.45Å; D196-S223 PolarHBondContact O-OG 3.22Å; D196-S223 WeakPolarHBondContact OD2-CB 3.25Å; D196-S223 PolarHBondContact OD2-OG 3.26Å
224	S	58.8	Low	82.7	Confident	85 Å²	85	39.2 Å²	39.2	59%	0.594	23%	0.233	S	C	*	.	S	Bend	trans	-158.3	-44	174.6	61.8	0	0	0	0	115.7	D196	D196-S224 WeakPolarHBondContact CB-OG 3.31Å; D196-S224 PolarHBondContact OD2-OG 3.29Å
225	A	58.8	Low	82.8	Confident	23 Å²	23	39 Å²	39	19%	0.19	23%	0.227	C	C	.	.			trans	-66.3	142.4	-174.3	0	0	0	0	0	113.1	T195 D196 I197	T195-A225 HydrophobicContact CG2-CB 4.1Å; D196-A225 HydrophobicContact CB-CB 4.22Å; I197-A225 HydrophobicContact CD1-CB 4.14Å; I197-A225 WeakPolarHBondContact CD1-O 3.47Å; I197-A225 HydrophobicContact CG1-CB 4.14Å
226	Q	69.8	Low	82.8	Confident	133 Å²	133	39.2 Å²	39.2	62%	0.621	23%	0.228	S	C	*	.	S	Bend	trans	-99.2	-5.1	-179.6	-69.7	-173.6	-4.2	0	0	114.2	S255 L256	Q226-S255 CarbonylContact O-C 3.52Å; Q226-S255 VanDerWaalsContact O-CA 3.31Å; Q226-S255 WeakPolarHBondContact O-CA 3.48Å; Q226-L256 PolarHBondContact O-N 3.48Å
227	S	80.3	Confident	82.7	Confident	51 Å²	51	40.4 Å²	40.4	36%	0.357	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.2	175.4	60.8	0	0	0	0	113.1	I254	S227-I254 CarbonylContact C-O 3.6Å; S227-I254 WeakPolarHBondContact CA-O 3.34Å; S227-I254 VanDerWaalsContact CB-O 3.31Å; S227-I254 WeakPolarHBondContact CB-O 3.06Å
228	F	87.1	Confident	82.2	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.1	175.1	64.9	-75.1	0	0	0	111.4	K190 I197 V199 V217 I219 I230 I254	K190-F228 HydrophobicContact CD-CD2 4.45Å; K190-F228 HydrophobicContact CG-CB 4.42Å; K190-F228 HydrophobicContact CG-CD2 4.17Å; I197-F228 HydrophobicContact CB-CD1 4.49Å; I197-F228 HydrophobicContact CD1-CB 4.21Å; I197-F228 HydrophobicContact CD1-CD1 3.54Å; I197-F228 HydrophobicContact CD1-CE1 4.29Å; I197-F228 HydrophobicContact CD1-CG 4.25Å; I197-F228 HydrophobicContact CG2-CD1 4.19Å; I197-F228 HydrophobicContact CG2-CE1 4.13Å; V199-F228 HydrophobicContact CB-CE2 4.44Å; V199-F228 HydrophobicContact CG1-CE2 4.1Å; V199-F228 HydrophobicContact CG2-CD2 4.13Å; V199-F228 HydrophobicContact CG2-CE1 4.49Å; V199-F228 HydrophobicContact CG2-CE2 3.69Å; V199-F228 HydrophobicContact CG2-CZ 3.88Å; V217-F228 HydrophobicContact CG1-CE2 4.29Å; V217-F228 HydrophobicContact CG1-CZ 4.32Å; I219-F228 HydrophobicContact CG1-CE1 4.5Å; I219-F228 HydrophobicContact CG1-CZ 4.16Å; F228-I230 HydrophobicContact CD2-CD1 4.44Å; F228-I230 HydrophobicContact CD2-CG1 3.93Å; F228-I230 HydrophobicContact CE2-CD1 3.73Å; F228-I230 HydrophobicContact CE2-CG1 3.72Å; F228-I254 HydrophobicContact CD1-CB 4.08Å; F228-I254 HydrophobicContact CD1-CG2 4.31Å; F228-I254 HydrophobicContact CE1-CB 3.69Å; F228-I254 HydrophobicContact CE1-CD1 4.45Å; F228-I254 HydrophobicContact CE1-CG2 3.59Å; F228-I254 HydrophobicContact CE2-CB 4.38Å; F228-I254 HydrophobicContact CE2-CD1 4.14Å; F228-I254 HydrophobicContact CZ-CB 3.88Å; F228-I254 HydrophobicContact CZ-CD1 3.79Å; F228-I254 HydrophobicContact CZ-CG1 4.28Å; F228-I254 HydrophobicContact CZ-CG2 3.95Å; F228-I254 PolarHBondContact N-O 2.98Å; F228-I254 PolarHBondContact O-N 2.81Å
229	T	88.5	Confident	81.6	Confident	29 Å²	29	47.3 Å²	47.3	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.5	179.5	-47	0	0	0	0	110.9	K190 K191 D192 S252 V253	K190-T229 CarbonylContact C-O 3.55Å; K190-T229 WeakPolarHBondContact CA-O 3.48Å; K191-T229 HydrophobicContact CD-CG2 4.28Å; K191-T229 PolarHBondContact N-O 2.81Å; D192-T229 WeakPolarHBondContact OD2-CA 3.32Å; D192-T229 WeakPolarHBondContact OD2-CB 3.42Å; D192-T229 PolarHBondContact OD2-N 2.93Å; D192-T229 PolarHBondContact OD2-OG1 2.79Å; T229-S252 CarbonylContact C-O 3.58Å; T229-S252 WeakPolarHBondContact CA-O 3.3Å; T229-V253 HydrophobicContact CG2-CG2 4.47Å
230	I	91.5	Very high	81.2	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.5	170.6	-54.4	-179.9	0	0	0	109.3	I153 M171 C188 L189 I201 V217 F228 S251 S252 I254	I153-I230 HydrophobicContact CD1-CB 4.37Å; I153-I230 HydrophobicContact CD1-CG2 3.81Å; M171-I230 HydrophobicContact SD-CD1 4.09Å; C188-I230 HydrophobicContact CB-CG2 4.13Å; L189-I230 WeakPolarHBondContact O-CA 3.2Å; I201-I230 HydrophobicContact CD1-CD1 4.04Å; I201-I230 HydrophobicContact CD1-CG1 4.34Å; I201-I230 HydrophobicContact CD1-CG2 3.91Å; V217-I230 HydrophobicContact CB-CD1 4.24Å; V217-I230 HydrophobicContact CG1-CD1 3.64Å; V217-I230 HydrophobicContact CG2-CD1 3.55Å; F228-I230 HydrophobicContact CD2-CD1 4.44Å; F228-I230 HydrophobicContact CD2-CG1 3.93Å; F228-I230 HydrophobicContact CE2-CD1 3.73Å; F228-I230 HydrophobicContact CE2-CG1 3.72Å; I230-S251 CarbonylContact O-C 3.6Å; I230-S251 VanDerWaalsContact O-CA 3.26Å; I230-S251 WeakPolarHBondContact O-CA 3.22Å; I230-S251 VanDerWaalsContact O-CB 3.27Å; I230-S251 WeakPolarHBondContact O-CB 3.42Å; I230-S252 PolarHBondContact N-O 3.32Å; I230-S252 PolarHBondContact O-N 3.14Å; I230-I254 HydrophobicContact CD1-CD1 3.54Å; I230-I254 HydrophobicContact CD1-CG1 4.21Å; I230-I254 HydrophobicContact CG1-CD1 4.43Å
231	S	91.4	Very high	81.1	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.4	169.2	-154.8	0	0	0	0	111	C188 L189 E248 S251	C188-S231 CarbonylContact C-O 3.55Å; C188-S231 VanDerWaalsContact CA-O 3.3Å; C188-S231 WeakPolarHBondContact CA-O 3.34Å; L189-S231 PolarHBondContact N-O 2.99Å; L189-S231 PolarHBondContact O-N 2.66Å; S231-E248 WeakPolarHBondContact OG-CG 3.2Å; S231-E248 PolarHBondContact OG-OE1 3.5Å; S231-E248 VanDerWaalsContact OG-OE1 3.07Å; S231-S251 WeakPolarHBondContact CB-OG 3.19Å; S231-S251 PolarHBondContact OG-OG 3.5Å
232	C	94.3	Very high	81.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.5	-176.9	-61.2	0	0	0	0	111.4	V151 V186 C188 E248	V151-C232 HydrophobicContact CG1-CB 4.44Å; V186-C232 HydrophobicContact CG1-CB 3.99Å; C188-C232 HydrophobicContact CB-CB 4.12Å; C188-C232 WeakPolarHBondContact CB-SG 3.42Å; C188-C232 WeakPolarHBondContact SG-CB 3.16Å; C188-C232 CovalentContact SG-SG 2.04Å; C188-C232 PolarHBondContact SG-SG 2.82Å; C232-E248 WeakPolarHBondContact O-CA 3.26Å
233	K	93.5	Very high	82.1	Confident	71 Å²	71	44.9 Å²	44.9	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.7	175.7	-63.1	-179.6	-178.4	-142.4	0	108.5	V186 T187 S244 E248	V186-K233 CarbonylContact C-O 3.58Å; V186-K233 WeakPolarHBondContact CA-O 3.45Å; T187-K233 PolarHBondContact N-O 2.82Å; T187-K233 PolarHBondContact O-N 3.39Å; K233-S244 WeakPolarHBondContact CD-O 3.34Å; K233-E248 VanDerWaalsContact CE-CD 3.5Å; K233-E248 WeakPolarHBondContact CE-OE2 3.47Å; K233-E248 HydrophobicContact CG-CB 4.09Å; K233-E248 HydrophobicContact CG-CG 4.11Å; K233-E248 IonicContact NZ-OE2 2.66Å; K233-E248 PolarHBondContact NZ-OE2 2.92Å
234	A	92	Very high	83.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.1	-179.2	0	0	0	0	0	112.6	V151 I184 I185 V186 Y242 T243 S244 S247	V151-A234 HydrophobicContact CB-CB 4.23Å; V151-A234 HydrophobicContact CG2-CB 3.47Å; V151-A234 VanDerWaalsContact CG2-CB 3.47Å; I184-A234 HydrophobicContact CB-CB 4.47Å; I184-A234 HydrophobicContact CD1-CB 3.93Å; I185-A234 CarbonylContact O-C 3.59Å; I185-A234 WeakPolarHBondContact O-CA 3.5Å; V186-A234 HydrophobicContact CG2-CB 4.16Å; A234-Y242 HydrophobicContact CB-CD1 4.06Å; A234-Y242 HydrophobicContact CB-CG 4.2Å; A234-T243 CarbonylContact O-C 3.55Å; A234-S244 WeakPolarHBondContact O-CA 3.4Å; A234-S244 PolarHBondContact O-N 3.09Å; A234-S244 VanDerWaalsContact O-N 3.12Å; A234-S247 PolarHBondContact N-OG 2.99Å; A234-S247 PolarHBondContact O-OG 2.96Å
235	Q	91.7	Very high	84.1	Confident	75 Å²	75	43.7 Å²	43.7	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	118.9	174.4	-177.9	53.9	55	0	0	109.2	I184 I185 I237	I184-Q235 CarbonylContact C-O 3.59Å; I184-Q235 WeakPolarHBondContact CA-O 3.28Å; I185-Q235 PolarHBondContact N-O 3.02Å; I185-Q235 PolarHBondContact O-N 3.46Å; Q235-I237 PolarHBondContact O-N 2.98Å
236	S	89.5	Confident	85.2	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	132.7	168.5	-67.8	0	0	0	0	110	G239 Y242	S236-G239 WeakPolarHBondContact CB-O 3.23Å; S236-Y242 PolarHBondContact N-O 3.09Å; S236-Y242 PolarHBondContact OG-N 3.19Å; S236-Y242 VanDerWaalsContact OG-N 3.11Å; S236-Y242 PolarHBondContact OG-O 2.8Å
237	I	85.7	Confident	86.2	Confident	81 Å²	81	38.5 Å²	38.5	42%	0.415	23%	0.233	S	C	.	.	S	Bend	trans	-71.1	-46.1	-179.9	-63.9	-179.9	0	0	0	110.2	N183 I185 T205 Q235	N183-I237 HydrophobicContact CB-CD1 4.04Å; N183-I237 WeakPolarHBondContact O-CB 3.45Å; N183-I237 WeakPolarHBondContact O-CG1 3.45Å; N183-I237 PolarHBondContact O-N 2.76Å; I185-I237 HydrophobicContact CD1-CD1 4.05Å; I185-I237 HydrophobicContact CD1-CG1 3.89Å; I185-I237 HydrophobicContact CG1-CD1 3.78Å; I185-I237 HydrophobicContact CG1-CG1 3.73Å; T205-I237 HydrophobicContact CG2-CD1 4.38Å; Q235-I237 PolarHBondContact O-N 2.98Å
238	N	80.8	Confident	86.6	Confident	138 Å²	138	39.1 Å²	39.1	74%	0.738	23%	0.23	S	C	*	.	S	Bend	trans	-132.3	62.6	-178.8	-72	-30.3	0	0	0	109.8	S182	S182-N238 WeakPolarHBondContact CB-O 3.41Å; S182-N238 VanDerWaalsContact OG-C 3.23Å; S182-N238 PolarHBondContact OG-N 3.36Å; S182-N238 PolarHBondContact OG-O 3.39Å
239	G	75.3	Confident	86.7	Confident	37 Å²	37	40 Å²	40	38%	0.381	24%	0.239	S	C	.	.	S	Bend	trans	175.2	-174.4	-179.1	0	0	0	0	0	112.9	S236	S236-G239 WeakPolarHBondContact CB-O 3.23Å
240	N	77.9	Confident	86.7	Confident	76 Å²	76	40.4 Å²	40.4	41%	0.406	24%	0.243	S	C	.	.	S	Bend	trans	-126.3	7.6	179.5	70.4	18.7	0	0	0	114.6	Q62	Q62-N240 PolarHBondContact NE2-ND2 2.87Å; Q62-N240 PolarHBondContact NE2-OD1 2.88Å
241	Q	81.5	Confident	86.6	Confident	14 Å²	14	42 Å²	42	7%	0.065	25%	0.254	C	S	.	.	S	Bend	trans	-53.1	-62	178.1	-173.2	-171.8	22.6	0	0	110.5	P149 E177 I178 S180	P149-Q241 WeakPolarHBondContact CD-O 3.17Å; P149-Q241 HydrophobicContact CG-CG 4.14Å; P149-Q241 WeakPolarHBondContact CG-O 3.48Å; E177-Q241 WeakPolarHBondContact OE1-CG 3.25Å; E177-Q241 PolarHBondContact OE1-NE2 2.96Å; I178-Q241 PolarHBondContact O-NE2 3.31Å; S180-Q241 PolarHBondContact O-OE1 2.86Å; S180-Q241 PolarHBondContact OG-NE2 2.9Å; S180-Q241 PolarHBondContact OG-OE1 2.67Å
242	Y	86.8	Confident	86.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-102.4	123.8	175.4	-68.4	-90.4	0	0	0	109.8	P149 V151 T175 E177 V179 I184 A234 S236	P149-Y242 HydrophobicContact CB-CD1 4.18Å; P149-Y242 HydrophobicContact CB-CE1 3.62Å; P149-Y242 HydrophobicContact CB-CE2 4.43Å; P149-Y242 HydrophobicContact CG-CD1 4.11Å; P149-Y242 HydrophobicContact CG-CE1 4.04Å; P149-Y242 HydrophobicContact CG-CE2 4.49Å; P149-Y242 HydrophobicContact CG-CG 4.37Å; V151-Y242 HydrophobicContact CG2-CD1 3.66Å; V151-Y242 HydrophobicContact CG2-CE1 3.58Å; T175-Y242 WeakPolarHBondContact CB-OH 3.09Å; E177-Y242 VanDerWaalsContact CG-OH 3.28Å; E177-Y242 WeakPolarHBondContact CG-OH 3.48Å; E177-Y242 PolarHBondContact N-OH 2.91Å; E177-Y242 PolarHBondContact O-OH 2.87Å; V179-Y242 HydrophobicContact CG2-CE2 4.21Å; I184-Y242 HydrophobicContact CD1-CD2 4.26Å; I184-Y242 HydrophobicContact CD1-CE2 4.46Å; I184-Y242 HydrophobicContact CD1-CG 4.35Å; I184-Y242 HydrophobicContact CG2-CD2 3.64Å; I184-Y242 HydrophobicContact CG2-CG 4.04Å; A234-Y242 HydrophobicContact CB-CD1 4.06Å; A234-Y242 HydrophobicContact CB-CG 4.2Å; S236-Y242 PolarHBondContact N-O 3.09Å; S236-Y242 PolarHBondContact OG-N 3.19Å; S236-Y242 VanDerWaalsContact OG-N 3.11Å; S236-Y242 PolarHBondContact OG-O 2.8Å
243	T	84.9	Confident	86.2	Confident	32 Å²	32	44.2 Å²	44.2	20%	0.196	27%	0.267	C	S	.	.			trans	-119.2	142.8	173.5	75.3	0	0	0	0	110.5	N61 A234 A245 T246 S247	N61-T243 PolarHBondContact ND2-OG1 3.03Å; A234-T243 CarbonylContact O-C 3.55Å; T243-A245 PolarHBondContact O-N 3.48Å; T243-A245 VanDerWaalsContact O-N 3.13Å; T243-T246 PolarHBondContact O-N 2.89Å; T243-T246 PolarHBondContact OG1-OG1 3.27Å; T243-S247 VanDerWaalsContact O-CB 3.22Å; T243-S247 WeakPolarHBondContact O-CB 3.34Å; T243-S247 PolarHBondContact O-N 3.07Å; T243-S247 VanDerWaalsContact O-N 3.08Å; T243-S247 PolarHBondContact O-OG 2.66Å
244	S	85	Confident	85.8	Confident	63 Å²	63	40.8 Å²	40.8	44%	0.441	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	-175.6	61	0	0	0	0	113.8	K233 A234	K233-S244 WeakPolarHBondContact CD-O 3.34Å; A234-S244 WeakPolarHBondContact O-CA 3.4Å; A234-S244 PolarHBondContact O-N 3.09Å; A234-S244 VanDerWaalsContact O-N 3.12Å
245	A	79.3	Confident	85.1	Confident	83 Å²	83	42.6 Å²	42.6	69%	0.686	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.5	178.9	0	0	0	0	0	113.7	T243	T243-A245 PolarHBondContact O-N 3.48Å; T243-A245 VanDerWaalsContact O-N 3.13Å
246	T	82.3	Confident	84.2	Confident	47 Å²	47	39.4 Å²	39.4	29%	0.288	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-12.2	-167.2	72.3	0	0	0	0	114.8	N61 P148 T243 E248	N61-T246 PolarHBondContact ND2-OG1 3.21Å; N61-T246 WeakPolarHBondContact OD1-CB 3.31Å; N61-T246 WeakPolarHBondContact OD1-CG2 3.32Å; N61-T246 PolarHBondContact OD1-OG1 2.97Å; N61-T246 VanDerWaalsContact OD1-OG1 3.07Å; P148-T246 WeakPolarHBondContact CB-OG1 3.38Å; T243-T246 PolarHBondContact O-N 2.89Å; T243-T246 PolarHBondContact OG1-OG1 3.27Å; T246-E248 PolarHBondContact O-N 3.12Å
247	S	89.8	Confident	83	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.256	C	S	.	.			trans	-81.6	12.5	-173.1	55.8	0	0	0	0	114.3	P149 V150 V151 A234 T243 G249	P149-S247 WeakPolarHBondContact O-CA 3.16Å; V150-S247 CarbonylContact C-O 3.48Å; V150-S247 WeakPolarHBondContact CA-O 3.5Å; V151-S247 PolarHBondContact N-O 3.21Å; A234-S247 PolarHBondContact N-OG 2.99Å; A234-S247 PolarHBondContact O-OG 2.96Å; T243-S247 VanDerWaalsContact O-CB 3.22Å; T243-S247 WeakPolarHBondContact O-CB 3.34Å; T243-S247 PolarHBondContact O-N 3.07Å; T243-S247 VanDerWaalsContact O-N 3.08Å; T243-S247 PolarHBondContact O-OG 2.66Å; S247-G249 PolarHBondContact O-N 3.29Å
248	E	90.4	Very high	81.7	Confident	65 Å²	65	37.5 Å²	37.5	30%	0.304	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-74.7	113.1	-179.6	-159.7	-173.9	143	0	0	111	K191 S231 C232 K233 T246	K191-E248 WeakPolarHBondContact CE-OE1 3.23Å; K191-E248 IonicContact NZ-OE1 3.68Å; K191-E248 PolarHBondContact NZ-OE1 2.9Å; S231-E248 WeakPolarHBondContact OG-CG 3.2Å; S231-E248 PolarHBondContact OG-OE1 3.5Å; S231-E248 VanDerWaalsContact OG-OE1 3.07Å; C232-E248 WeakPolarHBondContact O-CA 3.26Å; K233-E248 VanDerWaalsContact CE-CD 3.5Å; K233-E248 WeakPolarHBondContact CE-OE2 3.47Å; K233-E248 HydrophobicContact CG-CB 4.09Å; K233-E248 HydrophobicContact CG-CG 4.11Å; K233-E248 IonicContact NZ-OE2 2.66Å; K233-E248 PolarHBondContact NZ-OE2 2.92Å; T246-E248 PolarHBondContact O-N 3.12Å
249	G	89.1	Confident	80.9	Confident	17 Å²	17	31.5 Å²	31.5	18%	0.175	21%	0.212	C	C	.	.			trans	-93.5	-153.8	-178.6	0	0	0	0	0	114.7	V151 S247 S251	V151-G249 WeakPolarHBondContact O-CA 3.38Å; V151-G249 PolarHBondContact O-N 2.84Å; S247-G249 PolarHBondContact O-N 3.29Å; G249-S251 PolarHBondContact O-N 2.8Å
250	S	88.3	Confident	80.5	Confident	39 Å²	39	31.7 Å²	31.7	27%	0.273	20%	0.203	S	C	.	.			trans	-63.3	125.8	171.2	-62.4	0	0	0	0	109.8	S152 I153 R156	S152-S250 PolarHBondContact OG-N 2.76Å; I153-S250 PolarHBondContact N-O 3.2Å; I153-S250 VanDerWaalsContact N-O 3.13Å; R156-S250 PolarHBondContact NH2-OG 3.49Å
251	S	90	Very high	80.5	Confident	32 Å²	32	28.3 Å²	28.3	22%	0.224	19%	0.185	C	C	.	.			trans	-76.9	160.2	171	-51.1	0	0	0	0	110.3	K191 I230 S231 G249	K191-S251 PolarHBondContact NZ-OG 2.88Å; I230-S251 CarbonylContact O-C 3.6Å; I230-S251 VanDerWaalsContact O-CA 3.26Å; I230-S251 WeakPolarHBondContact O-CA 3.22Å; I230-S251 VanDerWaalsContact O-CB 3.27Å; I230-S251 WeakPolarHBondContact O-CB 3.42Å; S231-S251 WeakPolarHBondContact CB-OG 3.19Å; S231-S251 PolarHBondContact OG-OG 3.5Å; G249-S251 PolarHBondContact O-N 2.8Å
252	S	89.4	Confident	80.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.5	173.5	-179.7	0	0	0	0	111.4	P155 R156 M171 T229 I230	P155-S252 WeakPolarHBondContact O-CB 3.45Å; P155-S252 PolarHBondContact O-OG 2.77Å; R156-S252 VanDerWaalsContact O-CA 3.31Å; R156-S252 WeakPolarHBondContact O-CA 3.39Å; R156-S252 PolarHBondContact O-OG 3.24Å; M171-S252 WeakPolarHBondContact CE-OG 3.4Å; T229-S252 CarbonylContact C-O 3.58Å; T229-S252 WeakPolarHBondContact CA-O 3.3Å; I230-S252 PolarHBondContact N-O 3.32Å; I230-S252 PolarHBondContact O-N 3.14Å
253	V	86.7	Confident	80	Confident	53 Å²	53	29.9 Å²	29.9	32%	0.321	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116	172.5	-178.1	0	0	0	0	109	R156 T157 V158 T229	R156-V253 PolarHBondContact O-N 3.29Å; T157-V253 CarbonylContact C-O 3.47Å; T157-V253 WeakPolarHBondContact CA-O 3.24Å; V158-V253 PolarHBondContact N-O 2.94Å; T229-V253 HydrophobicContact CG2-CG2 4.47Å
254	I	85.6	Confident	79.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.6	169.2	-59	-168.1	0	0	0	108.4	V158 L160 M171 V217 S227 F228 I230	V158-I254 HydrophobicContact CB-CG1 4.33Å; V158-I254 CarbonylContact O-C 3.58Å; V158-I254 WeakPolarHBondContact O-CA 3.32Å; L160-I254 HydrophobicContact CD1-CD1 4.41Å; L160-I254 HydrophobicContact CD1-CG2 3.46Å; L160-I254 VanDerWaalsContact CD1-CG2 3.46Å; L160-I254 HydrophobicContact CG-CG2 3.88Å; M171-I254 HydrophobicContact SD-CD1 3.72Å; M171-I254 HydrophobicContact SD-CG1 4.27Å; V217-I254 HydrophobicContact CG1-CD1 4.43Å; S227-I254 CarbonylContact C-O 3.6Å; S227-I254 WeakPolarHBondContact CA-O 3.34Å; S227-I254 VanDerWaalsContact CB-O 3.31Å; S227-I254 WeakPolarHBondContact CB-O 3.06Å; F228-I254 HydrophobicContact CD1-CB 4.08Å; F228-I254 HydrophobicContact CD1-CG2 4.31Å; F228-I254 HydrophobicContact CE1-CB 3.69Å; F228-I254 HydrophobicContact CE1-CD1 4.45Å; F228-I254 HydrophobicContact CE1-CG2 3.59Å; F228-I254 HydrophobicContact CE2-CB 4.38Å; F228-I254 HydrophobicContact CE2-CD1 4.14Å; F228-I254 HydrophobicContact CZ-CB 3.88Å; F228-I254 HydrophobicContact CZ-CD1 3.79Å; F228-I254 HydrophobicContact CZ-CG1 4.28Å; F228-I254 HydrophobicContact CZ-CG2 3.95Å; F228-I254 PolarHBondContact N-O 2.98Å; F228-I254 PolarHBondContact O-N 2.81Å; I230-I254 HydrophobicContact CD1-CD1 3.54Å; I230-I254 HydrophobicContact CD1-CG1 4.21Å; I230-I254 HydrophobicContact CG1-CD1 4.43Å
255	S	78.3	Confident	78.7	Confident	39 Å²	39	31.4 Å²	31.4	27%	0.273	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.4	172.4	-60.9	0	0	0	0	110.4	V158 R159 L160 Q226	V158-S255 PolarHBondContact O-N 2.92Å; R159-S255 CarbonylContact C-O 3.51Å; R159-S255 WeakPolarHBondContact CA-O 3.33Å; L160-S255 PolarHBondContact N-O 2.92Å; Q226-S255 CarbonylContact O-C 3.52Å; Q226-S255 VanDerWaalsContact O-CA 3.31Å; Q226-S255 WeakPolarHBondContact O-CA 3.48Å
256	L	72.9	Confident	78.1	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	113.4	174	-64.2	167.9	0	0	0	109.6	L160 F167 I197 I222 Q226	L160-L256 HydrophobicContact CB-CD2 4.24Å; L160-L256 CarbonylContact O-C 3.6Å; L160-L256 WeakPolarHBondContact O-CA 3.3Å; F167-L256 HydrophobicContact CZ-CD2 3.91Å; I197-L256 HydrophobicContact CD1-CD1 3.64Å; I197-L256 HydrophobicContact CG1-CD1 4Å; I197-L256 HydrophobicContact CG2-CD1 4.11Å; I222-L256 HydrophobicContact CD1-CD1 3.74Å; I222-L256 HydrophobicContact CD1-CD2 4.34Å; I222-L256 HydrophobicContact CG1-CD1 3.75Å; I222-L256 HydrophobicContact CG2-CD1 3.97Å; Q226-L256 PolarHBondContact O-N 3.48Å
257	I	64	Low	77.7	Confident	28 Å²	28	34.2 Å²	34.2	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.8	174.9	48.2	161.2	0	0	0	109.6	R159 L160 L161 K162 E260	R159-I257 HydrophobicContact CB-CD1 4.12Å; R159-I257 HydrophobicContact CB-CG1 4.41Å; L160-I257 VanDerWaalsContact O-CG1 3.29Å; L160-I257 WeakPolarHBondContact O-CG1 3.36Å; L160-I257 PolarHBondContact O-N 3.16Å; L161-I257 CarbonylContact C-O 3.52Å; L161-I257 VanDerWaalsContact CA-O 3.31Å; L161-I257 WeakPolarHBondContact CA-O 3.11Å; L161-I257 HydrophobicContact CD2-CD1 3.99Å; L161-I257 HydrophobicContact CD2-CG1 4.17Å; K162-I257 PolarHBondContact N-O 3.01Å; I257-E260 HydrophobicContact CD1-CB 4Å
258	S	58	Low	76.8	Confident	18 Å²	18	35.2 Å²	35.2	13%	0.126	21%	0.209	C	C	.	.	S	Bend	trans	-75	-29.2	178.2	-69.1	0	0	0	0	113	K162 A385 F386	K162-S258 WeakPolarHBondContact CD-OG 3.3Å; S258-A385 WeakPolarHBondContact OG-CB 3.48Å; S258-F386 WeakPolarHBondContact O-CZ 3.31Å
259	G	62.6	Low	75.9	Confident	11 Å²	11	34.6 Å²	34.6	11%	0.113	21%	0.208	C	C	.	.			trans	-173	167.5	171.2	0	0	0	0	0	109.3	N282	G259-N282 CarbonylContact C-O 3.59Å; G259-N282 VanDerWaalsContact CA-O 3.25Å; G259-N282 WeakPolarHBondContact CA-O 3.33Å
260	E	68.5	Low	74.9	Confident	42 Å²	42	34.3 Å²	34.3	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	130.4	179.3	-179	174.5	-129.6	0	0	109.8	R159 I257 I262 N282	R159-E260 IonicContact CZ-OE1 3.36Å; R159-E260 IonicContact NH1-OE1 3.58Å; R159-E260 PolarHBondContact NH1-OE1 2.96Å; I257-E260 HydrophobicContact CD1-CB 4Å; E260-I262 HydrophobicContact CG-CD1 4.3Å; E260-I262 HydrophobicContact CG-CG1 3.88Å; E260-N282 HydrophobicContact CB-CB 4.23Å; E260-N282 PolarHBondContact N-O 2.98Å; E260-N282 PolarHBondContact O-N 3.35Å
261	I	77.2	Confident	73.8	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.4	171.5	-52.7	165.2	0	0	0	107	L279 L281 V290 I389 T391	I261-L279 HydrophobicContact CG2-CD1 3.39Å; I261-L279 HydrophobicContact CG2-CG 4.31Å; I261-L281 HydrophobicContact CG1-CD1 4.03Å; I261-V290 HydrophobicContact CD1-CG1 4.01Å; I261-V290 HydrophobicContact CD1-CG2 3.7Å; I261-V290 HydrophobicContact CG1-CG2 4.35Å; I261-V290 HydrophobicContact CG2-CG1 4.43Å; I261-I389 HydrophobicContact CB-CG2 4.32Å; I261-I389 HydrophobicContact CD1-CB 4.1Å; I261-I389 HydrophobicContact CD1-CG2 3.72Å; I261-I389 HydrophobicContact CG1-CG2 3.7Å; I261-T391 HydrophobicContact CB-CG2 3.85Å; I261-T391 HydrophobicContact CG2-CG2 3.5Å; I261-T391 WeakPolarHBondContact O-CB 3.13Å; I261-T391 PolarHBondContact O-OG1 2.72Å; I261-T391 VanDerWaalsContact O-OG1 3.05Å
262	I	78.6	Confident	72.9	Confident	47 Å²	47	37.9 Å²	37.9	24%	0.241	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.4	-178.1	-57.8	-175.4	0	0	0	108.3	E260 F280	E260-I262 HydrophobicContact CG-CD1 4.3Å; E260-I262 HydrophobicContact CG-CG1 3.88Å; I262-F280 HydrophobicContact CB-CB 4.41Å; I262-F280 HydrophobicContact CB-CD1 4.35Å; I262-F280 HydrophobicContact CD1-CD1 4.17Å; I262-F280 HydrophobicContact CG1-CD1 4.47Å; I262-F280 PolarHBondContact N-O 3.25Å; I262-F280 PolarHBondContact O-N 2.97Å
263	L	79.9	Confident	72.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	151.9	163.3	-73.3	166.8	0	0	0	109.6	N266 V277 L278 L279 L350 L371 C373 T391	L263-N266 WeakPolarHBondContact CB-OD1 3.49Å; L263-N266 PolarHBondContact O-ND2 2.92Å; L263-N266 PolarHBondContact O-OD1 2.79Å; L263-V277 HydrophobicContact CB-CG1 4.08Å; L263-V277 HydrophobicContact CD2-CG1 3.75Å; L263-V277 HydrophobicContact CG-CG1 4.47Å; L263-L278 CarbonylContact C-O 3.55Å; L263-L278 WeakPolarHBondContact CA-O 3.19Å; L263-L279 HydrophobicContact CD2-CB 4.36Å; L263-L279 HydrophobicContact CD2-CD1 3.77Å; L263-L279 HydrophobicContact CG-CD1 4.34Å; L263-L350 HydrophobicContact CD2-CD1 3.72Å; L263-L371 HydrophobicContact CD1-CD2 4.05Å; L263-L371 HydrophobicContact CD1-CG 3.97Å; L263-L371 HydrophobicContact CD2-CD2 3.89Å; L263-C373 HydrophobicContact CD1-CB 4.44Å; L263-T391 HydrophobicContact CD1-CG2 3.85Å; L263-T391 HydrophobicContact CG-CG2 3.74Å
264	T	73.3	Confident	71.9	Confident	79 Å²	79	41.3 Å²	41.3	49%	0.485	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	123	173.4	-65.6	0	0	0	0	109.7	V277 L278	T264-V277 WeakPolarHBondContact O-CA 3.46Å; T264-V277 VanDerWaalsContact O-CG1 3.3Å; T264-V277 WeakPolarHBondContact O-CG1 3.32Å; T264-L278 PolarHBondContact N-O 2.87Å; T264-L278 PolarHBondContact O-N 3.23Å
265	P	68.5	Low	71.5	Confident	47 Å²	47	41.8 Å²	41.8	31%	0.305	23%	0.227	S	C	.	.	S	Bend	cis	-68.3	161.8	-1.3	29.7	-35.8	0	0	0	113.5	V268 S393	P265-V268 HydrophobicContact CB-CB 4.13Å; P265-V268 HydrophobicContact CB-CG1 4.1Å; P265-V268 HydrophobicContact CG-CB 4.22Å; P265-V268 HydrophobicContact CG-CG1 3.68Å; P265-S393 WeakPolarHBondContact O-CB 3.42Å; P265-S393 PolarHBondContact O-OG 3.26Å
266	N	67	Low	71.7	Confident	66 Å²	66	43.1 Å²	43.1	35%	0.353	23%	0.229	S	C	.	.	S	Bend	trans	-106.8	-28.4	176.2	-88.9	-15.6	0	0	0	114.3	L263 S393 R394	L263-N266 WeakPolarHBondContact CB-OD1 3.49Å; L263-N266 PolarHBondContact O-ND2 2.92Å; L263-N266 PolarHBondContact O-OD1 2.79Å; N266-S393 CarbonylContact O-C 3.5Å; N266-S393 WeakPolarHBondContact O-CA 3.34Å; N266-R394 PolarHBondContact O-N 3.28Å
267	D	72.9	Confident	72.1	Confident	123 Å²	123	42.8 Å²	42.8	66%	0.658	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	116.8	172.8	-80.4	-76	0	0	0	107.4	R394	D267-R394 WeakPolarHBondContact CA-O 3.34Å; D267-R394 WeakPolarHBondContact OD1-CB 3.26Å
268	V	72.7	Confident	72.9	Confident	22 Å²	22	44.8 Å²	44.8	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	145.5	179.3	74.1	0	0	0	0	112.4	P265 L270 R394 I395 N396 I581 T583	P265-V268 HydrophobicContact CB-CB 4.13Å; P265-V268 HydrophobicContact CB-CG1 4.1Å; P265-V268 HydrophobicContact CG-CB 4.22Å; P265-V268 HydrophobicContact CG-CG1 3.68Å; V268-L270 HydrophobicContact CG1-CD2 3.63Å; V268-L270 HydrophobicContact CG1-CG 4.06Å; V268-L270 HydrophobicContact CG2-CD2 4.07Å; V268-R394 PolarHBondContact N-O 2.63Å; V268-I395 HydrophobicContact CG1-CB 4.43Å; V268-I395 HydrophobicContact CG1-CG1 4.24Å; V268-I395 HydrophobicContact CG1-CG2 3.93Å; V268-I395 CarbonylContact O-C 3.49Å; V268-I395 WeakPolarHBondContact O-CA 3.1Å; V268-N396 PolarHBondContact O-N 2.8Å; V268-I581 HydrophobicContact CG2-CG2 4.36Å; V268-T583 HydrophobicContact CG2-CG2 4Å
269	N	69.7	Low	74.1	Confident	52 Å²	52	43.9 Å²	43.9	28%	0.278	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.9	165.7	-63.3	-26.2	0	0	0	108.1	N396 T583 D586	N269-N396 CarbonylContact C-O 3.59Å; N269-N396 WeakPolarHBondContact CA-O 3.3Å; N269-N396 WeakPolarHBondContact OD1-CB 3.33Å; N269-N396 PolarHBondContact OD1-ND2 2.98Å; N269-T583 WeakPolarHBondContact O-CB 3.42Å; N269-T583 WeakPolarHBondContact O-CG2 3.06Å; N269-T583 PolarHBondContact O-OG1 2.67Å; N269-D586 PolarHBondContact ND2-OD2 3.32Å
270	L	68.7	Low	74.8	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.6	179	-54.9	-180	0	0	0	114	V268 F275 I395 N396 V397 L398 T583	V268-L270 HydrophobicContact CG1-CD2 3.63Å; V268-L270 HydrophobicContact CG1-CG 4.06Å; V268-L270 HydrophobicContact CG2-CD2 4.07Å; L270-F275 HydrophobicContact CD1-CB 3.66Å; L270-F275 HydrophobicContact CD1-CD1 3.19Å; L270-F275 HydrophobicContact CD1-CD2 3.59Å; L270-F275 HydrophobicContact CD1-CE1 3.54Å; L270-F275 HydrophobicContact CD1-CE2 3.91Å; L270-F275 HydrophobicContact CD1-CG 3.21Å; L270-F275 HydrophobicContact CD1-CZ 3.88Å; L270-I395 HydrophobicContact CB-CG2 4.41Å; L270-I395 HydrophobicContact CD1-CG2 3.24Å; L270-I395 HydrophobicContact CD2-CG2 4.35Å; L270-I395 HydrophobicContact CG-CG2 3.4Å; L270-N396 PolarHBondContact N-O 3.04Å; L270-V397 HydrophobicContact CB-CG2 4.25Å; L270-V397 HydrophobicContact CD1-CG2 4.29Å; L270-L398 PolarHBondContact O-N 3.25Å; L270-T583 HydrophobicContact CB-CG2 4.34Å; L270-T583 HydrophobicContact CD2-CG2 3.34Å; L270-T583 HydrophobicContact CG-CG2 4.34Å
271	Y	65.7	Low	75	Confident	107 Å²	107	44.4 Å²	44.4	42%	0.42	23%	0.23	S	C	.	.			trans	-108.3	12.4	174.3	-87.1	-129.4	0	0	0	113.3	S584 S585	Y271-S584 WeakPolarHBondContact CD1-OG 3.47Å; Y271-S584 WeakPolarHBondContact CD2-OG 3.47Å; Y271-S584 WeakPolarHBondContact CE1-OG 3.29Å; Y271-S584 WeakPolarHBondContact CE2-O 3.31Å; Y271-S584 WeakPolarHBondContact CE2-OG 3.49Å; Y271-S584 VanDerWaalsContact CG-N 3.31Å; Y271-S584 WeakPolarHBondContact OH-CB 3.43Å; Y271-S584 PolarHBondContact OH-OG 2.9Å; Y271-S585 WeakPolarHBondContact CE2-OG 3.49Å; Y271-S585 WeakPolarHBondContact OH-CB 3.17Å
272	S	70.8	Confident	74.4	Confident	39 Å²	39	46.6 Å²	46.6	27%	0.273	24%	0.242	S	C	.	.			trans	-126.2	145.9	-173.1	-178	0	0	0	0	114.3	Q274 V397	S272-Q274 VanDerWaalsContact C-N 3.3Å; S272-Q274 PolarHBondContact OG-N 2.93Å; S272-Q274 PolarHBondContact OG-O 3.06Å; S272-V397 WeakPolarHBondContact O-CG1 3.2Å
273	L	75.8	Confident	73.6	Confident	39 Å²	39	45.1 Å²	45.1	20%	0.204	24%	0.238	C	C	.	.	S	Bend	trans	-82.4	-3.1	174.7	-51.9	-178.5	0	0	0	113.7	W325 R354 Y357 P358 L399	L273-W325 WeakPolarHBondContact O-CZ3 3.36Å; L273-R354 HydrophobicContact CB-CB 4.15Å; L273-R354 WeakPolarHBondContact O-CB 3.35Å; L273-R354 PolarHBondContact O-N 2.88Å; L273-Y357 HydrophobicContact CD1-CD1 3.55Å; L273-Y357 HydrophobicContact CD1-CE1 3.97Å; L273-P358 HydrophobicContact CD1-CG 4.26Å; L273-P358 HydrophobicContact CD2-CG 4.38Å; L273-L399 HydrophobicContact CD2-CD2 3.67Å
274	Q	78.5	Confident	72.6	Confident	87 Å²	87	46.4 Å²	46.4	41%	0.407	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.2	172.5	-177.4	179.4	-44	0	0	109.2	S272 T351 V352 K353	S272-Q274 VanDerWaalsContact C-N 3.3Å; S272-Q274 PolarHBondContact OG-N 2.93Å; S272-Q274 PolarHBondContact OG-O 3.06Å; Q274-T351 HydrophobicContact CG-CG2 3.89Å; Q274-V352 WeakPolarHBondContact CA-O 3.15Å; Q274-K353 HydrophobicContact CB-CG 4.26Å; Q274-K353 HydrophobicContact CG-CB 4.12Å; Q274-K353 HydrophobicContact CG-CD 4.41Å; Q274-K353 HydrophobicContact CG-CG 4.16Å; Q274-K353 VanDerWaalsContact OE1-CD 3.3Å
275	F	77.3	Confident	71.7	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.044	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	173.2	-178.9	60.8	-86.9	0	0	0	111	L270 V277 W325 T351 V352 L369 I395 V397	L270-F275 HydrophobicContact CD1-CB 3.66Å; L270-F275 HydrophobicContact CD1-CD1 3.19Å; L270-F275 HydrophobicContact CD1-CD2 3.59Å; L270-F275 HydrophobicContact CD1-CE1 3.54Å; L270-F275 HydrophobicContact CD1-CE2 3.91Å; L270-F275 HydrophobicContact CD1-CG 3.21Å; L270-F275 HydrophobicContact CD1-CZ 3.88Å; F275-V277 HydrophobicContact CD2-CG2 3.78Å; F275-V277 HydrophobicContact CE2-CG2 3.58Å; F275-W325 HydrophobicContact CD1-CH2 4.45Å; F275-W325 AromaticContact CD1-CZ3 3.92Å; F275-W325 HydrophobicContact CD1-CZ3 3.92Å; F275-W325 HydrophobicContact CE1-CE3 4.1Å; F275-W325 HydrophobicContact CE1-CH2 4.08Å; F275-W325 AromaticContact CE1-CZ3 3.53Å; F275-W325 HydrophobicContact CE1-CZ3 3.53Å; F275-T351 WeakPolarHBondContact O-CA 3.42Å; F275-V352 HydrophobicContact CD1-CB 4.21Å; F275-V352 HydrophobicContact CD1-CG1 4.45Å; F275-V352 HydrophobicContact CD2-CB 4Å; F275-V352 HydrophobicContact CD2-CG2 4.4Å; F275-V352 HydrophobicContact CE1-CB 3.8Å; F275-V352 HydrophobicContact CE1-CG1 3.63Å; F275-V352 HydrophobicContact CE2-CB 3.56Å; F275-V352 HydrophobicContact CE2-CG1 3.98Å; F275-V352 HydrophobicContact CE2-CG2 3.81Å; F275-V352 HydrophobicContact CG-CB 4.31Å; F275-V352 HydrophobicContact CZ-CB 3.45Å; F275-V352 VanDerWaalsContact CZ-CB 3.45Å; F275-V352 HydrophobicContact CZ-CG1 3.34Å; F275-V352 HydrophobicContact CZ-CG2 4.06Å; F275-V352 PolarHBondContact N-O 2.92Å; F275-V352 PolarHBondContact O-N 2.58Å; F275-L369 HydrophobicContact CE1-CD1 3.85Å; F275-L369 HydrophobicContact CZ-CD1 3.91Å; F275-I395 HydrophobicContact CE1-CG2 4.16Å; F275-I395 HydrophobicContact CE2-CB 4.32Å; F275-I395 HydrophobicContact CE2-CD1 4.15Å; F275-I395 HydrophobicContact CE2-CG1 3.87Å; F275-I395 HydrophobicContact CE2-CG2 3.92Å; F275-I395 HydrophobicContact CZ-CB 4.04Å; F275-I395 HydrophobicContact CZ-CD1 4.25Å; F275-I395 HydrophobicContact CZ-CG1 4.05Å; F275-I395 HydrophobicContact CZ-CG2 3.63Å; F275-V397 HydrophobicContact CE1-CG2 4.3Å
276	Q	83.1	Confident	71.4	Confident	67 Å²	67	49.9 Å²	49.9	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147	176.7	-72.9	172.5	-16.8	0	0	110.6	L349 L350 S674	Q276-L349 HydrophobicContact CB-CD1 3.95Å; Q276-L349 HydrophobicContact CB-CG 4.47Å; Q276-L349 HydrophobicContact CG-CD1 4.32Å; Q276-L349 HydrophobicContact CG-CG 4.32Å; Q276-L350 CarbonylContact C-O 3.52Å; Q276-L350 VanDerWaalsContact CA-O 3.25Å; Q276-L350 WeakPolarHBondContact CA-O 3.41Å; Q276-S674 PolarHBondContact OE1-OG 2.04Å
277	V	81.2	Confident	71.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.3	172.8	-170.2	0	0	0	0	107.3	L263 T264 F275 L350 V352 L371	L263-V277 HydrophobicContact CB-CG1 4.08Å; L263-V277 HydrophobicContact CD2-CG1 3.75Å; L263-V277 HydrophobicContact CG-CG1 4.47Å; T264-V277 WeakPolarHBondContact O-CA 3.46Å; T264-V277 VanDerWaalsContact O-CG1 3.3Å; T264-V277 WeakPolarHBondContact O-CG1 3.32Å; F275-V277 HydrophobicContact CD2-CG2 3.78Å; F275-V277 HydrophobicContact CE2-CG2 3.58Å; V277-L350 PolarHBondContact N-O 2.79Å; V277-L350 WeakPolarHBondContact O-CB 3.47Å; V277-L350 PolarHBondContact O-N 2.67Å; V277-V352 HydrophobicContact CG2-CG2 4.1Å; V277-L371 HydrophobicContact CB-CD2 3.82Å; V277-L371 HydrophobicContact CG1-CD2 3.87Å; V277-L371 HydrophobicContact CG2-CD2 3.76Å
278	L	80.7	Confident	71.5	Confident	69 Å²	69	45.2 Å²	45.2	36%	0.361	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.2	175.5	-171.6	68.8	0	0	0	109.1	L263 T264 T347	L263-L278 CarbonylContact C-O 3.55Å; L263-L278 WeakPolarHBondContact CA-O 3.19Å; T264-L278 PolarHBondContact N-O 2.87Å; T264-L278 PolarHBondContact O-N 3.23Å; L278-T347 HydrophobicContact CD1-CG2 4.19Å; L278-T347 HydrophobicContact CD2-CG2 4.41Å
279	L	82.8	Confident	71.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.7	169	-178.6	73.3	0	0	0	107.9	I261 L263 V290 N332 F334 T347 R348 L350 C373	I261-L279 HydrophobicContact CG2-CD1 3.39Å; I261-L279 HydrophobicContact CG2-CG 4.31Å; L263-L279 HydrophobicContact CD2-CB 4.36Å; L263-L279 HydrophobicContact CD2-CD1 3.77Å; L263-L279 HydrophobicContact CG-CD1 4.34Å; L279-V290 HydrophobicContact CD1-CG1 4.4Å; L279-V290 HydrophobicContact CD2-CB 4.38Å; L279-V290 HydrophobicContact CD2-CG1 4.1Å; L279-N332 HydrophobicContact CD2-CB 3.85Å; L279-F334 HydrophobicContact CD2-CE2 4.26Å; L279-F334 HydrophobicContact CD2-CZ 4.12Å; L279-F334 HydrophobicContact CG-CZ 4.46Å; L279-T347 CarbonylContact O-C 3.55Å; L279-T347 WeakPolarHBondContact O-CA 2.98Å; L279-R348 HydrophobicContact CB-CB 4.26Å; L279-R348 HydrophobicContact CD2-CB 4.31Å; L279-R348 PolarHBondContact N-O 3.42Å; L279-R348 PolarHBondContact O-N 3.31Å; L279-L350 HydrophobicContact CB-CD1 3.92Å; L279-L350 HydrophobicContact CB-CD2 4.41Å; L279-L350 HydrophobicContact CB-CG 3.94Å; L279-L350 HydrophobicContact CD1-CD1 4.44Å; L279-L350 HydrophobicContact CD2-CD1 4.48Å; L279-L350 HydrophobicContact CD2-CD2 4.32Å; L279-C373 HydrophobicContact CD1-CB 4.05Å
280	F	77.3	Confident	72.7	Confident	64 Å²	64	42.2 Å²	42.2	28%	0.281	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.8	176.1	175.7	-113.5	0	0	0	110.6	I262 N282 L346 T347	I262-F280 HydrophobicContact CB-CB 4.41Å; I262-F280 HydrophobicContact CB-CD1 4.35Å; I262-F280 HydrophobicContact CD1-CD1 4.17Å; I262-F280 HydrophobicContact CG1-CD1 4.47Å; I262-F280 PolarHBondContact N-O 3.25Å; I262-F280 PolarHBondContact O-N 2.97Å; F280-N282 HydrophobicContact CD1-CB 4.34Å; F280-N282 HydrophobicContact CE1-CB 3.7Å; F280-N282 HydrophobicContact CZ-CB 4.31Å; F280-L346 WeakPolarHBondContact CA-O 3.25Å; F280-L346 HydrophobicContact CD2-CB 4.28Å; F280-L346 WeakPolarHBondContact CD2-O 2.99Å; F280-L346 HydrophobicContact CE2-CB 3.88Å; F280-T347 HydrophobicContact CD2-CG2 3.82Å
281	L	72.5	Confident	73.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.1	179.6	175.1	53.6	0	0	0	109.9	I261 L284 L288 F334 L346	I261-L281 HydrophobicContact CG1-CD1 4.03Å; L281-L284 HydrophobicContact CD2-CD1 3.42Å; L281-L284 VanDerWaalsContact CD2-CD1 3.42Å; L281-L284 HydrophobicContact CD2-CD2 3.98Å; L281-L284 HydrophobicContact CD2-CG 3.73Å; L281-L284 HydrophobicContact CG-CD1 4.09Å; L281-L284 HydrophobicContact CG-CG 4.08Å; L281-L288 HydrophobicContact CD1-CD2 3.86Å; L281-L288 HydrophobicContact CD2-CD2 3.87Å; L281-F334 HydrophobicContact CB-CD1 4.34Å; L281-F334 HydrophobicContact CB-CE1 3.94Å; L281-F334 HydrophobicContact CB-CZ 4.02Å; L281-F334 HydrophobicContact CD2-CB 3.81Å; L281-F334 HydrophobicContact CD2-CD1 3.75Å; L281-F334 HydrophobicContact CD2-CD2 3.54Å; L281-F334 HydrophobicContact CD2-CE1 4.06Å; L281-F334 HydrophobicContact CD2-CE2 3.9Å; L281-F334 HydrophobicContact CD2-CG 3.45Å; L281-F334 VanDerWaalsContact CD2-CG 3.45Å; L281-F334 HydrophobicContact CD2-CZ 4.13Å; L281-L346 PolarHBondContact N-O 2.99Å; L281-L346 WeakPolarHBondContact O-CD2 3.31Å
282	N	66.2	Low	74.7	Confident	50 Å²	50	39.4 Å²	39.4	27%	0.267	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	102	-177	-163.4	16.4	0	0	0	109.7	L161 G259 E260 F280	L161-N282 VanDerWaalsContact CD2-O 3.29Å; L161-N282 WeakPolarHBondContact CD2-O 3.4Å; G259-N282 CarbonylContact C-O 3.59Å; G259-N282 VanDerWaalsContact CA-O 3.25Å; G259-N282 WeakPolarHBondContact CA-O 3.33Å; E260-N282 HydrophobicContact CB-CB 4.23Å; E260-N282 PolarHBondContact N-O 2.98Å; E260-N282 PolarHBondContact O-N 3.35Å; F280-N282 HydrophobicContact CD1-CB 4.34Å; F280-N282 HydrophobicContact CE1-CB 3.7Å; F280-N282 HydrophobicContact CZ-CB 4.31Å
283	G	60.6	Low	75.6	Confident	16 Å²	16	40.2 Å²	40.2	17%	0.165	21%	0.213	C	C	.	.			trans	89.6	123.9	176	0	0	0	0	0	115
284	L	58.5	Low	76.2	Confident	27 Å²	27	38.7 Å²	38.7	14%	0.141	21%	0.205	C	C	.	.			trans	-141.8	133.9	175.7	-87.1	169.8	0	0	0	111.2	L281 Q286 L288 F334 A336 I339 L346	L281-L284 HydrophobicContact CD2-CD1 3.42Å; L281-L284 VanDerWaalsContact CD2-CD1 3.42Å; L281-L284 HydrophobicContact CD2-CD2 3.98Å; L281-L284 HydrophobicContact CD2-CG 3.73Å; L281-L284 HydrophobicContact CG-CD1 4.09Å; L281-L284 HydrophobicContact CG-CG 4.08Å; L284-Q286 WeakPolarHBondContact CD2-O 2.81Å; L284-L288 HydrophobicContact CD2-CB 3.59Å; L284-L288 HydrophobicContact CD2-CD2 4.1Å; L284-L288 HydrophobicContact CD2-CG 4.49Å; L284-F334 HydrophobicContact CD1-CB 3.75Å; L284-A336 HydrophobicContact CB-CB 4.48Å; L284-I339 HydrophobicContact CD1-CD1 3.35Å; L284-L346 HydrophobicContact CD1-CD2 4.16Å
285	N	55.6	Low	76.6	Confident	101 Å²	101	37.2 Å²	37.2	54%	0.54	20%	0.201	S	C	.	.	S	Bend	trans	-121.2	-10.5	171.2	-67.5	-36.3	0	0	0	112.7
286	Q	61.5	Low	77	Confident	99 Å²	99	38.2 Å²	38.2	46%	0.463	21%	0.207	S	C	.	.	S	Bend	trans	-148.2	160.3	-177.8	-60.5	-177.6	15.2	0	0	108.4	L284	L284-Q286 WeakPolarHBondContact CD2-O 2.81Å
287	D	67.4	Low	77.1	Confident	84 Å²	84	35.2 Å²	35.2	45%	0.449	19%	0.194	S	C	.	.			trans	-65.8	137.6	178.5	-66.6	3	0	0	0	111.1	R335 A336	D287-R335 HydrophobicContact CB-CG 4.38Å; D287-R335 VanDerWaalsContact OD1-CA 3.24Å; D287-R335 WeakPolarHBondContact OD1-CA 3.39Å; D287-R335 WeakPolarHBondContact OD1-CB 3.37Å; D287-R335 WeakPolarHBondContact OD2-CG 3.43Å; D287-A336 PolarHBondContact OD1-N 3.06Å
288	L	75.2	Confident	76.9	Confident	7 Å²	7	41.7 Å²	41.7	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.3	-172.9	-178.3	63.7	0	0	0	111.1	L281 L284 V290 F334 S375 T377	L281-L288 HydrophobicContact CD1-CD2 3.86Å; L281-L288 HydrophobicContact CD2-CD2 3.87Å; L284-L288 HydrophobicContact CD2-CB 3.59Å; L284-L288 HydrophobicContact CD2-CD2 4.1Å; L284-L288 HydrophobicContact CD2-CG 4.49Å; L288-V290 HydrophobicContact CD2-CG2 4.16Å; L288-V290 HydrophobicContact CG-CG2 4.16Å; L288-F334 PolarHBondContact N-O 3.38Å; L288-F334 PolarHBondContact O-N 3.18Å; L288-S375 WeakPolarHBondContact CD1-OG 3.33Å; L288-T377 WeakPolarHBondContact CD1-OG1 3.45Å
289	G	80.3	Confident	76.9	Confident	10 Å²	10	42.1 Å²	42.1	10%	0.103	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.4	164.3	0	0	0	0	0	110.9	S375 T376	G289-S375 WeakPolarHBondContact O-CA 3.45Å; G289-T376 WeakPolarHBondContact CA-OG1 3.37Å; G289-T376 PolarHBondContact O-N 3.47Å; G289-T376 PolarHBondContact O-OG1 2.97Å
290	V	86.1	Confident	76.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117	173.5	-178.2	0	0	0	0	109.1	I261 L279 L288 N332 F334 C373 C374	I261-V290 HydrophobicContact CD1-CG1 4.01Å; I261-V290 HydrophobicContact CD1-CG2 3.7Å; I261-V290 HydrophobicContact CG1-CG2 4.35Å; I261-V290 HydrophobicContact CG2-CG1 4.43Å; L279-V290 HydrophobicContact CD1-CG1 4.4Å; L279-V290 HydrophobicContact CD2-CB 4.38Å; L279-V290 HydrophobicContact CD2-CG1 4.1Å; L288-V290 HydrophobicContact CD2-CG2 4.16Å; L288-V290 HydrophobicContact CG-CG2 4.16Å; V290-N332 HydrophobicContact CB-CB 4.31Å; V290-N332 PolarHBondContact N-O 3.01Å; V290-N332 WeakPolarHBondContact O-CB 3.37Å; V290-N332 PolarHBondContact O-N 3.11Å; V290-F334 HydrophobicContact CB-CE2 4.24Å; V290-F334 HydrophobicContact CG2-CD2 4.21Å; V290-F334 HydrophobicContact CG2-CE2 3.85Å; V290-C373 HydrophobicContact CG1-CB 3.87Å; V290-C374 CarbonylContact C-O 3.56Å; V290-C374 WeakPolarHBondContact CA-O 3.39Å
291	L	87.5	Confident	77	Confident	55 Å²	55	47.9 Å²	47.9	29%	0.288	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.4	176.7	-178	66.5	0	0	0	109.8	V315 S330 L331 C373 C374 T376	L291-V315 HydrophobicContact CD2-CB 4.37Å; L291-V315 HydrophobicContact CD2-CG2 3.84Å; L291-S330 CarbonylContact C-O 3.49Å; L291-S330 WeakPolarHBondContact CA-O 3.17Å; L291-L331 HydrophobicContact CB-CD1 4.49Å; L291-L331 HydrophobicContact CD1-CB 4.38Å; L291-C373 CarbonylContact O-C 3.58Å; L291-C373 WeakPolarHBondContact O-CA 3.48Å; L291-C374 PolarHBondContact N-O 2.83Å; L291-C374 PolarHBondContact O-N 2.82Å; L291-T376 HydrophobicContact CB-CG2 3.69Å
292	C	90.6	Very high	77.4	Confident	3 Å²	3	51 Å²	51	2%	0.02	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.7	-179.8	-65.4	0	0	0	0	111.4	V327 S330 L350 L371 K372 C373	C292-V327 HydrophobicContact CB-CG1 4.34Å; C292-V327 WeakPolarHBondContact O-CG1 3.36Å; C292-S330 PolarHBondContact N-O 3.4Å; C292-L350 HydrophobicContact CB-CD1 4.25Å; C292-L371 HydrophobicContact CB-CD1 4.43Å; C292-K372 CarbonylContact C-O 3.59Å; C292-K372 WeakPolarHBondContact CA-O 3.31Å; C292-C373 HydrophobicContact CB-CB 4.19Å; C292-C373 WeakPolarHBondContact CB-SG 3.37Å; C292-C373 WeakPolarHBondContact SG-CB 2.96Å; C292-C373 CovalentContact SG-SG 2.04Å; C292-C373 PolarHBondContact SG-SG 2.86Å
293	S	88	Confident	78.2	Confident	56 Å²	56	48.6 Å²	48.6	39%	0.392	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.7	174.4	58.5	0	0	0	0	110.9	L371 K372	S293-L371 WeakPolarHBondContact O-CA 3.09Å; S293-K372 PolarHBondContact N-O 2.85Å; S293-K372 PolarHBondContact O-N 2.81Å
294	V	89.4	Confident	79.2	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.4	177.3	58	0	0	0	0	110	W325 V327 V352 L369 L371	V294-W325 HydrophobicContact CG1-CB 3.84Å; V294-W325 HydrophobicContact CG2-CB 4.25Å; V294-V327 HydrophobicContact CG1-CB 4.33Å; V294-V327 HydrophobicContact CG1-CG1 4.39Å; V294-V352 HydrophobicContact CB-CG1 4.47Å; V294-V352 HydrophobicContact CG1-CG1 4.43Å; V294-V352 HydrophobicContact CG2-CG1 4.14Å; V294-L369 HydrophobicContact CG2-CB 4.05Å; V294-L371 HydrophobicContact CB-CD1 4.44Å
295	N	86.5	Confident	80.2	Confident	57 Å²	57	55.5 Å²	55.5	31%	0.305	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.4	178.3	-70.6	-9.3	0	0	0	109.8	L306 L369 I370	N295-L306 HydrophobicContact CB-CD1 4.09Å; N295-L369 CarbonylContact O-C 3.59Å; N295-L369 WeakPolarHBondContact O-CA 3.42Å; N295-I370 PolarHBondContact N-O 3.02Å; N295-I370 PolarHBondContact O-N 3.05Å
296	V	86.2	Confident	81.5	Confident	30 Å²	30	52.2 Å²	52.2	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.1	168.8	-169.3	0	0	0	0	108.7	Q302 E367 L369	V296-Q302 PolarHBondContact O-NE2 2.85Å; V296-E367 HydrophobicContact CG1-CB 4.2Å; V296-E367 HydrophobicContact CG1-CG 4.09Å; V296-L369 HydrophobicContact CB-CD2 4.45Å; V296-L369 HydrophobicContact CG1-CD2 4.34Å; V296-L369 HydrophobicContact CG2-CD2 3.88Å
297	A	84.2	Confident	82.4	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.5	173.2	0	0	0	0	0	110	N299 Q302 A303 L306 I368	A297-N299 VanDerWaalsContact C-N 3.27Å; A297-N299 PolarHBondContact O-N 2.93Å; A297-Q302 HydrophobicContact CB-CB 4.2Å; A297-Q302 HydrophobicContact CB-CG 4.12Å; A297-A303 HydrophobicContact CB-CB 3.89Å; A297-L306 HydrophobicContact CB-CD1 4.19Å; A297-I368 HydrophobicContact CB-CB 4.17Å; A297-I368 HydrophobicContact CB-CG2 4.22Å; A297-I368 PolarHBondContact N-O 2.88Å
298	N	78.7	Confident	82.8	Confident	137 Å²	137	49.4 Å²	49.4	73%	0.733	28%	0.277	S	S	*	.	S	Bend	trans	-80.8	-7.9	-174.8	-58.2	-17.8	0	0	0	113
299	N	79.7	Confident	82.8	Confident	78 Å²	78	51.6 Å²	51.6	42%	0.417	29%	0.289	S	S	.	.	S	Bend	trans	-168.3	166.2	178.6	52.3	73	0	0	0	111.1	A297 T301 Q302 A303	A297-N299 VanDerWaalsContact C-N 3.27Å; A297-N299 PolarHBondContact O-N 2.93Å; N299-T301 VanDerWaalsContact C-N 3.27Å; N299-T301 PolarHBondContact O-N 2.65Å; N299-T301 WeakPolarHBondContact OD1-CB 3.33Å; N299-T301 PolarHBondContact OD1-N 2.72Å; N299-T301 VanDerWaalsContact OD1-N 3.16Å; N299-Q302 PolarHBondContact O-N 2.84Å; N299-Q302 PolarHBondContact OD1-N 3.15Å; N299-A303 PolarHBondContact O-N 2.84Å
300	E	83.1	Confident	82.2	Confident	90 Å²	90	56.7 Å²	56.7	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-51.2	-40.7	174.5	-72.2	-62.1	152	0	0	113.6	Q302 A303 N304 R394	E300-Q302 PolarHBondContact O-N 3.19Å; E300-A303 PolarHBondContact O-N 3.33Å; E300-N304 WeakPolarHBondContact O-CB 3.47Å; E300-N304 PolarHBondContact O-N 2.77Å; E300-N304 PolarHBondContact O-ND2 3.17Å; E300-R394 IonicContact OE1-CZ 3.02Å; E300-R394 IonicContact OE1-NH1 3.87Å; E300-R394 IonicContact OE1-NH2 3.27Å; E300-R394 PolarHBondContact OE1-NH2 2.85Å; E300-R394 IonicContact OE2-CZ 3.31Å; E300-R394 IonicContact OE2-NH1 2.68Å; E300-R394 PolarHBondContact OE2-NH1 2.98Å; E300-R394 IonicContact OE2-NH2 3.77Å; E300-R394 PolarHBondContact OE2-NH2 3.2Å
301	T	79.7	Confident	81.4	Confident	95 Å²	95	60.8 Å²	60.8	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-42	-177.8	-36.4	0	0	0	0	111.2	N299 N305	N299-T301 VanDerWaalsContact C-N 3.27Å; N299-T301 PolarHBondContact O-N 2.65Å; N299-T301 WeakPolarHBondContact OD1-CB 3.33Å; N299-T301 PolarHBondContact OD1-N 2.72Å; N299-T301 VanDerWaalsContact OD1-N 3.16Å; T301-N305 WeakPolarHBondContact O-CB 3.13Å; T301-N305 PolarHBondContact O-N 2.94Å; T301-N305 PolarHBondContact O-ND2 2.96Å; T301-N305 PolarHBondContact O-OD1 3Å
302	Q	81.3	Confident	80.4	Confident	64 Å²	64	59.5 Å²	59.5	30%	0.299	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-38.7	173.8	-172.8	-177.2	-6.3	0	0	111.7	V296 A297 N299 E300 N305 L306	V296-Q302 PolarHBondContact O-NE2 2.85Å; A297-Q302 HydrophobicContact CB-CB 4.2Å; A297-Q302 HydrophobicContact CB-CG 4.12Å; N299-Q302 PolarHBondContact O-N 2.84Å; N299-Q302 PolarHBondContact OD1-N 3.15Å; E300-Q302 PolarHBondContact O-N 3.19Å; Q302-N305 PolarHBondContact O-N 3.49Å; Q302-L306 HydrophobicContact CG-CD1 4.19Å; Q302-L306 WeakPolarHBondContact O-CB 3.29Å; Q302-L306 WeakPolarHBondContact O-CG 3.16Å; Q302-L306 PolarHBondContact O-N 3.15Å
303	A	82	Confident	78.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-49.4	176.7	0	0	0	0	0	111.6	A297 N299 E300 N305 L306 L307 I368 I370	A297-A303 HydrophobicContact CB-CB 3.89Å; N299-A303 PolarHBondContact O-N 2.84Å; E300-A303 PolarHBondContact O-N 3.33Å; A303-N305 VanDerWaalsContact C-N 3.33Å; A303-N305 PolarHBondContact O-N 2.87Å; A303-L306 PolarHBondContact O-N 2.93Å; A303-L306 VanDerWaalsContact O-N 3.16Å; A303-L307 WeakPolarHBondContact O-CG 3.19Å; A303-L307 PolarHBondContact O-N 2.91Å; A303-I368 HydrophobicContact CB-CD1 4.34Å; A303-I368 HydrophobicContact CB-CG2 3.67Å; A303-I370 HydrophobicContact CB-CD1 4.23Å
304	N	82.5	Confident	76.7	Confident	82 Å²	82	67.1 Å²	67.1	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-35	177.5	-71.4	-60.8	0	0	0	112.5	E300 L307 S308	E300-N304 WeakPolarHBondContact O-CB 3.47Å; E300-N304 PolarHBondContact O-N 2.77Å; E300-N304 PolarHBondContact O-ND2 3.17Å; N304-L307 PolarHBondContact O-N 2.93Å; N304-S308 WeakPolarHBondContact O-CB 3.5Å; N304-S308 PolarHBondContact O-N 3.05Å; N304-S308 PolarHBondContact O-OG 3.06Å
305	N	79.4	Confident	74.5	Confident	106 Å²	106	71.6 Å²	71.6	57%	0.567	41%	0.408	S	S	*	.	H	α-helix	trans	-66.8	-36.9	172.6	-71.7	-11.6	0	0	0	112.5	T301 Q302 A303 S308 D309	T301-N305 WeakPolarHBondContact O-CB 3.13Å; T301-N305 PolarHBondContact O-N 2.94Å; T301-N305 PolarHBondContact O-ND2 2.96Å; T301-N305 PolarHBondContact O-OD1 3Å; Q302-N305 PolarHBondContact O-N 3.49Å; A303-N305 VanDerWaalsContact C-N 3.33Å; A303-N305 PolarHBondContact O-N 2.87Å; N305-S308 PolarHBondContact O-OG 3.49Å; N305-D309 PolarHBondContact O-N 2.91Å
306	L	82.1	Confident	71.9	Confident	32 Å²	32	72.3 Å²	72.3	17%	0.168	42%	0.417	C	S	.	.	H	α-helix	trans	-74.2	-30.7	176.3	-75.5	170.7	0	0	0	113.1	N295 A297 Q302 A303 I370	N295-L306 HydrophobicContact CB-CD1 4.09Å; A297-L306 HydrophobicContact CB-CD1 4.19Å; Q302-L306 HydrophobicContact CG-CD1 4.19Å; Q302-L306 WeakPolarHBondContact O-CB 3.29Å; Q302-L306 WeakPolarHBondContact O-CG 3.16Å; Q302-L306 PolarHBondContact O-N 3.15Å; A303-L306 PolarHBondContact O-N 2.93Å; A303-L306 VanDerWaalsContact O-N 3.16Å; L306-I370 HydrophobicContact CB-CB 4.25Å; L306-I370 HydrophobicContact CB-CG1 3.92Å; L306-I370 HydrophobicContact CB-CG2 4.14Å; L306-I370 HydrophobicContact CD1-CB 4.39Å; L306-I370 HydrophobicContact CD1-CG1 4.07Å
307	L	80.8	Confident	69.7	Low	43 Å²	43	77 Å²	77	23%	0.225	45%	0.446	C	S	.	.	H	α-helix	trans	-76.7	-30.2	175.1	-72	167.2	0	0	0	113.1	A303 N304 I370 R394	A303-L307 WeakPolarHBondContact O-CG 3.19Å; A303-L307 PolarHBondContact O-N 2.91Å; N304-L307 PolarHBondContact O-N 2.93Å; L307-I370 HydrophobicContact CD1-CD1 4.11Å; L307-I370 HydrophobicContact CD2-CD1 4.05Å; L307-I370 HydrophobicContact CD2-CG2 4.16Å; L307-I370 HydrophobicContact CG-CD1 3.86Å; L307-R394 HydrophobicContact CD1-CB 4.29Å; L307-R394 HydrophobicContact CD2-CB 4.31Å
308	S	75.5	Confident	67.2	Low	81 Å²	81	83.3 Å²	83.3	57%	0.566	48%	0.479	S	S	*	.	H	α-helix	trans	-88.5	-8.8	176.6	53.8	0	0	0	0	114	N304 N305 N310	N304-S308 WeakPolarHBondContact O-CB 3.5Å; N304-S308 PolarHBondContact O-N 3.05Å; N304-S308 PolarHBondContact O-OG 3.06Å; N305-S308 PolarHBondContact O-OG 3.49Å; S308-N310 PolarHBondContact O-N 3.41Å
309	D	74.8	Confident	64.9	Low	54 Å²	54	81.9 Å²	81.9	29%	0.289	48%	0.475	S	S	.	.			trans	-72.8	89.9	171.7	173.2	27	0	0	0	111.2	N305 T311 K372	N305-D309 PolarHBondContact O-N 2.91Å; D309-T311 PolarHBondContact O-N 3.13Å; D309-T311 WeakPolarHBondContact OD1-CA 3.4Å; D309-T311 VanDerWaalsContact OD1-CB 3.31Å; D309-T311 WeakPolarHBondContact OD1-CB 3.45Å; D309-T311 PolarHBondContact OD1-N 2.79Å; D309-T311 PolarHBondContact OD1-OG1 2.85Å; D309-K372 PolarHBondContact O-NZ 2.9Å; D309-K372 IonicContact OD1-NZ 2.82Å; D309-K372 IonicContact OD2-NZ 3.68Å; D309-K372 PolarHBondContact OD2-NZ 2.91Å
310	N	69.1	Low	62.6	Low	117 Å²	117	84.2 Å²	84.2	63%	0.626	49%	0.492	S	S	*	.			trans	-76.2	5	172.3	-71.8	-23.7	0	0	0	113.9	S308 V390	S308-N310 PolarHBondContact O-N 3.41Å; N310-V390 HydrophobicContact CB-CG1 4.45Å
311	T	67.4	Low	60.6	Low	86 Å²	86	83.6 Å²	83.6	53%	0.528	50%	0.496	S	S	.	.			trans	-85.6	133.3	179.8	74.4	0	0	0	0	111.5	D309 G313 K372	D309-T311 PolarHBondContact O-N 3.13Å; D309-T311 WeakPolarHBondContact OD1-CA 3.4Å; D309-T311 VanDerWaalsContact OD1-CB 3.31Å; D309-T311 WeakPolarHBondContact OD1-CB 3.45Å; D309-T311 PolarHBondContact OD1-N 2.79Å; D309-T311 PolarHBondContact OD1-OG1 2.85Å; T311-G313 VanDerWaalsContact C-N 3.34Å; T311-G313 PolarHBondContact O-N 3.03Å; T311-K372 WeakPolarHBondContact O-CE 3.38Å; T311-K372 PolarHBondContact O-NZ 3.3Å
312	C	66.9	Low	59	Low	28 Å²	28	85.3 Å²	85.3	19%	0.189	51%	0.511	C	S	.	.			trans	-85.2	84.1	163	-67.4	0	0	0	0	108.2	C374	C312-C374 WeakPolarHBondContact CA-SG 3.26Å; C312-C374 HydrophobicContact CB-CB 3.83Å; C312-C374 WeakPolarHBondContact CB-SG 3.46Å; C312-C374 WeakPolarHBondContact SG-CB 3.27Å; C312-C374 CovalentContact SG-SG 2.04Å; C312-C374 PolarHBondContact SG-SG 3.16Å
313	G	54.2	Low	57.8	Low	50 Å²	50	83.2 Å²	83.2	52%	0.515	50%	0.504	S	S	.	.			trans	-55.5	140.6	179.9	0	0	0	0	0	112	T311 V315	T311-G313 VanDerWaalsContact C-N 3.34Å; T311-G313 PolarHBondContact O-N 3.03Å; G313-V315 PolarHBondContact O-N 2.8Å
314	I	47.8	Very low	57.3	Low	169 Å²	169	84.3 Å²	84.3	87%	0.867	51%	0.512	S	S	*	.			trans	-60.4	110.3	177.3	-56.9	173.2	0	0	0	108.1	S316	I314-S316 VanDerWaalsContact C-N 3.33Å; I314-S316 PolarHBondContact O-N 2.93Å
315	V	42.2	Very low	57.5	Low	101 Å²	101	80.5 Å²	80.5	61%	0.612	49%	0.491	S	S	*	.			trans	-71.3	91.8	178.6	179.9	0	0	0	0	109	L291 G313 T317	L291-V315 HydrophobicContact CD2-CB 4.37Å; L291-V315 HydrophobicContact CD2-CG2 3.84Å; G313-V315 PolarHBondContact O-N 2.8Å; V315-T317 PolarHBondContact O-N 2.81Å
316	S	33.2	Very low	57.8	Low	71 Å²	71	77.5 Å²	77.5	50%	0.497	48%	0.478	S	S	.	.			trans	-64.2	119.4	161.7	53.4	0	0	0	0	107.8	I314 N318 V319	I314-S316 VanDerWaalsContact C-N 3.33Å; I314-S316 PolarHBondContact O-N 2.93Å; S316-N318 PolarHBondContact O-N 3.27Å; S316-V319 PolarHBondContact O-N 3.49Å
317	T	38.9	Very low	58.1	Low	129 Å²	129	76.6 Å²	76.6	79%	0.791	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	3.3	-171.4	52.7	0	0	0	0	115.1	V315	V315-T317 PolarHBondContact O-N 2.81Å
318	N	31.3	Very low	58.1	Low	137 Å²	137	78.3 Å²	78.3	73%	0.733	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-0.6	-170.3	-61	7.9	0	0	0	112.6	S316 V320	S316-N318 PolarHBondContact O-N 3.27Å; N318-V320 VanDerWaalsContact C-N 3.28Å; N318-V320 PolarHBondContact O-N 3.16Å
319	V	31.5	Very low	58.5	Low	106 Å²	106	77.3 Å²	77.3	64%	0.642	48%	0.478	S	S	*	.			trans	-73.9	90.5	161.2	-176.7	0	0	0	0	107.1	S316 P321	S316-V319 PolarHBondContact O-N 3.49Å; V319-P321 WeakPolarHBondContact O-CD 3.35Å
320	V	30.7	Very low	58.9	Low	128 Å²	128	77.6 Å²	77.6	78%	0.776	48%	0.484	S	S	*	.			trans	-66.6	109.7	159.9	175.8	0	0	0	0	105.8	N318 S322	N318-V320 VanDerWaalsContact C-N 3.28Å; N318-V320 PolarHBondContact O-N 3.16Å; V320-S322 PolarHBondContact O-N 2.99Å
321	P	42.1	Very low	59.7	Low	77 Å²	77	76.2 Å²	76.2	50%	0.5	48%	0.477	S	S	.	.			trans	-70.1	123	177.2	31.2	-32.2	0	0	0	106.9	V319 S323	V319-P321 WeakPolarHBondContact O-CD 3.35Å; P321-S323 PolarHBondContact O-N 3.07Å
322	S	44.8	Very low	60.6	Low	130 Å²	130	72.3 Å²	72.3	91%	0.909	45%	0.452	S	S	*	.			trans	-74.4	35.3	170.6	64.2	0	0	0	0	111.3	V320	V320-S322 PolarHBondContact O-N 2.99Å
323	S	56.9	Low	61.2	Low	21 Å²	21	76 Å²	76	15%	0.147	47%	0.467	C	S	.	.			trans	-79.3	134.9	-179.5	52.6	0	0	0	0	109.9	P321 W325 N355	P321-S323 PolarHBondContact O-N 3.07Å; S323-W325 PolarHBondContact O-N 2.77Å; S323-W325 PolarHBondContact OG-O 3.37Å; S323-N355 PolarHBondContact O-ND2 2.64Å
324	S	71.7	Confident	62.3	Low	23 Å²	23	73.6 Å²	73.6	16%	0.161	44%	0.442	C	S	.	.	S	Bend	trans	-60.5	-6.1	164.6	41.1	0	0	0	0	112.8	R354 N355 E367	S324-R354 CarbonylContact O-C 3.42Å; S324-R354 VanDerWaalsContact O-CA 3.25Å; S324-R354 WeakPolarHBondContact O-CA 3.46Å; S324-R354 WeakPolarHBondContact O-CG 3.4Å; S324-R354 PolarHBondContact OG-NH1 2.64Å; S324-N355 PolarHBondContact O-N 3.28Å; S324-E367 PolarHBondContact OG-OE1 2.97Å; S324-E367 PolarHBondContact OG-OE2 3.1Å
325	W	86.6	Confident	63.4	Low	2 Å²	2	71.6 Å²	71.6	1%	0.008	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.1	-175.1	-61	81.6	0	0	0	114	L273 F275 V294 S323 V352 K353 R354 N355 E367 L369 V397 L399	L273-W325 WeakPolarHBondContact O-CZ3 3.36Å; F275-W325 HydrophobicContact CD1-CH2 4.45Å; F275-W325 AromaticContact CD1-CZ3 3.92Å; F275-W325 HydrophobicContact CD1-CZ3 3.92Å; F275-W325 HydrophobicContact CE1-CE3 4.1Å; F275-W325 HydrophobicContact CE1-CH2 4.08Å; F275-W325 AromaticContact CE1-CZ3 3.53Å; F275-W325 HydrophobicContact CE1-CZ3 3.53Å; V294-W325 HydrophobicContact CG1-CB 3.84Å; V294-W325 HydrophobicContact CG2-CB 4.25Å; S323-W325 PolarHBondContact O-N 2.77Å; S323-W325 PolarHBondContact OG-O 3.37Å; W325-V352 HydrophobicContact CE3-CG1 3.97Å; W325-K353 CarbonylContact C-O 3.54Å; W325-K353 VanDerWaalsContact CA-O 3.28Å; W325-K353 WeakPolarHBondContact CA-O 3.24Å; W325-R354 HydrophobicContact CD2-CB 3.96Å; W325-R354 HydrophobicContact CD2-CG 4.13Å; W325-R354 HydrophobicContact CE3-CB 3.95Å; W325-R354 HydrophobicContact CH2-CB 4.01Å; W325-R354 HydrophobicContact CZ2-CB 4.01Å; W325-R354 HydrophobicContact CZ2-CG 4.09Å; W325-R354 HydrophobicContact CZ3-CB 3.97Å; W325-N355 PolarHBondContact N-ND2 3.34Å; W325-N355 PolarHBondContact O-ND2 2.96Å; W325-N355 VanDerWaalsContact O-ND2 3.14Å; W325-E367 PolarHBondContact NE1-OE2 2.87Å; W325-L369 VanDerWaalsContact CD1-CD2 3.44Å; W325-L369 HydrophobicContact CD2-CD1 3.62Å; W325-L369 HydrophobicContact CD2-CD2 4.22Å; W325-L369 HydrophobicContact CE3-CD1 3.87Å; W325-L369 HydrophobicContact CG-CD1 4.09Å; W325-L369 HydrophobicContact CG-CD2 3.97Å; W325-L369 HydrophobicContact CH2-CD1 4.13Å; W325-L369 HydrophobicContact CZ2-CD1 3.89Å; W325-L369 HydrophobicContact CZ3-CD1 4.13Å; W325-V397 HydrophobicContact CH2-CB 4.31Å; W325-V397 HydrophobicContact CH2-CG1 3.94Å; W325-V397 HydrophobicContact CH2-CG2 3.9Å; W325-V397 HydrophobicContact CZ2-CB 4.04Å; W325-V397 HydrophobicContact CZ2-CG1 3.92Å; W325-V397 HydrophobicContact CZ2-CG2 3.91Å; W325-L399 HydrophobicContact CZ2-CD2 4.48Å
326	S	84.8	Confident	64.5	Low	43 Å²	43	67.7 Å²	67.7	30%	0.301	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	164.7	169.4	54.4	0	0	0	0	110.8	V352 K353 N355	S326-V352 WeakPolarHBondContact O-CA 3.45Å; S326-K353 PolarHBondContact N-O 3.21Å; S326-K353 PolarHBondContact O-N 2.81Å; S326-N355 VanDerWaalsContact CB-OD1 3.25Å; S326-N355 WeakPolarHBondContact CB-OD1 3.13Å; S326-N355 PolarHBondContact N-OD1 3.35Å; S326-N355 PolarHBondContact OG-OD1 3.48Å
327	V	88.7	Confident	65.8	Low	13 Å²	13	67.7 Å²	67.7	8%	0.079	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.2	175.2	58.3	0	0	0	0	110.3	C292 V294 L350 T351 V352 L371	C292-V327 HydrophobicContact CB-CG1 4.34Å; C292-V327 WeakPolarHBondContact O-CG1 3.36Å; V294-V327 HydrophobicContact CG1-CB 4.33Å; V294-V327 HydrophobicContact CG1-CG1 4.39Å; V327-L350 HydrophobicContact CG2-CB 3.91Å; V327-L350 HydrophobicContact CG2-CD1 4.45Å; V327-T351 CarbonylContact C-O 3.59Å; V327-T351 WeakPolarHBondContact CA-O 3.43Å; V327-V352 HydrophobicContact CB-CG2 4.25Å; V327-V352 HydrophobicContact CG2-CG2 3.92Å; V327-L371 HydrophobicContact CB-CD1 4.28Å; V327-L371 HydrophobicContact CG1-CD1 4.29Å; V327-L371 HydrophobicContact CG2-CD1 4Å
328	T	81.7	Confident	66.7	Low	78 Å²	78	62.5 Å²	62.5	48%	0.479	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.1	-178.1	52.9	0	0	0	0	112	T351	T328-T351 PolarHBondContact N-O 2.87Å; T328-T351 PolarHBondContact O-N 2.61Å; T328-T351 PolarHBondContact OG1-O 3.45Å
329	P	83.9	Confident	67.7	Low	61 Å²	61	57.7 Å²	57.7	40%	0.396	35%	0.345	S	S	.	.	S	Bend	cis	-68.6	141.3	-12.1	32	-35.7	0	0	0	111.3	N332 L350	P329-N332 WeakPolarHBondContact CG-OD1 3.46Å; P329-N332 PolarHBondContact O-ND2 2.88Å; P329-N332 VanDerWaalsContact O-ND2 3.08Å; P329-L350 HydrophobicContact CG-CD2 4.49Å; P329-L350 WeakPolarHBondContact O-CD2 3.26Å
330	S	83.5	Confident	68.8	Low	60 Å²	60	57.5 Å²	57.5	42%	0.42	35%	0.348	S	S	.	.	S	Bend	trans	-74.8	-44.3	174.9	52.1	0	0	0	0	111.5	L291 C292 N332	L291-S330 CarbonylContact C-O 3.49Å; L291-S330 WeakPolarHBondContact CA-O 3.17Å; C292-S330 PolarHBondContact N-O 3.4Å; S330-N332 PolarHBondContact O-ND2 2.71Å
331	L	85.6	Confident	69.8	Low	88 Å²	88	54.8 Å²	54.8	46%	0.461	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.4	173	-177.9	63.2	0	0	0	111	L291 T376	L291-L331 HydrophobicContact CB-CD1 4.49Å; L291-L331 HydrophobicContact CD1-CB 4.38Å; L331-T376 HydrophobicContact CD1-CG2 4.03Å
332	N	85.5	Confident	70.4	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	100.6	-178	-68.9	-96	0	0	0	109	L279 V290 P329 S330 F334 R348 L350	L279-N332 HydrophobicContact CD2-CB 3.85Å; V290-N332 HydrophobicContact CB-CB 4.31Å; V290-N332 PolarHBondContact N-O 3.01Å; V290-N332 WeakPolarHBondContact O-CB 3.37Å; V290-N332 PolarHBondContact O-N 3.11Å; P329-N332 WeakPolarHBondContact CG-OD1 3.46Å; P329-N332 PolarHBondContact O-ND2 2.88Å; P329-N332 VanDerWaalsContact O-ND2 3.08Å; S330-N332 PolarHBondContact O-ND2 2.71Å; N332-F334 HydrophobicContact CB-CE2 4.03Å; N332-R348 HydrophobicContact CB-CG 4.23Å; N332-R348 VanDerWaalsContact OD1-CB 3.24Å; N332-R348 WeakPolarHBondContact OD1-CB 3.35Å; N332-R348 WeakPolarHBondContact OD1-CG 3.29Å; N332-L350 WeakPolarHBondContact ND2-CD2 3.22Å
333	E	79.8	Confident	70.2	Confident	104 Å²	104	61.1 Å²	61.1	49%	0.486	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.3	171.2	-71.2	-175.7	-159.5	0	0	110.7	R335 R348	E333-R335 IonicContact OE2-CZ 3.7Å; E333-R335 IonicContact OE2-NE 2.77Å; E333-R335 IonicContact OE2-NH2 3.24Å; E333-R335 PolarHBondContact OE2-NH2 3.42Å; E333-R348 PolarHBondContact O-NE 3.13Å; E333-R348 PolarHBondContact O-NH2 3.16Å
334	F	76.2	Confident	69.9	Low	1 Å²	1	62.2 Å²	62.2	0%	0.004	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.8	168.9	-57.3	-101.1	0	0	0	108.2	L279 L281 L284 L288 V290 N332 I339 R348	L279-F334 HydrophobicContact CD2-CE2 4.26Å; L279-F334 HydrophobicContact CD2-CZ 4.12Å; L279-F334 HydrophobicContact CG-CZ 4.46Å; L281-F334 HydrophobicContact CB-CD1 4.34Å; L281-F334 HydrophobicContact CB-CE1 3.94Å; L281-F334 HydrophobicContact CB-CZ 4.02Å; L281-F334 HydrophobicContact CD2-CB 3.81Å; L281-F334 HydrophobicContact CD2-CD1 3.75Å; L281-F334 HydrophobicContact CD2-CD2 3.54Å; L281-F334 HydrophobicContact CD2-CE1 4.06Å; L281-F334 HydrophobicContact CD2-CE2 3.9Å; L281-F334 HydrophobicContact CD2-CG 3.45Å; L281-F334 VanDerWaalsContact CD2-CG 3.45Å; L281-F334 HydrophobicContact CD2-CZ 4.13Å; L284-F334 HydrophobicContact CD1-CB 3.75Å; L288-F334 PolarHBondContact N-O 3.38Å; L288-F334 PolarHBondContact O-N 3.18Å; V290-F334 HydrophobicContact CB-CE2 4.24Å; V290-F334 HydrophobicContact CG2-CD2 4.21Å; V290-F334 HydrophobicContact CG2-CE2 3.85Å; N332-F334 HydrophobicContact CB-CE2 4.03Å; F334-I339 HydrophobicContact CB-CD1 4.31Å; F334-R348 HydrophobicContact CD1-CG 4.49Å; F334-R348 HydrophobicContact CE1-CG 3.6Å; F334-R348 HydrophobicContact CE2-CG 4.2Å; F334-R348 HydrophobicContact CZ-CB 4.4Å; F334-R348 HydrophobicContact CZ-CG 3.43Å; F334-R348 VanDerWaalsContact CZ-CG 3.43Å
335	R	70.9	Confident	69.6	Low	126 Å²	126	63.4 Å²	63.4	48%	0.475	35%	0.353	S	S	.	.			trans	-112.3	127.3	179.9	-56.6	-175	-173.7	-173.4	-1.2	111.2	D287 E333 S337 S338 I339	D287-R335 HydrophobicContact CB-CG 4.38Å; D287-R335 VanDerWaalsContact OD1-CA 3.24Å; D287-R335 WeakPolarHBondContact OD1-CA 3.39Å; D287-R335 WeakPolarHBondContact OD1-CB 3.37Å; D287-R335 WeakPolarHBondContact OD2-CG 3.43Å; E333-R335 IonicContact OE2-CZ 3.7Å; E333-R335 IonicContact OE2-NE 2.77Å; E333-R335 IonicContact OE2-NH2 3.24Å; E333-R335 PolarHBondContact OE2-NH2 3.42Å; R335-S337 PolarHBondContact O-N 3.08Å; R335-S338 WeakPolarHBondContact CB-OG 3.05Å; R335-S338 PolarHBondContact O-N 2.88Å; R335-S338 PolarHBondContact O-OG 2.91Å; R335-I339 WeakPolarHBondContact O-CD1 3.28Å; R335-I339 WeakPolarHBondContact O-CG1 3.03Å; R335-I339 PolarHBondContact O-N 2.86Å
336	A	65.7	Low	68.9	Low	19 Å²	19	66 Å²	66	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-63.6	-31.5	179.6	0	0	0	0	0	111.1	L284 D287 S340	L284-A336 HydrophobicContact CB-CB 4.48Å; D287-A336 PolarHBondContact OD1-N 3.06Å; A336-S340 VanDerWaalsContact O-CB 3.32Å; A336-S340 WeakPolarHBondContact O-CB 3.49Å; A336-S340 PolarHBondContact O-N 2.04Å; A336-S340 PolarHBondContact O-OG 3.37Å
337	S	61.2	Low	68.5	Low	71 Å²	71	66.3 Å²	66.3	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-50.6	174.2	52.1	0	0	0	0	113	R335 S340 S341	R335-S337 PolarHBondContact O-N 3.08Å; S337-S340 PolarHBondContact O-N 2.83Å; S337-S340 PolarHBondContact O-OG 3.17Å; S337-S341 PolarHBondContact O-N 2.76Å; S337-S341 PolarHBondContact O-OG 2.84Å; S337-S341 VanDerWaalsContact O-OG 3.09Å
338	S	56.6	Low	68	Low	21 Å²	21	68 Å²	68	15%	0.147	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-39.1	178.7	52.2	0	0	0	0	112.2	R335 S340 S341 R342 T343 D344	R335-S338 WeakPolarHBondContact CB-OG 3.05Å; R335-S338 PolarHBondContact O-N 2.88Å; R335-S338 PolarHBondContact O-OG 2.91Å; S338-S340 PolarHBondContact O-N 2.84Å; S338-S341 WeakPolarHBondContact CA-OG 3.45Å; S338-S341 CarbonylContact O-C 3.51Å; S338-S341 PolarHBondContact O-N 3.19Å; S338-S341 PolarHBondContact O-OG 2.58Å; S338-R342 PolarHBondContact O-N 2.94Å; S338-R342 VanDerWaalsContact O-N 3.1Å; S338-T343 VanDerWaalsContact CA-OG1 3.3Å; S338-T343 WeakPolarHBondContact CA-OG1 3.26Å; S338-T343 WeakPolarHBondContact CB-OG1 3.14Å; S338-T343 PolarHBondContact O-N 3.21Å; S338-T343 PolarHBondContact O-OG1 3.14Å; S338-D344 VanDerWaalsContact CB-CB 3.46Å; S338-D344 WeakPolarHBondContact OG-CB 3.34Å; S338-D344 PolarHBondContact OG-OD2 2.89Å; S338-D344 VanDerWaalsContact OG-OD2 3.09Å
339	I	53.1	Low	68	Low	36 Å²	36	68.1 Å²	68.1	19%	0.185	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-39.9	175.5	-71.6	158.2	0	0	0	111.4	L284 F334 R335 S341 R342 D344 L346	L284-I339 HydrophobicContact CD1-CD1 3.35Å; F334-I339 HydrophobicContact CB-CD1 4.31Å; R335-I339 WeakPolarHBondContact O-CD1 3.28Å; R335-I339 WeakPolarHBondContact O-CG1 3.03Å; R335-I339 PolarHBondContact O-N 2.86Å; I339-S341 PolarHBondContact O-N 3.5Å; I339-R342 PolarHBondContact O-N 2.81Å; I339-D344 HydrophobicContact CG1-CB 4.14Å; I339-L346 HydrophobicContact CD1-CD2 3.66Å; I339-L346 HydrophobicContact CG1-CD2 4.31Å; I339-L346 HydrophobicContact CG2-CD2 4.06Å; I339-L346 HydrophobicContact CG2-CG 4.4Å
340	S	54.5	Low	68.1	Low	101 Å²	101	65.2 Å²	65.2	71%	0.706	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-27.6	176	74.8	0	0	0	0	113.2	A336 S337 S338	A336-S340 VanDerWaalsContact O-CB 3.32Å; A336-S340 WeakPolarHBondContact O-CB 3.49Å; A336-S340 PolarHBondContact O-N 2.04Å; A336-S340 PolarHBondContact O-OG 3.37Å; S337-S340 PolarHBondContact O-N 2.83Å; S337-S340 PolarHBondContact O-OG 3.17Å; S338-S340 PolarHBondContact O-N 2.84Å
341	S	52.1	Low	68.1	Low	71 Å²	71	63.8 Å²	63.8	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.2	173.4	52.4	0	0	0	0	114.1	S337 S338 I339 T343	S337-S341 PolarHBondContact O-N 2.76Å; S337-S341 PolarHBondContact O-OG 2.84Å; S337-S341 VanDerWaalsContact O-OG 3.09Å; S338-S341 WeakPolarHBondContact CA-OG 3.45Å; S338-S341 CarbonylContact O-C 3.51Å; S338-S341 PolarHBondContact O-N 3.19Å; S338-S341 PolarHBondContact O-OG 2.58Å; I339-S341 PolarHBondContact O-N 3.5Å; S341-T343 PolarHBondContact O-N 3.14Å; S341-T343 PolarHBondContact OG-OG1 3.24Å
342	R	53.8	Low	68	Low	235 Å²	235	59.6 Å²	59.6	89%	0.887	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	22.2	-174.5	-56.5	-175.1	175.3	-157.9	0.6	115.1	S338 I339	S338-R342 PolarHBondContact O-N 2.94Å; S338-R342 VanDerWaalsContact O-N 3.1Å; I339-R342 PolarHBondContact O-N 2.81Å
343	T	41.3	Very low	67.9	Low	106 Å²	106	64 Å²	64	65%	0.65	34%	0.336	S	S	*	.			trans	-91.9	-0.5	-179.7	53.2	0	0	0	0	113.8	S338 S341	S338-T343 VanDerWaalsContact CA-OG1 3.3Å; S338-T343 WeakPolarHBondContact CA-OG1 3.26Å; S338-T343 WeakPolarHBondContact CB-OG1 3.14Å; S338-T343 PolarHBondContact O-N 3.21Å; S338-T343 PolarHBondContact O-OG1 3.14Å; S341-T343 PolarHBondContact O-N 3.14Å; S341-T343 PolarHBondContact OG-OG1 3.24Å
344	D	51.2	Low	68	Low	44 Å²	44	59.9 Å²	59.9	24%	0.235	32%	0.316	C	S	.	.	S	Bend	trans	-147.3	147.5	-178.7	-176.7	11.9	0	0	0	110.3	S338 I339 R348	S338-D344 VanDerWaalsContact CB-CB 3.46Å; S338-D344 WeakPolarHBondContact OG-CB 3.34Å; S338-D344 PolarHBondContact OG-OD2 2.89Å; S338-D344 VanDerWaalsContact OG-OD2 3.09Å; I339-D344 HydrophobicContact CG1-CB 4.14Å; D344-R348 VanDerWaalsContact CG-NH2 3.3Å; D344-R348 IonicContact OD1-CZ 2.66Å; D344-R348 IonicContact OD1-NH1 3.41Å; D344-R348 PolarHBondContact OD1-NH1 2.91Å; D344-R348 IonicContact OD1-NH2 3.08Å; D344-R348 PolarHBondContact OD1-NH2 2.92Å; D344-R348 IonicContact OD2-NH2 3.95Å; D344-R348 PolarHBondContact OD2-NH2 3.22Å; D344-R348 VanDerWaalsContact OD2-NH2 3.12Å
345	S	65.3	Low	68.1	Low	47 Å²	47	64.3 Å²	64.3	33%	0.329	34%	0.34	S	S	.	.			trans	-91.3	149.1	-176	60.3	0	0	0	0	112.9	T347 R348	S345-T347 PolarHBondContact O-N 3.45Å; S345-T347 PolarHBondContact OG-O 2.82Å; S345-R348 PolarHBondContact O-NH1 3.27Å; S345-R348 PolarHBondContact OG-NH1 2.84Å
346	L	70.4	Confident	68.3	Low	56 Å²	56	61.7 Å²	61.7	29%	0.293	34%	0.341	S	S	.	.	S	Bend	trans	-76.5	6.9	167.9	-69.2	173.7	0	0	0	113.1	F280 L281 L284 I339	F280-L346 WeakPolarHBondContact CA-O 3.25Å; F280-L346 HydrophobicContact CD2-CB 4.28Å; F280-L346 WeakPolarHBondContact CD2-O 2.99Å; F280-L346 HydrophobicContact CE2-CB 3.88Å; L281-L346 PolarHBondContact N-O 2.99Å; L281-L346 WeakPolarHBondContact O-CD2 3.31Å; L284-L346 HydrophobicContact CD1-CD2 4.16Å; I339-L346 HydrophobicContact CD1-CD2 3.66Å; I339-L346 HydrophobicContact CG1-CD2 4.31Å; I339-L346 HydrophobicContact CG2-CD2 4.06Å; I339-L346 HydrophobicContact CG2-CG 4.4Å
347	T	76.9	Confident	68.3	Low	50 Å²	50	69.8 Å²	69.8	31%	0.307	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.7	-178.3	46.7	0	0	0	0	111.4	L278 L279 F280 S345	L278-T347 HydrophobicContact CD1-CG2 4.19Å; L278-T347 HydrophobicContact CD2-CG2 4.41Å; L279-T347 CarbonylContact O-C 3.55Å; L279-T347 WeakPolarHBondContact O-CA 2.98Å; F280-T347 HydrophobicContact CD2-CG2 3.82Å; S345-T347 PolarHBondContact O-N 3.45Å; S345-T347 PolarHBondContact OG-O 2.82Å
348	R	79.6	Confident	68.5	Low	50 Å²	50	67 Å²	67	19%	0.189	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.7	167.2	-57.1	-72.2	-177.9	-110.6	6.2	108.8	L279 N332 E333 F334 D344 S345	L279-R348 HydrophobicContact CB-CB 4.26Å; L279-R348 HydrophobicContact CD2-CB 4.31Å; L279-R348 PolarHBondContact N-O 3.42Å; L279-R348 PolarHBondContact O-N 3.31Å; N332-R348 HydrophobicContact CB-CG 4.23Å; N332-R348 VanDerWaalsContact OD1-CB 3.24Å; N332-R348 WeakPolarHBondContact OD1-CB 3.35Å; N332-R348 WeakPolarHBondContact OD1-CG 3.29Å; E333-R348 PolarHBondContact O-NE 3.13Å; E333-R348 PolarHBondContact O-NH2 3.16Å; F334-R348 HydrophobicContact CD1-CG 4.49Å; F334-R348 HydrophobicContact CE1-CG 3.6Å; F334-R348 HydrophobicContact CE2-CG 4.2Å; F334-R348 HydrophobicContact CZ-CB 4.4Å; F334-R348 HydrophobicContact CZ-CG 3.43Å; F334-R348 VanDerWaalsContact CZ-CG 3.43Å; D344-R348 VanDerWaalsContact CG-NH2 3.3Å; D344-R348 IonicContact OD1-CZ 2.66Å; D344-R348 IonicContact OD1-NH1 3.41Å; D344-R348 PolarHBondContact OD1-NH1 2.91Å; D344-R348 IonicContact OD1-NH2 3.08Å; D344-R348 PolarHBondContact OD1-NH2 2.92Å; D344-R348 IonicContact OD2-NH2 3.95Å; D344-R348 PolarHBondContact OD2-NH2 3.22Å; D344-R348 VanDerWaalsContact OD2-NH2 3.12Å; S345-R348 PolarHBondContact O-NH1 3.27Å; S345-R348 PolarHBondContact OG-NH1 2.84Å
349	L	81.7	Confident	68.9	Low	80 Å²	80	69.9 Å²	69.9	42%	0.419	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.8	-179.3	-170.7	62.9	0	0	0	109.6	Q276	Q276-L349 HydrophobicContact CB-CD1 3.95Å; Q276-L349 HydrophobicContact CB-CG 4.47Å; Q276-L349 HydrophobicContact CG-CD1 4.32Å; Q276-L349 HydrophobicContact CG-CG 4.32Å
350	L	84.4	Confident	69.2	Low	0 Å²	0	73 Å²	73	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118	178.4	-53.6	178.5	0	0	0	109.1	L263 Q276 V277 L279 C292 V327 P329 N332 L371	L263-L350 HydrophobicContact CD2-CD1 3.72Å; Q276-L350 CarbonylContact C-O 3.52Å; Q276-L350 VanDerWaalsContact CA-O 3.25Å; Q276-L350 WeakPolarHBondContact CA-O 3.41Å; V277-L350 PolarHBondContact N-O 2.79Å; V277-L350 WeakPolarHBondContact O-CB 3.47Å; V277-L350 PolarHBondContact O-N 2.67Å; L279-L350 HydrophobicContact CB-CD1 3.92Å; L279-L350 HydrophobicContact CB-CD2 4.41Å; L279-L350 HydrophobicContact CB-CG 3.94Å; L279-L350 HydrophobicContact CD1-CD1 4.44Å; L279-L350 HydrophobicContact CD2-CD1 4.48Å; L279-L350 HydrophobicContact CD2-CD2 4.32Å; C292-L350 HydrophobicContact CB-CD1 4.25Å; V327-L350 HydrophobicContact CG2-CB 3.91Å; V327-L350 HydrophobicContact CG2-CD1 4.45Å; P329-L350 HydrophobicContact CG-CD2 4.49Å; P329-L350 WeakPolarHBondContact O-CD2 3.26Å; N332-L350 WeakPolarHBondContact ND2-CD2 3.22Å; L350-L371 HydrophobicContact CD1-CD2 4.15Å
351	T	83.2	Confident	69.4	Low	29 Å²	29	76 Å²	76	18%	0.178	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.4	167.7	-59.8	0	0	0	0	108.8	Q274 F275 V327 T328	Q274-T351 HydrophobicContact CG-CG2 3.89Å; F275-T351 WeakPolarHBondContact O-CA 3.42Å; V327-T351 CarbonylContact C-O 3.59Å; V327-T351 WeakPolarHBondContact CA-O 3.43Å; T328-T351 PolarHBondContact N-O 2.87Å; T328-T351 PolarHBondContact O-N 2.61Å; T328-T351 PolarHBondContact OG1-O 3.45Å
352	V	85.5	Confident	69.7	Low	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.8	173.2	-175.8	0	0	0	0	108	Q274 F275 V277 V294 W325 S326 V327 L371	Q274-V352 WeakPolarHBondContact CA-O 3.15Å; F275-V352 HydrophobicContact CD1-CB 4.21Å; F275-V352 HydrophobicContact CD1-CG1 4.45Å; F275-V352 HydrophobicContact CD2-CB 4Å; F275-V352 HydrophobicContact CD2-CG2 4.4Å; F275-V352 HydrophobicContact CE1-CB 3.8Å; F275-V352 HydrophobicContact CE1-CG1 3.63Å; F275-V352 HydrophobicContact CE2-CB 3.56Å; F275-V352 HydrophobicContact CE2-CG1 3.98Å; F275-V352 HydrophobicContact CE2-CG2 3.81Å; F275-V352 HydrophobicContact CG-CB 4.31Å; F275-V352 HydrophobicContact CZ-CB 3.45Å; F275-V352 VanDerWaalsContact CZ-CB 3.45Å; F275-V352 HydrophobicContact CZ-CG1 3.34Å; F275-V352 HydrophobicContact CZ-CG2 4.06Å; F275-V352 PolarHBondContact N-O 2.92Å; F275-V352 PolarHBondContact O-N 2.58Å; V277-V352 HydrophobicContact CG2-CG2 4.1Å; V294-V352 HydrophobicContact CB-CG1 4.47Å; V294-V352 HydrophobicContact CG1-CG1 4.43Å; V294-V352 HydrophobicContact CG2-CG1 4.14Å; W325-V352 HydrophobicContact CE3-CG1 3.97Å; S326-V352 WeakPolarHBondContact O-CA 3.45Å; V327-V352 HydrophobicContact CB-CG2 4.25Å; V327-V352 HydrophobicContact CG2-CG2 3.92Å; V352-L371 HydrophobicContact CG2-CD1 4.42Å; V352-L371 HydrophobicContact CG2-CD2 4.09Å
353	K	81.9	Confident	70	Confident	96 Å²	96	69.3 Å²	69.3	42%	0.417	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.2	-169.1	-178.5	173.1	-174.4	141	0	112.4	Q274 W325 S326	Q274-K353 HydrophobicContact CB-CG 4.26Å; Q274-K353 HydrophobicContact CG-CB 4.12Å; Q274-K353 HydrophobicContact CG-CD 4.41Å; Q274-K353 HydrophobicContact CG-CG 4.16Å; Q274-K353 VanDerWaalsContact OE1-CD 3.3Å; W325-K353 CarbonylContact C-O 3.54Å; W325-K353 VanDerWaalsContact CA-O 3.28Å; W325-K353 WeakPolarHBondContact CA-O 3.24Å; S326-K353 PolarHBondContact N-O 3.21Å; S326-K353 PolarHBondContact O-N 2.81Å
354	R	82.1	Confident	71.1	Confident	19 Å²	19	69.3 Å²	69.3	7%	0.072	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124.6	170	-155.1	-176.3	174.8	81.4	-2.9	110.2	L273 S324 W325 S356 E367	L273-R354 HydrophobicContact CB-CB 4.15Å; L273-R354 WeakPolarHBondContact O-CB 3.35Å; L273-R354 PolarHBondContact O-N 2.88Å; S324-R354 CarbonylContact O-C 3.42Å; S324-R354 VanDerWaalsContact O-CA 3.25Å; S324-R354 WeakPolarHBondContact O-CA 3.46Å; S324-R354 WeakPolarHBondContact O-CG 3.4Å; S324-R354 PolarHBondContact OG-NH1 2.64Å; W325-R354 HydrophobicContact CD2-CB 3.96Å; W325-R354 HydrophobicContact CD2-CG 4.13Å; W325-R354 HydrophobicContact CE3-CB 3.95Å; W325-R354 HydrophobicContact CH2-CB 4.01Å; W325-R354 HydrophobicContact CZ2-CB 4.01Å; W325-R354 HydrophobicContact CZ2-CG 4.09Å; W325-R354 HydrophobicContact CZ3-CB 3.97Å; R354-S356 VanDerWaalsContact C-N 3.27Å; R354-S356 WeakPolarHBondContact CD-O 3.37Å; R354-S356 WeakPolarHBondContact CG-O 3.37Å; R354-S356 PolarHBondContact NE-O 3.06Å; R354-S356 PolarHBondContact O-N 2.88Å; R354-E367 IonicContact CZ-OE1 3.95Å; R354-E367 VanDerWaalsContact CZ-OE1 3.28Å; R354-E367 IonicContact CZ-OE2 3.28Å; R354-E367 IonicContact NH1-OE1 2.94Å; R354-E367 PolarHBondContact NH1-OE1 3.05Å; R354-E367 IonicContact NH1-OE2 2.9Å; R354-E367 PolarHBondContact NH1-OE2 3.41Å; R354-E367 IonicContact NH2-OE1 2.75Å; R354-E367 PolarHBondContact NH2-OE1 2.83Å; R354-E367 IonicContact NH2-OE2 2.74Å
355	N	79.2	Confident	72	Confident	94 Å²	94	69.7 Å²	69.7	50%	0.503	36%	0.363	S	S	.	.	S	Bend	trans	-67.3	-26.9	-178.2	-61.1	-29.4	0	0	0	112.4	S323 S324 W325 S326	S323-N355 PolarHBondContact O-ND2 2.64Å; S324-N355 PolarHBondContact O-N 3.28Å; W325-N355 PolarHBondContact N-ND2 3.34Å; W325-N355 PolarHBondContact O-ND2 2.96Å; W325-N355 VanDerWaalsContact O-ND2 3.14Å; S326-N355 VanDerWaalsContact CB-OD1 3.25Å; S326-N355 WeakPolarHBondContact CB-OD1 3.13Å; S326-N355 PolarHBondContact N-OD1 3.35Å; S326-N355 PolarHBondContact OG-OD1 3.48Å
356	S	73.7	Confident	72.6	Confident	70 Å²	70	72.1 Å²	72.1	49%	0.49	37%	0.37	S	S	.	.	S	Bend	trans	-141.4	146.7	179	54.6	0	0	0	0	111.2	R354	R354-S356 VanDerWaalsContact C-N 3.27Å; R354-S356 WeakPolarHBondContact CD-O 3.37Å; R354-S356 WeakPolarHBondContact CG-O 3.37Å; R354-S356 PolarHBondContact NE-O 3.06Å; R354-S356 PolarHBondContact O-N 2.88Å
357	Y	65.8	Low	73.3	Confident	189 Å²	189	70.6 Å²	70.6	74%	0.741	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.2	145	172.4	-72	-84.6	0	0	0	110.8	L273	L273-Y357 HydrophobicContact CD1-CD1 3.55Å; L273-Y357 HydrophobicContact CD1-CE1 3.97Å
358	P	66.3	Low	73.7	Confident	14 Å²	14	69 Å²	69	9%	0.091	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-60.4	136.5	169.8	26.9	-33.7	0	0	0	110.5	L273 L399 K400	L273-P358 HydrophobicContact CD1-CG 4.26Å; L273-P358 HydrophobicContact CD2-CG 4.38Å; P358-L399 HydrophobicContact CB-CB 4.18Å; P358-L399 HydrophobicContact CB-CD1 4.38Å; P358-L399 HydrophobicContact CG-CB 4.37Å; P358-K400 VanDerWaalsContact CG-O 3.26Å; P358-K400 WeakPolarHBondContact CG-O 3.41Å
359	T	64.4	Low	74.1	Confident	80 Å²	80	66.7 Å²	66.7	49%	0.491	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-75.1	169	165.4	60	0	0	0	0	109.6	E361 Y362	T359-E361 PolarHBondContact O-N 3.17Å; T359-Y362 PolarHBondContact O-N 3.43Å; T359-Y362 VanDerWaalsContact OG1-CD2 3.29Å; T359-Y362 WeakPolarHBondContact OG1-CD2 3.22Å
360	S	59.7	Low	74.4	Confident	103 Å²	103	62.9 Å²	62.9	72%	0.72	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-60.1	-13.1	177.3	52.3	0	0	0	0	114.5	Y362	S360-Y362 VanDerWaalsContact C-N 3.29Å
361	E	59.1	Low	74.6	Confident	164 Å²	164	62.9 Å²	62.9	77%	0.766	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-74.6	-17.4	174.8	-167.1	170	-151	0	0	113	T359	T359-E361 PolarHBondContact O-N 3.17Å
362	Y	58.8	Low	74.9	Confident	100 Å²	100	62.3 Å²	62.3	39%	0.392	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-103.9	10.2	-179.1	-66.4	-96.5	0	0	0	113.1	T359 S360 N364 T365 L399	T359-Y362 PolarHBondContact O-N 3.43Å; T359-Y362 VanDerWaalsContact OG1-CD2 3.29Å; T359-Y362 WeakPolarHBondContact OG1-CD2 3.22Å; S360-Y362 VanDerWaalsContact C-N 3.29Å; Y362-N364 PolarHBondContact O-N 2.99Å; Y362-T365 WeakPolarHBondContact O-CB 3.21Å; Y362-T365 PolarHBondContact O-N 3.12Å; Y362-T365 PolarHBondContact O-OG1 2.85Å; Y362-L399 HydrophobicContact CD1-CD1 4.16Å; Y362-L399 HydrophobicContact CG-CD1 4.47Å
363	D	59.6	Low	75	Confident	64 Å²	64	62.3 Å²	62.3	34%	0.342	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	128.5	-173.6	-146.7	-4.7	0	0	0	111.9	T365 K400 S401	D363-T365 PolarHBondContact O-N 3.05Å; D363-K400 VanDerWaalsContact OD1-CA 3.3Å; D363-K400 WeakPolarHBondContact OD1-CA 3.32Å; D363-S401 PolarHBondContact OD1-N 3.48Å; D363-S401 WeakPolarHBondContact OD2-CB 3.19Å; D363-S401 PolarHBondContact OD2-OG 3.19Å
364	N	64.6	Low	75.2	Confident	107 Å²	107	58.6 Å²	58.6	57%	0.572	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	22.2	-168.5	-51.1	-70.2	0	0	0	115.6	Y362 L399	Y362-N364 PolarHBondContact O-N 2.99Å; N364-L399 WeakPolarHBondContact CA-O 3.45Å; N364-L399 PolarHBondContact N-O 3.11Å
365	T	69.9	Low	75.1	Confident	52 Å²	52	58.1 Å²	58.1	32%	0.319	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.9	170.9	62.6	0	0	0	0	111.6	Y362 D363 L399	Y362-T365 WeakPolarHBondContact O-CB 3.21Å; Y362-T365 PolarHBondContact O-N 3.12Å; Y362-T365 PolarHBondContact O-OG1 2.85Å; D363-T365 PolarHBondContact O-N 3.05Å; T365-L399 WeakPolarHBondContact O-CB 3.46Å; T365-L399 PolarHBondContact O-N 3.03Å
366	M	78.8	Confident	74.8	Confident	97 Å²	97	56.4 Å²	56.4	48%	0.478	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.3	173.7	-70.3	-67	-63.3	0	0	110.3	N396 V397 L398	M366-N396 HydrophobicContact CE-CB 3.44Å; M366-N396 VanDerWaalsContact CE-CB 3.44Å; M366-N396 WeakPolarHBondContact CE-O 3.43Å; M366-V397 WeakPolarHBondContact CA-O 3.4Å; M366-L398 HydrophobicContact CG-CD1 3.95Å; M366-L398 WeakPolarHBondContact SD-CA 3.46Å; M366-L398 HydrophobicContact SD-CB 3.54Å; M366-L398 VanDerWaalsContact SD-CB 3.54Å; M366-L398 HydrophobicContact SD-CD1 3.45Å; M366-L398 WeakPolarHBondContact SD-CD1 3.36Å; M366-L398 HydrophobicContact SD-CG 4.09Å
367	E	83.7	Confident	74.2	Confident	25 Å²	25	55.1 Å²	55.1	12%	0.117	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.6	165.9	-81.4	-175.8	-161.8	0	0	110.3	V296 S324 W325 R354 L369 N396 V397 L399	V296-E367 HydrophobicContact CG1-CB 4.2Å; V296-E367 HydrophobicContact CG1-CG 4.09Å; S324-E367 PolarHBondContact OG-OE1 2.97Å; S324-E367 PolarHBondContact OG-OE2 3.1Å; W325-E367 PolarHBondContact NE1-OE2 2.87Å; R354-E367 IonicContact CZ-OE1 3.95Å; R354-E367 VanDerWaalsContact CZ-OE1 3.28Å; R354-E367 IonicContact CZ-OE2 3.28Å; R354-E367 IonicContact NH1-OE1 2.94Å; R354-E367 PolarHBondContact NH1-OE1 3.05Å; R354-E367 IonicContact NH1-OE2 2.9Å; R354-E367 PolarHBondContact NH1-OE2 3.41Å; R354-E367 IonicContact NH2-OE1 2.75Å; R354-E367 PolarHBondContact NH2-OE1 2.83Å; R354-E367 IonicContact NH2-OE2 2.74Å; E367-L369 HydrophobicContact CB-CD2 4.28Å; E367-N396 CarbonylContact O-C 3.58Å; E367-N396 WeakPolarHBondContact O-CA 3.23Å; E367-V397 PolarHBondContact N-O 3.16Å; E367-V397 PolarHBondContact O-N 2.86Å; E367-L399 HydrophobicContact CG-CD1 4.03Å
368	I	84.7	Confident	73.5	Confident	17 Å²	17	52.9 Å²	52.9	9%	0.087	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.3	174	-57.8	166.2	0	0	0	108.2	A297 A303 I370 R394 N396	A297-I368 HydrophobicContact CB-CB 4.17Å; A297-I368 HydrophobicContact CB-CG2 4.22Å; A297-I368 PolarHBondContact N-O 2.88Å; A303-I368 HydrophobicContact CB-CD1 4.34Å; A303-I368 HydrophobicContact CB-CG2 3.67Å; I368-I370 HydrophobicContact CG2-CD1 4.09Å; I368-R394 HydrophobicContact CG2-CG 4.33Å; I368-N396 WeakPolarHBondContact CG2-OD1 3.36Å
369	L	88.2	Confident	72.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.5	176.3	-45.5	179.8	0	0	0	109.8	F275 V294 N295 V296 W325 E367 R394 I395 V397	F275-L369 HydrophobicContact CE1-CD1 3.85Å; F275-L369 HydrophobicContact CZ-CD1 3.91Å; V294-L369 HydrophobicContact CG2-CB 4.05Å; N295-L369 CarbonylContact O-C 3.59Å; N295-L369 WeakPolarHBondContact O-CA 3.42Å; V296-L369 HydrophobicContact CB-CD2 4.45Å; V296-L369 HydrophobicContact CG1-CD2 4.34Å; V296-L369 HydrophobicContact CG2-CD2 3.88Å; W325-L369 VanDerWaalsContact CD1-CD2 3.44Å; W325-L369 HydrophobicContact CD2-CD1 3.62Å; W325-L369 HydrophobicContact CD2-CD2 4.22Å; W325-L369 HydrophobicContact CE3-CD1 3.87Å; W325-L369 HydrophobicContact CG-CD1 4.09Å; W325-L369 HydrophobicContact CG-CD2 3.97Å; W325-L369 HydrophobicContact CH2-CD1 4.13Å; W325-L369 HydrophobicContact CZ2-CD1 3.89Å; W325-L369 HydrophobicContact CZ3-CD1 4.13Å; E367-L369 HydrophobicContact CB-CD2 4.28Å; L369-R394 WeakPolarHBondContact O-CA 3.47Å; L369-I395 WeakPolarHBondContact CA-O 3.18Å; L369-I395 HydrophobicContact CB-CB 4.24Å; L369-I395 VanDerWaalsContact CB-O 3.31Å; L369-I395 WeakPolarHBondContact CB-O 3.43Å; L369-I395 WeakPolarHBondContact CG-O 3.32Å; L369-I395 PolarHBondContact N-O 2.98Å; L369-I395 PolarHBondContact O-N 2.83Å; L369-V397 HydrophobicContact CD1-CG2 3.55Å; L369-V397 HydrophobicContact CG-CG2 4.07Å
370	I	88.5	Confident	71.5	Confident	1 Å²	1	58 Å²	58	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.6	168.1	-51.6	-55.4	0	0	0	107.6	N295 A303 L306 L307 I368 T392 S393 R394	N295-I370 PolarHBondContact N-O 3.02Å; N295-I370 PolarHBondContact O-N 3.05Å; A303-I370 HydrophobicContact CB-CD1 4.23Å; L306-I370 HydrophobicContact CB-CB 4.25Å; L306-I370 HydrophobicContact CB-CG1 3.92Å; L306-I370 HydrophobicContact CB-CG2 4.14Å; L306-I370 HydrophobicContact CD1-CB 4.39Å; L306-I370 HydrophobicContact CD1-CG1 4.07Å; L307-I370 HydrophobicContact CD1-CD1 4.11Å; L307-I370 HydrophobicContact CD2-CD1 4.05Å; L307-I370 HydrophobicContact CD2-CG2 4.16Å; L307-I370 HydrophobicContact CG-CD1 3.86Å; I368-I370 HydrophobicContact CG2-CD1 4.09Å; I370-T392 HydrophobicContact CG2-CG2 4.5Å; I370-S393 WeakPolarHBondContact CA-O 3.47Å; I370-R394 HydrophobicContact CD1-CB 4.1Å; I370-R394 HydrophobicContact CD1-CG 4.01Å
371	L	89.8	Confident	70.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.3	169.1	173.4	65.2	0	0	0	107.9	L263 V277 C292 S293 V294 V327 L350 V352 T392 S393 I395	L263-L371 HydrophobicContact CD1-CD2 4.05Å; L263-L371 HydrophobicContact CD1-CG 3.97Å; L263-L371 HydrophobicContact CD2-CD2 3.89Å; V277-L371 HydrophobicContact CB-CD2 3.82Å; V277-L371 HydrophobicContact CG1-CD2 3.87Å; V277-L371 HydrophobicContact CG2-CD2 3.76Å; C292-L371 HydrophobicContact CB-CD1 4.43Å; S293-L371 WeakPolarHBondContact O-CA 3.09Å; V294-L371 HydrophobicContact CB-CD1 4.44Å; V327-L371 HydrophobicContact CB-CD1 4.28Å; V327-L371 HydrophobicContact CG1-CD1 4.29Å; V327-L371 HydrophobicContact CG2-CD1 4Å; L350-L371 HydrophobicContact CD1-CD2 4.15Å; V352-L371 HydrophobicContact CG2-CD1 4.42Å; V352-L371 HydrophobicContact CG2-CD2 4.09Å; L371-T392 CarbonylContact O-C 3.59Å; L371-T392 VanDerWaalsContact O-CA 3.3Å; L371-T392 WeakPolarHBondContact O-CA 2.98Å; L371-S393 PolarHBondContact N-O 3.36Å; L371-S393 PolarHBondContact O-N 2.91Å; L371-I395 HydrophobicContact CB-CD1 3.83Å
372	K	88.6	Confident	69.8	Low	17 Å²	17	57.8 Å²	57.8	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.1	-178.8	177.8	162.4	168.3	163.9	0	109.7	C292 S293 D309 T311 V390 T392	C292-K372 CarbonylContact C-O 3.59Å; C292-K372 WeakPolarHBondContact CA-O 3.31Å; S293-K372 PolarHBondContact N-O 2.85Å; S293-K372 PolarHBondContact O-N 2.81Å; D309-K372 PolarHBondContact O-NZ 2.9Å; D309-K372 IonicContact OD1-NZ 2.82Å; D309-K372 IonicContact OD2-NZ 3.68Å; D309-K372 PolarHBondContact OD2-NZ 2.91Å; T311-K372 WeakPolarHBondContact O-CE 3.38Å; T311-K372 PolarHBondContact O-NZ 3.3Å; K372-V390 HydrophobicContact CD-CG2 4.47Å; K372-V390 HydrophobicContact CG-CG2 4.22Å; K372-T392 HydrophobicContact CB-CG2 4.06Å; K372-T392 HydrophobicContact CD-CG2 4.11Å; K372-T392 HydrophobicContact CG-CG2 3.94Å
373	C	88.6	Confident	69.1	Low	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.6	177.8	-67.4	0	0	0	0	110.3	L263 L279 V290 L291 C292 V390 T391	L263-C373 HydrophobicContact CD1-CB 4.44Å; L279-C373 HydrophobicContact CD1-CB 4.05Å; V290-C373 HydrophobicContact CG1-CB 3.87Å; L291-C373 CarbonylContact O-C 3.58Å; L291-C373 WeakPolarHBondContact O-CA 3.48Å; C292-C373 HydrophobicContact CB-CB 4.19Å; C292-C373 WeakPolarHBondContact CB-SG 3.37Å; C292-C373 WeakPolarHBondContact SG-CB 2.96Å; C292-C373 CovalentContact SG-SG 2.04Å; C292-C373 PolarHBondContact SG-SG 2.86Å; C373-V390 WeakPolarHBondContact O-CA 3.47Å; C373-T391 HydrophobicContact CB-CG2 3.86Å; C373-T391 PolarHBondContact N-O 3.17Å; C373-T391 PolarHBondContact O-N 3.32Å
374	C	85.4	Confident	68.5	Low	17 Å²	17	56.1 Å²	56.1	12%	0.115	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.6	-170.6	-100.4	0	0	0	0	112	V290 L291 C312	V290-C374 CarbonylContact C-O 3.56Å; V290-C374 WeakPolarHBondContact CA-O 3.39Å; L291-C374 PolarHBondContact N-O 2.83Å; L291-C374 PolarHBondContact O-N 2.82Å; C312-C374 WeakPolarHBondContact CA-SG 3.26Å; C312-C374 HydrophobicContact CB-CB 3.83Å; C312-C374 WeakPolarHBondContact CB-SG 3.46Å; C312-C374 WeakPolarHBondContact SG-CB 3.27Å; C312-C374 CovalentContact SG-SG 2.04Å; C312-C374 PolarHBondContact SG-SG 3.16Å
375	S	80.3	Confident	67.7	Low	9 Å²	9	52.2 Å²	52.2	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	133.4	164.5	172.6	0	0	0	0	111	L288 G289 T377 F386 I389	L288-S375 WeakPolarHBondContact CD1-OG 3.33Å; G289-S375 WeakPolarHBondContact O-CA 3.45Å; S375-T377 PolarHBondContact OG-N 2.65Å; S375-F386 WeakPolarHBondContact CB-O 3.37Å; S375-F386 PolarHBondContact OG-O 3.07Å; S375-I389 WeakPolarHBondContact CB-O 3.34Å; S375-I389 PolarHBondContact N-O 2.86Å
376	T	72.4	Confident	66.9	Low	59 Å²	59	50.4 Å²	50.4	36%	0.362	28%	0.284	S	S	.	.			trans	-91.3	-2.1	174.7	63.4	0	0	0	0	113.3	G289 L291 L331 N378	G289-T376 WeakPolarHBondContact CA-OG1 3.37Å; G289-T376 PolarHBondContact O-N 3.47Å; G289-T376 PolarHBondContact O-OG1 2.97Å; L291-T376 HydrophobicContact CB-CG2 3.69Å; L331-T376 HydrophobicContact CD1-CG2 4.03Å; T376-N378 PolarHBondContact O-N 2.81Å
377	T	61.1	Low	65.7	Low	43 Å²	43	46.5 Å²	46.5	26%	0.264	27%	0.267	S	S	.	.			trans	-81.2	85.9	-169.3	-52.8	0	0	0	0	111.8	L288 S375 N379	L288-T377 WeakPolarHBondContact CD1-OG1 3.45Å; S375-T377 PolarHBondContact OG-N 2.65Å; T377-N379 VanDerWaalsContact C-N 3.26Å; T377-N379 PolarHBondContact O-N 2.04Å
378	N	52	Low	64.5	Low	141 Å²	141	50.2 Å²	50.2	75%	0.754	29%	0.288	S	S	*	.			trans	-69.8	-8.7	-177.1	-70.2	-23.7	0	0	0	115.7	T376 V380	T376-N378 PolarHBondContact O-N 2.81Å; N378-V380 PolarHBondContact O-N 3.13Å
379	N	44.3	Very low	63.8	Low	113 Å²	113	50.4 Å²	50.4	60%	0.604	29%	0.289	S	S	*	.			trans	-82.3	77.1	-174.4	-83.8	-8	0	0	0	112.9	T377 T381 M382	T377-N379 VanDerWaalsContact C-N 3.26Å; T377-N379 PolarHBondContact O-N 2.04Å; N379-T381 PolarHBondContact O-N 2.87Å; N379-M382 PolarHBondContact O-N 3.08Å
380	V	43.1	Very low	63.4	Low	90 Å²	90	52 Å²	52	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-18.8	173.1	-168.2	0	0	0	0	113.2	N378 P384 A387	N378-V380 PolarHBondContact O-N 3.13Å; V380-P384 HydrophobicContact CG1-CB 4.09Å; V380-A387 HydrophobicContact CG2-CB 4.36Å
381	T	40.2	Very low	63.2	Low	114 Å²	114	52.9 Å²	52.9	70%	0.699	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.5	-175	48.4	0	0	0	0	116.1	N379	N379-T381 PolarHBondContact O-N 2.87Å
382	M	44.3	Very low	63	Low	148 Å²	148	54.5 Å²	54.5	73%	0.729	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-41.3	-177.2	-71.3	-79	88.3	0	0	114.5	N379	N379-M382 PolarHBondContact O-N 3.08Å
383	D	43.8	Very low	62.8	Low	39 Å²	39	53.7 Å²	53.7	21%	0.209	31%	0.31	C	S	.	.			trans	-152.1	115.5	156.2	-170.1	-21.4	0	0	0	108.2	K162 A385 F386	K162-D383 IonicContact NZ-OD2 2.72Å; D383-A385 PolarHBondContact O-N 3.4Å; D383-A385 WeakPolarHBondContact OD1-CB 3.41Å; D383-A385 PolarHBondContact OD1-N 2.86Å; D383-F386 HydrophobicContact CB-CD2 4.26Å; D383-F386 PolarHBondContact O-N 2.88Å
384	P	46.4	Very low	62.7	Low	89 Å²	89	55.1 Å²	55.1	58%	0.578	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.6	177.7	27.2	-35.4	0	0	0	113.5	V380	V380-P384 HydrophobicContact CG1-CB 4.09Å
385	A	48.6	Very low	62.7	Low	26 Å²	26	54.3 Å²	54.3	22%	0.215	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.4	-178.1	0	0	0	0	0	115.8	S258 D383	S258-A385 WeakPolarHBondContact OG-CB 3.48Å; D383-A385 PolarHBondContact O-N 3.4Å; D383-A385 WeakPolarHBondContact OD1-CB 3.41Å; D383-A385 PolarHBondContact OD1-N 2.86Å
386	F	52.5	Low	62.7	Low	13 Å²	13	54.7 Å²	54.7	6%	0.057	31%	0.311	C	S	.	.	S	Bend	trans	-107.5	-11.1	171.2	-68.7	-82.5	0	0	0	113.7	S258 S375 D383 I389	S258-F386 WeakPolarHBondContact O-CZ 3.31Å; S375-F386 WeakPolarHBondContact CB-O 3.37Å; S375-F386 PolarHBondContact OG-O 3.07Å; D383-F386 HydrophobicContact CB-CD2 4.26Å; D383-F386 PolarHBondContact O-N 2.88Å; F386-I389 HydrophobicContact CB-CD1 4.5Å; F386-I389 HydrophobicContact CD1-CD1 3.71Å; F386-I389 HydrophobicContact CE1-CD1 4.4Å; F386-I389 HydrophobicContact CG-CD1 4.44Å
387	A	52.6	Low	63.1	Low	16 Å²	16	51.9 Å²	51.9	13%	0.132	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	137.8	168.3	0	0	0	0	0	109.7	V380 I389	V380-A387 HydrophobicContact CG2-CB 4.36Å; A387-I389 VanDerWaalsContact C-N 3.31Å; A387-I389 PolarHBondContact O-N 2.88Å
388	N	58.6	Low	63.8	Low	102 Å²	102	51 Å²	51	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	23.9	178.7	-47.3	-54.1	0	0	0	116.5	V390	N388-V390 PolarHBondContact O-N 2.96Å; N388-V390 VanDerWaalsContact O-N 3.16Å
389	I	70.8	Confident	64.8	Low	22 Å²	22	44.2 Å²	44.2	11%	0.113	25%	0.251	C	S	.	.			trans	-64.5	119.9	163	-52.5	179.4	0	0	0	107.6	I261 S375 F386 A387	I261-I389 HydrophobicContact CB-CG2 4.32Å; I261-I389 HydrophobicContact CD1-CB 4.1Å; I261-I389 HydrophobicContact CD1-CG2 3.72Å; I261-I389 HydrophobicContact CG1-CG2 3.7Å; S375-I389 WeakPolarHBondContact CB-O 3.34Å; S375-I389 PolarHBondContact N-O 2.86Å; F386-I389 HydrophobicContact CB-CD1 4.5Å; F386-I389 HydrophobicContact CD1-CD1 3.71Å; F386-I389 HydrophobicContact CE1-CD1 4.4Å; F386-I389 HydrophobicContact CG-CD1 4.44Å; A387-I389 VanDerWaalsContact C-N 3.31Å; A387-I389 PolarHBondContact O-N 2.88Å
390	V	79.2	Confident	65.6	Low	34 Å²	34	43.9 Å²	43.9	21%	0.206	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148	-175.9	60.7	0	0	0	0	109.6	N310 K372 C373 N388	N310-V390 HydrophobicContact CB-CG1 4.45Å; K372-V390 HydrophobicContact CD-CG2 4.47Å; K372-V390 HydrophobicContact CG-CG2 4.22Å; C373-V390 WeakPolarHBondContact O-CA 3.47Å; N388-V390 PolarHBondContact O-N 2.96Å; N388-V390 VanDerWaalsContact O-N 3.16Å
391	T	85.4	Confident	66.2	Low	19 Å²	19	41.7 Å²	41.7	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.3	170.2	-165.3	0	0	0	0	109.9	I261 L263 C373	I261-T391 HydrophobicContact CB-CG2 3.85Å; I261-T391 HydrophobicContact CG2-CG2 3.5Å; I261-T391 WeakPolarHBondContact O-CB 3.13Å; I261-T391 PolarHBondContact O-OG1 2.72Å; I261-T391 VanDerWaalsContact O-OG1 3.05Å; L263-T391 HydrophobicContact CD1-CG2 3.85Å; L263-T391 HydrophobicContact CG-CG2 3.74Å; C373-T391 HydrophobicContact CB-CG2 3.86Å; C373-T391 PolarHBondContact N-O 3.17Å; C373-T391 PolarHBondContact O-N 3.32Å
392	T	84	Confident	66.4	Low	33 Å²	33	46 Å²	46	20%	0.202	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.5	-176.2	52.1	0	0	0	0	110.5	I370 L371 K372	I370-T392 HydrophobicContact CG2-CG2 4.5Å; L371-T392 CarbonylContact O-C 3.59Å; L371-T392 VanDerWaalsContact O-CA 3.3Å; L371-T392 WeakPolarHBondContact O-CA 2.98Å; K372-T392 HydrophobicContact CB-CG2 4.06Å; K372-T392 HydrophobicContact CD-CG2 4.11Å; K372-T392 HydrophobicContact CG-CG2 3.94Å
393	S	85.5	Confident	66.4	Low	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.4	171.6	170.1	0	0	0	0	109.5	P265 N266 I370 L371 I395	P265-S393 WeakPolarHBondContact O-CB 3.42Å; P265-S393 PolarHBondContact O-OG 3.26Å; N266-S393 CarbonylContact O-C 3.5Å; N266-S393 WeakPolarHBondContact O-CA 3.34Å; I370-S393 WeakPolarHBondContact CA-O 3.47Å; L371-S393 PolarHBondContact N-O 3.36Å; L371-S393 PolarHBondContact O-N 2.91Å; S393-I395 WeakPolarHBondContact OG-CD1 3.47Å
394	R	85.1	Confident	66	Low	31 Å²	31	50.1 Å²	50.1	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.5	174.5	180	-175.9	172.6	152.3	3.4	109.4	N266 D267 V268 E300 L307 I368 L369 I370 N396	N266-R394 PolarHBondContact O-N 3.28Å; D267-R394 WeakPolarHBondContact CA-O 3.34Å; D267-R394 WeakPolarHBondContact OD1-CB 3.26Å; V268-R394 PolarHBondContact N-O 2.63Å; E300-R394 IonicContact OE1-CZ 3.02Å; E300-R394 IonicContact OE1-NH1 3.87Å; E300-R394 IonicContact OE1-NH2 3.27Å; E300-R394 PolarHBondContact OE1-NH2 2.85Å; E300-R394 IonicContact OE2-CZ 3.31Å; E300-R394 IonicContact OE2-NH1 2.68Å; E300-R394 PolarHBondContact OE2-NH1 2.98Å; E300-R394 IonicContact OE2-NH2 3.77Å; E300-R394 PolarHBondContact OE2-NH2 3.2Å; L307-R394 HydrophobicContact CD1-CB 4.29Å; L307-R394 HydrophobicContact CD2-CB 4.31Å; I368-R394 HydrophobicContact CG2-CG 4.33Å; L369-R394 WeakPolarHBondContact O-CA 3.47Å; I370-R394 HydrophobicContact CD1-CB 4.1Å; I370-R394 HydrophobicContact CD1-CG 4.01Å; R394-N396 VanDerWaalsContact CZ-OD1 3.32Å; R394-N396 PolarHBondContact NE-ND2 3.15Å; R394-N396 PolarHBondContact NE-OD1 3.32Å; R394-N396 PolarHBondContact NH2-OD1 3.41Å
395	I	85.5	Confident	65.7	Low	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	108.1	179.8	-52.4	99.8	0	0	0	109.4	V268 L270 F275 L369 L371 S393 V397	V268-I395 HydrophobicContact CG1-CB 4.43Å; V268-I395 HydrophobicContact CG1-CG1 4.24Å; V268-I395 HydrophobicContact CG1-CG2 3.93Å; V268-I395 CarbonylContact O-C 3.49Å; V268-I395 WeakPolarHBondContact O-CA 3.1Å; L270-I395 HydrophobicContact CB-CG2 4.41Å; L270-I395 HydrophobicContact CD1-CG2 3.24Å; L270-I395 HydrophobicContact CD2-CG2 4.35Å; L270-I395 HydrophobicContact CG-CG2 3.4Å; F275-I395 HydrophobicContact CE1-CG2 4.16Å; F275-I395 HydrophobicContact CE2-CB 4.32Å; F275-I395 HydrophobicContact CE2-CD1 4.15Å; F275-I395 HydrophobicContact CE2-CG1 3.87Å; F275-I395 HydrophobicContact CE2-CG2 3.92Å; F275-I395 HydrophobicContact CZ-CB 4.04Å; F275-I395 HydrophobicContact CZ-CD1 4.25Å; F275-I395 HydrophobicContact CZ-CG1 4.05Å; F275-I395 HydrophobicContact CZ-CG2 3.63Å; L369-I395 WeakPolarHBondContact CA-O 3.18Å; L369-I395 HydrophobicContact CB-CB 4.24Å; L369-I395 VanDerWaalsContact CB-O 3.31Å; L369-I395 WeakPolarHBondContact CB-O 3.43Å; L369-I395 WeakPolarHBondContact CG-O 3.32Å; L369-I395 PolarHBondContact N-O 2.98Å; L369-I395 PolarHBondContact O-N 2.83Å; L371-I395 HydrophobicContact CB-CD1 3.83Å; S393-I395 WeakPolarHBondContact OG-CD1 3.47Å; I395-V397 HydrophobicContact CG2-CG2 4.04Å
396	N	81.3	Confident	65	Low	16 Å²	16	57 Å²	57	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.1	179	-42.1	-62.2	0	0	0	109.6	V268 N269 L270 M366 E367 I368 R394	V268-N396 PolarHBondContact O-N 2.8Å; N269-N396 CarbonylContact C-O 3.59Å; N269-N396 WeakPolarHBondContact CA-O 3.3Å; N269-N396 WeakPolarHBondContact OD1-CB 3.33Å; N269-N396 PolarHBondContact OD1-ND2 2.98Å; L270-N396 PolarHBondContact N-O 3.04Å; M366-N396 HydrophobicContact CE-CB 3.44Å; M366-N396 VanDerWaalsContact CE-CB 3.44Å; M366-N396 WeakPolarHBondContact CE-O 3.43Å; E367-N396 CarbonylContact O-C 3.58Å; E367-N396 WeakPolarHBondContact O-CA 3.23Å; I368-N396 WeakPolarHBondContact CG2-OD1 3.36Å; R394-N396 VanDerWaalsContact CZ-OD1 3.32Å; R394-N396 PolarHBondContact NE-ND2 3.15Å; R394-N396 PolarHBondContact NE-OD1 3.32Å; R394-N396 PolarHBondContact NH2-OD1 3.41Å
397	V	80.8	Confident	64.3	Low	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.5	-174.9	-173	0	0	0	0	111.2	L270 S272 F275 W325 M366 E367 L369 I395 L399	L270-V397 HydrophobicContact CB-CG2 4.25Å; L270-V397 HydrophobicContact CD1-CG2 4.29Å; S272-V397 WeakPolarHBondContact O-CG1 3.2Å; F275-V397 HydrophobicContact CE1-CG2 4.3Å; W325-V397 HydrophobicContact CH2-CB 4.31Å; W325-V397 HydrophobicContact CH2-CG1 3.94Å; W325-V397 HydrophobicContact CH2-CG2 3.9Å; W325-V397 HydrophobicContact CZ2-CB 4.04Å; W325-V397 HydrophobicContact CZ2-CG1 3.92Å; W325-V397 HydrophobicContact CZ2-CG2 3.91Å; M366-V397 WeakPolarHBondContact CA-O 3.4Å; E367-V397 PolarHBondContact N-O 3.16Å; E367-V397 PolarHBondContact O-N 2.86Å; L369-V397 HydrophobicContact CD1-CG2 3.55Å; L369-V397 HydrophobicContact CG-CG2 4.07Å; I395-V397 HydrophobicContact CG2-CG2 4.04Å; V397-L399 HydrophobicContact CG1-CD2 4.29Å
398	L	74.9	Confident	63.6	Low	24 Å²	24	67.8 Å²	67.8	13%	0.126	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.6	166.6	-169.6	72	0	0	0	109.7	L270 M366 K400 S584	L270-L398 PolarHBondContact O-N 3.25Å; M366-L398 HydrophobicContact CG-CD1 3.95Å; M366-L398 WeakPolarHBondContact SD-CA 3.46Å; M366-L398 HydrophobicContact SD-CB 3.54Å; M366-L398 VanDerWaalsContact SD-CB 3.54Å; M366-L398 HydrophobicContact SD-CD1 3.45Å; M366-L398 WeakPolarHBondContact SD-CD1 3.36Å; M366-L398 HydrophobicContact SD-CG 4.09Å; L398-K400 HydrophobicContact CD2-CG 4.44Å; L398-S584 VanDerWaalsContact CD2-OG 3.29Å; L398-S584 WeakPolarHBondContact CD2-OG 3.48Å
399	L	74.8	Confident	62.8	Low	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.9	172.9	-56.7	-178	0	0	0	109.7	L273 W325 P358 Y362 N364 T365 E367 V397	L273-L399 HydrophobicContact CD2-CD2 3.67Å; W325-L399 HydrophobicContact CZ2-CD2 4.48Å; P358-L399 HydrophobicContact CB-CB 4.18Å; P358-L399 HydrophobicContact CB-CD1 4.38Å; P358-L399 HydrophobicContact CG-CB 4.37Å; Y362-L399 HydrophobicContact CD1-CD1 4.16Å; Y362-L399 HydrophobicContact CG-CD1 4.47Å; N364-L399 WeakPolarHBondContact CA-O 3.45Å; N364-L399 PolarHBondContact N-O 3.11Å; T365-L399 WeakPolarHBondContact O-CB 3.46Å; T365-L399 PolarHBondContact O-N 3.03Å; E367-L399 HydrophobicContact CG-CD1 4.03Å; V397-L399 HydrophobicContact CG1-CD2 4.29Å
400	K	60.8	Low	61.2	Low	106 Å²	106	80.5 Å²	80.5	46%	0.461	41%	0.405	S	S	.	.			trans	-118.8	140.4	169.2	-69.7	-168.6	173.9	-170.8	0	110.3	P358 D363 L398	P358-K400 VanDerWaalsContact CG-O 3.26Å; P358-K400 WeakPolarHBondContact CG-O 3.41Å; D363-K400 VanDerWaalsContact OD1-CA 3.3Å; D363-K400 WeakPolarHBondContact OD1-CA 3.32Å; L398-K400 HydrophobicContact CD2-CG 4.44Å
401	S	54	Low	59.4	Low	43 Å²	43	85.9 Å²	85.9	30%	0.301	43%	0.432	S	S	.	.			trans	-67.4	153.9	173.2	76.3	0	0	0	0	110.6	D363	D363-S401 PolarHBondContact OD1-N 3.48Å; D363-S401 WeakPolarHBondContact OD2-CB 3.19Å; D363-S401 PolarHBondContact OD2-OG 3.19Å
402	R	46.4	Very low	57.2	Low	206 Å²	206	89.4 Å²	89.4	78%	0.777	46%	0.456	S	S	*	.			trans	-75.8	132.4	169.6	-177.1	-175.8	178.4	179.5	4.1	108.6	I404	R402-I404 WeakPolarHBondContact O-CG1 3.43Å; R402-I404 PolarHBondContact O-N 3.44Å
403	L	42.9	Very low	55.3	Low	140 Å²	140	94.5 Å²	94.5	73%	0.733	49%	0.487	S	S	*	.			trans	-59.9	103.1	166.7	-163.9	152.6	0	0	0	109.7	V405	L403-V405 HydrophobicContact CD2-CG2 3.88Å; L403-V405 PolarHBondContact O-N 3.07Å
404	I	36.5	Very low	53.1	Low	132 Å²	132	100.7 Å²	100.7	68%	0.677	52%	0.52	S	S	*	.			trans	-79.1	97.7	177.8	-57.4	179.3	0	0	0	107.7	R402 N406	R402-I404 WeakPolarHBondContact O-CG1 3.43Å; R402-I404 PolarHBondContact O-N 3.44Å; I404-N406 PolarHBondContact O-N 2.73Å
405	V	38.5	Very low	50.9	Low	119 Å²	119	108.3 Å²	108.3	72%	0.721	56%	0.557	S	S	*	*			trans	-64.3	108.4	162.5	-178	0	0	0	0	106.9	L403 K407	L403-V405 HydrophobicContact CD2-CG2 3.88Å; L403-V405 PolarHBondContact O-N 3.07Å; V405-K407 PolarHBondContact O-N 3.27Å; V405-K407 VanDerWaalsContact O-N 3.13Å
406	N	34.9	Very low	48.9	Very low	142 Å²	142	112.4 Å²	112.4	76%	0.759	59%	0.591	S	S	*	*			trans	-58.5	116.7	-177.6	-86.8	-28.2	0	0	0	110.4	I404 G408	I404-N406 PolarHBondContact O-N 2.73Å; N406-G408 PolarHBondContact O-N 3.38Å
407	K	38.2	Very low	47.2	Very low	204 Å²	204	119.2 Å²	119.2	89%	0.887	62%	0.62	S	S	*	*			trans	-76.7	53.5	168.3	-66.8	-171.7	174	-170.4	0	111	V405 E409	V405-K407 PolarHBondContact O-N 3.27Å; V405-K407 VanDerWaalsContact O-N 3.13Å; K407-E409 PolarHBondContact O-N 3.1Å
408	G	36.8	Very low	45.5	Very low	50 Å²	50	124.4 Å²	124.4	52%	0.515	65%	0.654	S	S	.	*			trans	-67.8	116.9	164.6	0	0	0	0	0	107.7	N406 E410	N406-G408 PolarHBondContact O-N 3.38Å; G408-E410 PolarHBondContact O-N 2.92Å
409	E	43	Very low	44.3	Very low	201 Å²	201	131.6 Å²	131.6	94%	0.939	68%	0.68	S	S	*	*	S	Bend	trans	-72.4	-8.4	-172	-61.6	-170.1	126.7	0	0	113.3	K407	K407-E409 PolarHBondContact O-N 3.1Å
410	E	36.2	Very low	43.1	Very low	190 Å²	190	134.4 Å²	134.4	89%	0.888	70%	0.699	S	S	*	*			trans	-114.7	77	173.2	-63.3	-175.1	162.2	0	0	110.6	G408	G408-E410 PolarHBondContact O-N 2.92Å
411	L	42.7	Very low	42.6	Very low	148 Å²	148	132.8 Å²	132.8	78%	0.775	70%	0.695	S	S	*	*			trans	-64.1	145	149.4	-77.4	170.4	0	0	0	108.2	T413	L411-T413 PolarHBondContact O-N 2.79Å
412	P	39.3	Very low	42.4	Very low	93 Å²	93	132.5 Å²	132.5	60%	0.604	69%	0.692	S	S	*	*			trans	-49.6	140.9	170.8	-26.8	35.5	0	0	0	111.1	D414	P412-D414 PolarHBondContact O-N 2.96Å
413	T	42.5	Very low	42.5	Very low	139 Å²	139	125.6 Å²	125.6	85%	0.853	67%	0.673	S	S	*	*			trans	-78.4	62.3	177.6	56.7	0	0	0	0	110.5	L411 Q415	L411-T413 PolarHBondContact O-N 2.79Å; T413-Q415 PolarHBondContact O-N 3.36Å; T413-Q415 VanDerWaalsContact O-N 3.15Å
414	D	39.7	Very low	42.8	Very low	131 Å²	131	128.8 Å²	128.8	70%	0.701	68%	0.675	S	S	*	*			trans	-55.7	118.8	171.9	-62.2	-28.2	0	0	0	108	P412 A416	P412-D414 PolarHBondContact O-N 2.96Å; D414-A416 PolarHBondContact O-N 3.06Å
415	Q	40.2	Very low	43.4	Very low	190 Å²	190	125.6 Å²	125.6	89%	0.888	66%	0.662	S	S	*	*			trans	-64.9	108.1	178.2	-73.6	-170.8	-51.1	0	0	108.1	T413 F417	T413-Q415 PolarHBondContact O-N 3.36Å; T413-Q415 VanDerWaalsContact O-N 3.15Å; Q415-F417 PolarHBondContact O-N 3.03Å
416	A	42.7	Very low	44	Very low	86 Å²	86	126 Å²	126	71%	0.711	66%	0.66	S	S	*	*			trans	-62.1	96.6	179.6	0	0	0	0	0	109.9	D414 P418	D414-A416 PolarHBondContact O-N 3.06Å; A416-P418 WeakPolarHBondContact O-CD 3.04Å
417	F	44.7	Very low	44.9	Very low	160 Å²	160	122.3 Å²	122.3	70%	0.702	64%	0.64	S	S	*	*			trans	-76.4	119	177.8	-155.2	-85.6	0	0	0	108.7	Q415 Y419	Q415-F417 PolarHBondContact O-N 3.03Å; F417-Y419 PolarHBondContact O-N 3.02Å
418	P	46.3	Very low	45.7	Very low	109 Å²	109	115.4 Å²	115.4	71%	0.708	62%	0.617	S	S	*	*			trans	-73.2	102	175.5	29.6	-31.9	0	0	0	108.5	A416 P420	A416-P418 WeakPolarHBondContact O-CD 3.04Å; P418-P420 WeakPolarHBondContact O-CD 3.37Å
419	Y	48.5	Very low	46.6	Very low	174 Å²	174	118.6 Å²	118.6	68%	0.682	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-56.5	125.2	169.1	-70.7	-84.2	0	0	0	109.1	F417 I427	F417-Y419 PolarHBondContact O-N 3.02Å; Y419-I427 HydrophobicContact CD1-CB 4.35Å; Y419-I427 HydrophobicContact CD1-CG2 4.43Å
420	P	50.2	Low	47.4	Very low	60 Å²	60	109.4 Å²	109.4	39%	0.39	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-63.9	155.7	174.5	25.3	-31.9	0	0	0	110.6	P418 T425 I427	P418-P420 WeakPolarHBondContact O-CD 3.37Å; P420-T425 HydrophobicContact CB-CG2 4.42Å; P420-T425 HydrophobicContact CG-CG2 3.75Å; P420-I427 HydrophobicContact CG-CG2 3.62Å; P420-I427 WeakPolarHBondContact O-CG2 3.32Å
421	D	50.3	Low	48.5	Very low	71 Å²	71	105.4 Å²	105.4	38%	0.38	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-59.7	124.4	-176.4	174.6	1.1	0	0	0	111.5	V423 W424 T425	D421-V423 PolarHBondContact O-N 3.39Å; D421-V423 VanDerWaalsContact O-N 3.11Å; D421-V423 WeakPolarHBondContact OD1-CB 3.4Å; D421-V423 VanDerWaalsContact OD1-CG2 3.27Å; D421-V423 WeakPolarHBondContact OD1-CG2 3.05Å; D421-V423 PolarHBondContact OD1-N 3.49Å; D421-W424 PolarHBondContact O-N 3.25Å; D421-W424 VanDerWaalsContact OD2-CD1 3.25Å; D421-W424 PolarHBondContact OD2-NE1 3.41Å; D421-T425 PolarHBondContact O-N 3.07Å
422	P	50.1	Low	49.4	Very low	38 Å²	38	99.7 Å²	99.7	25%	0.247	55%	0.549	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.2	-179.9	24.8	-34.3	0	0	0	114.3	W424 T425 I427	P422-W424 PolarHBondContact O-N 3.42Å; P422-T425 WeakPolarHBondContact CA-O 3.3Å; P422-I427 HydrophobicContact CB-CD1 3.93Å; P422-I427 HydrophobicContact CB-CG1 4.12Å; P422-I427 HydrophobicContact CG-CD1 4.21Å
423	V	48.7	Very low	50.5	Low	61 Å²	61	98.7 Å²	98.7	37%	0.37	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.7	170.3	179.4	0	0	0	0	111.5	D421	D421-V423 PolarHBondContact O-N 3.39Å; D421-V423 VanDerWaalsContact O-N 3.11Å; D421-V423 WeakPolarHBondContact OD1-CB 3.4Å; D421-V423 VanDerWaalsContact OD1-CG2 3.27Å; D421-V423 WeakPolarHBondContact OD1-CG2 3.05Å; D421-V423 PolarHBondContact OD1-N 3.49Å
424	W	49.4	Very low	51.5	Low	206 Å²	206	98.7 Å²	98.7	78%	0.78	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-17.9	-171.2	-50.8	106.2	0	0	0	114.8	D421 P422	D421-W424 PolarHBondContact O-N 3.25Å; D421-W424 VanDerWaalsContact OD2-CD1 3.25Å; D421-W424 PolarHBondContact OD2-NE1 3.41Å; P422-W424 PolarHBondContact O-N 3.42Å
425	T	48.2	Very low	52.5	Low	66 Å²	66	95.3 Å²	95.3	41%	0.405	52%	0.517	S	S	.	.	S	Bend	trans	-141.1	129.3	-179.3	-57.2	0	0	0	0	110.7	P420 D421 P422 I427	P420-T425 HydrophobicContact CB-CG2 4.42Å; P420-T425 HydrophobicContact CG-CG2 3.75Å; D421-T425 PolarHBondContact O-N 3.07Å; P422-T425 WeakPolarHBondContact CA-O 3.3Å; T425-I427 PolarHBondContact O-N 3.33Å
426	N	52.1	Low	53.8	Low	128 Å²	128	92.9 Å²	92.9	68%	0.684	51%	0.508	S	S	*	.			trans	-69	103.4	170.1	-177.2	1.7	0	0	0	110	S428	N426-S428 PolarHBondContact OD1-N 2.94Å; N426-S428 PolarHBondContact OD1-O 2.98Å
427	I	53.3	Low	54.7	Low	64 Å²	64	94.5 Å²	94.5	33%	0.328	51%	0.505	S	S	.	.			trans	-84.4	-8.9	-174.5	43.1	172.2	0	0	0	115.5	Y419 P420 P422 T425	Y419-I427 HydrophobicContact CD1-CB 4.35Å; Y419-I427 HydrophobicContact CD1-CG2 4.43Å; P420-I427 HydrophobicContact CG-CG2 3.62Å; P420-I427 WeakPolarHBondContact O-CG2 3.32Å; P422-I427 HydrophobicContact CB-CD1 3.93Å; P422-I427 HydrophobicContact CB-CG1 4.12Å; P422-I427 HydrophobicContact CG-CD1 4.21Å; T425-I427 PolarHBondContact O-N 3.33Å
428	S	55.5	Low	55.9	Low	59 Å²	59	90.7 Å²	90.7	41%	0.413	50%	0.495	S	S	.	.			trans	-139.3	88.9	174	-171	0	0	0	0	110.5	N426 C430 P431	N426-S428 PolarHBondContact OD1-N 2.94Å; N426-S428 PolarHBondContact OD1-O 2.98Å; S428-C430 PolarHBondContact O-N 3.08Å; S428-C430 PolarHBondContact OG-O 3.23Å; S428-P431 WeakPolarHBondContact OG-CA 3.22Å
429	P	55.2	Low	57.1	Low	116 Å²	116	87.4 Å²	87.4	75%	0.753	48%	0.475	S	S	*	.	S	Bend	trans	-69	-16.7	169.6	30	-35.1	0	0	0	112.2
430	C	59.8	Low	58	Low	8 Å²	8	80.6 Å²	80.6	5%	0.054	45%	0.45	C	S	.	.			trans	-147	108	177.2	-173.1	0	0	0	0	110.3	S428 C432 D433 C443 C445 D446	S428-C430 PolarHBondContact O-N 3.08Å; S428-C430 PolarHBondContact OG-O 3.23Å; C430-C432 VanDerWaalsContact C-N 3.25Å; C430-C432 PolarHBondContact O-N 3.5Å; C430-D433 HydrophobicContact CB-CB 4.12Å; C430-D433 PolarHBondContact O-N 3.18Å; C430-C443 PolarHBondContact SG-SG 3.33Å; C430-C445 WeakPolarHBondContact CA-SG 3.22Å; C430-C445 HydrophobicContact CB-CB 3.75Å; C430-C445 WeakPolarHBondContact CB-SG 3.49Å; C430-C445 VanDerWaalsContact SG-CA 3.57Å; C430-C445 WeakPolarHBondContact SG-CB 3.26Å; C430-C445 CovalentContact SG-SG 2.04Å; C430-C445 PolarHBondContact SG-SG 3.32Å; C430-D446 PolarHBondContact SG-N 3.36Å; C430-D446 VanDerWaalsContact SG-N 3.41Å
431	P	58.4	Low	58.5	Low	106 Å²	106	84.7 Å²	84.7	69%	0.688	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	2.7	-173.6	32.4	-36.7	0	0	0	114.7	S428	S428-P431 WeakPolarHBondContact OG-CA 3.22Å
432	C	62.5	Low	58.9	Low	28 Å²	28	84.1 Å²	84.1	19%	0.189	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	3.5	174.7	54	0	0	0	0	113.7	C430 L434 D440 C443	C430-C432 VanDerWaalsContact C-N 3.25Å; C430-C432 PolarHBondContact O-N 3.5Å; C432-L434 PolarHBondContact O-N 2.73Å; C432-D440 WeakPolarHBondContact O-CB 3.23Å; C432-C443 VanDerWaalsContact CA-SG 3.56Å; C432-C443 HydrophobicContact CB-CB 3.69Å; C432-C443 WeakPolarHBondContact CB-SG 3.49Å; C432-C443 PolarHBondContact O-SG 3.42Å; C432-C443 WeakPolarHBondContact SG-CA 3.38Å; C432-C443 WeakPolarHBondContact SG-CB 3.37Å; C432-C443 CovalentContact SG-SG 2.04Å; C432-C443 PolarHBondContact SG-SG 3.46Å
433	D	62.7	Low	59.2	Low	73 Å²	73	82.7 Å²	82.7	39%	0.39	47%	0.469	S	S	.	.			trans	-78.4	95.8	165.4	178.8	-7.9	0	0	0	106.9	C430	C430-D433 HydrophobicContact CB-CB 4.12Å; C430-D433 PolarHBondContact O-N 3.18Å
434	L	63.3	Low	59.7	Low	139 Å²	139	85.1 Å²	85.1	73%	0.728	49%	0.487	S	S	*	.			trans	-109.2	-20.7	-174.4	-61.2	179.2	0	0	0	111.8	C432 D440	C432-L434 PolarHBondContact O-N 2.73Å; L434-D440 WeakPolarHBondContact CA-OD2 3.48Å; L434-D440 PolarHBondContact N-OD2 3.37Å
435	T	61.1	Low	60.6	Low	59 Å²	59	77.7 Å²	77.7	36%	0.362	47%	0.465	S	S	.	.	S	Bend	trans	-125.6	91.4	-172.5	57.3	0	0	0	0	112.2	N437 T438 D440	T435-N437 PolarHBondContact O-N 3.12Å; T435-T438 WeakPolarHBondContact O-CA 3.1Å; T435-T438 VanDerWaalsContact O-CB 3.29Å; T435-T438 WeakPolarHBondContact O-CB 3.33Å; T435-T438 PolarHBondContact O-N 2.92Å; T435-D440 PolarHBondContact N-OD2 2.77Å; T435-D440 PolarHBondContact OG1-OD1 3.06Å; T435-D440 PolarHBondContact OG1-OD2 3.39Å
436	I	66.1	Low	61.8	Low	139 Å²	139	75 Å²	75	71%	0.713	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.9	129.5	-176.7	-166.8	174.4	0	0	0	113.7	T438	I436-T438 PolarHBondContact O-N 2.81Å; I436-T438 PolarHBondContact O-OG1 2.73Å
437	N	63.3	Low	62.6	Low	120 Å²	120	76 Å²	76	64%	0.642	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	19	-177.2	-53.7	-52.1	0	0	0	115.7	T435 M448	T435-N437 PolarHBondContact O-N 3.12Å; N437-M448 WeakPolarHBondContact OD1-CE 3.27Å
438	T	68.7	Low	63.7	Low	80 Å²	80	77.6 Å²	77.6	49%	0.491	46%	0.461	S	S	.	.	S	Bend	trans	-127.7	148.1	-179.5	-44	0	0	0	0	109.1	T435 I436 D440	T435-T438 WeakPolarHBondContact O-CA 3.1Å; T435-T438 VanDerWaalsContact O-CB 3.29Å; T435-T438 WeakPolarHBondContact O-CB 3.33Å; T435-T438 PolarHBondContact O-N 2.92Å; I436-T438 PolarHBondContact O-N 2.81Å; I436-T438 PolarHBondContact O-OG1 2.73Å; T438-D440 PolarHBondContact O-N 2.97Å
439	C	71.6	Confident	64.3	Low	41 Å²	41	76 Å²	76	28%	0.277	45%	0.45	S	S	.	.			trans	-79.2	111.9	178.8	166.8	0	0	0	0	111.3	L441 D446 C449	C439-L441 PolarHBondContact O-N 2.89Å; C439-L441 VanDerWaalsContact O-N 3.17Å; C439-D446 VanDerWaalsContact CA-OD2 3.25Å; C439-D446 WeakPolarHBondContact CA-OD2 3.38Å; C439-C449 WeakPolarHBondContact CA-SG 3.39Å; C439-C449 HydrophobicContact CB-CB 4.02Å; C439-C449 WeakPolarHBondContact CB-SG 3.46Å; C439-C449 WeakPolarHBondContact SG-CA 3.46Å; C439-C449 WeakPolarHBondContact SG-CB 3.32Å; C439-C449 CovalentContact SG-SG 2.05Å; C439-C449 PolarHBondContact SG-SG 2.92Å
440	D	67.5	Low	64.9	Low	31 Å²	31	74.1 Å²	74.1	17%	0.166	44%	0.438	C	S	.	.			trans	-77.1	98.4	173.6	-91.2	-61.6	0	0	0	110.4	C432 L434 T435 T438 G442 C443 D446	C432-D440 WeakPolarHBondContact O-CB 3.23Å; L434-D440 WeakPolarHBondContact CA-OD2 3.48Å; L434-D440 PolarHBondContact N-OD2 3.37Å; T435-D440 PolarHBondContact N-OD2 2.77Å; T435-D440 PolarHBondContact OG1-OD1 3.06Å; T435-D440 PolarHBondContact OG1-OD2 3.39Å; T438-D440 PolarHBondContact O-N 2.97Å; D440-G442 PolarHBondContact O-N 3.4Å; D440-C443 HydrophobicContact CB-CB 3.99Å; D440-C443 WeakPolarHBondContact O-CB 3.31Å; D440-C443 PolarHBondContact O-N 3.24Å; D440-D446 PolarHBondContact N-OD2 2.9Å
441	L	61.1	Low	64.8	Low	145 Å²	145	81 Å²	81	76%	0.759	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	107.9	-171.2	-71.3	175.1	0	0	0	112.9	C439	C439-L441 PolarHBondContact O-N 2.89Å; C439-L441 VanDerWaalsContact O-N 3.17Å
442	G	57.4	Low	64.3	Low	59 Å²	59	83 Å²	83	61%	0.608	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.3	-12.2	-178.1	0	0	0	0	0	113.4	D440 P444	D440-G442 PolarHBondContact O-N 3.4Å; G442-P444 VanDerWaalsContact O-CD 3.31Å; G442-P444 WeakPolarHBondContact O-CD 3.22Å
443	C	56.9	Low	63.2	Low	8 Å²	8	88 Å²	88	5%	0.054	50%	0.504	C	S	.	.			trans	-83	110.3	176.9	-171.3	0	0	0	0	111.6	C430 C432 D440 C445 D446	C430-C443 PolarHBondContact SG-SG 3.33Å; C432-C443 VanDerWaalsContact CA-SG 3.56Å; C432-C443 HydrophobicContact CB-CB 3.69Å; C432-C443 WeakPolarHBondContact CB-SG 3.49Å; C432-C443 PolarHBondContact O-SG 3.42Å; C432-C443 WeakPolarHBondContact SG-CA 3.38Å; C432-C443 WeakPolarHBondContact SG-CB 3.37Å; C432-C443 CovalentContact SG-SG 2.04Å; C432-C443 PolarHBondContact SG-SG 3.46Å; D440-C443 HydrophobicContact CB-CB 3.99Å; D440-C443 WeakPolarHBondContact O-CB 3.31Å; D440-C443 PolarHBondContact O-N 3.24Å; C443-C445 VanDerWaalsContact C-N 3.34Å; C443-C445 PolarHBondContact O-N 2.76Å; C443-D446 HydrophobicContact CB-CB 4.05Å
444	P	60.4	Low	62.1	Low	113 Å²	113	90.3 Å²	90.3	73%	0.734	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.6	-172.9	35.8	-37	0	0	0	114.1	G442	G442-P444 VanDerWaalsContact O-CD 3.31Å; G442-P444 WeakPolarHBondContact O-CD 3.22Å
445	C	67.4	Low	60.8	Low	49 Å²	49	87.1 Å²	87.1	33%	0.331	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-4.6	176.2	53.5	0	0	0	0	113.5	C430 C443 N447	C430-C445 WeakPolarHBondContact CA-SG 3.22Å; C430-C445 HydrophobicContact CB-CB 3.75Å; C430-C445 WeakPolarHBondContact CB-SG 3.49Å; C430-C445 VanDerWaalsContact SG-CA 3.57Å; C430-C445 WeakPolarHBondContact SG-CB 3.26Å; C430-C445 CovalentContact SG-SG 2.04Å; C430-C445 PolarHBondContact SG-SG 3.32Å; C443-C445 VanDerWaalsContact C-N 3.34Å; C443-C445 PolarHBondContact O-N 2.76Å; C445-N447 PolarHBondContact O-N 3Å; C445-N447 PolarHBondContact O-ND2 2.9Å
446	D	73	Confident	59.6	Low	9 Å²	9	90.3 Å²	90.3	5%	0.048	53%	0.532	C	S	.	.			trans	-71.4	123.4	171.7	169.9	19	0	0	0	109.4	C430 C439 D440 C443 M448 C449	C430-D446 PolarHBondContact SG-N 3.36Å; C430-D446 VanDerWaalsContact SG-N 3.41Å; C439-D446 VanDerWaalsContact CA-OD2 3.25Å; C439-D446 WeakPolarHBondContact CA-OD2 3.38Å; D440-D446 PolarHBondContact N-OD2 2.9Å; C443-D446 HydrophobicContact CB-CB 4.05Å; D446-M448 VanDerWaalsContact C-N 3.32Å; D446-M448 VanDerWaalsContact OD1-CB 3.28Å; D446-M448 WeakPolarHBondContact OD1-CB 3.28Å; D446-M448 PolarHBondContact OD1-N 2.94Å; D446-C449 PolarHBondContact OD2-SG 3.26Å
447	N	70.3	Confident	58	Low	151 Å²	151	93.3 Å²	93.3	81%	0.807	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.5	-177	-61.9	-85.9	0	0	0	112.8	C445	C445-N447 PolarHBondContact O-N 3Å; C445-N447 PolarHBondContact O-ND2 2.9Å
448	M	74.9	Confident	56.5	Low	97 Å²	97	91.1 Å²	91.1	48%	0.478	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.6	172.4	-56.8	-63.2	167.6	0	0	111.7	N437 D446	N437-M448 WeakPolarHBondContact OD1-CE 3.27Å; D446-M448 VanDerWaalsContact C-N 3.32Å; D446-M448 VanDerWaalsContact OD1-CB 3.28Å; D446-M448 WeakPolarHBondContact OD1-CB 3.28Å; D446-M448 PolarHBondContact OD1-N 2.94Å
449	C	68.9	Low	54.7	Low	26 Å²	26	92.1 Å²	92.1	18%	0.176	54%	0.544	C	S	.	.	S	Bend	trans	-74.7	131.2	174.4	-74.4	0	0	0	0	112.7	C439 D446 V451	C439-C449 WeakPolarHBondContact CA-SG 3.39Å; C439-C449 HydrophobicContact CB-CB 4.02Å; C439-C449 WeakPolarHBondContact CB-SG 3.46Å; C439-C449 WeakPolarHBondContact SG-CA 3.46Å; C439-C449 WeakPolarHBondContact SG-CB 3.32Å; C439-C449 CovalentContact SG-SG 2.05Å; C439-C449 PolarHBondContact SG-SG 2.92Å; D446-C449 PolarHBondContact OD2-SG 3.26Å; C449-V451 PolarHBondContact O-N 3Å; C449-V451 VanDerWaalsContact O-N 3.13Å
450	P	67.5	Low	52.6	Low	76 Å²	76	93.4 Å²	93.4	49%	0.494	55%	0.553	S	S	.	*			trans	-70	112.6	-179.5	27.5	-33.7	0	0	0	111.4	N452 Q453	P450-N452 PolarHBondContact O-N 3.09Å; P450-Q453 PolarHBondContact O-N 2.82Å
451	V	58.5	Low	51.2	Low	153 Å²	153	99.8 Å²	99.8	93%	0.927	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.7	-18.7	-175.5	-161.8	0	0	0	0	115.6	C449	C449-V451 PolarHBondContact O-N 3Å; C449-V451 VanDerWaalsContact O-N 3.13Å
452	N	46.6	Very low	49.7	Very low	146 Å²	146	101 Å²	101	78%	0.781	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	10.3	-168.2	57.6	-5.4	0	0	0	115.2	P450	P450-N452 PolarHBondContact O-N 3.09Å
453	Q	40.6	Very low	48.1	Very low	134 Å²	134	101.6 Å²	101.6	63%	0.626	59%	0.585	S	S	*	*			trans	-96	123	155.2	-72.7	-157.1	-1.2	0	0	110.5	P450 T455	P450-Q453 PolarHBondContact O-N 2.82Å; Q453-T455 HydrophobicContact CB-CG2 4.18Å; Q453-T455 PolarHBondContact O-N 3Å
454	S	38.3	Very low	46.6	Very low	122 Å²	122	104.2 Å²	104.2	85%	0.853	61%	0.614	S	S	*	*			trans	-75.5	59.6	160.6	61.4	0	0	0	0	109.7	V456	S454-V456 PolarHBondContact O-N 2.94Å
455	T	36.2	Very low	45	Very low	72 Å²	72	110.3 Å²	110.3	44%	0.442	62%	0.624	S	S	.	*			trans	-51.8	138.6	162.3	37.7	0	0	0	0	107.7	Q453 K457	Q453-T455 HydrophobicContact CB-CG2 4.18Å; Q453-T455 PolarHBondContact O-N 3Å; T455-K457 PolarHBondContact O-N 3.38Å; T455-K457 VanDerWaalsContact O-N 3.07Å
456	V	36.4	Very low	43.2	Very low	126 Å²	126	115.2 Å²	115.2	76%	0.764	64%	0.64	S	S	*	*			trans	-54.5	121.4	-167.4	179.2	0	0	0	0	109.4	S454 S458	S454-V456 PolarHBondContact O-N 2.94Å; V456-S458 PolarHBondContact O-N 2.87Å
457	K	32.1	Very low	41.2	Very low	201 Å²	201	122.2 Å²	122.2	87%	0.874	68%	0.677	S	S	*	*			trans	-66	73.3	163.5	-81.5	-167.8	172.7	-171.7	0	108.7	T455 S459	T455-K457 PolarHBondContact O-N 3.38Å; T455-K457 VanDerWaalsContact O-N 3.07Å; K457-S459 PolarHBondContact O-N 3.31Å
458	S	31.9	Very low	39.5	Very low	74 Å²	74	120.7 Å²	120.7	52%	0.517	67%	0.668	S	S	.	*			trans	-64.8	114	167	-171.4	0	0	0	0	105.9	V456 S460	V456-S458 PolarHBondContact O-N 2.87Å; S458-S460 VanDerWaalsContact CB-O 3.25Å; S458-S460 WeakPolarHBondContact CB-O 3.33Å; S458-S460 PolarHBondContact O-N 3.1Å; S458-S460 PolarHBondContact OG-O 2.93Å
459	S	31.8	Very low	37.8	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	67%	0.667	S	S	*	*	S	Bend	trans	-74.8	38.6	177	59.4	0	0	0	0	111.5	K457	K457-S459 PolarHBondContact O-N 3.31Å
460	S	26.9	Very low	36.6	Very low	67 Å²	67	121.5 Å²	121.5	47%	0.469	68%	0.677	S	S	.	*			trans	-176.1	105.8	-170.4	-178.8	0	0	0	0	104.7	S458	S458-S460 VanDerWaalsContact CB-O 3.25Å; S458-S460 WeakPolarHBondContact CB-O 3.33Å; S458-S460 PolarHBondContact O-N 3.1Å; S458-S460 PolarHBondContact OG-O 2.93Å
461	F	37.6	Very low	35.5	Very low	166 Å²	166	121.1 Å²	121.1	73%	0.728	67%	0.666	S	S	*	*	S	Bend	cis	-109	150.3	16.5	-79.7	-128.4	0	0	0	112.3
462	F	30.1	Very low	35	Very low	171 Å²	171	119.6 Å²	119.6	75%	0.75	65%	0.648	S	S	*	*	S	Bend	trans	47.8	71.3	165.7	-47.9	-59.2	0	0	0	117.6
463	G	24.4	Very low	35.2	Very low	70 Å²	70	112.7 Å²	112.7	72%	0.722	61%	0.612	S	S	*	*	S	Bend	trans	-162.3	15	179.4	0	0	0	0	0	118.5
464	G	25.4	Very low	35.7	Very low	64 Å²	64	108 Å²	108	66%	0.66	59%	0.593	S	S	*	*	S	Bend	trans	-172.3	167	179.8	0	0	0	0	0	113	F466	G464-F466 PolarHBondContact O-N 2.98Å
465	Y	26.5	Very low	36.1	Very low	240 Å²	240	105.4 Å²	105.4	94%	0.941	57%	0.57	S	S	*	*			trans	-58.9	96.4	178.9	-87	-100.1	0	0	0	111.2
466	F	29.3	Very low	36.6	Very low	153 Å²	153	102.2 Å²	102.2	67%	0.671	55%	0.551	S	S	*	*			trans	-125.4	110.9	167	-130.3	-87.8	0	0	0	106.7	G464 L468	G464-F466 PolarHBondContact O-N 2.98Å; F466-L468 PolarHBondContact O-N 3.26Å
467	N	31.4	Very low	36.9	Very low	156 Å²	156	99.4 Å²	99.4	83%	0.834	53%	0.53	S	S	*	.			trans	-71.5	71.7	162.5	-74.9	6	0	0	0	107.9
468	L	33.9	Very low	37.4	Very low	118 Å²	118	95.7 Å²	95.7	62%	0.618	52%	0.519	S	S	*	.			trans	-52.5	126	147	-87.7	150.1	0	0	0	105.8	F466	F466-L468 PolarHBondContact O-N 3.26Å
469	P	39.1	Very low	37.5	Very low	68 Å²	68	96.2 Å²	96.2	44%	0.442	52%	0.516	S	S	.	.			trans	-52.1	149.7	171.3	-23.4	33.3	0	0	0	108.9	Y471	P469-Y471 HydrophobicContact CB-CE1 3.9Å; P469-Y471 HydrophobicContact CB-CE2 4.1Å; P469-Y471 HydrophobicContact CG-CE2 4.29Å; P469-Y471 WeakPolarHBondContact O-CD2 3.08Å; P469-Y471 VanDerWaalsContact O-CG 3.27Å; P469-Y471 PolarHBondContact O-N 2.68Å
470	N	44.7	Very low	37.6	Very low	72 Å²	72	99 Å²	99	39%	0.385	51%	0.511	S	S	.	.	S	Bend	trans	-74.2	24.9	-144.8	-151.5	4.9	0	0	0	115.2	H472 S473 A476	N470-H472 PolarHBondContact O-N 3.28Å; N470-S473 VanDerWaalsContact CG-CB 3.5Å; N470-S473 WeakPolarHBondContact O-CA 3.42Å; N470-S473 VanDerWaalsContact O-CB 3.26Å; N470-S473 WeakPolarHBondContact O-CB 3.41Å; N470-S473 PolarHBondContact O-N 3.48Å; N470-S473 WeakPolarHBondContact OD1-CB 3.48Å; N470-A476 VanDerWaalsContact C-CB 3.42Å; N470-A476 HydrophobicContact CB-CB 4.11Å; N470-A476 WeakPolarHBondContact O-CB 3.19Å
471	Y	44.9	Very low	38	Very low	68 Å²	68	99.9 Å²	99.9	27%	0.267	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-26.6	-163.8	-51.4	-53.4	0	0	0	117.7	P469 I481 L490	P469-Y471 HydrophobicContact CB-CE1 3.9Å; P469-Y471 HydrophobicContact CB-CE2 4.1Å; P469-Y471 HydrophobicContact CG-CE2 4.29Å; P469-Y471 WeakPolarHBondContact O-CD2 3.08Å; P469-Y471 VanDerWaalsContact O-CG 3.27Å; P469-Y471 PolarHBondContact O-N 2.68Å; Y471-I481 HydrophobicContact CE1-CD1 3.92Å; Y471-L490 HydrophobicContact CE1-CD1 4.31Å
472	H	46.4	Very low	38.1	Very low	121 Å²	121	100.2 Å²	100.2	56%	0.56	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.5	175.7	-71.5	-74.9	0	0	0	113.5	N470 C506 V507	N470-H472 PolarHBondContact O-N 3.28Å; H472-C506 CarbonylContact O-C 3.53Å; H472-C506 WeakPolarHBondContact O-CA 3.34Å; H472-C506 WeakPolarHBondContact O-CB 3.32Å; H472-V507 PolarHBondContact O-N 3.42Å
473	S	52	Low	38.4	Very low	1 Å²	1	97.4 Å²	97.4	1%	0.007	51%	0.506	C	S	.	.	S	Bend	trans	-58.9	140.3	170.8	177.7	0	0	0	0	111.4	N470 D475 A476 H502 V507	N470-S473 VanDerWaalsContact CG-CB 3.5Å; N470-S473 WeakPolarHBondContact O-CA 3.42Å; N470-S473 VanDerWaalsContact O-CB 3.26Å; N470-S473 WeakPolarHBondContact O-CB 3.41Å; N470-S473 PolarHBondContact O-N 3.48Å; N470-S473 WeakPolarHBondContact OD1-CB 3.48Å; S473-D475 PolarHBondContact O-N 2.72Å; S473-D475 PolarHBondContact OG-N 2.83Å; S473-D475 PolarHBondContact OG-OD2 2.97Å; S473-A476 WeakPolarHBondContact O-CB 2.91Å; S473-A476 PolarHBondContact O-N 3.08Å; S473-H502 PolarHBondContact O-CE1 3.05Å; S473-H502 VanDerWaalsContact O-CE1 3.29Å; S473-H502 PolarHBondContact O-NE2 3.46Å; S473-V507 WeakPolarHBondContact CA-O 3.47Å
474	C	49.8	Very low	39.2	Very low	35 Å²	35	100.5 Å²	100.5	24%	0.236	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.8	171.7	-56.6	0	0	0	0	112.1	C506	C474-C506 WeakPolarHBondContact CA-SG 3.49Å; C474-C506 HydrophobicContact CB-CB 3.85Å; C474-C506 WeakPolarHBondContact CB-SG 3.21Å; C474-C506 WeakPolarHBondContact SG-CB 3.36Å; C474-C506 CovalentContact SG-SG 2.04Å; C474-C506 PolarHBondContact SG-SG 2.77Å
475	D	47.5	Very low	39.7	Very low	69 Å²	69	105.6 Å²	105.6	37%	0.369	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.2	178.2	-44.3	-64.7	0	0	0	112.2	S473 M477 L478	S473-D475 PolarHBondContact O-N 2.72Å; S473-D475 PolarHBondContact OG-N 2.83Å; S473-D475 PolarHBondContact OG-OD2 2.97Å; D475-M477 PolarHBondContact O-N 3.43Å; D475-M477 VanDerWaalsContact O-N 3.13Å; D475-L478 WeakPolarHBondContact O-CB 3.14Å; D475-L478 PolarHBondContact O-N 3.2Å
476	A	46.3	Very low	40.3	Very low	5 Å²	5	98.4 Å²	98.4	4%	0.041	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	11.6	-178.4	0	0	0	0	0	114.9	N470 S473 K497	N470-A476 VanDerWaalsContact C-CB 3.42Å; N470-A476 HydrophobicContact CB-CB 4.11Å; N470-A476 WeakPolarHBondContact O-CB 3.19Å; S473-A476 WeakPolarHBondContact O-CB 2.91Å; S473-A476 PolarHBondContact O-N 3.08Å; A476-K497 PolarHBondContact O-NZ 3.37Å
477	M	44.1	Very low	40.9	Very low	66 Å²	66	95.6 Å²	95.6	33%	0.325	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30	151.9	-81.2	-67.4	-176.2	0	0	111.8	D475 H502	D475-M477 PolarHBondContact O-N 3.43Å; D475-M477 VanDerWaalsContact O-N 3.13Å; M477-H502 HydrophobicContact CE-CB 3.69Å
478	L	40.9	Very low	41.4	Very low	123 Å²	123	93.3 Å²	93.3	64%	0.644	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-37.6	-174	-57.1	173.8	0	0	0	113.8	D475	D475-L478 WeakPolarHBondContact O-CB 3.14Å; D475-L478 PolarHBondContact O-N 3.2Å
479	D	34.7	Very low	41.6	Very low	86 Å²	86	90.9 Å²	90.9	46%	0.46	45%	0.448	S	S	.	.	S	Bend	trans	-88.6	135.4	-160.3	-144.5	-7.3	0	0	0	116.2
480	R	33.9	Very low	41.6	Very low	161 Å²	161	89.7 Å²	89.7	61%	0.608	44%	0.438	S	S	*	.			trans	-5.1	124.7	172.2	-72.3	168.1	-91.1	-155.2	-4.1	120.2	E830	R480-E830 IonicContact CZ-OE1 3.47Å; R480-E830 IonicContact NH1-OE1 2.69Å; R480-E830 PolarHBondContact NH1-OE1 3Å
481	I	35.6	Very low	41.3	Very low	84 Å²	84	91.6 Å²	91.6	43%	0.431	45%	0.447	S	S	.	.			trans	-135.4	98.9	146.8	-50.9	176.9	0	0	0	108.6	Y471 N483 L490	Y471-I481 HydrophobicContact CE1-CD1 3.92Å; I481-N483 PolarHBondContact O-N 3.27Å; I481-L490 HydrophobicContact CD1-CD1 4.24Å
482	E	40.2	Very low	40.9	Very low	174 Å²	174	94.3 Å²	94.3	81%	0.813	47%	0.466	S	S	*	.			trans	-74	-19.2	-175.2	-75	-175.8	113.6	0	0	115.2
483	N	35.1	Very low	40.4	Very low	112 Å²	112	96.5 Å²	96.5	60%	0.599	47%	0.469	S	S	*	.			trans	-111.9	116.8	-172.1	-71.9	-58.6	0	0	0	112.5	I481 E485 N486	I481-N483 PolarHBondContact O-N 3.27Å; N483-E485 VanDerWaalsContact C-N 3.25Å; N483-E485 PolarHBondContact O-N 2.88Å; N483-N486 PolarHBondContact O-N 3.43Å
484	Q	41.5	Very low	39.4	Very low	134 Å²	134	98.9 Å²	98.9	63%	0.626	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.1	-176.5	-71.8	179.7	-81.8	0	0	114.1	N486 K487	Q484-N486 VanDerWaalsContact C-N 3.29Å; Q484-N486 PolarHBondContact O-N 2.84Å; Q484-K487 WeakPolarHBondContact O-CB 3.45Å; Q484-K487 PolarHBondContact O-N 2.84Å
485	E	36.8	Very low	38.6	Very low	171 Å²	171	103.9 Å²	103.9	80%	0.799	51%	0.512	S	S	*	.	H	α-helix	trans	-60.6	-36.5	-175.2	-60.3	-171.7	140.6	0	0	112.7	N483 K487	N483-E485 VanDerWaalsContact C-N 3.25Å; N483-E485 PolarHBondContact O-N 2.88Å; E485-K487 VanDerWaalsContact C-N 3.28Å; E485-K487 PolarHBondContact O-N 3.05Å
486	N	39.3	Very low	38.1	Very low	90 Å²	90	105.5 Å²	105.5	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-71.3	-19.8	177.5	-72.6	-25.6	0	0	0	113.5	N483 Q484 I488 L490	N483-N486 PolarHBondContact O-N 3.43Å; Q484-N486 VanDerWaalsContact C-N 3.29Å; Q484-N486 PolarHBondContact O-N 2.84Å; N486-I488 VanDerWaalsContact C-N 3.28Å; N486-I488 PolarHBondContact O-N 3.25Å; N486-L490 WeakPolarHBondContact O-CG 3.36Å; N486-L490 PolarHBondContact O-N 2.81Å
487	K	40.8	Very low	38	Very low	93 Å²	93	110.7 Å²	110.7	40%	0.404	55%	0.546	S	S	.	.	H	α-helix	trans	-60.9	-38.1	179.2	-171	-175.7	172.9	-172.6	0	111.3	Q484 E485 I491 D587	Q484-K487 WeakPolarHBondContact O-CB 3.45Å; Q484-K487 PolarHBondContact O-N 2.84Å; E485-K487 VanDerWaalsContact C-N 3.28Å; E485-K487 PolarHBondContact O-N 3.05Å; K487-I491 HydrophobicContact CG-CD1 4.4Å; K487-I491 WeakPolarHBondContact O-CD1 3.48Å; K487-I491 VanDerWaalsContact O-CG1 3.31Å; K487-I491 WeakPolarHBondContact O-CG1 3.26Å; K487-I491 PolarHBondContact O-N 2.82Å; K487-D587 IonicContact NZ-OD1 3.76Å; K487-D587 PolarHBondContact NZ-OD1 3.26Å
488	I	41.5	Very low	38.1	Very low	109 Å²	109	111.1 Å²	111.1	56%	0.559	55%	0.55	S	S	*	.	H	α-helix	trans	-75.9	-45.4	-175.2	-63.5	175.3	0	0	0	111	N486 L490 I491 N492	N486-I488 VanDerWaalsContact C-N 3.28Å; N486-I488 PolarHBondContact O-N 3.25Å; I488-L490 PolarHBondContact O-N 3.36Å; I488-I491 PolarHBondContact O-N 2.75Å; I488-N492 WeakPolarHBondContact CG2-ND2 3.06Å; I488-N492 WeakPolarHBondContact O-CB 3.31Å; I488-N492 PolarHBondContact O-N 3.45Å; I488-N492 PolarHBondContact O-ND2 2.6Å
489	D	38	Very low	38.4	Very low	67 Å²	67	107.8 Å²	107.8	36%	0.358	54%	0.535	S	S	.	.	H	α-helix	trans	-64.3	-38	179.8	-174.9	64.6	0	0	0	112.4	N492 R493	D489-N492 PolarHBondContact O-N 2.78Å; D489-R493 VanDerWaalsContact O-CB 3.3Å; D489-R493 WeakPolarHBondContact O-CB 3.49Å; D489-R493 VanDerWaalsContact O-CG 3.31Å; D489-R493 WeakPolarHBondContact O-CG 3.46Å; D489-R493 PolarHBondContact O-N 2.93Å; D489-R493 IonicContact OD1-CZ 2.8Å; D489-R493 IonicContact OD1-NE 3.32Å; D489-R493 IonicContact OD1-NH1 2.67Å; D489-R493 WeakPolarHBondContact OD2-CD 3.27Å; D489-R493 IonicContact OD2-CZ 3.12Å; D489-R493 IonicContact OD2-NE 2.73Å; D489-R493 IonicContact OD2-NH1 3.21Å; D489-R493 PolarHBondContact OD2-NH1 2.7Å
490	L	39.3	Very low	38.9	Very low	43 Å²	43	108.1 Å²	108.1	23%	0.225	54%	0.537	C	S	.	.	H	α-helix	trans	-65.4	-41.1	176	-71.1	170.6	0	0	0	113	Y471 I481 N486 I488 R493	Y471-L490 HydrophobicContact CE1-CD1 4.31Å; I481-L490 HydrophobicContact CD1-CD1 4.24Å; N486-L490 WeakPolarHBondContact O-CG 3.36Å; N486-L490 PolarHBondContact O-N 2.81Å; I488-L490 PolarHBondContact O-N 3.36Å; L490-R493 PolarHBondContact O-N 3.25Å
491	I	39.7	Very low	39.6	Very low	111 Å²	111	105.9 Å²	105.9	57%	0.569	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-44.3	174.6	-69.3	168.7	0	0	0	110.3	K487 I488 R493 G494	K487-I491 HydrophobicContact CG-CD1 4.4Å; K487-I491 WeakPolarHBondContact O-CD1 3.48Å; K487-I491 VanDerWaalsContact O-CG1 3.31Å; K487-I491 WeakPolarHBondContact O-CG1 3.26Å; K487-I491 PolarHBondContact O-N 2.82Å; I488-I491 PolarHBondContact O-N 2.75Å; I491-R493 VanDerWaalsContact C-N 3.29Å; I491-R493 PolarHBondContact O-N 2.96Å; I491-G494 PolarHBondContact O-N 3.38Å
492	N	35.8	Very low	40.5	Very low	125 Å²	125	103.1 Å²	103.1	67%	0.668	52%	0.515	S	S	*	.	H	α-helix	trans	-66.8	-28.8	179.4	-70.8	-18.3	0	0	0	113.1	I488 D489 G494	I488-N492 WeakPolarHBondContact CG2-ND2 3.06Å; I488-N492 WeakPolarHBondContact O-CB 3.31Å; I488-N492 PolarHBondContact O-N 3.45Å; I488-N492 PolarHBondContact O-ND2 2.6Å; D489-N492 PolarHBondContact O-N 2.78Å; N492-G494 VanDerWaalsContact C-N 3.29Å; N492-G494 PolarHBondContact O-N 3Å
493	R	35.6	Very low	41.1	Very low	167 Å²	167	96.7 Å²	96.7	63%	0.63	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	0.6	176.6	-76.5	176.2	155.3	162.6	-9.5	114.6	D489 L490 I491 F495	D489-R493 VanDerWaalsContact O-CB 3.3Å; D489-R493 WeakPolarHBondContact O-CB 3.49Å; D489-R493 VanDerWaalsContact O-CG 3.31Å; D489-R493 WeakPolarHBondContact O-CG 3.46Å; D489-R493 PolarHBondContact O-N 2.93Å; D489-R493 IonicContact OD1-CZ 2.8Å; D489-R493 IonicContact OD1-NE 3.32Å; D489-R493 IonicContact OD1-NH1 2.67Å; D489-R493 WeakPolarHBondContact OD2-CD 3.27Å; D489-R493 IonicContact OD2-CZ 3.12Å; D489-R493 IonicContact OD2-NE 2.73Å; D489-R493 IonicContact OD2-NH1 3.21Å; D489-R493 PolarHBondContact OD2-NH1 2.7Å; L490-R493 PolarHBondContact O-N 3.25Å; I491-R493 VanDerWaalsContact C-N 3.29Å; I491-R493 PolarHBondContact O-N 2.96Å; R493-F495 VanDerWaalsContact C-N 3.32Å; R493-F495 HydrophobicContact CB-CD2 3.79Å; R493-F495 HydrophobicContact CB-CE2 3.9Å; R493-F495 PolarHBondContact O-N 3.16Å
494	G	31.4	Very low	41.9	Very low	52 Å²	52	93.9 Å²	93.9	54%	0.536	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	13.5	169.8	0	0	0	0	0	115.5	I491 N492 T496	I491-G494 PolarHBondContact O-N 3.38Å; N492-G494 VanDerWaalsContact C-N 3.29Å; N492-G494 PolarHBondContact O-N 3Å; G494-T496 PolarHBondContact O-N 3.15Å
495	F	33.8	Very low	42.5	Very low	140 Å²	140	93.4 Å²	93.4	61%	0.614	47%	0.474	S	S	*	.			trans	-71.7	95.6	174.7	-71.6	-77.7	0	0	0	110.2	R493 K497	R493-F495 VanDerWaalsContact C-N 3.32Å; R493-F495 HydrophobicContact CB-CD2 3.79Å; R493-F495 HydrophobicContact CB-CE2 3.9Å; R493-F495 PolarHBondContact O-N 3.16Å; F495-K497 PolarHBondContact O-N 3.15Å
496	T	36.4	Very low	43.4	Very low	102 Å²	102	86.5 Å²	86.5	63%	0.626	44%	0.444	S	S	*	.			trans	-73.6	92.7	-172.6	37.3	0	0	0	0	112.9	G494 L498	G494-T496 PolarHBondContact O-N 3.15Å; T496-L498 HydrophobicContact CG2-CD1 3.89Å; T496-L498 HydrophobicContact CG2-CG 4.19Å; T496-L498 PolarHBondContact O-N 2.73Å
497	K	43	Very low	43.9	Very low	114 Å²	114	86.2 Å²	86.2	50%	0.496	45%	0.446	S	S	.	.			trans	-65.3	63.2	151.5	-82.5	-159.1	168.5	-162.1	0	110.4	A476 F495	A476-K497 PolarHBondContact O-NZ 3.37Å; F495-K497 PolarHBondContact O-N 3.15Å
498	L	46.4	Very low	44.4	Very low	75 Å²	75	83.7 Å²	83.7	39%	0.393	44%	0.442	S	S	.	.			trans	-90.5	115.3	167.2	-77.4	171	0	0	0	107.9	T496 D500 Y501 H502	T496-L498 HydrophobicContact CG2-CD1 3.89Å; T496-L498 HydrophobicContact CG2-CG 4.19Å; T496-L498 PolarHBondContact O-N 2.73Å; L498-D500 PolarHBondContact O-N 2.89Å; L498-D500 VanDerWaalsContact O-N 3.08Å; L498-Y501 HydrophobicContact CB-CD2 3.87Å; L498-Y501 HydrophobicContact CD1-CD2 3.94Å; L498-Y501 HydrophobicContact CD1-CE2 4.04Å; L498-Y501 PolarHBondContact O-N 2.65Å; L498-Y501 VanDerWaalsContact O-N 3.08Å; L498-H502 PolarHBondContact O-N 3.38Å
499	P	47.2	Very low	44.8	Very low	53 Å²	53	82 Å²	82	34%	0.344	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.8	-178.2	-27.6	36.2	0	0	0	113.8	Y501 P503	P499-Y501 VanDerWaalsContact C-N 3.27Å; P499-Y501 PolarHBondContact O-N 2.97Å; P499-P503 WeakPolarHBondContact O-CD 3.07Å
500	D	45.5	Very low	45.2	Very low	93 Å²	93	85.3 Å²	85.3	50%	0.497	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.1	179.7	-54.9	-31.2	0	0	0	114.2	L498	L498-D500 PolarHBondContact O-N 2.89Å; L498-D500 VanDerWaalsContact O-N 3.08Å
501	Y	48.9	Very low	45.2	Very low	114 Å²	114	90.4 Å²	90.4	45%	0.447	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-27.9	-174.7	-66.1	-75.3	0	0	0	113.7	L498 P499 L504 L505 F531	L498-Y501 HydrophobicContact CB-CD2 3.87Å; L498-Y501 HydrophobicContact CD1-CD2 3.94Å; L498-Y501 HydrophobicContact CD1-CE2 4.04Å; L498-Y501 PolarHBondContact O-N 2.65Å; L498-Y501 VanDerWaalsContact O-N 3.08Å; P499-Y501 VanDerWaalsContact C-N 3.27Å; P499-Y501 PolarHBondContact O-N 2.97Å; Y501-L504 PolarHBondContact O-N 2.98Å; Y501-L505 PolarHBondContact O-N 3.11Å; Y501-F531 HydrophobicContact CD1-CE2 4.09Å; Y501-F531 HydrophobicContact CD1-CZ 4.11Å; Y501-F531 AromaticContact CE1-CE2 3.97Å; Y501-F531 HydrophobicContact CE1-CE2 3.97Å; Y501-F531 HydrophobicContact CE1-CZ 4.03Å
502	H	54.6	Low	45.2	Very low	26 Å²	26	87 Å²	87	12%	0.12	47%	0.468	C	S	.	.	H	α-helix	trans	-56.2	-43.1	-176.5	-178.7	78.6	0	0	0	113.7	S473 M477 L498 L504 L505 C506	S473-H502 PolarHBondContact O-CE1 3.05Å; S473-H502 VanDerWaalsContact O-CE1 3.29Å; S473-H502 PolarHBondContact O-NE2 3.46Å; M477-H502 HydrophobicContact CE-CB 3.69Å; L498-H502 PolarHBondContact O-N 3.38Å; H502-L504 PolarHBondContact O-N 3.29Å; H502-L505 PolarHBondContact O-N 3.04Å; H502-C506 VanDerWaalsContact O-CB 3.3Å; H502-C506 WeakPolarHBondContact O-CB 3.09Å; H502-C506 PolarHBondContact O-N 2.04Å
503	P	52.4	Low	45.3	Very low	39 Å²	39	86.3 Å²	86.3	25%	0.253	48%	0.48	S	S	.	.	H	α-helix	trans	-62.9	-10.9	176.8	-23.7	35.1	0	0	0	115.9	P499 F765	P499-P503 WeakPolarHBondContact O-CD 3.07Å; P503-F765 HydrophobicContact CG-CZ 4.34Å
504	L	52.3	Low	45.5	Very low	53 Å²	53	82.7 Å²	82.7	28%	0.277	48%	0.476	S	S	.	.	H	α-helix	trans	-104.9	-11.4	177.2	-64.3	173	0	0	0	113.2	Y501 H502 L522 F531 N534 V535	Y501-L504 PolarHBondContact O-N 2.98Å; H502-L504 PolarHBondContact O-N 3.29Å; L504-L522 HydrophobicContact CD2-CD1 4.1Å; L504-F531 HydrophobicContact CD1-CD2 3.83Å; L504-F531 HydrophobicContact CD1-CE1 4.45Å; L504-F531 HydrophobicContact CD1-CE2 3.24Å; L504-F531 HydrophobicContact CD1-CZ 3.61Å; L504-N534 HydrophobicContact CD2-CB 4.48Å; L504-V535 HydrophobicContact CD1-CG2 3.86Å; L504-V535 HydrophobicContact CD2-CG2 4.24Å; L504-V535 HydrophobicContact CG-CG2 4.2Å
505	L	54.7	Low	45.9	Very low	125 Å²	125	86.1 Å²	86.1	65%	0.654	48%	0.481	S	S	*	.	H	α-helix	trans	-127.2	1.8	-172.4	-61.4	177.4	0	0	0	113	Y501 H502	Y501-L505 PolarHBondContact O-N 3.11Å; H502-L505 PolarHBondContact O-N 3.04Å
506	C	55.9	Low	46.3	Very low	26 Å²	26	80.5 Å²	80.5	18%	0.176	46%	0.463	C	S	.	.			trans	-83.3	155.7	176.6	72.7	0	0	0	0	112.2	H472 C474 H502	H472-C506 CarbonylContact O-C 3.53Å; H472-C506 WeakPolarHBondContact O-CA 3.34Å; H472-C506 WeakPolarHBondContact O-CB 3.32Å; C474-C506 WeakPolarHBondContact CA-SG 3.49Å; C474-C506 HydrophobicContact CB-CB 3.85Å; C474-C506 WeakPolarHBondContact CB-SG 3.21Å; C474-C506 WeakPolarHBondContact SG-CB 3.36Å; C474-C506 CovalentContact SG-SG 2.04Å; C474-C506 PolarHBondContact SG-SG 2.77Å; H502-C506 VanDerWaalsContact O-CB 3.3Å; H502-C506 WeakPolarHBondContact O-CB 3.09Å; H502-C506 PolarHBondContact O-N 2.04Å
507	V	49.2	Very low	46.6	Very low	84 Å²	84	82.4 Å²	82.4	51%	0.509	46%	0.462	S	S	.	.			trans	-125.1	103.5	-173.1	-179.9	0	0	0	0	107.8	H472 S473 V509	H472-V507 PolarHBondContact O-N 3.42Å; S473-V507 WeakPolarHBondContact CA-O 3.47Å; V507-V509 PolarHBondContact O-N 3.07Å
508	A	51.2	Low	46.8	Very low	40 Å²	40	82.7 Å²	82.7	33%	0.331	46%	0.461	S	S	.	.			trans	-59.9	125.8	177.2	0	0	0	0	0	110.5
509	V	49.7	Very low	46.7	Very low	73 Å²	73	84.6 Å²	84.6	44%	0.442	47%	0.468	S	S	.	.			trans	-98.9	-20	-178.2	-66.3	0	0	0	0	113.5	V507 N511	V507-V509 PolarHBondContact O-N 3.07Å; V509-N511 PolarHBondContact O-N 3.35Å
510	D	45.7	Very low	46.7	Very low	136 Å²	136	85.5 Å²	85.5	73%	0.727	48%	0.475	S	S	*	.			trans	-74.1	93.4	179.6	-103.7	11.9	0	0	0	111.4	S512	D510-S512 VanDerWaalsContact C-N 3.33Å; D510-S512 PolarHBondContact O-N 3.37Å
511	N	39	Very low	47	Very low	150 Å²	150	86.6 Å²	86.6	80%	0.802	49%	0.49	S	S	*	.			trans	-75.9	77.4	-175.7	-172.1	21.7	0	0	0	111.7	V509	V509-N511 PolarHBondContact O-N 3.35Å
512	S	40.7	Very low	47.3	Very low	40 Å²	40	84.4 Å²	84.4	28%	0.28	49%	0.486	S	S	.	.			trans	-60.5	150.4	172.5	95.8	0	0	0	0	111.3	D510 V514	D510-S512 VanDerWaalsContact C-N 3.33Å; D510-S512 PolarHBondContact O-N 3.37Å; S512-V514 PolarHBondContact O-N 3.37Å; S512-V514 PolarHBondContact OG-N 3.22Å; S512-V514 PolarHBondContact OG-O 3.3Å
513	A	38.8	Very low	47.3	Very low	111 Å²	111	86.3 Å²	86.3	92%	0.917	50%	0.502	S	S	*	.	S	Bend	trans	-63.2	-2.1	178.4	0	0	0	0	0	115.2
514	V	39.3	Very low	47.3	Very low	90 Å²	90	89.6 Å²	89.6	55%	0.545	52%	0.523	S	S	.	.	S	Bend	trans	-108.3	97.6	175.9	-173.3	0	0	0	0	109.5	S512 K517	S512-V514 PolarHBondContact O-N 3.37Å; S512-V514 PolarHBondContact OG-N 3.22Å; S512-V514 PolarHBondContact OG-O 3.3Å; V514-K517 HydrophobicContact CG1-CB 4.28Å
515	L	39.6	Very low	47.6	Very low	124 Å²	124	89.4 Å²	89.4	65%	0.649	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	142.5	177	-104.6	96.7	0	0	0	112.2	K517	L515-K517 VanDerWaalsContact C-N 3.28Å; L515-K517 PolarHBondContact O-N 3.18Å
516	G	42.5	Very low	47.7	Very low	22 Å²	22	93.8 Å²	93.8	23%	0.227	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-9.8	167.1	0	0	0	0	0	117.1	Y518 H519	G516-Y518 PolarHBondContact O-N 3.15Å; G516-Y518 VanDerWaalsContact O-N 3.1Å; G516-H519 PolarHBondContact O-N 3.01Å
517	K	42.8	Very low	47.7	Very low	142 Å²	142	95 Å²	95	62%	0.617	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	-174.5	-144.4	-168.8	176.5	-106.6	0	115	V514 L515 E541	V514-K517 HydrophobicContact CG1-CB 4.28Å; L515-K517 VanDerWaalsContact C-N 3.28Å; L515-K517 PolarHBondContact O-N 3.18Å; K517-E541 IonicContact NZ-OE2 2.7Å; K517-E541 PolarHBondContact NZ-OE2 3.34Å
518	Y	47	Very low	47.9	Very low	121 Å²	121	97 Å²	97	48%	0.475	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.5	-7.4	-179.2	-59.7	-73.2	0	0	0	114.8	G516	G516-Y518 PolarHBondContact O-N 3.15Å; G516-Y518 VanDerWaalsContact O-N 3.1Å
519	H	43.9	Very low	48.5	Very low	115 Å²	115	99.2 Å²	99.2	53%	0.532	57%	0.567	S	S	.	*			trans	-117.1	90.8	-176.3	-66	-55.4	0	0	0	111.8	G516 S521	G516-H519 PolarHBondContact O-N 3.01Å; H519-S521 PolarHBondContact O-N 2.95Å
520	S	47.7	Very low	48.9	Very low	72 Å²	72	98.3 Å²	98.3	50%	0.503	56%	0.559	S	S	.	*			trans	-67.5	121.8	161.6	58.7	0	0	0	0	109.6	L522	S520-L522 PolarHBondContact O-N 3.09Å
521	S	50.3	Low	49.6	Very low	116 Å²	116	94.2 Å²	94.2	81%	0.811	54%	0.535	S	S	*	.			trans	-68.3	99.8	177.1	41.6	0	0	0	0	111.4	H519	H519-S521 PolarHBondContact O-N 2.95Å
522	L	55.2	Low	50.5	Low	67 Å²	67	91 Å²	91	35%	0.351	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-78.4	136.7	-178.9	-64.6	173.5	0	0	0	111.4	L504 S520 N534 N537 A538	L504-L522 HydrophobicContact CD2-CD1 4.1Å; S520-L522 PolarHBondContact O-N 3.09Å; L522-N534 HydrophobicContact CD1-CB 4.23Å; L522-N534 HydrophobicContact CD2-CB 4.34Å; L522-N537 HydrophobicContact CD2-CB 3.94Å; L522-A538 HydrophobicContact CD1-CB 4.44Å
523	S	56.4	Low	51.6	Low	66 Å²	66	94.8 Å²	94.8	46%	0.462	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-66.9	138.8	174.1	49	0	0	0	0	111.4	A525 N534	S523-A525 PolarHBondContact O-N 2.75Å; S523-N534 PolarHBondContact O-ND2 2.65Å
524	P	51.8	Low	52.6	Low	108 Å²	108	90 Å²	90	70%	0.701	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-54.5	122.4	-179	-28.4	35.5	0	0	0	113.5	R526	P524-R526 PolarHBondContact O-N 2.72Å; P524-R526 VanDerWaalsContact O-N 3.12Å
525	A	58.7	Low	53.4	Low	50 Å²	50	88.3 Å²	88.3	41%	0.413	48%	0.478	S	S	.	.			trans	-77	98.5	-177.6	0	0	0	0	0	111.5	S523 D530 F531	S523-A525 PolarHBondContact O-N 2.75Å; A525-D530 HydrophobicContact CB-CB 4.1Å; A525-F531 HydrophobicContact CB-CB 4.23Å
526	R	57.1	Low	54.1	Low	216 Å²	216	91.1 Å²	91.1	82%	0.815	49%	0.485	S	S	*	.			trans	-92	-10.8	177	-64.4	-171.8	178	-149.2	-3.4	113.5	P524	P524-R526 PolarHBondContact O-N 2.72Å; P524-R526 VanDerWaalsContact O-N 3.12Å
527	S	55.4	Low	54.6	Low	53 Å²	53	94.1 Å²	94.1	37%	0.371	50%	0.496	S	S	.	.	S	Bend	trans	-137.2	165.8	173.7	78.1	0	0	0	0	112.4	S529 D530 F531	S527-S529 PolarHBondContact O-N 2.81Å; S527-S529 PolarHBondContact OG-N 2.64Å; S527-D530 VanDerWaalsContact CB-OD2 3.27Å; S527-D530 WeakPolarHBondContact CB-OD2 3.29Å; S527-D530 PolarHBondContact N-OD2 2.89Å; S527-D530 PolarHBondContact O-N 2.93Å; S527-D530 VanDerWaalsContact O-N 3.13Å; S527-D530 PolarHBondContact OG-N 3.21Å; S527-D530 PolarHBondContact OG-OD2 2.83Å; S527-F531 PolarHBondContact O-N 3.45Å
528	L	52.5	Low	55.2	Low	126 Å²	126	88.6 Å²	88.6	66%	0.66	48%	0.477	S	S	*	.	H	α-helix	trans	-61.1	-27.2	172.4	-177.1	61.5	0	0	0	112.5	F531 N532	L528-F531 HydrophobicContact CD1-CD1 4.43Å; L528-N532 WeakPolarHBondContact O-CB 3.43Å; L528-N532 PolarHBondContact O-N 2.88Å; L528-N532 PolarHBondContact O-ND2 3.22Å
529	S	64	Low	54.8	Low	86 Å²	86	90.7 Å²	90.7	60%	0.601	49%	0.488	S	S	*	.	H	α-helix	trans	-68.2	-43.1	174.2	-168.4	0	0	0	0	111.1	S527 N532 K533	S527-S529 PolarHBondContact O-N 2.81Å; S527-S529 PolarHBondContact OG-N 2.64Å; S529-N532 PolarHBondContact O-N 2.95Å; S529-K533 VanDerWaalsContact O-CB 3.29Å; S529-K533 WeakPolarHBondContact O-CB 3.41Å; S529-K533 PolarHBondContact O-N 3.02Å
530	D	57.5	Low	54.7	Low	54 Å²	54	88.9 Å²	88.9	29%	0.289	48%	0.482	S	S	.	.	H	α-helix	trans	-68.7	-38.9	178	-50.1	-52.5	0	0	0	111.2	A525 S527 K533 N534	A525-D530 HydrophobicContact CB-CB 4.1Å; S527-D530 VanDerWaalsContact CB-OD2 3.27Å; S527-D530 WeakPolarHBondContact CB-OD2 3.29Å; S527-D530 PolarHBondContact N-OD2 2.89Å; S527-D530 PolarHBondContact O-N 2.93Å; S527-D530 VanDerWaalsContact O-N 3.13Å; S527-D530 PolarHBondContact OG-N 3.21Å; S527-D530 PolarHBondContact OG-OD2 2.83Å; D530-K533 PolarHBondContact O-N 2.94Å; D530-N534 WeakPolarHBondContact O-CB 3.41Å; D530-N534 VanDerWaalsContact O-CG 3.26Å; D530-N534 PolarHBondContact O-N 3.5Å; D530-N534 PolarHBondContact O-OD1 3.35Å
531	F	61.6	Low	53.9	Low	49 Å²	49	91.3 Å²	91.3	22%	0.215	49%	0.485	C	S	.	.	H	α-helix	trans	-57.9	-54	172.1	-177.3	-86.2	0	0	0	111.2	Y501 L504 A525 S527 L528 K533 N534 V535	Y501-F531 HydrophobicContact CD1-CE2 4.09Å; Y501-F531 HydrophobicContact CD1-CZ 4.11Å; Y501-F531 AromaticContact CE1-CE2 3.97Å; Y501-F531 HydrophobicContact CE1-CE2 3.97Å; Y501-F531 HydrophobicContact CE1-CZ 4.03Å; L504-F531 HydrophobicContact CD1-CD2 3.83Å; L504-F531 HydrophobicContact CD1-CE1 4.45Å; L504-F531 HydrophobicContact CD1-CE2 3.24Å; L504-F531 HydrophobicContact CD1-CZ 3.61Å; A525-F531 HydrophobicContact CB-CB 4.23Å; S527-F531 PolarHBondContact O-N 3.45Å; L528-F531 HydrophobicContact CD1-CD1 4.43Å; F531-K533 PolarHBondContact O-N 3.46Å; F531-N534 PolarHBondContact O-N 3.4Å; F531-N534 VanDerWaalsContact O-N 3.12Å; F531-V535 HydrophobicContact CD1-CG2 4.18Å; F531-V535 HydrophobicContact CE1-CG2 3.9Å; F531-V535 HydrophobicContact CZ-CG2 4.29Å; F531-V535 WeakPolarHBondContact O-CG2 3.34Å; F531-V535 PolarHBondContact O-N 3.3Å
532	N	57.7	Low	53.4	Low	84 Å²	84	90.8 Å²	90.8	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-32.3	179.2	-70.5	-11.2	0	0	0	112.6	L528 S529 K536	L528-N532 WeakPolarHBondContact O-CB 3.43Å; L528-N532 PolarHBondContact O-N 2.88Å; L528-N532 PolarHBondContact O-ND2 3.22Å; S529-N532 PolarHBondContact O-N 2.95Å; N532-K536 WeakPolarHBondContact O-CG 3.37Å; N532-K536 PolarHBondContact O-N 2.89Å
533	K	63.9	Low	52.3	Low	118 Å²	118	91.2 Å²	91.2	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-70.9	-42.4	173.9	-175.8	-174.7	176.7	-168.6	0	111.7	S529 D530 F531 K536 N537	S529-K533 VanDerWaalsContact O-CB 3.29Å; S529-K533 WeakPolarHBondContact O-CB 3.41Å; S529-K533 PolarHBondContact O-N 3.02Å; D530-K533 PolarHBondContact O-N 2.94Å; F531-K533 PolarHBondContact O-N 3.46Å; K533-K536 PolarHBondContact O-N 2.77Å; K533-N537 WeakPolarHBondContact O-CB 3.47Å; K533-N537 PolarHBondContact O-N 3.17Å
534	N	59	Low	51.3	Low	10 Å²	10	94.2 Å²	94.2	5%	0.053	48%	0.483	C	S	.	.	H	α-helix	trans	-63.5	-45.2	176.6	-79.3	1.2	0	0	0	111.6	L504 L522 S523 D530 F531 K536 N537 A538	L504-N534 HydrophobicContact CD2-CB 4.48Å; L522-N534 HydrophobicContact CD1-CB 4.23Å; L522-N534 HydrophobicContact CD2-CB 4.34Å; S523-N534 PolarHBondContact O-ND2 2.65Å; D530-N534 WeakPolarHBondContact O-CB 3.41Å; D530-N534 VanDerWaalsContact O-CG 3.26Å; D530-N534 PolarHBondContact O-N 3.5Å; D530-N534 PolarHBondContact O-OD1 3.35Å; F531-N534 PolarHBondContact O-N 3.4Å; F531-N534 VanDerWaalsContact O-N 3.12Å; N534-K536 VanDerWaalsContact C-N 3.28Å; N534-K536 PolarHBondContact O-N 3.18Å; N534-N537 CarbonylContact O-C 3.57Å; N534-N537 PolarHBondContact O-N 2.85Å; N534-A538 WeakPolarHBondContact O-CB 3.44Å; N534-A538 PolarHBondContact O-N 2.83Å
535	V	56.1	Low	50.8	Low	55 Å²	55	92.6 Å²	92.6	33%	0.333	47%	0.468	S	S	.	.	H	α-helix	trans	-58.8	-38.7	175	173.4	0	0	0	0	111.7	L504 F531	L504-V535 HydrophobicContact CD1-CG2 3.86Å; L504-V535 HydrophobicContact CD2-CG2 4.24Å; L504-V535 HydrophobicContact CG-CG2 4.2Å; F531-V535 HydrophobicContact CD1-CG2 4.18Å; F531-V535 HydrophobicContact CE1-CG2 3.9Å; F531-V535 HydrophobicContact CZ-CG2 4.29Å; F531-V535 WeakPolarHBondContact O-CG2 3.34Å; F531-V535 PolarHBondContact O-N 3.3Å
536	K	53.9	Low	50	Low	184 Å²	184	99.2 Å²	99.2	80%	0.8	49%	0.491	S	S	*	.	H	α-helix	trans	-73.2	-25.2	174.1	-74	-174	176.2	-166.9	0	114.4	N532 K533 N534	N532-K536 WeakPolarHBondContact O-CG 3.37Å; N532-K536 PolarHBondContact O-N 2.89Å; K533-K536 PolarHBondContact O-N 2.77Å; N534-K536 VanDerWaalsContact C-N 3.28Å; N534-K536 PolarHBondContact O-N 3.18Å
537	N	54.2	Low	49.8	Very low	85 Å²	85	91.2 Å²	91.2	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-87.7	-21.4	179.2	-75.3	-4.3	0	0	0	112.9	L522 K533 N534 K539	L522-N537 HydrophobicContact CD2-CB 3.94Å; K533-N537 WeakPolarHBondContact O-CB 3.47Å; K533-N537 PolarHBondContact O-N 3.17Å; N534-N537 CarbonylContact O-C 3.57Å; N534-N537 PolarHBondContact O-N 2.85Å; N537-K539 PolarHBondContact O-N 3.17Å
538	A	54.2	Low	49.4	Very low	25 Å²	25	93.4 Å²	93.4	21%	0.207	48%	0.479	C	S	.	.			trans	-68.8	72	171.8	0	0	0	0	0	110.4	L522 N534 I540	L522-A538 HydrophobicContact CD1-CB 4.44Å; N534-A538 WeakPolarHBondContact O-CB 3.44Å; N534-A538 PolarHBondContact O-N 2.83Å; A538-I540 PolarHBondContact O-N 3.02Å
539	K	39.3	Very low	49.5	Very low	165 Å²	165	90.5 Å²	90.5	72%	0.717	46%	0.464	S	S	*	.			trans	-63.4	103.2	171.3	-80.2	-173	164.2	-161.2	0	109.3	N537 E541	N537-K539 PolarHBondContact O-N 3.17Å; K539-E541 PolarHBondContact O-N 2.9Å
540	I	41.7	Very low	48.8	Very low	77 Å²	77	88.7 Å²	88.7	40%	0.395	45%	0.452	S	S	.	.			trans	-76.5	83.1	160.5	-38.1	177	0	0	0	106.8	A538 Y542	A538-I540 PolarHBondContact O-N 3.02Å; I540-Y542 HydrophobicContact CB-CD2 4.07Å; I540-Y542 HydrophobicContact CB-CE2 3.71Å; I540-Y542 HydrophobicContact CD1-CE2 4.35Å; I540-Y542 HydrophobicContact CG2-CD1 3.85Å; I540-Y542 HydrophobicContact CG2-CD2 3.81Å; I540-Y542 HydrophobicContact CG2-CE1 3.56Å; I540-Y542 HydrophobicContact CG2-CE2 3.51Å; I540-Y542 HydrophobicContact CG2-CG 3.97Å; I540-Y542 WeakPolarHBondContact O-CD2 3.49Å; I540-Y542 PolarHBondContact O-N 3.31Å
541	E	31.6	Very low	48.4	Very low	123 Å²	123	87.2 Å²	87.2	58%	0.575	45%	0.449	S	S	*	.			trans	-73.9	70.2	172.1	-170.4	167.4	-88.7	0	0	108.1	K517 K539	K517-E541 IonicContact NZ-OE2 2.7Å; K517-E541 PolarHBondContact NZ-OE2 3.34Å; K539-E541 PolarHBondContact O-N 2.9Å
542	Y	39.1	Very low	47.8	Very low	106 Å²	106	88 Å²	88	42%	0.416	46%	0.458	S	S	.	.			trans	-53.4	133.3	176.9	-70.6	-75.9	0	0	0	109.7	I540	I540-Y542 HydrophobicContact CB-CD2 4.07Å; I540-Y542 HydrophobicContact CB-CE2 3.71Å; I540-Y542 HydrophobicContact CD1-CE2 4.35Å; I540-Y542 HydrophobicContact CG2-CD1 3.85Å; I540-Y542 HydrophobicContact CG2-CD2 3.81Å; I540-Y542 HydrophobicContact CG2-CE1 3.56Å; I540-Y542 HydrophobicContact CG2-CE2 3.51Å; I540-Y542 HydrophobicContact CG2-CG 3.97Å; I540-Y542 WeakPolarHBondContact O-CD2 3.49Å; I540-Y542 PolarHBondContact O-N 3.31Å
543	P	31.6	Very low	47.7	Very low	75 Å²	75	86.8 Å²	86.8	49%	0.487	45%	0.447	S	S	.	.			trans	-53	143.9	164.6	-25.1	35.4	0	0	0	111	D545	P543-D545 PolarHBondContact O-N 3.22Å; P543-D545 VanDerWaalsContact O-N 3.12Å
544	L	36.5	Very low	46.8	Very low	130 Å²	130	87.4 Å²	87.4	68%	0.681	45%	0.452	S	S	*	.			trans	-70	103.2	159.9	-81.5	165.8	0	0	0	106.8	Q546	L544-Q546 PolarHBondContact O-N 3.27Å
545	D	40.6	Very low	46.2	Very low	73 Å²	73	89.4 Å²	89.4	39%	0.39	46%	0.464	S	S	.	.			trans	-57	105.8	-174.8	-53.3	-61.2	0	0	0	110.3	P543 I547 K694	P543-D545 PolarHBondContact O-N 3.22Å; P543-D545 VanDerWaalsContact O-N 3.12Å; D545-I547 HydrophobicContact CB-CD1 4.33Å; D545-I547 HydrophobicContact CB-CG1 3.86Å; D545-I547 PolarHBondContact O-N 2.68Å; D545-K694 IonicContact OD2-NZ 2.74Å; D545-K694 PolarHBondContact OD2-NZ 3.4Å
546	Q	42.2	Very low	45.5	Very low	189 Å²	189	93 Å²	93	88%	0.883	48%	0.48	S	S	*	.			trans	-79.7	65.4	173.3	-69	-163.2	2	0	0	109.4	L544 S548	L544-Q546 PolarHBondContact O-N 3.27Å; Q546-S548 PolarHBondContact O-N 2.7Å
547	I	52.2	Low	45.1	Very low	48 Å²	48	88.5 Å²	88.5	25%	0.246	47%	0.468	C	S	.	.			trans	-64	105.5	175.1	-50	-177.7	0	0	0	107.9	D545 D549 V790 L800 I826 T828	D545-I547 HydrophobicContact CB-CD1 4.33Å; D545-I547 HydrophobicContact CB-CG1 3.86Å; D545-I547 PolarHBondContact O-N 2.68Å; I547-D549 PolarHBondContact O-N 2.66Å; I547-V790 HydrophobicContact CD1-CG2 3.58Å; I547-L800 HydrophobicContact CD1-CD1 3.91Å; I547-I826 HydrophobicContact CB-CG2 4.44Å; I547-I826 HydrophobicContact CG2-CG2 3.73Å; I547-T828 HydrophobicContact CG2-CG2 3.54Å
548	S	48.3	Very low	44.5	Very low	100 Å²	100	92.6 Å²	92.6	70%	0.699	48%	0.484	S	S	*	.			trans	-69.2	121.4	173.5	55.4	0	0	0	0	109.6	Q546 S550	Q546-S548 PolarHBondContact O-N 2.7Å; S548-S550 PolarHBondContact O-N 2.56Å
549	D	54.9	Low	43.8	Very low	65 Å²	65	100 Å²	100	35%	0.348	52%	0.515	S	S	.	.			trans	-69.7	119.2	169.6	-169.7	2.6	0	0	0	108.9	I547 G551 R553 I826 H827	I547-D549 PolarHBondContact O-N 2.66Å; D549-G551 PolarHBondContact O-N 2.7Å; D549-G551 VanDerWaalsContact O-N 3.16Å; D549-G551 PolarHBondContact OD1-N 2.99Å; D549-R553 IonicContact OD1-CZ 3.94Å; D549-R553 IonicContact OD1-NH1 3.42Å; D549-R553 PolarHBondContact OD1-NH1 3.24Å; D549-R553 IonicContact OD1-NH2 3.68Å; D549-R553 IonicContact OD2-CZ 3.58Å; D549-R553 IonicContact OD2-NH1 2.68Å; D549-R553 PolarHBondContact OD2-NH1 2.77Å; D549-R553 IonicContact OD2-NH2 3.05Å; D549-R553 PolarHBondContact OD2-NH2 2.86Å; D549-I826 HydrophobicContact CB-CG2 3.93Å; D549-H827 PolarHBondContact OD1-N 3.08Å
550	S	48.7	Very low	44.1	Very low	48 Å²	48	101.1 Å²	101.1	34%	0.336	52%	0.519	S	S	.	.			trans	-71.6	-1.1	179.5	57.2	0	0	0	0	113.7	S548 V552 H827	S548-S550 PolarHBondContact O-N 2.56Å; S550-V552 PolarHBondContact O-N 2.94Å; S550-H827 WeakPolarHBondContact CB-O 3.32Å; S550-H827 PolarHBondContact N-O 2.9Å; S550-H827 PolarHBondContact OG-ND1 3.14Å; S550-H827 PolarHBondContact OG-O 3.24Å
551	G	49.8	Very low	44	Very low	22 Å²	22	104.1 Å²	104.1	23%	0.227	54%	0.536	C	S	.	.			trans	73	-23.5	175.8	0	0	0	0	0	114.9	D549	D549-G551 PolarHBondContact O-N 2.7Å; D549-G551 VanDerWaalsContact O-N 3.16Å; D549-G551 PolarHBondContact OD1-N 2.99Å
552	V	48.3	Very low	44.6	Very low	66 Å²	66	104.1 Å²	104.1	40%	0.4	54%	0.536	S	S	.	.			trans	-59.5	139.2	174.4	179.5	0	0	0	0	110.5	S550 E554 H827	S550-V552 PolarHBondContact O-N 2.94Å; V552-E554 HydrophobicContact CG1-CB 4.41Å; V552-H827 VanDerWaalsContact O-CB 3.25Å; V552-H827 WeakPolarHBondContact O-CB 3.5Å
553	R	55	Low	44.8	Very low	58 Å²	58	107 Å²	107	22%	0.219	55%	0.551	C	S	.	*			trans	-131.2	4.5	178	-52.1	-64	177	-129	5.5	113.1	D549 V555 L848 D849	D549-R553 IonicContact OD1-CZ 3.94Å; D549-R553 IonicContact OD1-NH1 3.42Å; D549-R553 PolarHBondContact OD1-NH1 3.24Å; D549-R553 IonicContact OD1-NH2 3.68Å; D549-R553 IonicContact OD2-CZ 3.58Å; D549-R553 IonicContact OD2-NH1 2.68Å; D549-R553 PolarHBondContact OD2-NH1 2.77Å; D549-R553 IonicContact OD2-NH2 3.05Å; D549-R553 PolarHBondContact OD2-NH2 2.86Å; R553-V555 PolarHBondContact O-N 2.7Å; R553-L848 HydrophobicContact CB-CD1 4.29Å; R553-L848 HydrophobicContact CG-CD1 3.78Å; R553-D849 IonicContact NH2-OD2 3.88Å; R553-D849 PolarHBondContact NH2-OD2 2.87Å; R553-D849 VanDerWaalsContact NH2-OD2 3.08Å
554	E	46.5	Very low	45.7	Very low	132 Å²	132	110.3 Å²	110.3	62%	0.617	56%	0.56	S	S	*	*			trans	-79.6	119.4	-175.3	-65.3	-175.8	-171.6	0	0	110.5	V552 I556	V552-E554 HydrophobicContact CG1-CB 4.41Å; E554-I556 PolarHBondContact O-N 3.01Å
555	V	46.1	Very low	47	Very low	51 Å²	51	111.9 Å²	111.9	31%	0.309	56%	0.557	S	S	.	*			trans	-92.3	91.4	178.1	-171.4	0	0	0	0	108.9	R553 V557 W791	R553-V555 PolarHBondContact O-N 2.7Å; V555-V557 HydrophobicContact CG1-CG2 3.82Å; V555-V557 PolarHBondContact O-N 2.77Å; V555-V557 VanDerWaalsContact O-N 3.08Å; V555-W791 HydrophobicContact CG2-CH2 4.43Å; V555-W791 HydrophobicContact CG2-CZ3 4.31Å
556	I	41.3	Very low	48.4	Very low	130 Å²	130	109.5 Å²	109.5	67%	0.667	55%	0.546	S	S	*	.			trans	-74.5	95.9	174.6	-55.7	178.2	0	0	0	108.8	E554 E558	E554-I556 PolarHBondContact O-N 3.01Å; I556-E558 PolarHBondContact O-N 3.1Å
557	V	44.7	Very low	50	Low	91 Å²	91	100.5 Å²	100.5	55%	0.552	50%	0.504	S	S	*	.			trans	-87.5	100.7	176.4	-175.4	0	0	0	0	109.9	V555 Q559	V555-V557 HydrophobicContact CG1-CG2 3.82Å; V555-V557 PolarHBondContact O-N 2.77Å; V555-V557 VanDerWaalsContact O-N 3.08Å; V557-Q559 HydrophobicContact CG1-CG 4.13Å; V557-Q559 PolarHBondContact O-N 3.39Å
558	E	42.6	Very low	51	Low	170 Å²	170	103.2 Å²	103.2	79%	0.794	52%	0.518	S	S	*	.			trans	-68.6	97.8	166.6	-72.4	-144.2	135.2	0	0	110.6	I556 K560	I556-E558 PolarHBondContact O-N 3.1Å; E558-K560 PolarHBondContact O-N 2.83Å
559	Q	39.7	Very low	52	Low	182 Å²	182	103.9 Å²	103.9	85%	0.85	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	64.8	-179.7	-64.8	-171.6	-4.8	0	0	113	V557	V557-Q559 HydrophobicContact CG1-CG 4.13Å; V557-Q559 PolarHBondContact O-N 3.39Å
560	K	45.2	Very low	52.8	Low	187 Å²	187	102.3 Å²	102.3	81%	0.813	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	-15.1	177.3	-76.3	-170.8	177.3	172.3	0	117.5	E558	E558-K560 PolarHBondContact O-N 2.83Å
561	N	39.9	Very low	54.2	Low	140 Å²	140	101.1 Å²	101.1	75%	0.749	50%	0.502	S	S	*	.			trans	-129.4	117.8	176.5	-81.3	-40.3	0	0	0	111.9	K563	N561-K563 PolarHBondContact O-N 3Å
562	E	43.2	Very low	55.9	Low	124 Å²	124	102.2 Å²	102.2	58%	0.579	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-11	-176	-61.5	-174.9	174.4	0	0	114.3	Q564 Y1094	E562-Q564 PolarHBondContact O-N 3.18Å; E562-Y1094 VanDerWaalsContact CD-CE1 3.42Å; E562-Y1094 WeakPolarHBondContact OE1-CE1 3.45Å; E562-Y1094 PolarHBondContact OE1-OH 3.49Å; E562-Y1094 VanDerWaalsContact OE2-CD1 3.31Å; E562-Y1094 WeakPolarHBondContact OE2-CD1 3.44Å; E562-Y1094 WeakPolarHBondContact OE2-CE1 3.38Å
563	K	44.1	Very low	57.8	Low	165 Å²	165	99 Å²	99	72%	0.717	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	5.2	178	-67	-168.5	176.6	-174.5	0	114.7	N561 L685	N561-K563 PolarHBondContact O-N 3Å; K563-L685 WeakPolarHBondContact O-CD1 3.41Å
564	Q	49.7	Very low	59.2	Low	145 Å²	145	97.7 Å²	97.7	68%	0.678	48%	0.484	S	S	*	.			trans	-139.7	86.7	173.4	-69.9	-176	-9.6	0	0	110.8	E562 S566	E562-Q564 PolarHBondContact O-N 3.18Å; Q564-S566 PolarHBondContact O-N 3.27Å
565	R	63.1	Low	60.9	Low	163 Å²	163	91.5 Å²	91.5	62%	0.615	46%	0.455	S	S	*	.			trans	-86.1	89.6	165.2	-166.5	-176.8	-69.5	-144.6	-2.9	108.8	R684 L685	R565-R684 HydrophobicContact CG-CB 4.41Å; R565-R684 VanDerWaalsContact O-CB 3.23Å; R565-R684 WeakPolarHBondContact O-CB 3.41Å; R565-R684 PolarHBondContact O-N 2.66Å; R565-L685 HydrophobicContact CB-CD1 4.22Å; R565-L685 HydrophobicContact CB-CD2 3.53Å; R565-L685 HydrophobicContact CB-CG 3.65Å; R565-L685 VanDerWaalsContact N-CD1 3.3Å
566	S	71.5	Confident	62.2	Low	23 Å²	23	89.2 Å²	89.2	16%	0.161	44%	0.44	C	S	.	.			trans	-56.9	158.7	173.2	-64	0	0	0	0	113.2	Q564 R684 N793 G794	Q564-S566 PolarHBondContact O-N 3.27Å; S566-R684 WeakPolarHBondContact O-CD 3.29Å; S566-R684 WeakPolarHBondContact O-CG 3.49Å; S566-N793 PolarHBondContact OG-O 2.8Å; S566-G794 WeakPolarHBondContact CB-O 3.38Å
567	Y	75.4	Confident	63.5	Low	1 Å²	1	84.8 Å²	84.8	0%	0.004	42%	0.418	C	S	.	.			trans	-66.3	147.8	167.3	-69.4	-80.7	0	0	0	111.2	D571 L573 L574 Y617 R681 M682 R684 G794 I796	Y567-D571 HydrophobicContact CD1-CB 3.93Å; Y567-L573 HydrophobicContact CD1-CD2 4.47Å; Y567-L573 HydrophobicContact CE1-CD2 4.19Å; Y567-L574 HydrophobicContact CE1-CG 4.44Å; Y567-L574 PolarHBondContact OH-N 2.82Å; Y567-L574 VanDerWaalsContact OH-N 3.11Å; Y567-Y617 VanDerWaalsContact CB-CD1 3.41Å; Y567-Y617 VanDerWaalsContact CB-CG 3.46Å; Y567-Y617 HydrophobicContact CD2-CD2 4.42Å; Y567-Y617 HydrophobicContact CG-CD2 4.21Å; Y567-Y617 HydrophobicContact CG-CG 4.12Å; Y567-R681 WeakPolarHBondContact CE2-O 3.42Å; Y567-R681 PolarHBondContact OH-O 2.8Å; Y567-M682 WeakPolarHBondContact CE2-O 3.42Å; Y567-R684 HydrophobicContact CD1-CG 3.77Å; Y567-R684 HydrophobicContact CE1-CG 4.23Å; Y567-R684 HydrophobicContact CG-CG 4.09Å; Y567-G794 PolarHBondContact N-O 2.97Å; Y567-I796 HydrophobicContact CD2-CD1 4.39Å; Y567-I796 HydrophobicContact CD2-CG1 4.38Å; Y567-I796 HydrophobicContact CE2-CD1 4.01Å; Y567-I796 HydrophobicContact CE2-CG1 4.3Å
568	I	72	Confident	64.1	Low	105 Å²	105	83 Å²	83	54%	0.538	40%	0.403	S	S	.	.			trans	-116.4	149.6	174.5	-53.4	175.1	0	0	0	107	G570 D571	I568-G570 PolarHBondContact O-N 2.83Å; I568-D571 WeakPolarHBondContact CA-OD2 3.11Å; I568-D571 WeakPolarHBondContact CB-OD2 3.08Å; I568-D571 PolarHBondContact N-OD2 3.38Å; I568-D571 WeakPolarHBondContact O-CB 3.36Å; I568-D571 PolarHBondContact O-N 3Å
569	N	69.7	Low	64.4	Low	113 Å²	113	76.4 Å²	76.4	60%	0.604	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	127	178.3	-176.1	20.7	0	0	0	111.5	Y617 L618	N569-Y617 PolarHBondContact OD1-O 3.47Å; N569-L618 HydrophobicContact CB-CD1 4.37Å
570	G	71.9	Confident	64.7	Low	33 Å²	33	69.5 Å²	69.5	34%	0.34	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-2.6	-176.3	0	0	0	0	0	115.9	I568 Y617	I568-G570 PolarHBondContact O-N 2.83Å; G570-Y617 PolarHBondContact N-O 3.01Å
571	D	79	Confident	64.4	Low	22 Å²	22	63.7 Å²	63.7	12%	0.118	32%	0.323	C	S	.	.			trans	-70.7	133.8	172.5	-77.8	-42.3	0	0	0	111.4	Y567 I568 L573 E616 Y617 R684	Y567-D571 HydrophobicContact CD1-CB 3.93Å; I568-D571 WeakPolarHBondContact CA-OD2 3.11Å; I568-D571 WeakPolarHBondContact CB-OD2 3.08Å; I568-D571 PolarHBondContact N-OD2 3.38Å; I568-D571 WeakPolarHBondContact O-CB 3.36Å; I568-D571 PolarHBondContact O-N 3Å; D571-L573 PolarHBondContact O-N 2.93Å; D571-E616 CarbonylContact O-C 3.58Å; D571-E616 WeakPolarHBondContact O-CA 3.38Å; D571-Y617 WeakPolarHBondContact O-CB 3.34Å; D571-Y617 PolarHBondContact O-N 3.05Å; D571-R684 IonicContact OD1-CZ 2.63Å; D571-R684 IonicContact OD1-NE 3.28Å; D571-R684 IonicContact OD1-NH1 2.72Å; D571-R684 PolarHBondContact OD1-NH1 2.83Å; D571-R684 IonicContact OD1-NH2 2.86Å; D571-R684 PolarHBondContact OD1-NH2 2.96Å; D571-R684 VanDerWaalsContact OD2-CD 3.32Å; D571-R684 WeakPolarHBondContact OD2-CD 3.3Å; D571-R684 IonicContact OD2-CZ 3.15Å; D571-R684 IonicContact OD2-NE 3.23Å; D571-R684 PolarHBondContact OD2-NE 2.81Å; D571-R684 IonicContact OD2-NH1 2.83Å; D571-R684 PolarHBondContact OD2-NH1 2.86Å; D571-R684 IonicContact OD2-NH2 2.7Å
572	P	84.6	Confident	64.1	Low	45 Å²	45	60.4 Å²	60.4	29%	0.292	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-66.5	135.4	175.1	29.1	-35.5	0	0	0	110.9	L574 Y598 P614 V615	P572-L574 PolarHBondContact O-N 3Å; P572-Y598 HydrophobicContact CB-CG 4.37Å; P572-P614 HydrophobicContact CB-CB 3.77Å; P572-V615 WeakPolarHBondContact CA-O 3.26Å
573	L	87.6	Confident	63.5	Low	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.			trans	-66.2	115.9	178.7	-59.5	-163	0	0	0	109.8	Y567 D571 Y598 F599 V615 Y617 L680 F789 I796 F825	Y567-L573 HydrophobicContact CD1-CD2 4.47Å; Y567-L573 HydrophobicContact CE1-CD2 4.19Å; D571-L573 PolarHBondContact O-N 2.93Å; L573-Y598 CarbonylContact O-C 3.38Å; L573-Y598 WeakPolarHBondContact O-CA 3.28Å; L573-Y598 WeakPolarHBondContact O-CB 3.34Å; L573-F599 HydrophobicContact CB-CB 4.47Å; L573-F599 PolarHBondContact O-N 2.93Å; L573-V615 HydrophobicContact CD1-CB 4.35Å; L573-V615 HydrophobicContact CD1-CG1 3.75Å; L573-V615 HydrophobicContact CG-CB 4.35Å; L573-V615 HydrophobicContact CG-CG1 4.06Å; L573-V615 WeakPolarHBondContact CG-O 3.14Å; L573-V615 PolarHBondContact N-O 2.93Å; L573-Y617 HydrophobicContact CD2-CD2 4.18Å; L573-L680 HydrophobicContact CB-CD2 4.02Å; L573-L680 HydrophobicContact CD1-CD2 4.45Å; L573-F789 HydrophobicContact CD1-CD1 4.38Å; L573-F789 HydrophobicContact CD1-CD2 4.19Å; L573-F789 HydrophobicContact CD1-CE1 4.25Å; L573-F789 HydrophobicContact CD1-CE2 4.04Å; L573-F789 HydrophobicContact CD1-CG 4.36Å; L573-F789 HydrophobicContact CD1-CZ 4.07Å; L573-I796 HydrophobicContact CD1-CD1 3.8Å; L573-I796 HydrophobicContact CD2-CD1 3.58Å; L573-I796 HydrophobicContact CG-CD1 4.27Å; L573-F825 HydrophobicContact CD1-CE1 4.45Å; L573-F825 HydrophobicContact CD1-CZ 4.28Å
574	L	84.8	Confident	63.6	Low	30 Å²	30	49.1 Å²	49.1	16%	0.157	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-80.4	151.8	-173.7	-62.3	-178.5	0	0	0	111.3	Y567 P572 R681	Y567-L574 HydrophobicContact CE1-CG 4.44Å; Y567-L574 PolarHBondContact OH-N 2.82Å; Y567-L574 VanDerWaalsContact OH-N 3.11Å; P572-L574 PolarHBondContact O-N 3Å; L574-R681 HydrophobicContact CB-CB 4.3Å; L574-R681 HydrophobicContact CB-CG 4.01Å; L574-R681 PolarHBondContact O-N 2.89Å
575	L	82.9	Confident	63.5	Low	2 Å²	2	46.6 Å²	46.6	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	158.9	173.5	-67.8	168.5	0	0	0	111.9	E597 F599 F678 R679 L680 R681	L575-E597 PolarHBondContact N-O 2.89Å; L575-F599 HydrophobicContact CD1-CB 4.27Å; L575-F599 HydrophobicContact CD2-CB 4.18Å; L575-F599 HydrophobicContact CG-CB 4.19Å; L575-F678 HydrophobicContact CD1-CB 4.48Å; L575-F678 HydrophobicContact CD1-CD1 4.47Å; L575-F678 HydrophobicContact CD2-CB 4.44Å; L575-R679 CarbonylContact C-O 3.55Å; L575-R679 WeakPolarHBondContact CA-O 3.48Å; L575-R679 WeakPolarHBondContact CD2-O 3.18Å; L575-L680 HydrophobicContact CD2-CD2 3.9Å; L575-L680 HydrophobicContact CD2-CG 4.19Å; L575-R681 PolarHBondContact O-NE 2.81Å; L575-R681 PolarHBondContact O-NH2 2.91Å
576	M	73.3	Confident	62	Low	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.3	162.5	57.7	174.5	72.8	0	0	108.4	I590 F678 R679 R681 T689 P690	M576-I590 HydrophobicContact CB-CG2 4.31Å; M576-I590 HydrophobicContact SD-CD1 3.8Å; M576-I590 HydrophobicContact SD-CG2 4.44Å; M576-F678 WeakPolarHBondContact O-CA 3.14Å; M576-R679 HydrophobicContact CG-CB 4.24Å; M576-R679 WeakPolarHBondContact CG-O 3.16Å; M576-R679 PolarHBondContact N-O 2.89Å; M576-R679 PolarHBondContact O-N 3.04Å; M576-R681 HydrophobicContact CB-CG 4.45Å; M576-R681 HydrophobicContact CE-CB 4.39Å; M576-R681 HydrophobicContact CE-CG 3.84Å; M576-T689 WeakPolarHBondContact CE-O 3.48Å; M576-P690 HydrophobicContact SD-CB 3.95Å; M576-P690 HydrophobicContact SD-CG 4.46Å
577	I	67.8	Low	60.1	Low	38 Å²	38	46.8 Å²	46.8	20%	0.195	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.4	162.1	-64.4	169.6	0	0	0	105.3	P579 I590 P676 F678	I577-P579 WeakPolarHBondContact O-CD 3.45Å; I577-I590 VanDerWaalsContact O-CG2 3.24Å; I577-I590 WeakPolarHBondContact O-CG2 3.26Å; I577-P676 HydrophobicContact CG2-CB 3.76Å; I577-F678 HydrophobicContact CD1-CD1 4.5Å; I577-F678 HydrophobicContact CD1-CE1 3.68Å; I577-F678 HydrophobicContact CD1-CZ 4.02Å; I577-F678 HydrophobicContact CG1-CD1 3.62Å; I577-F678 HydrophobicContact CG1-CE1 3.27Å; I577-F678 HydrophobicContact CG1-CZ 3.94Å
578	Q	58.3	Low	58.4	Low	52 Å²	52	49.9 Å²	49.9	24%	0.243	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.6	163.8	-172.5	172.1	-1.1	0	0	107	V580 I677 R679	Q578-V580 PolarHBondContact O-N 3.17Å; Q578-I677 PolarHBondContact N-O 2.9Å; Q578-R679 VanDerWaalsContact OE1-CD 3.29Å
579	P	48.4	Very low	56.6	Low	33 Å²	33	51.2 Å²	51.2	21%	0.214	30%	0.295	C	S	.	.			trans	-64.2	124.3	169.2	28.8	-33.5	0	0	0	107.3	I577 I581 L591	I577-P579 WeakPolarHBondContact O-CD 3.45Å; P579-I581 HydrophobicContact CB-CD1 4.4Å; P579-I581 HydrophobicContact CB-CG1 4.14Å; P579-I581 HydrophobicContact CG-CD1 3.95Å; P579-I581 HydrophobicContact CG-CG1 4.18Å; P579-I581 PolarHBondContact O-N 2.96Å; P579-L591 HydrophobicContact CG-CB 4.37Å
580	V	46.5	Very low	55.1	Low	36 Å²	36	46.6 Å²	46.6	22%	0.218	27%	0.271	C	S	.	.			trans	-78	75.4	177.2	-168.8	0	0	0	0	109.6	Q578 L582 Y673	Q578-V580 PolarHBondContact O-N 3.17Å; V580-L582 HydrophobicContact CG1-CD2 3.87Å; V580-L582 HydrophobicContact CG1-CG 4.21Å; V580-L582 PolarHBondContact O-N 2.75Å; V580-Y673 WeakPolarHBondContact CB-O 3.45Å; V580-Y673 VanDerWaalsContact CG1-O 3.28Å; V580-Y673 WeakPolarHBondContact CG1-O 3.25Å; V580-Y673 WeakPolarHBondContact CG2-O 3.21Å
581	I	39.8	Very low	53.5	Low	66 Å²	66	51.2 Å²	51.2	34%	0.338	29%	0.287	S	S	.	.			trans	-66.9	94.7	167.9	-65.5	174.2	0	0	0	106.1	V268 P579 T583	V268-I581 HydrophobicContact CG2-CG2 4.36Å; P579-I581 HydrophobicContact CB-CD1 4.4Å; P579-I581 HydrophobicContact CB-CG1 4.14Å; P579-I581 HydrophobicContact CG-CD1 3.95Å; P579-I581 HydrophobicContact CG-CG1 4.18Å; P579-I581 PolarHBondContact O-N 2.96Å; I581-T583 HydrophobicContact CB-CG2 4.4Å; I581-T583 HydrophobicContact CG2-CG2 3.37Å; I581-T583 WeakPolarHBondContact CG2-OG1 3.45Å; I581-T583 PolarHBondContact O-N 2.89Å
582	L	33.4	Very low	51.6	Low	71 Å²	71	52.3 Å²	52.3	37%	0.372	29%	0.294	S	S	.	.			trans	-70.7	57.6	178.8	-70.5	174.1	0	0	0	112.4	V580	V580-L582 HydrophobicContact CG1-CD2 3.87Å; V580-L582 HydrophobicContact CG1-CG 4.21Å; V580-L582 PolarHBondContact O-N 2.75Å
583	T	30.6	Very low	49.6	Very low	41 Å²	41	51 Å²	51	25%	0.252	29%	0.286	S	S	.	.			trans	-145.6	172.2	-160.5	96.4	0	0	0	0	117.1	V268 N269 L270 I581	V268-T583 HydrophobicContact CG2-CG2 4Å; N269-T583 WeakPolarHBondContact O-CB 3.42Å; N269-T583 WeakPolarHBondContact O-CG2 3.06Å; N269-T583 PolarHBondContact O-OG1 2.67Å; L270-T583 HydrophobicContact CB-CG2 4.34Å; L270-T583 HydrophobicContact CD2-CG2 3.34Å; L270-T583 HydrophobicContact CG-CG2 4.34Å; I581-T583 HydrophobicContact CB-CG2 4.4Å; I581-T583 HydrophobicContact CG2-CG2 3.37Å; I581-T583 WeakPolarHBondContact CG2-OG1 3.45Å; I581-T583 PolarHBondContact O-N 2.89Å
584	S	45.3	Very low	47.2	Very low	11 Å²	11	59.2 Å²	59.2	8%	0.077	32%	0.324	C	S	.	.			trans	-122.1	157.5	-167.1	70.7	0	0	0	0	112.8	Y271 L398 D586	Y271-S584 WeakPolarHBondContact CD1-OG 3.47Å; Y271-S584 WeakPolarHBondContact CD2-OG 3.47Å; Y271-S584 WeakPolarHBondContact CE1-OG 3.29Å; Y271-S584 WeakPolarHBondContact CE2-O 3.31Å; Y271-S584 WeakPolarHBondContact CE2-OG 3.49Å; Y271-S584 VanDerWaalsContact CG-N 3.31Å; Y271-S584 WeakPolarHBondContact OH-CB 3.43Å; Y271-S584 PolarHBondContact OH-OG 2.9Å; L398-S584 VanDerWaalsContact CD2-OG 3.29Å; L398-S584 WeakPolarHBondContact CD2-OG 3.48Å; S584-D586 VanDerWaalsContact C-N 3.3Å; S584-D586 PolarHBondContact O-N 2.93Å
585	S	47.5	Very low	45.3	Very low	92 Å²	92	65.4 Å²	65.4	64%	0.643	35%	0.347	S	S	*	.	S	Bend	trans	60.4	-40.9	175.9	58.5	0	0	0	0	120.6	Y271	Y271-S585 WeakPolarHBondContact CE2-OG 3.49Å; Y271-S585 WeakPolarHBondContact OH-CB 3.17Å
586	D	31.9	Very low	43.8	Very low	94 Å²	94	71.8 Å²	71.8	50%	0.503	38%	0.381	S	S	.	.	S	Bend	trans	-91	133.2	-178.4	-62.3	-65.1	0	0	0	110.7	N269 S584	N269-D586 PolarHBondContact ND2-OD2 3.32Å; S584-D586 VanDerWaalsContact C-N 3.3Å; S584-D586 PolarHBondContact O-N 2.93Å
587	D	32.2	Very low	43.9	Very low	95 Å²	95	73.1 Å²	73.1	51%	0.508	39%	0.387	S	S	.	.			trans	-59.1	130.4	-175.5	-87.8	-47.1	0	0	0	110.4	K487 I589	K487-D587 IonicContact NZ-OD1 3.76Å; K487-D587 PolarHBondContact NZ-OD1 3.26Å; D587-I589 PolarHBondContact O-N 3.47Å
588	P	38.6	Very low	44.7	Very low	66 Å²	66	76 Å²	76	43%	0.429	40%	0.396	S	S	.	.			trans	-67	105.7	-176.8	27.3	-33.7	0	0	0	108.6	I590	P588-I590 VanDerWaalsContact C-N 3.28Å; P588-I590 PolarHBondContact O-N 2.78Å
589	I	34.5	Very low	46.2	Very low	133 Å²	133	73.5 Å²	73.5	68%	0.682	39%	0.385	S	S	*	.			trans	-61.8	98.7	165.1	-57	175.3	0	0	0	105.7	D587 L591	D587-I589 PolarHBondContact O-N 3.47Å; I589-L591 PolarHBondContact O-N 3.38Å
590	I	38.6	Very low	48.2	Very low	16 Å²	16	72 Å²	72	8%	0.082	38%	0.375	C	S	.	.			trans	-61	117.1	168.2	-60.6	-156.1	0	0	0	105.1	M576 I577 P588 V592 D688	M576-I590 HydrophobicContact CB-CG2 4.31Å; M576-I590 HydrophobicContact SD-CD1 3.8Å; M576-I590 HydrophobicContact SD-CG2 4.44Å; I577-I590 VanDerWaalsContact O-CG2 3.24Å; I577-I590 WeakPolarHBondContact O-CG2 3.26Å; P588-I590 VanDerWaalsContact C-N 3.28Å; P588-I590 PolarHBondContact O-N 2.78Å; I590-V592 HydrophobicContact CB-CG2 4.4Å; I590-V592 HydrophobicContact CG2-CG2 3.95Å; I590-V592 PolarHBondContact O-N 2.74Å; I590-D688 HydrophobicContact CB-CB 4.25Å; I590-D688 WeakPolarHBondContact CB-OD1 3.47Å; I590-D688 HydrophobicContact CD1-CB 3.66Å; I590-D688 HydrophobicContact CG1-CB 3.89Å
591	L	39.1	Very low	50.4	Low	130 Å²	130	70.3 Å²	70.3	68%	0.681	37%	0.365	S	S	*	.			trans	-77.6	70.1	176.6	-160.7	79.1	0	0	0	108	P579 I589 S593	P579-L591 HydrophobicContact CG-CB 4.37Å; I589-L591 PolarHBondContact O-N 3.38Å; L591-S593 PolarHBondContact O-N 2.56Å
592	V	38.1	Very low	52.6	Low	45 Å²	45	67.1 Å²	67.1	27%	0.273	35%	0.348	S	S	.	.			trans	-48.5	116.4	178.1	175.1	0	0	0	0	107.7	I590 Q594 D688	I590-V592 HydrophobicContact CB-CG2 4.4Å; I590-V592 HydrophobicContact CG2-CG2 3.95Å; I590-V592 PolarHBondContact O-N 2.74Å; V592-Q594 PolarHBondContact O-N 2.91Å; V592-Q594 VanDerWaalsContact O-N 3.08Å; V592-D688 VanDerWaalsContact CG2-OD1 3.24Å; V592-D688 WeakPolarHBondContact CG2-OD1 3.07Å
593	S	42.2	Very low	54.9	Low	17 Å²	17	65 Å²	65	12%	0.119	34%	0.337	C	S	.	.			trans	-51.6	123.2	178.5	-173.1	0	0	0	0	108.6	L591 Y595 E597	L591-S593 PolarHBondContact O-N 2.56Å; S593-Y595 PolarHBondContact O-N 2.98Å; S593-Y595 VanDerWaalsContact O-O 3.09Å; S593-Y595 WeakPolarHBondContact OG-CD2 3.2Å; S593-Y595 PolarHBondContact OG-N 3.39Å; S593-Y595 PolarHBondContact OG-O 3.19Å; S593-E597 WeakPolarHBondContact CB-OE1 3.26Å; S593-E597 PolarHBondContact OG-OE1 3.32Å
594	Q	38	Very low	57	Low	173 Å²	173	66.4 Å²	66.4	81%	0.808	34%	0.341	S	S	*	.	S	Bend	trans	-68.8	-9.4	174.6	62.9	-174.7	-43.8	0	0	111.8	V592	V592-Q594 PolarHBondContact O-N 2.91Å; V592-Q594 VanDerWaalsContact O-N 3.08Å
595	Y	44.3	Very low	58.1	Low	160 Å²	160	70.8 Å²	70.8	63%	0.627	36%	0.361	S	S	*	.	S	Bend	trans	-85.2	129.6	164.5	-50.2	-69.1	0	0	0	108.5	S593 E597	S593-Y595 PolarHBondContact O-N 2.98Å; S593-Y595 VanDerWaalsContact O-O 3.09Å; S593-Y595 WeakPolarHBondContact OG-CD2 3.2Å; S593-Y595 PolarHBondContact OG-N 3.39Å; S593-Y595 PolarHBondContact OG-O 3.19Å; Y595-E597 PolarHBondContact O-N 2.99Å
596	N	51.1	Low	59.2	Low	136 Å²	136	69.8 Å²	69.8	73%	0.727	35%	0.349	S	S	*	.			trans	-71.1	77.4	175.2	-72.9	-18.1	0	0	0	109.7	Y598	N596-Y598 VanDerWaalsContact O-CD1 3.29Å; N596-Y598 WeakPolarHBondContact O-CD1 3.43Å
597	E	75.5	Confident	61.1	Low	30 Å²	30	65.4 Å²	65.4	14%	0.14	33%	0.326	C	S	.	.			trans	-85	136.2	-178.8	-69.3	171.8	-133.7	0	0	111	L575 S593 Y595 W649 F678	L575-E597 PolarHBondContact N-O 2.89Å; S593-E597 WeakPolarHBondContact CB-OE1 3.26Å; S593-E597 PolarHBondContact OG-OE1 3.32Å; Y595-E597 PolarHBondContact O-N 2.99Å; E597-W649 HydrophobicContact CG-CZ2 4.33Å; E597-W649 WeakPolarHBondContact OE2-CZ2 3.11Å; E597-W649 PolarHBondContact OE2-NE1 3.45Å; E597-F678 WeakPolarHBondContact OE2-CE1 3.35Å
598	Y	85.1	Confident	62.8	Low	98 Å²	98	65.3 Å²	65.3	38%	0.384	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-126	146.9	-176	43.9	-90.5	0	0	0	109.3	P572 L573 N596 V600 P614 R652	P572-Y598 HydrophobicContact CB-CG 4.37Å; L573-Y598 CarbonylContact O-C 3.38Å; L573-Y598 WeakPolarHBondContact O-CA 3.28Å; L573-Y598 WeakPolarHBondContact O-CB 3.34Å; N596-Y598 VanDerWaalsContact O-CD1 3.29Å; N596-Y598 WeakPolarHBondContact O-CD1 3.43Å; Y598-V600 HydrophobicContact CD2-CG1 3.48Å; Y598-V600 VanDerWaalsContact CD2-CG1 3.48Å; Y598-V600 HydrophobicContact CE2-CG1 3.55Å; Y598-P614 HydrophobicContact CD2-CB 3.79Å; Y598-P614 HydrophobicContact CE2-CB 4.29Å; Y598-P614 HydrophobicContact CG-CB 4.44Å; Y598-R652 PolarHBondContact O-NH2 3.14Å
599	F	90.5	Very high	64	Low	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.338	C	S	.	.			trans	-67.5	135	176.2	-176.4	-113.4	0	0	0	110.1	L573 L575 L601 P614 V615 L664 L680 Y787 F789	L573-F599 HydrophobicContact CB-CB 4.47Å; L573-F599 PolarHBondContact O-N 2.93Å; L575-F599 HydrophobicContact CD1-CB 4.27Å; L575-F599 HydrophobicContact CD2-CB 4.18Å; L575-F599 HydrophobicContact CG-CB 4.19Å; F599-L601 HydrophobicContact CE1-CD2 4.33Å; F599-L601 HydrophobicContact CZ-CD2 4.25Å; F599-P614 WeakPolarHBondContact O-CA 3.15Å; F599-V615 HydrophobicContact CD1-CB 3.95Å; F599-V615 HydrophobicContact CD1-CG2 3.55Å; F599-V615 HydrophobicContact CE1-CG2 3.83Å; F599-V615 PolarHBondContact O-N 2.95Å; F599-L664 HydrophobicContact CD2-CD2 3.89Å; F599-L664 HydrophobicContact CE2-CD2 3.53Å; F599-L664 HydrophobicContact CE2-CG 3.87Å; F599-L664 HydrophobicContact CZ-CD1 4.42Å; F599-L664 HydrophobicContact CZ-CD2 4.01Å; F599-L664 HydrophobicContact CZ-CG 3.86Å; F599-L680 HydrophobicContact CB-CD2 3.64Å; F599-L680 HydrophobicContact CD1-CD2 4.42Å; F599-L680 HydrophobicContact CG-CD2 4Å; F599-Y787 HydrophobicContact CE1-CE1 4.4Å; F599-Y787 HydrophobicContact CE1-CE2 4.25Å; F599-Y787 HydrophobicContact CZ-CE1 4.04Å; F599-Y787 HydrophobicContact CZ-CE2 4.02Å; F599-Y787 AromaticContact CZ-CZ 3.61Å; F599-F789 HydrophobicContact CE1-CZ 4.33Å
600	V	90.4	Very high	65.6	Low	1 Å²	1	66.9 Å²	66.9	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.5	-174.6	-64.4	0	0	0	0	113.3	Y598 N612 I613 G650 R652	Y598-V600 HydrophobicContact CD2-CG1 3.48Å; Y598-V600 VanDerWaalsContact CD2-CG1 3.48Å; Y598-V600 HydrophobicContact CE2-CG1 3.55Å; V600-N612 HydrophobicContact CB-CB 4.1Å; V600-N612 HydrophobicContact CG2-CB 4.18Å; V600-I613 WeakPolarHBondContact CA-O 3.21Å; V600-I613 VanDerWaalsContact CB-O 3.25Å; V600-I613 WeakPolarHBondContact CB-O 3.4Å; V600-I613 WeakPolarHBondContact CG1-O 3.37Å; V600-G650 WeakPolarHBondContact O-CA 3.25Å; V600-R652 VanDerWaalsContact CG1-NH1 3.25Å
601	L	91.3	Very high	67.3	Low	1 Å²	1	67.9 Å²	67.9	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165.3	165.4	-61.1	175	0	0	0	109.6	F599 N612 I613 V615 Y624 Y787 V823	F599-L601 HydrophobicContact CE1-CD2 4.33Å; F599-L601 HydrophobicContact CZ-CD2 4.25Å; L601-N612 CarbonylContact O-C 3.55Å; L601-N612 VanDerWaalsContact O-CA 3.28Å; L601-N612 WeakPolarHBondContact O-CA 3.43Å; L601-N612 WeakPolarHBondContact O-CB 3.49Å; L601-I613 PolarHBondContact N-O 3.17Å; L601-I613 VanDerWaalsContact N-O 3.07Å; L601-I613 VanDerWaalsContact O-CG1 3.23Å; L601-I613 WeakPolarHBondContact O-CG1 3.3Å; L601-I613 PolarHBondContact O-N 2.89Å; L601-V615 HydrophobicContact CD1-CG2 3.84Å; L601-V615 HydrophobicContact CG-CG2 3.82Å; L601-Y624 VanDerWaalsContact CB-OH 3.29Å; L601-Y624 WeakPolarHBondContact CB-OH 3.43Å; L601-Y787 HydrophobicContact CD1-CD2 4.18Å; L601-Y787 HydrophobicContact CD1-CE2 4.36Å; L601-Y787 HydrophobicContact CD2-CD2 4.33Å; L601-Y787 HydrophobicContact CD2-CE2 3.69Å; L601-V823 HydrophobicContact CD1-CG2 3.48Å; L601-V823 VanDerWaalsContact CD1-CG2 3.48Å
602	P	87.4	Confident	69.4	Low	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	143.8	174.6	-30.2	41.2	0	0	0	113.1	E604 Y624 C626 P651 R657 Y821	P602-E604 PolarHBondContact O-N 2.85Å; P602-Y624 WeakPolarHBondContact O-CE2 3.38Å; P602-Y624 PolarHBondContact O-OH 2.85Å; P602-C626 WeakPolarHBondContact CB-SG 3.3Å; P602-P651 HydrophobicContact CG-CG 4.37Å; P602-R657 HydrophobicContact CG-CG 4.04Å; P602-Y821 HydrophobicContact CB-CE2 4.23Å; P602-Y821 HydrophobicContact CG-CD2 4.34Å; P602-Y821 HydrophobicContact CG-CE1 4.45Å; P602-Y821 HydrophobicContact CG-CE2 3.7Å
603	N	82	Confident	71.5	Confident	25 Å²	25	62.5 Å²	62.5	13%	0.134	31%	0.306	C	S	.	.			trans	-72.3	115.1	179.8	-175	-19.3	0	0	0	111.2	M605 N606 C607 S611 I613	N603-M605 PolarHBondContact O-N 3.41Å; N603-M605 PolarHBondContact OD1-N 2.03Å; N603-N606 HydrophobicContact CB-CB 4.39Å; N603-N606 CarbonylContact O-C 3.46Å; N603-N606 PolarHBondContact O-N 3.48Å; N603-C607 WeakPolarHBondContact O-CA 3.29Å; N603-C607 PolarHBondContact O-N 3.02Å; N603-C607 PolarHBondContact O-SG 2.95Å; N603-C607 VanDerWaalsContact O-SG 3.34Å; N603-S611 WeakPolarHBondContact CB-O 3.23Å; N603-S611 WeakPolarHBondContact CB-OG 3.37Å; N603-S611 PolarHBondContact N-O 3.1Å; N603-S611 PolarHBondContact ND2-OG 2.79Å; N603-I613 HydrophobicContact CB-CG2 3.94Å
604	E	74.6	Confident	73.7	Confident	71 Å²	71	63.3 Å²	63.3	33%	0.332	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-26.2	-179.5	73.8	-152	158.2	0	0	114.7	P602 R621 Y624 M886	P602-E604 PolarHBondContact O-N 2.85Å; E604-R621 IonicContact OE1-CZ 2.65Å; E604-R621 IonicContact OE1-NH1 3.6Å; E604-R621 PolarHBondContact OE1-NH1 3.03Å; E604-R621 IonicContact OE2-CZ 3.8Å; E604-R621 IonicContact OE2-NH1 3.78Å; E604-R621 PolarHBondContact OE2-NH1 3.47Å; E604-Y624 HydrophobicContact CB-CD1 4.38Å; E604-Y624 HydrophobicContact CB-CD2 3.69Å; E604-Y624 HydrophobicContact CB-CE2 4.06Å; E604-Y624 HydrophobicContact CB-CG 3.87Å; E604-M886 WeakPolarHBondContact O-CE 3.34Å
605	M	68.1	Low	76.1	Confident	103 Å²	103	55.1 Å²	55.1	51%	0.507	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-24.5	177.2	-60	-172.4	75.6	0	0	113.8	N603	N603-M605 PolarHBondContact O-N 3.41Å; N603-M605 PolarHBondContact OD1-N 2.03Å
606	N	69.4	Low	78.1	Confident	71 Å²	71	50.3 Å²	50.3	38%	0.38	26%	0.256	S	S	.	.			trans	-139.7	39.9	-167.4	-77.5	-55.8	0	0	0	112.3	N603 D608 L609 S611	N603-N606 HydrophobicContact CB-CB 4.39Å; N603-N606 CarbonylContact O-C 3.46Å; N603-N606 PolarHBondContact O-N 3.48Å; N606-D608 PolarHBondContact O-N 3Å; N606-L609 PolarHBondContact O-N 2.74Å; N606-S611 WeakPolarHBondContact O-CB 3.47Å
607	C	72.1	Confident	79.7	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-46.8	-38.5	179.5	-70.6	0	0	0	0	113.1	N603 L609 C626 R657	N603-C607 WeakPolarHBondContact O-CA 3.29Å; N603-C607 PolarHBondContact O-N 3.02Å; N603-C607 PolarHBondContact O-SG 2.95Å; N603-C607 VanDerWaalsContact O-SG 3.34Å; C607-L609 PolarHBondContact O-N 3.12Å; C607-C626 HydrophobicContact CB-CB 3.5Å; C607-C626 WeakPolarHBondContact CB-SG 3.5Å; C607-C626 WeakPolarHBondContact SG-CA 3.47Å; C607-C626 WeakPolarHBondContact SG-CB 3.29Å; C607-C626 CovalentContact SG-SG 2.04Å; C607-C626 PolarHBondContact SG-SG 2.8Å; C607-R657 VanDerWaalsContact O-CZ 3.28Å; C607-R657 PolarHBondContact O-NH1 3.04Å; C607-R657 PolarHBondContact O-NH2 2.83Å
608	D	67.8	Low	79.8	Confident	93 Å²	93	44.2 Å²	44.2	50%	0.497	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-78.5	-18.3	-168	-51.8	-5.9	0	0	0	113.2	N606 P627	N606-D608 PolarHBondContact O-N 3Å; D608-P627 WeakPolarHBondContact OD1-CG 3.11Å
609	L	63.7	Low	79.6	Confident	133 Å²	133	41.3 Å²	41.3	70%	0.696	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-100.2	26.4	-171.1	-65.3	174.9	0	0	0	113.6	N606 C607 S611	N606-L609 PolarHBondContact O-N 2.74Å; C607-L609 PolarHBondContact O-N 3.12Å; L609-S611 PolarHBondContact O-N 2.05Å
610	E	69.1	Low	79.2	Confident	99 Å²	99	43.5 Å²	43.5	46%	0.463	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	22.6	-169	-53	-152.3	109.7	0	0	113.8	N612 T653 L654	E610-N612 PolarHBondContact O-ND2 3.09Å; E610-N612 VanDerWaalsContact O-ND2 3.08Å; E610-T653 VanDerWaalsContact OE1-CA 3.31Å; E610-T653 WeakPolarHBondContact OE1-CA 3.42Å; E610-T653 VanDerWaalsContact OE1-CB 3.29Å; E610-T653 WeakPolarHBondContact OE1-CB 3.21Å; E610-L654 HydrophobicContact CG-CD1 3.93Å; E610-L654 HydrophobicContact CG-CG 4.06Å; E610-L654 PolarHBondContact OE1-N 3.44Å
611	S	73.5	Confident	78.6	Confident	37 Å²	37	45.3 Å²	45.3	26%	0.259	25%	0.248	S	C	.	.			trans	-77.8	132.5	-179.9	-169.5	0	0	0	0	109.9	N603 N606 L609	N603-S611 WeakPolarHBondContact CB-O 3.23Å; N603-S611 WeakPolarHBondContact CB-OG 3.37Å; N603-S611 PolarHBondContact N-O 3.1Å; N603-S611 PolarHBondContact ND2-OG 2.79Å; N606-S611 WeakPolarHBondContact O-CB 3.47Å; L609-S611 PolarHBondContact O-N 2.05Å
612	N	82.6	Confident	77.9	Confident	41 Å²	41	48.8 Å²	48.8	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.1	176.6	-47.3	-70.6	0	0	0	109.5	V600 L601 E610 P651 R652	V600-N612 HydrophobicContact CB-CB 4.1Å; V600-N612 HydrophobicContact CG2-CB 4.18Å; L601-N612 CarbonylContact O-C 3.55Å; L601-N612 VanDerWaalsContact O-CA 3.28Å; L601-N612 WeakPolarHBondContact O-CA 3.43Å; L601-N612 WeakPolarHBondContact O-CB 3.49Å; E610-N612 PolarHBondContact O-ND2 3.09Å; E610-N612 VanDerWaalsContact O-ND2 3.08Å; N612-P651 PolarHBondContact OD1-O 2.91Å; N612-R652 PolarHBondContact ND2-O 3.23Å
613	I	83.2	Confident	77.4	Confident	22 Å²	22	51.9 Å²	51.9	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.8	-176.5	44.4	170.7	0	0	0	109.5	V600 L601 N603 R621	V600-I613 WeakPolarHBondContact CA-O 3.21Å; V600-I613 VanDerWaalsContact CB-O 3.25Å; V600-I613 WeakPolarHBondContact CB-O 3.4Å; V600-I613 WeakPolarHBondContact CG1-O 3.37Å; L601-I613 PolarHBondContact N-O 3.17Å; L601-I613 VanDerWaalsContact N-O 3.07Å; L601-I613 VanDerWaalsContact O-CG1 3.23Å; L601-I613 WeakPolarHBondContact O-CG1 3.3Å; L601-I613 PolarHBondContact O-N 2.89Å; N603-I613 HydrophobicContact CB-CG2 3.94Å; I613-R621 VanDerWaalsContact CD1-CZ 3.48Å
614	P	87.4	Confident	77.1	Confident	33 Å²	33	51.4 Å²	51.4	21%	0.214	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	143.5	166	27.9	-33.8	0	0	0	110	P572 Y598 F599 E616	P572-P614 HydrophobicContact CB-CB 3.77Å; Y598-P614 HydrophobicContact CD2-CB 3.79Å; Y598-P614 HydrophobicContact CE2-CB 4.29Å; Y598-P614 HydrophobicContact CG-CB 4.44Å; F599-P614 WeakPolarHBondContact O-CA 3.15Å; P614-E616 HydrophobicContact CB-CG 4.29Å; P614-E616 HydrophobicContact CG-CG 4.09Å
615	V	89.7	Confident	77.2	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	27%	0.272	C	S	.	.			trans	-75.9	124.7	155.7	-179.5	0	0	0	0	106.7	P572 L573 F599 L601 F789 V823 F825	P572-V615 WeakPolarHBondContact CA-O 3.26Å; L573-V615 HydrophobicContact CD1-CB 4.35Å; L573-V615 HydrophobicContact CD1-CG1 3.75Å; L573-V615 HydrophobicContact CG-CB 4.35Å; L573-V615 HydrophobicContact CG-CG1 4.06Å; L573-V615 WeakPolarHBondContact CG-O 3.14Å; L573-V615 PolarHBondContact N-O 2.93Å; F599-V615 HydrophobicContact CD1-CB 3.95Å; F599-V615 HydrophobicContact CD1-CG2 3.55Å; F599-V615 HydrophobicContact CE1-CG2 3.83Å; F599-V615 PolarHBondContact O-N 2.95Å; L601-V615 HydrophobicContact CD1-CG2 3.84Å; L601-V615 HydrophobicContact CG-CG2 3.82Å; V615-F789 HydrophobicContact CG1-CE2 3.88Å; V615-V823 HydrophobicContact CG1-CG1 4.02Å; V615-V823 HydrophobicContact CG1-CG2 4.46Å; V615-V823 HydrophobicContact CG2-CG2 4.44Å; V615-F825 HydrophobicContact CG1-CZ 4.4Å
616	E	85.4	Confident	77.7	Confident	58 Å²	58	44.8 Å²	44.8	27%	0.271	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-109.6	142.4	-176.5	-72	165.6	-175.7	0	0	110.3	D571 P614 L618 S619 F825	D571-E616 CarbonylContact O-C 3.58Å; D571-E616 WeakPolarHBondContact O-CA 3.38Å; P614-E616 HydrophobicContact CB-CG 4.29Å; P614-E616 HydrophobicContact CG-CG 4.09Å; E616-L618 PolarHBondContact O-N 2.77Å; E616-S619 VanDerWaalsContact O-CB 3.26Å; E616-S619 WeakPolarHBondContact O-CB 3.3Å; E616-S619 PolarHBondContact O-N 2.9Å; E616-F825 VanDerWaalsContact O-CE2 3.28Å; E616-F825 WeakPolarHBondContact O-CE2 3.41Å; E616-F825 WeakPolarHBondContact O-CZ 3.43Å
617	Y	83.9	Confident	78.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	128.2	-176.3	-175.3	-113.4	0	0	0	111.5	Y567 N569 G570 D571 L573 S619 W791 G794 I796 F825	Y567-Y617 VanDerWaalsContact CB-CD1 3.41Å; Y567-Y617 VanDerWaalsContact CB-CG 3.46Å; Y567-Y617 HydrophobicContact CD2-CD2 4.42Å; Y567-Y617 HydrophobicContact CG-CD2 4.21Å; Y567-Y617 HydrophobicContact CG-CG 4.12Å; N569-Y617 PolarHBondContact OD1-O 3.47Å; G570-Y617 PolarHBondContact N-O 3.01Å; D571-Y617 WeakPolarHBondContact O-CB 3.34Å; D571-Y617 PolarHBondContact O-N 3.05Å; L573-Y617 HydrophobicContact CD2-CD2 4.18Å; Y617-S619 PolarHBondContact O-N 3.22Å; Y617-S619 VanDerWaalsContact O-N 3.1Å; Y617-W791 HydrophobicContact CE2-CB 4.18Å; Y617-W791 HydrophobicContact CE2-CG 4.35Å; Y617-W791 VanDerWaalsContact OH-CD2 3.29Å; Y617-G794 WeakPolarHBondContact OH-CA 3.12Å; Y617-I796 HydrophobicContact CD2-CD1 4.26Å; Y617-I796 HydrophobicContact CD2-CG1 4.17Å; Y617-I796 HydrophobicContact CE2-CG1 3.96Å; Y617-F825 HydrophobicContact CD2-CD1 4.33Å; Y617-F825 AromaticContact CD2-CE1 3.86Å; Y617-F825 HydrophobicContact CD2-CE1 3.86Å; Y617-F825 HydrophobicContact CE2-CD1 4.48Å; Y617-F825 HydrophobicContact CE2-CE1 4.4Å
618	L	78.1	Confident	78.7	Confident	39 Å²	39	42.6 Å²	42.6	20%	0.204	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-4.1	-171.1	-49.6	-179.4	0	0	0	115.7	N569 E616 G620 W791 F825	N569-L618 HydrophobicContact CB-CD1 4.37Å; E616-L618 PolarHBondContact O-N 2.77Å; L618-G620 VanDerWaalsContact C-N 3.26Å; L618-G620 PolarHBondContact O-N 2.97Å; L618-W791 HydrophobicContact CD1-CH2 4.49Å; L618-W791 HydrophobicContact CD1-CZ2 4.38Å; L618-W791 HydrophobicContact CD2-CD2 3.93Å; L618-W791 HydrophobicContact CD2-CG 4.28Å; L618-W791 HydrophobicContact CD2-CH2 4.36Å; L618-W791 HydrophobicContact CD2-CZ2 3.65Å; L618-F825 HydrophobicContact CD2-CB 4.11Å; L618-F825 HydrophobicContact CD2-CD1 4.24Å; L618-F825 HydrophobicContact CD2-CG 4.23Å
619	S	81.1	Confident	79.3	Confident	36 Å²	36	40.8 Å²	40.8	25%	0.252	23%	0.229	S	C	.	.			trans	-79.9	71.1	174.3	-159.8	0	0	0	0	110.5	E616 Y617	E616-S619 VanDerWaalsContact O-CB 3.26Å; E616-S619 WeakPolarHBondContact O-CB 3.3Å; E616-S619 PolarHBondContact O-N 2.9Å; Y617-S619 PolarHBondContact O-N 3.22Å; Y617-S619 VanDerWaalsContact O-N 3.1Å
620	G	81.4	Confident	80.4	Confident	47 Å²	47	34.5 Å²	34.5	49%	0.485	20%	0.197	S	C	.	.			trans	-65.2	142.3	176.7	0	0	0	0	0	112.3	L618 V823	L618-G620 VanDerWaalsContact C-N 3.26Å; L618-G620 PolarHBondContact O-N 2.97Å; G620-V823 CarbonylContact C-O 3.52Å; G620-V823 WeakPolarHBondContact CA-O 3.41Å
621	R	78.5	Confident	81.3	Confident	39 Å²	39	29.9 Å²	29.9	15%	0.147	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.5	-179.4	-63.4	-178.5	177	-84.1	-2.7	110.4	E604 I613 Y624 V823	E604-R621 IonicContact OE1-CZ 2.65Å; E604-R621 IonicContact OE1-NH1 3.6Å; E604-R621 PolarHBondContact OE1-NH1 3.03Å; E604-R621 IonicContact OE2-CZ 3.8Å; E604-R621 IonicContact OE2-NH1 3.78Å; E604-R621 PolarHBondContact OE2-NH1 3.47Å; I613-R621 VanDerWaalsContact CD1-CZ 3.48Å; R621-Y624 HydrophobicContact CB-CD1 4.46Å; R621-Y624 HydrophobicContact CB-CE1 4.22Å; R621-V823 HydrophobicContact CB-CB 4.16Å; R621-V823 PolarHBondContact N-O 3.05Å; R621-V823 PolarHBondContact O-N 3.05Å; R621-V823 VanDerWaalsContact O-O 3.09Å
622	N	76	Confident	82.1	Confident	73 Å²	73	30.3 Å²	30.3	39%	0.39	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	161	166.6	-88.8	-4.2	0	0	0	110.5	Y624 D894 M902	N622-Y624 WeakPolarHBondContact O-CD1 3.42Å; N622-Y624 PolarHBondContact O-N 3.29Å; N622-D894 PolarHBondContact ND2-OD2 3.22Å; N622-M902 WeakPolarHBondContact ND2-CE 3.36Å
623	T	77.9	Confident	82.3	Confident	65 Å²	65	34.7 Å²	34.7	40%	0.399	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	111.3	178.2	-52.7	0	0	0	0	110.7	E820 Y821	T623-E820 HydrophobicContact CG2-CB 3.96Å; T623-E820 HydrophobicContact CG2-CG 3.86Å; T623-Y821 VanDerWaalsContact CA-O 3.3Å; T623-Y821 WeakPolarHBondContact CA-O 3.37Å
624	Y	75.3	Confident	82.6	Confident	16 Å²	16	35.6 Å²	35.6	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	165.4	171.1	64.4	-86.2	0	0	0	110.3	L601 P602 E604 R621 N622 E820 Y821	L601-Y624 VanDerWaalsContact CB-OH 3.29Å; L601-Y624 WeakPolarHBondContact CB-OH 3.43Å; P602-Y624 WeakPolarHBondContact O-CE2 3.38Å; P602-Y624 PolarHBondContact O-OH 2.85Å; E604-Y624 HydrophobicContact CB-CD1 4.38Å; E604-Y624 HydrophobicContact CB-CD2 3.69Å; E604-Y624 HydrophobicContact CB-CE2 4.06Å; E604-Y624 HydrophobicContact CB-CG 3.87Å; R621-Y624 HydrophobicContact CB-CD1 4.46Å; R621-Y624 HydrophobicContact CB-CE1 4.22Å; N622-Y624 WeakPolarHBondContact O-CD1 3.42Å; N622-Y624 PolarHBondContact O-N 3.29Å; Y624-E820 CarbonylContact O-C 3.57Å; Y624-E820 WeakPolarHBondContact O-CA 3.13Å; Y624-Y821 WeakPolarHBondContact CD1-O 3.31Å; Y624-Y821 HydrophobicContact CD2-CD2 4.35Å; Y624-Y821 AromaticContact CE2-CD2 3.8Å; Y624-Y821 HydrophobicContact CE2-CD2 3.8Å; Y624-Y821 HydrophobicContact CE2-CG 4.15Å; Y624-Y821 VanDerWaalsContact CZ-CB 3.45Å; Y624-Y821 PolarHBondContact N-O 3.34Å; Y624-Y821 PolarHBondContact O-N 2.75Å
625	R	75.9	Confident	82.9	Confident	34 Å²	34	34 Å²	34	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.1	-179.1	-76.3	173.6	173.5	-132.4	-2	110.7	N707 Y818 Q819 E820 M886	R625-N707 PolarHBondContact NH1-O 3.41Å; R625-N707 PolarHBondContact NH2-O 2.97Å; R625-Y818 HydrophobicContact CB-CD1 4.27Å; R625-Q819 CarbonylContact C-O 3.59Å; R625-Q819 VanDerWaalsContact CA-O 3.28Å; R625-Q819 WeakPolarHBondContact CA-O 3.38Å; R625-E820 HydrophobicContact CG-CG 3.47Å; R625-E820 VanDerWaalsContact CG-CG 3.47Å; R625-E820 IonicContact CZ-OE1 2.83Å; R625-E820 IonicContact NE-OE1 2.75Å; R625-E820 PolarHBondContact NE-OE1 2.97Å; R625-E820 IonicContact NH2-OE1 3.85Å; R625-E820 PolarHBondContact NH2-OE1 2.88Å; R625-M886 WeakPolarHBondContact O-CE 3.4Å
626	C	80.5	Confident	82.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.4	161.9	-72.1	0	0	0	0	109.9	P602 C607 Y818 Q819 Y821	P602-C626 WeakPolarHBondContact CB-SG 3.3Å; C607-C626 HydrophobicContact CB-CB 3.5Å; C607-C626 WeakPolarHBondContact CB-SG 3.5Å; C607-C626 WeakPolarHBondContact SG-CA 3.47Å; C607-C626 WeakPolarHBondContact SG-CB 3.29Å; C607-C626 CovalentContact SG-SG 2.04Å; C607-C626 PolarHBondContact SG-SG 2.8Å; C626-Y818 CarbonylContact O-C 3.53Å; C626-Y818 WeakPolarHBondContact O-CA 3.44Å; C626-Q819 PolarHBondContact N-O 3.14Å; C626-Q819 PolarHBondContact O-N 3.26Å; C626-Y821 HydrophobicContact CB-CE2 4.18Å
627	P	78.1	Confident	83.2	Confident	19 Å²	19	38.7 Å²	38.7	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	153.3	167.4	32	-34.9	0	0	0	110	D608 T816 Y817 Y818	D608-P627 WeakPolarHBondContact OD1-CG 3.11Å; P627-T816 HydrophobicContact CB-CG2 4.11Å; P627-Y817 CarbonylContact C-O 3.55Å; P627-Y817 WeakPolarHBondContact CA-O 3.09Å; P627-Y818 HydrophobicContact CB-CD1 4.18Å; P627-Y818 HydrophobicContact CB-CE1 3.79Å
628	I	82.9	Confident	83.5	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.8	164.8	-165	147.5	0	0	0	109.4	L630 L654 R657 L658 Y817 Q819	I628-L630 HydrophobicContact CG2-CD1 4.46Å; I628-L654 WeakPolarHBondContact CD1-O 3.42Å; I628-R657 HydrophobicContact CD1-CB 4.38Å; I628-L658 HydrophobicContact CD1-CD1 4.5Å; I628-L658 HydrophobicContact CD1-CD2 3.39Å; I628-L658 HydrophobicContact CD1-CG 3.73Å; I628-L658 HydrophobicContact CG1-CD2 4.05Å; I628-Y817 PolarHBondContact N-O 3.09Å; I628-Y817 PolarHBondContact O-N 2.86Å; I628-Q819 HydrophobicContact CB-CG 4.36Å; I628-Q819 HydrophobicContact CG2-CG 3.85Å
629	V	81.8	Confident	84.1	Confident	56 Å²	56	39 Å²	39	34%	0.339	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.6	-179	-175.3	0	0	0	0	108.3	Q634 E814	V629-Q634 PolarHBondContact O-OE1 2.85Å; V629-E814 HydrophobicContact CG1-CB 3.58Å; V629-E814 HydrophobicContact CG1-CG 3.82Å
630	L	86.5	Confident	84.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.4	-177.3	-76.5	172.4	0	0	0	112.5	I628 Q634 L658 V781 L808 V810 T815 Y817	I628-L630 HydrophobicContact CG2-CD1 4.46Å; L630-Q634 HydrophobicContact CD2-CB 4.24Å; L630-L658 HydrophobicContact CD1-CD2 3.92Å; L630-L658 HydrophobicContact CD2-CD1 4.02Å; L630-L658 HydrophobicContact CD2-CD2 3.94Å; L630-L658 HydrophobicContact CG-CD2 4.31Å; L630-V781 HydrophobicContact CD1-CG1 4.37Å; L630-L808 HydrophobicContact CD1-CD1 3.44Å; L630-L808 VanDerWaalsContact CD1-CD1 3.44Å; L630-V810 HydrophobicContact CB-CG1 4.08Å; L630-T815 PolarHBondContact N-O 3.1Å; L630-T815 PolarHBondContact O-N 3.12Å; L630-Y817 HydrophobicContact CB-CD2 4.09Å; L630-Y817 HydrophobicContact CB-CE2 4.2Å; L630-Y817 HydrophobicContact CD1-CD2 4.06Å; L630-Y817 HydrophobicContact CD1-CE2 4.47Å
631	S	87.9	Confident	84.7	Confident	2 Å²	2	42 Å²	42	1%	0.014	22%	0.218	C	C	.	.			trans	-137	173.9	172.4	61.8	0	0	0	0	108.5	M633 Q634 C635 T811	S631-M633 PolarHBondContact O-N 2.98Å; S631-M633 PolarHBondContact OG-N 2.9Å; S631-Q634 VanDerWaalsContact CB-OE1 3.3Å; S631-Q634 PolarHBondContact O-N 3.33Å; S631-Q634 PolarHBondContact OG-N 3.32Å; S631-Q634 PolarHBondContact OG-OE1 2.93Å; S631-C635 PolarHBondContact O-N 3.16Å; S631-T811 WeakPolarHBondContact CA-O 3.38Å; S631-T811 WeakPolarHBondContact CB-O 3.43Å
632	V	89.3	Confident	84.9	Confident	46 Å²	46	43.8 Å²	43.8	28%	0.279	23%	0.226	S	C	.	.	H	α-helix	trans	-54.4	-35.1	171.9	166	0	0	0	0	111.9	Q636 L773 V810 T811	V632-Q636 WeakPolarHBondContact O-CB 3.24Å; V632-Q636 PolarHBondContact O-N 3.04Å; V632-L773 HydrophobicContact CG1-CD2 4.21Å; V632-V810 HydrophobicContact CG2-CB 4.44Å; V632-V810 HydrophobicContact CG2-CG2 3.99Å; V632-T811 PolarHBondContact N-O 3Å
633	M	88.2	Confident	85.1	Confident	133 Å²	133	47.1 Å²	47.1	66%	0.655	25%	0.245	S	C	*	.	H	α-helix	trans	-72	-52.7	177.6	-62.7	-171.6	-59.5	0	0	111.7	S631 C635 Q636 D637	S631-M633 PolarHBondContact O-N 2.98Å; S631-M633 PolarHBondContact OG-N 2.9Å; M633-C635 VanDerWaalsContact C-N 3.27Å; M633-C635 PolarHBondContact O-N 2.7Å; M633-Q636 WeakPolarHBondContact O-CA 3.44Å; M633-Q636 PolarHBondContact O-N 2.94Å; M633-D637 PolarHBondContact O-N 3.05Å
634	Q	88.6	Confident	85	Confident	41 Å²	41	49.9 Å²	49.9	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-36.6	179.6	-78.4	136.6	-21.2	0	0	112.9	V629 L630 S631 A638 E814	V629-Q634 PolarHBondContact O-OE1 2.85Å; L630-Q634 HydrophobicContact CD2-CB 4.24Å; S631-Q634 VanDerWaalsContact CB-OE1 3.3Å; S631-Q634 PolarHBondContact O-N 3.33Å; S631-Q634 PolarHBondContact OG-N 3.32Å; S631-Q634 PolarHBondContact OG-OE1 2.93Å; Q634-A638 WeakPolarHBondContact O-CB 3.36Å; Q634-A638 PolarHBondContact O-N 3.07Å; Q634-E814 PolarHBondContact NE2-OE1 3.3Å
635	C	92.9	Very high	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-42.8	173.4	-171.2	0	0	0	0	112	S631 M633 A638 I639 L773 C778	S631-C635 PolarHBondContact O-N 3.16Å; M633-C635 VanDerWaalsContact C-N 3.27Å; M633-C635 PolarHBondContact O-N 2.7Å; C635-A638 WeakPolarHBondContact O-CB 3.38Å; C635-A638 PolarHBondContact O-N 2.92Å; C635-I639 WeakPolarHBondContact O-CD1 3.28Å; C635-I639 VanDerWaalsContact O-CG1 3.32Å; C635-I639 WeakPolarHBondContact O-CG1 3.36Å; C635-I639 PolarHBondContact O-N 2.88Å; C635-I639 VanDerWaalsContact O-N 3.12Å; C635-L773 HydrophobicContact CB-CD1 4.43Å; C635-C778 HydrophobicContact CB-CB 3.86Å; C635-C778 WeakPolarHBondContact CB-SG 3.28Å; C635-C778 VanDerWaalsContact SG-CA 3.56Å; C635-C778 WeakPolarHBondContact SG-CB 3.04Å; C635-C778 CovalentContact SG-SG 2.04Å; C635-C778 PolarHBondContact SG-SG 3.23Å
636	Q	91.7	Very high	85.2	Confident	77 Å²	77	49 Å²	49	36%	0.36	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-38.8	177	-174.2	58.5	64.1	0	0	112.1	V632 M633 I639 N640 L773	V632-Q636 WeakPolarHBondContact O-CB 3.24Å; V632-Q636 PolarHBondContact O-N 3.04Å; M633-Q636 WeakPolarHBondContact O-CA 3.44Å; M633-Q636 PolarHBondContact O-N 2.94Å; Q636-I639 WeakPolarHBondContact O-CB 3.4Å; Q636-I639 PolarHBondContact O-N 2.89Å; Q636-N640 PolarHBondContact NE2-OD1 2.91Å; Q636-N640 PolarHBondContact O-N 2.83Å; Q636-N640 PolarHBondContact O-ND2 2.99Å; Q636-N640 PolarHBondContact O-OD1 2.78Å; Q636-L773 HydrophobicContact CB-CD2 4.44Å
637	D	89.8	Confident	85.5	Confident	81 Å²	81	49 Å²	49	43%	0.433	26%	0.261	S	S	.	.	H	α-helix	trans	-67	-36.5	176.6	-69.9	-34.8	0	0	0	112.2	M633 N640 I641 L655	M633-D637 PolarHBondContact O-N 3.05Å; D637-N640 PolarHBondContact O-N 3.02Å; D637-N640 PolarHBondContact OD1-ND2 3.39Å; D637-I641 PolarHBondContact O-N 2.7Å; D637-I641 VanDerWaalsContact O-N 3.17Å; D637-L655 HydrophobicContact CB-CD1 4.36Å
638	A	90.4	Very high	85.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-49	169.3	0	0	0	0	0	111.4	Q634 C635 N640 I641 K642 L655 L658 F659 I771	Q634-A638 WeakPolarHBondContact O-CB 3.36Å; Q634-A638 PolarHBondContact O-N 3.07Å; C635-A638 WeakPolarHBondContact O-CB 3.38Å; C635-A638 PolarHBondContact O-N 2.92Å; A638-N640 VanDerWaalsContact C-N 3.3Å; A638-N640 PolarHBondContact O-N 2.87Å; A638-I641 WeakPolarHBondContact O-CG1 3.35Å; A638-I641 PolarHBondContact O-N 3.46Å; A638-K642 PolarHBondContact O-N 2.8Å; A638-L655 HydrophobicContact CB-CD2 4.23Å; A638-L658 HydrophobicContact CB-CD1 3.72Å; A638-F659 HydrophobicContact CB-CE2 3.95Å; A638-F659 HydrophobicContact CB-CZ 4.48Å; A638-F659 WeakPolarHBondContact O-CE2 3.46Å; A638-F659 VanDerWaalsContact O-CZ 3.22Å; A638-F659 WeakPolarHBondContact O-CZ 3.03Å; A638-I771 HydrophobicContact CB-CD1 4.12Å
639	I	91.2	Very high	85.9	Confident	45 Å²	45	51.2 Å²	51.2	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-40.8	176.9	-65.6	163	0	0	0	111	C635 Q636 I641 K642 I771 L773	C635-I639 WeakPolarHBondContact O-CD1 3.28Å; C635-I639 VanDerWaalsContact O-CG1 3.32Å; C635-I639 WeakPolarHBondContact O-CG1 3.36Å; C635-I639 PolarHBondContact O-N 2.88Å; C635-I639 VanDerWaalsContact O-N 3.12Å; Q636-I639 WeakPolarHBondContact O-CB 3.4Å; Q636-I639 PolarHBondContact O-N 2.89Å; I639-I641 VanDerWaalsContact C-N 3.31Å; I639-I641 PolarHBondContact O-N 2.87Å; I639-K642 VanDerWaalsContact O-CB 3.23Å; I639-K642 WeakPolarHBondContact O-CB 3.33Å; I639-K642 PolarHBondContact O-N 3.44Å; I639-I771 HydrophobicContact CD1-CG2 4.41Å; I639-I771 HydrophobicContact CG1-CB 4.39Å; I639-I771 HydrophobicContact CG1-CG2 4.05Å; I639-L773 HydrophobicContact CD1-CB 3.66Å
640	N	89.8	Confident	86.1	Confident	103 Å²	103	48.7 Å²	48.7	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-62.5	-34.1	179.6	-64.1	-21.9	0	0	0	112.6	Q636 D637 A638	Q636-N640 PolarHBondContact NE2-OD1 2.91Å; Q636-N640 PolarHBondContact O-N 2.83Å; Q636-N640 PolarHBondContact O-ND2 2.99Å; Q636-N640 PolarHBondContact O-OD1 2.78Å; D637-N640 PolarHBondContact O-N 3.02Å; D637-N640 PolarHBondContact OD1-ND2 3.39Å; A638-N640 VanDerWaalsContact C-N 3.3Å; A638-N640 PolarHBondContact O-N 2.87Å
641	I	84.5	Confident	86.3	Confident	44 Å²	44	48.6 Å²	48.6	23%	0.226	25%	0.251	C	S	.	.	H	α-helix	trans	-87.5	-2.8	179.2	68.4	155.6	0	0	0	114.6	D637 A638 I639 N643 N644 I645 L655	D637-I641 PolarHBondContact O-N 2.7Å; D637-I641 VanDerWaalsContact O-N 3.17Å; A638-I641 WeakPolarHBondContact O-CG1 3.35Å; A638-I641 PolarHBondContact O-N 3.46Å; I639-I641 VanDerWaalsContact C-N 3.31Å; I639-I641 PolarHBondContact O-N 2.87Å; I641-N643 VanDerWaalsContact C-N 3.26Å; I641-N643 PolarHBondContact O-N 3.11Å; I641-N644 WeakPolarHBondContact O-CB 3.03Å; I641-N644 PolarHBondContact O-N 2.83Å; I641-I645 HydrophobicContact CD1-CD1 4.19Å; I641-I645 HydrophobicContact CD1-CG1 4.33Å; I641-I645 HydrophobicContact CG1-CD1 4.33Å; I641-L655 HydrophobicContact CD1-CB 3.56Å; I641-L655 HydrophobicContact CD1-CD1 3.99Å; I641-L655 HydrophobicContact CD1-CG 4.44Å; I641-L655 HydrophobicContact CG1-CB 4.43Å; I641-L655 HydrophobicContact CG1-CD1 4.39Å
642	K	82.9	Confident	86.1	Confident	75 Å²	75	51.4 Å²	51.4	33%	0.326	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-38	-51.6	-172.7	177.4	-174.3	151.1	153.2	0	113.8	A638 I639 N644 I645 F659 R661 D770	A638-K642 PolarHBondContact O-N 2.8Å; I639-K642 VanDerWaalsContact O-CB 3.23Å; I639-K642 WeakPolarHBondContact O-CB 3.33Å; I639-K642 PolarHBondContact O-N 3.44Å; K642-N644 PolarHBondContact O-N 3.03Å; K642-N644 VanDerWaalsContact O-N 3.16Å; K642-I645 PolarHBondContact O-N 2.86Å; K642-F659 HydrophobicContact CB-CE1 4.29Å; K642-F659 HydrophobicContact CB-CZ 4.21Å; K642-F659 HydrophobicContact CG-CE1 4.14Å; K642-R661 PolarHBondContact O-NH1 3.35Å; K642-R661 PolarHBondContact O-NH2 3.13Å; K642-D770 HydrophobicContact CD-CB 4.12Å; K642-D770 VanDerWaalsContact CE-CG 3.5Å; K642-D770 WeakPolarHBondContact CE-OD2 3.44Å; K642-D770 IonicContact NZ-OD2 2.86Å; K642-D770 PolarHBondContact NZ-OD2 3.02Å
643	N	80.2	Confident	85.9	Confident	144 Å²	144	51.2 Å²	51.2	77%	0.77	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-73.7	-2.4	-172.4	-60.3	-10.4	0	0	0	114.5	I641	I641-N643 VanDerWaalsContact C-N 3.26Å; I641-N643 PolarHBondContact O-N 3.11Å
644	N	75.8	Confident	85.7	Confident	123 Å²	123	47.3 Å²	47.3	66%	0.658	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-101.7	-4.8	178.4	-56.6	-43	0	0	0	113.1	I641 K642	I641-N644 WeakPolarHBondContact O-CB 3.03Å; I641-N644 PolarHBondContact O-N 2.83Å; K642-N644 PolarHBondContact O-N 3.03Å; K642-N644 VanDerWaalsContact O-N 3.16Å
645	I	79.1	Confident	85.7	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.046	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-87.2	118.8	-173.8	-59.2	175.8	0	0	0	109.9	I641 K642 F659 R661 A662	I641-I645 HydrophobicContact CD1-CD1 4.19Å; I641-I645 HydrophobicContact CD1-CG1 4.33Å; I641-I645 HydrophobicContact CG1-CD1 4.33Å; K642-I645 PolarHBondContact O-N 2.86Å; I645-F659 HydrophobicContact CD1-CB 4.24Å; I645-F659 HydrophobicContact CD1-CD1 4.21Å; I645-F659 HydrophobicContact CD1-CD2 3.14Å; I645-F659 HydrophobicContact CD1-CE1 4.35Å; I645-F659 HydrophobicContact CD1-CE2 3.3Å; I645-F659 HydrophobicContact CD1-CG 3.62Å; I645-F659 HydrophobicContact CD1-CZ 3.94Å; I645-R661 PolarHBondContact O-NH1 2.89Å; I645-R661 VanDerWaalsContact O-NH1 3.12Å; I645-A662 HydrophobicContact CG2-CB 3.83Å
646	G	77.8	Confident	85.6	Confident	21 Å²	21	48.4 Å²	48.4	22%	0.216	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70.6	131.7	178.4	0	0	0	0	0	112.7
647	I	86.2	Confident	85.6	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-82.4	123.5	-174.2	-59.9	179.5	0	0	0	110.6	R661 I665 E675 I677 F678 L767	I647-R661 WeakPolarHBondContact CA-O 3.17Å; I647-R661 HydrophobicContact CG1-CG 4.46Å; I647-R661 HydrophobicContact CG2-CB 4.48Å; I647-I665 HydrophobicContact CG2-CD1 4.18Å; I647-I665 HydrophobicContact CG2-CG1 3.45Å; I647-I665 VanDerWaalsContact CG2-CG1 3.45Å; I647-E675 HydrophobicContact CD1-CB 4.26Å; I647-E675 WeakPolarHBondContact CD1-OE2 3.48Å; I647-I677 HydrophobicContact CB-CG1 4.08Å; I647-I677 HydrophobicContact CG2-CD1 4.35Å; I647-I677 HydrophobicContact CG2-CG1 3.86Å; I647-I677 HydrophobicContact CG2-CG2 4.21Å; I647-F678 WeakPolarHBondContact O-CB 3.45Å; I647-F678 WeakPolarHBondContact O-CD2 3.49Å; I647-F678 PolarHBondContact O-N 2.98Å; I647-L767 HydrophobicContact CD1-CD1 4.07Å; I647-L767 HydrophobicContact CG2-CD2 4.45Å
648	G	86.8	Confident	85.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	1.9	-179.8	0	0	0	0	0	116.1	R661 Y663	G648-R661 PolarHBondContact N-O 3.28Å; G648-R661 VanDerWaalsContact N-O 3.1Å; G648-Y663 VanDerWaalsContact CA-O 3.25Å; G648-Y663 WeakPolarHBondContact CA-O 3.41Å; G648-Y663 PolarHBondContact N-O 2.85Å
649	W	82.2	Confident	86	Confident	73 Å²	73	41 Å²	41	28%	0.277	21%	0.211	S	C	.	.	S	Bend	trans	-80.5	-21.2	-166.4	-154.5	2.4	0	0	0	115	E597 R652 A662 F678	E597-W649 HydrophobicContact CG-CZ2 4.33Å; E597-W649 WeakPolarHBondContact OE2-CZ2 3.11Å; E597-W649 PolarHBondContact OE2-NE1 3.45Å; W649-R652 HydrophobicContact CE3-CG 4.44Å; W649-A662 PolarHBondContact N-O 2.92Å; W649-F678 HydrophobicContact CB-CB 4.4Å; W649-F678 HydrophobicContact CB-CD2 3.66Å; W649-F678 HydrophobicContact CB-CE2 4.06Å; W649-F678 HydrophobicContact CB-CG 4.02Å; W649-F678 AromaticContact CD1-CD1 3.89Å; W649-F678 HydrophobicContact CD2-CD2 4.17Å; W649-F678 HydrophobicContact CD2-CE1 4.12Å; W649-F678 AromaticContact CD2-CE2 3.7Å; W649-F678 HydrophobicContact CD2-CE2 3.7Å; W649-F678 AromaticContact CD2-CZ 3.66Å; W649-F678 HydrophobicContact CD2-CZ 3.66Å; W649-F678 AromaticContact CE2-CE1 3.9Å; W649-F678 AromaticContact CE2-CZ 3.77Å; W649-F678 AromaticContact CE3-CE2 3.81Å; W649-F678 HydrophobicContact CE3-CE2 3.81Å; W649-F678 AromaticContact CE3-CZ 3.92Å; W649-F678 HydrophobicContact CE3-CZ 3.92Å; W649-F678 HydrophobicContact CG-CD1 4.19Å; W649-F678 AromaticContact CG-CD2 3.79Å; W649-F678 HydrophobicContact CG-CD2 3.79Å; W649-F678 HydrophobicContact CG-CE1 4.24Å; W649-F678 AromaticContact CG-CE2 3.85Å; W649-F678 HydrophobicContact CG-CE2 3.85Å; W649-F678 AromaticContact CG-CG 3.97Å; W649-F678 HydrophobicContact CG-CG 3.97Å; W649-F678 HydrophobicContact CG-CZ 4.07Å; W649-F678 HydrophobicContact CH2-CZ 4.38Å; W649-F678 HydrophobicContact CZ2-CE1 4.4Å; W649-F678 HydrophobicContact CZ2-CZ 4.16Å; W649-F678 HydrophobicContact CZ3-CE2 4.47Å; W649-F678 HydrophobicContact CZ3-CZ 4.26Å; W649-F678 AromaticContact NE1-CE1 3.76Å
650	G	87.2	Confident	86.1	Confident	2 Å²	2	39 Å²	39	2%	0.021	20%	0.201	C	C	.	.			trans	81.5	140.4	-155.4	0	0	0	0	0	110.6	V600 A662	V600-G650 WeakPolarHBondContact O-CA 3.25Å; G650-A662 CarbonylContact C-O 3.42Å; G650-A662 VanDerWaalsContact CA-O 3.28Å; G650-A662 WeakPolarHBondContact CA-O 3.3Å; G650-A662 PolarHBondContact N-O 3.37Å
651	P	90.1	Very high	86.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.			trans	-66.7	139.2	-175.6	29.5	-36.8	0	0	0	111.7	P602 N612 D656 R657 A662 Y663	P602-P651 HydrophobicContact CG-CG 4.37Å; N612-P651 PolarHBondContact OD1-O 2.91Å; P651-D656 HydrophobicContact CB-CB 3.72Å; P651-R657 HydrophobicContact CB-CB 4.25Å; P651-R657 HydrophobicContact CB-CG 3.68Å; P651-R657 HydrophobicContact CG-CG 3.89Å; P651-A662 HydrophobicContact CB-CB 4.38Å; P651-Y663 HydrophobicContact CG-CD1 4.42Å; P651-Y663 HydrophobicContact CG-CE1 3.63Å
652	R	83.1	Confident	86.5	Confident	60 Å²	60	32.6 Å²	32.6	23%	0.226	17%	0.167	C	C	.	.			trans	-108.9	-38.9	-178.7	-58.7	-71.6	175.3	179.7	-10.8	112.4	Y598 V600 N612 W649 D656	Y598-R652 PolarHBondContact O-NH2 3.14Å; V600-R652 VanDerWaalsContact CG1-NH1 3.25Å; N612-R652 PolarHBondContact ND2-O 3.23Å; W649-R652 HydrophobicContact CE3-CG 4.44Å; R652-D656 WeakPolarHBondContact CA-OD2 3.4Å; R652-D656 WeakPolarHBondContact CB-OD2 3.47Å; R652-D656 PolarHBondContact N-OD2 3.35Å
653	T	85.5	Confident	87.1	Confident	43 Å²	43	29 Å²	29	26%	0.264	15%	0.151	S	C	.	.	S	Bend	trans	-99.1	169	176.3	77.8	0	0	0	0	111.7	E610 L655 D656 R657	E610-T653 VanDerWaalsContact OE1-CA 3.31Å; E610-T653 WeakPolarHBondContact OE1-CA 3.42Å; E610-T653 VanDerWaalsContact OE1-CB 3.29Å; E610-T653 WeakPolarHBondContact OE1-CB 3.21Å; T653-L655 PolarHBondContact O-N 2.97Å; T653-L655 PolarHBondContact OG1-N 2.86Å; T653-D656 PolarHBondContact N-OD2 2.63Å; T653-D656 PolarHBondContact OG1-N 3.4Å; T653-D656 PolarHBondContact OG1-OD1 2.95Å; T653-R657 WeakPolarHBondContact O-CG 3.21Å
654	L	84.5	Confident	87.6	Confident	51 Å²	51	22.3 Å²	22.3	27%	0.267	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34	168.8	-88.6	161.1	0	0	0	112.5	E610 I628 R657	E610-L654 HydrophobicContact CG-CD1 3.93Å; E610-L654 HydrophobicContact CG-CG 4.06Å; E610-L654 PolarHBondContact OE1-N 3.44Å; I628-L654 WeakPolarHBondContact CD1-O 3.42Å; L654-R657 VanDerWaalsContact CD2-NH1 3.32Å
655	L	88.4	Confident	88.2	Confident	47 Å²	47	16.7 Å²	16.7	25%	0.246	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-33.7	-178.4	-63	177	0	0	0	112.5	D637 A638 I641 T653 R657 L658	D637-L655 HydrophobicContact CB-CD1 4.36Å; A638-L655 HydrophobicContact CB-CD2 4.23Å; I641-L655 HydrophobicContact CD1-CB 3.56Å; I641-L655 HydrophobicContact CD1-CD1 3.99Å; I641-L655 HydrophobicContact CD1-CG 4.44Å; I641-L655 HydrophobicContact CG1-CB 4.43Å; I641-L655 HydrophobicContact CG1-CD1 4.39Å; T653-L655 PolarHBondContact O-N 2.97Å; T653-L655 PolarHBondContact OG1-N 2.86Å; L655-R657 PolarHBondContact O-N 3.08Å; L655-L658 HydrophobicContact CD2-CD1 4.19Å; L655-L658 WeakPolarHBondContact O-CB 3.2Å; L655-L658 PolarHBondContact O-N 3.38Å; L655-L658 VanDerWaalsContact O-N 3.16Å
656	D	89.6	Confident	88.3	Confident	17 Å²	17	17 Å²	17	9%	0.091	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-56.5	-37.2	176.7	-60	-3.5	0	0	0	111.3	P651 R652 T653 L658 F659 A662	P651-D656 HydrophobicContact CB-CB 3.72Å; R652-D656 WeakPolarHBondContact CA-OD2 3.4Å; R652-D656 WeakPolarHBondContact CB-OD2 3.47Å; R652-D656 PolarHBondContact N-OD2 3.35Å; T653-D656 PolarHBondContact N-OD2 2.63Å; T653-D656 PolarHBondContact OG1-N 3.4Å; T653-D656 PolarHBondContact OG1-OD1 2.95Å; D656-L658 PolarHBondContact O-N 2.85Å; D656-L658 VanDerWaalsContact O-N 3.07Å; D656-F659 PolarHBondContact O-N 2.64Å; D656-A662 HydrophobicContact CB-CB 4.39Å; D656-A662 WeakPolarHBondContact O-CB 3.46Å
657	R	92	Very high	87.9	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-57.8	-24.5	-177.6	-63.2	172.1	-170.9	178	1.4	113.2	P602 C607 I628 P651 T653 L654 L655 F659 Y663 Q819	P602-R657 HydrophobicContact CG-CG 4.04Å; C607-R657 VanDerWaalsContact O-CZ 3.28Å; C607-R657 PolarHBondContact O-NH1 3.04Å; C607-R657 PolarHBondContact O-NH2 2.83Å; I628-R657 HydrophobicContact CD1-CB 4.38Å; P651-R657 HydrophobicContact CB-CB 4.25Å; P651-R657 HydrophobicContact CB-CG 3.68Å; P651-R657 HydrophobicContact CG-CG 3.89Å; T653-R657 WeakPolarHBondContact O-CG 3.21Å; L654-R657 VanDerWaalsContact CD2-NH1 3.32Å; L655-R657 PolarHBondContact O-N 3.08Å; R657-F659 VanDerWaalsContact C-N 3.35Å; R657-Y663 WeakPolarHBondContact CA-OH 3.28Å; R657-Y663 WeakPolarHBondContact O-CE2 3.26Å; R657-Y663 PolarHBondContact O-OH 2.91Å; R657-Q819 VanDerWaalsContact CB-OE1 3.25Å; R657-Q819 PolarHBondContact O-NE2 3.27Å
658	L	93.8	Very high	87	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-73.7	-27.8	179.5	-59.8	165.6	0	0	0	112	I628 L630 A638 L655 D656 I771 V781 V782	I628-L658 HydrophobicContact CD1-CD1 4.5Å; I628-L658 HydrophobicContact CD1-CD2 3.39Å; I628-L658 HydrophobicContact CD1-CG 3.73Å; I628-L658 HydrophobicContact CG1-CD2 4.05Å; L630-L658 HydrophobicContact CD1-CD2 3.92Å; L630-L658 HydrophobicContact CD2-CD1 4.02Å; L630-L658 HydrophobicContact CD2-CD2 3.94Å; L630-L658 HydrophobicContact CG-CD2 4.31Å; A638-L658 HydrophobicContact CB-CD1 3.72Å; L655-L658 HydrophobicContact CD2-CD1 4.19Å; L655-L658 WeakPolarHBondContact O-CB 3.2Å; L655-L658 PolarHBondContact O-N 3.38Å; L655-L658 VanDerWaalsContact O-N 3.16Å; D656-L658 PolarHBondContact O-N 2.85Å; D656-L658 VanDerWaalsContact O-N 3.07Å; L658-I771 HydrophobicContact CB-CD1 3.29Å; L658-I771 HydrophobicContact CB-CG1 4.49Å; L658-I771 HydrophobicContact CD1-CD1 4.25Å; L658-I771 HydrophobicContact CG-CD1 4.38Å; L658-V781 HydrophobicContact CB-CG1 4.41Å; L658-V781 HydrophobicContact CD2-CG1 3.52Å; L658-V782 PolarHBondContact O-N 2.85Å
659	F	94.6	Very high	86.2	Confident	1 Å²	1	20 Å²	20	0%	0.004	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-89.5	123.6	-171.7	-76.4	-94.3	0	0	0	112.8	A638 K642 I645 D656 R657 R661 A662 Y663 D770 I771	A638-F659 HydrophobicContact CB-CE2 3.95Å; A638-F659 HydrophobicContact CB-CZ 4.48Å; A638-F659 WeakPolarHBondContact O-CE2 3.46Å; A638-F659 VanDerWaalsContact O-CZ 3.22Å; A638-F659 WeakPolarHBondContact O-CZ 3.03Å; K642-F659 HydrophobicContact CB-CE1 4.29Å; K642-F659 HydrophobicContact CB-CZ 4.21Å; K642-F659 HydrophobicContact CG-CE1 4.14Å; I645-F659 HydrophobicContact CD1-CB 4.24Å; I645-F659 HydrophobicContact CD1-CD1 4.21Å; I645-F659 HydrophobicContact CD1-CD2 3.14Å; I645-F659 HydrophobicContact CD1-CE1 4.35Å; I645-F659 HydrophobicContact CD1-CE2 3.3Å; I645-F659 HydrophobicContact CD1-CG 3.62Å; I645-F659 HydrophobicContact CD1-CZ 3.94Å; D656-F659 PolarHBondContact O-N 2.64Å; R657-F659 VanDerWaalsContact C-N 3.35Å; F659-R661 VanDerWaalsContact C-N 3.25Å; F659-R661 PolarHBondContact O-N 2.68Å; F659-A662 HydrophobicContact CB-CB 4.5Å; F659-A662 WeakPolarHBondContact O-CB 3.46Å; F659-A662 PolarHBondContact O-N 2.73Å; F659-A662 VanDerWaalsContact O-N 3.1Å; F659-Y663 WeakPolarHBondContact O-CD2 3.33Å; F659-Y663 WeakPolarHBondContact O-CE2 3.23Å; F659-D770 HydrophobicContact CD1-CB 4.36Å; F659-D770 VanDerWaalsContact CD1-OD1 3.27Å; F659-D770 WeakPolarHBondContact CD1-OD1 3.37Å; F659-D770 HydrophobicContact CE1-CB 4.06Å; F659-D770 VanDerWaalsContact CE1-OD1 3.31Å; F659-D770 WeakPolarHBondContact CE1-OD1 3.25Å; F659-I771 HydrophobicContact CD1-CD1 4.07Å; F659-I771 HydrophobicContact CD1-CG1 3.97Å; F659-I771 HydrophobicContact CD2-CD1 3.52Å; F659-I771 HydrophobicContact CD2-CG1 4.32Å; F659-I771 HydrophobicContact CE1-CB 4.06Å; F659-I771 HydrophobicContact CE1-CD1 4Å; F659-I771 HydrophobicContact CE1-CG1 3.92Å; F659-I771 HydrophobicContact CE2-CD1 3.47Å; F659-I771 VanDerWaalsContact CE2-CD1 3.47Å; F659-I771 HydrophobicContact CE2-CG1 4.3Å; F659-I771 HydrophobicContact CG-CD1 3.85Å; F659-I771 HydrophobicContact CG-CG1 4.18Å; F659-I771 HydrophobicContact CZ-CB 4.17Å; F659-I771 HydrophobicContact CZ-CD1 3.71Å; F659-I771 HydrophobicContact CZ-CG1 4.1Å
660	A	93.9	Very high	85.6	Confident	2 Å²	2	17.1 Å²	17.1	2%	0.017	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-54.2	-36.9	176.5	0	0	0	0	0	113.9	A662 Y663 Y697 P768 V782 V803	A660-A662 VanDerWaalsContact C-N 3.35Å; A660-A662 PolarHBondContact O-N 2.81Å; A660-Y663 PolarHBondContact O-N 2.93Å; A660-Y697 HydrophobicContact CB-CE1 4.12Å; A660-P768 HydrophobicContact CB-CB 3.57Å; A660-P768 HydrophobicContact CB-CG 3.62Å; A660-V782 HydrophobicContact CB-CG2 3.97Å; A660-V803 HydrophobicContact CB-CG1 4.44Å
661	R	91.4	Very high	84.2	Confident	12 Å²	12	20.1 Å²	20.1	5%	0.045	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-77.6	-8.8	-180	69.3	-180	164.8	80.4	30.1	116.1	K642 I645 I647 G648 F659 Y663 I665 P768 D770	K642-R661 PolarHBondContact O-NH1 3.35Å; K642-R661 PolarHBondContact O-NH2 3.13Å; I645-R661 PolarHBondContact O-NH1 2.89Å; I645-R661 VanDerWaalsContact O-NH1 3.12Å; I647-R661 WeakPolarHBondContact CA-O 3.17Å; I647-R661 HydrophobicContact CG1-CG 4.46Å; I647-R661 HydrophobicContact CG2-CB 4.48Å; G648-R661 PolarHBondContact N-O 3.28Å; G648-R661 VanDerWaalsContact N-O 3.1Å; F659-R661 VanDerWaalsContact C-N 3.25Å; F659-R661 PolarHBondContact O-N 2.68Å; R661-Y663 PolarHBondContact O-N 3.03Å; R661-I665 HydrophobicContact CB-CD1 4.08Å; R661-P768 HydrophobicContact CB-CG 4.26Å; R661-D770 IonicContact CZ-OD1 3.57Å; R661-D770 VanDerWaalsContact CZ-OD1 3.26Å; R661-D770 IonicContact NE-OD1 3.77Å; R661-D770 PolarHBondContact NE-OD1 3.38Å; R661-D770 IonicContact NE-OD2 3.67Å; R661-D770 IonicContact NH2-OD1 2.7Å; R661-D770 PolarHBondContact NH2-OD1 2.66Å
662	A	91.8	Very high	82.8	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.017	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-69.5	-24.6	171.3	0	0	0	0	0	111.7	I645 W649 G650 P651 D656 F659 A660	I645-A662 HydrophobicContact CG2-CB 3.83Å; W649-A662 PolarHBondContact N-O 2.92Å; G650-A662 CarbonylContact C-O 3.42Å; G650-A662 VanDerWaalsContact CA-O 3.28Å; G650-A662 WeakPolarHBondContact CA-O 3.3Å; G650-A662 PolarHBondContact N-O 3.37Å; P651-A662 HydrophobicContact CB-CB 4.38Å; D656-A662 HydrophobicContact CB-CB 4.39Å; D656-A662 WeakPolarHBondContact O-CB 3.46Å; F659-A662 HydrophobicContact CB-CB 4.5Å; F659-A662 WeakPolarHBondContact O-CB 3.46Å; F659-A662 PolarHBondContact O-N 2.73Å; F659-A662 VanDerWaalsContact O-N 3.1Å; A660-A662 VanDerWaalsContact C-N 3.35Å; A660-A662 PolarHBondContact O-N 2.81Å
663	Y	94.4	Very high	81.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-84.6	174.6	176.3	-58.8	-73.7	0	0	0	111.3	G648 P651 R657 F659 A660 R661 V782 V785 Y787 Y821	G648-Y663 VanDerWaalsContact CA-O 3.25Å; G648-Y663 WeakPolarHBondContact CA-O 3.41Å; G648-Y663 PolarHBondContact N-O 2.85Å; P651-Y663 HydrophobicContact CG-CD1 4.42Å; P651-Y663 HydrophobicContact CG-CE1 3.63Å; R657-Y663 WeakPolarHBondContact CA-OH 3.28Å; R657-Y663 WeakPolarHBondContact O-CE2 3.26Å; R657-Y663 PolarHBondContact O-OH 2.91Å; F659-Y663 WeakPolarHBondContact O-CD2 3.33Å; F659-Y663 WeakPolarHBondContact O-CE2 3.23Å; A660-Y663 PolarHBondContact O-N 2.93Å; R661-Y663 PolarHBondContact O-N 3.03Å; Y663-V782 HydrophobicContact CD2-CG1 4.43Å; Y663-V782 HydrophobicContact CD2-CG2 4.15Å; Y663-V782 HydrophobicContact CE2-CB 3.98Å; Y663-V782 HydrophobicContact CE2-CG1 3.78Å; Y663-V782 HydrophobicContact CE2-CG2 3.82Å; Y663-V785 HydrophobicContact CD1-CG1 4.42Å; Y663-V785 HydrophobicContact CD1-CG2 3.88Å; Y663-V785 HydrophobicContact CD2-CG2 4.24Å; Y663-V785 HydrophobicContact CE1-CG2 3.78Å; Y663-V785 HydrophobicContact CE2-CG2 4.2Å; Y663-V785 HydrophobicContact CG-CG2 4.08Å; Y663-Y787 WeakPolarHBondContact CB-OH 3.2Å; Y663-Y787 WeakPolarHBondContact CD1-OH 3.47Å; Y663-Y821 AromaticContact CE1-CE1 3.78Å; Y663-Y821 HydrophobicContact CE1-CE1 3.78Å; Y663-Y821 WeakPolarHBondContact OH-CE1 3.5Å; Y663-Y821 PolarHBondContact OH-OH 3.36Å
664	L	91.8	Very high	80.5	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.136	C	C	.	.			trans	-56	144.7	177.8	-60.3	-176.7	0	0	0	111.3	F599 L680 V693 Y787 F789 A799	F599-L664 HydrophobicContact CD2-CD2 3.89Å; F599-L664 HydrophobicContact CE2-CD2 3.53Å; F599-L664 HydrophobicContact CE2-CG 3.87Å; F599-L664 HydrophobicContact CZ-CD1 4.42Å; F599-L664 HydrophobicContact CZ-CD2 4.01Å; F599-L664 HydrophobicContact CZ-CG 3.86Å; L664-L680 HydrophobicContact CD1-CD1 3.63Å; L664-L680 HydrophobicContact CD2-CD1 4.01Å; L664-L680 HydrophobicContact CD2-CG 4.1Å; L664-V693 HydrophobicContact CB-CG1 3.99Å; L664-V693 HydrophobicContact CD1-CG1 4.32Å; L664-Y787 HydrophobicContact CB-CE1 4.08Å; L664-Y787 HydrophobicContact CD1-CD1 3.9Å; L664-Y787 HydrophobicContact CD1-CE1 3.5Å; L664-Y787 HydrophobicContact CG-CE1 3.64Å; L664-Y787 PolarHBondContact N-OH 3.32Å; L664-F789 HydrophobicContact CD1-CE1 4.25Å; L664-A799 HydrophobicContact CD1-CB 4.09Å
665	I	87.8	Confident	79.7	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.144	C	C	.	.			trans	-109.6	147.6	-179.1	-64.5	-54.8	0	0	0	110.2	I647 R661 A669 I670 V693 Y697 L767 P768	I647-I665 HydrophobicContact CG2-CD1 4.18Å; I647-I665 HydrophobicContact CG2-CG1 3.45Å; I647-I665 VanDerWaalsContact CG2-CG1 3.45Å; R661-I665 HydrophobicContact CB-CD1 4.08Å; I665-A669 HydrophobicContact CG2-CB 4.07Å; I665-I670 HydrophobicContact CB-CG1 4.32Å; I665-I670 HydrophobicContact CG2-CG1 3.78Å; I665-V693 WeakPolarHBondContact O-CB 3.43Å; I665-V693 WeakPolarHBondContact O-CG1 2.94Å; I665-Y697 WeakPolarHBondContact CD1-OH 3.43Å; I665-L767 HydrophobicContact CB-CD2 4.43Å; I665-L767 HydrophobicContact CD1-CD2 3.65Å; I665-L767 HydrophobicContact CG1-CD2 3.91Å; I665-L767 HydrophobicContact CG2-CD2 3.6Å; I665-P768 HydrophobicContact CD1-CG 4.35Å
666	D	82.2	Confident	78.8	Confident	15 Å²	15	30.1 Å²	30.1	8%	0.08	16%	0.157	C	C	.	.			trans	-67.6	131.8	174	-163.5	-72.5	0	0	0	111.2	L668 A669 I670 K694 V695	D666-L668 PolarHBondContact O-N 2.82Å; D666-L668 VanDerWaalsContact O-N 3.14Å; D666-L668 WeakPolarHBondContact OD1-CB 3.46Å; D666-L668 WeakPolarHBondContact OD1-CG 3.45Å; D666-L668 PolarHBondContact OD1-N 2.89Å; D666-A669 WeakPolarHBondContact O-CB 3.33Å; D666-A669 PolarHBondContact O-N 2.51Å; D666-I670 PolarHBondContact O-N 3.35Å; D666-K694 WeakPolarHBondContact OD2-CA 3.12Å; D666-V695 HydrophobicContact CB-CB 4.11Å; D666-V695 HydrophobicContact CB-CG2 4.23Å; D666-V695 PolarHBondContact OD2-N 2.87Å
667	D	69.5	Low	78.2	Confident	35 Å²	35	29.4 Å²	29.4	19%	0.187	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-27.4	-176.5	-76.8	-20.1	0	0	0	113.4	A669 I670 R679 P692 V693	D667-A669 VanDerWaalsContact C-N 3.29Å; D667-A669 PolarHBondContact O-N 3.08Å; D667-I670 PolarHBondContact O-N 3.12Å; D667-I670 WeakPolarHBondContact OD1-CD1 3.47Å; D667-R679 IonicContact OD1-CZ 2.65Å; D667-R679 VanDerWaalsContact OD1-CZ 3.28Å; D667-R679 IonicContact OD1-NE 3.26Å; D667-R679 PolarHBondContact OD1-NE 3.46Å; D667-R679 IonicContact OD1-NH2 3.77Å; D667-R679 PolarHBondContact OD1-NH2 3.37Å; D667-R679 IonicContact OD2-NH2 2.92Å; D667-R679 PolarHBondContact OD2-NH2 2.77Å; D667-P692 VanDerWaalsContact OD2-CA 3.28Å; D667-P692 WeakPolarHBondContact OD2-CA 3.13Å; D667-V693 PolarHBondContact N-O 2.86Å; D667-V693 PolarHBondContact OD2-N 3.08Å
668	L	65.9	Low	77.9	Confident	50 Å²	50	30.4 Å²	30.4	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-64.3	-36	174.7	-64.2	177.3	0	0	0	111.5	D666 S671 G764 F765	D666-L668 PolarHBondContact O-N 2.82Å; D666-L668 VanDerWaalsContact O-N 3.14Å; D666-L668 WeakPolarHBondContact OD1-CB 3.46Å; D666-L668 WeakPolarHBondContact OD1-CG 3.45Å; D666-L668 PolarHBondContact OD1-N 2.89Å; L668-S671 PolarHBondContact O-OG 2.82Å; L668-G764 WeakPolarHBondContact CB-O 3.08Å; L668-F765 HydrophobicContact CB-CD1 3.94Å; L668-F765 HydrophobicContact CB-CE1 4.26Å; L668-F765 HydrophobicContact CD1-CE1 4.25Å; L668-F765 HydrophobicContact CD2-CE1 4.26Å
669	A	70.2	Confident	77.4	Confident	2 Å²	2	31.9 Å²	31.9	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-74.6	-38.2	176.4	0	0	0	0	0	112.8	I665 D666 D667 S671 R672 Y673 G764 F765	I665-A669 HydrophobicContact CG2-CB 4.07Å; D666-A669 WeakPolarHBondContact O-CB 3.33Å; D666-A669 PolarHBondContact O-N 2.51Å; D667-A669 VanDerWaalsContact C-N 3.29Å; D667-A669 PolarHBondContact O-N 3.08Å; A669-S671 PolarHBondContact O-N 3.07Å; A669-S671 VanDerWaalsContact O-N 3.07Å; A669-R672 PolarHBondContact O-N 3.1Å; A669-R672 VanDerWaalsContact O-N 3.08Å; A669-Y673 WeakPolarHBondContact O-CD2 3.48Å; A669-G764 PolarHBondContact N-O 2.81Å; A669-F765 WeakPolarHBondContact CA-O 3.19Å
670	I	69.7	Low	77	Confident	12 Å²	12	31.8 Å²	31.8	6%	0.062	16%	0.163	C	C	.	.	H	α-helix	trans	-51.3	-38	-179.8	-62	-175	0	0	0	111.5	I665 D666 D667 R672 Y673 I677 R679	I665-I670 HydrophobicContact CB-CG1 4.32Å; I665-I670 HydrophobicContact CG2-CG1 3.78Å; D666-I670 PolarHBondContact O-N 3.35Å; D667-I670 PolarHBondContact O-N 3.12Å; D667-I670 WeakPolarHBondContact OD1-CD1 3.47Å; I670-R672 PolarHBondContact O-N 2.66Å; I670-Y673 PolarHBondContact O-N 3.48Å; I670-I677 HydrophobicContact CB-CD1 4.28Å; I670-I677 HydrophobicContact CD1-CG2 3.92Å; I670-I677 HydrophobicContact CG1-CD1 4.21Å; I670-I677 HydrophobicContact CG1-CG2 4.17Å; I670-I677 HydrophobicContact CG2-CD1 3.98Å; I670-R679 HydrophobicContact CD1-CG 3.96Å
671	S	58.6	Low	76.3	Confident	64 Å²	64	32.5 Å²	32.5	45%	0.448	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.2	-178.3	73.1	0	0	0	0	116	L668 A669	L668-S671 PolarHBondContact O-OG 2.82Å; A669-S671 PolarHBondContact O-N 3.07Å; A669-S671 VanDerWaalsContact O-N 3.07Å
672	R	60.7	Low	75.6	Confident	113 Å²	113	34 Å²	34	43%	0.426	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-8.7	-172.9	-66	-168	175.3	168.4	0.6	115.7	A669 I670 F765 D766	A669-R672 PolarHBondContact O-N 3.1Å; A669-R672 VanDerWaalsContact O-N 3.08Å; I670-R672 PolarHBondContact O-N 2.66Å; R672-F765 WeakPolarHBondContact CD-O 3.27Å; R672-F765 VanDerWaalsContact NH1-CB 3.25Å; R672-D766 IonicContact NH1-OD1 2.71Å; R672-D766 PolarHBondContact NH1-OD1 3.07Å
673	Y	60.9	Low	74.8	Confident	74 Å²	74	34.8 Å²	34.8	29%	0.29	18%	0.177	S	C	.	.			trans	-116	144.1	-170.2	-68.8	-96.5	0	0	0	112.5	V580 A669 I670 L767	V580-Y673 WeakPolarHBondContact CB-O 3.45Å; V580-Y673 VanDerWaalsContact CG1-O 3.28Å; V580-Y673 WeakPolarHBondContact CG1-O 3.25Å; V580-Y673 WeakPolarHBondContact CG2-O 3.21Å; A669-Y673 WeakPolarHBondContact O-CD2 3.48Å; I670-Y673 PolarHBondContact O-N 3.48Å; Y673-L767 HydrophobicContact CD1-CD1 3.58Å; Y673-L767 HydrophobicContact CD1-CG 4.22Å; Y673-L767 HydrophobicContact CD2-CD1 4Å; Y673-L767 HydrophobicContact CD2-CG 3.82Å; Y673-L767 HydrophobicContact CE1-CB 4.21Å; Y673-L767 HydrophobicContact CE1-CD1 3.61Å; Y673-L767 HydrophobicContact CE1-CG 3.98Å; Y673-L767 HydrophobicContact CE2-CB 4.03Å; Y673-L767 HydrophobicContact CE2-CD1 4.05Å; Y673-L767 HydrophobicContact CE2-CG 3.58Å; Y673-L767 HydrophobicContact CG-CD1 3.77Å; Y673-L767 HydrophobicContact CG-CG 4.14Å; Y673-L767 PolarHBondContact OH-N 3.47Å; Y673-L767 VanDerWaalsContact OH-N 3.09Å
674	S	59.6	Low	73.7	Confident	51 Å²	51	38.8 Å²	38.8	36%	0.357	19%	0.192	S	C	.	.			trans	-93.1	-7.6	-175.8	40	0	0	0	0	114.6	Q276	Q276-S674 PolarHBondContact OE1-OG 2.04Å
675	E	66.8	Low	72.3	Confident	94 Å²	94	40.5 Å²	40.5	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-75.9	150.2	178.1	-68.8	-178.8	-163.9	0	0	111.1	I647 I677	I647-E675 HydrophobicContact CD1-CB 4.26Å; I647-E675 WeakPolarHBondContact CD1-OE2 3.48Å; E675-I677 PolarHBondContact O-N 2.9Å
676	P	69.3	Low	70.5	Confident	80 Å²	80	50.4 Å²	50.4	52%	0.519	24%	0.238	S	C	.	.			trans	-67.5	120.6	176.6	27.3	-33.3	0	0	0	110.6	I577	I577-P676 HydrophobicContact CG2-CB 3.76Å
677	I	78.1	Confident	69.1	Low	1 Å²	1	53 Å²	53	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.7	-178.1	-66.1	169.4	0	0	0	109.7	Q578 I647 I670 E675 R679	Q578-I677 PolarHBondContact N-O 2.9Å; I647-I677 HydrophobicContact CB-CG1 4.08Å; I647-I677 HydrophobicContact CG2-CD1 4.35Å; I647-I677 HydrophobicContact CG2-CG1 3.86Å; I647-I677 HydrophobicContact CG2-CG2 4.21Å; I670-I677 HydrophobicContact CB-CD1 4.28Å; I670-I677 HydrophobicContact CD1-CG2 3.92Å; I670-I677 HydrophobicContact CG1-CD1 4.21Å; I670-I677 HydrophobicContact CG1-CG2 4.17Å; I670-I677 HydrophobicContact CG2-CD1 3.98Å; E675-I677 PolarHBondContact O-N 2.9Å; I677-R679 HydrophobicContact CG2-CG 4.32Å
678	F	84.3	Confident	68.5	Low	21 Å²	21	54.8 Å²	54.8	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.2	173.2	-66.5	-84.4	0	0	0	110	L575 M576 I577 E597 I647 W649	L575-F678 HydrophobicContact CD1-CB 4.48Å; L575-F678 HydrophobicContact CD1-CD1 4.47Å; L575-F678 HydrophobicContact CD2-CB 4.44Å; M576-F678 WeakPolarHBondContact O-CA 3.14Å; I577-F678 HydrophobicContact CD1-CD1 4.5Å; I577-F678 HydrophobicContact CD1-CE1 3.68Å; I577-F678 HydrophobicContact CD1-CZ 4.02Å; I577-F678 HydrophobicContact CG1-CD1 3.62Å; I577-F678 HydrophobicContact CG1-CE1 3.27Å; I577-F678 HydrophobicContact CG1-CZ 3.94Å; E597-F678 WeakPolarHBondContact OE2-CE1 3.35Å; I647-F678 WeakPolarHBondContact O-CB 3.45Å; I647-F678 WeakPolarHBondContact O-CD2 3.49Å; I647-F678 PolarHBondContact O-N 2.98Å; W649-F678 HydrophobicContact CB-CB 4.4Å; W649-F678 HydrophobicContact CB-CD2 3.66Å; W649-F678 HydrophobicContact CB-CE2 4.06Å; W649-F678 HydrophobicContact CB-CG 4.02Å; W649-F678 AromaticContact CD1-CD1 3.89Å; W649-F678 HydrophobicContact CD2-CD2 4.17Å; W649-F678 HydrophobicContact CD2-CE1 4.12Å; W649-F678 AromaticContact CD2-CE2 3.7Å; W649-F678 HydrophobicContact CD2-CE2 3.7Å; W649-F678 AromaticContact CD2-CZ 3.66Å; W649-F678 HydrophobicContact CD2-CZ 3.66Å; W649-F678 AromaticContact CE2-CE1 3.9Å; W649-F678 AromaticContact CE2-CZ 3.77Å; W649-F678 AromaticContact CE3-CE2 3.81Å; W649-F678 HydrophobicContact CE3-CE2 3.81Å; W649-F678 AromaticContact CE3-CZ 3.92Å; W649-F678 HydrophobicContact CE3-CZ 3.92Å; W649-F678 HydrophobicContact CG-CD1 4.19Å; W649-F678 AromaticContact CG-CD2 3.79Å; W649-F678 HydrophobicContact CG-CD2 3.79Å; W649-F678 HydrophobicContact CG-CE1 4.24Å; W649-F678 AromaticContact CG-CE2 3.85Å; W649-F678 HydrophobicContact CG-CE2 3.85Å; W649-F678 AromaticContact CG-CG 3.97Å; W649-F678 HydrophobicContact CG-CG 3.97Å; W649-F678 HydrophobicContact CG-CZ 4.07Å; W649-F678 HydrophobicContact CH2-CZ 4.38Å; W649-F678 HydrophobicContact CZ2-CE1 4.4Å; W649-F678 HydrophobicContact CZ2-CZ 4.16Å; W649-F678 HydrophobicContact CZ3-CE2 4.47Å; W649-F678 HydrophobicContact CZ3-CZ 4.26Å; W649-F678 AromaticContact NE1-CE1 3.76Å
679	R	83.7	Confident	68.6	Low	32 Å²	32	55.4 Å²	55.4	12%	0.121	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.7	175.9	-59.2	-176	75.8	-161.5	-6.4	110	L575 M576 Q578 D667 I670 I677 P690	L575-R679 CarbonylContact C-O 3.55Å; L575-R679 WeakPolarHBondContact CA-O 3.48Å; L575-R679 WeakPolarHBondContact CD2-O 3.18Å; M576-R679 HydrophobicContact CG-CB 4.24Å; M576-R679 WeakPolarHBondContact CG-O 3.16Å; M576-R679 PolarHBondContact N-O 2.89Å; M576-R679 PolarHBondContact O-N 3.04Å; Q578-R679 VanDerWaalsContact OE1-CD 3.29Å; D667-R679 IonicContact OD1-CZ 2.65Å; D667-R679 VanDerWaalsContact OD1-CZ 3.28Å; D667-R679 IonicContact OD1-NE 3.26Å; D667-R679 PolarHBondContact OD1-NE 3.46Å; D667-R679 IonicContact OD1-NH2 3.77Å; D667-R679 PolarHBondContact OD1-NH2 3.37Å; D667-R679 IonicContact OD2-NH2 2.92Å; D667-R679 PolarHBondContact OD2-NH2 2.77Å; I670-R679 HydrophobicContact CD1-CG 3.96Å; I677-R679 HydrophobicContact CG2-CG 4.32Å; R679-P690 HydrophobicContact CB-CB 3.9Å; R679-P690 VanDerWaalsContact NH1-CG 3.29Å
680	L	85.6	Confident	68.9	Low	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146	176.2	-73.4	166.5	0	0	0	110.9	L573 L575 F599 L664 P690 V691 F789 A799	L573-L680 HydrophobicContact CB-CD2 4.02Å; L573-L680 HydrophobicContact CD1-CD2 4.45Å; L575-L680 HydrophobicContact CD2-CD2 3.9Å; L575-L680 HydrophobicContact CD2-CG 4.19Å; F599-L680 HydrophobicContact CB-CD2 3.64Å; F599-L680 HydrophobicContact CD1-CD2 4.42Å; F599-L680 HydrophobicContact CG-CD2 4Å; L664-L680 HydrophobicContact CD1-CD1 3.63Å; L664-L680 HydrophobicContact CD2-CD1 4.01Å; L664-L680 HydrophobicContact CD2-CG 4.1Å; L680-P690 CarbonylContact O-C 3.53Å; L680-P690 VanDerWaalsContact O-CA 3.23Å; L680-P690 WeakPolarHBondContact O-CA 3.46Å; L680-V691 HydrophobicContact CB-CB 3.91Å; L680-V691 HydrophobicContact CB-CG2 3.69Å; L680-V691 PolarHBondContact O-N 2.79Å; L680-F789 HydrophobicContact CD1-CD1 4.34Å; L680-F789 HydrophobicContact CD1-CE1 3.57Å; L680-F789 HydrophobicContact CD1-CZ 4.37Å; L680-A799 HydrophobicContact CD1-CB 3.96Å
681	R	80.5	Confident	69.4	Low	16 Å²	16	56 Å²	56	6%	0.06	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-87.8	137.5	171.4	-54.9	-166.3	-162.6	-168.8	3.8	111.7	Y567 L574 L575 M576 N683 L685	Y567-R681 WeakPolarHBondContact CE2-O 3.42Å; Y567-R681 PolarHBondContact OH-O 2.8Å; L574-R681 HydrophobicContact CB-CB 4.3Å; L574-R681 HydrophobicContact CB-CG 4.01Å; L574-R681 PolarHBondContact O-N 2.89Å; L575-R681 PolarHBondContact O-NE 2.81Å; L575-R681 PolarHBondContact O-NH2 2.91Å; M576-R681 HydrophobicContact CB-CG 4.45Å; M576-R681 HydrophobicContact CE-CB 4.39Å; M576-R681 HydrophobicContact CE-CG 3.84Å; R681-N683 VanDerWaalsContact C-N 3.32Å; R681-N683 WeakPolarHBondContact CB-O 3.24Å; R681-N683 PolarHBondContact O-N 2.99Å; R681-L685 PolarHBondContact NH1-O 2.75Å
682	M	75.8	Confident	70.2	Confident	44 Å²	44	55 Å²	55	22%	0.217	26%	0.264	C	S	.	.	S	Bend	trans	-62.4	-35.4	176.2	-175.1	167.4	-164.5	0	0	113.1	Y567 T689 V691 S795 I796	Y567-M682 WeakPolarHBondContact CE2-O 3.42Å; M682-T689 HydrophobicContact CB-CG2 4.22Å; M682-T689 WeakPolarHBondContact CB-O 3.32Å; M682-T689 PolarHBondContact N-O 3.04Å; M682-T689 VanDerWaalsContact N-O 3.13Å; M682-T689 HydrophobicContact SD-CG2 3.52Å; M682-T689 VanDerWaalsContact SD-CG2 3.52Å; M682-V691 HydrophobicContact CB-CG2 4.5Å; M682-S795 WeakPolarHBondContact CG-OG 3.25Å; M682-S795 WeakPolarHBondContact O-CA 3.4Å; M682-S795 PolarHBondContact O-OG 2.87Å; M682-I796 WeakPolarHBondContact CG-O 3.35Å; M682-I796 PolarHBondContact O-N 3.4Å
683	N	75.6	Confident	71.3	Confident	18 Å²	18	50.1 Å²	50.1	10%	0.096	25%	0.247	C	C	.	.	S	Bend	trans	-140.4	-173	178.6	70	44.6	0	0	0	111.7	R681 L685	R681-N683 VanDerWaalsContact C-N 3.32Å; R681-N683 WeakPolarHBondContact CB-O 3.24Å; R681-N683 PolarHBondContact O-N 2.99Å; N683-L685 WeakPolarHBondContact OD1-CB 3.37Å; N683-L685 PolarHBondContact OD1-N 2.84Å
684	R	71.7	Confident	72.2	Confident	85 Å²	85	48.6 Å²	48.6	32%	0.321	24%	0.242	S	C	.	.	S	Bend	trans	-85	-5.7	-177.7	-54.7	-179.3	67.4	151.4	18.5	115.7	R565 S566 Y567 D571	R565-R684 HydrophobicContact CG-CB 4.41Å; R565-R684 VanDerWaalsContact O-CB 3.23Å; R565-R684 WeakPolarHBondContact O-CB 3.41Å; R565-R684 PolarHBondContact O-N 2.66Å; S566-R684 WeakPolarHBondContact O-CD 3.29Å; S566-R684 WeakPolarHBondContact O-CG 3.49Å; Y567-R684 HydrophobicContact CD1-CG 3.77Å; Y567-R684 HydrophobicContact CE1-CG 4.23Å; Y567-R684 HydrophobicContact CG-CG 4.09Å; D571-R684 IonicContact OD1-CZ 2.63Å; D571-R684 IonicContact OD1-NE 3.28Å; D571-R684 IonicContact OD1-NH1 2.72Å; D571-R684 PolarHBondContact OD1-NH1 2.83Å; D571-R684 IonicContact OD1-NH2 2.86Å; D571-R684 PolarHBondContact OD1-NH2 2.96Å; D571-R684 VanDerWaalsContact OD2-CD 3.32Å; D571-R684 WeakPolarHBondContact OD2-CD 3.3Å; D571-R684 IonicContact OD2-CZ 3.15Å; D571-R684 IonicContact OD2-NE 3.23Å; D571-R684 PolarHBondContact OD2-NE 2.81Å; D571-R684 IonicContact OD2-NH1 2.83Å; D571-R684 PolarHBondContact OD2-NH1 2.86Å; D571-R684 IonicContact OD2-NH2 2.7Å
685	L	61	Low	73.6	Confident	38 Å²	38	46.2 Å²	46.2	20%	0.199	23%	0.225	C	C	.	.	S	Bend	trans	-82	-172.9	-172.2	-71.6	-178.5	0	0	0	112.6	K563 R565 R681 N683 D687	K563-L685 WeakPolarHBondContact O-CD1 3.41Å; R565-L685 HydrophobicContact CB-CD1 4.22Å; R565-L685 HydrophobicContact CB-CD2 3.53Å; R565-L685 HydrophobicContact CB-CG 3.65Å; R565-L685 VanDerWaalsContact N-CD1 3.3Å; R681-L685 PolarHBondContact NH1-O 2.75Å; N683-L685 WeakPolarHBondContact OD1-CB 3.37Å; N683-L685 PolarHBondContact OD1-N 2.84Å; L685-D687 VanDerWaalsContact C-N 3.27Å; L685-D687 WeakPolarHBondContact CB-OD2 3.31Å; L685-D687 WeakPolarHBondContact CD1-OD2 3.41Å
686	R	50.6	Low	74.5	Confident	213 Å²	213	43.7 Å²	43.7	80%	0.804	22%	0.215	S	C	*	.	S	Bend	trans	-86.9	3.1	169.7	-62.3	-178.6	179.1	-122.1	1.4	112.3	D688	R686-D688 PolarHBondContact O-N 2.83Å
687	D	52	Low	75.5	Confident	69 Å²	69	40.1 Å²	40.1	37%	0.369	19%	0.191	S	C	.	.			trans	-69.5	127.2	-179.5	-55.3	-58.9	0	0	0	109	L685 T689	L685-D687 VanDerWaalsContact C-N 3.27Å; L685-D687 WeakPolarHBondContact CB-OD2 3.31Å; L685-D687 WeakPolarHBondContact CD1-OD2 3.41Å; D687-T689 PolarHBondContact O-N 3.4Å
688	D	58.1	Low	76.1	Confident	73 Å²	73	40.7 Å²	40.7	39%	0.39	19%	0.194	S	C	.	.			trans	-80.1	42.4	-164.6	-79.2	-32.8	0	0	0	112.8	I590 V592 R686 P690	I590-D688 HydrophobicContact CB-CB 4.25Å; I590-D688 WeakPolarHBondContact CB-OD1 3.47Å; I590-D688 HydrophobicContact CD1-CB 3.66Å; I590-D688 HydrophobicContact CG1-CB 3.89Å; V592-D688 VanDerWaalsContact CG2-OD1 3.24Å; V592-D688 WeakPolarHBondContact CG2-OD1 3.07Å; R686-D688 PolarHBondContact O-N 2.83Å; D688-P690 VanDerWaalsContact O-CD 3.25Å; D688-P690 WeakPolarHBondContact O-CD 3.15Å
689	T	67.1	Low	76.3	Confident	64 Å²	64	41.3 Å²	41.3	39%	0.393	20%	0.2	S	C	.	.			trans	-100.2	103.3	-179.4	-41.7	0	0	0	0	111.2	M576 M682 D687	M576-T689 WeakPolarHBondContact CE-O 3.48Å; M682-T689 HydrophobicContact CB-CG2 4.22Å; M682-T689 WeakPolarHBondContact CB-O 3.32Å; M682-T689 PolarHBondContact N-O 3.04Å; M682-T689 VanDerWaalsContact N-O 3.13Å; M682-T689 HydrophobicContact SD-CG2 3.52Å; M682-T689 VanDerWaalsContact SD-CG2 3.52Å; D687-T689 PolarHBondContact O-N 3.4Å
690	P	76.3	Confident	76.5	Confident	26 Å²	26	40.6 Å²	40.6	17%	0.169	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-73.1	148.8	172.5	29.7	-33	0	0	0	111.1	M576 R679 L680 D688	M576-P690 HydrophobicContact SD-CB 3.95Å; M576-P690 HydrophobicContact SD-CG 4.46Å; R679-P690 HydrophobicContact CB-CB 3.9Å; R679-P690 VanDerWaalsContact NH1-CG 3.29Å; L680-P690 CarbonylContact O-C 3.53Å; L680-P690 VanDerWaalsContact O-CA 3.23Å; L680-P690 WeakPolarHBondContact O-CA 3.46Å; D688-P690 VanDerWaalsContact O-CD 3.25Å; D688-P690 WeakPolarHBondContact O-CD 3.15Å
691	V	80.9	Confident	76.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66.1	133.5	168.1	-179.1	0	0	0	0	109.1	L680 M682 V693 I796 A799	L680-V691 HydrophobicContact CB-CB 3.91Å; L680-V691 HydrophobicContact CB-CG2 3.69Å; L680-V691 PolarHBondContact O-N 2.79Å; M682-V691 HydrophobicContact CB-CG2 4.5Å; V691-V693 VanDerWaalsContact O-CG2 3.31Å; V691-V693 WeakPolarHBondContact O-CG2 3.43Å; V691-V693 PolarHBondContact O-N 2.81Å; V691-I796 HydrophobicContact CB-CG2 4.46Å; V691-I796 HydrophobicContact CG1-CB 4.48Å; V691-I796 HydrophobicContact CG1-CG2 3.64Å; V691-I796 HydrophobicContact CG2-CB 3.92Å; V691-I796 HydrophobicContact CG2-CG2 3.87Å; V691-A799 HydrophobicContact CG1-CB 3.92Å
692	P	76.1	Confident	76.1	Confident	44 Å²	44	49.6 Å²	49.6	29%	0.286	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-60.1	126	168.4	-24	33.9	0	0	0	112.3	D667 Q797 Q798 A799	D667-P692 VanDerWaalsContact OD2-CA 3.28Å; D667-P692 WeakPolarHBondContact OD2-CA 3.13Å; P692-Q797 WeakPolarHBondContact CD-O 3.36Å; P692-Q798 HydrophobicContact CB-CG 4.46Å; P692-Q798 WeakPolarHBondContact O-CA 3.13Å; P692-Q798 WeakPolarHBondContact O-CG 3.17Å; P692-A799 PolarHBondContact O-N 3.01Å
693	V	83.7	Confident	75.9	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128	-175.6	-165.5	0	0	0	0	112.2	L664 I665 D667 V691 V695 A799	L664-V693 HydrophobicContact CB-CG1 3.99Å; L664-V693 HydrophobicContact CD1-CG1 4.32Å; I665-V693 WeakPolarHBondContact O-CB 3.43Å; I665-V693 WeakPolarHBondContact O-CG1 2.94Å; D667-V693 PolarHBondContact N-O 2.86Å; D667-V693 PolarHBondContact OD2-N 3.08Å; V691-V693 VanDerWaalsContact O-CG2 3.31Å; V691-V693 WeakPolarHBondContact O-CG2 3.43Å; V691-V693 PolarHBondContact O-N 2.81Å; V693-V695 HydrophobicContact CG1-CG2 3.81Å; V693-A799 WeakPolarHBondContact CA-O 3.36Å; V693-A799 HydrophobicContact CG1-CB 4.38Å; V693-A799 HydrophobicContact CG2-CB 4.38Å
694	K	79.1	Confident	76	Confident	43 Å²	43	52.7 Å²	52.7	19%	0.187	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.1	173.6	175.9	176.8	175.3	178.7	0	110	D545 D666 A799 L800 A801	D545-K694 IonicContact OD2-NZ 2.74Å; D545-K694 PolarHBondContact OD2-NZ 3.4Å; D666-K694 WeakPolarHBondContact OD2-CA 3.12Å; K694-A799 PolarHBondContact N-O 3.07Å; K694-L800 HydrophobicContact CB-CD2 3.83Å; K694-L800 HydrophobicContact CD-CD2 4.15Å; K694-L800 HydrophobicContact CG-CD2 4.32Å; K694-L800 WeakPolarHBondContact O-CA 3.33Å; K694-A801 PolarHBondContact O-N 3.16Å
695	V	88.9	Confident	76.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	108.7	-171.5	-170.6	0	0	0	0	113.2	D666 V693 Y697 H762 A801 V803	D666-V695 HydrophobicContact CB-CB 4.11Å; D666-V695 HydrophobicContact CB-CG2 4.23Å; D666-V695 PolarHBondContact OD2-N 2.87Å; V693-V695 HydrophobicContact CG1-CG2 3.81Å; V695-Y697 HydrophobicContact CB-CD2 4.48Å; V695-Y697 HydrophobicContact CB-CE2 3.84Å; V695-Y697 HydrophobicContact CG1-CD2 4Å; V695-Y697 HydrophobicContact CG1-CE1 4.12Å; V695-Y697 HydrophobicContact CG1-CE2 3.45Å; V695-Y697 VanDerWaalsContact CG1-CE2 3.45Å; V695-Y697 WeakPolarHBondContact O-CD2 3.43Å; V695-H762 PolarHBondContact O-CE1 2.85Å; V695-A801 WeakPolarHBondContact CA-O 3.07Å; V695-A801 HydrophobicContact CG1-CB 4.1Å; V695-A801 HydrophobicContact CG2-CB 4.16Å; V695-V803 HydrophobicContact CG1-CG2 3.83Å
696	D	86.3	Confident	76.6	Confident	42 Å²	42	54.5 Å²	54.5	23%	0.225	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121	171.6	-59.4	-40.1	0	0	0	109.9	L698 A801 Q802 V803	D696-L698 HydrophobicContact CB-CG 4.44Å; D696-A801 PolarHBondContact N-O 2.87Å; D696-Q802 HydrophobicContact CB-CG 4.17Å; D696-Q802 WeakPolarHBondContact O-CA 3.35Å; D696-Q802 PolarHBondContact OD2-NE2 2.8Å; D696-V803 PolarHBondContact O-N 2.89Å
697	Y	90.7	Very high	77.6	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.3	171	-66.2	-90.2	0	0	0	110.9	A660 I665 V695 C759 W761 H762 P768 V803	A660-Y697 HydrophobicContact CB-CE1 4.12Å; I665-Y697 WeakPolarHBondContact CD1-OH 3.43Å; V695-Y697 HydrophobicContact CB-CD2 4.48Å; V695-Y697 HydrophobicContact CB-CE2 3.84Å; V695-Y697 HydrophobicContact CG1-CD2 4Å; V695-Y697 HydrophobicContact CG1-CE1 4.12Å; V695-Y697 HydrophobicContact CG1-CE2 3.45Å; V695-Y697 VanDerWaalsContact CG1-CE2 3.45Å; V695-Y697 WeakPolarHBondContact O-CD2 3.43Å; Y697-C759 PolarHBondContact O-N 2.86Å; Y697-W761 VanDerWaalsContact CB-CH2 3.4Å; Y697-W761 AromaticContact CD1-CH2 3.65Å; Y697-W761 HydrophobicContact CD1-CH2 3.65Å; Y697-W761 HydrophobicContact CD1-CZ3 4.2Å; Y697-W761 HydrophobicContact CD2-CH2 4.43Å; Y697-W761 HydrophobicContact CD2-CZ3 4.22Å; Y697-W761 AromaticContact CG-CH2 3.57Å; Y697-W761 HydrophobicContact CG-CH2 3.57Å; Y697-W761 AromaticContact CG-CZ3 3.78Å; Y697-W761 HydrophobicContact CG-CZ3 3.78Å; Y697-H762 AromaticContact CD2-CE1 3.98Å; Y697-H762 AromaticContact CD2-ND1 3.47Å; Y697-H762 WeakPolarHBondContact CD2-ND1 3.49Å; Y697-P768 HydrophobicContact CD1-CB 3.94Å; Y697-P768 HydrophobicContact CE1-CB 3.56Å; Y697-P768 HydrophobicContact CE1-CG 3.65Å; Y697-V803 WeakPolarHBondContact CA-O 3.46Å; Y697-V803 HydrophobicContact CD1-CB 3.73Å; Y697-V803 HydrophobicContact CD1-CG1 3.96Å; Y697-V803 HydrophobicContact CD1-CG2 4.43Å; Y697-V803 HydrophobicContact CE1-CB 3.85Å; Y697-V803 HydrophobicContact CE1-CG1 3.99Å; Y697-V803 HydrophobicContact CE1-CG2 4.1Å
698	L	90	Very high	78.9	Confident	13 Å²	13	42.9 Å²	42.9	7%	0.068	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.2	-168.3	-62	176.4	0	0	0	110.3	D696 P756 Q802 V803 Y804 V805	D696-L698 HydrophobicContact CB-CG 4.44Å; L698-P756 HydrophobicContact CB-CB 4.06Å; L698-P756 HydrophobicContact CD1-CB 4.03Å; L698-P756 HydrophobicContact CD1-CG 4.16Å; L698-P756 HydrophobicContact CD2-CB 4.39Å; L698-P756 HydrophobicContact CG-CB 4.39Å; L698-Q802 HydrophobicContact CD1-CB 4.18Å; L698-V803 PolarHBondContact N-O 2.76Å; L698-Y804 HydrophobicContact CB-CD1 4.03Å; L698-Y804 HydrophobicContact CB-CE1 4.35Å; L698-Y804 HydrophobicContact CB-CG 4.27Å; L698-Y804 HydrophobicContact CD1-CD1 4.2Å; L698-Y804 HydrophobicContact CD1-CD2 4.39Å; L698-Y804 HydrophobicContact CD1-CE1 3.74Å; L698-Y804 HydrophobicContact CD1-CE2 3.93Å; L698-Y804 CarbonylContact O-C 3.6Å; L698-Y804 VanDerWaalsContact O-CA 3.27Å; L698-Y804 WeakPolarHBondContact O-CA 3.49Å; L698-V805 PolarHBondContact O-N 3.1Å
699	C	89.1	Confident	79.5	Confident	33 Å²	33	41.5 Å²	41.5	22%	0.223	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.8	-176.1	-85.9	0	0	0	0	110.7	T757 C759 V805	C699-T757 PolarHBondContact N-O 3.3Å; C699-C759 WeakPolarHBondContact CA-SG 3.32Å; C699-C759 HydrophobicContact CB-CB 4.07Å; C699-C759 WeakPolarHBondContact CB-SG 3.07Å; C699-C759 PolarHBondContact N-SG 2.8Å; C699-C759 WeakPolarHBondContact SG-CA 3.37Å; C699-C759 WeakPolarHBondContact SG-CB 3.05Å; C699-C759 CovalentContact SG-SG 2.05Å; C699-C759 PolarHBondContact SG-SG 2.79Å; C699-V805 WeakPolarHBondContact CA-O 3.2Å
700	L	88.1	Confident	78.9	Confident	18 Å²	18	41.8 Å²	41.8	9%	0.094	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-79.7	142.4	179.1	-72	166.1	0	0	0	111.6	E704 F708 L754 L783 Y804 V805 A806	L700-E704 HydrophobicContact CD2-CB 4.14Å; L700-F708 HydrophobicContact CD1-CD2 4.2Å; L700-F708 HydrophobicContact CD1-CE2 3.64Å; L700-F708 HydrophobicContact CD1-CZ 4.05Å; L700-F708 HydrophobicContact CD2-CE2 4.16Å; L700-L754 HydrophobicContact CD2-CD1 4.35Å; L700-L754 HydrophobicContact CD2-CD2 3.98Å; L700-L783 HydrophobicContact CD1-CB 3.88Å; L700-L783 HydrophobicContact CD1-CD1 3.8Å; L700-L783 HydrophobicContact CD1-CG 4.42Å; L700-Y804 HydrophobicContact CD2-CD1 4.07Å; L700-Y804 HydrophobicContact CG-CD1 4.3Å; L700-V805 PolarHBondContact N-O 3.38Å; L700-A806 HydrophobicContact CB-CB 4.15Å; L700-A806 HydrophobicContact CD1-CB 4.44Å
701	K	82.1	Confident	77.5	Confident	83 Å²	83	44 Å²	44	36%	0.361	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-89.1	157.6	179.4	-64	152.4	-169.2	146.2	0	111.3	N703 E704 L705 V755 T757	K701-N703 WeakPolarHBondContact CB-OD1 3.02Å; K701-N703 PolarHBondContact O-N 2.85Å; K701-N703 VanDerWaalsContact O-N 3.07Å; K701-E704 HydrophobicContact CB-CG 4.38Å; K701-E704 WeakPolarHBondContact CB-OE2 3.45Å; K701-E704 PolarHBondContact N-OE2 3.05Å; K701-E704 WeakPolarHBondContact O-CA 3.35Å; K701-E704 WeakPolarHBondContact O-CB 3.03Å; K701-E704 PolarHBondContact O-N 2.74Å; K701-L705 PolarHBondContact O-N 3.45Å; K701-V755 PolarHBondContact NZ-O 2.99Å; K701-T757 WeakPolarHBondContact CE-OG1 3.48Å; K701-T757 PolarHBondContact NZ-OG1 2.83Å
702	Q	76.2	Confident	75.3	Confident	121 Å²	121	48.2 Å²	48.2	57%	0.565	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.4	-175.5	-163.3	63.9	25.1	0	0	114.2	L705	Q702-L705 WeakPolarHBondContact O-CB 3.04Å
703	N	71.3	Confident	73.2	Confident	114 Å²	114	52.4 Å²	52.4	61%	0.61	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-25.5	173.6	62.7	-55.2	0	0	0	113.3	K701 L705	K701-N703 WeakPolarHBondContact CB-OD1 3.02Å; K701-N703 PolarHBondContact O-N 2.85Å; K701-N703 VanDerWaalsContact O-N 3.07Å; N703-L705 VanDerWaalsContact C-N 3.34Å
704	E	77.1	Confident	70.8	Confident	14 Å²	14	56 Å²	56	7%	0.065	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-77.9	-22.5	177.2	-65.7	176	128.8	0	0	111.8	L700 K701 Q706 N707 L754 V755	L700-E704 HydrophobicContact CD2-CB 4.14Å; K701-E704 HydrophobicContact CB-CG 4.38Å; K701-E704 WeakPolarHBondContact CB-OE2 3.45Å; K701-E704 PolarHBondContact N-OE2 3.05Å; K701-E704 WeakPolarHBondContact O-CA 3.35Å; K701-E704 WeakPolarHBondContact O-CB 3.03Å; K701-E704 PolarHBondContact O-N 2.74Å; E704-Q706 PolarHBondContact O-N 2.81Å; E704-Q706 VanDerWaalsContact O-N 3.1Å; E704-N707 WeakPolarHBondContact O-CB 3.34Å; E704-N707 PolarHBondContact O-N 2.91Å; E704-L754 HydrophobicContact CB-CD2 3.66Å; E704-L754 HydrophobicContact CG-CD2 3.86Å; E704-V755 PolarHBondContact OE1-N 2.78Å
705	L	77.1	Confident	68.3	Low	8 Å²	8	60.8 Å²	60.8	4%	0.042	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-54.5	-26	174.2	-123.4	67.7	0	0	0	113.9	K701 Q702 N703 N707 F708 T709 L783 A806 L808	K701-L705 PolarHBondContact O-N 3.45Å; Q702-L705 WeakPolarHBondContact O-CB 3.04Å; N703-L705 VanDerWaalsContact C-N 3.34Å; L705-N707 PolarHBondContact O-N 3.47Å; L705-F708 PolarHBondContact O-N 2.63Å; L705-T709 PolarHBondContact O-N 2.86Å; L705-T709 VanDerWaalsContact O-N 3.13Å; L705-T709 PolarHBondContact O-OG1 3.13Å; L705-L783 HydrophobicContact CD1-CD1 3.87Å; L705-A806 HydrophobicContact CD1-CB 3.73Å; L705-L808 HydrophobicContact CD1-CD2 3.97Å; L705-L808 HydrophobicContact CD2-CD2 3.89Å; L705-L808 HydrophobicContact CG-CD2 4.05Å
706	Q	68.6	Low	65.4	Low	152 Å²	152	65 Å²	65	71%	0.71	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.2	-25.3	175.9	-65.4	-173.8	-12.2	0	0	113	E704 F708	E704-Q706 PolarHBondContact O-N 2.81Å; E704-Q706 VanDerWaalsContact O-N 3.1Å; Q706-F708 PolarHBondContact O-N 2.85Å
707	N	71.1	Confident	62.6	Low	38 Å²	38	67 Å²	67	20%	0.203	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-74.4	-12	174.4	-69.5	-13.7	0	0	0	112.8	R625 E704 L705 N752 L754	R625-N707 PolarHBondContact NH1-O 3.41Å; R625-N707 PolarHBondContact NH2-O 2.97Å; E704-N707 WeakPolarHBondContact O-CB 3.34Å; E704-N707 PolarHBondContact O-N 2.91Å; L705-N707 PolarHBondContact O-N 3.47Å; N707-N752 PolarHBondContact ND2-O 3.2Å; N707-L754 WeakPolarHBondContact ND2-CD2 3.28Å
708	F	79.6	Confident	60	Low	1 Å²	1	69.9 Å²	69.9	0%	0.004	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-5.8	-173	-62.7	-83.6	0	0	0	114.4	L700 L705 Q706 L754 L783 K784 Y817 Y818 E820	L700-F708 HydrophobicContact CD1-CD2 4.2Å; L700-F708 HydrophobicContact CD1-CE2 3.64Å; L700-F708 HydrophobicContact CD1-CZ 4.05Å; L700-F708 HydrophobicContact CD2-CE2 4.16Å; L705-F708 PolarHBondContact O-N 2.63Å; Q706-F708 PolarHBondContact O-N 2.85Å; F708-L754 HydrophobicContact CE2-CD1 4.1Å; F708-L754 HydrophobicContact CE2-CD2 4.27Å; F708-L754 HydrophobicContact CZ-CD1 3.99Å; F708-L783 HydrophobicContact CB-CD1 3.92Å; F708-L783 HydrophobicContact CB-CD2 4.43Å; F708-L783 HydrophobicContact CD1-CB 4.03Å; F708-L783 HydrophobicContact CD1-CD1 4.43Å; F708-L783 HydrophobicContact CD2-CD1 3.99Å; F708-L783 HydrophobicContact CE1-CB 4.17Å; F708-L783 WeakPolarHBondContact CE1-O 3.38Å; F708-L783 HydrophobicContact CG-CB 4.29Å; F708-L783 HydrophobicContact CG-CD1 3.87Å; F708-K784 HydrophobicContact CE1-CB 4.23Å; F708-K784 HydrophobicContact CZ-CB 4.37Å; F708-Y817 CarbonylContact O-C 3.53Å; F708-Y817 VanDerWaalsContact O-CA 3.32Å; F708-Y817 WeakPolarHBondContact O-CA 3.42Å; F708-Y818 WeakPolarHBondContact CD1-O 3.43Å; F708-Y818 PolarHBondContact O-N 2.93Å; F708-E820 HydrophobicContact CE1-CB 4.44Å; F708-E820 HydrophobicContact CE1-CG 4.24Å
709	T	70.9	Confident	57.2	Low	44 Å²	44	74 Å²	74	27%	0.27	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-95.2	148.3	170.9	43.3	0	0	0	0	111.6	L705 S711 Y817	L705-T709 PolarHBondContact O-N 2.86Å; L705-T709 VanDerWaalsContact O-N 3.13Å; L705-T709 PolarHBondContact O-OG1 3.13Å; T709-S711 PolarHBondContact O-N 3.43Å; T709-Y817 HydrophobicContact CG2-CD1 3.59Å; T709-Y817 HydrophobicContact CG2-CE1 3.34Å
710	M	54	Low	54.4	Low	70 Å²	70	79.9 Å²	79.9	35%	0.345	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-59.2	124.4	163.1	-90.9	-62.9	-82.8	0	0	110.5	S712 T816 Y818 D885	M710-S712 PolarHBondContact O-N 3.11Å; M710-T816 HydrophobicContact CG-CG2 4.34Å; M710-T816 PolarHBondContact N-O 3.33Å; M710-Y818 HydrophobicContact CG-CE2 3.66Å; M710-Y818 WeakPolarHBondContact CG-OH 3.48Å; M710-Y818 HydrophobicContact SD-CE2 3.69Å; M710-Y818 PolarHBondContact SD-OH 2.82Å; M710-D885 HydrophobicContact SD-CB 4.18Å
711	S	46.1	Very low	51.8	Low	71 Å²	71	82.8 Å²	82.8	50%	0.497	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-68.1	117.7	170.5	48.7	0	0	0	0	108.9	T709 Q713	T709-S711 PolarHBondContact O-N 3.43Å; S711-Q713 PolarHBondContact O-N 3.16Å
712	S	36.1	Very low	49.4	Very low	90 Å²	90	85.9 Å²	85.9	63%	0.629	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-71.8	24.3	-177.4	52.6	0	0	0	0	114.5	M710 S714 N715	M710-S712 PolarHBondContact O-N 3.11Å; S712-S714 PolarHBondContact O-N 3.31Å; S712-N715 WeakPolarHBondContact O-CB 3.35Å; S712-N715 PolarHBondContact O-N 2.9Å
713	Q	32.3	Very low	47.4	Very low	132 Å²	132	87.3 Å²	87.3	62%	0.617	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-67.4	-10.9	165.7	-71.4	-175.4	-33.2	0	0	112.2	S711 N715 I716	S711-Q713 PolarHBondContact O-N 3.16Å; Q713-N715 PolarHBondContact O-N 3.15Å; Q713-I716 HydrophobicContact CB-CD1 4.5Å; Q713-I716 WeakPolarHBondContact O-CB 3.3Å; Q713-I716 WeakPolarHBondContact O-CD1 3.29Å; Q713-I716 WeakPolarHBondContact O-CG1 3.39Å; Q713-I716 PolarHBondContact O-N 3.34Å
714	S	32.3	Very low	45.8	Very low	84 Å²	84	84.1 Å²	84.1	59%	0.587	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-63.7	-10.5	162.8	53.6	0	0	0	0	114.5	S712 I716	S712-S714 PolarHBondContact O-N 3.31Å; S714-I716 VanDerWaalsContact C-N 3.31Å
715	N	27.1	Very low	43.9	Very low	144 Å²	144	85.6 Å²	85.6	77%	0.77	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-89.1	15.2	167.7	-78	-13.3	0	0	0	113.5	S712 Q713 N717	S712-N715 WeakPolarHBondContact O-CB 3.35Å; S712-N715 PolarHBondContact O-N 2.9Å; Q713-N715 PolarHBondContact O-N 3.15Å; N715-N717 PolarHBondContact O-N 3.19Å
716	I	28.3	Very low	42.4	Very low	88 Å²	88	86.1 Å²	86.1	45%	0.451	47%	0.473	S	S	.	.	S	Bend	trans	-60	129.1	155.2	-69.1	164.5	0	0	0	106.9	Q713 S714 V718 I721	Q713-I716 HydrophobicContact CB-CD1 4.5Å; Q713-I716 WeakPolarHBondContact O-CB 3.3Å; Q713-I716 WeakPolarHBondContact O-CD1 3.29Å; Q713-I716 WeakPolarHBondContact O-CG1 3.39Å; Q713-I716 PolarHBondContact O-N 3.34Å; S714-I716 VanDerWaalsContact C-N 3.31Å; I716-V718 PolarHBondContact O-N 2.96Å; I716-V718 VanDerWaalsContact O-N 3.16Å; I716-I721 HydrophobicContact CG2-CG1 4.35Å
717	N	27.5	Very low	41.8	Very low	84 Å²	84	79 Å²	79	45%	0.449	44%	0.44	S	S	.	.			trans	-57.4	124.1	-179.8	-177.5	16.9	0	0	0	110	N715 D719 Q720	N715-N717 PolarHBondContact O-N 3.19Å; N717-D719 PolarHBondContact ND2-OD2 2.82Å; N717-D719 PolarHBondContact O-N 2.7Å; N717-D719 VanDerWaalsContact O-N 3.11Å; N717-D719 PolarHBondContact OD1-N 2.83Å; N717-D719 PolarHBondContact OD1-OD2 2.83Å; N717-Q720 WeakPolarHBondContact O-CB 3.37Å; N717-Q720 PolarHBondContact O-N 2.83Å
718	V	35.2	Very low	41.1	Very low	66 Å²	66	79.1 Å²	79.1	40%	0.4	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31.6	-177	-174.9	0	0	0	0	111.2	I716 Q720 I721 N1037	I716-V718 PolarHBondContact O-N 2.96Å; I716-V718 VanDerWaalsContact O-N 3.16Å; V718-Q720 PolarHBondContact O-N 2.84Å; V718-Q720 VanDerWaalsContact O-N 3.13Å; V718-I721 WeakPolarHBondContact O-CA 3.29Å; V718-I721 WeakPolarHBondContact O-CB 3.31Å; V718-I721 PolarHBondContact O-N 2.88Å; V718-N1037 HydrophobicContact CG1-CB 4.24Å
719	D	31.9	Very low	40.2	Very low	98 Å²	98	81 Å²	81	52%	0.524	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.3	175.1	-46.9	-32.4	0	0	0	113.8	N717 N722	N717-D719 PolarHBondContact ND2-OD2 2.82Å; N717-D719 PolarHBondContact O-N 2.7Å; N717-D719 VanDerWaalsContact O-N 3.11Å; N717-D719 PolarHBondContact OD1-N 2.83Å; N717-D719 PolarHBondContact OD1-OD2 2.83Å; D719-N722 PolarHBondContact O-ND2 2.62Å
720	Q	29.7	Very low	40	Very low	157 Å²	157	83.4 Å²	83.4	73%	0.734	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-85.7	-12.9	174.2	-66.2	-163.2	-22.5	0	0	113	N717 V718 N722	N717-Q720 WeakPolarHBondContact O-CB 3.37Å; N717-Q720 PolarHBondContact O-N 2.83Å; V718-Q720 PolarHBondContact O-N 2.84Å; V718-Q720 VanDerWaalsContact O-N 3.13Å; Q720-N722 PolarHBondContact O-N 3.23Å
721	I	33.3	Very low	41	Very low	79 Å²	79	82 Å²	82	41%	0.405	46%	0.457	S	S	.	.			trans	-81.4	45.6	172.8	-45.9	-177.1	0	0	0	109.8	I716 V718 Q723	I716-I721 HydrophobicContact CG2-CG1 4.35Å; V718-I721 WeakPolarHBondContact O-CA 3.29Å; V718-I721 WeakPolarHBondContact O-CB 3.31Å; V718-I721 PolarHBondContact O-N 2.88Å; I721-Q723 WeakPolarHBondContact CG2-O 3.39Å; I721-Q723 CarbonylContact O-C 3.53Å; I721-Q723 PolarHBondContact O-N 2.63Å
722	N	31.9	Very low	42.5	Very low	149 Å²	149	83.1 Å²	83.1	80%	0.797	46%	0.461	S	S	*	.			trans	-69.6	-6.7	165.2	-94.3	-78.3	0	0	0	112.1	D719 Q720	D719-N722 PolarHBondContact O-ND2 2.62Å; Q720-N722 PolarHBondContact O-N 3.23Å
723	Q	34.6	Very low	44.6	Very low	151 Å²	151	81.6 Å²	81.6	71%	0.706	44%	0.442	S	S	*	.	S	Bend	trans	-98.5	97.5	157.4	-65.7	175.8	-1.9	0	0	107.1	I721 G725	I721-Q723 WeakPolarHBondContact CG2-O 3.39Å; I721-Q723 CarbonylContact O-C 3.53Å; I721-Q723 PolarHBondContact O-N 2.63Å; Q723-G725 PolarHBondContact O-N 2.91Å
724	T	36.7	Very low	46.9	Very low	47 Å²	47	79.2 Å²	79.2	29%	0.288	43%	0.433	S	S	.	.			trans	-37.9	128.1	-179.4	42.4	0	0	0	0	112.3	F726 D914 K920	T724-F726 VanDerWaalsContact C-N 3.25Å; T724-F726 VanDerWaalsContact O-CD2 3.29Å; T724-F726 WeakPolarHBondContact O-CD2 3.37Å; T724-F726 PolarHBondContact O-N 3.18Å; T724-F726 WeakPolarHBondContact OG1-CD2 3.49Å; T724-D914 VanDerWaalsContact CG2-OD1 3.26Å; T724-D914 WeakPolarHBondContact CG2-OD1 3.43Å; T724-K920 PolarHBondContact OG1-NZ 2.83Å
725	G	37.8	Very low	48.9	Very low	45 Å²	45	78.7 Å²	78.7	46%	0.464	43%	0.434	S	S	.	.	S	Bend	trans	-64.1	69.9	-165.9	0	0	0	0	0	115.6	Q723	Q723-G725 PolarHBondContact O-N 2.91Å
726	F	44.6	Very low	51.3	Low	18 Å²	18	78.5 Å²	78.5	8%	0.079	44%	0.438	C	S	.	.			trans	-111.8	141.4	176.5	-69.9	-70.2	0	0	0	109.7	T724 L910 L921 L924 I925	T724-F726 VanDerWaalsContact C-N 3.25Å; T724-F726 VanDerWaalsContact O-CD2 3.29Å; T724-F726 WeakPolarHBondContact O-CD2 3.37Å; T724-F726 PolarHBondContact O-N 3.18Å; T724-F726 WeakPolarHBondContact OG1-CD2 3.49Å; F726-L910 HydrophobicContact CE1-CD2 3.7Å; F726-L910 HydrophobicContact CZ-CD2 3.52Å; F726-L921 HydrophobicContact CE1-CD1 4.49Å; F726-L921 HydrophobicContact CZ-CD1 3.95Å; F726-L924 HydrophobicContact CD2-CD1 3.95Å; F726-L924 HydrophobicContact CD2-CD2 4.12Å; F726-L924 HydrophobicContact CE2-CD1 3.61Å; F726-L924 HydrophobicContact CG-CD2 4.32Å; F726-L924 HydrophobicContact CZ-CD1 4.1Å; F726-I925 HydrophobicContact CE1-CD1 4.2Å
727	F	56.4	Low	53.8	Low	3 Å²	3	77 Å²	77	1%	0.013	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	18.3	112.5	155.9	-23	-60	0	0	0	115.3	H729 C888 V908 I925 R928	F727-H729 VanDerWaalsContact O-CA 3.24Å; F727-H729 WeakPolarHBondContact O-CA 3.28Å; F727-H729 WeakPolarHBondContact O-CB 3.46Å; F727-H729 PolarHBondContact O-N 2.72Å; F727-H729 PolarHBondContact O-ND1 3.05Å; F727-C888 HydrophobicContact CD1-CB 4.13Å; F727-C888 VanDerWaalsContact CD1-O 3.28Å; F727-C888 WeakPolarHBondContact CD1-O 3.37Å; F727-C888 HydrophobicContact CE1-CB 3.66Å; F727-V908 HydrophobicContact CE1-CG1 3.74Å; F727-V908 HydrophobicContact CZ-CG1 3.92Å; F727-I925 HydrophobicContact CZ-CD1 4.44Å; F727-R928 HydrophobicContact CD1-CB 4.42Å; F727-R928 HydrophobicContact CD1-CG 3.68Å; F727-R928 HydrophobicContact CD2-CB 3.72Å; F727-R928 HydrophobicContact CD2-CG 3.83Å; F727-R928 HydrophobicContact CE1-CB 4.12Å; F727-R928 HydrophobicContact CE1-CG 3.56Å; F727-R928 HydrophobicContact CE2-CB 3.36Å; F727-R928 HydrophobicContact CE2-CG 3.72Å; F727-R928 HydrophobicContact CG-CB 4.25Å; F727-R928 VanDerWaalsContact CG-CD 3.47Å; F727-R928 HydrophobicContact CG-CG 3.81Å; F727-R928 HydrophobicContact CZ-CB 3.56Å; F727-R928 HydrophobicContact CZ-CG 3.56Å
728	N	56	Low	56.2	Low	40 Å²	40	76.1 Å²	76.1	21%	0.214	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	65.9	-176.8	-167.7	-8.6	0	0	0	115.2	S745 N747 E889	N728-S745 WeakPolarHBondContact O-CB 3.48Å; N728-S745 PolarHBondContact O-N 2.92Å; N728-S745 WeakPolarHBondContact OD1-CB 3.38Å; N728-S745 PolarHBondContact OD1-OG 3.22Å; N728-N747 PolarHBondContact ND2-O 2.72Å; N728-E889 HydrophobicContact CB-CG 4.43Å
729	H	61.7	Low	58.4	Low	42 Å²	42	77.6 Å²	77.6	19%	0.194	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	142.1	-160.8	-62.8	62.8	0	0	0	107.6	F727 C731 C742 I743 P744	F727-H729 VanDerWaalsContact O-CA 3.24Å; F727-H729 WeakPolarHBondContact O-CA 3.28Å; F727-H729 WeakPolarHBondContact O-CB 3.46Å; F727-H729 PolarHBondContact O-N 2.72Å; F727-H729 PolarHBondContact O-ND1 3.05Å; H729-C731 PolarHBondContact O-N 2.97Å; H729-C742 HydrophobicContact CB-CB 4.32Å; H729-I743 CarbonylContact C-O 3.58Å; H729-I743 WeakPolarHBondContact CA-O 3.41Å; H729-I743 VanDerWaalsContact CB-O 3.3Å; H729-I743 WeakPolarHBondContact CB-O 3.14Å; H729-P744 VanDerWaalsContact CD2-CA 3.44Å; H729-P744 WeakPolarHBondContact CD2-CA 3.1Å
730	N	67.3	Low	60.7	Low	94 Å²	94	73.6 Å²	73.6	50%	0.503	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.2	169.2	-72.7	-32.9	0	0	0	109.8	C742 I743	N730-C742 WeakPolarHBondContact O-CA 3.07Å; N730-I743 PolarHBondContact N-O 2.67Å; N730-I743 PolarHBondContact O-N 3.43Å
731	C	73.3	Confident	63	Low	41 Å²	41	69.4 Å²	69.4	28%	0.277	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.5	179.3	-65.3	0	0	0	0	112.2	H729 T740 S741 C742 L924	H729-C731 PolarHBondContact O-N 2.97Å; C731-T740 HydrophobicContact CB-CG2 3.89Å; C731-S741 WeakPolarHBondContact CA-O 3.13Å; C731-C742 HydrophobicContact CB-CB 4.15Å; C731-C742 WeakPolarHBondContact CB-SG 3.44Å; C731-C742 WeakPolarHBondContact SG-CB 3.42Å; C731-C742 CovalentContact SG-SG 2.04Å; C731-C742 PolarHBondContact SG-SG 2.87Å; C731-L924 HydrophobicContact CB-CD2 3.74Å
732	T	79.4	Confident	64.9	Low	94 Å²	94	66.5 Å²	66.5	58%	0.577	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	123.7	179.6	-58.7	0	0	0	0	110.5	T740 S741	T732-T740 WeakPolarHBondContact O-CA 3.31Å; T732-S741 PolarHBondContact N-O 3.19Å; T732-S741 PolarHBondContact O-N 3.41Å
733	Y	79.3	Confident	66.6	Low	58 Å²	58	65.1 Å²	65.1	23%	0.227	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128	175.9	175.6	-108.7	0	0	0	111.6	A735 K920 S923	Y733-A735 HydrophobicContact CD1-CB 4.49Å; Y733-A735 HydrophobicContact CE1-CB 3.96Å; Y733-K920 HydrophobicContact CD1-CB 4.23Å; Y733-K920 HydrophobicContact CD1-CG 4.14Å; Y733-K920 HydrophobicContact CD2-CB 4.19Å; Y733-K920 HydrophobicContact CD2-CG 4.15Å; Y733-K920 HydrophobicContact CE1-CB 4.2Å; Y733-K920 HydrophobicContact CE2-CB 4.16Å; Y733-K920 HydrophobicContact CG-CB 4.21Å; Y733-K920 HydrophobicContact CG-CG 3.87Å; Y733-S923 VanDerWaalsContact CD2-OG 3.31Å; Y733-S923 WeakPolarHBondContact CD2-OG 3.35Å; Y733-S923 WeakPolarHBondContact CE2-OG 3.23Å
734	N	79.8	Confident	67.9	Low	81 Å²	81	61.7 Å²	61.7	43%	0.433	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	106.2	174	-179.4	-20.1	0	0	0	109.8	T736 S737 K738 L739	N734-T736 PolarHBondContact O-N 2.84Å; N734-T736 WeakPolarHBondContact OD1-CB 3.35Å; N734-T736 PolarHBondContact OD1-N 3.49Å; N734-S737 WeakPolarHBondContact CB-OG 3.42Å; N734-S737 VanDerWaalsContact CG-OG 3.29Å; N734-S737 PolarHBondContact O-N 3.03Å; N734-S737 PolarHBondContact OD1-N 2.91Å; N734-K738 WeakPolarHBondContact O-CA 3.49Å; N734-K738 PolarHBondContact O-N 3.42Å; N734-L739 PolarHBondContact N-O 2.89Å; N734-L739 PolarHBondContact O-N 3.33Å
735	A	76.1	Confident	68.7	Low	74 Å²	74	61.3 Å²	61.3	61%	0.612	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.6	-178.3	0	0	0	0	0	114.4	Y733	Y733-A735 HydrophobicContact CD1-CB 4.49Å; Y733-A735 HydrophobicContact CE1-CB 3.96Å
736	T	77.2	Confident	68.8	Low	140 Å²	140	67.7 Å²	67.7	86%	0.859	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-39.1	-179.9	-50.4	0	0	0	0	111.9	N734	N734-T736 PolarHBondContact O-N 2.84Å; N734-T736 WeakPolarHBondContact OD1-CB 3.35Å; N734-T736 PolarHBondContact OD1-N 3.49Å
737	S	79.9	Confident	68.5	Low	55 Å²	55	73.1 Å²	73.1	39%	0.385	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.5	175.8	58.9	0	0	0	0	113.7	N734 L739	N734-S737 WeakPolarHBondContact CB-OG 3.42Å; N734-S737 VanDerWaalsContact CG-OG 3.29Å; N734-S737 PolarHBondContact O-N 3.03Å; N734-S737 PolarHBondContact OD1-N 2.91Å; S737-L739 PolarHBondContact O-N 3.01Å
738	K	78.9	Confident	67.6	Low	67 Å²	67	77 Å²	77	29%	0.291	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	31.4	-169.1	-57.2	-171.4	175.5	-165.1	0	113.5	N734 D919 S923 S965	N734-K738 WeakPolarHBondContact O-CA 3.49Å; N734-K738 PolarHBondContact O-N 3.42Å; K738-D919 HydrophobicContact CD-CB 4.32Å; K738-D919 WeakPolarHBondContact CD-OD2 3.25Å; K738-D919 WeakPolarHBondContact CE-OD2 3.29Å; K738-D919 IonicContact NZ-OD2 2.65Å; K738-D919 PolarHBondContact NZ-OD2 3.47Å; K738-S923 WeakPolarHBondContact O-CB 3.5Å; K738-S965 PolarHBondContact NZ-OG 2.82Å
739	L	79.8	Confident	66.7	Low	97 Å²	97	81.4 Å²	81.4	51%	0.508	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	150.7	178.1	-63.8	175.5	0	0	0	111.3	N734 S737 L962	N734-L739 PolarHBondContact N-O 2.89Å; N734-L739 PolarHBondContact O-N 3.33Å; S737-L739 PolarHBondContact O-N 3.01Å; L739-L962 HydrophobicContact CD2-CD1 4.33Å
740	T	80.9	Confident	65.4	Low	13 Å²	13	87.9 Å²	87.9	8%	0.08	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.9	168.8	-57.7	0	0	0	0	109.1	C731 T732 S923 L924	C731-T740 HydrophobicContact CB-CG2 3.89Å; T732-T740 WeakPolarHBondContact O-CA 3.31Å; T740-S923 PolarHBondContact OG1-OG 3.2Å; T740-L924 HydrophobicContact CG2-CD2 3.78Å; T740-L924 HydrophobicContact CG2-CG 4.08Å; T740-L924 PolarHBondContact OG1-N 3.39Å
741	S	77	Confident	64.2	Low	69 Å²	69	87.5 Å²	87.5	48%	0.483	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.5	167.8	59.2	0	0	0	0	110.1	C731 T732 E927	C731-S741 WeakPolarHBondContact CA-O 3.13Å; T732-S741 PolarHBondContact N-O 3.19Å; T732-S741 PolarHBondContact O-N 3.41Å; S741-E927 WeakPolarHBondContact CA-OE1 3.24Å
742	C	74.3	Confident	62.7	Low	19 Å²	19	91.6 Å²	91.6	13%	0.128	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.2	-178.3	-62.3	0	0	0	0	113.5	H729 N730 C731 E927	H729-C742 HydrophobicContact CB-CB 4.32Å; N730-C742 WeakPolarHBondContact O-CA 3.07Å; C731-C742 HydrophobicContact CB-CB 4.15Å; C731-C742 WeakPolarHBondContact CB-SG 3.44Å; C731-C742 WeakPolarHBondContact SG-CB 3.42Å; C731-C742 CovalentContact SG-SG 2.04Å; C731-C742 PolarHBondContact SG-SG 2.87Å; C742-E927 HydrophobicContact CB-CG 4.02Å; C742-E927 PolarHBondContact N-OE1 2.92Å; C742-E927 VanDerWaalsContact SG-CG 3.56Å
743	I	67.8	Low	61.1	Low	119 Å²	119	92.4 Å²	92.4	61%	0.61	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.2	178.2	-56.2	174.1	0	0	0	109.5	H729 N730	H729-I743 CarbonylContact C-O 3.58Å; H729-I743 WeakPolarHBondContact CA-O 3.41Å; H729-I743 VanDerWaalsContact CB-O 3.3Å; H729-I743 WeakPolarHBondContact CB-O 3.14Å; N730-I743 PolarHBondContact N-O 2.67Å; N730-I743 PolarHBondContact O-N 3.43Å
744	P	61.7	Low	59.9	Low	80 Å²	80	91.7 Å²	91.7	52%	0.519	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	137.6	-178.8	-25.4	33.1	0	0	0	114.6	H729	H729-P744 VanDerWaalsContact CD2-CA 3.44Å; H729-P744 WeakPolarHBondContact CD2-CA 3.1Å
745	S	52.7	Low	58.7	Low	39 Å²	39	92.6 Å²	92.6	27%	0.273	54%	0.537	S	S	.	.			trans	-76.7	151.8	167	136.4	0	0	0	0	110	N728 N747	N728-S745 WeakPolarHBondContact O-CB 3.48Å; N728-S745 PolarHBondContact O-N 2.92Å; N728-S745 WeakPolarHBondContact OD1-CB 3.38Å; N728-S745 PolarHBondContact OD1-OG 3.22Å; S745-N747 VanDerWaalsContact C-N 3.25Å; S745-N747 PolarHBondContact O-N 2.85Å; S745-N747 PolarHBondContact OG-N 2.86Å
746	Q	41.6	Very low	57.9	Low	179 Å²	179	91.1 Å²	91.1	84%	0.836	52%	0.522	S	S	*	.	S	Bend	trans	-78.4	-4.9	-175.6	-67	-69.8	-70.7	0	0	113.7
747	N	37.5	Very low	57.8	Low	132 Å²	132	87.9 Å²	87.9	71%	0.706	50%	0.502	S	S	*	.			trans	-107.1	65.9	-172.7	-72.1	-11.6	0	0	0	112.7	N728 S745	N728-N747 PolarHBondContact ND2-O 2.72Å; S745-N747 VanDerWaalsContact C-N 3.25Å; S745-N747 PolarHBondContact O-N 2.85Å; S745-N747 PolarHBondContact OG-N 2.86Å
748	S	38.1	Very low	57.8	Low	85 Å²	85	89.2 Å²	89.2	59%	0.594	51%	0.508	S	S	*	.			trans	-91	118.4	165.5	53.1	0	0	0	0	111	K750	S748-K750 PolarHBondContact O-N 3.26Å; S748-K750 VanDerWaalsContact O-N 3.15Å
749	V	37.1	Very low	58	Low	131 Å²	131	86.1 Å²	86.1	79%	0.794	50%	0.495	S	S	*	.			trans	-75.5	102.9	178	-179.3	0	0	0	0	109	S751	V749-S751 PolarHBondContact O-N 3.06Å
750	K	34.4	Very low	58	Low	179 Å²	179	87.6 Å²	87.6	78%	0.778	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-68.5	121	174	-67.2	-175.7	178.2	-178.1	0	110	S748 N752	S748-K750 PolarHBondContact O-N 3.26Å; S748-K750 VanDerWaalsContact O-N 3.15Å; K750-N752 PolarHBondContact O-N 3.29Å
751	S	41.9	Very low	58	Low	85 Å²	85	90.5 Å²	90.5	59%	0.594	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-62.2	125.9	169.6	56.7	0	0	0	0	110.2	V749	V749-S751 PolarHBondContact O-N 3.06Å
752	N	41.3	Very low	58.1	Low	127 Å²	127	89.4 Å²	89.4	68%	0.679	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-66.6	139	172.2	-75.3	-43.6	0	0	0	110	N707 K750 L754	N707-N752 PolarHBondContact ND2-O 3.2Å; K750-N752 PolarHBondContact O-N 3.29Å; N752-L754 PolarHBondContact O-N 3.25Å
753	P	46.1	Very low	57.9	Low	112 Å²	112	91.9 Å²	91.9	73%	0.727	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-61.9	128.3	174	26.8	-33.5	0	0	0	109.7
754	L	54	Low	57.9	Low	42 Å²	42	86.7 Å²	86.7	22%	0.22	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-61.8	136	173.6	-63.7	171.6	0	0	0	109.3	L700 E704 N707 F708 N752 P756	L700-L754 HydrophobicContact CD2-CD1 4.35Å; L700-L754 HydrophobicContact CD2-CD2 3.98Å; E704-L754 HydrophobicContact CB-CD2 3.66Å; E704-L754 HydrophobicContact CG-CD2 3.86Å; N707-L754 WeakPolarHBondContact ND2-CD2 3.28Å; F708-L754 HydrophobicContact CE2-CD1 4.1Å; F708-L754 HydrophobicContact CE2-CD2 4.27Å; F708-L754 HydrophobicContact CZ-CD1 3.99Å; N752-L754 PolarHBondContact O-N 3.25Å; L754-P756 VanDerWaalsContact O-CD 3.26Å; L754-P756 WeakPolarHBondContact O-CD 3.46Å
755	V	54.6	Low	58.1	Low	100 Å²	100	84.8 Å²	84.8	61%	0.606	48%	0.478	S	S	*	.			trans	-118.1	73	170.8	-173	0	0	0	0	106.7	K701 E704	K701-V755 PolarHBondContact NZ-O 2.99Å; E704-V755 PolarHBondContact OE1-N 2.78Å
756	P	59.8	Low	59.1	Low	44 Å²	44	86.1 Å²	86.1	29%	0.286	48%	0.482	S	S	.	.			trans	-60.7	153.2	-174.6	26.7	-35.8	0	0	0	110.7	L698 L754 Y804	L698-P756 HydrophobicContact CB-CB 4.06Å; L698-P756 HydrophobicContact CD1-CB 4.03Å; L698-P756 HydrophobicContact CD1-CG 4.16Å; L698-P756 HydrophobicContact CD2-CB 4.39Å; L698-P756 HydrophobicContact CG-CB 4.39Å; L754-P756 VanDerWaalsContact O-CD 3.26Å; L754-P756 WeakPolarHBondContact O-CD 3.46Å; P756-Y804 HydrophobicContact CB-CD1 4.22Å; P756-Y804 HydrophobicContact CB-CE1 3.72Å; P756-Y804 HydrophobicContact CG-CE1 3.88Å
757	T	74.6	Confident	61.1	Low	72 Å²	72	78.8 Å²	78.8	44%	0.442	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134	177.3	-56.1	0	0	0	0	108	C699 K701 C759	C699-T757 PolarHBondContact N-O 3.3Å; K701-T757 WeakPolarHBondContact CE-OG1 3.48Å; K701-T757 PolarHBondContact NZ-OG1 2.83Å; T757-C759 PolarHBondContact O-N 2.98Å
758	T	80.2	Confident	63.6	Low	82 Å²	82	72.7 Å²	72.7	50%	0.503	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	133.8	179.2	-44.1	0	0	0	0	110.7	H762	T758-H762 HydrophobicContact CG2-CB 4.26Å
759	C	83.1	Confident	66.1	Low	3 Å²	3	70.7 Å²	70.7	2%	0.02	40%	0.401	C	S	.	.			trans	-61.3	137	-177.4	-78.5	0	0	0	0	111.3	Y697 C699 T757 W761 H762	Y697-C759 PolarHBondContact O-N 2.86Å; C699-C759 WeakPolarHBondContact CA-SG 3.32Å; C699-C759 HydrophobicContact CB-CB 4.07Å; C699-C759 WeakPolarHBondContact CB-SG 3.07Å; C699-C759 PolarHBondContact N-SG 2.8Å; C699-C759 WeakPolarHBondContact SG-CA 3.37Å; C699-C759 WeakPolarHBondContact SG-CB 3.05Å; C699-C759 CovalentContact SG-SG 2.05Å; C699-C759 PolarHBondContact SG-SG 2.79Å; T757-C759 PolarHBondContact O-N 2.98Å; C759-W761 HydrophobicContact CB-CD2 3.87Å; C759-W761 VanDerWaalsContact CB-CE2 3.46Å; C759-W761 HydrophobicContact CB-CE3 4.39Å; C759-W761 HydrophobicContact CB-CG 4.36Å; C759-W761 HydrophobicContact CB-CH2 4.2Å; C759-W761 HydrophobicContact CB-CZ2 3.65Å; C759-W761 PolarHBondContact O-N 2.8Å; C759-W761 WeakPolarHBondContact SG-CZ2 3.27Å; C759-H762 HydrophobicContact CB-CB 4.21Å; C759-H762 WeakPolarHBondContact O-CB 3.37Å; C759-H762 PolarHBondContact O-N 3.05Å
760	P	79.1	Confident	68.7	Low	127 Å²	127	66.1 Å²	66.1	83%	0.825	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.8	-175.7	-25.7	35	0	0	0	115.6
761	W	80.3	Confident	71.5	Confident	75 Å²	75	58 Å²	58	28%	0.284	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-13.2	175.7	49.5	-105.9	0	0	0	113.4	Y697 C759 N763 P768 P769 V805	Y697-W761 VanDerWaalsContact CB-CH2 3.4Å; Y697-W761 AromaticContact CD1-CH2 3.65Å; Y697-W761 HydrophobicContact CD1-CH2 3.65Å; Y697-W761 HydrophobicContact CD1-CZ3 4.2Å; Y697-W761 HydrophobicContact CD2-CH2 4.43Å; Y697-W761 HydrophobicContact CD2-CZ3 4.22Å; Y697-W761 AromaticContact CG-CH2 3.57Å; Y697-W761 HydrophobicContact CG-CH2 3.57Å; Y697-W761 AromaticContact CG-CZ3 3.78Å; Y697-W761 HydrophobicContact CG-CZ3 3.78Å; C759-W761 HydrophobicContact CB-CD2 3.87Å; C759-W761 VanDerWaalsContact CB-CE2 3.46Å; C759-W761 HydrophobicContact CB-CE3 4.39Å; C759-W761 HydrophobicContact CB-CG 4.36Å; C759-W761 HydrophobicContact CB-CH2 4.2Å; C759-W761 HydrophobicContact CB-CZ2 3.65Å; C759-W761 PolarHBondContact O-N 2.8Å; C759-W761 WeakPolarHBondContact SG-CZ2 3.27Å; W761-N763 PolarHBondContact O-N 2.82Å; W761-P768 HydrophobicContact CH2-CB 3.62Å; W761-P768 HydrophobicContact CZ3-CB 3.75Å; W761-P769 VanDerWaalsContact CD2-CD 3.47Å; W761-P769 HydrophobicContact CD2-CG 3.92Å; W761-P769 VanDerWaalsContact CE2-CD 3.41Å; W761-P769 HydrophobicContact CE3-CG 4.47Å; W761-P769 HydrophobicContact CG-CG 4.25Å; W761-P769 HydrophobicContact CH2-CG 4.47Å; W761-P769 VanDerWaalsContact CZ2-CD 3.48Å; W761-P769 HydrophobicContact CZ2-CG 3.9Å; W761-V805 HydrophobicContact CZ2-CG2 4.49Å
762	H	80.7	Confident	73.9	Confident	46 Å²	46	56.7 Å²	56.7	21%	0.213	32%	0.323	C	S	.	.			trans	-75.6	122.6	-178.4	172.9	72.3	0	0	0	110.7	V695 Y697 T758 C759	V695-H762 PolarHBondContact O-CE1 2.85Å; Y697-H762 AromaticContact CD2-CE1 3.98Å; Y697-H762 AromaticContact CD2-ND1 3.47Å; Y697-H762 WeakPolarHBondContact CD2-ND1 3.49Å; T758-H762 HydrophobicContact CG2-CB 4.26Å; C759-H762 HydrophobicContact CB-CB 4.21Å; C759-H762 WeakPolarHBondContact O-CB 3.37Å; C759-H762 PolarHBondContact O-N 3.05Å
763	N	69.8	Low	76.4	Confident	70 Å²	70	52.8 Å²	52.8	37%	0.374	30%	0.302	S	S	.	.			trans	-137.3	13.3	-178.5	63	12.5	0	0	0	112.6	W761 F765 D766	W761-N763 PolarHBondContact O-N 2.82Å; N763-F765 WeakPolarHBondContact O-CD2 3.26Å; N763-F765 PolarHBondContact O-N 2.94Å; N763-F765 PolarHBondContact OD1-N 2.69Å; N763-D766 PolarHBondContact ND2-OD2 3.46Å; N763-D766 PolarHBondContact OD1-N 2.89Å
764	G	66.5	Low	78.5	Confident	10 Å²	10	52.1 Å²	52.1	10%	0.103	29%	0.292	C	S	.	.	S	Bend	trans	74	-34.2	-171.6	0	0	0	0	0	115.5	L668 A669	L668-G764 WeakPolarHBondContact CB-O 3.08Å; A669-G764 PolarHBondContact N-O 2.81Å
765	F	66.4	Low	80.2	Confident	41 Å²	41	57.8 Å²	57.8	18%	0.18	32%	0.323	C	S	.	.	S	Bend	trans	-98.1	-18.2	-166.7	-55.4	-76.6	0	0	0	116.6	P503 L668 A669 R672 N763	P503-F765 HydrophobicContact CG-CZ 4.34Å; L668-F765 HydrophobicContact CB-CD1 3.94Å; L668-F765 HydrophobicContact CB-CE1 4.26Å; L668-F765 HydrophobicContact CD1-CE1 4.25Å; L668-F765 HydrophobicContact CD2-CE1 4.26Å; A669-F765 WeakPolarHBondContact CA-O 3.19Å; R672-F765 WeakPolarHBondContact CD-O 3.27Å; R672-F765 VanDerWaalsContact NH1-CB 3.25Å; N763-F765 WeakPolarHBondContact O-CD2 3.26Å; N763-F765 PolarHBondContact O-N 2.94Å; N763-F765 PolarHBondContact OD1-N 2.69Å
766	D	74.9	Confident	81.8	Confident	66 Å²	66	57.9 Å²	57.9	35%	0.353	32%	0.32	S	S	.	.	S	Bend	trans	-107.9	143.9	-179.5	-56.9	-31.5	0	0	0	110	R672 N763	R672-D766 IonicContact NH1-OD1 2.71Å; R672-D766 PolarHBondContact NH1-OD1 3.07Å; N763-D766 PolarHBondContact ND2-OD2 3.46Å; N763-D766 PolarHBondContact OD1-N 2.89Å
767	L	83.5	Confident	83.2	Confident	25 Å²	25	58.2 Å²	58.2	13%	0.131	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.4	149.3	175.6	-81.7	178.6	0	0	0	110.8	I647 I665 Y673	I647-L767 HydrophobicContact CD1-CD1 4.07Å; I647-L767 HydrophobicContact CG2-CD2 4.45Å; I665-L767 HydrophobicContact CB-CD2 4.43Å; I665-L767 HydrophobicContact CD1-CD2 3.65Å; I665-L767 HydrophobicContact CG1-CD2 3.91Å; I665-L767 HydrophobicContact CG2-CD2 3.6Å; Y673-L767 HydrophobicContact CD1-CD1 3.58Å; Y673-L767 HydrophobicContact CD1-CG 4.22Å; Y673-L767 HydrophobicContact CD2-CD1 4Å; Y673-L767 HydrophobicContact CD2-CG 3.82Å; Y673-L767 HydrophobicContact CE1-CB 4.21Å; Y673-L767 HydrophobicContact CE1-CD1 3.61Å; Y673-L767 HydrophobicContact CE1-CG 3.98Å; Y673-L767 HydrophobicContact CE2-CB 4.03Å; Y673-L767 HydrophobicContact CE2-CD1 4.05Å; Y673-L767 HydrophobicContact CE2-CG 3.58Å; Y673-L767 HydrophobicContact CG-CD1 3.77Å; Y673-L767 HydrophobicContact CG-CG 4.14Å; Y673-L767 PolarHBondContact OH-N 3.47Å; Y673-L767 VanDerWaalsContact OH-N 3.09Å
768	P	89.1	Confident	84.1	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.032	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-61.2	143.9	174.5	30.4	-38.2	0	0	0	110.7	A660 R661 I665 Y697 W761	A660-P768 HydrophobicContact CB-CB 3.57Å; A660-P768 HydrophobicContact CB-CG 3.62Å; R661-P768 HydrophobicContact CB-CG 4.26Å; I665-P768 HydrophobicContact CD1-CG 4.35Å; Y697-P768 HydrophobicContact CD1-CB 3.94Å; Y697-P768 HydrophobicContact CE1-CB 3.56Å; Y697-P768 HydrophobicContact CE1-CG 3.65Å; W761-P768 HydrophobicContact CH2-CB 3.62Å; W761-P768 HydrophobicContact CZ3-CB 3.75Å
769	P	91.1	Very high	84.8	Confident	43 Å²	43	51.7 Å²	51.7	28%	0.279	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-64.6	143	-179.7	29	-35.3	0	0	0	111	W761 N780	W761-P769 VanDerWaalsContact CD2-CD 3.47Å; W761-P769 HydrophobicContact CD2-CG 3.92Å; W761-P769 VanDerWaalsContact CE2-CD 3.41Å; W761-P769 HydrophobicContact CE3-CG 4.47Å; W761-P769 HydrophobicContact CG-CG 4.25Å; W761-P769 HydrophobicContact CH2-CG 4.47Å; W761-P769 VanDerWaalsContact CZ2-CD 3.48Å; W761-P769 HydrophobicContact CZ2-CG 3.9Å; P769-N780 HydrophobicContact CG-CB 4.35Å
770	D	91.5	Very high	85.3	Confident	34 Å²	34	52.6 Å²	52.6	18%	0.182	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-68.3	165.1	172.5	-73.9	-80.3	0	0	0	112.5	K642 F659 R661 N780	K642-D770 HydrophobicContact CD-CB 4.12Å; K642-D770 VanDerWaalsContact CE-CG 3.5Å; K642-D770 WeakPolarHBondContact CE-OD2 3.44Å; K642-D770 IonicContact NZ-OD2 2.86Å; K642-D770 PolarHBondContact NZ-OD2 3.02Å; F659-D770 HydrophobicContact CD1-CB 4.36Å; F659-D770 VanDerWaalsContact CD1-OD1 3.27Å; F659-D770 WeakPolarHBondContact CD1-OD1 3.37Å; F659-D770 HydrophobicContact CE1-CB 4.06Å; F659-D770 VanDerWaalsContact CE1-OD1 3.31Å; F659-D770 WeakPolarHBondContact CE1-OD1 3.25Å; R661-D770 IonicContact CZ-OD1 3.57Å; R661-D770 VanDerWaalsContact CZ-OD1 3.26Å; R661-D770 IonicContact NE-OD1 3.77Å; R661-D770 PolarHBondContact NE-OD1 3.38Å; R661-D770 IonicContact NE-OD2 3.67Å; R661-D770 IonicContact NH2-OD1 2.7Å; R661-D770 PolarHBondContact NH2-OD1 2.66Å; D770-N780 WeakPolarHBondContact O-CB 3.49Å; D770-N780 PolarHBondContact O-ND2 3.3Å
771	I	93.4	Very high	86	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.041	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59.8	137.2	168.1	-54.3	171.6	0	0	0	109.9	A638 I639 L658 F659 C778 N779	A638-I771 HydrophobicContact CB-CD1 4.12Å; I639-I771 HydrophobicContact CD1-CG2 4.41Å; I639-I771 HydrophobicContact CG1-CB 4.39Å; I639-I771 HydrophobicContact CG1-CG2 4.05Å; L658-I771 HydrophobicContact CB-CD1 3.29Å; L658-I771 HydrophobicContact CB-CG1 4.49Å; L658-I771 HydrophobicContact CD1-CD1 4.25Å; L658-I771 HydrophobicContact CG-CD1 4.38Å; F659-I771 HydrophobicContact CD1-CD1 4.07Å; F659-I771 HydrophobicContact CD1-CG1 3.97Å; F659-I771 HydrophobicContact CD2-CD1 3.52Å; F659-I771 HydrophobicContact CD2-CG1 4.32Å; F659-I771 HydrophobicContact CE1-CB 4.06Å; F659-I771 HydrophobicContact CE1-CD1 4Å; F659-I771 HydrophobicContact CE1-CG1 3.92Å; F659-I771 HydrophobicContact CE2-CD1 3.47Å; F659-I771 VanDerWaalsContact CE2-CD1 3.47Å; F659-I771 HydrophobicContact CE2-CG1 4.3Å; F659-I771 HydrophobicContact CG-CD1 3.85Å; F659-I771 HydrophobicContact CG-CG1 4.18Å; F659-I771 HydrophobicContact CZ-CB 4.17Å; F659-I771 HydrophobicContact CZ-CD1 3.71Å; F659-I771 HydrophobicContact CZ-CG1 4.1Å; I771-C778 VanDerWaalsContact CG2-SG 3.6Å; I771-N779 WeakPolarHBondContact CA-O 3.48Å
772	D	92.9	Very high	86.7	Confident	58 Å²	58	43 Å²	43	31%	0.31	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.8	161.6	71	46.3	0	0	0	110.7	L774 N779	D772-L774 WeakPolarHBondContact OD1-CD1 3.21Å; D772-L774 WeakPolarHBondContact OD1-CG 3.22Å; D772-N779 PolarHBondContact O-N 3.05Å; D772-N779 WeakPolarHBondContact OD1-CB 3.36Å; D772-N779 PolarHBondContact OD1-ND2 3.27Å
773	L	93	Very high	87.2	Confident	45 Å²	45	40.8 Å²	40.8	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	103.3	178.6	177.5	61.8	0	0	0	108.8	V632 C635 Q636 I639 M777 V810	V632-L773 HydrophobicContact CG1-CD2 4.21Å; C635-L773 HydrophobicContact CB-CD1 4.43Å; Q636-L773 HydrophobicContact CB-CD2 4.44Å; I639-L773 HydrophobicContact CD1-CB 3.66Å; L773-M777 WeakPolarHBondContact CA-O 3.41Å; L773-V810 HydrophobicContact CD1-CG2 3.7Å
774	L	90.5	Very high	88.3	Confident	98 Å²	98	38.6 Å²	38.6	51%	0.513	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.7	-177.9	-68.6	171	0	0	0	110.1	D772 N776 M777	D772-L774 WeakPolarHBondContact OD1-CD1 3.21Å; D772-L774 WeakPolarHBondContact OD1-CG 3.22Å; L774-N776 VanDerWaalsContact C-N 3.31Å; L774-N776 PolarHBondContact O-N 3.36Å; L774-M777 PolarHBondContact N-O 3.04Å; L774-M777 WeakPolarHBondContact O-CB 3.21Å; L774-M777 PolarHBondContact O-N 3.27Å
775	N	88.3	Confident	89.7	Confident	162 Å²	162	38.1 Å²	38.1	87%	0.866	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	42.5	175.9	-57.4	-32.5	0	0	0	114.2	M777	N775-M777 PolarHBondContact O-N 3.41Å
776	N	88.3	Confident	90.9	Very high	102 Å²	102	37 Å²	37	55%	0.545	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	19.8	-173.7	-65.5	0.6	0	0	0	115	L774 V810	L774-N776 VanDerWaalsContact C-N 3.31Å; L774-N776 PolarHBondContact O-N 3.36Å; N776-V810 WeakPolarHBondContact O-CG2 3.47Å; N776-V810 PolarHBondContact O-N 3.12Å
777	M	90.8	Very high	91.8	Very high	50 Å²	50	33.8 Å²	33.8	25%	0.246	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	164.9	-58.5	-64.2	-62.9	0	0	109.2	L773 L774 N775 N779 N807 L808 P809	L773-M777 WeakPolarHBondContact CA-O 3.41Å; L774-M777 PolarHBondContact N-O 3.04Å; L774-M777 WeakPolarHBondContact O-CB 3.21Å; L774-M777 PolarHBondContact O-N 3.27Å; N775-M777 PolarHBondContact O-N 3.41Å; M777-N779 WeakPolarHBondContact CB-OD1 3.5Å; M777-N807 HydrophobicContact CE-CB 3.97Å; M777-N807 VanDerWaalsContact CE-O 3.25Å; M777-N807 WeakPolarHBondContact CE-O 3.4Å; M777-L808 CarbonylContact C-O 3.59Å; M777-L808 WeakPolarHBondContact CA-O 3.35Å; M777-P809 HydrophobicContact CE-CB 4.46Å; M777-P809 HydrophobicContact SD-CB 3.89Å
778	C	93.5	Very high	92.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	104.2	165.6	-161.6	0	0	0	0	107.1	C635 I771 V781 L808 V810	C635-C778 HydrophobicContact CB-CB 3.86Å; C635-C778 WeakPolarHBondContact CB-SG 3.28Å; C635-C778 VanDerWaalsContact SG-CA 3.56Å; C635-C778 WeakPolarHBondContact SG-CB 3.04Å; C635-C778 CovalentContact SG-SG 2.04Å; C635-C778 PolarHBondContact SG-SG 3.23Å; I771-C778 VanDerWaalsContact CG2-SG 3.6Å; C778-V781 HydrophobicContact CB-CG2 4.19Å; C778-L808 PolarHBondContact N-O 2.66Å; C778-L808 PolarHBondContact O-N 2.94Å; C778-V810 HydrophobicContact CB-CG1 3.75Å; C778-V810 HydrophobicContact CB-CG2 4.13Å
779	N	93.8	Very high	92.2	Very high	18 Å²	18	35.4 Å²	35.4	10%	0.096	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	161.8	-170.9	-60.6	-52.2	0	0	0	111.8	I771 D772 M777 V781 N807	I771-N779 WeakPolarHBondContact CA-O 3.48Å; D772-N779 PolarHBondContact O-N 3.05Å; D772-N779 WeakPolarHBondContact OD1-CB 3.36Å; D772-N779 PolarHBondContact OD1-ND2 3.27Å; M777-N779 WeakPolarHBondContact CB-OD1 3.5Å; N779-V781 PolarHBondContact O-N 2.81Å; N779-N807 WeakPolarHBondContact CA-OD1 3.45Å; N779-N807 WeakPolarHBondContact CB-OD1 3.32Å; N779-N807 VanDerWaalsContact OD1-CB 3.26Å; N779-N807 WeakPolarHBondContact OD1-CB 3.47Å; N779-N807 PolarHBondContact OD1-ND2 3.4Å; N779-N807 VanDerWaalsContact OD1-ND2 3.15Å
780	N	93.2	Very high	91.8	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.112	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.7	27.5	175.2	-50.3	-46.4	0	0	0	115.4	P769 D770 V805 A806 N807	P769-N780 HydrophobicContact CG-CB 4.35Å; D770-N780 WeakPolarHBondContact O-CB 3.49Å; D770-N780 PolarHBondContact O-ND2 3.3Å; N780-V805 VanDerWaalsContact C-CG1 3.48Å; N780-V805 VanDerWaalsContact CA-CG1 3.44Å; N780-V805 HydrophobicContact CB-CG1 4.16Å; N780-A806 PolarHBondContact N-O 3.19Å; N780-N807 PolarHBondContact N-OD1 3.43Å
781	V	94.3	Very high	91.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.4	178.3	177.1	0	0	0	0	110.7	L630 L658 C778 N779 V805 A806 L808	L630-V781 HydrophobicContact CD1-CG1 4.37Å; L658-V781 HydrophobicContact CB-CG1 4.41Å; L658-V781 HydrophobicContact CD2-CG1 3.52Å; C778-V781 HydrophobicContact CB-CG2 4.19Å; N779-V781 PolarHBondContact O-N 2.81Å; V781-V805 CarbonylContact O-C 3.56Å; V781-V805 WeakPolarHBondContact O-CA 3.38Å; V781-A806 PolarHBondContact N-O 3Å; V781-A806 PolarHBondContact O-N 3.27Å; V781-L808 HydrophobicContact CB-CD1 3.88Å; V781-L808 HydrophobicContact CB-CG 4.17Å; V781-L808 HydrophobicContact CG1-CD1 3.63Å; V781-L808 HydrophobicContact CG1-CG 4.43Å; V781-L808 HydrophobicContact CG2-CD1 4.22Å; V781-L808 HydrophobicContact CG2-CG 4.46Å
782	V	95	Very high	90.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.7	173.5	177.4	0	0	0	0	111.2	L658 A660 Y663 V785 V803 Y804 Q819	L658-V782 PolarHBondContact O-N 2.85Å; A660-V782 HydrophobicContact CB-CG2 3.97Å; Y663-V782 HydrophobicContact CD2-CG1 4.43Å; Y663-V782 HydrophobicContact CD2-CG2 4.15Å; Y663-V782 HydrophobicContact CE2-CB 3.98Å; Y663-V782 HydrophobicContact CE2-CG1 3.78Å; Y663-V782 HydrophobicContact CE2-CG2 3.82Å; V782-V785 HydrophobicContact CG1-CG2 3.58Å; V782-V803 HydrophobicContact CG1-CG1 4.23Å; V782-V803 HydrophobicContact CG2-CG1 3.9Å; V782-Y804 WeakPolarHBondContact CA-O 3.41Å; V782-Q819 PolarHBondContact O-NE2 3.21Å
783	L	92.2	Very high	89.3	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-17.2	174.8	-71.8	-174.1	0	0	0	114.2	L700 L705 F708 Y804 A806 L808 Q819 E820	L700-L783 HydrophobicContact CD1-CB 3.88Å; L700-L783 HydrophobicContact CD1-CD1 3.8Å; L700-L783 HydrophobicContact CD1-CG 4.42Å; L705-L783 HydrophobicContact CD1-CD1 3.87Å; F708-L783 HydrophobicContact CB-CD1 3.92Å; F708-L783 HydrophobicContact CB-CD2 4.43Å; F708-L783 HydrophobicContact CD1-CB 4.03Å; F708-L783 HydrophobicContact CD1-CD1 4.43Å; F708-L783 HydrophobicContact CD2-CD1 3.99Å; F708-L783 HydrophobicContact CE1-CB 4.17Å; F708-L783 WeakPolarHBondContact CE1-O 3.38Å; F708-L783 HydrophobicContact CG-CB 4.29Å; F708-L783 HydrophobicContact CG-CD1 3.87Å; L783-Y804 PolarHBondContact N-O 2.94Å; L783-A806 HydrophobicContact CD1-CB 3.56Å; L783-A806 HydrophobicContact CG-CB 4.02Å; L783-L808 HydrophobicContact CD1-CD2 4.05Å; L783-L808 HydrophobicContact CD2-CD1 4.11Å; L783-L808 HydrophobicContact CD2-CD2 4.28Å; L783-L808 HydrophobicContact CG-CD2 4.45Å; L783-Q819 CarbonylContact O-C 3.56Å; L783-Q819 VanDerWaalsContact O-CA 3.27Å; L783-Q819 WeakPolarHBondContact O-CA 3.35Å; L783-E820 PolarHBondContact O-N 2.76Å
784	K	92.6	Very high	88.4	Confident	25 Å²	25	32.9 Å²	32.9	11%	0.109	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	144.5	174.1	178.4	176.8	-162.7	-136.4	0	112	F708 D786 Y804 E820	F708-K784 HydrophobicContact CE1-CB 4.23Å; F708-K784 HydrophobicContact CZ-CB 4.37Å; K784-D786 WeakPolarHBondContact CE-OD1 3.44Å; K784-D786 WeakPolarHBondContact CE-OD2 3.4Å; K784-D786 VanDerWaalsContact NZ-CG 3.31Å; K784-D786 IonicContact NZ-OD1 2.75Å; K784-D786 PolarHBondContact NZ-OD1 3.4Å; K784-D786 IonicContact NZ-OD2 2.72Å; K784-D786 PolarHBondContact NZ-OD2 3.37Å; K784-Y804 HydrophobicContact CB-CD2 3.7Å; K784-Y804 HydrophobicContact CB-CE2 4.47Å; K784-Y804 HydrophobicContact CB-CG 3.87Å; K784-Y804 HydrophobicContact CD-CD2 3.92Å; K784-Y804 HydrophobicContact CD-CE2 3.85Å; K784-Y804 HydrophobicContact CD-CG 4.38Å; K784-Y804 HydrophobicContact CG-CD2 3.75Å; K784-Y804 HydrophobicContact CG-CE2 4.06Å; K784-Y804 HydrophobicContact CG-CG 4.35Å; K784-Y804 PolarHBondContact N-O 3.28Å; K784-Y804 PolarHBondContact O-N 3.38Å; K784-E820 CarbonylContact C-O 3.52Å; K784-E820 WeakPolarHBondContact CA-O 3.43Å; K784-E820 HydrophobicContact CB-CB 3.89Å; K784-E820 HydrophobicContact CD-CB 3.98Å; K784-E820 VanDerWaalsContact CD-OE2 3.26Å; K784-E820 WeakPolarHBondContact CD-OE2 3.44Å; K784-E820 WeakPolarHBondContact CE-OE2 3.33Å; K784-E820 HydrophobicContact CG-CB 3.59Å
785	V	94.8	Very high	87.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.9	168.6	-166.1	0	0	0	0	111.2	Y663 V782 Y787 Q802 V803 E820 Y821 S822	Y663-V785 HydrophobicContact CD1-CG1 4.42Å; Y663-V785 HydrophobicContact CD1-CG2 3.88Å; Y663-V785 HydrophobicContact CD2-CG2 4.24Å; Y663-V785 HydrophobicContact CE1-CG2 3.78Å; Y663-V785 HydrophobicContact CE2-CG2 4.2Å; Y663-V785 HydrophobicContact CG-CG2 4.08Å; V782-V785 HydrophobicContact CG1-CG2 3.58Å; V785-Y787 HydrophobicContact CB-CE2 4.15Å; V785-Y787 HydrophobicContact CG1-CD2 3.97Å; V785-Y787 HydrophobicContact CG1-CE1 4.22Å; V785-Y787 HydrophobicContact CG1-CE2 3.3Å; V785-Y787 VanDerWaalsContact CG1-CZ 3.46Å; V785-Q802 WeakPolarHBondContact CA-O 3.48Å; V785-V803 HydrophobicContact CG1-CG2 4.06Å; V785-V803 HydrophobicContact CG2-CG1 4.5Å; V785-E820 PolarHBondContact N-O 3.4Å; V785-Y821 HydrophobicContact CB-CD1 4.21Å; V785-Y821 HydrophobicContact CB-CE1 4.49Å; V785-Y821 HydrophobicContact CG2-CD1 4.45Å; V785-Y821 HydrophobicContact CG2-CE1 4.23Å; V785-Y821 WeakPolarHBondContact O-CA 3.4Å; V785-S822 PolarHBondContact O-N 3.5Å
786	D	91.3	Very high	87.6	Confident	16 Å²	16	21.3 Å²	21.3	9%	0.086	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.2	172.7	-65.1	-52.8	0	0	0	110.6	K784 A801 Q802 Y804 S822	K784-D786 WeakPolarHBondContact CE-OD1 3.44Å; K784-D786 WeakPolarHBondContact CE-OD2 3.4Å; K784-D786 VanDerWaalsContact NZ-CG 3.31Å; K784-D786 IonicContact NZ-OD1 2.75Å; K784-D786 PolarHBondContact NZ-OD1 3.4Å; K784-D786 IonicContact NZ-OD2 2.72Å; K784-D786 PolarHBondContact NZ-OD2 3.37Å; D786-A801 CarbonylContact O-C 3.54Å; D786-A801 WeakPolarHBondContact O-CA 3.36Å; D786-Q802 HydrophobicContact CB-CB 4.46Å; D786-Q802 PolarHBondContact N-O 3.26Å; D786-Q802 PolarHBondContact O-N 3Å; D786-Y804 WeakPolarHBondContact OD2-CE2 3.25Å; D786-S822 PolarHBondContact OD1-OG 3.22Å
787	Y	95.1	Very high	87	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.5	175	-70.8	-75	0	0	0	112.8	F599 L601 Y663 L664 V785 F789 L800 A801 S822 K824	F599-Y787 HydrophobicContact CE1-CE1 4.4Å; F599-Y787 HydrophobicContact CE1-CE2 4.25Å; F599-Y787 HydrophobicContact CZ-CE1 4.04Å; F599-Y787 HydrophobicContact CZ-CE2 4.02Å; F599-Y787 AromaticContact CZ-CZ 3.61Å; L601-Y787 HydrophobicContact CD1-CD2 4.18Å; L601-Y787 HydrophobicContact CD1-CE2 4.36Å; L601-Y787 HydrophobicContact CD2-CD2 4.33Å; L601-Y787 HydrophobicContact CD2-CE2 3.69Å; Y663-Y787 WeakPolarHBondContact CB-OH 3.2Å; Y663-Y787 WeakPolarHBondContact CD1-OH 3.47Å; L664-Y787 HydrophobicContact CB-CE1 4.08Å; L664-Y787 HydrophobicContact CD1-CD1 3.9Å; L664-Y787 HydrophobicContact CD1-CE1 3.5Å; L664-Y787 HydrophobicContact CG-CE1 3.64Å; L664-Y787 PolarHBondContact N-OH 3.32Å; V785-Y787 HydrophobicContact CB-CE2 4.15Å; V785-Y787 HydrophobicContact CG1-CD2 3.97Å; V785-Y787 HydrophobicContact CG1-CE1 4.22Å; V785-Y787 HydrophobicContact CG1-CE2 3.3Å; V785-Y787 VanDerWaalsContact CG1-CZ 3.46Å; Y787-F789 HydrophobicContact CD1-CZ 4.11Å; Y787-F789 HydrophobicContact CG-CE2 4.46Å; Y787-F789 HydrophobicContact CG-CZ 4.19Å; Y787-L800 WeakPolarHBondContact CA-O 3.39Å; Y787-A801 HydrophobicContact CD1-CB 3.69Å; Y787-A801 HydrophobicContact CE1-CB 3.48Å; Y787-A801 VanDerWaalsContact CE1-CB 3.48Å; Y787-S822 PolarHBondContact N-O 2.89Å; Y787-K824 PolarHBondContact O-N 3Å
788	K	90.2	Very high	86.5	Confident	63 Å²	63	19 Å²	19	27%	0.274	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.1	168.4	-49.6	165.3	-170.2	162.2	0	108.9	L800 K824 I826	K788-L800 HydrophobicContact CB-CB 4.24Å; K788-L800 HydrophobicContact CD-CD1 4.4Å; K788-L800 PolarHBondContact N-O 2.88Å; K788-L800 PolarHBondContact O-N 2.88Å; K788-K824 CarbonylContact C-O 3.52Å; K788-K824 WeakPolarHBondContact CA-O 3.45Å; K788-I826 HydrophobicContact CB-CD1 3.98Å; K788-I826 HydrophobicContact CD-CD1 4.23Å; K788-I826 HydrophobicContact CG-CD1 4.36Å
789	F	91	Very high	86.3	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.2	175.9	-61.4	-66.5	0	0	0	109.6	L573 F599 V615 L664 L680 Y787 I796 A799 V823 K824 F825 I826	L573-F789 HydrophobicContact CD1-CD1 4.38Å; L573-F789 HydrophobicContact CD1-CD2 4.19Å; L573-F789 HydrophobicContact CD1-CE1 4.25Å; L573-F789 HydrophobicContact CD1-CE2 4.04Å; L573-F789 HydrophobicContact CD1-CG 4.36Å; L573-F789 HydrophobicContact CD1-CZ 4.07Å; F599-F789 HydrophobicContact CE1-CZ 4.33Å; V615-F789 HydrophobicContact CG1-CE2 3.88Å; L664-F789 HydrophobicContact CD1-CE1 4.25Å; L680-F789 HydrophobicContact CD1-CD1 4.34Å; L680-F789 HydrophobicContact CD1-CE1 3.57Å; L680-F789 HydrophobicContact CD1-CZ 4.37Å; Y787-F789 HydrophobicContact CD1-CZ 4.11Å; Y787-F789 HydrophobicContact CG-CE2 4.46Å; Y787-F789 HydrophobicContact CG-CZ 4.19Å; F789-I796 HydrophobicContact CB-CG2 4.36Å; F789-I796 HydrophobicContact CD1-CG2 4.4Å; F789-A799 HydrophobicContact CD1-CB 3.79Å; F789-A799 HydrophobicContact CE1-CB 3.76Å; F789-V823 HydrophobicContact CD2-CG1 3.98Å; F789-V823 HydrophobicContact CE2-CG1 3.84Å; F789-K824 PolarHBondContact N-O 3.1Å; F789-F825 HydrophobicContact CB-CD1 3.64Å; F789-F825 HydrophobicContact CB-CE1 3.69Å; F789-F825 HydrophobicContact CB-CG 4.41Å; F789-F825 HydrophobicContact CB-CZ 4.5Å; F789-F825 HydrophobicContact CD2-CD1 4.4Å; F789-F825 AromaticContact CD2-CE1 3.87Å; F789-F825 HydrophobicContact CD2-CE1 3.87Å; F789-F825 HydrophobicContact CD2-CE2 4.35Å; F789-F825 AromaticContact CD2-CZ 3.84Å; F789-F825 HydrophobicContact CD2-CZ 3.84Å; F789-F825 HydrophobicContact CG-CD1 4.43Å; F789-F825 HydrophobicContact CG-CE1 4.04Å; F789-F825 HydrophobicContact CG-CZ 4.46Å; F789-F825 CarbonylContact O-C 3.55Å; F789-F825 WeakPolarHBondContact O-CA 3.32Å; F789-I826 PolarHBondContact O-N 3.07Å
790	V	82.8	Confident	86	Confident	7 Å²	7	19 Å²	19	4%	0.042	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.3	175.4	-170.6	0	0	0	0	107.8	I547 I796 Q797 Q798 I826 T828	I547-V790 HydrophobicContact CD1-CG2 3.58Å; V790-I796 CarbonylContact O-C 3.08Å; V790-Q797 PolarHBondContact O-N 2.89Å; V790-Q798 HydrophobicContact CB-CB 3.93Å; V790-Q798 HydrophobicContact CG2-CB 3.97Å; V790-Q798 PolarHBondContact N-O 2.9Å; V790-Q798 PolarHBondContact O-N 2.82Å; V790-I826 WeakPolarHBondContact CA-O 3.34Å; V790-T828 HydrophobicContact CG1-CG2 3.58Å; V790-T828 WeakPolarHBondContact CG1-OG1 3.44Å
791	W	80.5	Confident	85.9	Confident	1 Å²	1	18 Å²	18	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.8	-174.2	75.1	-84.8	0	0	0	113.2	V555 Y617 L618 S795 I826 H827 T828	V555-W791 HydrophobicContact CG2-CH2 4.43Å; V555-W791 HydrophobicContact CG2-CZ3 4.31Å; Y617-W791 HydrophobicContact CE2-CB 4.18Å; Y617-W791 HydrophobicContact CE2-CG 4.35Å; Y617-W791 VanDerWaalsContact OH-CD2 3.29Å; L618-W791 HydrophobicContact CD1-CH2 4.49Å; L618-W791 HydrophobicContact CD1-CZ2 4.38Å; L618-W791 HydrophobicContact CD2-CD2 3.93Å; L618-W791 HydrophobicContact CD2-CG 4.28Å; L618-W791 HydrophobicContact CD2-CH2 4.36Å; L618-W791 HydrophobicContact CD2-CZ2 3.65Å; W791-S795 WeakPolarHBondContact CA-O 3.28Å; W791-S795 VanDerWaalsContact CB-O 3.25Å; W791-S795 WeakPolarHBondContact CB-O 3.41Å; W791-I826 PolarHBondContact N-O 3.02Å; W791-H827 HydrophobicContact CD2-CB 4.47Å; W791-H827 AromaticContact CD2-CD2 3.67Å; W791-H827 AromaticContact CE2-CD2 3.62Å; W791-H827 AromaticContact CE3-CD2 3.52Å; W791-H827 AromaticContact CH2-CD2 3.43Å; W791-H827 VanDerWaalsContact CH2-CD2 3.43Å; W791-H827 WeakPolarHBondContact CH2-CD2 3.37Å; W791-H827 HydrophobicContact CZ2-CB 3.78Å; W791-H827 AromaticContact CZ2-CD2 3.52Å; W791-H827 AromaticContact CZ2-CG 3.86Å; W791-H827 AromaticContact CZ3-CD2 3.42Å; W791-H827 VanDerWaalsContact CZ3-CD2 3.42Å; W791-H827 WeakPolarHBondContact CZ3-CD2 3.48Å; W791-H827 AromaticContact CZ3-NE2 3.9Å; W791-H827 WeakPolarHBondContact O-CA 3.43Å; W791-H827 PolarHBondContact O-CD2 2.94Å; W791-H827 VanDerWaalsContact O-CD2 3.27Å; W791-T828 PolarHBondContact O-N 3.01Å
792	S	74.4	Confident	85.7	Confident	14 Å²	14	19.5 Å²	19.5	10%	0.098	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	150	169.5	71.2	0	0	0	0	109.8	G794 S795 Q797 T828	S792-G794 PolarHBondContact O-N 3.13Å; S792-S795 PolarHBondContact N-O 2.66Å; S792-S795 WeakPolarHBondContact O-CA 3.42Å; S792-S795 WeakPolarHBondContact O-CB 3.31Å; S792-S795 PolarHBondContact O-N 2.75Å; S792-S795 VanDerWaalsContact O-O 3.14Å; S792-Q797 PolarHBondContact OG-NE2 3.44Å; S792-T828 WeakPolarHBondContact CB-O 3.4Å
793	N	70.2	Confident	85.7	Confident	114 Å²	114	19.5 Å²	19.5	61%	0.61	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	31.7	174.9	-59.4	-13.3	0	0	0	115.4	S566 S795	S566-N793 PolarHBondContact OG-O 2.8Å; N793-S795 VanDerWaalsContact C-N 3.3Å; N793-S795 PolarHBondContact O-N 3.47Å
794	G	73	Confident	85.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	11.8	-177.2	0	0	0	0	0	115	S566 Y567 Y617 S792	S566-G794 WeakPolarHBondContact CB-O 3.38Å; Y567-G794 PolarHBondContact N-O 2.97Å; Y617-G794 WeakPolarHBondContact OH-CA 3.12Å; S792-G794 PolarHBondContact O-N 3.13Å
795	S	78.4	Confident	85.8	Confident	16 Å²	16	19.3 Å²	19.3	11%	0.112	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.2	178.9	178.1	0	0	0	0	110.6	M682 W791 S792 N793	M682-S795 WeakPolarHBondContact CG-OG 3.25Å; M682-S795 WeakPolarHBondContact O-CA 3.4Å; M682-S795 PolarHBondContact O-OG 2.87Å; W791-S795 WeakPolarHBondContact CA-O 3.28Å; W791-S795 VanDerWaalsContact CB-O 3.25Å; W791-S795 WeakPolarHBondContact CB-O 3.41Å; S792-S795 PolarHBondContact N-O 2.66Å; S792-S795 WeakPolarHBondContact O-CA 3.42Å; S792-S795 WeakPolarHBondContact O-CB 3.31Å; S792-S795 PolarHBondContact O-N 2.75Å; S792-S795 VanDerWaalsContact O-O 3.14Å; N793-S795 VanDerWaalsContact C-N 3.3Å; N793-S795 PolarHBondContact O-N 3.47Å
796	I	84	Confident	85.6	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.6	173.5	-59.9	171.3	0	0	0	108.5	Y567 L573 Y617 M682 V691 F789 V790	Y567-I796 HydrophobicContact CD2-CD1 4.39Å; Y567-I796 HydrophobicContact CD2-CG1 4.38Å; Y567-I796 HydrophobicContact CE2-CD1 4.01Å; Y567-I796 HydrophobicContact CE2-CG1 4.3Å; L573-I796 HydrophobicContact CD1-CD1 3.8Å; L573-I796 HydrophobicContact CD2-CD1 3.58Å; L573-I796 HydrophobicContact CG-CD1 4.27Å; Y617-I796 HydrophobicContact CD2-CD1 4.26Å; Y617-I796 HydrophobicContact CD2-CG1 4.17Å; Y617-I796 HydrophobicContact CE2-CG1 3.96Å; M682-I796 WeakPolarHBondContact CG-O 3.35Å; M682-I796 PolarHBondContact O-N 3.4Å; V691-I796 HydrophobicContact CB-CG2 4.46Å; V691-I796 HydrophobicContact CG1-CB 4.48Å; V691-I796 HydrophobicContact CG1-CG2 3.64Å; V691-I796 HydrophobicContact CG2-CB 3.92Å; V691-I796 HydrophobicContact CG2-CG2 3.87Å; F789-I796 HydrophobicContact CB-CG2 4.36Å; F789-I796 HydrophobicContact CD1-CG2 4.4Å; V790-I796 CarbonylContact O-C 3.08Å
797	Q	76.1	Confident	85.6	Confident	65 Å²	65	22 Å²	22	30%	0.304	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-29.3	-175.8	-55.3	-60.2	-13.5	0	0	112.5	P692 V790 S792	P692-Q797 WeakPolarHBondContact CD-O 3.36Å; V790-Q797 PolarHBondContact O-N 2.89Å; S792-Q797 PolarHBondContact OG-NE2 3.44Å
798	Q	81	Confident	85.4	Confident	40 Å²	40	22 Å²	22	19%	0.187	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	149.6	178	-161.7	-178.4	31.5	0	0	111.2	P692 V790 L800	P692-Q798 HydrophobicContact CB-CG 4.46Å; P692-Q798 WeakPolarHBondContact O-CA 3.13Å; P692-Q798 WeakPolarHBondContact O-CG 3.17Å; V790-Q798 HydrophobicContact CB-CB 3.93Å; V790-Q798 HydrophobicContact CG2-CB 3.97Å; V790-Q798 PolarHBondContact N-O 2.9Å; V790-Q798 PolarHBondContact O-N 2.82Å; Q798-L800 HydrophobicContact CG-CD2 4.07Å
799	A	89.1	Confident	85.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.6	167.1	0	0	0	0	0	109.9	L664 L680 V691 P692 V693 K694 F789	L664-A799 HydrophobicContact CD1-CB 4.09Å; L680-A799 HydrophobicContact CD1-CB 3.96Å; V691-A799 HydrophobicContact CG1-CB 3.92Å; P692-A799 PolarHBondContact O-N 3.01Å; V693-A799 WeakPolarHBondContact CA-O 3.36Å; V693-A799 HydrophobicContact CG1-CB 4.38Å; V693-A799 HydrophobicContact CG2-CB 4.38Å; K694-A799 PolarHBondContact N-O 3.07Å; F789-A799 HydrophobicContact CD1-CB 3.79Å; F789-A799 HydrophobicContact CE1-CB 3.76Å
800	L	85.8	Confident	85.2	Confident	17 Å²	17	21.6 Å²	21.6	9%	0.089	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.6	171.3	-52.4	178.8	0	0	0	109	I547 K694 Y787 K788 Q798	I547-L800 HydrophobicContact CD1-CD1 3.91Å; K694-L800 HydrophobicContact CB-CD2 3.83Å; K694-L800 HydrophobicContact CD-CD2 4.15Å; K694-L800 HydrophobicContact CG-CD2 4.32Å; K694-L800 WeakPolarHBondContact O-CA 3.33Å; Y787-L800 WeakPolarHBondContact CA-O 3.39Å; K788-L800 HydrophobicContact CB-CB 4.24Å; K788-L800 HydrophobicContact CD-CD1 4.4Å; K788-L800 PolarHBondContact N-O 2.88Å; K788-L800 PolarHBondContact O-N 2.88Å; Q798-L800 HydrophobicContact CG-CD2 4.07Å
801	A	92.2	Very high	85.3	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.2	173.6	0	0	0	0	0	111.2	K694 V695 D696 D786 Y787	K694-A801 PolarHBondContact O-N 3.16Å; V695-A801 WeakPolarHBondContact CA-O 3.07Å; V695-A801 HydrophobicContact CG1-CB 4.1Å; V695-A801 HydrophobicContact CG2-CB 4.16Å; D696-A801 PolarHBondContact N-O 2.87Å; D786-A801 CarbonylContact O-C 3.54Å; D786-A801 WeakPolarHBondContact O-CA 3.36Å; Y787-A801 HydrophobicContact CD1-CB 3.69Å; Y787-A801 HydrophobicContact CE1-CB 3.48Å; Y787-A801 VanDerWaalsContact CE1-CB 3.48Å
802	Q	90.4	Very high	85.2	Confident	31 Å²	31	29.3 Å²	29.3	15%	0.145	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.2	170.6	-54.9	-164.9	-65.6	0	0	108.5	D696 L698 V785 D786 Y804	D696-Q802 HydrophobicContact CB-CG 4.17Å; D696-Q802 WeakPolarHBondContact O-CA 3.35Å; D696-Q802 PolarHBondContact OD2-NE2 2.8Å; L698-Q802 HydrophobicContact CD1-CB 4.18Å; V785-Q802 WeakPolarHBondContact CA-O 3.48Å; D786-Q802 HydrophobicContact CB-CB 4.46Å; D786-Q802 PolarHBondContact N-O 3.26Å; D786-Q802 PolarHBondContact O-N 3Å; Q802-Y804 HydrophobicContact CB-CE2 4.04Å
803	V	93.8	Very high	85.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.7	-174.4	-179.5	0	0	0	0	108.8	A660 V695 D696 Y697 L698 V782 V785 V805	A660-V803 HydrophobicContact CB-CG1 4.44Å; V695-V803 HydrophobicContact CG1-CG2 3.83Å; D696-V803 PolarHBondContact O-N 2.89Å; Y697-V803 WeakPolarHBondContact CA-O 3.46Å; Y697-V803 HydrophobicContact CD1-CB 3.73Å; Y697-V803 HydrophobicContact CD1-CG1 3.96Å; Y697-V803 HydrophobicContact CD1-CG2 4.43Å; Y697-V803 HydrophobicContact CE1-CB 3.85Å; Y697-V803 HydrophobicContact CE1-CG1 3.99Å; Y697-V803 HydrophobicContact CE1-CG2 4.1Å; L698-V803 PolarHBondContact N-O 2.76Å; V782-V803 HydrophobicContact CG1-CG1 4.23Å; V782-V803 HydrophobicContact CG2-CG1 3.9Å; V785-V803 HydrophobicContact CG1-CG2 4.06Å; V785-V803 HydrophobicContact CG2-CG1 4.5Å; V803-V805 HydrophobicContact CG1-CG2 4.06Å
804	Y	93.1	Very high	85.5	Confident	18 Å²	18	34 Å²	34	7%	0.071	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.9	-179.1	-62.2	-113.3	0	0	0	110.1	L698 L700 P756 V782 L783 K784 D786 Q802	L698-Y804 HydrophobicContact CB-CD1 4.03Å; L698-Y804 HydrophobicContact CB-CE1 4.35Å; L698-Y804 HydrophobicContact CB-CG 4.27Å; L698-Y804 HydrophobicContact CD1-CD1 4.2Å; L698-Y804 HydrophobicContact CD1-CD2 4.39Å; L698-Y804 HydrophobicContact CD1-CE1 3.74Å; L698-Y804 HydrophobicContact CD1-CE2 3.93Å; L698-Y804 CarbonylContact O-C 3.6Å; L698-Y804 VanDerWaalsContact O-CA 3.27Å; L698-Y804 WeakPolarHBondContact O-CA 3.49Å; L700-Y804 HydrophobicContact CD2-CD1 4.07Å; L700-Y804 HydrophobicContact CG-CD1 4.3Å; P756-Y804 HydrophobicContact CB-CD1 4.22Å; P756-Y804 HydrophobicContact CB-CE1 3.72Å; P756-Y804 HydrophobicContact CG-CE1 3.88Å; V782-Y804 WeakPolarHBondContact CA-O 3.41Å; L783-Y804 PolarHBondContact N-O 2.94Å; K784-Y804 HydrophobicContact CB-CD2 3.7Å; K784-Y804 HydrophobicContact CB-CE2 4.47Å; K784-Y804 HydrophobicContact CB-CG 3.87Å; K784-Y804 HydrophobicContact CD-CD2 3.92Å; K784-Y804 HydrophobicContact CD-CE2 3.85Å; K784-Y804 HydrophobicContact CD-CG 4.38Å; K784-Y804 HydrophobicContact CG-CD2 3.75Å; K784-Y804 HydrophobicContact CG-CE2 4.06Å; K784-Y804 HydrophobicContact CG-CG 4.35Å; K784-Y804 PolarHBondContact N-O 3.28Å; K784-Y804 PolarHBondContact O-N 3.38Å; D786-Y804 WeakPolarHBondContact OD2-CE2 3.25Å; Q802-Y804 HydrophobicContact CB-CE2 4.04Å
805	V	93.6	Very high	85.8	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.8	-170.8	-177.2	0	0	0	0	109.7	L698 C699 L700 W761 N780 V781 V803	L698-V805 PolarHBondContact O-N 3.1Å; C699-V805 WeakPolarHBondContact CA-O 3.2Å; L700-V805 PolarHBondContact N-O 3.38Å; W761-V805 HydrophobicContact CZ2-CG2 4.49Å; N780-V805 VanDerWaalsContact C-CG1 3.48Å; N780-V805 VanDerWaalsContact CA-CG1 3.44Å; N780-V805 HydrophobicContact CB-CG1 4.16Å; V781-V805 CarbonylContact O-C 3.56Å; V781-V805 WeakPolarHBondContact O-CA 3.38Å; V803-V805 HydrophobicContact CG1-CG2 4.06Å
806	A	91.7	Very high	85.7	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165	-179.3	0	0	0	0	0	112.9	L700 L705 N780 V781 L783 L808	L700-A806 HydrophobicContact CB-CB 4.15Å; L700-A806 HydrophobicContact CD1-CB 4.44Å; L705-A806 HydrophobicContact CD1-CB 3.73Å; N780-A806 PolarHBondContact N-O 3.19Å; V781-A806 PolarHBondContact N-O 3Å; V781-A806 PolarHBondContact O-N 3.27Å; L783-A806 HydrophobicContact CD1-CB 3.56Å; L783-A806 HydrophobicContact CG-CB 4.02Å; A806-L808 HydrophobicContact CB-CD2 4.19Å
807	N	91.8	Very high	85.8	Confident	68 Å²	68	37.9 Å²	37.9	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.5	172.2	-65.1	-5.6	0	0	0	108.4	M777 N779 N780	M777-N807 HydrophobicContact CE-CB 3.97Å; M777-N807 VanDerWaalsContact CE-O 3.25Å; M777-N807 WeakPolarHBondContact CE-O 3.4Å; N779-N807 WeakPolarHBondContact CA-OD1 3.45Å; N779-N807 WeakPolarHBondContact CB-OD1 3.32Å; N779-N807 VanDerWaalsContact OD1-CB 3.26Å; N779-N807 WeakPolarHBondContact OD1-CB 3.47Å; N779-N807 PolarHBondContact OD1-ND2 3.4Å; N779-N807 VanDerWaalsContact OD1-ND2 3.15Å; N780-N807 PolarHBondContact N-OD1 3.43Å
808	L	91	Very high	85.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.9	-169.6	-58.5	-176.2	0	0	0	111.8	L630 L705 M777 C778 V781 L783 A806 V810 Y817	L630-L808 HydrophobicContact CD1-CD1 3.44Å; L630-L808 VanDerWaalsContact CD1-CD1 3.44Å; L705-L808 HydrophobicContact CD1-CD2 3.97Å; L705-L808 HydrophobicContact CD2-CD2 3.89Å; L705-L808 HydrophobicContact CG-CD2 4.05Å; M777-L808 CarbonylContact C-O 3.59Å; M777-L808 WeakPolarHBondContact CA-O 3.35Å; C778-L808 PolarHBondContact N-O 2.66Å; C778-L808 PolarHBondContact O-N 2.94Å; V781-L808 HydrophobicContact CB-CD1 3.88Å; V781-L808 HydrophobicContact CB-CG 4.17Å; V781-L808 HydrophobicContact CG1-CD1 3.63Å; V781-L808 HydrophobicContact CG1-CG 4.43Å; V781-L808 HydrophobicContact CG2-CD1 4.22Å; V781-L808 HydrophobicContact CG2-CG 4.46Å; L783-L808 HydrophobicContact CD1-CD2 4.05Å; L783-L808 HydrophobicContact CD2-CD1 4.11Å; L783-L808 HydrophobicContact CD2-CD2 4.28Å; L783-L808 HydrophobicContact CG-CD2 4.45Å; A806-L808 HydrophobicContact CB-CD2 4.19Å; L808-V810 PolarHBondContact O-N 3.22Å; L808-Y817 HydrophobicContact CB-CE1 4.41Å; L808-Y817 HydrophobicContact CB-CE2 4.38Å; L808-Y817 HydrophobicContact CD1-CD1 4.18Å; L808-Y817 HydrophobicContact CD1-CD2 4.15Å; L808-Y817 HydrophobicContact CD1-CE1 4.3Å; L808-Y817 HydrophobicContact CD1-CE2 4.25Å; L808-Y817 HydrophobicContact CD1-CG 4.11Å; L808-Y817 HydrophobicContact CD2-CD1 4.07Å; L808-Y817 HydrophobicContact CD2-CE1 3.78Å; L808-Y817 HydrophobicContact CG-CE1 4.39Å
809	P	88.8	Confident	86.3	Confident	52 Å²	52	33.3 Å²	33.3	34%	0.338	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.9	172.6	28.2	-32.8	0	0	0	110.5	M777 Y817	M777-P809 HydrophobicContact CE-CB 4.46Å; M777-P809 HydrophobicContact SD-CB 3.89Å; P809-Y817 WeakPolarHBondContact CD-OH 3.27Å; P809-Y817 PolarHBondContact O-OH 2.99Å
810	V	88.4	Confident	86.3	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	20%	0.199	C	C	.	.			trans	-110	147.1	178.6	-69.6	0	0	0	0	111.2	L630 V632 L773 N776 C778 L808	L630-V810 HydrophobicContact CB-CG1 4.08Å; V632-V810 HydrophobicContact CG2-CB 4.44Å; V632-V810 HydrophobicContact CG2-CG2 3.99Å; L773-V810 HydrophobicContact CD1-CG2 3.7Å; N776-V810 WeakPolarHBondContact O-CG2 3.47Å; N776-V810 PolarHBondContact O-N 3.12Å; C778-V810 HydrophobicContact CB-CG1 3.75Å; C778-V810 HydrophobicContact CB-CG2 4.13Å; L808-V810 PolarHBondContact O-N 3.22Å
811	T	84.1	Confident	86.5	Confident	56 Å²	56	33.9 Å²	33.9	34%	0.344	20%	0.195	S	C	.	.			trans	-126.7	179.4	179.9	71.7	0	0	0	0	110.9	S631 V632 T813	S631-T811 WeakPolarHBondContact CA-O 3.38Å; S631-T811 WeakPolarHBondContact CB-O 3.43Å; V632-T811 PolarHBondContact N-O 3Å; T811-T813 CarbonylContact C-O 3.51Å; T811-T813 PolarHBondContact O-N 2.89Å; T811-T813 PolarHBondContact OG1-N 3.33Å; T811-T813 PolarHBondContact OG1-O 2.78Å; T811-T813 PolarHBondContact OG1-OG1 3.16Å
812	S	77.7	Confident	86.4	Confident	114 Å²	114	34 Å²	34	80%	0.797	20%	0.196	S	C	*	.	S	Bend	trans	-68.4	-22	168.4	48.9	0	0	0	0	112.7
813	T	74.5	Confident	86.5	Confident	97 Å²	97	32.6 Å²	32.6	60%	0.595	19%	0.189	S	C	*	.	S	Bend	trans	-86.5	147.8	166.9	37	0	0	0	0	111.3	T811	T811-T813 CarbonylContact C-O 3.51Å; T811-T813 PolarHBondContact O-N 2.89Å; T811-T813 PolarHBondContact OG1-N 3.33Å; T811-T813 PolarHBondContact OG1-O 2.78Å; T811-T813 PolarHBondContact OG1-OG1 3.16Å
814	E	77.7	Confident	86.1	Confident	129 Å²	129	38.2 Å²	38.2	60%	0.603	21%	0.214	S	C	*	.			trans	-71.3	128.3	176.7	-70.5	-171.7	137.4	0	0	111.9	V629 Q634	V629-E814 HydrophobicContact CG1-CB 3.58Å; V629-E814 HydrophobicContact CG1-CG 3.82Å; Q634-E814 PolarHBondContact NE2-OE1 3.3Å
815	T	78.2	Confident	85.7	Confident	41 Å²	41	38.2 Å²	38.2	25%	0.252	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.4	175.7	-55.3	0	0	0	0	109.3	L630 Y817	L630-T815 PolarHBondContact N-O 3.1Å; L630-T815 PolarHBondContact O-N 3.12Å; T815-Y817 HydrophobicContact CG2-CD2 4.09Å; T815-Y817 HydrophobicContact CG2-CE2 3.48Å; T815-Y817 VanDerWaalsContact CG2-CE2 3.48Å
816	T	76.6	Confident	85	Confident	53 Å²	53	39.1 Å²	39.1	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.6	176.2	-52	0	0	0	0	111.4	P627 M710	P627-T816 HydrophobicContact CB-CG2 4.11Å; M710-T816 HydrophobicContact CG-CG2 4.34Å; M710-T816 PolarHBondContact N-O 3.33Å
817	Y	85.3	Confident	84.2	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	172.7	170.3	-66.5	-88.1	0	0	0	110.5	P627 I628 L630 F708 T709 L808 P809 T815	P627-Y817 CarbonylContact C-O 3.55Å; P627-Y817 WeakPolarHBondContact CA-O 3.09Å; I628-Y817 PolarHBondContact N-O 3.09Å; I628-Y817 PolarHBondContact O-N 2.86Å; L630-Y817 HydrophobicContact CB-CD2 4.09Å; L630-Y817 HydrophobicContact CB-CE2 4.2Å; L630-Y817 HydrophobicContact CD1-CD2 4.06Å; L630-Y817 HydrophobicContact CD1-CE2 4.47Å; F708-Y817 CarbonylContact O-C 3.53Å; F708-Y817 VanDerWaalsContact O-CA 3.32Å; F708-Y817 WeakPolarHBondContact O-CA 3.42Å; T709-Y817 HydrophobicContact CG2-CD1 3.59Å; T709-Y817 HydrophobicContact CG2-CE1 3.34Å; L808-Y817 HydrophobicContact CB-CE1 4.41Å; L808-Y817 HydrophobicContact CB-CE2 4.38Å; L808-Y817 HydrophobicContact CD1-CD1 4.18Å; L808-Y817 HydrophobicContact CD1-CD2 4.15Å; L808-Y817 HydrophobicContact CD1-CE1 4.3Å; L808-Y817 HydrophobicContact CD1-CE2 4.25Å; L808-Y817 HydrophobicContact CD1-CG 4.11Å; L808-Y817 HydrophobicContact CD2-CD1 4.07Å; L808-Y817 HydrophobicContact CD2-CE1 3.78Å; L808-Y817 HydrophobicContact CG-CE1 4.39Å; P809-Y817 WeakPolarHBondContact CD-OH 3.27Å; P809-Y817 PolarHBondContact O-OH 2.99Å; T815-Y817 HydrophobicContact CG2-CD2 4.09Å; T815-Y817 HydrophobicContact CG2-CE2 3.48Å; T815-Y817 VanDerWaalsContact CG2-CE2 3.48Å
818	Y	79.8	Confident	82.9	Confident	8 Å²	8	37.9 Å²	37.9	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.5	172	-69.2	-69.9	0	0	0	111.9	R625 C626 P627 F708 M710 P884	R625-Y818 HydrophobicContact CB-CD1 4.27Å; C626-Y818 CarbonylContact O-C 3.53Å; C626-Y818 WeakPolarHBondContact O-CA 3.44Å; P627-Y818 HydrophobicContact CB-CD1 4.18Å; P627-Y818 HydrophobicContact CB-CE1 3.79Å; F708-Y818 WeakPolarHBondContact CD1-O 3.43Å; F708-Y818 PolarHBondContact O-N 2.93Å; M710-Y818 HydrophobicContact CG-CE2 3.66Å; M710-Y818 WeakPolarHBondContact CG-OH 3.48Å; M710-Y818 HydrophobicContact SD-CE2 3.69Å; M710-Y818 PolarHBondContact SD-OH 2.82Å; Y818-P884 VanDerWaalsContact CD1-O 3.27Å; Y818-P884 WeakPolarHBondContact CD1-O 3.49Å; Y818-P884 HydrophobicContact CD2-CB 4.35Å; Y818-P884 WeakPolarHBondContact CE1-O 3.39Å; Y818-P884 HydrophobicContact CE2-CB 4.3Å; Y818-P884 WeakPolarHBondContact CE2-O 3.21Å
819	Q	89.4	Confident	81.2	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.6	168.9	-55.6	-174.5	-72.6	0	0	109.3	R625 C626 I628 R657 V782 L783 Y821	R625-Q819 CarbonylContact C-O 3.59Å; R625-Q819 VanDerWaalsContact CA-O 3.28Å; R625-Q819 WeakPolarHBondContact CA-O 3.38Å; C626-Q819 PolarHBondContact N-O 3.14Å; C626-Q819 PolarHBondContact O-N 3.26Å; I628-Q819 HydrophobicContact CB-CG 4.36Å; I628-Q819 HydrophobicContact CG2-CG 3.85Å; R657-Q819 VanDerWaalsContact CB-OE1 3.25Å; R657-Q819 PolarHBondContact O-NE2 3.27Å; V782-Q819 PolarHBondContact O-NE2 3.21Å; L783-Q819 CarbonylContact O-C 3.56Å; L783-Q819 VanDerWaalsContact O-CA 3.27Å; L783-Q819 WeakPolarHBondContact O-CA 3.35Å; Q819-Y821 HydrophobicContact CB-CE2 3.81Å; Q819-Y821 PolarHBondContact OE1-OH 2.93Å
820	E	88	Confident	79	Confident	28 Å²	28	46.2 Å²	46.2	13%	0.131	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.7	176.1	-83.4	-174.3	170.4	0	0	112.5	T623 Y624 R625 F708 L783 K784 V785	T623-E820 HydrophobicContact CG2-CB 3.96Å; T623-E820 HydrophobicContact CG2-CG 3.86Å; Y624-E820 CarbonylContact O-C 3.57Å; Y624-E820 WeakPolarHBondContact O-CA 3.13Å; R625-E820 HydrophobicContact CG-CG 3.47Å; R625-E820 VanDerWaalsContact CG-CG 3.47Å; R625-E820 IonicContact CZ-OE1 2.83Å; R625-E820 IonicContact NE-OE1 2.75Å; R625-E820 PolarHBondContact NE-OE1 2.97Å; R625-E820 IonicContact NH2-OE1 3.85Å; R625-E820 PolarHBondContact NH2-OE1 2.88Å; F708-E820 HydrophobicContact CE1-CB 4.44Å; F708-E820 HydrophobicContact CE1-CG 4.24Å; L783-E820 PolarHBondContact O-N 2.76Å; K784-E820 CarbonylContact C-O 3.52Å; K784-E820 WeakPolarHBondContact CA-O 3.43Å; K784-E820 HydrophobicContact CB-CB 3.89Å; K784-E820 HydrophobicContact CD-CB 3.98Å; K784-E820 VanDerWaalsContact CD-OE2 3.26Å; K784-E820 WeakPolarHBondContact CD-OE2 3.44Å; K784-E820 WeakPolarHBondContact CE-OE2 3.33Å; K784-E820 HydrophobicContact CG-CB 3.59Å; V785-E820 PolarHBondContact N-O 3.4Å
821	Y	91.1	Very high	76.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.1	176.8	-60.5	-72.8	0	0	0	110.6	P602 T623 Y624 C626 Y663 V785 Q819	P602-Y821 HydrophobicContact CB-CE2 4.23Å; P602-Y821 HydrophobicContact CG-CD2 4.34Å; P602-Y821 HydrophobicContact CG-CE1 4.45Å; P602-Y821 HydrophobicContact CG-CE2 3.7Å; T623-Y821 VanDerWaalsContact CA-O 3.3Å; T623-Y821 WeakPolarHBondContact CA-O 3.37Å; Y624-Y821 WeakPolarHBondContact CD1-O 3.31Å; Y624-Y821 HydrophobicContact CD2-CD2 4.35Å; Y624-Y821 AromaticContact CE2-CD2 3.8Å; Y624-Y821 HydrophobicContact CE2-CD2 3.8Å; Y624-Y821 HydrophobicContact CE2-CG 4.15Å; Y624-Y821 VanDerWaalsContact CZ-CB 3.45Å; Y624-Y821 PolarHBondContact N-O 3.34Å; Y624-Y821 PolarHBondContact O-N 2.75Å; C626-Y821 HydrophobicContact CB-CE2 4.18Å; Y663-Y821 AromaticContact CE1-CE1 3.78Å; Y663-Y821 HydrophobicContact CE1-CE1 3.78Å; Y663-Y821 WeakPolarHBondContact OH-CE1 3.5Å; Y663-Y821 PolarHBondContact OH-OH 3.36Å; V785-Y821 HydrophobicContact CB-CD1 4.21Å; V785-Y821 HydrophobicContact CB-CE1 4.49Å; V785-Y821 HydrophobicContact CG2-CD1 4.45Å; V785-Y821 HydrophobicContact CG2-CE1 4.23Å; V785-Y821 WeakPolarHBondContact O-CA 3.4Å; Q819-Y821 HydrophobicContact CB-CE2 3.81Å; Q819-Y821 PolarHBondContact OE1-OH 2.93Å
822	S	88.5	Confident	73.7	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.028	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.6	170.1	82.9	0	0	0	0	112.7	V785 D786 Y787	V785-S822 PolarHBondContact O-N 3.5Å; D786-S822 PolarHBondContact OD1-OG 3.22Å; Y787-S822 PolarHBondContact N-O 2.89Å
823	V	92.4	Very high	71.2	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.6	178.4	175.9	0	0	0	0	110	L601 V615 G620 R621 F789 F825	L601-V823 HydrophobicContact CD1-CG2 3.48Å; L601-V823 VanDerWaalsContact CD1-CG2 3.48Å; V615-V823 HydrophobicContact CG1-CG1 4.02Å; V615-V823 HydrophobicContact CG1-CG2 4.46Å; V615-V823 HydrophobicContact CG2-CG2 4.44Å; G620-V823 CarbonylContact C-O 3.52Å; G620-V823 WeakPolarHBondContact CA-O 3.41Å; R621-V823 HydrophobicContact CB-CB 4.16Å; R621-V823 PolarHBondContact N-O 3.05Å; R621-V823 PolarHBondContact O-N 3.05Å; R621-V823 VanDerWaalsContact O-O 3.09Å; F789-V823 HydrophobicContact CD2-CG1 3.98Å; F789-V823 HydrophobicContact CE2-CG1 3.84Å; V823-F825 HydrophobicContact CG1-CD2 4.36Å; V823-F825 HydrophobicContact CG1-CE2 3.82Å; V823-F825 HydrophobicContact CG1-CZ 4.47Å
824	K	87	Confident	68.9	Low	117 Å²	117	62 Å²	62	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.6	174.5	-62.8	-178	-178.5	178.7	0	110.7	Y787 K788 F789	Y787-K824 PolarHBondContact O-N 3Å; K788-K824 CarbonylContact C-O 3.52Å; K788-K824 WeakPolarHBondContact CA-O 3.45Å; F789-K824 PolarHBondContact N-O 3.1Å
825	F	84.3	Confident	66.5	Low	18 Å²	18	62.7 Å²	62.7	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.4	169.5	-70.9	-91.7	0	0	0	108	L573 V615 E616 Y617 L618 F789 V823	L573-F825 HydrophobicContact CD1-CE1 4.45Å; L573-F825 HydrophobicContact CD1-CZ 4.28Å; V615-F825 HydrophobicContact CG1-CZ 4.4Å; E616-F825 VanDerWaalsContact O-CE2 3.28Å; E616-F825 WeakPolarHBondContact O-CE2 3.41Å; E616-F825 WeakPolarHBondContact O-CZ 3.43Å; Y617-F825 HydrophobicContact CD2-CD1 4.33Å; Y617-F825 AromaticContact CD2-CE1 3.86Å; Y617-F825 HydrophobicContact CD2-CE1 3.86Å; Y617-F825 HydrophobicContact CE2-CD1 4.48Å; Y617-F825 HydrophobicContact CE2-CE1 4.4Å; L618-F825 HydrophobicContact CD2-CB 4.11Å; L618-F825 HydrophobicContact CD2-CD1 4.24Å; L618-F825 HydrophobicContact CD2-CG 4.23Å; F789-F825 HydrophobicContact CB-CD1 3.64Å; F789-F825 HydrophobicContact CB-CE1 3.69Å; F789-F825 HydrophobicContact CB-CG 4.41Å; F789-F825 HydrophobicContact CB-CZ 4.5Å; F789-F825 HydrophobicContact CD2-CD1 4.4Å; F789-F825 AromaticContact CD2-CE1 3.87Å; F789-F825 HydrophobicContact CD2-CE1 3.87Å; F789-F825 HydrophobicContact CD2-CE2 4.35Å; F789-F825 AromaticContact CD2-CZ 3.84Å; F789-F825 HydrophobicContact CD2-CZ 3.84Å; F789-F825 HydrophobicContact CG-CD1 4.43Å; F789-F825 HydrophobicContact CG-CE1 4.04Å; F789-F825 HydrophobicContact CG-CZ 4.46Å; F789-F825 CarbonylContact O-C 3.55Å; F789-F825 WeakPolarHBondContact O-CA 3.32Å; V823-F825 HydrophobicContact CG1-CD2 4.36Å; V823-F825 HydrophobicContact CG1-CE2 3.82Å; V823-F825 HydrophobicContact CG1-CZ 4.47Å
826	I	78.8	Confident	64.2	Low	22 Å²	22	66 Å²	66	11%	0.113	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.2	-175.2	-61.5	178.3	0	0	0	107.4	I547 D549 K788 F789 V790 W791	I547-I826 HydrophobicContact CB-CG2 4.44Å; I547-I826 HydrophobicContact CG2-CG2 3.73Å; D549-I826 HydrophobicContact CB-CG2 3.93Å; K788-I826 HydrophobicContact CB-CD1 3.98Å; K788-I826 HydrophobicContact CD-CD1 4.23Å; K788-I826 HydrophobicContact CG-CD1 4.36Å; F789-I826 PolarHBondContact O-N 3.07Å; V790-I826 WeakPolarHBondContact CA-O 3.34Å; W791-I826 PolarHBondContact N-O 3.02Å
827	H	74.9	Confident	62	Low	8 Å²	8	68.7 Å²	68.7	4%	0.037	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.3	179.9	-175.2	-106.4	0	0	0	111.3	D549 S550 V552 W791	D549-H827 PolarHBondContact OD1-N 3.08Å; S550-H827 WeakPolarHBondContact CB-O 3.32Å; S550-H827 PolarHBondContact N-O 2.9Å; S550-H827 PolarHBondContact OG-ND1 3.14Å; S550-H827 PolarHBondContact OG-O 3.24Å; V552-H827 VanDerWaalsContact O-CB 3.25Å; V552-H827 WeakPolarHBondContact O-CB 3.5Å; W791-H827 HydrophobicContact CD2-CB 4.47Å; W791-H827 AromaticContact CD2-CD2 3.67Å; W791-H827 AromaticContact CE2-CD2 3.62Å; W791-H827 AromaticContact CE3-CD2 3.52Å; W791-H827 AromaticContact CH2-CD2 3.43Å; W791-H827 VanDerWaalsContact CH2-CD2 3.43Å; W791-H827 WeakPolarHBondContact CH2-CD2 3.37Å; W791-H827 HydrophobicContact CZ2-CB 3.78Å; W791-H827 AromaticContact CZ2-CD2 3.52Å; W791-H827 AromaticContact CZ2-CG 3.86Å; W791-H827 AromaticContact CZ3-CD2 3.42Å; W791-H827 VanDerWaalsContact CZ3-CD2 3.42Å; W791-H827 WeakPolarHBondContact CZ3-CD2 3.48Å; W791-H827 AromaticContact CZ3-NE2 3.9Å; W791-H827 WeakPolarHBondContact O-CA 3.43Å; W791-H827 PolarHBondContact O-CD2 2.94Å; W791-H827 VanDerWaalsContact O-CD2 3.27Å
828	T	63.3	Low	59.7	Low	38 Å²	38	76.4 Å²	76.4	23%	0.233	39%	0.393	C	S	.	.			trans	-119.7	112.4	175.4	51	0	0	0	0	110.3	I547 V790 W791 S792	I547-T828 HydrophobicContact CG2-CG2 3.54Å; V790-T828 HydrophobicContact CG1-CG2 3.58Å; V790-T828 WeakPolarHBondContact CG1-OG1 3.44Å; W791-T828 PolarHBondContact O-N 3.01Å; S792-T828 WeakPolarHBondContact CB-O 3.4Å
829	T	55.8	Low	57.6	Low	85 Å²	85	81.2 Å²	81.2	52%	0.521	42%	0.419	S	S	.	.			trans	-65.7	147.8	158.6	48.5	0	0	0	0	109.3
830	E	43.1	Very low	55.1	Low	143 Å²	143	84.8 Å²	84.8	67%	0.668	44%	0.442	S	S	*	.			trans	-63.2	142	160.6	-70.1	-161.3	116.1	0	0	108.6	R480 D832	R480-E830 IonicContact CZ-OE1 3.47Å; R480-E830 IonicContact NH1-OE1 2.69Å; R480-E830 PolarHBondContact NH1-OE1 3Å; E830-D832 VanDerWaalsContact C-N 3.35Å; E830-D832 PolarHBondContact O-N 2.77Å
831	V	34.1	Very low	52.9	Low	117 Å²	117	84.9 Å²	84.9	71%	0.709	45%	0.446	S	S	*	.			trans	-84.8	80.5	-169.1	-172.6	0	0	0	0	110.2	N833	V831-N833 PolarHBondContact O-N 3.25Å; V831-N833 PolarHBondContact O-ND2 3.29Å
832	D	26.4	Very low	51	Low	149 Å²	149	88.3 Å²	88.3	80%	0.797	46%	0.462	S	S	*	.			trans	-59	126	150.2	-90.9	-40	0	0	0	108	E830 E834	E830-D832 VanDerWaalsContact C-N 3.35Å; E830-D832 PolarHBondContact O-N 2.77Å; D832-E834 PolarHBondContact O-N 2.94Å
833	N	25	Very low	49.5	Very low	149 Å²	149	90.8 Å²	90.8	80%	0.797	48%	0.475	S	S	*	.			trans	-80.4	57.7	-172.3	-76.3	-87.6	0	0	0	111.9	V831	V831-N833 PolarHBondContact O-N 3.25Å; V831-N833 PolarHBondContact O-ND2 3.29Å
834	E	26.1	Very low	48.2	Very low	186 Å²	186	97.1 Å²	97.1	87%	0.869	50%	0.499	S	S	*	.			trans	-72.6	132.9	165.9	-70.9	-142.5	121.5	0	0	110.5	D832 D836	D832-E834 PolarHBondContact O-N 2.94Å; E834-D836 PolarHBondContact O-N 3.03Å
835	I	27.5	Very low	47.8	Very low	142 Å²	142	91.7 Å²	91.7	73%	0.728	48%	0.476	S	S	*	.			trans	-71.1	129.4	-167.7	-62.1	166.3	0	0	0	109.9	T837	I835-T837 HydrophobicContact CG2-CG2 4.27Å; I835-T837 PolarHBondContact O-N 3.13Å; I835-T837 PolarHBondContact O-OG1 2.81Å; I835-T837 VanDerWaalsContact O-OG1 3.05Å
836	D	29.8	Very low	47.6	Very low	112 Å²	112	91 Å²	91	60%	0.599	47%	0.473	S	S	*	.			trans	-58.3	79.8	178.1	-174.7	15	0	0	0	112.5	E834 K838	E834-D836 PolarHBondContact O-N 3.03Å; D836-K838 PolarHBondContact O-N 3.06Å; D836-K838 WeakPolarHBondContact OD1-CD 3.33Å; D836-K838 VanDerWaalsContact OD1-CE 3.26Å; D836-K838 WeakPolarHBondContact OD1-CE 3.35Å; D836-K838 WeakPolarHBondContact OD1-CG 3.48Å; D836-K838 IonicContact OD1-NZ 3.63Å; D836-K838 PolarHBondContact OD1-NZ 2.88Å; D836-K838 IonicContact OD2-NZ 2.93Å; D836-K838 PolarHBondContact OD2-NZ 2.73Å
837	T	31.9	Very low	47.6	Very low	108 Å²	108	93 Å²	93	66%	0.663	48%	0.482	S	S	*	.			trans	-99.9	62.2	178.7	41.8	0	0	0	0	108.9	I835 L839	I835-T837 HydrophobicContact CG2-CG2 4.27Å; I835-T837 PolarHBondContact O-N 3.13Å; I835-T837 PolarHBondContact O-OG1 2.81Å; I835-T837 VanDerWaalsContact O-OG1 3.05Å; T837-L839 PolarHBondContact O-N 2.87Å
838	K	36	Very low	47.6	Very low	167 Å²	167	94.9 Å²	94.9	73%	0.726	49%	0.492	S	S	*	.			trans	-56.2	77.7	172.5	-91.1	163.1	-171.2	124	0	112.9	D836	D836-K838 PolarHBondContact O-N 3.06Å; D836-K838 WeakPolarHBondContact OD1-CD 3.33Å; D836-K838 VanDerWaalsContact OD1-CE 3.26Å; D836-K838 WeakPolarHBondContact OD1-CE 3.35Å; D836-K838 WeakPolarHBondContact OD1-CG 3.48Å; D836-K838 IonicContact OD1-NZ 3.63Å; D836-K838 PolarHBondContact OD1-NZ 2.88Å; D836-K838 IonicContact OD2-NZ 2.93Å; D836-K838 PolarHBondContact OD2-NZ 2.73Å
839	L	35.2	Very low	48.2	Very low	109 Å²	109	95.2 Å²	95.2	57%	0.571	49%	0.493	S	S	*	.			trans	-69.9	128.7	148.4	-154.7	74	0	0	0	106.5	T837 S841	T837-L839 PolarHBondContact O-N 2.87Å; L839-S841 PolarHBondContact O-N 2.86Å
840	P	37.7	Very low	49.3	Very low	76 Å²	76	92.7 Å²	92.7	49%	0.494	48%	0.476	S	S	.	.			trans	-70.8	95.8	-173.8	26.8	-34.4	0	0	0	111.5	H842 L843	P840-H842 VanDerWaalsContact C-N 3.32Å; P840-H842 PolarHBondContact O-N 2.84Å; P840-L843 VanDerWaalsContact O-CB 3.28Å; P840-L843 WeakPolarHBondContact O-CB 3.45Å; P840-L843 PolarHBondContact O-N 2.85Å
841	S	42.1	Very low	51.3	Low	31 Å²	31	90.3 Å²	90.3	22%	0.217	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-56.9	-40.8	178.6	48.2	0	0	0	0	113.1	L839 L843 Y844 E847	L839-S841 PolarHBondContact O-N 2.86Å; S841-L843 PolarHBondContact O-N 2.85Å; S841-Y844 PolarHBondContact O-N 3.04Å; S841-E847 WeakPolarHBondContact CB-OE1 3.41Å; S841-E847 PolarHBondContact OG-OE1 2.81Å
842	H	50.8	Low	53.8	Low	71 Å²	71	85 Å²	85	33%	0.329	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-58.6	-2.9	176.7	-45.2	-80.3	0	0	0	115	P840 E847 D850 P942	P840-H842 VanDerWaalsContact C-N 3.32Å; P840-H842 PolarHBondContact O-N 2.84Å; H842-E847 IonicContact CE1-OE2 2.64Å; H842-D850 IonicContact CE1-OD1 2.66Å; H842-D850 PolarHBondContact CE1-OD1 2.81Å; H842-D850 VanDerWaalsContact CE1-OD1 3.31Å; H842-D850 IonicContact CE1-OD2 3.26Å; H842-D850 IonicContact ND1-OD1 3.39Å; H842-D850 PolarHBondContact ND1-OD1 2.86Å; H842-D850 IonicContact ND1-OD2 2.69Å; H842-D850 PolarHBondContact ND1-OD2 3.37Å; H842-P942 HydrophobicContact CB-CB 4.29Å; H842-P942 HydrophobicContact CB-CG 4.2Å; H842-P942 WeakPolarHBondContact O-CB 3.43Å; H842-P942 WeakPolarHBondContact O-CG 3.42Å
843	L	57.6	Low	56.8	Low	57 Å²	57	79.7 Å²	79.7	30%	0.298	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-70.6	-29.7	177.4	-175.5	59.4	0	0	0	113.1	P840 S841 Q943	P840-L843 VanDerWaalsContact O-CB 3.28Å; P840-L843 WeakPolarHBondContact O-CB 3.45Å; P840-L843 PolarHBondContact O-N 2.85Å; S841-L843 PolarHBondContact O-N 2.85Å; L843-Q943 HydrophobicContact CD1-CB 4.29Å; L843-Q943 HydrophobicContact CD1-CG 4.41Å
844	Y	65.4	Low	59.9	Low	134 Å²	134	72.6 Å²	72.6	53%	0.525	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-1.2	-170.6	-63.8	-65.4	0	0	0	115.7	S841 Q1004	S841-Y844 PolarHBondContact O-N 3.04Å; Y844-Q1004 PolarHBondContact O-NE2 3.1Å
845	G	77.8	Confident	62.8	Low	3 Å²	3	63.9 Å²	63.9	3%	0.031	33%	0.328	C	S	.	.	S	Bend	trans	-168.9	167.4	178.3	0	0	0	0	0	112.1	P942 R1003	G845-P942 VanDerWaalsContact C-CD 3.48Å; G845-P942 WeakPolarHBondContact O-CD 3.24Å; G845-P942 WeakPolarHBondContact O-CG 3.47Å; G845-R1003 CarbonylContact C-O 3.58Å; G845-R1003 WeakPolarHBondContact CA-O 3.05Å
846	Y	81.4	Confident	65.7	Low	3 Å²	3	60.2 Å²	60.2	1%	0.012	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-86.6	136.8	173.7	-79.3	-71.2	0	0	0	111.6	D850 L851 I852 I853 F898 P942 R1003 I1005	Y846-D850 HydrophobicContact CD1-CB 3.85Å; Y846-L851 WeakPolarHBondContact CE1-O 3.42Å; Y846-I852 HydrophobicContact CE1-CG1 4.44Å; Y846-I853 PolarHBondContact OH-N 2.68Å; Y846-F898 VanDerWaalsContact CB-CD2 3.43Å; Y846-F898 HydrophobicContact CD1-CB 4.07Å; Y846-F898 HydrophobicContact CD1-CD2 4.27Å; Y846-F898 HydrophobicContact CD1-CG 4.27Å; Y846-F898 AromaticContact CD2-CD2 3.71Å; Y846-F898 HydrophobicContact CD2-CD2 3.71Å; Y846-F898 HydrophobicContact CD2-CE2 4.04Å; Y846-F898 HydrophobicContact CD2-CG 4.43Å; Y846-F898 HydrophobicContact CG-CB 4.12Å; Y846-F898 AromaticContact CG-CD2 3.55Å; Y846-F898 HydrophobicContact CG-CD2 3.55Å; Y846-F898 HydrophobicContact CG-CE2 4.15Å; Y846-F898 AromaticContact CG-CG 3.8Å; Y846-F898 HydrophobicContact CG-CG 3.8Å; Y846-P942 HydrophobicContact CD1-CG 3.57Å; Y846-P942 HydrophobicContact CE1-CB 4.22Å; Y846-P942 HydrophobicContact CE1-CG 3.63Å; Y846-P942 HydrophobicContact CG-CG 4.12Å; Y846-R1003 PolarHBondContact N-O 3.02Å; Y846-I1005 HydrophobicContact CD2-CD1 4.2Å; Y846-I1005 HydrophobicContact CD2-CG1 4.1Å; Y846-I1005 HydrophobicContact CE2-CD1 3.81Å; Y846-I1005 HydrophobicContact CE2-CG1 4.09Å
847	E	77.7	Confident	68.4	Low	64 Å²	64	55.6 Å²	55.6	30%	0.299	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-88.8	170.4	163.8	-61.7	-170	175.2	0	0	110.9	S841 H842 D850 F898	S841-E847 WeakPolarHBondContact CB-OE1 3.41Å; S841-E847 PolarHBondContact OG-OE1 2.81Å; H842-E847 IonicContact CE1-OE2 2.64Å; E847-D850 PolarHBondContact N-OD2 2.96Å; E847-D850 WeakPolarHBondContact O-CB 3.42Å; E847-F898 WeakPolarHBondContact O-CB 3.4Å; E847-F898 VanDerWaalsContact O-CD1 3.27Å; E847-F898 WeakPolarHBondContact O-CD1 3.33Å
848	L	75.8	Confident	70.8	Confident	49 Å²	49	53.7 Å²	53.7	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	144.9	174.6	-62.8	177.3	0	0	0	109.8	R553 D850	R553-L848 HydrophobicContact CB-CD1 4.29Å; R553-L848 HydrophobicContact CG-CD1 3.78Å; L848-D850 PolarHBondContact O-N 2.99Å; L848-D850 VanDerWaalsContact O-N 3.17Å
849	D	74.8	Confident	72.7	Confident	44 Å²	44	47.5 Å²	47.5	24%	0.235	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-4.6	-174.6	-85.9	-66.7	0	0	0	116.4	R553 F898 K900	R553-D849 IonicContact NH2-OD2 3.88Å; R553-D849 PolarHBondContact NH2-OD2 2.87Å; R553-D849 VanDerWaalsContact NH2-OD2 3.08Å; D849-F898 PolarHBondContact N-O 3.1Å; D849-F898 VanDerWaalsContact N-O 3.1Å; D849-K900 VanDerWaalsContact OD1-CE 3.26Å; D849-K900 WeakPolarHBondContact OD1-CE 3.36Å; D849-K900 IonicContact OD1-NZ 3.81Å; D849-K900 PolarHBondContact OD1-NZ 3.5Å; D849-K900 WeakPolarHBondContact OD2-CE 3.2Å; D849-K900 IonicContact OD2-NZ 2.71Å; D849-K900 PolarHBondContact OD2-NZ 2.81Å
850	D	80.2	Confident	74.1	Confident	33 Å²	33	47.6 Å²	47.6	18%	0.176	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-55.4	145.8	171.1	-94.4	-16.4	0	0	0	111.8	H842 Y846 E847 L848 I852 K897 F898	H842-D850 IonicContact CE1-OD1 2.66Å; H842-D850 PolarHBondContact CE1-OD1 2.81Å; H842-D850 VanDerWaalsContact CE1-OD1 3.31Å; H842-D850 IonicContact CE1-OD2 3.26Å; H842-D850 IonicContact ND1-OD1 3.39Å; H842-D850 PolarHBondContact ND1-OD1 2.86Å; H842-D850 IonicContact ND1-OD2 2.69Å; H842-D850 PolarHBondContact ND1-OD2 3.37Å; Y846-D850 HydrophobicContact CD1-CB 3.85Å; E847-D850 PolarHBondContact N-OD2 2.96Å; E847-D850 WeakPolarHBondContact O-CB 3.42Å; L848-D850 PolarHBondContact O-N 2.99Å; L848-D850 VanDerWaalsContact O-N 3.17Å; D850-I852 PolarHBondContact O-N 2.98Å; D850-K897 CarbonylContact O-C 3.53Å; D850-K897 VanDerWaalsContact O-CA 3.29Å; D850-K897 WeakPolarHBondContact O-CA 3.44Å; D850-F898 HydrophobicContact CB-CB 4.4Å; D850-F898 PolarHBondContact O-N 3.34Å
851	L	83.6	Confident	75.5	Confident	92 Å²	92	46.6 Å²	46.6	48%	0.482	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-72.8	121.9	174	-70.8	176.5	0	0	0	111.1	Y846 I853 Q895 K897	Y846-L851 WeakPolarHBondContact CE1-O 3.42Å; L851-I853 PolarHBondContact O-N 3.32Å; L851-Q895 HydrophobicContact CD2-CB 3.93Å; L851-K897 HydrophobicContact CD2-CG 4.23Å
852	I	88.1	Confident	76.1	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-73.4	128.1	173.2	-70.9	177.4	0	0	0	109	Y846 D850 T854 L896 F898 I938 I989 I1005	Y846-I852 HydrophobicContact CE1-CG1 4.44Å; D850-I852 PolarHBondContact O-N 2.98Å; I852-T854 HydrophobicContact CG2-CG2 4.23Å; I852-L896 HydrophobicContact CB-CB 3.73Å; I852-L896 HydrophobicContact CD1-CB 4.39Å; I852-L896 HydrophobicContact CG2-CB 4.12Å; I852-L896 HydrophobicContact CG2-CD1 4.05Å; I852-L896 PolarHBondContact N-O 2.78Å; I852-F898 HydrophobicContact CD1-CB 4.28Å; I852-F898 HydrophobicContact CD1-CD2 4.3Å; I852-F898 HydrophobicContact CG1-CB 3.99Å; I852-F898 HydrophobicContact CG1-CD2 4.39Å; I852-I938 HydrophobicContact CG2-CD1 3.57Å; I852-I938 HydrophobicContact CG2-CG1 3.58Å; I852-I989 HydrophobicContact CD1-CD1 3.72Å; I852-I1005 HydrophobicContact CD1-CD1 3.97Å; I852-I1005 HydrophobicContact CG1-CD1 4.19Å; I852-I1005 HydrophobicContact CG2-CD1 4.22Å
853	I	88	Confident	76.6	Confident	38 Å²	38	56.9 Å²	56.9	20%	0.195	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-88.8	133.4	176.7	-51.9	-175.7	0	0	0	108.6	Y846 L851 T869 A939 P942 W952	Y846-I853 PolarHBondContact OH-N 2.68Å; L851-I853 PolarHBondContact O-N 3.32Å; I853-T869 HydrophobicContact CG2-CG2 4.14Å; I853-A939 HydrophobicContact CB-CB 3.94Å; I853-A939 WeakPolarHBondContact O-CB 3.5Å; I853-A939 PolarHBondContact O-N 2.82Å; I853-P942 WeakPolarHBondContact CD1-O 2.96Å; I853-W952 HydrophobicContact CG2-CH2 3.78Å; I853-W952 HydrophobicContact CG2-CZ3 4.25Å
854	T	89.9	Confident	77.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	174	171.1	60.9	0	0	0	0	110.4	I852 N870 L896 S935 V937 I938	I852-T854 HydrophobicContact CG2-CG2 4.23Å; T854-N870 VanDerWaalsContact C-OD1 3.29Å; T854-N870 PolarHBondContact N-ND2 2.75Å; T854-N870 PolarHBondContact O-N 3.38Å; T854-N870 PolarHBondContact O-OD1 2.85Å; T854-N870 PolarHBondContact OG1-ND2 2.82Å; T854-N870 PolarHBondContact OG1-OD1 2.7Å; T854-L896 HydrophobicContact CG2-CD1 3.75Å; T854-S935 VanDerWaalsContact CB-OG 3.32Å; T854-S935 WeakPolarHBondContact CB-OG 3.36Å; T854-S935 PolarHBondContact OG1-OG 3.09Å; T854-V937 CarbonylContact C-O 3.58Å; T854-V937 WeakPolarHBondContact CA-O 3.34Å; T854-V937 VanDerWaalsContact CB-O 3.22Å; T854-V937 WeakPolarHBondContact CB-O 3.43Å; T854-I938 HydrophobicContact CG2-CB 4.23Å; T854-I938 HydrophobicContact CG2-CG1 4.06Å
855	G	88.5	Confident	77.7	Confident	3 Å²	3	57.5 Å²	57.5	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	-172.9	176	0	0	0	0	0	114.6	Q868 S935 E936 V937	G855-Q868 WeakPolarHBondContact CA-O 3.42Å; G855-S935 WeakPolarHBondContact O-CB 3.3Å; G855-E936 PolarHBondContact O-N 2.73Å; G855-V937 PolarHBondContact N-O 2.81Å; G855-V937 WeakPolarHBondContact O-CG2 3.26Å; G855-V937 PolarHBondContact O-N 2.8Å; G855-V937 VanDerWaalsContact O-N 3.14Å
856	Q	87.8	Confident	78	Confident	65 Å²	65	61.1 Å²	61.1	30%	0.304	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.6	174.2	-67	-174.2	-23.3	0	0	110.4	T858 V867 Q868 P934 E936	Q856-T858 PolarHBondContact O-N 2.91Å; Q856-V867 WeakPolarHBondContact O-CA 3.34Å; Q856-Q868 PolarHBondContact N-O 3.33Å; Q856-Q868 VanDerWaalsContact N-O 3.12Å; Q856-Q868 PolarHBondContact O-N 3.16Å; Q856-P934 PolarHBondContact NE2-O 2.85Å; Q856-E936 HydrophobicContact CG-CG 4.36Å
857	V	85.6	Confident	78.2	Confident	16 Å²	16	61 Å²	61	10%	0.097	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	91.2	-170.6	-173.8	0	0	0	0	110.1	S859 T860 F865 V867 E936 V937 F954	V857-S859 WeakPolarHBondContact CG1-O 3.48Å; V857-S859 PolarHBondContact O-N 2.89Å; V857-T860 HydrophobicContact CB-CG2 4.37Å; V857-T860 HydrophobicContact CG1-CG2 3.68Å; V857-F865 HydrophobicContact CG1-CD2 4.06Å; V857-F865 HydrophobicContact CG1-CE2 3.72Å; V857-F865 HydrophobicContact CG2-CE2 4.22Å; V857-F865 HydrophobicContact CG2-CZ 4.5Å; V857-V867 HydrophobicContact CG2-CG2 4.5Å; V857-E936 PolarHBondContact N-OE2 3.06Å; V857-V937 HydrophobicContact CG2-CB 4.36Å; V857-V937 HydrophobicContact CG2-CG1 3.49Å; V857-V937 VanDerWaalsContact CG2-CG1 3.49Å; V857-V937 HydrophobicContact CG2-CG2 3.91Å; V857-F954 HydrophobicContact CG2-CE1 3.83Å; V857-F954 HydrophobicContact CG2-CZ 4.21Å
858	T	82.2	Confident	78.4	Confident	68 Å²	68	62.2 Å²	62.2	42%	0.417	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-21.1	-178	61.8	0	0	0	0	114.3	Q856 L866 Q868	Q856-T858 PolarHBondContact O-N 2.91Å; T858-L866 PolarHBondContact N-O 3.33Å; T858-L866 WeakPolarHBondContact OG1-CB 3.15Å; T858-L866 PolarHBondContact OG1-O 2.84Å; T858-Q868 HydrophobicContact CG2-CB 4.23Å; T858-Q868 VanDerWaalsContact CG2-CD 3.48Å; T858-Q868 HydrophobicContact CG2-CG 3.63Å
859	S	76.4	Confident	78.7	Confident	36 Å²	36	60.1 Å²	60.1	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	124.9	170.2	159.1	0	0	0	0	110	V857 S861 R864 F865 L866	V857-S859 WeakPolarHBondContact CG1-O 3.48Å; V857-S859 PolarHBondContact O-N 2.89Å; S859-S861 PolarHBondContact OG-OG 3.14Å; S859-S861 VanDerWaalsContact OG-OG 3.11Å; S859-R864 WeakPolarHBondContact CB-O 3.5Å; S859-R864 PolarHBondContact OG-O 3.35Å; S859-F865 WeakPolarHBondContact O-CA 3.1Å; S859-L866 PolarHBondContact O-N 2.63Å
860	T	64.3	Low	78.3	Confident	111 Å²	111	58.5 Å²	58.5	68%	0.681	31%	0.306	S	S	*	.			trans	-92.7	0.6	179.5	50.3	0	0	0	0	113.5	V857	V857-T860 HydrophobicContact CB-CG2 4.37Å; V857-T860 HydrophobicContact CG1-CG2 3.68Å
861	S	67.3	Low	77.5	Confident	56 Å²	56	62.6 Å²	62.6	39%	0.392	33%	0.328	S	S	.	.			trans	-73	132.3	179.5	66.3	0	0	0	0	111	S859 Q863 R864 F865	S859-S861 PolarHBondContact OG-OG 3.14Å; S859-S861 VanDerWaalsContact OG-OG 3.11Å; S861-Q863 PolarHBondContact O-N 2.92Å; S861-R864 CarbonylContact O-C 3.44Å; S861-R864 PolarHBondContact O-N 2.76Å; S861-F865 PolarHBondContact O-N 3.07Å
862	T	55.9	Low	76.4	Confident	135 Å²	135	63.7 Å²	63.7	83%	0.828	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.9	-175	51	0	0	0	0	114.7
863	Q	59.4	Low	75.2	Confident	183 Å²	183	65 Å²	65	86%	0.855	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.6	174.8	-65	-177.1	-8.4	0	0	113.8	S861	S861-Q863 PolarHBondContact O-N 2.92Å
864	R	68.7	Low	74	Confident	192 Å²	192	71.4 Å²	71.4	73%	0.725	37%	0.373	S	S	*	.	S	Bend	trans	-149.8	50.7	-178.6	-58.2	-177.8	-176.3	158.8	1.6	110.3	S859 S861 L866	S859-R864 WeakPolarHBondContact CB-O 3.5Å; S859-R864 PolarHBondContact OG-O 3.35Å; S861-R864 CarbonylContact O-C 3.44Å; S861-R864 PolarHBondContact O-N 2.76Å; R864-L866 PolarHBondContact O-N 3.37Å
865	F	78.8	Confident	73	Confident	12 Å²	12	74 Å²	74	5%	0.053	39%	0.387	C	S	.	.			trans	-62.9	131.9	168.9	-177.6	-102.4	0	0	0	108.2	V857 S859 S861 V867 T947 S948 P949 W952 F954	V857-F865 HydrophobicContact CG1-CD2 4.06Å; V857-F865 HydrophobicContact CG1-CE2 3.72Å; V857-F865 HydrophobicContact CG2-CE2 4.22Å; V857-F865 HydrophobicContact CG2-CZ 4.5Å; S859-F865 WeakPolarHBondContact O-CA 3.1Å; S861-F865 PolarHBondContact O-N 3.07Å; F865-V867 HydrophobicContact CD1-CG2 4.38Å; F865-V867 HydrophobicContact CE1-CG2 3.42Å; F865-V867 VanDerWaalsContact CE1-CG2 3.42Å; F865-V867 HydrophobicContact CE2-CG2 4.37Å; F865-V867 HydrophobicContact CZ-CG2 3.42Å; F865-V867 VanDerWaalsContact CZ-CG2 3.42Å; F865-T947 WeakPolarHBondContact O-CA 3.44Å; F865-S948 VanDerWaalsContact CD1-C 3.49Å; F865-S948 VanDerWaalsContact CE1-O 3.31Å; F865-S948 WeakPolarHBondContact CE1-O 3.43Å; F865-P949 HydrophobicContact CB-CB 4.32Å; F865-P949 HydrophobicContact CD1-CB 4.01Å; F865-P949 HydrophobicContact CD2-CB 3.93Å; F865-P949 HydrophobicContact CE1-CB 4.25Å; F865-P949 HydrophobicContact CE2-CB 4.19Å; F865-P949 HydrophobicContact CG-CB 3.82Å; F865-P949 HydrophobicContact CZ-CB 4.34Å; F865-W952 HydrophobicContact CE1-CB 4.5Å; F865-W952 AromaticContact CE1-CD1 3.72Å; F865-W952 HydrophobicContact CE1-CG 4.22Å; F865-W952 HydrophobicContact CZ-CB 4.21Å; F865-W952 HydrophobicContact CZ-CG 4.31Å; F865-F954 HydrophobicContact CE2-CZ 4.19Å
866	L	84.2	Confident	72.5	Confident	78 Å²	78	77.7 Å²	77.7	41%	0.408	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	114.8	179.9	-175.9	64	0	0	0	111.9	T858 S859 R864 K946 T947	T858-L866 PolarHBondContact N-O 3.33Å; T858-L866 WeakPolarHBondContact OG1-CB 3.15Å; T858-L866 PolarHBondContact OG1-O 2.84Å; S859-L866 PolarHBondContact O-N 2.63Å; R864-L866 PolarHBondContact O-N 3.37Å; L866-K946 WeakPolarHBondContact CA-O 3.4Å; L866-T947 HydrophobicContact CD1-CG2 4.29Å
867	V	85.1	Confident	72.5	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.006	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.5	174.7	-176.8	0	0	0	0	110.3	Q856 V857 F865 T869 V937 K946 W952	Q856-V867 WeakPolarHBondContact O-CA 3.34Å; V857-V867 HydrophobicContact CG2-CG2 4.5Å; F865-V867 HydrophobicContact CD1-CG2 4.38Å; F865-V867 HydrophobicContact CE1-CG2 3.42Å; F865-V867 VanDerWaalsContact CE1-CG2 3.42Å; F865-V867 HydrophobicContact CE2-CG2 4.37Å; F865-V867 HydrophobicContact CZ-CG2 3.42Å; F865-V867 VanDerWaalsContact CZ-CG2 3.42Å; V867-T869 HydrophobicContact CG1-CG2 4.5Å; V867-V937 HydrophobicContact CG1-CG2 3.7Å; V867-V937 HydrophobicContact CG2-CG2 3.96Å; V867-K946 PolarHBondContact N-O 2.97Å; V867-W952 HydrophobicContact CB-CD2 4.39Å; V867-W952 HydrophobicContact CB-CZ2 4.17Å; V867-W952 HydrophobicContact CG1-CD2 4.24Å; V867-W952 HydrophobicContact CG1-CE3 4.09Å; V867-W952 HydrophobicContact CG1-CH2 3.86Å; V867-W952 HydrophobicContact CG1-CZ2 4Å; V867-W952 HydrophobicContact CG1-CZ3 3.9Å; V867-W952 HydrophobicContact CG2-CD2 3.9Å; V867-W952 HydrophobicContact CG2-CE3 4.43Å; V867-W952 HydrophobicContact CG2-CG 4.06Å
868	Q	82	Confident	72.6	Confident	89 Å²	89	74 Å²	74	42%	0.416	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129	161.7	-79.1	178.7	-12.7	0	0	109	G855 Q856 T858 T873	G855-Q868 WeakPolarHBondContact CA-O 3.42Å; Q856-Q868 PolarHBondContact N-O 3.33Å; Q856-Q868 VanDerWaalsContact N-O 3.12Å; Q856-Q868 PolarHBondContact O-N 3.16Å; T858-Q868 HydrophobicContact CG2-CB 4.23Å; T858-Q868 VanDerWaalsContact CG2-CD 3.48Å; T858-Q868 HydrophobicContact CG2-CG 3.63Å; Q868-T873 HydrophobicContact CB-CG2 4.02Å
869	T	81.1	Confident	72.7	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.031	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	166.6	-174.9	70.2	0	0	0	0	113.3	I853 V867 D871 E872 T873 K946 W952	I853-T869 HydrophobicContact CG2-CG2 4.14Å; V867-T869 HydrophobicContact CG1-CG2 4.5Å; T869-D871 PolarHBondContact O-N 2.9Å; T869-D871 PolarHBondContact OG1-OD2 2.92Å; T869-E872 PolarHBondContact N-OE2 3.44Å; T869-E872 VanDerWaalsContact N-OE2 3.09Å; T869-E872 PolarHBondContact O-N 3.37Å; T869-E872 VanDerWaalsContact O-N 3.15Å; T869-T873 PolarHBondContact O-N 2.65Å; T869-T873 PolarHBondContact O-OG1 2.87Å; T869-K946 HydrophobicContact CG2-CD 4.04Å; T869-K946 HydrophobicContact CG2-CG 4.31Å; T869-K946 PolarHBondContact OG1-NZ 2.8Å; T869-W952 HydrophobicContact CG2-CH2 3.74Å; T869-W952 HydrophobicContact CG2-CZ2 4.17Å
870	N	67.3	Low	73	Confident	10 Å²	10	69.1 Å²	69.1	5%	0.053	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-17.8	174.6	-61.2	-14	0	0	0	114.9	T854 I875	T854-N870 VanDerWaalsContact C-OD1 3.29Å; T854-N870 PolarHBondContact N-ND2 2.75Å; T854-N870 PolarHBondContact O-N 3.38Å; T854-N870 PolarHBondContact O-OD1 2.85Å; T854-N870 PolarHBondContact OG1-ND2 2.82Å; T854-N870 PolarHBondContact OG1-OD1 2.7Å; N870-I875 WeakPolarHBondContact CA-O 3.46Å; N870-I875 PolarHBondContact OD1-O 3.01Å
871	D	62.8	Low	73.5	Confident	120 Å²	120	68.8 Å²	68.8	64%	0.642	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-20.9	-175.5	-39.4	-74.2	0	0	0	112.6	T869	T869-D871 PolarHBondContact O-N 2.9Å; T869-D871 PolarHBondContact OG1-OD2 2.92Å
872	E	61.3	Low	73.2	Confident	115 Å²	115	68.2 Å²	68.2	54%	0.537	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-13.3	174.7	-71.3	168.3	151.3	0	0	112.5	T869 K946	T869-E872 PolarHBondContact N-OE2 3.44Å; T869-E872 VanDerWaalsContact N-OE2 3.09Å; T869-E872 PolarHBondContact O-N 3.37Å; T869-E872 VanDerWaalsContact O-N 3.15Å; E872-K946 IonicContact OE1-NZ 2.72Å; E872-K946 PolarHBondContact OE1-NZ 3.29Å; E872-K946 IonicContact OE2-NZ 2.65Å; E872-K946 PolarHBondContact OE2-NZ 2.76Å
873	T	62.7	Low	73	Confident	32 Å²	32	62.2 Å²	62.2	20%	0.196	30%	0.301	C	S	.	.	S	Bend	trans	-131.3	159.3	-173.8	63.8	0	0	0	0	109.8	Q868 T869 I875	Q868-T873 HydrophobicContact CB-CG2 4.02Å; T869-T873 PolarHBondContact O-N 2.65Å; T869-T873 PolarHBondContact O-OG1 2.87Å; T873-I875 PolarHBondContact O-N 2.91Å; T873-I875 WeakPolarHBondContact OG1-CB 3.3Å; T873-I875 PolarHBondContact OG1-N 3.3Å
874	N	63.8	Low	72.3	Confident	172 Å²	172	56.1 Å²	56.1	92%	0.92	28%	0.277	S	S	*	.	S	Bend	trans	-79	15.5	169	-70.3	-46.2	0	0	0	112.4
875	I	68.4	Low	71.5	Confident	54 Å²	54	47.5 Å²	47.5	28%	0.277	25%	0.245	S	C	.	.			trans	-95.8	107.7	-173.2	-58.1	176	0	0	0	108	N870 T873 P934	N870-I875 WeakPolarHBondContact CA-O 3.46Å; N870-I875 PolarHBondContact OD1-O 3.01Å; T873-I875 PolarHBondContact O-N 2.91Å; T873-I875 WeakPolarHBondContact OG1-CB 3.3Å; T873-I875 PolarHBondContact OG1-N 3.3Å; I875-P934 HydrophobicContact CG2-CB 3.87Å; I875-P934 HydrophobicContact CG2-CG 3.43Å; I875-P934 VanDerWaalsContact CG2-CG 3.43Å
876	K	78.5	Confident	70.7	Confident	82 Å²	82	48.3 Å²	48.3	36%	0.357	25%	0.25	S	C	.	.			trans	-112.7	130.2	178	-63.6	-171.8	174.9	-161.8	0	109.8	V893 Q895 P934	K876-V893 HydrophobicContact CB-CB 4.13Å; K876-V893 HydrophobicContact CB-CG1 4.02Å; K876-Q895 HydrophobicContact CD-CG 4Å; K876-P934 WeakPolarHBondContact O-CD 3.08Å; K876-P934 WeakPolarHBondContact O-CG 3.23Å
877	S	86.7	Confident	69.7	Low	3 Å²	3	46 Å²	46	2%	0.021	24%	0.238	C	C	.	.			trans	-92.6	149.9	160.3	-73.2	0	0	0	0	110.7	F932 P934 S935	S877-F932 CarbonylContact C-O 3.13Å; S877-F932 WeakPolarHBondContact CA-O 3.47Å; S877-P934 WeakPolarHBondContact OG-CD 3.39Å; S877-S935 WeakPolarHBondContact OG-CB 3.16Å; S877-S935 PolarHBondContact OG-N 2.94Å; S877-S935 PolarHBondContact OG-OG 3.12Å
878	G	87.6	Confident	69.2	Low	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-155.6	-169	0	0	0	0	0	114.1	D894 F932	G878-D894 CarbonylContact C-O 3.56Å; G878-D894 WeakPolarHBondContact CA-O 3.48Å; G878-F932 PolarHBondContact N-O 3.06Å
879	V	85.4	Confident	68.5	Low	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	163.1	170.8	-77.7	0	0	0	0	110.7	K881 D894 M902 T904 T1046 I1048	V879-K881 PolarHBondContact O-N 3.48Å; V879-K881 VanDerWaalsContact O-N 3.17Å; V879-D894 HydrophobicContact CG2-CB 4.21Å; V879-D894 PolarHBondContact N-O 3.16Å; V879-D894 PolarHBondContact O-N 2.62Å; V879-M902 HydrophobicContact CG1-CB 4.41Å; V879-M902 HydrophobicContact CG2-CE 3.8Å; V879-M902 HydrophobicContact CG2-SD 4.19Å; V879-T904 HydrophobicContact CB-CG2 4.05Å; V879-T904 HydrophobicContact CG2-CG2 3.95Å; V879-T1046 WeakPolarHBondContact CA-OG1 3.44Å; V879-T1046 WeakPolarHBondContact CB-OG1 3.39Å; V879-I1048 HydrophobicContact CG1-CD1 3.6Å; V879-I1048 HydrophobicContact CG1-CG1 3.65Å; V879-I1048 HydrophobicContact CG2-CD1 4.46Å
880	M	81.4	Confident	67.7	Low	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	116.9	173.9	-64.3	142.5	172.4	0	0	110.1	T904 C906 L929 F932 L1044 T1046	M880-T904 WeakPolarHBondContact CB-OG1 3.01Å; M880-T904 PolarHBondContact N-OG1 2.7Å; M880-T904 VanDerWaalsContact O-CB 3.3Å; M880-T904 WeakPolarHBondContact O-CB 3.16Å; M880-T904 PolarHBondContact O-OG1 3.21Å; M880-C906 HydrophobicContact SD-CB 4.39Å; M880-L929 HydrophobicContact CE-CD2 3.61Å; M880-F932 HydrophobicContact CB-CD1 4.3Å; M880-F932 HydrophobicContact CB-CE1 4Å; M880-F932 HydrophobicContact CB-CZ 4.3Å; M880-F932 HydrophobicContact CE-CD2 3.85Å; M880-F932 HydrophobicContact CE-CE2 3.57Å; M880-F932 HydrophobicContact CE-CZ 4.26Å; M880-F932 HydrophobicContact CG-CD1 3.74Å; M880-F932 HydrophobicContact CG-CD2 3.88Å; M880-F932 HydrophobicContact CG-CE1 3.48Å; M880-F932 VanDerWaalsContact CG-CE1 3.48Å; M880-F932 HydrophobicContact CG-CE2 3.59Å; M880-F932 HydrophobicContact CG-CG 3.96Å; M880-F932 HydrophobicContact CG-CZ 3.4Å; M880-F932 VanDerWaalsContact CG-CZ 3.4Å; M880-F932 HydrophobicContact SD-CE2 4.48Å; M880-L1044 HydrophobicContact CE-CB 3.68Å; M880-T1046 HydrophobicContact CE-CG2 3.68Å; M880-T1046 HydrophobicContact CG-CG2 3.89Å; M880-T1046 PolarHBondContact N-OG1 3.39Å; M880-T1046 HydrophobicContact SD-CG2 3.73Å; M880-T1046 PolarHBondContact SD-OG1 3.01Å
881	K	75.6	Confident	67.8	Low	103 Å²	103	48.1 Å²	48.1	45%	0.448	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	98.9	160.7	-177.3	-177.6	165.1	-156.6	0	107.1	V879 S891 E892 D894	V879-K881 PolarHBondContact O-N 3.48Å; V879-K881 VanDerWaalsContact O-N 3.17Å; K881-S891 CarbonylContact O-C 3.44Å; K881-S891 WeakPolarHBondContact O-CA 3.4Å; K881-S891 WeakPolarHBondContact O-CB 3.3Å; K881-E892 HydrophobicContact CB-CB 4.16Å; K881-E892 HydrophobicContact CD-CB 4.25Å; K881-E892 WeakPolarHBondContact CD-OE2 3.31Å; K881-E892 WeakPolarHBondContact CE-OE2 3.36Å; K881-E892 PolarHBondContact N-O 3.33Å; K881-E892 IonicContact NZ-OE2 3.57Å; K881-E892 PolarHBondContact NZ-OE2 3.27Å; K881-E892 PolarHBondContact O-N 2.86Å; K881-D894 HydrophobicContact CB-CB 4.1Å
882	T	61.7	Low	68.4	Low	45 Å²	45	47.6 Å²	47.6	28%	0.276	24%	0.243	S	C	.	.			trans	-56.9	140.3	-175.2	18.1	0	0	0	0	112.8	M886 S905 C906	T882-M886 HydrophobicContact CG2-CB 4.32Å; T882-S905 WeakPolarHBondContact CG2-O 3.46Å; T882-C906 HydrophobicContact CG2-CB 3.55Å
883	G	50.5	Low	69.3	Low	8 Å²	8	43.9 Å²	43.9	8%	0.082	23%	0.229	C	C	.	.			trans	-73.4	178.3	172.8	0	0	0	0	0	112.7	D885 M886	G883-D885 PolarHBondContact O-N 2.91Å; G883-D885 VanDerWaalsContact O-N 3.1Å; G883-M886 PolarHBondContact O-N 3.16Å
884	P	44.8	Very low	70.3	Confident	55 Å²	55	44 Å²	44	36%	0.357	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-40.7	179.1	-31.9	38.2	0	0	0	114.7	Y818	Y818-P884 VanDerWaalsContact CD1-O 3.27Å; Y818-P884 WeakPolarHBondContact CD1-O 3.49Å; Y818-P884 HydrophobicContact CD2-CB 4.35Å; Y818-P884 WeakPolarHBondContact CE1-O 3.39Å; Y818-P884 HydrophobicContact CE2-CB 4.3Å; Y818-P884 WeakPolarHBondContact CE2-O 3.21Å
885	D	52.6	Low	71.2	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.059	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.8	-172.3	46.5	20.5	0	0	0	114.3	M710 G883 L887 N890 R907	M710-D885 HydrophobicContact SD-CB 4.18Å; G883-D885 PolarHBondContact O-N 2.91Å; G883-D885 VanDerWaalsContact O-N 3.1Å; D885-L887 HydrophobicContact CB-CB 4.23Å; D885-L887 HydrophobicContact CB-CD1 3.98Å; D885-L887 HydrophobicContact CB-CG 3.89Å; D885-L887 PolarHBondContact O-N 3.42Å; D885-L887 VanDerWaalsContact O-N 3.12Å; D885-L887 WeakPolarHBondContact OD1-CB 2.9Å; D885-L887 PolarHBondContact OD1-N 2.69Å; D885-N890 PolarHBondContact OD2-ND2 2.97Å; D885-R907 PolarHBondContact O-NE 3.3Å; D885-R907 VanDerWaalsContact O-NE 3.08Å; D885-R907 PolarHBondContact O-NH2 2.87Å
886	M	60.9	Low	72.1	Confident	30 Å²	30	35.4 Å²	35.4	15%	0.148	18%	0.181	C	C	.	.			trans	54.7	5.5	-159.4	-57	-178.2	174.7	0	0	114.6	E604 R625 T882 G883 C888 C906 R907	E604-M886 WeakPolarHBondContact O-CE 3.34Å; R625-M886 WeakPolarHBondContact O-CE 3.4Å; T882-M886 HydrophobicContact CG2-CB 4.32Å; G883-M886 PolarHBondContact O-N 3.16Å; M886-C888 PolarHBondContact O-N 3.44Å; M886-C906 WeakPolarHBondContact O-CA 3.31Å; M886-C906 WeakPolarHBondContact O-CB 3.39Å; M886-R907 HydrophobicContact CB-CG 4.27Å; M886-R907 PolarHBondContact O-N 2.89Å
887	L	63.8	Low	72.4	Confident	29 Å²	29	34.1 Å²	34.1	15%	0.152	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-69.1	138.1	-177.3	-69.8	170.9	0	0	0	109.2	D885 E889 N890 S891 R907 L909 Y1041	D885-L887 HydrophobicContact CB-CB 4.23Å; D885-L887 HydrophobicContact CB-CD1 3.98Å; D885-L887 HydrophobicContact CB-CG 3.89Å; D885-L887 PolarHBondContact O-N 3.42Å; D885-L887 VanDerWaalsContact O-N 3.12Å; D885-L887 WeakPolarHBondContact OD1-CB 2.9Å; D885-L887 PolarHBondContact OD1-N 2.69Å; L887-E889 HydrophobicContact CB-CB 4.26Å; L887-E889 PolarHBondContact O-N 3.05Å; L887-N890 PolarHBondContact O-N 3.36Å; L887-S891 PolarHBondContact O-N 2.75Å; L887-R907 CarbonylContact C-O 3.51Å; L887-R907 VanDerWaalsContact CA-O 3.28Å; L887-R907 WeakPolarHBondContact CA-O 3.49Å; L887-R907 HydrophobicContact CD2-CG 4.11Å; L887-L909 HydrophobicContact CD2-CB 4.1Å; L887-Y1041 HydrophobicContact CD2-CE1 4.26Å
888	C	73.7	Confident	72.3	Confident	1 Å²	1	34 Å²	34	1%	0.007	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.5	168.8	-63.1	0	0	0	0	112.5	F727 M886 S891 C906 R907 V908 R928 L1044	F727-C888 HydrophobicContact CD1-CB 4.13Å; F727-C888 VanDerWaalsContact CD1-O 3.28Å; F727-C888 WeakPolarHBondContact CD1-O 3.37Å; F727-C888 HydrophobicContact CE1-CB 3.66Å; M886-C888 PolarHBondContact O-N 3.44Å; C888-S891 PolarHBondContact O-OG 2.79Å; C888-S891 VanDerWaalsContact O-OG 3.12Å; C888-C906 WeakPolarHBondContact CA-SG 3.11Å; C888-C906 HydrophobicContact CB-CB 3.96Å; C888-C906 WeakPolarHBondContact CB-SG 3.43Å; C888-C906 WeakPolarHBondContact SG-CB 3.31Å; C888-C906 PolarHBondContact SG-O 2.7Å; C888-C906 VanDerWaalsContact SG-O 3.41Å; C888-C906 CovalentContact SG-SG 2.03Å; C888-C906 PolarHBondContact SG-SG 3.43Å; C888-R907 PolarHBondContact N-O 2.91Å; C888-R907 VanDerWaalsContact SG-C 3.57Å; C888-R907 PolarHBondContact SG-N 3.4Å; C888-V908 HydrophobicContact CB-CG1 3.85Å; C888-R928 VanDerWaalsContact O-CZ 3.25Å; C888-R928 PolarHBondContact O-NE 2.74Å; C888-R928 PolarHBondContact O-NH2 2.92Å; C888-L1044 HydrophobicContact CB-CD1 4.45Å
889	E	67.7	Low	71.9	Confident	71 Å²	71	35.2 Å²	35.2	33%	0.332	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-52.9	175	173.6	165.4	-163.3	0	0	112.8	N728 L887	N728-E889 HydrophobicContact CB-CG 4.43Å; L887-E889 HydrophobicContact CB-CB 4.26Å; L887-E889 PolarHBondContact O-N 3.05Å
890	N	64.1	Low	71.5	Confident	69 Å²	69	39 Å²	39	37%	0.369	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	6.3	-175.1	-71.3	-51.8	0	0	0	113.5	D885 L887	D885-N890 PolarHBondContact OD2-ND2 2.97Å; L887-N890 PolarHBondContact O-N 3.36Å
891	S	68.9	Low	71.3	Confident	8 Å²	8	42.8 Å²	42.8	6%	0.056	23%	0.227	C	C	.	.			trans	-72.8	126.6	178.8	62.1	0	0	0	0	112.8	K881 L887 C888 R928 F932	K881-S891 CarbonylContact O-C 3.44Å; K881-S891 WeakPolarHBondContact O-CA 3.4Å; K881-S891 WeakPolarHBondContact O-CB 3.3Å; L887-S891 PolarHBondContact O-N 2.75Å; C888-S891 PolarHBondContact O-OG 2.79Å; C888-S891 VanDerWaalsContact O-OG 3.12Å; S891-R928 PolarHBondContact O-NH2 2.98Å; S891-R928 PolarHBondContact OG-NH2 3.31Å; S891-F932 WeakPolarHBondContact OG-CZ 3.43Å
892	E	75.2	Confident	71.3	Confident	109 Å²	109	39.2 Å²	39.2	51%	0.509	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-177	169.3	-59.1	-176.1	136	0	0	111.1	K881	K881-E892 HydrophobicContact CB-CB 4.16Å; K881-E892 HydrophobicContact CD-CB 4.25Å; K881-E892 WeakPolarHBondContact CD-OE2 3.31Å; K881-E892 WeakPolarHBondContact CE-OE2 3.36Å; K881-E892 PolarHBondContact N-O 3.33Å; K881-E892 IonicContact NZ-OE2 3.57Å; K881-E892 PolarHBondContact NZ-OE2 3.27Å; K881-E892 PolarHBondContact O-N 2.86Å
893	V	81.3	Confident	72.1	Confident	37 Å²	37	42.9 Å²	42.9	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119	172	-174.8	0	0	0	0	109.3	K876 F932	K876-V893 HydrophobicContact CB-CB 4.13Å; K876-V893 HydrophobicContact CB-CG1 4.02Å; V893-F932 HydrophobicContact CG2-CD1 4.03Å
894	D	82.7	Confident	73.6	Confident	34 Å²	34	43.7 Å²	43.7	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131	164.6	-171.6	25.6	0	0	0	109.2	N622 G878 V879 K881	N622-D894 PolarHBondContact ND2-OD2 3.22Å; G878-D894 CarbonylContact C-O 3.56Å; G878-D894 WeakPolarHBondContact CA-O 3.48Å; V879-D894 HydrophobicContact CG2-CB 4.21Å; V879-D894 PolarHBondContact N-O 3.16Å; V879-D894 PolarHBondContact O-N 2.62Å; K881-D894 HydrophobicContact CB-CB 4.1Å
895	Q	83.7	Confident	75.3	Confident	45 Å²	45	42.6 Å²	42.6	21%	0.21	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145	-165.6	-70.1	176.7	-110.4	0	0	112.3	L851 K876 K897	L851-Q895 HydrophobicContact CD2-CB 3.93Å; K876-Q895 HydrophobicContact CD-CG 4Å; Q895-K897 PolarHBondContact O-N 3.45Å
896	L	87	Confident	76.3	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-54.5	133.9	176.7	-61.9	178.6	0	0	0	111.8	I852 T854 L987 I1048	I852-L896 HydrophobicContact CB-CB 3.73Å; I852-L896 HydrophobicContact CD1-CB 4.39Å; I852-L896 HydrophobicContact CG2-CB 4.12Å; I852-L896 HydrophobicContact CG2-CD1 4.05Å; I852-L896 PolarHBondContact N-O 2.78Å; T854-L896 HydrophobicContact CG2-CD1 3.75Å; L896-L987 HydrophobicContact CD1-CD2 3.66Å; L896-L987 HydrophobicContact CD2-CD2 3.61Å; L896-L987 HydrophobicContact CG-CD2 4.31Å; L896-I1048 HydrophobicContact CD2-CD1 3.37Å; L896-I1048 HydrophobicContact CD2-CG1 3.89Å
897	K	84.9	Confident	77.1	Confident	55 Å²	55	41.8 Å²	41.8	24%	0.239	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-122.1	143.6	175.5	-69.6	177	-172.9	168.6	0	111.6	D850 L851 Q895	D850-K897 CarbonylContact O-C 3.53Å; D850-K897 VanDerWaalsContact O-CA 3.29Å; D850-K897 WeakPolarHBondContact O-CA 3.44Å; L851-K897 HydrophobicContact CD2-CG 4.23Å; Q895-K897 PolarHBondContact O-N 3.45Å
898	F	84.1	Confident	77.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	146.4	-179.8	-170	-87	0	0	0	112	Y846 E847 D849 D850 I852 K900 R1003 I1005 H1050	Y846-F898 VanDerWaalsContact CB-CD2 3.43Å; Y846-F898 HydrophobicContact CD1-CB 4.07Å; Y846-F898 HydrophobicContact CD1-CD2 4.27Å; Y846-F898 HydrophobicContact CD1-CG 4.27Å; Y846-F898 AromaticContact CD2-CD2 3.71Å; Y846-F898 HydrophobicContact CD2-CD2 3.71Å; Y846-F898 HydrophobicContact CD2-CE2 4.04Å; Y846-F898 HydrophobicContact CD2-CG 4.43Å; Y846-F898 HydrophobicContact CG-CB 4.12Å; Y846-F898 AromaticContact CG-CD2 3.55Å; Y846-F898 HydrophobicContact CG-CD2 3.55Å; Y846-F898 HydrophobicContact CG-CE2 4.15Å; Y846-F898 AromaticContact CG-CG 3.8Å; Y846-F898 HydrophobicContact CG-CG 3.8Å; E847-F898 WeakPolarHBondContact O-CB 3.4Å; E847-F898 VanDerWaalsContact O-CD1 3.27Å; E847-F898 WeakPolarHBondContact O-CD1 3.33Å; D849-F898 PolarHBondContact N-O 3.1Å; D849-F898 VanDerWaalsContact N-O 3.1Å; D850-F898 HydrophobicContact CB-CB 4.4Å; D850-F898 PolarHBondContact O-N 3.34Å; I852-F898 HydrophobicContact CD1-CB 4.28Å; I852-F898 HydrophobicContact CD1-CD2 4.3Å; I852-F898 HydrophobicContact CG1-CB 3.99Å; I852-F898 HydrophobicContact CG1-CD2 4.39Å; F898-K900 VanDerWaalsContact C-N 3.26Å; F898-K900 PolarHBondContact O-N 3.18Å; F898-R1003 HydrophobicContact CE1-CB 3.87Å; F898-R1003 HydrophobicContact CE1-CG 4.39Å; F898-R1003 HydrophobicContact CZ-CB 3.68Å; F898-I1005 HydrophobicContact CD2-CD1 4.22Å; F898-I1005 HydrophobicContact CD2-CG1 4.1Å; F898-I1005 HydrophobicContact CE2-CD1 4.38Å; F898-I1005 HydrophobicContact CE2-CG1 3.77Å; F898-H1050 AromaticContact CD2-NE2 3.75Å; F898-H1050 AromaticContact CE1-CE1 3.98Å; F898-H1050 AromaticContact CE1-NE2 3.78Å; F898-H1050 AromaticContact CE2-NE2 3.37Å; F898-H1050 WeakPolarHBondContact CE2-NE2 3.4Å; F898-H1050 AromaticContact CZ-CE1 3.76Å; F898-H1050 AromaticContact CZ-NE2 3.37Å; F898-H1050 WeakPolarHBondContact CZ-NE2 3.33Å
899	G	80.3	Confident	77.8	Confident	27 Å²	27	43.7 Å²	43.7	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-1.9	179.6	0	0	0	0	0	115.7	H1050	G899-H1050 PolarHBondContact N-CD2 3.48Å; G899-H1050 PolarHBondContact N-NE2 3.3Å
900	K	75.6	Confident	78.4	Confident	78 Å²	78	40.3 Å²	40.3	34%	0.339	22%	0.216	S	C	.	.			trans	-118	122.8	-171.9	-73.1	-171.1	172.6	174.3	0	114.4	D849 F898 M902	D849-K900 VanDerWaalsContact OD1-CE 3.26Å; D849-K900 WeakPolarHBondContact OD1-CE 3.36Å; D849-K900 IonicContact OD1-NZ 3.81Å; D849-K900 PolarHBondContact OD1-NZ 3.5Å; D849-K900 WeakPolarHBondContact OD2-CE 3.2Å; D849-K900 IonicContact OD2-NZ 2.71Å; D849-K900 PolarHBondContact OD2-NZ 2.81Å; F898-K900 VanDerWaalsContact C-N 3.26Å; F898-K900 PolarHBondContact O-N 3.18Å; K900-M902 HydrophobicContact CB-CG 4.38Å
901	T	78.7	Confident	78.9	Confident	82 Å²	82	37.3 Å²	37.3	50%	0.503	20%	0.201	S	C	.	.			trans	-75.1	134.4	157.1	-69.8	0	0	0	0	108.3	I1048 H1050	T901-I1048 CarbonylContact C-O 3.46Å; T901-I1048 VanDerWaalsContact CA-O 3.23Å; T901-I1048 WeakPolarHBondContact CA-O 3.42Å; T901-I1048 VanDerWaalsContact CG2-O 3.31Å; T901-I1048 WeakPolarHBondContact CG2-O 3.31Å; T901-H1050 PolarHBondContact OG1-N 3.43Å
902	M	74.7	Confident	79	Confident	28 Å²	28	40.7 Å²	40.7	14%	0.138	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.3	-179.8	-63	-176.3	71.8	0	0	110	N622 V879 K900 I1047 I1048	N622-M902 WeakPolarHBondContact ND2-CE 3.36Å; V879-M902 HydrophobicContact CG1-CB 4.41Å; V879-M902 HydrophobicContact CG2-CE 3.8Å; V879-M902 HydrophobicContact CG2-SD 4.19Å; K900-M902 HydrophobicContact CB-CG 4.38Å; M902-I1047 CarbonylContact O-C 3.56Å; M902-I1047 WeakPolarHBondContact O-CA 3.47Å; M902-I1048 HydrophobicContact CB-CB 4.33Å; M902-I1048 HydrophobicContact CB-CD1 4.15Å; M902-I1048 HydrophobicContact CG-CD1 4.35Å; M902-I1048 PolarHBondContact N-O 3.26Å; M902-I1048 PolarHBondContact O-N 3.38Å; M902-I1048 HydrophobicContact SD-CD1 4.08Å
903	I	79.7	Confident	78.9	Confident	123 Å²	123	39.1 Å²	39.1	63%	0.631	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.9	173.2	-62.5	169.6	0	0	0	106.3	I1047	I903-I1047 HydrophobicContact CB-CG1 4.49Å; I903-I1047 HydrophobicContact CG1-CD1 4.37Å; I903-I1047 HydrophobicContact CG1-CG1 4.16Å; I903-I1047 HydrophobicContact CG1-CG2 4.08Å; I903-I1047 HydrophobicContact CG2-CD1 4.39Å; I903-I1047 HydrophobicContact CG2-CG1 4.2Å
904	T	80.4	Confident	78.8	Confident	25 Å²	25	38.5 Å²	38.5	15%	0.153	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.2	168.3	70.6	0	0	0	0	110.1	V879 M880 N1045 T1046	V879-T904 HydrophobicContact CB-CG2 4.05Å; V879-T904 HydrophobicContact CG2-CG2 3.95Å; M880-T904 WeakPolarHBondContact CB-OG1 3.01Å; M880-T904 PolarHBondContact N-OG1 2.7Å; M880-T904 VanDerWaalsContact O-CB 3.3Å; M880-T904 WeakPolarHBondContact O-CB 3.16Å; M880-T904 PolarHBondContact O-OG1 3.21Å; T904-N1045 WeakPolarHBondContact O-CA 3.04Å; T904-T1046 PolarHBondContact N-O 3.27Å; T904-T1046 PolarHBondContact O-N 3.25Å; T904-T1046 PolarHBondContact OG1-OG1 3.37Å
905	S	81.1	Confident	78.7	Confident	32 Å²	32	37.5 Å²	37.5	22%	0.224	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.4	176.2	68.8	0	0	0	0	111.2	T882 L1044 N1045	T882-S905 WeakPolarHBondContact CG2-O 3.46Å; S905-L1044 CarbonylContact C-O 3.58Å; S905-L1044 WeakPolarHBondContact CA-O 3.3Å; S905-L1044 WeakPolarHBondContact CB-O 3.43Å; S905-N1045 WeakPolarHBondContact CB-OD1 3.45Å
906	C	74.8	Confident	78.4	Confident	2 Å²	2	41 Å²	41	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	164.1	169.3	64.2	0	0	0	0	109.1	M880 T882 M886 C888 Y1043 L1044	M880-C906 HydrophobicContact SD-CB 4.39Å; T882-C906 HydrophobicContact CG2-CB 3.55Å; M886-C906 WeakPolarHBondContact O-CA 3.31Å; M886-C906 WeakPolarHBondContact O-CB 3.39Å; C888-C906 WeakPolarHBondContact CA-SG 3.11Å; C888-C906 HydrophobicContact CB-CB 3.96Å; C888-C906 WeakPolarHBondContact CB-SG 3.43Å; C888-C906 WeakPolarHBondContact SG-CB 3.31Å; C888-C906 PolarHBondContact SG-O 2.7Å; C888-C906 VanDerWaalsContact SG-O 3.41Å; C888-C906 CovalentContact SG-SG 2.03Å; C888-C906 PolarHBondContact SG-SG 3.43Å; C906-Y1043 WeakPolarHBondContact O-CA 3.08Å; C906-L1044 PolarHBondContact N-O 2.86Å; C906-L1044 PolarHBondContact O-N 2.76Å
907	R	76	Confident	78.2	Confident	21 Å²	21	43.8 Å²	43.8	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.7	178.6	65.5	-162.5	178.4	170.5	-6	112.6	D885 M886 L887 C888 Y1041 F1042 Y1043	D885-R907 PolarHBondContact O-NE 3.3Å; D885-R907 VanDerWaalsContact O-NE 3.08Å; D885-R907 PolarHBondContact O-NH2 2.87Å; M886-R907 HydrophobicContact CB-CG 4.27Å; M886-R907 PolarHBondContact O-N 2.89Å; L887-R907 CarbonylContact C-O 3.51Å; L887-R907 VanDerWaalsContact CA-O 3.28Å; L887-R907 WeakPolarHBondContact CA-O 3.49Å; L887-R907 HydrophobicContact CD2-CG 4.11Å; C888-R907 PolarHBondContact N-O 2.91Å; C888-R907 VanDerWaalsContact SG-C 3.57Å; C888-R907 PolarHBondContact SG-N 3.4Å; R907-Y1041 HydrophobicContact CB-CD1 4.05Å; R907-Y1041 VanDerWaalsContact CD-CD1 3.43Å; R907-Y1041 HydrophobicContact CG-CD1 3.62Å; R907-Y1041 HydrophobicContact CG-CE1 4.01Å; R907-Y1041 HydrophobicContact CG-CG 4.41Å; R907-F1042 CarbonylContact C-O 3.49Å; R907-F1042 VanDerWaalsContact CA-O 3.26Å; R907-F1042 WeakPolarHBondContact CA-O 3.42Å; R907-Y1043 HydrophobicContact CB-CD1 4.4Å; R907-Y1043 HydrophobicContact CB-CE1 4.42Å
908	V	81.1	Confident	78.3	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.3	164.7	-67	0	0	0	0	109.4	F727 C888 L910 I925 W1017 Y1041 F1042 L1044	F727-V908 HydrophobicContact CE1-CG1 3.74Å; F727-V908 HydrophobicContact CZ-CG1 3.92Å; C888-V908 HydrophobicContact CB-CG1 3.85Å; V908-L910 HydrophobicContact CB-CG 4.44Å; V908-L910 HydrophobicContact CG2-CD1 3.92Å; V908-L910 HydrophobicContact CG2-CG 4.01Å; V908-I925 HydrophobicContact CG1-CD1 4.21Å; V908-I925 HydrophobicContact CG2-CD1 4.27Å; V908-W1017 HydrophobicContact CG2-CH2 3.79Å; V908-W1017 HydrophobicContact CG2-CZ3 4.04Å; V908-Y1041 WeakPolarHBondContact O-CA 3.32Å; V908-F1042 HydrophobicContact CG2-CB 3.92Å; V908-F1042 WeakPolarHBondContact CG2-O 3.4Å; V908-F1042 PolarHBondContact N-O 2.95Å; V908-F1042 PolarHBondContact O-N 2.86Å; V908-L1044 HydrophobicContact CG1-CD1 3.9Å; V908-L1044 HydrophobicContact CG1-CG 4.25Å
909	L	71.8	Confident	78.3	Confident	64 Å²	64	43.9 Å²	43.9	34%	0.335	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.9	-178.3	-174.5	62.3	0	0	0	108.2	L887 V1039 Y1041	L887-L909 HydrophobicContact CD2-CB 4.1Å; L909-V1039 HydrophobicContact CD1-CB 3.64Å; L909-V1039 HydrophobicContact CD1-CG2 3.56Å; L909-V1039 HydrophobicContact CD2-CG2 4.07Å; L909-V1039 HydrophobicContact CG-CB 3.8Å; L909-V1039 HydrophobicContact CG-CG1 4.36Å; L909-V1039 HydrophobicContact CG-CG2 3.81Å; L909-Y1041 HydrophobicContact CD1-CD1 3.88Å; L909-Y1041 HydrophobicContact CD1-CE1 3.72Å; L909-Y1041 HydrophobicContact CD1-CG 4.49Å
910	L	79.8	Confident	78.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.3	-170.2	-60.3	178.6	0	0	0	111.4	F726 V908 D914 F915 L921 W1017 F1019 V1039 Q1040 F1042	F726-L910 HydrophobicContact CE1-CD2 3.7Å; F726-L910 HydrophobicContact CZ-CD2 3.52Å; V908-L910 HydrophobicContact CB-CG 4.44Å; V908-L910 HydrophobicContact CG2-CD1 3.92Å; V908-L910 HydrophobicContact CG2-CG 4.01Å; L910-D914 HydrophobicContact CB-CB 4.29Å; L910-D914 HydrophobicContact CD2-CB 4.06Å; L910-F915 HydrophobicContact CB-CE2 4.11Å; L910-F915 HydrophobicContact CD1-CE2 4.44Å; L910-L921 HydrophobicContact CD1-CD1 3.91Å; L910-L921 HydrophobicContact CD1-CD2 4.34Å; L910-L921 HydrophobicContact CD2-CD1 4.18Å; L910-W1017 HydrophobicContact CD1-CE3 3.91Å; L910-W1017 HydrophobicContact CD1-CZ3 3.58Å; L910-F1019 WeakPolarHBondContact O-CE2 3.46Å; L910-V1039 CarbonylContact O-C 3.55Å; L910-V1039 WeakPolarHBondContact O-CA 3.04Å; L910-Q1040 PolarHBondContact N-O 3.18Å; L910-Q1040 PolarHBondContact O-N 3.15Å; L910-F1042 HydrophobicContact CB-CD2 3.98Å; L910-F1042 HydrophobicContact CB-CE2 4.05Å; L910-F1042 HydrophobicContact CD1-CD2 3.8Å; L910-F1042 HydrophobicContact CD1-CE2 4.38Å; L910-F1042 HydrophobicContact CD1-CG 4.32Å; L910-F1042 HydrophobicContact CG-CD2 4.13Å
911	G	74.4	Confident	79	Confident	5 Å²	5	42 Å²	42	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	171.3	174.1	0	0	0	0	0	112	N913 D914 F915 D1038	G911-N913 PolarHBondContact O-N 3.24Å; G911-D914 PolarHBondContact N-OD2 3.34Å; G911-D914 PolarHBondContact O-N 3.02Å; G911-F915 WeakPolarHBondContact O-CD2 3.49Å; G911-D1038 WeakPolarHBondContact CA-O 3.49Å
912	L	72.6	Confident	79.5	Confident	79 Å²	79	39.3 Å²	39.3	41%	0.414	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.5	174.7	-73.9	170.2	0	0	0	113.2	F915 I975 F1019	L912-F915 PolarHBondContact O-N 3.44Å; L912-I975 HydrophobicContact CD2-CG2 4.38Å; L912-F1019 HydrophobicContact CD1-CE1 4.33Å; L912-F1019 HydrophobicContact CD2-CB 3.94Å; L912-F1019 HydrophobicContact CD2-CD1 3.48Å; L912-F1019 VanDerWaalsContact CD2-CD1 3.48Å; L912-F1019 HydrophobicContact CD2-CD2 4.16Å; L912-F1019 HydrophobicContact CD2-CE1 3.96Å; L912-F1019 HydrophobicContact CD2-CG 3.59Å; L912-F1019 HydrophobicContact CD2-CZ 4.48Å; L912-F1019 HydrophobicContact CG-CD1 3.96Å; L912-F1019 HydrophobicContact CG-CD2 4.36Å; L912-F1019 HydrophobicContact CG-CE1 3.9Å; L912-F1019 HydrophobicContact CG-CE2 4.3Å; L912-F1019 HydrophobicContact CG-CG 4.19Å; L912-F1019 HydrophobicContact CG-CZ 4.08Å
913	N	71.8	Confident	80.1	Confident	77 Å²	77	38.3 Å²	38.3	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.1	175	-73.7	-33.1	0	0	0	113.6	G911 F915 T916 L1036	G911-N913 PolarHBondContact O-N 3.24Å; N913-F915 VanDerWaalsContact C-N 3.25Å; N913-F915 PolarHBondContact O-N 3.29Å; N913-T916 WeakPolarHBondContact O-CB 3.41Å; N913-T916 VanDerWaalsContact O-CG2 3.27Å; N913-T916 WeakPolarHBondContact O-CG2 3.43Å; N913-T916 PolarHBondContact O-N 2.95Å; N913-T916 VanDerWaalsContact O-N 3.16Å; N913-T916 PolarHBondContact O-OG1 3Å; N913-L1036 WeakPolarHBondContact OD1-CD2 3.06Å
914	D	80	Confident	80.3	Confident	23 Å²	23	32.7 Å²	32.7	12%	0.123	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-70.8	-25.8	-177.7	-62.7	-66.9	0	0	0	112.2	T724 L910 G911 T916	T724-D914 VanDerWaalsContact CG2-OD1 3.26Å; T724-D914 WeakPolarHBondContact CG2-OD1 3.43Å; L910-D914 HydrophobicContact CB-CB 4.29Å; L910-D914 HydrophobicContact CD2-CB 4.06Å; G911-D914 PolarHBondContact N-OD2 3.34Å; G911-D914 PolarHBondContact O-N 3.02Å; D914-T916 VanDerWaalsContact C-N 3.26Å; D914-T916 PolarHBondContact O-N 2.85Å
915	F	80.8	Confident	80.7	Confident	13 Å²	13	31.5 Å²	31.5	6%	0.057	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-77.6	-4.6	174.5	-69.8	-94	0	0	0	113.8	L910 G911 L912 N913 N917 L921 G976 C978 W1017 F1019 F1042	L910-F915 HydrophobicContact CB-CE2 4.11Å; L910-F915 HydrophobicContact CD1-CE2 4.44Å; G911-F915 WeakPolarHBondContact O-CD2 3.49Å; L912-F915 PolarHBondContact O-N 3.44Å; N913-F915 VanDerWaalsContact C-N 3.25Å; N913-F915 PolarHBondContact O-N 3.29Å; F915-N917 PolarHBondContact O-N 3.25Å; F915-L921 HydrophobicContact CE1-CD2 4.4Å; F915-G976 WeakPolarHBondContact CD1-O 3.33Å; F915-G976 WeakPolarHBondContact CE1-O 3.08Å; F915-C978 HydrophobicContact CD1-CB 3.89Å; F915-C978 VanDerWaalsContact CD1-SG 3.51Å; F915-C978 HydrophobicContact CE1-CB 4.1Å; F915-W1017 HydrophobicContact CE1-CB 3.94Å; F915-W1017 HydrophobicContact CZ-CB 4.27Å; F915-F1019 HydrophobicContact CE2-CB 4.34Å; F915-F1019 HydrophobicContact CE2-CD2 4.25Å; F915-F1042 HydrophobicContact CE1-CZ 4.49Å; F915-F1042 AromaticContact CE2-CE2 3.88Å; F915-F1042 HydrophobicContact CE2-CE2 3.88Å; F915-F1042 AromaticContact CE2-CZ 3.92Å; F915-F1042 HydrophobicContact CE2-CZ 3.92Å; F915-F1042 HydrophobicContact CZ-CD2 4.48Å; F915-F1042 AromaticContact CZ-CE1 3.93Å; F915-F1042 HydrophobicContact CZ-CE1 3.93Å; F915-F1042 AromaticContact CZ-CE2 3.74Å; F915-F1042 HydrophobicContact CZ-CE2 3.74Å; F915-F1042 AromaticContact CZ-CZ 3.44Å; F915-F1042 HydrophobicContact CZ-CZ 3.44Å; F915-F1042 VanDerWaalsContact CZ-CZ 3.44Å
916	T	77.5	Confident	81.1	Confident	118 Å²	118	31 Å²	31	72%	0.724	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-67.4	-21.9	177.3	59.9	0	0	0	0	113.6	N913 D914	N913-T916 WeakPolarHBondContact O-CB 3.41Å; N913-T916 VanDerWaalsContact O-CG2 3.27Å; N913-T916 WeakPolarHBondContact O-CG2 3.43Å; N913-T916 PolarHBondContact O-N 2.95Å; N913-T916 VanDerWaalsContact O-N 3.16Å; N913-T916 PolarHBondContact O-OG1 3Å; D914-T916 VanDerWaalsContact C-N 3.26Å; D914-T916 PolarHBondContact O-N 2.85Å
917	N	83.2	Confident	81.6	Confident	60 Å²	60	33 Å²	33	32%	0.321	18%	0.175	S	C	.	.			trans	-143.3	89.1	176.5	-175.5	-19.8	0	0	0	110.6	F915 D919 K920 L921	F915-N917 PolarHBondContact O-N 3.25Å; N917-D919 PolarHBondContact O-N 2.89Å; N917-D919 PolarHBondContact OD1-N 3.3Å; N917-D919 VanDerWaalsContact OD1-N 3.13Å; N917-K920 HydrophobicContact CB-CB 4Å; N917-K920 WeakPolarHBondContact O-CB 3.49Å; N917-K920 PolarHBondContact O-N 3.21Å; N917-K920 VanDerWaalsContact O-N 3.15Å; N917-K920 PolarHBondContact OD1-N 3.4Å; N917-L921 PolarHBondContact O-N 3.12Å
918	C	86.3	Confident	82	Confident	27 Å²	27	32.7 Å²	32.7	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-23.8	179.5	-56.9	0	0	0	0	114.1	R922 C978	C918-R922 WeakPolarHBondContact O-CB 3.48Å; C918-R922 PolarHBondContact O-N 3.02Å; C918-C978 WeakPolarHBondContact CA-SG 3.46Å; C918-C978 HydrophobicContact CB-CB 3.69Å; C918-C978 WeakPolarHBondContact CB-SG 3.4Å; C918-C978 WeakPolarHBondContact SG-CA 3.39Å; C918-C978 WeakPolarHBondContact SG-CB 3.26Å; C918-C978 CovalentContact SG-SG 2.04Å; C918-C978 PolarHBondContact SG-SG 2.04Å
919	D	84.5	Confident	82.4	Confident	31 Å²	31	32.4 Å²	32.4	17%	0.166	17%	0.172	C	C	.	.	H	α-helix	trans	-74.5	-41.9	176	-70	-13.8	0	0	0	111.2	K738 N917 R922 S923	K738-D919 HydrophobicContact CD-CB 4.32Å; K738-D919 WeakPolarHBondContact CD-OD2 3.25Å; K738-D919 WeakPolarHBondContact CE-OD2 3.29Å; K738-D919 IonicContact NZ-OD2 2.65Å; K738-D919 PolarHBondContact NZ-OD2 3.47Å; N917-D919 PolarHBondContact O-N 2.89Å; N917-D919 PolarHBondContact OD1-N 3.3Å; N917-D919 VanDerWaalsContact OD1-N 3.13Å; D919-R922 IonicContact OD1-CZ 2.63Å; D919-R922 IonicContact OD1-NH1 3.67Å; D919-R922 PolarHBondContact OD1-NH1 2.96Å; D919-S923 PolarHBondContact O-N 2.84Å; D919-S923 PolarHBondContact O-OG 3.19Å
920	K	83.3	Confident	83.2	Confident	61 Å²	61	31 Å²	31	27%	0.265	17%	0.165	S	C	.	.	H	α-helix	trans	-60.5	-46.7	170.3	-176	-153.9	170	-156.2	0	110.9	T724 Y733 N917 S923 L924	T724-K920 PolarHBondContact OG1-NZ 2.83Å; Y733-K920 HydrophobicContact CD1-CB 4.23Å; Y733-K920 HydrophobicContact CD1-CG 4.14Å; Y733-K920 HydrophobicContact CD2-CB 4.19Å; Y733-K920 HydrophobicContact CD2-CG 4.15Å; Y733-K920 HydrophobicContact CE1-CB 4.2Å; Y733-K920 HydrophobicContact CE2-CB 4.16Å; Y733-K920 HydrophobicContact CG-CB 4.21Å; Y733-K920 HydrophobicContact CG-CG 3.87Å; N917-K920 HydrophobicContact CB-CB 4Å; N917-K920 WeakPolarHBondContact O-CB 3.49Å; N917-K920 PolarHBondContact O-N 3.21Å; N917-K920 VanDerWaalsContact O-N 3.15Å; N917-K920 PolarHBondContact OD1-N 3.4Å; K920-S923 PolarHBondContact O-N 2.81Å; K920-S923 PolarHBondContact O-OG 2.9Å; K920-S923 VanDerWaalsContact O-OG 3.11Å; K920-L924 HydrophobicContact CD-CD1 4.34Å; K920-L924 HydrophobicContact CG-CD1 4Å; K920-L924 WeakPolarHBondContact O-CB 3.5Å; K920-L924 WeakPolarHBondContact O-CD1 3.32Å; K920-L924 WeakPolarHBondContact O-CG 3.49Å; K920-L924 PolarHBondContact O-N 3.25Å
921	L	86.9	Confident	83.5	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-49.1	179	-179.4	59.6	0	0	0	111	F726 L910 F915 N917 S923 L924 I925 C978 I981 W1017	F726-L921 HydrophobicContact CE1-CD1 4.49Å; F726-L921 HydrophobicContact CZ-CD1 3.95Å; L910-L921 HydrophobicContact CD1-CD1 3.91Å; L910-L921 HydrophobicContact CD1-CD2 4.34Å; L910-L921 HydrophobicContact CD2-CD1 4.18Å; F915-L921 HydrophobicContact CE1-CD2 4.4Å; N917-L921 PolarHBondContact O-N 3.12Å; L921-S923 VanDerWaalsContact C-N 3.35Å; L921-S923 PolarHBondContact O-N 3.19Å; L921-L924 WeakPolarHBondContact O-CB 3.48Å; L921-L924 PolarHBondContact O-N 3.28Å; L921-I925 HydrophobicContact CD1-CD1 4.47Å; L921-I925 HydrophobicContact CD1-CG1 4.15Å; L921-I925 WeakPolarHBondContact O-CG1 3.46Å; L921-I925 PolarHBondContact O-N 2.9Å; L921-C978 HydrophobicContact CD2-CB 4.41Å; L921-I981 HydrophobicContact CD2-CD1 4.26Å; L921-I981 HydrophobicContact CG-CD1 4.21Å; L921-W1017 HydrophobicContact CD2-CE3 4.41Å
922	R	89.1	Confident	84.1	Confident	26 Å²	26	32.5 Å²	32.5	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-43	179.3	-167.1	-177.6	-57.1	102.1	1.9	112.3	C918 D919 I925 I926 P979 N980 I981	C918-R922 WeakPolarHBondContact O-CB 3.48Å; C918-R922 PolarHBondContact O-N 3.02Å; D919-R922 IonicContact OD1-CZ 2.63Å; D919-R922 IonicContact OD1-NH1 3.67Å; D919-R922 PolarHBondContact OD1-NH1 2.96Å; R922-I925 PolarHBondContact O-N 3.25Å; R922-I926 HydrophobicContact CG-CD1 3.96Å; R922-I926 WeakPolarHBondContact O-CD1 3.45Å; R922-I926 VanDerWaalsContact O-CG1 3.26Å; R922-I926 WeakPolarHBondContact O-CG1 3Å; R922-I926 PolarHBondContact O-N 3.17Å; R922-P979 PolarHBondContact NH2-O 2.89Å; R922-N980 VanDerWaalsContact CD-O 3.28Å; R922-N980 WeakPolarHBondContact CD-O 3.47Å; R922-N980 PolarHBondContact NE-O 3.07Å; R922-I981 HydrophobicContact CB-CD1 3.81Å; R922-I981 HydrophobicContact CG-CD1 4.29Å
923	S	86.2	Confident	84.9	Confident	7 Å²	7	28.8 Å²	28.8	5%	0.049	15%	0.151	C	C	.	.	H	α-helix	trans	-71.1	-33.9	179.3	66	0	0	0	0	113.1	Y733 K738 T740 D919 K920 L921 E927	Y733-S923 VanDerWaalsContact CD2-OG 3.31Å; Y733-S923 WeakPolarHBondContact CD2-OG 3.35Å; Y733-S923 WeakPolarHBondContact CE2-OG 3.23Å; K738-S923 WeakPolarHBondContact O-CB 3.5Å; T740-S923 PolarHBondContact OG1-OG 3.2Å; D919-S923 PolarHBondContact O-N 2.84Å; D919-S923 PolarHBondContact O-OG 3.19Å; K920-S923 PolarHBondContact O-N 2.81Å; K920-S923 PolarHBondContact O-OG 2.9Å; K920-S923 VanDerWaalsContact O-OG 3.11Å; L921-S923 VanDerWaalsContact C-N 3.35Å; L921-S923 PolarHBondContact O-N 3.19Å; S923-E927 VanDerWaalsContact O-CB 3.32Å; S923-E927 WeakPolarHBondContact O-CB 3.04Å; S923-E927 PolarHBondContact O-N 3.44Å; S923-E927 VanDerWaalsContact O-N 3.1Å
924	L	85	Confident	85.7	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-47.1	171.2	-87.2	159.1	0	0	0	112.5	F726 C731 T740 K920 L921 E927 R928	F726-L924 HydrophobicContact CD2-CD1 3.95Å; F726-L924 HydrophobicContact CD2-CD2 4.12Å; F726-L924 HydrophobicContact CE2-CD1 3.61Å; F726-L924 HydrophobicContact CG-CD2 4.32Å; F726-L924 HydrophobicContact CZ-CD1 4.1Å; C731-L924 HydrophobicContact CB-CD2 3.74Å; T740-L924 HydrophobicContact CG2-CD2 3.78Å; T740-L924 HydrophobicContact CG2-CG 4.08Å; T740-L924 PolarHBondContact OG1-N 3.39Å; K920-L924 HydrophobicContact CD-CD1 4.34Å; K920-L924 HydrophobicContact CG-CD1 4Å; K920-L924 WeakPolarHBondContact O-CB 3.5Å; K920-L924 WeakPolarHBondContact O-CD1 3.32Å; K920-L924 WeakPolarHBondContact O-CG 3.49Å; K920-L924 PolarHBondContact O-N 3.25Å; L921-L924 WeakPolarHBondContact O-CB 3.48Å; L921-L924 PolarHBondContact O-N 3.28Å; L924-E927 PolarHBondContact O-N 2.9Å; L924-R928 PolarHBondContact O-N 2.9Å; L924-R928 VanDerWaalsContact O-N 3.11Å
925	I	88.8	Confident	86.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-43.7	-178.8	-63.2	-59.6	0	0	0	111.4	F726 F727 V908 L921 R922 E927 R928 L929 I981 T982 W1017 L1044	F726-I925 HydrophobicContact CE1-CD1 4.2Å; F727-I925 HydrophobicContact CZ-CD1 4.44Å; V908-I925 HydrophobicContact CG1-CD1 4.21Å; V908-I925 HydrophobicContact CG2-CD1 4.27Å; L921-I925 HydrophobicContact CD1-CD1 4.47Å; L921-I925 HydrophobicContact CD1-CG1 4.15Å; L921-I925 WeakPolarHBondContact O-CG1 3.46Å; L921-I925 PolarHBondContact O-N 2.9Å; R922-I925 PolarHBondContact O-N 3.25Å; I925-E927 VanDerWaalsContact C-N 3.31Å; I925-E927 PolarHBondContact O-N 3.24Å; I925-R928 PolarHBondContact O-N 3.37Å; I925-L929 HydrophobicContact CG2-CD1 4.31Å; I925-L929 WeakPolarHBondContact O-CG 3.45Å; I925-L929 PolarHBondContact O-N 3.23Å; I925-I981 HydrophobicContact CB-CG2 4.48Å; I925-I981 HydrophobicContact CG1-CG2 4.31Å; I925-I981 HydrophobicContact CG2-CG2 4.39Å; I925-T982 WeakPolarHBondContact CG2-O 3.25Å; I925-W1017 HydrophobicContact CD1-CH2 4.05Å; I925-W1017 HydrophobicContact CD1-CZ3 4.09Å; I925-W1017 HydrophobicContact CG1-CH2 4.2Å; I925-W1017 HydrophobicContact CG1-CZ3 4.08Å; I925-L1044 HydrophobicContact CD1-CD1 4.18Å; I925-L1044 HydrophobicContact CD1-CD2 4.34Å; I925-L1044 HydrophobicContact CG2-CD1 4.09Å; I925-L1044 HydrophobicContact CG2-CD2 3.38Å; I925-L1044 HydrophobicContact CG2-CG 4.4Å
926	I	88.9	Confident	86.5	Confident	22 Å²	22	29.6 Å²	29.6	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-44.2	175.2	-70	164.2	0	0	0	110.9	R922 R928 L929 N930 P960 L962 T982	R922-I926 HydrophobicContact CG-CD1 3.96Å; R922-I926 WeakPolarHBondContact O-CD1 3.45Å; R922-I926 VanDerWaalsContact O-CG1 3.26Å; R922-I926 WeakPolarHBondContact O-CG1 3Å; R922-I926 PolarHBondContact O-N 3.17Å; I926-R928 VanDerWaalsContact C-N 3.33Å; I926-R928 PolarHBondContact O-N 3.19Å; I926-L929 PolarHBondContact O-N 2.87Å; I926-N930 PolarHBondContact O-N 3.4Å; I926-N930 PolarHBondContact O-ND2 3.28Å; I926-P960 HydrophobicContact CD1-CG 3.62Å; I926-P960 HydrophobicContact CG1-CG 4.15Å; I926-L962 HydrophobicContact CD1-CD2 4.32Å; I926-T982 HydrophobicContact CG1-CG2 4.32Å; I926-T982 WeakPolarHBondContact CG1-OG1 3.45Å
927	E	85.4	Confident	87.2	Confident	44 Å²	44	24 Å²	24	21%	0.206	12%	0.121	C	C	.	.	H	α-helix	trans	-63.6	-35.7	179.5	-179.7	68.2	163.2	0	0	112.3	S741 C742 S923 L924 I925 N930 Q931	S741-E927 WeakPolarHBondContact CA-OE1 3.24Å; C742-E927 HydrophobicContact CB-CG 4.02Å; C742-E927 PolarHBondContact N-OE1 2.92Å; C742-E927 VanDerWaalsContact SG-CG 3.56Å; S923-E927 VanDerWaalsContact O-CB 3.32Å; S923-E927 WeakPolarHBondContact O-CB 3.04Å; S923-E927 PolarHBondContact O-N 3.44Å; S923-E927 VanDerWaalsContact O-N 3.1Å; L924-E927 PolarHBondContact O-N 2.9Å; I925-E927 VanDerWaalsContact C-N 3.31Å; I925-E927 PolarHBondContact O-N 3.24Å; E927-N930 PolarHBondContact O-N 3.41Å; E927-Q931 WeakPolarHBondContact O-CG 3.48Å; E927-Q931 PolarHBondContact O-N 3.37Å
928	R	84.3	Confident	87.7	Confident	13 Å²	13	21.1 Å²	21.1	5%	0.049	11%	0.106	C	C	.	.	H	α-helix	trans	-70.6	-41.5	172.4	-175.5	57.5	167.7	159.8	4.7	112.9	F727 C888 S891 L924 I925 I926 N930 Q931 F932	F727-R928 HydrophobicContact CD1-CB 4.42Å; F727-R928 HydrophobicContact CD1-CG 3.68Å; F727-R928 HydrophobicContact CD2-CB 3.72Å; F727-R928 HydrophobicContact CD2-CG 3.83Å; F727-R928 HydrophobicContact CE1-CB 4.12Å; F727-R928 HydrophobicContact CE1-CG 3.56Å; F727-R928 HydrophobicContact CE2-CB 3.36Å; F727-R928 HydrophobicContact CE2-CG 3.72Å; F727-R928 HydrophobicContact CG-CB 4.25Å; F727-R928 VanDerWaalsContact CG-CD 3.47Å; F727-R928 HydrophobicContact CG-CG 3.81Å; F727-R928 HydrophobicContact CZ-CB 3.56Å; F727-R928 HydrophobicContact CZ-CG 3.56Å; C888-R928 VanDerWaalsContact O-CZ 3.25Å; C888-R928 PolarHBondContact O-NE 2.74Å; C888-R928 PolarHBondContact O-NH2 2.92Å; S891-R928 PolarHBondContact O-NH2 2.98Å; S891-R928 PolarHBondContact OG-NH2 3.31Å; L924-R928 PolarHBondContact O-N 2.9Å; L924-R928 VanDerWaalsContact O-N 3.11Å; I925-R928 PolarHBondContact O-N 3.37Å; I926-R928 VanDerWaalsContact C-N 3.33Å; I926-R928 PolarHBondContact O-N 3.19Å; R928-N930 PolarHBondContact O-N 3.45Å; R928-Q931 WeakPolarHBondContact O-CB 3.48Å; R928-Q931 PolarHBondContact O-N 2.65Å; R928-F932 HydrophobicContact CG-CE2 4Å; R928-F932 VanDerWaalsContact O-CD2 3.29Å; R928-F932 WeakPolarHBondContact O-CD2 3.22Å; R928-F932 WeakPolarHBondContact O-CE2 3.31Å
929	L	89.5	Confident	87.9	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.9	-37.4	175.2	-70.3	176.5	0	0	0	111.4	M880 I925 I926 Q931 F932 T982 I985 L1044	M880-L929 HydrophobicContact CE-CD2 3.61Å; I925-L929 HydrophobicContact CG2-CD1 4.31Å; I925-L929 WeakPolarHBondContact O-CG 3.45Å; I925-L929 PolarHBondContact O-N 3.23Å; I926-L929 PolarHBondContact O-N 2.87Å; L929-Q931 VanDerWaalsContact C-N 3.29Å; L929-Q931 PolarHBondContact O-N 3.22Å; L929-F932 PolarHBondContact O-N 3.09Å; L929-T982 HydrophobicContact CD1-CG2 3.8Å; L929-T982 VanDerWaalsContact CD1-O 3.3Å; L929-T982 WeakPolarHBondContact CD1-O 3.01Å; L929-I985 HydrophobicContact CB-CB 4.13Å; L929-I985 HydrophobicContact CB-CD1 4.26Å; L929-I985 HydrophobicContact CB-CG2 4.13Å; L929-I985 HydrophobicContact CD1-CB 4.39Å; L929-I985 HydrophobicContact CD2-CB 4.33Å; L929-I985 HydrophobicContact CD2-CG2 3.89Å; L929-I985 HydrophobicContact CG-CG2 4.49Å; L929-L1044 HydrophobicContact CD2-CB 4.2Å; L929-L1044 HydrophobicContact CD2-CD1 4.49Å
930	N	89.3	Confident	88.2	Confident	35 Å²	35	19 Å²	19	19%	0.187	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-30.8	174.3	-69	-24.4	0	0	0	113.3	I926 E927 R928 F932 M933 P934 R957 Y1012	I926-N930 PolarHBondContact O-N 3.4Å; I926-N930 PolarHBondContact O-ND2 3.28Å; E927-N930 PolarHBondContact O-N 3.41Å; R928-N930 PolarHBondContact O-N 3.45Å; N930-F932 VanDerWaalsContact C-N 3.27Å; N930-F932 PolarHBondContact O-N 3.24Å; N930-M933 CarbonylContact O-C 3.49Å; N930-M933 PolarHBondContact O-N 2.81Å; N930-M933 VanDerWaalsContact O-N 3.08Å; N930-P934 WeakPolarHBondContact O-CA 3.27Å; N930-P934 VanDerWaalsContact O-N 3.08Å; N930-R957 PolarHBondContact OD1-NH1 3.24Å; N930-Y1012 PolarHBondContact OD1-OH 2.04Å
931	Q	85.3	Confident	88.3	Confident	36 Å²	36	18.5 Å²	18.5	17%	0.168	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-18.8	-179	-70.7	164.6	11.9	0	0	114.2	E927 R928 L929	E927-Q931 WeakPolarHBondContact O-CG 3.48Å; E927-Q931 PolarHBondContact O-N 3.37Å; R928-Q931 WeakPolarHBondContact O-CB 3.48Å; R928-Q931 PolarHBondContact O-N 2.65Å; L929-Q931 VanDerWaalsContact C-N 3.29Å; L929-Q931 PolarHBondContact O-N 3.22Å
932	F	88	Confident	87.9	Confident	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-85.8	-18.6	171	-57.8	-77.8	0	0	0	112.8	S877 G878 M880 S891 V893 R928 L929 N930 P934 T1046	S877-F932 CarbonylContact C-O 3.13Å; S877-F932 WeakPolarHBondContact CA-O 3.47Å; G878-F932 PolarHBondContact N-O 3.06Å; M880-F932 HydrophobicContact CB-CD1 4.3Å; M880-F932 HydrophobicContact CB-CE1 4Å; M880-F932 HydrophobicContact CB-CZ 4.3Å; M880-F932 HydrophobicContact CE-CD2 3.85Å; M880-F932 HydrophobicContact CE-CE2 3.57Å; M880-F932 HydrophobicContact CE-CZ 4.26Å; M880-F932 HydrophobicContact CG-CD1 3.74Å; M880-F932 HydrophobicContact CG-CD2 3.88Å; M880-F932 HydrophobicContact CG-CE1 3.48Å; M880-F932 VanDerWaalsContact CG-CE1 3.48Å; M880-F932 HydrophobicContact CG-CE2 3.59Å; M880-F932 HydrophobicContact CG-CG 3.96Å; M880-F932 HydrophobicContact CG-CZ 3.4Å; M880-F932 VanDerWaalsContact CG-CZ 3.4Å; M880-F932 HydrophobicContact SD-CE2 4.48Å; S891-F932 WeakPolarHBondContact OG-CZ 3.43Å; V893-F932 HydrophobicContact CG2-CD1 4.03Å; R928-F932 HydrophobicContact CG-CE2 4Å; R928-F932 VanDerWaalsContact O-CD2 3.29Å; R928-F932 WeakPolarHBondContact O-CD2 3.22Å; R928-F932 WeakPolarHBondContact O-CE2 3.31Å; L929-F932 PolarHBondContact O-N 3.09Å; N930-F932 VanDerWaalsContact C-N 3.27Å; N930-F932 PolarHBondContact O-N 3.24Å; F932-P934 VanDerWaalsContact C-CD 3.41Å; F932-T1046 HydrophobicContact CB-CG2 3.82Å; F932-T1046 HydrophobicContact CD2-CG2 4.02Å; F932-T1046 HydrophobicContact CG-CG2 3.98Å
933	M	89.9	Confident	87.5	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-133.6	57.8	179	-58.5	176.8	179.4	0	0	111.1	N930 S935 R957 I985 L987 I1010 T1046	N930-M933 CarbonylContact O-C 3.49Å; N930-M933 PolarHBondContact O-N 2.81Å; N930-M933 VanDerWaalsContact O-N 3.08Å; M933-S935 VanDerWaalsContact C-N 3.32Å; M933-S935 PolarHBondContact O-N 3.27Å; M933-R957 PolarHBondContact O-NH1 3.37Å; M933-R957 PolarHBondContact O-NH2 3.49Å; M933-I985 HydrophobicContact CB-CD1 4.22Å; M933-I985 HydrophobicContact CE-CG2 4.09Å; M933-I985 HydrophobicContact CG-CD1 4.33Å; M933-I985 HydrophobicContact SD-CD1 3.7Å; M933-I985 HydrophobicContact SD-CG1 3.76Å; M933-I985 HydrophobicContact SD-CG2 4.04Å; M933-L987 HydrophobicContact CE-CB 3.67Å; M933-L987 HydrophobicContact SD-CB 3.74Å; M933-I1010 HydrophobicContact CB-CD1 3.8Å; M933-I1010 HydrophobicContact SD-CD1 4.41Å; M933-I1010 HydrophobicContact SD-CG1 4.27Å; M933-T1046 HydrophobicContact CE-CG2 4.36Å
934	P	87.8	Confident	87.4	Confident	35 Å²	35	23.7 Å²	23.7	23%	0.227	12%	0.119	C	C	.	.			trans	-80.1	-6.7	-174	33.3	-39.5	0	0	0	114.7	Q856 I875 K876 S877 N930 F932	Q856-P934 PolarHBondContact NE2-O 2.85Å; I875-P934 HydrophobicContact CG2-CB 3.87Å; I875-P934 HydrophobicContact CG2-CG 3.43Å; I875-P934 VanDerWaalsContact CG2-CG 3.43Å; K876-P934 WeakPolarHBondContact O-CD 3.08Å; K876-P934 WeakPolarHBondContact O-CG 3.23Å; S877-P934 WeakPolarHBondContact OG-CD 3.39Å; N930-P934 WeakPolarHBondContact O-CA 3.27Å; N930-P934 VanDerWaalsContact O-N 3.08Å; F932-P934 VanDerWaalsContact C-CD 3.41Å
935	S	88.5	Confident	87.3	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.133	C	C	.	.			trans	-76.4	153.6	-176.7	-56.6	0	0	0	0	112.7	T854 G855 S877 M933	T854-S935 VanDerWaalsContact CB-OG 3.32Å; T854-S935 WeakPolarHBondContact CB-OG 3.36Å; T854-S935 PolarHBondContact OG1-OG 3.09Å; G855-S935 WeakPolarHBondContact O-CB 3.3Å; S877-S935 WeakPolarHBondContact OG-CB 3.16Å; S877-S935 PolarHBondContact OG-N 2.94Å; S877-S935 PolarHBondContact OG-OG 3.12Å; M933-S935 VanDerWaalsContact C-N 3.32Å; M933-S935 PolarHBondContact O-N 3.27Å
936	E	89.5	Confident	87	Confident	95 Å²	95	28.8 Å²	28.8	44%	0.444	15%	0.147	S	C	.	.	S	Bend	trans	-102.3	-29.6	176.6	-61.9	178.5	133.9	0	0	112	G855 Q856 V857 I955	G855-E936 PolarHBondContact O-N 2.73Å; Q856-E936 HydrophobicContact CG-CG 4.36Å; V857-E936 PolarHBondContact N-OE2 3.06Å; E936-I955 PolarHBondContact O-N 2.75Å
937	V	91.9	Very high	86.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.6	-178.5	-72.3	0	0	0	0	112.3	T854 G855 V857 V867 W952 I953 F954	T854-V937 CarbonylContact C-O 3.58Å; T854-V937 WeakPolarHBondContact CA-O 3.34Å; T854-V937 VanDerWaalsContact CB-O 3.22Å; T854-V937 WeakPolarHBondContact CB-O 3.43Å; G855-V937 PolarHBondContact N-O 2.81Å; G855-V937 WeakPolarHBondContact O-CG2 3.26Å; G855-V937 PolarHBondContact O-N 2.8Å; G855-V937 VanDerWaalsContact O-N 3.14Å; V857-V937 HydrophobicContact CG2-CB 4.36Å; V857-V937 HydrophobicContact CG2-CG1 3.49Å; V857-V937 VanDerWaalsContact CG2-CG1 3.49Å; V857-V937 HydrophobicContact CG2-CG2 3.91Å; V867-V937 HydrophobicContact CG1-CG2 3.7Å; V867-V937 HydrophobicContact CG2-CG2 3.96Å; V937-W952 HydrophobicContact CB-CB 4.27Å; V937-W952 HydrophobicContact CB-CE3 4.02Å; V937-W952 HydrophobicContact CG1-CB 4.46Å; V937-W952 HydrophobicContact CG2-CD2 4.35Å; V937-W952 HydrophobicContact CG2-CE3 3.73Å; V937-W952 HydrophobicContact CG2-CZ3 4.32Å; V937-I953 CarbonylContact C-O 3.56Å; V937-I953 VanDerWaalsContact CA-O 3.25Å; V937-I953 WeakPolarHBondContact CA-O 3.34Å; V937-F954 HydrophobicContact CG1-CD1 3.78Å; V937-F954 HydrophobicContact CG1-CD2 4.42Å; V937-F954 HydrophobicContact CG1-CE1 3.93Å; V937-F954 HydrophobicContact CG1-CG 4.05Å; V937-F954 HydrophobicContact CG1-CZ 4.31Å
938	I	93	Very high	86.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.9	172.2	-168.5	163.7	0	0	0	108.7	I852 T854 W952 I953 I955 I989 I1005 A1008	I852-I938 HydrophobicContact CG2-CD1 3.57Å; I852-I938 HydrophobicContact CG2-CG1 3.58Å; T854-I938 HydrophobicContact CG2-CB 4.23Å; T854-I938 HydrophobicContact CG2-CG1 4.06Å; I938-W952 WeakPolarHBondContact O-CA 3.06Å; I938-I953 HydrophobicContact CG2-CB 3.77Å; I938-I953 HydrophobicContact CG2-CG2 4.05Å; I938-I953 PolarHBondContact N-O 2.85Å; I938-I953 PolarHBondContact O-N 2.81Å; I938-I955 HydrophobicContact CB-CD1 4.19Å; I938-I955 HydrophobicContact CB-CG1 4.1Å; I938-I955 HydrophobicContact CG2-CG1 4.21Å; I938-I989 HydrophobicContact CD1-CD1 4.05Å; I938-I989 HydrophobicContact CD1-CG1 4.4Å; I938-I989 HydrophobicContact CD1-CG2 4.41Å; I938-I1005 HydrophobicContact CD1-CD1 3.67Å; I938-I1005 HydrophobicContact CD1-CG2 4.38Å; I938-I1005 HydrophobicContact CG1-CD1 3.88Å; I938-I1005 HydrophobicContact CG2-CG2 4.17Å; I938-A1008 HydrophobicContact CD1-CB 4.33Å; I938-A1008 HydrophobicContact CG2-CB 3.79Å
939	A	91	Very high	86.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	142.9	178	0	0	0	0	0	111.3	I853 Y941 A944 W952	I853-A939 HydrophobicContact CB-CB 3.94Å; I853-A939 WeakPolarHBondContact O-CB 3.5Å; I853-A939 PolarHBondContact O-N 2.82Å; A939-Y941 VanDerWaalsContact C-N 3.34Å; A939-A944 HydrophobicContact CB-CB 3.65Å; A939-W952 HydrophobicContact CB-CE3 4.06Å; A939-W952 HydrophobicContact CB-CH2 4.1Å; A939-W952 HydrophobicContact CB-CZ3 3.81Å
940	T	89.9	Confident	86.1	Confident	14 Å²	14	41.9 Å²	41.9	9%	0.086	22%	0.223	C	C	.	.	S	Bend	trans	-70	-33	175.6	-58.6	0	0	0	0	111.6	D951 Q1004 I1005	T940-D951 WeakPolarHBondContact CB-O 3.33Å; T940-D951 PolarHBondContact N-O 3.23Å; T940-D951 VanDerWaalsContact OG1-C 3.3Å; T940-D951 PolarHBondContact OG1-O 2.04Å; T940-Q1004 HydrophobicContact CG2-CB 4.04Å; T940-Q1004 HydrophobicContact CG2-CG 4.45Å; T940-Q1004 WeakPolarHBondContact O-CA 3.47Å; T940-I1005 PolarHBondContact O-N 3.43Å
941	Y	85.2	Confident	86	Confident	49 Å²	49	41.1 Å²	41.1	19%	0.192	22%	0.219	C	C	.	.	S	Bend	trans	-152.9	164.2	179.8	44	-104	0	0	0	111.4	A939 Q943 A944 D951 Q1004	A939-Y941 VanDerWaalsContact C-N 3.34Å; Y941-Q943 VanDerWaalsContact C-N 3.26Å; Y941-Q943 PolarHBondContact O-N 3.03Å; Y941-Q943 VanDerWaalsContact O-N 3.09Å; Y941-A944 HydrophobicContact CE2-CB 4.44Å; Y941-A944 PolarHBondContact O-N 3.08Å; Y941-D951 PolarHBondContact OH-OD1 2.83Å; Y941-D951 PolarHBondContact OH-OD2 3.01Å; Y941-Q1004 HydrophobicContact CD1-CG 4.45Å
942	P	79.6	Confident	86.3	Confident	24 Å²	24	39.9 Å²	39.9	16%	0.156	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23	-172	-22.9	29.7	0	0	0	116.8	H842 G845 Y846 I853	H842-P942 HydrophobicContact CB-CB 4.29Å; H842-P942 HydrophobicContact CB-CG 4.2Å; H842-P942 WeakPolarHBondContact O-CB 3.43Å; H842-P942 WeakPolarHBondContact O-CG 3.42Å; G845-P942 VanDerWaalsContact C-CD 3.48Å; G845-P942 WeakPolarHBondContact O-CD 3.24Å; G845-P942 WeakPolarHBondContact O-CG 3.47Å; Y846-P942 HydrophobicContact CD1-CG 3.57Å; Y846-P942 HydrophobicContact CE1-CB 4.22Å; Y846-P942 HydrophobicContact CE1-CG 3.63Å; Y846-P942 HydrophobicContact CG-CG 4.12Å; I853-P942 WeakPolarHBondContact CD1-O 2.96Å
943	Q	80.9	Confident	86.5	Confident	108 Å²	108	41.3 Å²	41.3	51%	0.505	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	35.7	179.8	-60.1	-164.8	36.8	0	0	113.5	L843 Y941 S945	L843-Q943 HydrophobicContact CD1-CB 4.29Å; L843-Q943 HydrophobicContact CD1-CG 4.41Å; Y941-Q943 VanDerWaalsContact C-N 3.26Å; Y941-Q943 PolarHBondContact O-N 3.03Å; Y941-Q943 VanDerWaalsContact O-N 3.09Å; Q943-S945 PolarHBondContact O-N 3.07Å
944	A	84.4	Confident	86.6	Confident	14 Å²	14	46.8 Å²	46.8	12%	0.116	24%	0.244	C	C	.	.			trans	-54	124.5	176.4	0	0	0	0	0	113.2	A939 Y941 K946 D951 W952	A939-A944 HydrophobicContact CB-CB 3.65Å; Y941-A944 HydrophobicContact CE2-CB 4.44Å; Y941-A944 PolarHBondContact O-N 3.08Å; A944-K946 PolarHBondContact O-N 3.37Å; A944-D951 HydrophobicContact CB-CB 3.86Å; A944-D951 WeakPolarHBondContact CB-O 3.12Å; A944-W952 HydrophobicContact CB-CD2 4.43Å; A944-W952 HydrophobicContact CB-CH2 4.49Å; A944-W952 HydrophobicContact CB-CZ2 3.84Å
945	S	82.3	Confident	86.8	Confident	47 Å²	47	45.9 Å²	45.9	33%	0.329	24%	0.237	S	C	.	.			trans	-67.1	123	177.1	176.2	0	0	0	0	111.1	Q943 T947 S948 D951 W952	Q943-S945 PolarHBondContact O-N 3.07Å; S945-T947 PolarHBondContact O-N 2.89Å; S945-T947 PolarHBondContact OG-OG1 2.87Å; S945-S948 PolarHBondContact O-N 3.35Å; S945-D951 WeakPolarHBondContact CB-OD2 3.45Å; S945-D951 PolarHBondContact N-OD2 3.24Å; S945-W952 PolarHBondContact O-NE1 3Å
946	K	82.8	Confident	87.1	Confident	66 Å²	66	52.9 Å²	52.9	29%	0.287	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.4	-177.9	-56.4	-170.6	-175.5	-161.8	0	114.3	L866 V867 T869 E872 A944	L866-K946 WeakPolarHBondContact CA-O 3.4Å; V867-K946 PolarHBondContact N-O 2.97Å; T869-K946 HydrophobicContact CG2-CD 4.04Å; T869-K946 HydrophobicContact CG2-CG 4.31Å; T869-K946 PolarHBondContact OG1-NZ 2.8Å; E872-K946 IonicContact OE1-NZ 2.72Å; E872-K946 PolarHBondContact OE1-NZ 3.29Å; E872-K946 IonicContact OE2-NZ 2.65Å; E872-K946 PolarHBondContact OE2-NZ 2.76Å; A944-K946 PolarHBondContact O-N 3.37Å
947	T	79.7	Confident	87.2	Confident	94 Å²	94	51.9 Å²	51.9	58%	0.577	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-5.3	-178.6	56.2	0	0	0	0	114.3	F865 L866 S945	F865-T947 WeakPolarHBondContact O-CA 3.44Å; L866-T947 HydrophobicContact CD1-CG2 4.29Å; S945-T947 PolarHBondContact O-N 2.89Å; S945-T947 PolarHBondContact OG-OG1 2.87Å
948	S	83	Confident	87	Confident	29 Å²	29	55 Å²	55	20%	0.203	27%	0.272	C	S	.	.			trans	-98.3	122.2	175.7	176.3	0	0	0	0	109.8	F865 S945 E950 D951 W952	F865-S948 VanDerWaalsContact CD1-C 3.49Å; F865-S948 VanDerWaalsContact CE1-O 3.31Å; F865-S948 WeakPolarHBondContact CE1-O 3.43Å; S945-S948 PolarHBondContact O-N 3.35Å; S948-E950 PolarHBondContact O-N 2.89Å; S948-E950 PolarHBondContact OG-N 2.65Å; S948-D951 WeakPolarHBondContact CB-OD1 3.28Å; S948-D951 PolarHBondContact OG-OD1 2.82Å; S948-W952 VanDerWaalsContact O-CD1 3.29Å
949	P	83.1	Confident	86.4	Confident	61 Å²	61	60.3 Å²	60.3	40%	0.396	30%	0.301	S	S	.	.	S	Bend	trans	-73.9	-11.5	177	30.8	-34.8	0	0	0	113.6	F865	F865-P949 HydrophobicContact CB-CB 4.32Å; F865-P949 HydrophobicContact CD1-CB 4.01Å; F865-P949 HydrophobicContact CD2-CB 3.93Å; F865-P949 HydrophobicContact CE1-CB 4.25Å; F865-P949 HydrophobicContact CE2-CB 4.19Å; F865-P949 HydrophobicContact CG-CB 3.82Å; F865-P949 HydrophobicContact CZ-CB 4.34Å
950	E	83.2	Confident	85.8	Confident	169 Å²	169	61.4 Å²	61.4	79%	0.79	31%	0.308	S	S	*	.	S	Bend	trans	-84.1	-22.9	-179	-62.4	177.5	-164.3	0	0	111.8	S948 W952	S948-E950 PolarHBondContact O-N 2.89Å; S948-E950 PolarHBondContact OG-N 2.65Å; E950-W952 PolarHBondContact O-N 2.88Å
951	D	88.2	Confident	84.7	Confident	19 Å²	19	66 Å²	66	10%	0.102	34%	0.335	C	S	.	.	S	Bend	trans	-77.1	-3.4	177.3	-63.6	48.6	0	0	0	113.2	T940 Y941 A944 S945 S948	T940-D951 WeakPolarHBondContact CB-O 3.33Å; T940-D951 PolarHBondContact N-O 3.23Å; T940-D951 VanDerWaalsContact OG1-C 3.3Å; T940-D951 PolarHBondContact OG1-O 2.04Å; Y941-D951 PolarHBondContact OH-OD1 2.83Å; Y941-D951 PolarHBondContact OH-OD2 3.01Å; A944-D951 HydrophobicContact CB-CB 3.86Å; A944-D951 WeakPolarHBondContact CB-O 3.12Å; S945-D951 WeakPolarHBondContact CB-OD2 3.45Å; S945-D951 PolarHBondContact N-OD2 3.24Å; S948-D951 WeakPolarHBondContact CB-OD1 3.28Å; S948-D951 PolarHBondContact OG-OD1 2.82Å
952	W	90.3	Very high	83.6	Confident	10 Å²	10	67.3 Å²	67.3	4%	0.038	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.5	-173	-61.2	82.3	0	0	0	112.7	I853 F865 V867 T869 V937 I938 A939 A944 S945 S948 E950	I853-W952 HydrophobicContact CG2-CH2 3.78Å; I853-W952 HydrophobicContact CG2-CZ3 4.25Å; F865-W952 HydrophobicContact CE1-CB 4.5Å; F865-W952 AromaticContact CE1-CD1 3.72Å; F865-W952 HydrophobicContact CE1-CG 4.22Å; F865-W952 HydrophobicContact CZ-CB 4.21Å; F865-W952 HydrophobicContact CZ-CG 4.31Å; V867-W952 HydrophobicContact CB-CD2 4.39Å; V867-W952 HydrophobicContact CB-CZ2 4.17Å; V867-W952 HydrophobicContact CG1-CD2 4.24Å; V867-W952 HydrophobicContact CG1-CE3 4.09Å; V867-W952 HydrophobicContact CG1-CH2 3.86Å; V867-W952 HydrophobicContact CG1-CZ2 4Å; V867-W952 HydrophobicContact CG1-CZ3 3.9Å; V867-W952 HydrophobicContact CG2-CD2 3.9Å; V867-W952 HydrophobicContact CG2-CE3 4.43Å; V867-W952 HydrophobicContact CG2-CG 4.06Å; T869-W952 HydrophobicContact CG2-CH2 3.74Å; T869-W952 HydrophobicContact CG2-CZ2 4.17Å; V937-W952 HydrophobicContact CB-CB 4.27Å; V937-W952 HydrophobicContact CB-CE3 4.02Å; V937-W952 HydrophobicContact CG1-CB 4.46Å; V937-W952 HydrophobicContact CG2-CD2 4.35Å; V937-W952 HydrophobicContact CG2-CE3 3.73Å; V937-W952 HydrophobicContact CG2-CZ3 4.32Å; I938-W952 WeakPolarHBondContact O-CA 3.06Å; A939-W952 HydrophobicContact CB-CE3 4.06Å; A939-W952 HydrophobicContact CB-CH2 4.1Å; A939-W952 HydrophobicContact CB-CZ3 3.81Å; A944-W952 HydrophobicContact CB-CD2 4.43Å; A944-W952 HydrophobicContact CB-CH2 4.49Å; A944-W952 HydrophobicContact CB-CZ2 3.84Å; S945-W952 PolarHBondContact O-NE1 3Å; S948-W952 VanDerWaalsContact O-CD1 3.29Å; E950-W952 PolarHBondContact O-N 2.88Å
953	I	92.2	Very high	82.4	Confident	31 Å²	31	72.8 Å²	72.8	16%	0.159	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.2	177.4	-71.1	151.7	0	0	0	109.2	V937 I938 I955 I1005	V937-I953 CarbonylContact C-O 3.56Å; V937-I953 VanDerWaalsContact CA-O 3.25Å; V937-I953 WeakPolarHBondContact CA-O 3.34Å; I938-I953 HydrophobicContact CG2-CB 3.77Å; I938-I953 HydrophobicContact CG2-CG2 4.05Å; I938-I953 PolarHBondContact N-O 2.85Å; I938-I953 PolarHBondContact O-N 2.81Å; I953-I955 PolarHBondContact O-N 2.89Å; I953-I1005 VanDerWaalsContact CD1-C 3.48Å; I953-I1005 HydrophobicContact CD1-CB 4.42Å; I953-I1005 HydrophobicContact CD1-CG2 4.06Å; I953-I1005 WeakPolarHBondContact CD1-O 3.34Å
954	F	92	Very high	81	Confident	117 Å²	117	71.6 Å²	71.6	51%	0.513	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.8	173	-74	-90.7	0	0	0	110.6	V857 F865 V937 R956	V857-F954 HydrophobicContact CG2-CE1 3.83Å; V857-F954 HydrophobicContact CG2-CZ 4.21Å; F865-F954 HydrophobicContact CE2-CZ 4.19Å; V937-F954 HydrophobicContact CG1-CD1 3.78Å; V937-F954 HydrophobicContact CG1-CD2 4.42Å; V937-F954 HydrophobicContact CG1-CE1 3.93Å; V937-F954 HydrophobicContact CG1-CG 4.05Å; V937-F954 HydrophobicContact CG1-CZ 4.31Å; F954-R956 PolarHBondContact O-N 2.97Å
955	I	93	Very high	79.2	Confident	16 Å²	16	75 Å²	75	8%	0.082	40%	0.395	C	S	.	.			trans	-75.5	106.6	179.7	-55	173.5	0	0	0	108.3	E936 I938 I953 R957 L987 A1008 I1010	E936-I955 PolarHBondContact O-N 2.75Å; I938-I955 HydrophobicContact CB-CD1 4.19Å; I938-I955 HydrophobicContact CB-CG1 4.1Å; I938-I955 HydrophobicContact CG2-CG1 4.21Å; I953-I955 PolarHBondContact O-N 2.89Å; I955-R957 PolarHBondContact O-N 3.4Å; I955-L987 HydrophobicContact CG2-CD1 3.88Å; I955-A1008 HydrophobicContact CG1-CB 4.19Å; I955-A1008 HydrophobicContact CG2-CB 4.35Å; I955-I1010 HydrophobicContact CG2-CB 4.5Å; I955-I1010 HydrophobicContact CG2-CD1 3.69Å; I955-I1010 HydrophobicContact CG2-CG1 3.68Å
956	R	93.3	Very high	77.1	Confident	148 Å²	148	79.4 Å²	79.4	56%	0.558	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	99.4	-176.8	-177.7	-174.2	176	168.8	6.2	111.1	F954 N958 A1008 S1009 I1010	F954-R956 PolarHBondContact O-N 2.97Å; R956-N958 PolarHBondContact NE-OD1 3.45Å; R956-A1008 PolarHBondContact N-O 2.79Å; R956-S1009 CarbonylContact O-C 3.58Å; R956-S1009 WeakPolarHBondContact O-CA 3.31Å; R956-S1009 VanDerWaalsContact O-CB 3.23Å; R956-S1009 WeakPolarHBondContact O-CB 3.45Å; R956-I1010 PolarHBondContact O-N 3.4Å
957	R	92	Very high	75	Confident	74 Å²	74	78 Å²	78	28%	0.279	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111	177.1	-169.2	-176.7	-58.5	-95.5	-3.7	111.9	N930 M933 I955 N959 I1010 Y1012	N930-R957 PolarHBondContact OD1-NH1 3.24Å; M933-R957 PolarHBondContact O-NH1 3.37Å; M933-R957 PolarHBondContact O-NH2 3.49Å; I955-R957 PolarHBondContact O-N 3.4Å; R957-N959 WeakPolarHBondContact CD-OD1 3.46Å; R957-N959 WeakPolarHBondContact CG-OD1 3.34Å; R957-N959 PolarHBondContact O-N 2.64Å; R957-I1010 HydrophobicContact CB-CB 4.29Å; R957-I1010 HydrophobicContact CG-CB 4.1Å; R957-I1010 HydrophobicContact CG-CG2 3.99Å; R957-Y1012 WeakPolarHBondContact CD-OH 3.35Å; R957-Y1012 HydrophobicContact CG-CE2 4.11Å; R957-Y1012 PolarHBondContact NH1-OH 3.44Å
958	N	87.3	Confident	73.4	Confident	65 Å²	65	81.7 Å²	81.7	35%	0.348	44%	0.441	S	S	.	.			trans	-89.2	85.6	172	-65.3	-28.8	0	0	0	109.1	R956 I1010 E1011 Y1012	R956-N958 PolarHBondContact NE-OD1 3.45Å; N958-I1010 PolarHBondContact N-O 2.95Å; N958-E1011 HydrophobicContact CB-CG 4.49Å; N958-Y1012 VanDerWaalsContact O-CD2 3.26Å; N958-Y1012 WeakPolarHBondContact O-CD2 3.45Å; N958-Y1012 WeakPolarHBondContact O-CE2 3.24Å
959	N	81.8	Confident	71.4	Confident	112 Å²	112	86 Å²	86	60%	0.599	46%	0.461	S	S	*	.			trans	-54.8	142.9	-179.4	-73.4	-19.4	0	0	0	112.3	R957	R957-N959 WeakPolarHBondContact CD-OD1 3.46Å; R957-N959 WeakPolarHBondContact CG-OD1 3.34Å; R957-N959 PolarHBondContact O-N 2.64Å
960	P	77.8	Confident	69.4	Low	23 Å²	23	91 Å²	91	15%	0.149	49%	0.485	C	S	.	.			trans	-64.9	144.3	-178.2	28.4	-35	0	0	0	111.1	I926 L962	I926-P960 HydrophobicContact CD1-CG 3.62Å; I926-P960 HydrophobicContact CG1-CG 4.15Å; P960-L962 PolarHBondContact O-N 2.81Å
961	V	67.4	Low	67.4	Low	110 Å²	110	87.8 Å²	87.8	67%	0.667	48%	0.477	S	S	*	.			trans	-71	101.6	-179.6	-178.2	0	0	0	0	109.4	Q963	V961-Q963 HydrophobicContact CG1-CG 4.17Å; V961-Q963 PolarHBondContact O-N 3.19Å
962	L	62.7	Low	65.2	Low	77 Å²	77	92.5 Å²	92.5	40%	0.403	51%	0.511	S	S	.	.			trans	-67.9	86.8	166	-65	178.5	0	0	0	108.7	L739 I926 P960 S964	L739-L962 HydrophobicContact CD2-CD1 4.33Å; I926-L962 HydrophobicContact CD1-CD2 4.32Å; P960-L962 PolarHBondContact O-N 2.81Å; L962-S964 PolarHBondContact O-N 2.72Å
963	Q	54	Low	63.3	Low	139 Å²	139	96.4 Å²	96.4	65%	0.65	55%	0.546	S	S	*	.			trans	-60.9	105.9	168.2	-70.7	-173.6	-2.4	0	0	108.4	V961 S965	V961-Q963 HydrophobicContact CG1-CG 4.17Å; V961-Q963 PolarHBondContact O-N 3.19Å; Q963-S965 PolarHBondContact O-N 3.07Å
964	S	50	Low	61.6	Low	83 Å²	83	100.8 Å²	100.8	58%	0.58	57%	0.569	S	S	*	*			trans	-58.4	123.3	168.4	-71.4	0	0	0	0	109	L962 T966	L962-S964 PolarHBondContact O-N 2.72Å; S964-T966 PolarHBondContact O-N 2.04Å
965	S	46.5	Very low	60.4	Low	85 Å²	85	102.6 Å²	102.6	59%	0.594	58%	0.582	S	S	*	*			trans	-66.8	65.4	171.2	36.6	0	0	0	0	111.6	K738 Q963 G967	K738-S965 PolarHBondContact NZ-OG 2.82Å; Q963-S965 PolarHBondContact O-N 3.07Å; S965-G967 PolarHBondContact O-N 2.85Å
966	T	39.4	Very low	59.5	Low	140 Å²	140	102 Å²	102	86%	0.859	58%	0.58	S	S	*	*			trans	-81.1	54.9	171.4	55.3	0	0	0	0	110.4	S964	S964-T966 PolarHBondContact O-N 2.04Å
967	G	38.4	Very low	59	Low	36 Å²	36	98 Å²	98	37%	0.371	57%	0.567	S	S	.	*			trans	-132.4	126	178.5	0	0	0	0	0	110	S965 D969	S965-G967 PolarHBondContact O-N 2.85Å; G967-D969 PolarHBondContact O-N 2.91Å
968	N	46.2	Very low	58.7	Low	172 Å²	172	94.5 Å²	94.5	92%	0.92	55%	0.554	S	S	*	*			trans	-79.1	53.4	170.6	-87.1	-18.8	0	0	0	109.9	N970	N968-N970 PolarHBondContact O-N 2.83Å; N968-N970 VanDerWaalsContact O-N 3.09Å
969	D	41.7	Very low	58.7	Low	118 Å²	118	93.8 Å²	93.8	63%	0.631	55%	0.553	S	S	*	*			trans	-87.7	83.8	-170	-73.6	-50.6	0	0	0	111.3	G967 T971	G967-D969 PolarHBondContact O-N 2.91Å; D969-T971 PolarHBondContact O-N 2.78Å
970	N	40.9	Very low	59	Low	166 Å²	166	91.1 Å²	91.1	89%	0.888	54%	0.539	S	S	*	.			trans	-67.5	13.7	159.9	-75.5	-30.4	0	0	0	112.6	N968 S972	N968-N970 PolarHBondContact O-N 2.83Å; N968-N970 VanDerWaalsContact O-N 3.09Å; N970-S972 PolarHBondContact O-N 3.21Å
971	T	40.6	Very low	59.6	Low	102 Å²	102	90 Å²	90	63%	0.626	53%	0.531	S	S	*	.	S	Bend	trans	-68.2	113.7	166.7	57.1	0	0	0	0	108.2	D969 A973	D969-T971 PolarHBondContact O-N 2.78Å; T971-A973 PolarHBondContact O-N 2.8Å
972	S	42.8	Very low	60.7	Low	118 Å²	118	84.8 Å²	84.8	83%	0.825	50%	0.5	S	S	*	.			trans	-39.9	104.6	-174.8	-52.3	0	0	0	0	112.8	N970 L974	N970-S972 PolarHBondContact O-N 3.21Å; S972-L974 PolarHBondContact O-N 2.67Å
973	A	49.2	Very low	62	Low	93 Å²	93	81.1 Å²	81.1	77%	0.769	48%	0.48	S	S	*	.			trans	-58.4	116.4	174.3	0	0	0	0	0	108.3	T971 I975	T971-A973 PolarHBondContact O-N 2.8Å; A973-I975 PolarHBondContact O-N 2.75Å; A973-I975 VanDerWaalsContact O-N 3.08Å
974	L	57	Low	63.8	Low	122 Å²	122	74.9 Å²	74.9	64%	0.639	45%	0.452	S	S	*	.			trans	-58.2	115.9	178.2	-87	149.9	0	0	0	108.2	S972 G976 F977	S972-L974 PolarHBondContact O-N 2.67Å; L974-G976 PolarHBondContact O-N 2.77Å; L974-G976 VanDerWaalsContact O-N 3.14Å; L974-F977 HydrophobicContact CB-CB 3.67Å; L974-F977 HydrophobicContact CB-CG 4.45Å; L974-F977 WeakPolarHBondContact O-CB 3.34Å; L974-F977 PolarHBondContact O-N 3.4Å
975	I	66.8	Low	65.9	Low	155 Å²	155	70.9 Å²	70.9	80%	0.795	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	120.4	-179.1	-61.5	173.8	0	0	0	107.6	L912 A973	L912-I975 HydrophobicContact CD2-CG2 4.38Å; A973-I975 PolarHBondContact O-N 2.75Å; A973-I975 VanDerWaalsContact O-N 3.08Å
976	G	73.9	Confident	68.1	Low	3 Å²	3	69.7 Å²	69.7	3%	0.031	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	10	-173	0	0	0	0	0	115.8	F915 L974 Q1018 F1019	F915-G976 WeakPolarHBondContact CD1-O 3.33Å; F915-G976 WeakPolarHBondContact CE1-O 3.08Å; L974-G976 PolarHBondContact O-N 2.77Å; L974-G976 VanDerWaalsContact O-N 3.14Å; G976-Q1018 CarbonylContact O-C 3.49Å; G976-Q1018 WeakPolarHBondContact O-CA 3.46Å; G976-F1019 PolarHBondContact O-N 2.89Å
977	F	83.4	Confident	70.8	Confident	66 Å²	66	63.1 Å²	63.1	29%	0.289	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.8	177.2	-178.1	-101.1	0	0	0	112.9	L974 P979 N1016 Q1018	L974-F977 HydrophobicContact CB-CB 3.67Å; L974-F977 HydrophobicContact CB-CG 4.45Å; L974-F977 WeakPolarHBondContact O-CB 3.34Å; L974-F977 PolarHBondContact O-N 3.4Å; F977-P979 HydrophobicContact CE1-CB 3.85Å; F977-P979 HydrophobicContact CE1-CG 4.01Å; F977-P979 HydrophobicContact CZ-CB 4.09Å; F977-N1016 HydrophobicContact CE2-CB 3.93Å; F977-N1016 HydrophobicContact CZ-CB 4.01Å; F977-Q1018 HydrophobicContact CD2-CB 4.06Å; F977-Q1018 HydrophobicContact CD2-CG 4.27Å
978	C	85.3	Confident	73.4	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.8	172.4	-75.2	0	0	0	0	111.7	F915 C918 L921 I981 W1017	F915-C978 HydrophobicContact CD1-CB 3.89Å; F915-C978 VanDerWaalsContact CD1-SG 3.51Å; F915-C978 HydrophobicContact CE1-CB 4.1Å; C918-C978 WeakPolarHBondContact CA-SG 3.46Å; C918-C978 HydrophobicContact CB-CB 3.69Å; C918-C978 WeakPolarHBondContact CB-SG 3.4Å; C918-C978 WeakPolarHBondContact SG-CA 3.39Å; C918-C978 WeakPolarHBondContact SG-CB 3.26Å; C918-C978 CovalentContact SG-SG 2.04Å; C918-C978 PolarHBondContact SG-SG 2.04Å; L921-C978 HydrophobicContact CD2-CB 4.41Å; C978-I981 HydrophobicContact CB-CD1 3.95Å; C978-I981 HydrophobicContact CB-CG1 3.91Å; C978-W1017 PolarHBondContact N-O 2.99Å; C978-W1017 PolarHBondContact O-N 2.71Å
979	P	87.2	Confident	75.6	Confident	49 Å²	49	56.3 Å²	56.3	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155.3	178.6	32.1	-34	0	0	0	112.8	R922 F977 I981 N1016	R922-P979 PolarHBondContact NH2-O 2.89Å; F977-P979 HydrophobicContact CE1-CB 3.85Å; F977-P979 HydrophobicContact CE1-CG 4.01Å; F977-P979 HydrophobicContact CZ-CB 4.09Å; P979-I981 VanDerWaalsContact C-N 3.34Å; P979-I981 PolarHBondContact O-N 3.2Å; P979-N1016 WeakPolarHBondContact CA-OD1 3.25Å; P979-N1016 WeakPolarHBondContact CB-OD1 3.26Å
980	N	87.2	Confident	78	Confident	57 Å²	57	53 Å²	53	31%	0.305	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.5	47.9	177	-57	-27.6	0	0	0	113.2	R922 Q1014 E1015 N1016	R922-N980 VanDerWaalsContact CD-O 3.28Å; R922-N980 WeakPolarHBondContact CD-O 3.47Å; R922-N980 PolarHBondContact NE-O 3.07Å; N980-Q1014 HydrophobicContact CB-CB 4.46Å; N980-Q1014 PolarHBondContact O-NE2 2.77Å; N980-E1015 CarbonylContact C-O 3.53Å; N980-E1015 WeakPolarHBondContact CA-O 3.38Å; N980-E1015 PolarHBondContact N-O 2.88Å; N980-N1016 PolarHBondContact N-OD1 2.91Å
981	I	90.1	Very high	80.3	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.3	166.3	-59.9	-58.7	0	0	0	108.5	L921 R922 I925 C978 P979 S983 Q1014 E1015 W1017	L921-I981 HydrophobicContact CD2-CD1 4.26Å; L921-I981 HydrophobicContact CG-CD1 4.21Å; R922-I981 HydrophobicContact CB-CD1 3.81Å; R922-I981 HydrophobicContact CG-CD1 4.29Å; I925-I981 HydrophobicContact CB-CG2 4.48Å; I925-I981 HydrophobicContact CG1-CG2 4.31Å; I925-I981 HydrophobicContact CG2-CG2 4.39Å; C978-I981 HydrophobicContact CB-CD1 3.95Å; C978-I981 HydrophobicContact CB-CG1 3.91Å; P979-I981 VanDerWaalsContact C-N 3.34Å; P979-I981 PolarHBondContact O-N 3.2Å; I981-S983 PolarHBondContact O-N 2.84Å; I981-Q1014 CarbonylContact O-C 3.58Å; I981-Q1014 VanDerWaalsContact O-CA 3.29Å; I981-Q1014 WeakPolarHBondContact O-CA 3.35Å; I981-E1015 PolarHBondContact N-O 2.86Å; I981-E1015 PolarHBondContact O-N 2.89Å; I981-W1017 HydrophobicContact CB-CD2 3.99Å; I981-W1017 HydrophobicContact CB-CE3 4.23Å; I981-W1017 HydrophobicContact CB-CG 4.18Å; I981-W1017 HydrophobicContact CG1-CB 4.31Å; I981-W1017 HydrophobicContact CG1-CD2 4.26Å; I981-W1017 HydrophobicContact CG1-CE3 4.23Å; I981-W1017 HydrophobicContact CG1-CG 4.29Å; I981-W1017 HydrophobicContact CG2-CD2 3.77Å; I981-W1017 HydrophobicContact CG2-CE3 3.69Å; I981-W1017 HydrophobicContact CG2-CG 4.47Å; I981-W1017 HydrophobicContact CG2-CH2 3.97Å; I981-W1017 HydrophobicContact CG2-CZ2 4.03Å; I981-W1017 HydrophobicContact CG2-CZ3 3.77Å
982	T	91.7	Very high	82.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	98.8	179.6	-51.9	0	0	0	0	110	I925 I926 L929 Y1012 S1013 Q1014	I925-T982 WeakPolarHBondContact CG2-O 3.25Å; I926-T982 HydrophobicContact CG1-CG2 4.32Å; I926-T982 WeakPolarHBondContact CG1-OG1 3.45Å; L929-T982 HydrophobicContact CD1-CG2 3.8Å; L929-T982 VanDerWaalsContact CD1-O 3.3Å; L929-T982 WeakPolarHBondContact CD1-O 3.01Å; T982-Y1012 HydrophobicContact CG2-CD1 3.72Å; T982-Y1012 HydrophobicContact CG2-CG 4.1Å; T982-S1013 WeakPolarHBondContact CA-O 3.46Å; T982-S1013 WeakPolarHBondContact CG2-O 3.18Å; T982-Q1014 PolarHBondContact OG1-NE2 2.79Å
983	S	89.7	Confident	84.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-32.1	179.6	62.7	0	0	0	0	113.3	I981 S1013 E1015 L1044 N1045	I981-S983 PolarHBondContact O-N 2.84Å; S983-S1013 PolarHBondContact N-O 2.81Å; S983-E1015 WeakPolarHBondContact CB-OE2 3.38Å; S983-E1015 PolarHBondContact OG-OE2 3.44Å; S983-L1044 CarbonylContact O-C 3.58Å; S983-L1044 VanDerWaalsContact O-CA 3.26Å; S983-L1044 WeakPolarHBondContact O-CA 3.39Å; S983-N1045 PolarHBondContact O-N 3.27Å
984	T	92.1	Very high	85.4	Confident	7 Å²	7	39 Å²	39	4%	0.043	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135	-164	-54.7	0	0	0	0	111.6	Y986 Y1012 S1013 N1045 I1047	T984-Y986 HydrophobicContact CG2-CD2 4.11Å; T984-Y986 HydrophobicContact CG2-CE1 4.12Å; T984-Y986 HydrophobicContact CG2-CE2 3.53Å; T984-Y1012 CarbonylContact O-C 3.56Å; T984-Y1012 VanDerWaalsContact O-CA 3.26Å; T984-Y1012 WeakPolarHBondContact O-CA 3.5Å; T984-S1013 PolarHBondContact O-N 3.08Å; T984-N1045 WeakPolarHBondContact CA-O 3.42Å; T984-N1045 HydrophobicContact CG2-CB 3.84Å; T984-N1045 PolarHBondContact OG1-ND2 3.38Å; T984-I1047 HydrophobicContact CG2-CD1 3.87Å; T984-I1047 HydrophobicContact CG2-CG1 4.2Å
985	I	93.9	Very high	86.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	169.3	-167	175.9	0	0	0	110.1	L929 M933 I1010 Y1012 N1045 T1046 I1047	L929-I985 HydrophobicContact CB-CB 4.13Å; L929-I985 HydrophobicContact CB-CD1 4.26Å; L929-I985 HydrophobicContact CB-CG2 4.13Å; L929-I985 HydrophobicContact CD1-CB 4.39Å; L929-I985 HydrophobicContact CD2-CB 4.33Å; L929-I985 HydrophobicContact CD2-CG2 3.89Å; L929-I985 HydrophobicContact CG-CG2 4.49Å; M933-I985 HydrophobicContact CB-CD1 4.22Å; M933-I985 HydrophobicContact CE-CG2 4.09Å; M933-I985 HydrophobicContact CG-CD1 4.33Å; M933-I985 HydrophobicContact SD-CD1 3.7Å; M933-I985 HydrophobicContact SD-CG1 3.76Å; M933-I985 HydrophobicContact SD-CG2 4.04Å; I985-I1010 HydrophobicContact CD1-CG2 3.8Å; I985-I1010 HydrophobicContact CG1-CG2 3.76Å; I985-Y1012 HydrophobicContact CB-CD1 4.08Å; I985-Y1012 HydrophobicContact CB-CE1 4.26Å; I985-Y1012 HydrophobicContact CD1-CD1 4.23Å; I985-Y1012 HydrophobicContact CD1-CE1 3.55Å; I985-Y1012 HydrophobicContact CG1-CD1 3.82Å; I985-Y1012 HydrophobicContact CG1-CE1 3.66Å; I985-N1045 PolarHBondContact N-O 2.8Å; I985-T1046 HydrophobicContact CG2-CG2 3.42Å; I985-T1046 VanDerWaalsContact CG2-CG2 3.42Å; I985-I1047 PolarHBondContact O-N 3.06Å
986	Y	93.4	Very high	86.1	Confident	60 Å²	60	34.3 Å²	34.3	24%	0.235	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.3	178.9	-58.7	-95.7	0	0	0	109.9	T984 I1010 E1011 I1047 I1049	T984-Y986 HydrophobicContact CG2-CD2 4.11Å; T984-Y986 HydrophobicContact CG2-CE1 4.12Å; T984-Y986 HydrophobicContact CG2-CE2 3.53Å; Y986-I1010 VanDerWaalsContact O-CA 3.22Å; Y986-I1010 WeakPolarHBondContact O-CA 3.47Å; Y986-E1011 PolarHBondContact N-O 3.28Å; Y986-E1011 PolarHBondContact O-N 3.08Å; Y986-I1047 CarbonylContact C-O 3.59Å; Y986-I1047 VanDerWaalsContact CA-O 3.24Å; Y986-I1047 WeakPolarHBondContact CA-O 3.05Å; Y986-I1047 HydrophobicContact CD1-CB 3.74Å; Y986-I1047 HydrophobicContact CD1-CD1 4.26Å; Y986-I1047 HydrophobicContact CD1-CG1 4.5Å; Y986-I1047 HydrophobicContact CD1-CG2 3.8Å; Y986-I1047 HydrophobicContact CE1-CB 4.09Å; Y986-I1047 HydrophobicContact CE1-CD1 3.68Å; Y986-I1047 HydrophobicContact CE1-CG1 4.38Å; Y986-I1047 HydrophobicContact CE1-CG2 4.13Å; Y986-I1049 HydrophobicContact CD1-CD1 4.09Å
987	L	94.2	Very high	85.3	Confident	2 Å²	2	37 Å²	37	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.4	160.7	178	63.5	0	0	0	108.5	L896 M933 I955 I989 I1010 I1047 I1048 I1049	L896-L987 HydrophobicContact CD1-CD2 3.66Å; L896-L987 HydrophobicContact CD2-CD2 3.61Å; L896-L987 HydrophobicContact CG-CD2 4.31Å; M933-L987 HydrophobicContact CE-CB 3.67Å; M933-L987 HydrophobicContact SD-CB 3.74Å; I955-L987 HydrophobicContact CG2-CD1 3.88Å; L987-I989 HydrophobicContact CD2-CD1 3.96Å; L987-I989 HydrophobicContact CD2-CG1 4.21Å; L987-I989 HydrophobicContact CG-CD1 4.21Å; L987-I989 HydrophobicContact CG-CG1 3.91Å; L987-I1010 HydrophobicContact CD1-CD1 4.45Å; L987-I1010 HydrophobicContact CD1-CG1 3.79Å; L987-I1047 PolarHBondContact N-O 2.87Å; L987-I1048 CarbonylContact O-C 3.57Å; L987-I1048 WeakPolarHBondContact O-CA 3.34Å; L987-I1049 PolarHBondContact O-N 2.82Å
988	K	93.5	Very high	84.1	Confident	64 Å²	64	41 Å²	41	28%	0.278	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.6	171.5	-60.2	179.8	-174.6	169	0	108.6	A1008 S1009 E1011 I1049	K988-A1008 CarbonylContact O-C 3.53Å; K988-A1008 VanDerWaalsContact O-CA 3.24Å; K988-A1008 WeakPolarHBondContact O-CA 3.46Å; K988-S1009 PolarHBondContact N-O 3.02Å; K988-S1009 PolarHBondContact O-N 3.07Å; K988-E1011 WeakPolarHBondContact CE-OE1 3.42Å; K988-E1011 WeakPolarHBondContact CE-OE2 3.45Å; K988-E1011 IonicContact NZ-OE1 3.65Å; K988-E1011 PolarHBondContact NZ-OE1 3.08Å; K988-E1011 IonicContact NZ-OE2 2.74Å; K988-E1011 PolarHBondContact NZ-OE2 2.8Å; K988-I1049 WeakPolarHBondContact CA-O 3.3Å; K988-I1049 HydrophobicContact CG-CB 4.34Å; K988-I1049 HydrophobicContact CG-CD1 4.37Å
989	I	93.5	Very high	82.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.6	177.7	-52.9	-178.4	0	0	0	107.4	I852 I938 L987 I1005 I1048 I1049 S1051	I852-I989 HydrophobicContact CD1-CD1 3.72Å; I938-I989 HydrophobicContact CD1-CD1 4.05Å; I938-I989 HydrophobicContact CD1-CG1 4.4Å; I938-I989 HydrophobicContact CD1-CG2 4.41Å; L987-I989 HydrophobicContact CD2-CD1 3.96Å; L987-I989 HydrophobicContact CD2-CG1 4.21Å; L987-I989 HydrophobicContact CG-CD1 4.21Å; L987-I989 HydrophobicContact CG-CG1 3.91Å; I989-I1005 HydrophobicContact CG2-CD1 3.96Å; I989-I1005 HydrophobicContact CG2-CG1 4.09Å; I989-I1005 HydrophobicContact CG2-CG2 3.93Å; I989-I1048 HydrophobicContact CD1-CG2 4.07Å; I989-I1048 HydrophobicContact CG1-CG2 4.49Å; I989-I1049 PolarHBondContact N-O 3.23Å; I989-S1051 PolarHBondContact O-N 2.84Å
990	I	91.6	Very high	81.5	Confident	47 Å²	47	45.6 Å²	45.6	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.5	174.8	-49.4	178.6	0	0	0	108.4	I1006 Y1007 S1051 I1053	I990-I1006 HydrophobicContact CB-CG1 4.42Å; I990-I1006 HydrophobicContact CG2-CD1 4.11Å; I990-I1006 HydrophobicContact CG2-CG1 4.13Å; I990-I1006 VanDerWaalsContact O-CG1 3.3Å; I990-I1006 WeakPolarHBondContact O-CG1 3.34Å; I990-I1006 PolarHBondContact O-N 2.82Å; I990-Y1007 HydrophobicContact CD1-CD1 3.65Å; I990-Y1007 HydrophobicContact CD1-CE1 4.31Å; I990-Y1007 HydrophobicContact CD1-CG 4.36Å; I990-Y1007 HydrophobicContact CG1-CD1 3.97Å; I990-Y1007 PolarHBondContact N-O 2.86Å; I990-Y1007 PolarHBondContact O-N 2.04Å; I990-Y1007 VanDerWaalsContact O-N 3.15Å; I990-S1051 WeakPolarHBondContact CA-O 3.5Å; I990-I1053 HydrophobicContact CG2-CD1 4.05Å; I990-I1053 HydrophobicContact CG2-CG1 3.67Å
991	S	90	Very high	80.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	164.6	178.9	36.1	0	0	0	0	110.9	Q1004 H1050 S1051 D1052 I1053	S991-Q1004 CarbonylContact C-O 3.5Å; S991-Q1004 WeakPolarHBondContact CA-O 2.22Å; S991-Q1004 WeakPolarHBondContact CB-O 3.4Å; S991-H1050 PolarHBondContact OG-CE1 3Å; S991-H1050 PolarHBondContact OG-NE2 3.41Å; S991-S1051 PolarHBondContact N-O 2.89Å; S991-S1051 VanDerWaalsContact N-O 3.17Å; S991-D1052 CarbonylContact O-C 3.56Å; S991-D1052 WeakPolarHBondContact O-CA 2.22Å; S991-D1052 PolarHBondContact OG-OD1 2.05Å; S991-D1052 VanDerWaalsContact OG-OD1 3.12Å; S991-I1053 PolarHBondContact O-N 3Å
992	A	84.6	Confident	79.8	Confident	12 Å²	12	46 Å²	46	10%	0.099	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.2	175.5	0	0	0	0	0	110.8	Q994 R1003 Q1004 I1006 I1053	A992-Q994 PolarHBondContact O-N 3.32Å; A992-R1003 WeakPolarHBondContact O-CA 2.23Å; A992-Q1004 PolarHBondContact N-O 3.4Å; A992-Q1004 PolarHBondContact O-N 2.83Å; A992-I1006 HydrophobicContact CB-CD1 3.91Å; A992-I1006 HydrophobicContact CB-CG1 4.39Å; A992-I1006 HydrophobicContact CB-CG2 4.1Å; A992-I1053 HydrophobicContact CB-CB 4.36Å
993	I	80.5	Confident	79.4	Confident	55 Å²	55	47.7 Å²	47.7	28%	0.282	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.1	173.1	-59	172.1	0	0	0	108.2	G995 P1001 L1002 R1003	I993-G995 VanDerWaalsContact CG2-O 3.32Å; I993-G995 WeakPolarHBondContact CG2-O 2.23Å; I993-P1001 HydrophobicContact CD1-CB 4.01Å; I993-P1001 HydrophobicContact CG1-CB 4.16Å; I993-P1001 HydrophobicContact CG2-CB 3.74Å; I993-L1002 WeakPolarHBondContact CA-O 3.29Å; I993-R1003 HydrophobicContact CG1-CG 4.2Å
994	Q	73.8	Confident	79.2	Confident	120 Å²	120	49.5 Å²	49.5	56%	0.561	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	-9	-179.8	-65.2	-67.7	-6.5	0	0	113.2	A992 L1002 Q1004	A992-Q994 PolarHBondContact O-N 3.32Å; Q994-L1002 PolarHBondContact N-O 2.92Å; Q994-Q1004 HydrophobicContact CG-CB 4.04Å; Q994-Q1004 HydrophobicContact CG-CG 4.16Å
995	G	71.3	Confident	79.2	Confident	29 Å²	29	49.1 Å²	49.1	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173	-171.5	177.5	0	0	0	0	0	112.3	I993 P1001 L1002	I993-G995 VanDerWaalsContact CG2-O 3.32Å; I993-G995 WeakPolarHBondContact CG2-O 2.23Å; G995-P1001 WeakPolarHBondContact O-CA 3.48Å; G995-L1002 PolarHBondContact O-N 3.4Å
996	K	66.3	Low	79.1	Confident	149 Å²	149	52.2 Å²	52.2	65%	0.648	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.9	171.6	-66.2	-179.8	178.9	179.3	0	109.8	I1000 P1001	K996-I1000 CarbonylContact C-O 3.02Å; K996-I1000 VanDerWaalsContact CA-O 3.23Å; K996-I1000 WeakPolarHBondContact CA-O 3.25Å; K996-P1001 HydrophobicContact CG-CB 4.37Å
997	L	57.2	Low	79.1	Confident	59 Å²	59	53.1 Å²	53.1	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.6	172.6	-177	65.3	0	0	0	108.1	G999 I1000 L1002	L997-G999 PolarHBondContact O-N 3Å; L997-I1000 PolarHBondContact N-O 3.03Å; L997-I1000 WeakPolarHBondContact O-CB 3.48Å; L997-I1000 PolarHBondContact O-N 2.97Å; L997-L1002 HydrophobicContact CB-CD1 4.28Å; L997-L1002 HydrophobicContact CB-CD2 4.09Å; L997-L1002 HydrophobicContact CB-CG 4.22Å
998	Q	58.3	Low	79.1	Confident	150 Å²	150	53 Å²	53	70%	0.701	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	31.3	-175	-63.1	172.4	-92.6	0	0	113.7
999	G	57.5	Low	79.2	Confident	55 Å²	55	50 Å²	50	57%	0.567	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-28.9	-176.4	0	0	0	0	0	114.7	L997	L997-G999 PolarHBondContact O-N 3Å
1000	I	60.8	Low	79.2	Confident	91 Å²	91	50 Å²	50	47%	0.467	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.2	179.4	-54.6	176.7	0	0	0	109.7	K996 L997 L1002	K996-I1000 CarbonylContact C-O 3.02Å; K996-I1000 VanDerWaalsContact CA-O 3.23Å; K996-I1000 WeakPolarHBondContact CA-O 3.25Å; L997-I1000 PolarHBondContact N-O 3.03Å; L997-I1000 WeakPolarHBondContact O-CB 3.48Å; L997-I1000 PolarHBondContact O-N 2.97Å; I1000-L1002 PolarHBondContact O-N 3.04Å
1001	P	67.9	Low	79.3	Confident	28 Å²	28	50.6 Å²	50.6	18%	0.182	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.6	179.8	28.2	-33.2	0	0	0	112.2	I993 G995 K996 R1003	I993-P1001 HydrophobicContact CD1-CB 4.01Å; I993-P1001 HydrophobicContact CG1-CB 4.16Å; I993-P1001 HydrophobicContact CG2-CB 3.74Å; G995-P1001 WeakPolarHBondContact O-CA 3.48Å; K996-P1001 HydrophobicContact CG-CB 4.37Å; P1001-R1003 PolarHBondContact O-N 2.97Å; P1001-R1003 VanDerWaalsContact O-N 3.1Å
1002	L	73.8	Confident	79.5	Confident	36 Å²	36	52.1 Å²	52.1	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	97.3	173.4	-63.6	177.4	0	0	0	108.9	I993 Q994 G995 L997 I1000	I993-L1002 WeakPolarHBondContact CA-O 3.29Å; Q994-L1002 PolarHBondContact N-O 2.92Å; G995-L1002 PolarHBondContact O-N 3.4Å; L997-L1002 HydrophobicContact CB-CD1 4.28Å; L997-L1002 HydrophobicContact CB-CD2 4.09Å; L997-L1002 HydrophobicContact CB-CG 4.22Å; I1000-L1002 PolarHBondContact O-N 3.04Å
1003	R	83.1	Confident	79.8	Confident	36 Å²	36	53.8 Å²	53.8	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.6	175.4	-61.5	179.8	-177.5	87.2	-3.3	109.8	G845 Y846 F898 A992 I993 P1001	G845-R1003 CarbonylContact C-O 3.58Å; G845-R1003 WeakPolarHBondContact CA-O 3.05Å; Y846-R1003 PolarHBondContact N-O 3.02Å; F898-R1003 HydrophobicContact CE1-CB 3.87Å; F898-R1003 HydrophobicContact CE1-CG 4.39Å; F898-R1003 HydrophobicContact CZ-CB 3.68Å; A992-R1003 WeakPolarHBondContact O-CA 2.23Å; I993-R1003 HydrophobicContact CG1-CG 4.2Å; P1001-R1003 PolarHBondContact O-N 2.97Å; P1001-R1003 VanDerWaalsContact O-N 3.1Å
1004	Q	86.6	Confident	80.3	Confident	38 Å²	38	54.1 Å²	54.1	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.4	175	-67.9	-173.2	-4.9	0	0	109.6	Y844 T940 Y941 S991 A992 Q994	Y844-Q1004 PolarHBondContact O-NE2 3.1Å; T940-Q1004 HydrophobicContact CG2-CB 4.04Å; T940-Q1004 HydrophobicContact CG2-CG 4.45Å; T940-Q1004 WeakPolarHBondContact O-CA 3.47Å; Y941-Q1004 HydrophobicContact CD1-CG 4.45Å; S991-Q1004 CarbonylContact C-O 3.5Å; S991-Q1004 WeakPolarHBondContact CA-O 2.22Å; S991-Q1004 WeakPolarHBondContact CB-O 3.4Å; A992-Q1004 PolarHBondContact N-O 3.4Å; A992-Q1004 PolarHBondContact O-N 2.83Å; Q994-Q1004 HydrophobicContact CG-CB 4.04Å; Q994-Q1004 HydrophobicContact CG-CG 4.16Å
1005	I	91.5	Very high	81	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138	171.6	-61	178.3	0	0	0	107.6	Y846 I852 F898 I938 T940 I953 I989	Y846-I1005 HydrophobicContact CD2-CD1 4.2Å; Y846-I1005 HydrophobicContact CD2-CG1 4.1Å; Y846-I1005 HydrophobicContact CE2-CD1 3.81Å; Y846-I1005 HydrophobicContact CE2-CG1 4.09Å; I852-I1005 HydrophobicContact CD1-CD1 3.97Å; I852-I1005 HydrophobicContact CG1-CD1 4.19Å; I852-I1005 HydrophobicContact CG2-CD1 4.22Å; F898-I1005 HydrophobicContact CD2-CD1 4.22Å; F898-I1005 HydrophobicContact CD2-CG1 4.1Å; F898-I1005 HydrophobicContact CE2-CD1 4.38Å; F898-I1005 HydrophobicContact CE2-CG1 3.77Å; I938-I1005 HydrophobicContact CD1-CD1 3.67Å; I938-I1005 HydrophobicContact CD1-CG2 4.38Å; I938-I1005 HydrophobicContact CG1-CD1 3.88Å; I938-I1005 HydrophobicContact CG2-CG2 4.17Å; T940-I1005 PolarHBondContact O-N 3.43Å; I953-I1005 VanDerWaalsContact CD1-C 3.48Å; I953-I1005 HydrophobicContact CD1-CB 4.42Å; I953-I1005 HydrophobicContact CD1-CG2 4.06Å; I953-I1005 WeakPolarHBondContact CD1-O 3.34Å; I989-I1005 HydrophobicContact CG2-CD1 3.96Å; I989-I1005 HydrophobicContact CG2-CG1 4.09Å; I989-I1005 HydrophobicContact CG2-CG2 3.93Å
1006	I	91.9	Very high	81.8	Confident	65 Å²	65	55.3 Å²	55.3	33%	0.333	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	-18.6	-178.6	57.4	161.4	0	0	0	113.5	I990 A992 I1053	I990-I1006 HydrophobicContact CB-CG1 4.42Å; I990-I1006 HydrophobicContact CG2-CD1 4.11Å; I990-I1006 HydrophobicContact CG2-CG1 4.13Å; I990-I1006 VanDerWaalsContact O-CG1 3.3Å; I990-I1006 WeakPolarHBondContact O-CG1 3.34Å; I990-I1006 PolarHBondContact O-N 2.82Å; A992-I1006 HydrophobicContact CB-CD1 3.91Å; A992-I1006 HydrophobicContact CB-CG1 4.39Å; A992-I1006 HydrophobicContact CB-CG2 4.1Å; I1006-I1053 HydrophobicContact CD1-CD1 3.61Å; I1006-I1053 HydrophobicContact CD1-CG1 4.19Å
1007	Y	92.9	Very high	82.9	Confident	78 Å²	78	48.5 Å²	48.5	31%	0.306	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	143	175.4	173.7	-91.6	0	0	0	110.7	I990 S1009	I990-Y1007 HydrophobicContact CD1-CD1 3.65Å; I990-Y1007 HydrophobicContact CD1-CE1 4.31Å; I990-Y1007 HydrophobicContact CD1-CG 4.36Å; I990-Y1007 HydrophobicContact CG1-CD1 3.97Å; I990-Y1007 PolarHBondContact N-O 2.86Å; I990-Y1007 PolarHBondContact O-N 2.04Å; I990-Y1007 VanDerWaalsContact O-N 3.15Å; Y1007-S1009 VanDerWaalsContact CE1-OG 3.3Å; Y1007-S1009 WeakPolarHBondContact CE1-OG 3.46Å; Y1007-S1009 VanDerWaalsContact OH-CB 3.28Å; Y1007-S1009 WeakPolarHBondContact OH-CB 3.43Å; Y1007-S1009 PolarHBondContact OH-OG 3.32Å
1008	A	94.8	Very high	84	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.4	168.1	0	0	0	0	0	111.3	I938 I955 R956 K988	I938-A1008 HydrophobicContact CD1-CB 4.33Å; I938-A1008 HydrophobicContact CG2-CB 3.79Å; I955-A1008 HydrophobicContact CG1-CB 4.19Å; I955-A1008 HydrophobicContact CG2-CB 4.35Å; R956-A1008 PolarHBondContact N-O 2.79Å; K988-A1008 CarbonylContact O-C 3.53Å; K988-A1008 VanDerWaalsContact O-CA 3.24Å; K988-A1008 WeakPolarHBondContact O-CA 3.46Å
1009	S	94.9	Very high	85	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	143.7	176.9	60.1	0	0	0	0	113.4	R956 K988 Y1007	R956-S1009 CarbonylContact O-C 3.58Å; R956-S1009 WeakPolarHBondContact O-CA 3.31Å; R956-S1009 VanDerWaalsContact O-CB 3.23Å; R956-S1009 WeakPolarHBondContact O-CB 3.45Å; K988-S1009 PolarHBondContact N-O 3.02Å; K988-S1009 PolarHBondContact O-N 3.07Å; Y1007-S1009 VanDerWaalsContact CE1-OG 3.3Å; Y1007-S1009 WeakPolarHBondContact CE1-OG 3.46Å; Y1007-S1009 VanDerWaalsContact OH-CB 3.28Å; Y1007-S1009 WeakPolarHBondContact OH-CB 3.43Å; Y1007-S1009 PolarHBondContact OH-OG 3.32Å
1010	I	94.5	Very high	85.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.2	173.4	-70.2	166	0	0	0	109.8	M933 I955 R956 R957 N958 I985 Y986 L987 Y1012	M933-I1010 HydrophobicContact CB-CD1 3.8Å; M933-I1010 HydrophobicContact SD-CD1 4.41Å; M933-I1010 HydrophobicContact SD-CG1 4.27Å; I955-I1010 HydrophobicContact CG2-CB 4.5Å; I955-I1010 HydrophobicContact CG2-CD1 3.69Å; I955-I1010 HydrophobicContact CG2-CG1 3.68Å; R956-I1010 PolarHBondContact O-N 3.4Å; R957-I1010 HydrophobicContact CB-CB 4.29Å; R957-I1010 HydrophobicContact CG-CB 4.1Å; R957-I1010 HydrophobicContact CG-CG2 3.99Å; N958-I1010 PolarHBondContact N-O 2.95Å; I985-I1010 HydrophobicContact CD1-CG2 3.8Å; I985-I1010 HydrophobicContact CG1-CG2 3.76Å; Y986-I1010 VanDerWaalsContact O-CA 3.22Å; Y986-I1010 WeakPolarHBondContact O-CA 3.47Å; L987-I1010 HydrophobicContact CD1-CD1 4.45Å; L987-I1010 HydrophobicContact CD1-CG1 3.79Å; I1010-Y1012 HydrophobicContact CG2-CE2 3.86Å
1011	E	93.1	Very high	85.3	Confident	59 Å²	59	45.2 Å²	45.2	28%	0.276	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	167.5	175.5	-71.9	174.3	-145.2	0	0	110.1	N958 Y986 K988	N958-E1011 HydrophobicContact CB-CG 4.49Å; Y986-E1011 PolarHBondContact N-O 3.28Å; Y986-E1011 PolarHBondContact O-N 3.08Å; K988-E1011 WeakPolarHBondContact CE-OE1 3.42Å; K988-E1011 WeakPolarHBondContact CE-OE2 3.45Å; K988-E1011 IonicContact NZ-OE1 3.65Å; K988-E1011 PolarHBondContact NZ-OE1 3.08Å; K988-E1011 IonicContact NZ-OE2 2.74Å; K988-E1011 PolarHBondContact NZ-OE2 2.8Å
1012	Y	93.3	Very high	84.6	Confident	32 Å²	32	47.7 Å²	47.7	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.5	-176.8	-55.8	-99.6	0	0	0	110.6	N930 R957 N958 T982 T984 I985 I1010	N930-Y1012 PolarHBondContact OD1-OH 2.04Å; R957-Y1012 WeakPolarHBondContact CD-OH 3.35Å; R957-Y1012 HydrophobicContact CG-CE2 4.11Å; R957-Y1012 PolarHBondContact NH1-OH 3.44Å; N958-Y1012 VanDerWaalsContact O-CD2 3.26Å; N958-Y1012 WeakPolarHBondContact O-CD2 3.45Å; N958-Y1012 WeakPolarHBondContact O-CE2 3.24Å; T982-Y1012 HydrophobicContact CG2-CD1 3.72Å; T982-Y1012 HydrophobicContact CG2-CG 4.1Å; T984-Y1012 CarbonylContact O-C 3.56Å; T984-Y1012 VanDerWaalsContact O-CA 3.26Å; T984-Y1012 WeakPolarHBondContact O-CA 3.5Å; I985-Y1012 HydrophobicContact CB-CD1 4.08Å; I985-Y1012 HydrophobicContact CB-CE1 4.26Å; I985-Y1012 HydrophobicContact CD1-CD1 4.23Å; I985-Y1012 HydrophobicContact CD1-CE1 3.55Å; I985-Y1012 HydrophobicContact CG1-CD1 3.82Å; I985-Y1012 HydrophobicContact CG1-CE1 3.66Å; I1010-Y1012 HydrophobicContact CG2-CE2 3.86Å
1013	S	92.1	Very high	83.4	Confident	46 Å²	46	52.5 Å²	52.5	32%	0.322	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	148.6	166.1	-171.5	0	0	0	0	110.7	T982 S983 T984	T982-S1013 WeakPolarHBondContact CA-O 3.46Å; T982-S1013 WeakPolarHBondContact CG2-O 3.18Å; S983-S1013 PolarHBondContact N-O 2.81Å; T984-S1013 PolarHBondContact O-N 3.08Å
1014	Q	90.5	Very high	81.5	Confident	63 Å²	63	55.7 Å²	55.7	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.4	179.6	-59.2	-172.9	-63.2	0	0	110.5	N980 I981 T982	N980-Q1014 HydrophobicContact CB-CB 4.46Å; N980-Q1014 PolarHBondContact O-NE2 2.77Å; I981-Q1014 CarbonylContact O-C 3.58Å; I981-Q1014 VanDerWaalsContact O-CA 3.29Å; I981-Q1014 WeakPolarHBondContact O-CA 3.35Å; T982-Q1014 PolarHBondContact OG1-NE2 2.79Å
1015	E	89.1	Confident	79.3	Confident	79 Å²	79	59.9 Å²	59.9	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.7	179	65.6	-167.4	-139.2	0	0	110.5	N980 I981 S983 W1017	N980-E1015 CarbonylContact C-O 3.53Å; N980-E1015 WeakPolarHBondContact CA-O 3.38Å; N980-E1015 PolarHBondContact N-O 2.88Å; I981-E1015 PolarHBondContact N-O 2.86Å; I981-E1015 PolarHBondContact O-N 2.89Å; S983-E1015 WeakPolarHBondContact CB-OE2 3.38Å; S983-E1015 PolarHBondContact OG-OE2 3.44Å; E1015-W1017 PolarHBondContact OE1-NE1 3.18Å
1016	N	87.7	Confident	76.9	Confident	95 Å²	95	65 Å²	65	51%	0.508	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.8	178.8	-63.8	-34.6	0	0	0	109.3	F977 P979 N980	F977-N1016 HydrophobicContact CE2-CB 3.93Å; F977-N1016 HydrophobicContact CZ-CB 4.01Å; P979-N1016 WeakPolarHBondContact CA-OD1 3.25Å; P979-N1016 WeakPolarHBondContact CB-OD1 3.26Å; N980-N1016 PolarHBondContact N-OD1 2.91Å
1017	W	88.4	Confident	74.5	Confident	6 Å²	6	65.8 Å²	65.8	2%	0.023	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.7	177.7	-76.4	0.5	0	0	0	110.8	V908 L910 F915 L921 I925 C978 I981 E1015 F1042 L1044	V908-W1017 HydrophobicContact CG2-CH2 3.79Å; V908-W1017 HydrophobicContact CG2-CZ3 4.04Å; L910-W1017 HydrophobicContact CD1-CE3 3.91Å; L910-W1017 HydrophobicContact CD1-CZ3 3.58Å; F915-W1017 HydrophobicContact CE1-CB 3.94Å; F915-W1017 HydrophobicContact CZ-CB 4.27Å; L921-W1017 HydrophobicContact CD2-CE3 4.41Å; I925-W1017 HydrophobicContact CD1-CH2 4.05Å; I925-W1017 HydrophobicContact CD1-CZ3 4.09Å; I925-W1017 HydrophobicContact CG1-CH2 4.2Å; I925-W1017 HydrophobicContact CG1-CZ3 4.08Å; C978-W1017 PolarHBondContact N-O 2.99Å; C978-W1017 PolarHBondContact O-N 2.71Å; I981-W1017 HydrophobicContact CB-CD2 3.99Å; I981-W1017 HydrophobicContact CB-CE3 4.23Å; I981-W1017 HydrophobicContact CB-CG 4.18Å; I981-W1017 HydrophobicContact CG1-CB 4.31Å; I981-W1017 HydrophobicContact CG1-CD2 4.26Å; I981-W1017 HydrophobicContact CG1-CE3 4.23Å; I981-W1017 HydrophobicContact CG1-CG 4.29Å; I981-W1017 HydrophobicContact CG2-CD2 3.77Å; I981-W1017 HydrophobicContact CG2-CE3 3.69Å; I981-W1017 HydrophobicContact CG2-CG 4.47Å; I981-W1017 HydrophobicContact CG2-CH2 3.97Å; I981-W1017 HydrophobicContact CG2-CZ2 4.03Å; I981-W1017 HydrophobicContact CG2-CZ3 3.77Å; E1015-W1017 PolarHBondContact OE1-NE1 3.18Å; W1017-F1042 HydrophobicContact CB-CD1 3.98Å; W1017-F1042 HydrophobicContact CB-CE1 3.96Å; W1017-F1042 HydrophobicContact CD2-CB 3.98Å; W1017-F1042 AromaticContact CD2-CD1 3.67Å; W1017-F1042 HydrophobicContact CD2-CD1 3.67Å; W1017-F1042 HydrophobicContact CD2-CE1 4.49Å; W1017-F1042 HydrophobicContact CD2-CG 4.01Å; W1017-F1042 HydrophobicContact CE3-CB 3.96Å; W1017-F1042 HydrophobicContact CE3-CD1 4.03Å; W1017-F1042 AromaticContact CE3-CG 3.97Å; W1017-F1042 HydrophobicContact CE3-CG 3.97Å; W1017-F1042 AromaticContact CG-CD1 3.66Å; W1017-F1042 HydrophobicContact CG-CD1 3.66Å; W1017-F1042 HydrophobicContact CG-CE1 4.16Å; W1017-F1042 HydrophobicContact CG-CG 4.46Å; W1017-F1042 HydrophobicContact CH2-CB 3.73Å; W1017-F1042 HydrophobicContact CZ2-CB 3.74Å; W1017-F1042 HydrophobicContact CZ3-CB 3.86Å; W1017-F1042 HydrophobicContact CZ3-CG 4.3Å; W1017-L1044 HydrophobicContact CH2-CD2 3.71Å; W1017-L1044 HydrophobicContact CZ2-CD2 3.88Å
1018	Q	82.3	Confident	72.3	Confident	95 Å²	95	66.5 Å²	66.5	44%	0.444	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.7	175.2	-170.4	175.6	-13.2	0	0	110	G976 F977 L1020 Q1040 F1042	G976-Q1018 CarbonylContact O-C 3.49Å; G976-Q1018 WeakPolarHBondContact O-CA 3.46Å; F977-Q1018 HydrophobicContact CD2-CB 4.06Å; F977-Q1018 HydrophobicContact CD2-CG 4.27Å; Q1018-L1020 HydrophobicContact CB-CD2 4.34Å; Q1018-L1020 HydrophobicContact CG-CD2 3.88Å; Q1018-L1020 HydrophobicContact CG-CG 4.44Å; Q1018-Q1040 PolarHBondContact O-NE2 3Å; Q1018-F1042 WeakPolarHBondContact O-CE1 3.05Å
1019	F	77.4	Confident	69.8	Low	25 Å²	25	71.6 Å²	71.6	11%	0.11	37%	0.373	C	S	.	.			trans	-73.2	120.3	165.9	-163.5	-80.1	0	0	0	108.7	L910 L912 F915 G976 Q1040	L910-F1019 WeakPolarHBondContact O-CE2 3.46Å; L912-F1019 HydrophobicContact CD1-CE1 4.33Å; L912-F1019 HydrophobicContact CD2-CB 3.94Å; L912-F1019 HydrophobicContact CD2-CD1 3.48Å; L912-F1019 VanDerWaalsContact CD2-CD1 3.48Å; L912-F1019 HydrophobicContact CD2-CD2 4.16Å; L912-F1019 HydrophobicContact CD2-CE1 3.96Å; L912-F1019 HydrophobicContact CD2-CG 3.59Å; L912-F1019 HydrophobicContact CD2-CZ 4.48Å; L912-F1019 HydrophobicContact CG-CD1 3.96Å; L912-F1019 HydrophobicContact CG-CD2 4.36Å; L912-F1019 HydrophobicContact CG-CE1 3.9Å; L912-F1019 HydrophobicContact CG-CE2 4.3Å; L912-F1019 HydrophobicContact CG-CG 4.19Å; L912-F1019 HydrophobicContact CG-CZ 4.08Å; F915-F1019 HydrophobicContact CE2-CB 4.34Å; F915-F1019 HydrophobicContact CE2-CD2 4.25Å; G976-F1019 PolarHBondContact O-N 2.89Å; F1019-Q1040 VanDerWaalsContact CA-OE1 3.29Å; F1019-Q1040 HydrophobicContact CD2-CB 3.9Å; F1019-Q1040 HydrophobicContact CE2-CB 3.65Å; F1019-Q1040 HydrophobicContact CZ-CB 4.26Å
1020	L	67.1	Low	67.5	Low	98 Å²	98	72 Å²	72	51%	0.513	38%	0.376	S	S	.	.			trans	-113.4	92.1	-169.1	-69.6	175.8	0	0	0	110.9	Q1018 D1022	Q1018-L1020 HydrophobicContact CB-CD2 4.34Å; Q1018-L1020 HydrophobicContact CG-CD2 3.88Å; Q1018-L1020 HydrophobicContact CG-CG 4.44Å; L1020-D1022 PolarHBondContact O-N 2.91Å
1021	C	58.6	Low	65	Low	68 Å²	68	81.6 Å²	81.6	46%	0.459	41%	0.412	S	S	.	.			trans	-92.4	78.6	169.3	-137.9	0	0	0	0	111.4	C1030	C1021-C1030 WeakPolarHBondContact CA-SG 3.49Å; C1021-C1030 HydrophobicContact CB-CB 4.29Å; C1021-C1030 WeakPolarHBondContact CB-SG 3.34Å; C1021-C1030 WeakPolarHBondContact SG-CA 3.5Å; C1021-C1030 WeakPolarHBondContact SG-CB 3.48Å; C1021-C1030 CovalentContact SG-SG 2.05Å; C1021-C1030 PolarHBondContact SG-SG 2.68Å
1022	D	53.7	Low	62.7	Low	79 Å²	79	85.6 Å²	85.6	42%	0.422	44%	0.435	S	S	.	.			trans	-89.4	109.3	170.7	-169.2	-23.8	0	0	0	110.5	L1020 S1024 M1025 Y1026	L1020-D1022 PolarHBondContact O-N 2.91Å; D1022-S1024 VanDerWaalsContact CG-OG 3.25Å; D1022-S1024 PolarHBondContact O-N 2.99Å; D1022-S1024 WeakPolarHBondContact OD1-CA 3.37Å; D1022-S1024 VanDerWaalsContact OD1-CB 3.31Å; D1022-S1024 WeakPolarHBondContact OD1-CB 3.48Å; D1022-S1024 PolarHBondContact OD1-N 2.73Å; D1022-S1024 PolarHBondContact OD1-OG 2.98Å; D1022-S1024 PolarHBondContact OD2-OG 2.71Å; D1022-M1025 HydrophobicContact CB-CB 4.28Å; D1022-M1025 PolarHBondContact O-N 2.91Å; D1022-Y1026 PolarHBondContact O-N 2.91Å
1023	Y	47.7	Very low	60.1	Low	138 Å²	138	86.4 Å²	86.4	54%	0.541	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.6	175.2	-87.8	-88.2	0	0	0	114.3	P1027 C1030	Y1023-P1027 WeakPolarHBondContact O-CA 3.11Å; Y1023-P1027 WeakPolarHBondContact O-CB 3.46Å; Y1023-C1030 HydrophobicContact CD1-CB 3.83Å; Y1023-C1030 HydrophobicContact CD2-CB 3.76Å; Y1023-C1030 HydrophobicContact CE1-CB 3.78Å; Y1023-C1030 HydrophobicContact CE2-CB 3.69Å; Y1023-C1030 HydrophobicContact CG-CB 3.85Å; Y1023-C1030 PolarHBondContact OH-O 3.48Å
1024	S	43.2	Very low	57.6	Low	103 Å²	103	90.7 Å²	90.7	72%	0.72	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.6	179.5	73.9	0	0	0	0	113	D1022	D1022-S1024 VanDerWaalsContact CG-OG 3.25Å; D1022-S1024 PolarHBondContact O-N 2.99Å; D1022-S1024 WeakPolarHBondContact OD1-CA 3.37Å; D1022-S1024 VanDerWaalsContact OD1-CB 3.31Å; D1022-S1024 WeakPolarHBondContact OD1-CB 3.48Å; D1022-S1024 PolarHBondContact OD1-N 2.73Å; D1022-S1024 PolarHBondContact OD1-OG 2.98Å; D1022-S1024 PolarHBondContact OD2-OG 2.71Å
1025	M	39.9	Very low	55.2	Low	125 Å²	125	92 Å²	92	62%	0.616	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-31.5	-178.7	-158.4	155.8	104	0	0	112.8	D1022	D1022-M1025 HydrophobicContact CB-CB 4.28Å; D1022-M1025 PolarHBondContact O-N 2.91Å
1026	Y	41.5	Very low	53.1	Low	109 Å²	109	93.9 Å²	93.9	43%	0.427	49%	0.494	S	S	.	.			trans	-132.7	61.4	-179.7	-54.9	-66.4	0	0	0	112.7	D1022 S1028 F1029 C1030	D1022-Y1026 PolarHBondContact O-N 2.91Å; Y1026-S1028 PolarHBondContact O-N 2.87Å; Y1026-S1028 VanDerWaalsContact O-N 3.09Å; Y1026-F1029 PolarHBondContact O-N 2.81Å; Y1026-F1029 VanDerWaalsContact O-N 3.1Å; Y1026-C1030 PolarHBondContact O-N 2.87Å
1027	P	42.6	Very low	51.1	Low	81 Å²	81	92.8 Å²	92.8	53%	0.526	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18	-174.4	24.4	-35	0	0	0	115.1	Y1023	Y1023-P1027 WeakPolarHBondContact O-CA 3.11Å; Y1023-P1027 WeakPolarHBondContact O-CB 3.46Å
1028	S	45.7	Very low	49.7	Very low	92 Å²	92	95.3 Å²	95.3	64%	0.643	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-43.1	172.8	45.5	0	0	0	0	112.6	Y1026	Y1026-S1028 PolarHBondContact O-N 2.87Å; Y1026-S1028 VanDerWaalsContact O-N 3.09Å
1029	F	42.5	Very low	48.9	Very low	108 Å²	108	93.3 Å²	93.3	47%	0.474	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-43.5	-176.3	-84.2	-97	0	0	0	112.7	Y1026 R1031	Y1026-F1029 PolarHBondContact O-N 2.81Å; Y1026-F1029 VanDerWaalsContact O-N 3.1Å; F1029-R1031 PolarHBondContact O-N 3.48Å; F1029-R1031 VanDerWaalsContact O-N 3.14Å
1030	C	47.4	Very low	48.5	Very low	10 Å²	10	94.3 Å²	94.3	7%	0.068	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	6.2	-171.5	-56.3	0	0	0	0	115	C1021 Y1023 Y1026 N1032	C1021-C1030 WeakPolarHBondContact CA-SG 3.49Å; C1021-C1030 HydrophobicContact CB-CB 4.29Å; C1021-C1030 WeakPolarHBondContact CB-SG 3.34Å; C1021-C1030 WeakPolarHBondContact SG-CA 3.5Å; C1021-C1030 WeakPolarHBondContact SG-CB 3.48Å; C1021-C1030 CovalentContact SG-SG 2.05Å; C1021-C1030 PolarHBondContact SG-SG 2.68Å; Y1023-C1030 HydrophobicContact CD1-CB 3.83Å; Y1023-C1030 HydrophobicContact CD2-CB 3.76Å; Y1023-C1030 HydrophobicContact CE1-CB 3.78Å; Y1023-C1030 HydrophobicContact CE2-CB 3.69Å; Y1023-C1030 HydrophobicContact CG-CB 3.85Å; Y1023-C1030 PolarHBondContact OH-O 3.48Å; Y1026-C1030 PolarHBondContact O-N 2.87Å; C1030-N1032 PolarHBondContact O-N 3.06Å
1031	R	41.4	Very low	48.9	Very low	203 Å²	203	94.5 Å²	94.5	77%	0.766	50%	0.496	S	S	*	.	S	Bend	trans	-81.5	84	-162.5	-163.2	-177.8	-167.9	-172.3	5.5	114.1	F1029 S1033	F1029-R1031 PolarHBondContact O-N 3.48Å; F1029-R1031 VanDerWaalsContact O-N 3.14Å; R1031-S1033 VanDerWaalsContact C-N 3.33Å; R1031-S1033 PolarHBondContact O-N 3.39Å
1032	N	44	Very low	49.9	Very low	142 Å²	142	91.9 Å²	91.9	76%	0.759	48%	0.477	S	S	*	.	S	Bend	trans	57.7	36	171.7	-83.9	3.2	0	0	0	114.9	C1030 T1034	C1030-N1032 PolarHBondContact O-N 3.06Å; N1032-T1034 PolarHBondContact O-N 3.26Å
1033	S	39.7	Very low	51.4	Low	50 Å²	50	92.3 Å²	92.3	35%	0.35	47%	0.473	S	S	.	.			trans	-76.5	97.4	-179.7	-158.6	0	0	0	0	112.6	R1031 T1035 D1038	R1031-S1033 VanDerWaalsContact C-N 3.33Å; R1031-S1033 PolarHBondContact O-N 3.39Å; S1033-T1035 PolarHBondContact OG-O 3.26Å; S1033-T1035 PolarHBondContact OG-OG1 2.73Å; S1033-D1038 WeakPolarHBondContact CB-OD2 3.43Å; S1033-D1038 PolarHBondContact OG-OD2 3.39Å
1034	T	40.2	Very low	53.3	Low	135 Å²	135	85.8 Å²	85.8	83%	0.828	45%	0.447	S	S	*	.			trans	-86.2	3.5	158.9	55.9	0	0	0	0	112	N1032	N1032-T1034 PolarHBondContact O-N 3.26Å
1035	T	40	Very low	55.5	Low	90 Å²	90	82.4 Å²	82.4	55%	0.552	42%	0.422	S	S	*	.	S	Bend	trans	-94.2	118.3	176.3	33.3	0	0	0	0	109.3	S1033 N1037	S1033-T1035 PolarHBondContact OG-O 3.26Å; S1033-T1035 PolarHBondContact OG-OG1 2.73Å; T1035-N1037 PolarHBondContact O-N 2.89Å
1036	L	43.9	Very low	57.8	Low	120 Å²	120	76.5 Å²	76.5	63%	0.628	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	31.1	-167.6	-61.1	99.9	0	0	0	115.1	N913	N913-L1036 WeakPolarHBondContact OD1-CD2 3.06Å
1037	N	45.2	Very low	60	Low	71 Å²	71	72.5 Å²	72.5	38%	0.38	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	0.1	-167.4	-63.1	2.1	0	0	0	113.6	V718 T1035	V718-N1037 HydrophobicContact CG1-CB 4.24Å; T1035-N1037 PolarHBondContact O-N 2.89Å
1038	D	60.4	Low	62.2	Low	59 Å²	59	68.7 Å²	68.7	32%	0.316	35%	0.353	S	S	.	.			trans	-79.1	135.6	176	-65.2	-60.5	0	0	0	112.1	G911 S1033	G911-D1038 WeakPolarHBondContact CA-O 3.49Å; S1033-D1038 WeakPolarHBondContact CB-OD2 3.43Å; S1033-D1038 PolarHBondContact OG-OD2 3.39Å
1039	V	66	Low	64.2	Low	53 Å²	53	67.3 Å²	67.3	32%	0.321	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.6	-164.9	-74.2	0	0	0	0	111.5	L909 L910	L909-V1039 HydrophobicContact CD1-CB 3.64Å; L909-V1039 HydrophobicContact CD1-CG2 3.56Å; L909-V1039 HydrophobicContact CD2-CG2 4.07Å; L909-V1039 HydrophobicContact CG-CB 3.8Å; L909-V1039 HydrophobicContact CG-CG1 4.36Å; L909-V1039 HydrophobicContact CG-CG2 3.81Å; L910-V1039 CarbonylContact O-C 3.55Å; L910-V1039 WeakPolarHBondContact O-CA 3.04Å
1040	Q	68.1	Low	66.3	Low	47 Å²	47	63.1 Å²	63.1	22%	0.22	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.4	-179.1	177.1	-178	-29.1	0	0	110.4	L910 Q1018 F1019 F1042	L910-Q1040 PolarHBondContact N-O 3.18Å; L910-Q1040 PolarHBondContact O-N 3.15Å; Q1018-Q1040 PolarHBondContact O-NE2 3Å; F1019-Q1040 VanDerWaalsContact CA-OE1 3.29Å; F1019-Q1040 HydrophobicContact CD2-CB 3.9Å; F1019-Q1040 HydrophobicContact CE2-CB 3.65Å; F1019-Q1040 HydrophobicContact CZ-CB 4.26Å; Q1040-F1042 HydrophobicContact CB-CE2 3.84Å; Q1040-F1042 HydrophobicContact CB-CZ 4.33Å; Q1040-F1042 HydrophobicContact CG-CE2 3.83Å; Q1040-F1042 HydrophobicContact CG-CZ 4.01Å
1041	Y	74.7	Confident	68.1	Low	101 Å²	101	65.3 Å²	65.3	40%	0.396	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.8	172.9	-63.5	-67.2	0	0	0	112.4	L887 R907 V908 L909	L887-Y1041 HydrophobicContact CD2-CE1 4.26Å; R907-Y1041 HydrophobicContact CB-CD1 4.05Å; R907-Y1041 VanDerWaalsContact CD-CD1 3.43Å; R907-Y1041 HydrophobicContact CG-CD1 3.62Å; R907-Y1041 HydrophobicContact CG-CE1 4.01Å; R907-Y1041 HydrophobicContact CG-CG 4.41Å; V908-Y1041 WeakPolarHBondContact O-CA 3.32Å; L909-Y1041 HydrophobicContact CD1-CD1 3.88Å; L909-Y1041 HydrophobicContact CD1-CE1 3.72Å; L909-Y1041 HydrophobicContact CD1-CG 4.49Å
1042	F	81.2	Confident	69.9	Low	13 Å²	13	58.7 Å²	58.7	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.5	167.6	-60.9	-95.7	0	0	0	109.1	R907 V908 L910 F915 W1017 Q1018 Q1040	R907-F1042 CarbonylContact C-O 3.49Å; R907-F1042 VanDerWaalsContact CA-O 3.26Å; R907-F1042 WeakPolarHBondContact CA-O 3.42Å; V908-F1042 HydrophobicContact CG2-CB 3.92Å; V908-F1042 WeakPolarHBondContact CG2-O 3.4Å; V908-F1042 PolarHBondContact N-O 2.95Å; V908-F1042 PolarHBondContact O-N 2.86Å; L910-F1042 HydrophobicContact CB-CD2 3.98Å; L910-F1042 HydrophobicContact CB-CE2 4.05Å; L910-F1042 HydrophobicContact CD1-CD2 3.8Å; L910-F1042 HydrophobicContact CD1-CE2 4.38Å; L910-F1042 HydrophobicContact CD1-CG 4.32Å; L910-F1042 HydrophobicContact CG-CD2 4.13Å; F915-F1042 HydrophobicContact CE1-CZ 4.49Å; F915-F1042 AromaticContact CE2-CE2 3.88Å; F915-F1042 HydrophobicContact CE2-CE2 3.88Å; F915-F1042 AromaticContact CE2-CZ 3.92Å; F915-F1042 HydrophobicContact CE2-CZ 3.92Å; F915-F1042 HydrophobicContact CZ-CD2 4.48Å; F915-F1042 AromaticContact CZ-CE1 3.93Å; F915-F1042 HydrophobicContact CZ-CE1 3.93Å; F915-F1042 AromaticContact CZ-CE2 3.74Å; F915-F1042 HydrophobicContact CZ-CE2 3.74Å; F915-F1042 AromaticContact CZ-CZ 3.44Å; F915-F1042 HydrophobicContact CZ-CZ 3.44Å; F915-F1042 VanDerWaalsContact CZ-CZ 3.44Å; W1017-F1042 HydrophobicContact CB-CD1 3.98Å; W1017-F1042 HydrophobicContact CB-CE1 3.96Å; W1017-F1042 HydrophobicContact CD2-CB 3.98Å; W1017-F1042 AromaticContact CD2-CD1 3.67Å; W1017-F1042 HydrophobicContact CD2-CD1 3.67Å; W1017-F1042 HydrophobicContact CD2-CE1 4.49Å; W1017-F1042 HydrophobicContact CD2-CG 4.01Å; W1017-F1042 HydrophobicContact CE3-CB 3.96Å; W1017-F1042 HydrophobicContact CE3-CD1 4.03Å; W1017-F1042 AromaticContact CE3-CG 3.97Å; W1017-F1042 HydrophobicContact CE3-CG 3.97Å; W1017-F1042 AromaticContact CG-CD1 3.66Å; W1017-F1042 HydrophobicContact CG-CD1 3.66Å; W1017-F1042 HydrophobicContact CG-CE1 4.16Å; W1017-F1042 HydrophobicContact CG-CG 4.46Å; W1017-F1042 HydrophobicContact CH2-CB 3.73Å; W1017-F1042 HydrophobicContact CZ2-CB 3.74Å; W1017-F1042 HydrophobicContact CZ3-CB 3.86Å; W1017-F1042 HydrophobicContact CZ3-CG 4.3Å; Q1018-F1042 WeakPolarHBondContact O-CE1 3.05Å; Q1040-F1042 HydrophobicContact CB-CE2 3.84Å; Q1040-F1042 HydrophobicContact CB-CZ 4.33Å; Q1040-F1042 HydrophobicContact CG-CE2 3.83Å; Q1040-F1042 HydrophobicContact CG-CZ 4.01Å
1043	Y	84.3	Confident	71.4	Confident	89 Å²	89	56.5 Å²	56.5	35%	0.349	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.3	-168.6	-66.8	-98.8	0	0	0	112	C906 R907	C906-Y1043 WeakPolarHBondContact O-CA 3.08Å; R907-Y1043 HydrophobicContact CB-CD1 4.4Å; R907-Y1043 HydrophobicContact CB-CE1 4.42Å
1044	L	88.3	Confident	72.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.2	169.3	-59.1	-173.8	0	0	0	109.6	M880 C888 S905 C906 V908 I925 L929 S983 W1017	M880-L1044 HydrophobicContact CE-CB 3.68Å; C888-L1044 HydrophobicContact CB-CD1 4.45Å; S905-L1044 CarbonylContact C-O 3.58Å; S905-L1044 WeakPolarHBondContact CA-O 3.3Å; S905-L1044 WeakPolarHBondContact CB-O 3.43Å; C906-L1044 PolarHBondContact N-O 2.86Å; C906-L1044 PolarHBondContact O-N 2.76Å; V908-L1044 HydrophobicContact CG1-CD1 3.9Å; V908-L1044 HydrophobicContact CG1-CG 4.25Å; I925-L1044 HydrophobicContact CD1-CD1 4.18Å; I925-L1044 HydrophobicContact CD1-CD2 4.34Å; I925-L1044 HydrophobicContact CG2-CD1 4.09Å; I925-L1044 HydrophobicContact CG2-CD2 3.38Å; I925-L1044 HydrophobicContact CG2-CG 4.4Å; L929-L1044 HydrophobicContact CD2-CB 4.2Å; L929-L1044 HydrophobicContact CD2-CD1 4.49Å; S983-L1044 CarbonylContact O-C 3.58Å; S983-L1044 VanDerWaalsContact O-CA 3.26Å; S983-L1044 WeakPolarHBondContact O-CA 3.39Å; W1017-L1044 HydrophobicContact CH2-CD2 3.71Å; W1017-L1044 HydrophobicContact CZ2-CD2 3.88Å
1045	N	88.3	Confident	72.6	Confident	33 Å²	33	54.6 Å²	54.6	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.1	-176.3	-49.7	-56.2	0	0	0	111.5	T904 S905 S983 T984 I985	T904-N1045 WeakPolarHBondContact O-CA 3.04Å; S905-N1045 WeakPolarHBondContact CB-OD1 3.45Å; S983-N1045 PolarHBondContact O-N 3.27Å; T984-N1045 WeakPolarHBondContact CA-O 3.42Å; T984-N1045 HydrophobicContact CG2-CB 3.84Å; T984-N1045 PolarHBondContact OG1-ND2 3.38Å; I985-N1045 PolarHBondContact N-O 2.8Å
1046	T	88	Confident	72.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128	164.4	46.7	0	0	0	0	109.4	V879 M880 T904 F932 M933 I985	V879-T1046 WeakPolarHBondContact CA-OG1 3.44Å; V879-T1046 WeakPolarHBondContact CB-OG1 3.39Å; M880-T1046 HydrophobicContact CE-CG2 3.68Å; M880-T1046 HydrophobicContact CG-CG2 3.89Å; M880-T1046 PolarHBondContact N-OG1 3.39Å; M880-T1046 HydrophobicContact SD-CG2 3.73Å; M880-T1046 PolarHBondContact SD-OG1 3.01Å; T904-T1046 PolarHBondContact N-O 3.27Å; T904-T1046 PolarHBondContact O-N 3.25Å; T904-T1046 PolarHBondContact OG1-OG1 3.37Å; F932-T1046 HydrophobicContact CB-CG2 3.82Å; F932-T1046 HydrophobicContact CD2-CG2 4.02Å; F932-T1046 HydrophobicContact CG-CG2 3.98Å; M933-T1046 HydrophobicContact CE-CG2 4.36Å; I985-T1046 HydrophobicContact CG2-CG2 3.42Å; I985-T1046 VanDerWaalsContact CG2-CG2 3.42Å
1047	I	87.7	Confident	72.3	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.128	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.3	-175.7	-60.3	-176.7	0	0	0	109.7	M902 I903 T984 I985 Y986 L987 I1049	M902-I1047 CarbonylContact O-C 3.56Å; M902-I1047 WeakPolarHBondContact O-CA 3.47Å; I903-I1047 HydrophobicContact CB-CG1 4.49Å; I903-I1047 HydrophobicContact CG1-CD1 4.37Å; I903-I1047 HydrophobicContact CG1-CG1 4.16Å; I903-I1047 HydrophobicContact CG1-CG2 4.08Å; I903-I1047 HydrophobicContact CG2-CD1 4.39Å; I903-I1047 HydrophobicContact CG2-CG1 4.2Å; T984-I1047 HydrophobicContact CG2-CD1 3.87Å; T984-I1047 HydrophobicContact CG2-CG1 4.2Å; I985-I1047 PolarHBondContact O-N 3.06Å; Y986-I1047 CarbonylContact C-O 3.59Å; Y986-I1047 VanDerWaalsContact CA-O 3.24Å; Y986-I1047 WeakPolarHBondContact CA-O 3.05Å; Y986-I1047 HydrophobicContact CD1-CB 3.74Å; Y986-I1047 HydrophobicContact CD1-CD1 4.26Å; Y986-I1047 HydrophobicContact CD1-CG1 4.5Å; Y986-I1047 HydrophobicContact CD1-CG2 3.8Å; Y986-I1047 HydrophobicContact CE1-CB 4.09Å; Y986-I1047 HydrophobicContact CE1-CD1 3.68Å; Y986-I1047 HydrophobicContact CE1-CG1 4.38Å; Y986-I1047 HydrophobicContact CE1-CG2 4.13Å; L987-I1047 PolarHBondContact N-O 2.87Å; I1047-I1049 HydrophobicContact CG2-CD1 4.45Å; I1047-I1049 HydrophobicContact CG2-CG1 3.9Å
1048	I	89.6	Confident	71.9	Confident	1 Å²	1	60 Å²	60	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.6	166.4	-57.6	162.6	0	0	0	107.3	V879 L896 T901 M902 L987 I989	V879-I1048 HydrophobicContact CG1-CD1 3.6Å; V879-I1048 HydrophobicContact CG1-CG1 3.65Å; V879-I1048 HydrophobicContact CG2-CD1 4.46Å; L896-I1048 HydrophobicContact CD2-CD1 3.37Å; L896-I1048 HydrophobicContact CD2-CG1 3.89Å; T901-I1048 CarbonylContact C-O 3.46Å; T901-I1048 VanDerWaalsContact CA-O 3.23Å; T901-I1048 WeakPolarHBondContact CA-O 3.42Å; T901-I1048 VanDerWaalsContact CG2-O 3.31Å; T901-I1048 WeakPolarHBondContact CG2-O 3.31Å; M902-I1048 HydrophobicContact CB-CB 4.33Å; M902-I1048 HydrophobicContact CB-CD1 4.15Å; M902-I1048 HydrophobicContact CG-CD1 4.35Å; M902-I1048 PolarHBondContact N-O 3.26Å; M902-I1048 PolarHBondContact O-N 3.38Å; M902-I1048 HydrophobicContact SD-CD1 4.08Å; L987-I1048 CarbonylContact O-C 3.57Å; L987-I1048 WeakPolarHBondContact O-CA 3.34Å; I989-I1048 HydrophobicContact CD1-CG2 4.07Å; I989-I1048 HydrophobicContact CG1-CG2 4.49Å
1049	I	87.3	Confident	70.5	Confident	63 Å²	63	64.3 Å²	64.3	32%	0.323	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.4	171.3	-55.4	-180	0	0	0	107.3	Y986 L987 K988 I989 I1047	Y986-I1049 HydrophobicContact CD1-CD1 4.09Å; L987-I1049 PolarHBondContact O-N 2.82Å; K988-I1049 WeakPolarHBondContact CA-O 3.3Å; K988-I1049 HydrophobicContact CG-CB 4.34Å; K988-I1049 HydrophobicContact CG-CD1 4.37Å; I989-I1049 PolarHBondContact N-O 3.23Å; I1047-I1049 HydrophobicContact CG2-CD1 4.45Å; I1047-I1049 HydrophobicContact CG2-CG1 3.9Å
1050	H	87.3	Confident	68.8	Low	21 Å²	21	69.1 Å²	69.1	10%	0.097	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.9	174.3	-171.4	-83	0	0	0	110.1	F898 G899 T901 S991 D1052	F898-H1050 AromaticContact CD2-NE2 3.75Å; F898-H1050 AromaticContact CE1-CE1 3.98Å; F898-H1050 AromaticContact CE1-NE2 3.78Å; F898-H1050 AromaticContact CE2-NE2 3.37Å; F898-H1050 WeakPolarHBondContact CE2-NE2 3.4Å; F898-H1050 AromaticContact CZ-CE1 3.76Å; F898-H1050 AromaticContact CZ-NE2 3.37Å; F898-H1050 WeakPolarHBondContact CZ-NE2 3.33Å; G899-H1050 PolarHBondContact N-CD2 3.48Å; G899-H1050 PolarHBondContact N-NE2 3.3Å; T901-H1050 PolarHBondContact OG1-N 3.43Å; S991-H1050 PolarHBondContact OG-CE1 3Å; S991-H1050 PolarHBondContact OG-NE2 3.41Å; H1050-D1052 IonicContact CE1-OD2 2.72Å; H1050-D1052 IonicContact ND1-OD2 2.67Å
1051	S	85.1	Confident	67.1	Low	55 Å²	55	70.8 Å²	70.8	39%	0.385	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	121.2	174.8	59.5	0	0	0	0	111.7	I989 I990 S991	I989-S1051 PolarHBondContact O-N 2.84Å; I990-S1051 WeakPolarHBondContact CA-O 3.5Å; S991-S1051 PolarHBondContact N-O 2.89Å; S991-S1051 VanDerWaalsContact N-O 3.17Å
1052	D	79.8	Confident	64.9	Low	65 Å²	65	72.2 Å²	72.2	35%	0.348	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.2	168.4	-71.4	-78.7	0	0	0	110.7	S991 H1050 S1054	S991-D1052 CarbonylContact O-C 3.56Å; S991-D1052 WeakPolarHBondContact O-CA 2.22Å; S991-D1052 PolarHBondContact OG-OD1 2.05Å; S991-D1052 VanDerWaalsContact OG-OD1 3.12Å; H1050-D1052 IonicContact CE1-OD2 2.72Å; H1050-D1052 IonicContact ND1-OD2 2.67Å; D1052-S1054 PolarHBondContact O-N 2.04Å
1053	I	75	Confident	62.6	Low	95 Å²	95	78.1 Å²	78.1	49%	0.487	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	94.2	152.4	-56.4	-170.1	0	0	0	106	I990 S991 A992 I1006 A1055	I990-I1053 HydrophobicContact CG2-CD1 4.05Å; I990-I1053 HydrophobicContact CG2-CG1 3.67Å; S991-I1053 PolarHBondContact O-N 3Å; A992-I1053 HydrophobicContact CB-CB 4.36Å; I1006-I1053 HydrophobicContact CD1-CD1 3.61Å; I1006-I1053 HydrophobicContact CD1-CG1 4.19Å; I1053-A1055 PolarHBondContact O-N 3.26Å; I1053-A1055 VanDerWaalsContact O-N 3.15Å
1054	S	55.3	Low	60.4	Low	90 Å²	90	82.3 Å²	82.3	63%	0.629	44%	0.44	S	S	*	.			trans	-54	121.3	163.3	-176.2	0	0	0	0	107.9	D1052 K1056	D1052-S1054 PolarHBondContact O-N 2.04Å; S1054-K1056 VanDerWaalsContact C-N 3.29Å; S1054-K1056 PolarHBondContact O-N 3.45Å
1055	A	48.7	Very low	58.2	Low	56 Å²	56	90.8 Å²	90.8	46%	0.463	48%	0.479	S	S	.	.			trans	-62.2	100.6	165.7	0	0	0	0	0	106.5	I1053 D1057	I1053-A1055 PolarHBondContact O-N 3.26Å; I1053-A1055 VanDerWaalsContact O-N 3.15Å; A1055-D1057 VanDerWaalsContact C-N 3.31Å; A1055-D1057 PolarHBondContact O-N 3Å
1056	K	40.9	Very low	55.9	Low	151 Å²	151	95.3 Å²	95.3	66%	0.657	50%	0.503	S	S	*	.			trans	-57.1	103.2	163.7	-110.8	169.1	153.8	-77.9	0	105.9	S1054 D1058	S1054-K1056 VanDerWaalsContact C-N 3.29Å; S1054-K1056 PolarHBondContact O-N 3.45Å; K1056-D1058 HydrophobicContact CB-CB 4.3Å; K1056-D1058 WeakPolarHBondContact CD-OD2 3.4Å; K1056-D1058 IonicContact NZ-OD1 3.83Å; K1056-D1058 PolarHBondContact NZ-OD1 3.19Å; K1056-D1058 IonicContact NZ-OD2 2.66Å; K1056-D1058 PolarHBondContact NZ-OD2 2.05Å; K1056-D1058 PolarHBondContact O-N 3.46Å
1057	D	38	Very low	53.4	Low	149 Å²	149	102 Å²	102	80%	0.797	54%	0.539	S	S	*	.			trans	-67.1	51.4	153.1	-82.4	-44.2	0	0	0	109	A1055 Q1059	A1055-D1057 VanDerWaalsContact C-N 3.31Å; A1055-D1057 PolarHBondContact O-N 3Å; D1057-Q1059 PolarHBondContact O-N 3.13Å
1058	D	35.3	Very low	51.3	Low	94 Å²	94	104 Å²	104	50%	0.503	56%	0.555	S	S	.	*			trans	-64.7	75.1	150.3	-74.5	-3.7	0	0	0	105.5	K1056 L1060	K1056-D1058 HydrophobicContact CB-CB 4.3Å; K1056-D1058 WeakPolarHBondContact CD-OD2 3.4Å; K1056-D1058 IonicContact NZ-OD1 3.83Å; K1056-D1058 PolarHBondContact NZ-OD1 3.19Å; K1056-D1058 IonicContact NZ-OD2 2.66Å; K1056-D1058 PolarHBondContact NZ-OD2 2.05Å; K1056-D1058 PolarHBondContact O-N 3.46Å; D1058-L1060 VanDerWaalsContact C-N 3.26Å; D1058-L1060 PolarHBondContact O-N 3.27Å
1059	Q	31.9	Very low	48.8	Very low	149 Å²	149	109.5 Å²	109.5	70%	0.696	58%	0.584	S	S	*	*			trans	-51.6	106.1	150.7	-80.6	-167	-11.3	0	0	106.1	D1057 T1061	D1057-Q1059 PolarHBondContact O-N 3.13Å; Q1059-T1061 HydrophobicContact CB-CG2 4.28Å; Q1059-T1061 PolarHBondContact O-N 2.71Å; Q1059-T1061 PolarHBondContact O-OG1 3.43Å
1060	L	30.6	Very low	46.7	Very low	154 Å²	154	114 Å²	114	81%	0.806	61%	0.608	S	S	*	*			trans	-66.3	51.4	159.4	-83	138.2	0	0	0	110.1	D1058 I1062	D1058-L1060 VanDerWaalsContact C-N 3.26Å; D1058-L1060 PolarHBondContact O-N 3.27Å; L1060-I1062 VanDerWaalsContact C-N 3.28Å; L1060-I1062 PolarHBondContact O-N 2.72Å; L1060-I1062 VanDerWaalsContact O-N 3.08Å
1061	T	31.3	Very low	44.4	Very low	83 Å²	83	120.1 Å²	120.1	51%	0.509	64%	0.641	S	S	.	*			trans	-47.8	104.4	132.6	53.5	0	0	0	0	106.9	Q1059 N1063	Q1059-T1061 HydrophobicContact CB-CG2 4.28Å; Q1059-T1061 PolarHBondContact O-N 2.71Å; Q1059-T1061 PolarHBondContact O-OG1 3.43Å; T1061-N1063 PolarHBondContact O-N 2.87Å
1062	I	30.2	Very low	42.3	Very low	130 Å²	130	123.8 Å²	123.8	67%	0.667	66%	0.656	S	S	*	*			trans	-75.3	70.6	175.2	-55	174.8	0	0	0	107	L1060 E1064	L1060-I1062 VanDerWaalsContact C-N 3.28Å; L1060-I1062 PolarHBondContact O-N 2.72Å; L1060-I1062 VanDerWaalsContact O-N 3.08Å; I1062-E1064 HydrophobicContact CG2-CB 4.13Å; I1062-E1064 HydrophobicContact CG2-CG 4.16Å; I1062-E1064 PolarHBondContact O-N 3.41Å
1063	N	31.9	Very low	41.4	Very low	138 Å²	138	123.1 Å²	123.1	74%	0.738	66%	0.657	S	S	*	*			trans	-74.3	85	160.3	-79.8	-18.9	0	0	0	106.1	T1061 Q1065	T1061-N1063 PolarHBondContact O-N 2.87Å; N1063-Q1065 PolarHBondContact O-N 2.87Å
1064	E	38.6	Very low	40	Very low	176 Å²	176	128.2 Å²	128.2	82%	0.822	67%	0.67	S	S	*	*			trans	-68.4	28	-173.8	-144.7	167.6	-150.3	0	0	113.4	I1062	I1062-E1064 HydrophobicContact CG2-CB 4.13Å; I1062-E1064 HydrophobicContact CG2-CG 4.16Å; I1062-E1064 PolarHBondContact O-N 3.41Å
1065	Q	42.2	Very low	39.6	Very low	178 Å²	178	129.3 Å²	129.3	83%	0.832	67%	0.673	S	S	*	*			trans	-147.6	61.5	-171.4	-75.4	-166.3	-67.8	0	0	112.5	N1063	N1063-Q1065 PolarHBondContact O-N 2.87Å
1066	L	38.8	Very low	39.5	Very low	128 Å²	128	130.6 Å²	130.6	67%	0.67	67%	0.672	S	S	*	*			trans	-147.9	38.3	145.8	-143.2	77.6	0	0	0	113.4	C1068	L1066-C1068 PolarHBondContact O-N 3.2Å
1067	D	36.7	Very low	40	Very low	140 Å²	140	126.6 Å²	126.6	75%	0.749	67%	0.667	S	S	*	*			trans	-73.9	75	167.7	-160.8	37.8	0	0	0	109.2	N1069	D1067-N1069 PolarHBondContact O-N 2.79Å; D1067-N1069 PolarHBondContact O-ND2 3.3Å; D1067-N1069 VanDerWaalsContact O-ND2 3.16Å; D1067-N1069 PolarHBondContact OD2-ND2 3.17Å
1068	C	43.1	Very low	40.2	Very low	69 Å²	69	125 Å²	125	47%	0.466	65%	0.653	S	S	.	*			trans	-70.5	66.3	-177.9	-86.7	0	0	0	0	111.8	L1066 L1070	L1066-C1068 PolarHBondContact O-N 3.2Å; C1068-L1070 PolarHBondContact O-N 2.8Å
1069	N	37	Very low	40.5	Very low	116 Å²	116	128.3 Å²	128.3	62%	0.62	66%	0.66	S	S	*	*			trans	-64.4	117.7	167.3	-71.9	-82.8	0	0	0	109.7	D1067	D1067-N1069 PolarHBondContact O-N 2.79Å; D1067-N1069 PolarHBondContact O-ND2 3.3Å; D1067-N1069 VanDerWaalsContact O-ND2 3.16Å; D1067-N1069 PolarHBondContact OD2-ND2 3.17Å
1070	L	42.7	Very low	40.9	Very low	158 Å²	158	125.3 Å²	125.3	83%	0.827	66%	0.66	S	S	*	*	S	Bend	trans	63.6	93.1	167.5	-55.5	170.8	0	0	0	115.3	C1068	C1068-L1070 PolarHBondContact O-N 2.8Å
1071	D	38.5	Very low	41.3	Very low	148 Å²	148	126.8 Å²	126.8	79%	0.791	66%	0.655	S	S	*	*	S	Bend	trans	64.9	125	160.7	-60.6	-27.4	0	0	0	120.1
1072	N	42.4	Very low	41.9	Very low	132 Å²	132	125.9 Å²	125.9	71%	0.706	65%	0.649	S	S	*	*			trans	78.7	86.7	169.2	-54.4	-59.7	0	0	0	118
1073	C	60.5	Low	42.4	Very low	52 Å²	52	121.8 Å²	121.8	35%	0.351	64%	0.64	S	S	.	*			trans	-66	156.5	162.4	-56.5	0	0	0	0	112.4	T1075 N1076	C1073-T1075 PolarHBondContact O-N 3.29Å; C1073-T1075 VanDerWaalsContact O-N 3.11Å; C1073-N1076 WeakPolarHBondContact O-CB 3.42Å; C1073-N1076 PolarHBondContact O-N 2.79Å
1074	W	46	Very low	42.7	Very low	202 Å²	202	119 Å²	119	77%	0.765	62%	0.624	S	S	*	*	H	α-helix	trans	-55.5	-28.4	176.9	-77.1	95.6	0	0	0	114.9	N1076 A1077	W1074-N1076 PolarHBondContact O-N 3.14Å; W1074-A1077 WeakPolarHBondContact O-CB 3.48Å; W1074-A1077 PolarHBondContact O-N 3.05Å
1075	T	47.2	Very low	42.9	Very low	113 Å²	113	115.8 Å²	115.8	69%	0.693	61%	0.612	S	S	*	*	H	α-helix	trans	-63.2	-27.4	173	41.9	0	0	0	0	113.2	C1073	C1073-T1075 PolarHBondContact O-N 3.29Å; C1073-T1075 VanDerWaalsContact O-N 3.11Å
1076	N	46.2	Very low	42.8	Very low	83 Å²	83	114.7 Å²	114.7	44%	0.444	60%	0.604	S	S	.	*	H	α-helix	trans	-82.4	-24.1	175.8	-65.4	-0	0	0	0	112.3	C1073 W1074 F1078 Y1079	C1073-N1076 WeakPolarHBondContact O-CB 3.42Å; C1073-N1076 PolarHBondContact O-N 2.79Å; W1074-N1076 PolarHBondContact O-N 3.14Å; N1076-F1078 PolarHBondContact O-N 3.05Å; N1076-Y1079 VanDerWaalsContact O-CB 3.24Å; N1076-Y1079 WeakPolarHBondContact O-CB 3.37Å; N1076-Y1079 PolarHBondContact O-N 3.46Å
1077	A	50.3	Low	42.7	Very low	66 Å²	66	114.2 Å²	114.2	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-60.6	-30.1	-179.7	0	0	0	0	0	112.7	W1074	W1074-A1077 WeakPolarHBondContact O-CB 3.48Å; W1074-A1077 PolarHBondContact O-N 3.05Å
1078	F	43	Very low	43.2	Very low	116 Å²	116	111.7 Å²	111.7	51%	0.509	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.1	8.7	176.2	-67.5	-77.2	0	0	0	114.2	N1076 A1080 W1081 T1082	N1076-F1078 PolarHBondContact O-N 3.05Å; F1078-A1080 PolarHBondContact O-N 2.9Å; F1078-A1080 VanDerWaalsContact O-N 3.15Å; F1078-W1081 HydrophobicContact CD1-CD2 4.47Å; F1078-W1081 AromaticContact CD1-CE3 3.65Å; F1078-W1081 HydrophobicContact CD1-CE3 3.65Å; F1078-W1081 HydrophobicContact CD1-CZ3 4.02Å; F1078-W1081 HydrophobicContact CE1-CE3 4.06Å; F1078-W1081 AromaticContact CE1-CZ3 3.93Å; F1078-W1081 HydrophobicContact CE1-CZ3 3.93Å; F1078-W1081 PolarHBondContact O-N 2.59Å; F1078-T1082 PolarHBondContact O-N 3.38Å; F1078-T1082 VanDerWaalsContact O-N 3.15Å
1079	Y	42	Very low	43.2	Very low	164 Å²	164	116.4 Å²	116.4	64%	0.643	60%	0.597	S	S	*	*	H	α-helix	trans	-64.5	-21.7	-180	-151	-89	0	0	0	112.8	N1076 T1082 G1083	N1076-Y1079 VanDerWaalsContact O-CB 3.24Å; N1076-Y1079 WeakPolarHBondContact O-CB 3.37Å; N1076-Y1079 PolarHBondContact O-N 3.46Å; Y1079-T1082 VanDerWaalsContact CA-OG1 3.29Å; Y1079-T1082 WeakPolarHBondContact CA-OG1 3.44Å; Y1079-T1082 PolarHBondContact O-N 3.47Å; Y1079-T1082 PolarHBondContact O-OG1 2.85Å; Y1079-T1082 VanDerWaalsContact O-OG1 3.09Å; Y1079-G1083 PolarHBondContact O-N 2.74Å
1080	A	38.9	Very low	43.4	Very low	86 Å²	86	118.9 Å²	118.9	71%	0.711	60%	0.603	S	S	*	*	H	α-helix	trans	-64.4	-35.4	169.5	0	0	0	0	0	113	F1078 G1083	F1078-A1080 PolarHBondContact O-N 2.9Å; F1078-A1080 VanDerWaalsContact O-N 3.15Å; A1080-G1083 PolarHBondContact O-N 3.06Å
1081	W	38.9	Very low	43.8	Very low	185 Å²	185	115.8 Å²	115.8	70%	0.701	59%	0.591	S	S	*	*	H	α-helix	trans	-78	-37.6	173.3	-89.8	-12.3	0	0	0	112.1	F1078 G1083 L1084	F1078-W1081 HydrophobicContact CD1-CD2 4.47Å; F1078-W1081 AromaticContact CD1-CE3 3.65Å; F1078-W1081 HydrophobicContact CD1-CE3 3.65Å; F1078-W1081 HydrophobicContact CD1-CZ3 4.02Å; F1078-W1081 HydrophobicContact CE1-CE3 4.06Å; F1078-W1081 AromaticContact CE1-CZ3 3.93Å; F1078-W1081 HydrophobicContact CE1-CZ3 3.93Å; F1078-W1081 PolarHBondContact O-N 2.59Å; W1081-G1083 PolarHBondContact O-N 3.01Å; W1081-L1084 WeakPolarHBondContact O-CB 3.36Å; W1081-L1084 PolarHBondContact O-N 3.41Å
1082	T	44.9	Very low	44	Very low	63 Å²	63	112.2 Å²	112.2	39%	0.387	59%	0.589	S	S	.	*	H	α-helix	trans	-67.4	-20.4	170.1	61.4	0	0	0	0	112.4	F1078 Y1079 L1084 I1085	F1078-T1082 PolarHBondContact O-N 3.38Å; F1078-T1082 VanDerWaalsContact O-N 3.15Å; Y1079-T1082 VanDerWaalsContact CA-OG1 3.29Å; Y1079-T1082 WeakPolarHBondContact CA-OG1 3.44Å; Y1079-T1082 PolarHBondContact O-N 3.47Å; Y1079-T1082 PolarHBondContact O-OG1 2.85Å; Y1079-T1082 VanDerWaalsContact O-OG1 3.09Å; T1082-L1084 PolarHBondContact O-N 3.04Å; T1082-I1085 HydrophobicContact CG2-CD1 4.31Å; T1082-I1085 WeakPolarHBondContact O-CB 3.45Å; T1082-I1085 WeakPolarHBondContact O-CG1 3.35Å; T1082-I1085 PolarHBondContact O-N 2.95Å
1083	G	40.2	Very low	43.8	Very low	45 Å²	45	113.5 Å²	113.5	46%	0.464	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.3	-29.7	172	0	0	0	0	0	113.7	Y1079 A1080 W1081 I1085 K1086	Y1079-G1083 PolarHBondContact O-N 2.74Å; A1080-G1083 PolarHBondContact O-N 3.06Å; W1081-G1083 PolarHBondContact O-N 3.01Å; G1083-I1085 PolarHBondContact O-N 3.3Å; G1083-K1086 PolarHBondContact O-N 2.93Å
1084	L	39.3	Very low	43.3	Very low	78 Å²	78	116.5 Å²	116.5	41%	0.408	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-24.3	172.9	-74.2	161.8	0	0	0	112.4	W1081 T1082 K1086 L1087 Y1088	W1081-L1084 WeakPolarHBondContact O-CB 3.36Å; W1081-L1084 PolarHBondContact O-N 3.41Å; T1082-L1084 PolarHBondContact O-N 3.04Å; L1084-K1086 PolarHBondContact O-N 3.02Å; L1084-L1087 HydrophobicContact CD2-CD2 4.5Å; L1084-L1087 WeakPolarHBondContact O-CA 3.47Å; L1084-L1087 WeakPolarHBondContact O-CB 3.43Å; L1084-L1087 PolarHBondContact O-N 3.11Å; L1084-Y1088 HydrophobicContact CB-CE2 3.73Å; L1084-Y1088 WeakPolarHBondContact O-CD2 3.39Å; L1084-Y1088 WeakPolarHBondContact O-CE2 3.27Å
1085	I	42.4	Very low	43.3	Very low	109 Å²	109	114.1 Å²	114.1	56%	0.559	59%	0.59	S	S	*	*	H	α-helix	trans	-55.1	-31.2	-177	-63.8	174	0	0	0	112	T1082 G1083 L1087	T1082-I1085 HydrophobicContact CG2-CD1 4.31Å; T1082-I1085 WeakPolarHBondContact O-CB 3.45Å; T1082-I1085 WeakPolarHBondContact O-CG1 3.35Å; T1082-I1085 PolarHBondContact O-N 2.95Å; G1083-I1085 PolarHBondContact O-N 3.3Å; I1085-L1087 VanDerWaalsContact C-N 3.35Å; I1085-L1087 PolarHBondContact O-N 2.94Å
1086	K	38.9	Very low	43.1	Very low	156 Å²	156	115 Å²	115	68%	0.678	59%	0.586	S	S	*	*	H	α-helix	trans	-73.2	-19.1	174.6	-78.9	-174.3	173.3	179.5	0	114.7	G1083 L1084	G1083-K1086 PolarHBondContact O-N 2.93Å; L1084-K1086 PolarHBondContact O-N 3.02Å
1087	L	36.9	Very low	43.1	Very low	117 Å²	117	114 Å²	114	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-81.7	-37.1	178.5	-157.6	73	0	0	0	112.1	L1084 I1085 Q1089 F1090	L1084-L1087 HydrophobicContact CD2-CD2 4.5Å; L1084-L1087 WeakPolarHBondContact O-CA 3.47Å; L1084-L1087 WeakPolarHBondContact O-CB 3.43Å; L1084-L1087 PolarHBondContact O-N 3.11Å; I1085-L1087 VanDerWaalsContact C-N 3.35Å; I1085-L1087 PolarHBondContact O-N 2.94Å; L1087-Q1089 PolarHBondContact O-N 3.27Å; L1087-Q1089 VanDerWaalsContact O-N 3.16Å; L1087-F1090 PolarHBondContact O-N 3.04Å; L1087-F1090 VanDerWaalsContact O-N 3.13Å
1088	Y	48.4	Very low	43.1	Very low	87 Å²	87	117.6 Å²	117.6	34%	0.341	59%	0.587	S	S	.	*	H	α-helix	trans	-62.5	-23.2	-179.3	-53.4	-99.8	0	0	0	113.5	L1084 F1090 T1091 Y1094 T1097	L1084-Y1088 HydrophobicContact CB-CE2 3.73Å; L1084-Y1088 WeakPolarHBondContact O-CD2 3.39Å; L1084-Y1088 WeakPolarHBondContact O-CE2 3.27Å; Y1088-F1090 PolarHBondContact O-N 3.35Å; Y1088-F1090 VanDerWaalsContact O-N 3.08Å; Y1088-T1091 PolarHBondContact O-N 3.3Å; Y1088-Y1094 HydrophobicContact CD1-CD2 4.33Å; Y1088-Y1094 HydrophobicContact CD1-CE2 4.18Å; Y1088-Y1094 HydrophobicContact CE1-CE2 4.17Å; Y1088-T1097 HydrophobicContact CE1-CG2 4.13Å
1089	Q	43.3	Very low	43.5	Very low	168 Å²	168	118 Å²	118	79%	0.785	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-20	174.8	-79.7	-167.1	-40.7	0	0	113.5	L1087	L1087-Q1089 PolarHBondContact O-N 3.27Å; L1087-Q1089 VanDerWaalsContact O-N 3.16Å
1090	F	40.4	Very low	44.3	Very low	169 Å²	169	115 Å²	115	74%	0.741	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-19.8	-177.1	-81.7	-79.1	0	0	0	115.9	L1087 Y1088	L1087-F1090 PolarHBondContact O-N 3.04Å; L1087-F1090 VanDerWaalsContact O-N 3.13Å; Y1088-F1090 PolarHBondContact O-N 3.35Å; Y1088-F1090 VanDerWaalsContact O-N 3.08Å
1091	T	50.2	Low	45.4	Very low	93 Å²	93	113 Å²	113	57%	0.571	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-25.8	-168.2	55.9	0	0	0	0	115.1	Y1088 K1093	Y1088-T1091 PolarHBondContact O-N 3.3Å; T1091-K1093 PolarHBondContact O-N 2.93Å
1092	G	43.6	Very low	46.9	Very low	73 Å²	73	107 Å²	107	75%	0.753	56%	0.556	S	S	*	*			trans	61.3	14.4	164.1	0	0	0	0	0	117.8
1093	K	39.1	Very low	47.9	Very low	159 Å²	159	107.6 Å²	107.6	69%	0.691	56%	0.56	S	S	*	*			trans	-131	108.4	176.5	-68.6	-165.5	174.5	-166.2	0	110.7	T1091 T1097	T1091-K1093 PolarHBondContact O-N 2.93Å; K1093-T1097 PolarHBondContact O-OG1 2.94Å
1094	Y	50	Low	49.5	Very low	114 Å²	114	111 Å²	111	45%	0.447	57%	0.567	S	S	.	*			trans	-84	-43.6	-167.3	-151.2	-103.4	0	0	0	113.2	E562 Y1088 Q1096 T1097 F1098	E562-Y1094 VanDerWaalsContact CD-CE1 3.42Å; E562-Y1094 WeakPolarHBondContact OE1-CE1 3.45Å; E562-Y1094 PolarHBondContact OE1-OH 3.49Å; E562-Y1094 VanDerWaalsContact OE2-CD1 3.31Å; E562-Y1094 WeakPolarHBondContact OE2-CD1 3.44Å; E562-Y1094 WeakPolarHBondContact OE2-CE1 3.38Å; Y1088-Y1094 HydrophobicContact CD1-CD2 4.33Å; Y1088-Y1094 HydrophobicContact CD1-CE2 4.18Å; Y1088-Y1094 HydrophobicContact CE1-CE2 4.17Å; Y1094-Q1096 PolarHBondContact O-N 2.82Å; Y1094-T1097 WeakPolarHBondContact O-CA 3.07Å; Y1094-T1097 WeakPolarHBondContact O-CB 3.06Å; Y1094-T1097 PolarHBondContact O-N 3.12Å; Y1094-F1098 PolarHBondContact O-N 3.01Å; Y1094-F1098 VanDerWaalsContact O-N 3.07Å
1095	E	44.7	Very low	51.1	Low	152 Å²	152	109.3 Å²	109.3	71%	0.71	57%	0.569	S	S	*	*	H	α-helix	trans	-54.3	-53.1	-170.2	-65.9	170.9	146	0	0	112.7	T1097 F1098 E1099	E1095-T1097 PolarHBondContact O-N 3.35Å; E1095-F1098 PolarHBondContact O-N 3.39Å; E1095-F1098 VanDerWaalsContact O-N 3.16Å; E1095-E1099 WeakPolarHBondContact O-CB 3.06Å; E1095-E1099 PolarHBondContact O-N 2.79Å
1096	Q	42.8	Very low	52.7	Low	131 Å²	131	108.4 Å²	108.4	61%	0.612	56%	0.564	S	S	*	*	H	α-helix	trans	-59.8	-29.5	176.9	-73.4	-171.4	-36.5	0	0	113.5	Y1094 I1100	Y1094-Q1096 PolarHBondContact O-N 2.82Å; Q1096-I1100 VanDerWaalsContact O-CB 3.29Å; Q1096-I1100 WeakPolarHBondContact O-CB 3.25Å; Q1096-I1100 WeakPolarHBondContact O-CD1 3.16Å; Q1096-I1100 WeakPolarHBondContact O-CG1 3.11Å; Q1096-I1100 PolarHBondContact O-N 3.28Å
1097	T	47	Very low	54.3	Low	63 Å²	63	103.7 Å²	103.7	39%	0.387	55%	0.55	S	S	.	*	H	α-helix	trans	-75.2	-39.3	179.5	-46.8	0	0	0	0	110.9	Y1088 K1093 Y1094 E1095 G1101	Y1088-T1097 HydrophobicContact CE1-CG2 4.13Å; K1093-T1097 PolarHBondContact O-OG1 2.94Å; Y1094-T1097 WeakPolarHBondContact O-CA 3.07Å; Y1094-T1097 WeakPolarHBondContact O-CB 3.06Å; Y1094-T1097 PolarHBondContact O-N 3.12Å; E1095-T1097 PolarHBondContact O-N 3.35Å; T1097-G1101 PolarHBondContact O-N 3.28Å
1098	F	50.3	Low	56	Low	141 Å²	141	101.5 Å²	101.5	62%	0.618	55%	0.545	S	S	*	.	H	α-helix	trans	-74.6	-38.8	175.2	-166.5	-103.3	0	0	0	112	Y1094 E1095 I1100 G1101 V1102	Y1094-F1098 PolarHBondContact O-N 3.01Å; Y1094-F1098 VanDerWaalsContact O-N 3.07Å; E1095-F1098 PolarHBondContact O-N 3.39Å; E1095-F1098 VanDerWaalsContact O-N 3.16Å; F1098-I1100 PolarHBondContact O-N 3Å; F1098-G1101 PolarHBondContact O-N 2.79Å; F1098-V1102 HydrophobicContact CD1-CG2 3.85Å; F1098-V1102 HydrophobicContact CD2-CG2 4.4Å; F1098-V1102 HydrophobicContact CE1-CG2 3.5Å; F1098-V1102 HydrophobicContact CE2-CG2 4.09Å; F1098-V1102 HydrophobicContact CG-CG2 4.3Å; F1098-V1102 HydrophobicContact CZ-CG2 3.63Å; F1098-V1102 WeakPolarHBondContact O-CB 3.21Å; F1098-V1102 WeakPolarHBondContact O-CG2 3.36Å; F1098-V1102 PolarHBondContact O-N 2.78Å
1099	E	50.8	Low	57.3	Low	124 Å²	124	102.5 Å²	102.5	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-57.9	-46.5	169.8	-78.1	-165	126	0	0	111.4	E1095 T1103	E1095-E1099 WeakPolarHBondContact O-CB 3.06Å; E1095-E1099 PolarHBondContact O-N 2.79Å; E1099-T1103 WeakPolarHBondContact O-CA 3.11Å; E1099-T1103 WeakPolarHBondContact O-CB 3.45Å; E1099-T1103 WeakPolarHBondContact O-CG2 3.1Å; E1099-T1103 PolarHBondContact O-N 2.83Å; E1099-T1103 PolarHBondContact O-OG1 2.87Å
1100	I	59.6	Low	58.9	Low	102 Å²	102	98.7 Å²	98.7	52%	0.523	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-44.2	176.2	-72.1	166.1	0	0	0	110.8	Q1096 F1098 T1103 L1104	Q1096-I1100 VanDerWaalsContact O-CB 3.29Å; Q1096-I1100 WeakPolarHBondContact O-CB 3.25Å; Q1096-I1100 WeakPolarHBondContact O-CD1 3.16Å; Q1096-I1100 WeakPolarHBondContact O-CG1 3.11Å; Q1096-I1100 PolarHBondContact O-N 3.28Å; F1098-I1100 PolarHBondContact O-N 3Å; I1100-T1103 WeakPolarHBondContact CA-OG1 3.01Å; I1100-T1103 PolarHBondContact O-OG1 2.93Å; I1100-L1104 HydrophobicContact CG2-CD1 3.76Å; I1100-L1104 HydrophobicContact CG2-CG 4.38Å; I1100-L1104 VanDerWaalsContact O-CB 3.25Å; I1100-L1104 WeakPolarHBondContact O-CB 3.26Å; I1100-L1104 WeakPolarHBondContact O-CD1 3.21Å; I1100-L1104 WeakPolarHBondContact O-CG 3.3Å; I1100-L1104 PolarHBondContact O-N 3.37Å
1101	G	62.5	Low	60.6	Low	44 Å²	44	95.3 Å²	95.3	45%	0.454	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-47.6	177.4	0	0	0	0	0	113.4	T1097 F1098 G1105	T1097-G1101 PolarHBondContact O-N 3.28Å; F1098-G1101 PolarHBondContact O-N 2.79Å; G1101-G1105 PolarHBondContact O-N 2.79Å
1102	V	68.7	Low	61.7	Low	59 Å²	59	96 Å²	96	36%	0.358	53%	0.527	S	S	.	.	H	α-helix	trans	-73.1	-40	-179.7	172.1	0	0	0	0	111.6	F1098 G1105 I1106	F1098-V1102 HydrophobicContact CD1-CG2 3.85Å; F1098-V1102 HydrophobicContact CD2-CG2 4.4Å; F1098-V1102 HydrophobicContact CE1-CG2 3.5Å; F1098-V1102 HydrophobicContact CE2-CG2 4.09Å; F1098-V1102 HydrophobicContact CG-CG2 4.3Å; F1098-V1102 HydrophobicContact CZ-CG2 3.63Å; F1098-V1102 WeakPolarHBondContact O-CB 3.21Å; F1098-V1102 WeakPolarHBondContact O-CG2 3.36Å; F1098-V1102 PolarHBondContact O-N 2.78Å; V1102-G1105 PolarHBondContact O-N 3.02Å; V1102-I1106 HydrophobicContact CG1-CD1 3.57Å; V1102-I1106 HydrophobicContact CG1-CG1 4.13Å; V1102-I1106 WeakPolarHBondContact O-CB 3.42Å; V1102-I1106 WeakPolarHBondContact O-CG1 3.25Å; V1102-I1106 PolarHBondContact O-N 3.04Å
1103	T	67.5	Low	63.2	Low	76 Å²	76	96.9 Å²	96.9	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-36	175	56.8	0	0	0	0	111.7	E1099 I1100 S1107	E1099-T1103 WeakPolarHBondContact O-CA 3.11Å; E1099-T1103 WeakPolarHBondContact O-CB 3.45Å; E1099-T1103 WeakPolarHBondContact O-CG2 3.1Å; E1099-T1103 PolarHBondContact O-N 2.83Å; E1099-T1103 PolarHBondContact O-OG1 2.87Å; I1100-T1103 WeakPolarHBondContact CA-OG1 3.01Å; I1100-T1103 PolarHBondContact O-OG1 2.93Å; T1103-S1107 WeakPolarHBondContact O-CA 3.28Å; T1103-S1107 WeakPolarHBondContact O-CB 3.18Å; T1103-S1107 PolarHBondContact O-N 2.92Å; T1103-S1107 PolarHBondContact O-OG 3.17Å
1104	L	72.2	Confident	64.6	Low	115 Å²	115	94 Å²	94	60%	0.602	51%	0.505	S	S	*	.	H	α-helix	trans	-64.7	-44.3	170.3	-73.9	170	0	0	0	111.8	I1100 S1107 S1108	I1100-L1104 HydrophobicContact CG2-CD1 3.76Å; I1100-L1104 HydrophobicContact CG2-CG 4.38Å; I1100-L1104 VanDerWaalsContact O-CB 3.25Å; I1100-L1104 WeakPolarHBondContact O-CB 3.26Å; I1100-L1104 WeakPolarHBondContact O-CD1 3.21Å; I1100-L1104 WeakPolarHBondContact O-CG 3.3Å; I1100-L1104 PolarHBondContact O-N 3.37Å; L1104-S1107 PolarHBondContact O-N 3.02Å; L1104-S1108 VanDerWaalsContact O-CB 3.31Å; L1104-S1108 WeakPolarHBondContact O-CB 3.37Å; L1104-S1108 PolarHBondContact O-N 3.23Å
1105	G	74.3	Confident	65.7	Low	44 Å²	44	93.9 Å²	93.9	45%	0.454	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-50.4	176.7	0	0	0	0	0	112.9	G1101 V1102 S1108 L1109	G1101-G1105 PolarHBondContact O-N 2.79Å; V1102-G1105 PolarHBondContact O-N 3.02Å; G1105-S1108 PolarHBondContact O-N 3.44Å; G1105-L1109 WeakPolarHBondContact O-CB 3.34Å; G1105-L1109 PolarHBondContact O-N 3.47Å
1106	I	76.4	Confident	66.9	Low	89 Å²	89	91.3 Å²	91.3	46%	0.456	51%	0.505	S	S	.	.	H	α-helix	trans	-66.5	-39.5	177.1	-67.4	176.1	0	0	0	111.2	V1102 S1108 L1109 I1110	V1102-I1106 HydrophobicContact CG1-CD1 3.57Å; V1102-I1106 HydrophobicContact CG1-CG1 4.13Å; V1102-I1106 WeakPolarHBondContact O-CB 3.42Å; V1102-I1106 WeakPolarHBondContact O-CG1 3.25Å; V1102-I1106 PolarHBondContact O-N 3.04Å; I1106-S1108 PolarHBondContact O-N 2.96Å; I1106-L1109 PolarHBondContact O-N 3.25Å; I1106-I1110 HydrophobicContact CG2-CD1 3.63Å; I1106-I1110 HydrophobicContact CG2-CG1 4.21Å; I1106-I1110 WeakPolarHBondContact O-CB 3.13Å; I1106-I1110 VanDerWaalsContact O-CG1 3.31Å; I1106-I1110 WeakPolarHBondContact O-CG1 3.38Å; I1106-I1110 PolarHBondContact O-N 3.21Å
1107	S	71.4	Confident	68.1	Low	57 Å²	57	88.8 Å²	88.8	40%	0.399	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-43.3	174.2	-61.6	0	0	0	0	111	T1103 L1104 L1109 I1110 I1111	T1103-S1107 WeakPolarHBondContact O-CA 3.28Å; T1103-S1107 WeakPolarHBondContact O-CB 3.18Å; T1103-S1107 PolarHBondContact O-N 2.92Å; T1103-S1107 PolarHBondContact O-OG 3.17Å; L1104-S1107 PolarHBondContact O-N 3.02Å; S1107-L1109 VanDerWaalsContact C-N 3.33Å; S1107-L1109 PolarHBondContact O-N 3.12Å; S1107-I1110 PolarHBondContact O-N 3.27Å; S1107-I1111 VanDerWaalsContact O-CB 3.26Å; S1107-I1111 WeakPolarHBondContact O-CB 3.5Å; S1107-I1111 WeakPolarHBondContact O-CD1 3.47Å; S1107-I1111 WeakPolarHBondContact O-CG1 3.4Å; S1107-I1111 PolarHBondContact O-N 3.27Å
1108	S	73	Confident	68.5	Low	71 Å²	71	94 Å²	94	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.3	-170	0	0	0	0	111.3	L1104 G1105 I1106 I1111 M1112	L1104-S1108 VanDerWaalsContact O-CB 3.31Å; L1104-S1108 WeakPolarHBondContact O-CB 3.37Å; L1104-S1108 PolarHBondContact O-N 3.23Å; G1105-S1108 PolarHBondContact O-N 3.44Å; I1106-S1108 PolarHBondContact O-N 2.96Å; S1108-I1111 PolarHBondContact O-N 3.13Å; S1108-M1112 WeakPolarHBondContact O-CB 3.29Å; S1108-M1112 VanDerWaalsContact O-CG 3.25Å; S1108-M1112 WeakPolarHBondContact O-CG 3.29Å; S1108-M1112 PolarHBondContact O-N 3.29Å
1109	L	75.9	Confident	68.7	Low	109 Å²	109	91.6 Å²	91.6	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-46	176.8	-169.2	72.3	0	0	0	111.9	G1105 I1106 S1107 M1112 I1113	G1105-L1109 WeakPolarHBondContact O-CB 3.34Å; G1105-L1109 PolarHBondContact O-N 3.47Å; I1106-L1109 PolarHBondContact O-N 3.25Å; S1107-L1109 VanDerWaalsContact C-N 3.33Å; S1107-L1109 PolarHBondContact O-N 3.12Å; L1109-M1112 PolarHBondContact O-N 3.24Å; L1109-I1113 HydrophobicContact CG-CD1 4.09Å; L1109-I1113 VanDerWaalsContact O-CG1 3.26Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.45Å; L1109-I1113 PolarHBondContact O-N 3.06Å
1110	I	76.9	Confident	68.6	Low	88 Å²	88	94.4 Å²	94.4	45%	0.451	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-40.9	177.8	-70.4	172.5	0	0	0	111	I1106 S1107 I1113 L1114	I1106-I1110 HydrophobicContact CG2-CD1 3.63Å; I1106-I1110 HydrophobicContact CG2-CG1 4.21Å; I1106-I1110 WeakPolarHBondContact O-CB 3.13Å; I1106-I1110 VanDerWaalsContact O-CG1 3.31Å; I1106-I1110 WeakPolarHBondContact O-CG1 3.38Å; I1106-I1110 PolarHBondContact O-N 3.21Å; S1107-I1110 PolarHBondContact O-N 3.27Å; I1110-I1113 PolarHBondContact O-N 3.13Å; I1110-L1114 HydrophobicContact CG2-CD1 3.81Å; I1110-L1114 HydrophobicContact CG2-CG 4.33Å; I1110-L1114 WeakPolarHBondContact O-CB 3.43Å; I1110-L1114 VanDerWaalsContact O-CG 3.29Å; I1110-L1114 WeakPolarHBondContact O-CG 3.33Å; I1110-L1114 PolarHBondContact O-N 2.97Å
1111	I	75	Confident	67.8	Low	98 Å²	98	102.1 Å²	102.1	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-44.3	174.5	-72.7	165.5	0	0	0	110.2	S1107 S1108 L1114 I1115	S1107-I1111 VanDerWaalsContact O-CB 3.26Å; S1107-I1111 WeakPolarHBondContact O-CB 3.5Å; S1107-I1111 WeakPolarHBondContact O-CD1 3.47Å; S1107-I1111 WeakPolarHBondContact O-CG1 3.4Å; S1107-I1111 PolarHBondContact O-N 3.27Å; S1108-I1111 PolarHBondContact O-N 3.13Å; I1111-L1114 PolarHBondContact O-N 3.15Å; I1111-I1115 HydrophobicContact CG2-CD1 3.68Å; I1111-I1115 HydrophobicContact CG2-CG1 4.45Å; I1111-I1115 WeakPolarHBondContact O-CB 3.28Å; I1111-I1115 VanDerWaalsContact O-CG1 3.24Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.25Å; I1111-I1115 PolarHBondContact O-N 3.33Å
1112	M	73.3	Confident	68	Low	107 Å²	107	105 Å²	105	53%	0.527	56%	0.56	S	S	.	*	H	α-helix	trans	-61.6	-44.3	174.5	-75.3	-67.7	-72.9	0	0	111.9	S1108 L1109 L1114 I1115 V1116	S1108-M1112 WeakPolarHBondContact O-CB 3.29Å; S1108-M1112 VanDerWaalsContact O-CG 3.25Å; S1108-M1112 WeakPolarHBondContact O-CG 3.29Å; S1108-M1112 PolarHBondContact O-N 3.29Å; L1109-M1112 PolarHBondContact O-N 3.24Å; M1112-L1114 PolarHBondContact O-N 2.82Å; M1112-I1115 PolarHBondContact O-N 2.92Å; M1112-V1116 WeakPolarHBondContact O-CB 3.45Å; M1112-V1116 VanDerWaalsContact O-CG2 3.23Å; M1112-V1116 WeakPolarHBondContact O-CG2 3.46Å; M1112-V1116 PolarHBondContact O-N 3.19Å
1113	I	75.3	Confident	68	Low	91 Å²	91	107.4 Å²	107.4	47%	0.467	57%	0.571	S	S	.	*	H	α-helix	trans	-61	-44.6	175.3	-69.7	163.2	0	0	0	111	L1109 I1110 I1115 V1116 T1117	L1109-I1113 HydrophobicContact CG-CD1 4.09Å; L1109-I1113 VanDerWaalsContact O-CG1 3.26Å; L1109-I1113 WeakPolarHBondContact O-CG1 3.45Å; L1109-I1113 PolarHBondContact O-N 3.06Å; I1110-I1113 PolarHBondContact O-N 3.13Å; I1113-I1115 VanDerWaalsContact C-N 3.34Å; I1113-I1115 PolarHBondContact O-N 2.59Å; I1113-V1116 PolarHBondContact O-N 3.45Å; I1113-T1117 HydrophobicContact CG2-CG2 4.27Å; I1113-T1117 WeakPolarHBondContact O-CB 3.5Å; I1113-T1117 WeakPolarHBondContact O-CG2 3.37Å; I1113-T1117 PolarHBondContact O-N 2.93Å; I1113-T1117 PolarHBondContact O-OG1 2.82Å
1114	L	69.9	Low	68	Low	99 Å²	99	109.2 Å²	109.2	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-67.9	-29.3	178.6	-74.9	170	0	0	0	113.6	I1110 I1111 M1112 K1118	I1110-L1114 HydrophobicContact CG2-CD1 3.81Å; I1110-L1114 HydrophobicContact CG2-CG 4.33Å; I1110-L1114 WeakPolarHBondContact O-CB 3.43Å; I1110-L1114 VanDerWaalsContact O-CG 3.29Å; I1110-L1114 WeakPolarHBondContact O-CG 3.33Å; I1110-L1114 PolarHBondContact O-N 2.97Å; I1111-L1114 PolarHBondContact O-N 3.15Å; M1112-L1114 PolarHBondContact O-N 2.82Å; L1114-K1118 WeakPolarHBondContact O-CB 3.27Å
1115	I	72	Confident	67.8	Low	111 Å²	111	108.8 Å²	108.8	57%	0.569	58%	0.575	S	S	*	*	H	α-helix	trans	-74.6	-47.3	172.6	-70.8	166.8	0	0	0	110.2	I1111 M1112 I1113 T1117 K1118	I1111-I1115 HydrophobicContact CG2-CD1 3.68Å; I1111-I1115 HydrophobicContact CG2-CG1 4.45Å; I1111-I1115 WeakPolarHBondContact O-CB 3.28Å; I1111-I1115 VanDerWaalsContact O-CG1 3.24Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.25Å; I1111-I1115 PolarHBondContact O-N 3.33Å; M1112-I1115 PolarHBondContact O-N 2.92Å; I1113-I1115 VanDerWaalsContact C-N 3.34Å; I1113-I1115 PolarHBondContact O-N 2.59Å; I1115-T1117 PolarHBondContact O-N 2.92Å; I1115-K1118 PolarHBondContact O-N 3.32Å
1116	V	71.1	Confident	67.4	Low	98 Å²	98	112.9 Å²	112.9	59%	0.594	58%	0.583	S	S	*	*	H	α-helix	trans	-67.7	-32.9	-177.5	169.2	0	0	0	0	112.6	M1112 I1113 P1119	M1112-V1116 WeakPolarHBondContact O-CB 3.45Å; M1112-V1116 VanDerWaalsContact O-CG2 3.23Å; M1112-V1116 WeakPolarHBondContact O-CG2 3.46Å; M1112-V1116 PolarHBondContact O-N 3.19Å; I1113-V1116 PolarHBondContact O-N 3.45Å; V1116-P1119 VanDerWaalsContact O-CD 3.27Å; V1116-P1119 WeakPolarHBondContact O-CD 3.29Å
1117	T	67.9	Low	66.8	Low	78 Å²	78	114.5 Å²	114.5	48%	0.479	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-11.6	-178.9	52	0	0	0	0	114.7	I1113 I1115	I1113-T1117 HydrophobicContact CG2-CG2 4.27Å; I1113-T1117 WeakPolarHBondContact O-CB 3.5Å; I1113-T1117 WeakPolarHBondContact O-CG2 3.37Å; I1113-T1117 PolarHBondContact O-N 2.93Å; I1113-T1117 PolarHBondContact O-OG1 2.82Å; I1115-T1117 PolarHBondContact O-N 2.92Å
1118	K	54.8	Low	66.4	Low	172 Å²	172	118.6 Å²	118.6	75%	0.748	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	0.6	-174.6	-107.7	-170.8	175	-172.3	0	119.7	L1114 I1115	L1114-K1118 WeakPolarHBondContact O-CB 3.27Å; I1115-K1118 PolarHBondContact O-N 3.32Å
1119	P	54.4	Low	65.9	Low	91 Å²	91	122.2 Å²	122.2	59%	0.591	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	20.1	169.2	39.4	-31.1	0	0	0	114	V1116	V1116-P1119 VanDerWaalsContact O-CD 3.27Å; V1116-P1119 WeakPolarHBondContact O-CD 3.29Å
1120	F	48.1	Very low	65.1	Low	184 Å²	184	123.3 Å²	123.3	81%	0.807	62%	0.617	S	S	*	*			trans	-122.7	20	175.8	-79.7	-72.9	0	0	0	114.7
1121	F	42.3	Very low	64	Low	263 Å²	263	126.5 Å²	126.5	100%	1.154	63%	0.632	S	S	*	*			trans	-136	0	154	-80.5	-76	0	0	0	108.2

Retrieved 1,121 of 1,121 residues in 1388.2 ms (Link to these results)

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