A0A5K4EZK3_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,039 aa.

						>A0A5K4EZK3_SCHMA|A0A5K4EZK3
MDFTVPLTYYAEWWNIHTHRCNHINRPPVNQEMYGYGRSFVADWARIGAVSISHASDEFQIESQMSTKLVGKLQYFHNPVPLLPTHYSYSVSGTNKSSFNYDKQFEEEKGKNKKLVDSSTVRDYGYEQLLNDYILGEQACAAFLCGKLQGLLRANISKFIQINHNINGRNNDDAIVPDAKYNSISHHFIEQLFDMSEKGLNDCGSVDSQNKLIERIQNLIVSGTKSTDSFPGSLLPSLNANATSRTAIVVGNNQPSTKRLRLTTKPSKATKAIAFETGEGVDSSASGKSEQLLPCTIGRLLYPGHSSLSSSISSSSTTLCSSDNLTFESDCSRLLASFDPLVIRLASRIVNPNYLGNGLLCNVSTHNYQSSTNQSDILLWYSLQTNSFCIGKTSNLLKTNIHEPNRFSVLPIPLTKLSSRSFCELDACFSESSENIDIVGRLLPTSGSKTNIVRMQIKVNELNMSNSCIDNVNLIRISSSNYVTSICMSRWIPGEWCMAGNYVDEKRDRKASIRLYNSEDTQLPIWSGHVNLGNYMENITKENSLCLKSIASSPSKQDPVQSDIESYCTRTSRKHLLHQHYPNYHWLRVGFGSYPGELCLTTTRRILIFDTRIAPSSAYQLFNTSERSFLLNSNDHLTYSPPKWIGDVYVLAGGYYSMVLLDKRMPNRTVLHWSHNLAKPLAYLAWTEIDNQYHSTHDISQFLISMTSQYPADMSTFGLNLNSSSGPQYIGPCLSGMPLTSLVSSLRSNDLFQFYNQNPLLKGRLQSSICGITTHYSPDIKNQFHTLLLTPYGDLFDYCAYLTSNGINTDDYDVVESYHVKSQTIITNWLSELSCKPENKQHDKNSEENAKLCKKSELKNHTGTLNLSNIVSEQRQSVTNKLNTESTEAESTGGSNTTNNNDYFTLKRRLNTSESFMNSSTESSKWLLSDLKSIWDYDQGEKLKYDNQNALGFTSAFLDSLTENRMQEEIFHQKLITSNDLNELLDQRLIKLKKLYIANAFAKSVGDCNERWPCVLTPVLPEECVTSLFQSECYTAEEL
					

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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	30.8	Very low	30.2	Very low	205 Å²	205	144.8 Å²	144.8	100%	1.01	74%	0.741	S	S	*	*				0	97.1	0	-86.9	-164.4	-174.5	0	0	105.5	F3	M1-F3 PolarHBondContact O-N 3.33Å
2	D	26	Very low	30.4	Very low	145 Å²	145	143 Å²	143	78%	0.775	73%	0.727	S	S	*	*			trans	-105.5	91.8	-149.8	-56.3	3.4	0	0	0	107.2	T4	D2-T4 PolarHBondContact O-N 3.16Å
3	F	30.6	Very low	31.1	Very low	184 Å²	184	138.4 Å²	138.4	81%	0.807	70%	0.696	S	S	*	*			trans	-72.4	75	178.6	-76.6	-87.7	0	0	0	110	M1 V5	M1-F3 PolarHBondContact O-N 3.33Å; F3-V5 PolarHBondContact O-N 2.99Å
4	T	31.9	Very low	31.8	Very low	129 Å²	129	140.2 Å²	140.2	79%	0.791	69%	0.69	S	S	*	*			trans	-69.7	80.1	168.7	49.3	0	0	0	0	109.7	D2	D2-T4 PolarHBondContact O-N 3.16Å
5	V	27.8	Very low	32.6	Very low	82 Å²	82	133.1 Å²	133.1	50%	0.497	66%	0.656	S	S	.	*			trans	-58.8	133.9	173	-178.2	0	0	0	0	109	F3 L7 Y10	F3-V5 PolarHBondContact O-N 2.99Å; V5-L7 PolarHBondContact O-N 3.15Å; V5-Y10 HydrophobicContact CG1-CE2 3.92Å
6	P	26.8	Very low	33.3	Very low	95 Å²	95	128 Å²	128	62%	0.617	63%	0.632	S	S	*	*			trans	-59.1	119.3	-178.2	-27.2	36	0	0	0	113.2	T8	P6-T8 PolarHBondContact O-N 2.83Å
7	L	29.5	Very low	33.6	Very low	181 Å²	181	126.7 Å²	126.7	95%	0.948	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	14.5	-172.3	-77.1	161.9	0	0	0	115.9	V5	V5-L7 PolarHBondContact O-N 3.15Å
8	T	28.2	Very low	33.9	Very low	104 Å²	104	122.4 Å²	122.4	64%	0.638	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	-6.9	-157.8	48.1	0	0	0	0	117	P6	P6-T8 PolarHBondContact O-N 2.83Å
9	Y	31.9	Very low	34	Very low	217 Å²	217	126.1 Å²	126.1	85%	0.851	62%	0.62	S	S	*	*	S	Bend	trans	-141.5	28.8	-169.8	-83.7	-73.6	0	0	0	116.6
10	Y	32.5	Very low	33.8	Very low	197 Å²	197	130.7 Å²	130.7	77%	0.773	63%	0.63	S	S	*	*			trans	-99.8	132.1	161.6	-70.4	-84.6	0	0	0	109.7	V5	V5-Y10 HydrophobicContact CG1-CE2 3.92Å
11	A	35.9	Very low	33.6	Very low	54 Å²	54	125.7 Å²	125.7	45%	0.446	61%	0.609	S	S	.	*			trans	-77.1	159.4	159.4	0	0	0	0	0	108.9	W13 M665	A11-W13 PolarHBondContact O-N 3.33Å; A11-M665 HydrophobicContact CB-CE 3.46Å; A11-M665 VanDerWaalsContact CB-CE 3.46Å
12	E	33	Very low	33.6	Very low	123 Å²	123	119 Å²	119	58%	0.575	58%	0.578	S	S	*	*	S	Bend	trans	-63.5	-3.9	-178.6	-61.2	153.9	146	0	0	113.7
13	W	39.2	Very low	34.1	Very low	83 Å²	83	119.4 Å²	119.4	31%	0.314	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.7	125.9	-168.1	-44.5	107.7	0	0	0	111.6	A11 S724 S725	A11-W13 PolarHBondContact O-N 3.33Å; W13-S724 WeakPolarHBondContact CH2-O 3.39Å; W13-S724 WeakPolarHBondContact CZ3-O 3.2Å; W13-S725 VanDerWaalsContact CE3-C 3.42Å
14	W	41.3	Very low	34.4	Very low	164 Å²	164	114.8 Å²	114.8	62%	0.621	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.5	120.4	174.6	163.6	34	0	0	0	111.2	I16 A49 V50	W14-I16 PolarHBondContact O-N 3.12Å; W14-A49 CarbonylContact O-C 3.57Å; W14-A49 WeakPolarHBondContact O-CA 3.47Å; W14-V50 HydrophobicContact CD2-CG2 4.42Å; W14-V50 HydrophobicContact CE3-CB 4.49Å; W14-V50 HydrophobicContact CE3-CG2 3.96Å; W14-V50 HydrophobicContact CZ3-CG2 4.4Å; W14-V50 PolarHBondContact N-O 3.27Å; W14-V50 PolarHBondContact O-N 3.34Å
15	N	43.7	Very low	34.6	Very low	33 Å²	33	109.8 Å²	109.8	18%	0.176	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.1	171	-180	-51	0	0	0	110.9	H17 T18 G48 Q64	N15-H17 VanDerWaalsContact C-N 3.3Å; N15-H17 PolarHBondContact O-N 3.15Å; N15-H17 PolarHBondContact OD1-N 3.27Å; N15-T18 WeakPolarHBondContact OD1-CG2 3.32Å; N15-T18 PolarHBondContact OD1-N 2.88Å; N15-T18 PolarHBondContact OD1-OG1 2.84Å; N15-T18 VanDerWaalsContact OD1-OG1 3.11Å; N15-G48 WeakPolarHBondContact CA-O 3.28Å; N15-Q64 PolarHBondContact ND2-OE1 3.08Å
16	I	43.7	Very low	35.1	Very low	52 Å²	52	115 Å²	115	27%	0.267	54%	0.536	S	S	.	.	S	Bend	trans	-62.3	-30.7	-167.9	-64.3	164	0	0	0	113.6	W14 G48 V50 I61	W14-I16 PolarHBondContact O-N 3.12Å; I16-G48 PolarHBondContact N-O 3.11Å; I16-G48 VanDerWaalsContact N-O 3.09Å; I16-V50 HydrophobicContact CD1-CG2 3.9Å; I16-V50 HydrophobicContact CG1-CG2 3.43Å; I16-V50 VanDerWaalsContact CG1-CG2 3.43Å; I16-I61 HydrophobicContact CD1-CB 4.26Å; I16-I61 HydrophobicContact CD1-CD1 3.99Å; I16-I61 HydrophobicContact CD1-CG1 3.89Å; I16-I61 HydrophobicContact CD1-CG2 3.48Å; I16-I61 VanDerWaalsContact CD1-CG2 3.48Å
17	H	39.4	Very low	35.7	Very low	106 Å²	106	111.2 Å²	111.2	49%	0.491	51%	0.512	S	S	.	.	S	Bend	trans	-111	-23.9	-164.7	-69	-76.2	0	0	0	114.9	N15 H19 R20 R46	N15-H17 VanDerWaalsContact C-N 3.3Å; N15-H17 PolarHBondContact O-N 3.15Å; N15-H17 PolarHBondContact OD1-N 3.27Å; H17-H19 PolarHBondContact O-N 2.68Å; H17-R20 PolarHBondContact O-N 2.86Å; H17-R46 PolarHBondContact CD2-O 3.16Å
18	T	38.3	Very low	36.1	Very low	49 Å²	49	105.7 Å²	105.7	30%	0.301	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	40.5	-153.6	61.4	0	0	0	0	117.2	N15 R20 C21	N15-T18 WeakPolarHBondContact OD1-CG2 3.32Å; N15-T18 PolarHBondContact OD1-N 2.88Å; N15-T18 PolarHBondContact OD1-OG1 2.84Å; N15-T18 VanDerWaalsContact OD1-OG1 3.11Å; T18-R20 PolarHBondContact O-N 3.17Å; T18-C21 VanDerWaalsContact CB-SG 3.58Å; T18-C21 HydrophobicContact CG2-CB 4.36Å; T18-C21 VanDerWaalsContact CG2-SG 3.56Å
19	H	36	Very low	36.6	Very low	192 Å²	192	104 Å²	104	89%	0.889	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.8	138.9	-99.1	-84.2	0	0	0	111.6	H17	H17-H19 PolarHBondContact O-N 2.68Å
20	R	29.2	Very low	36.7	Very low	218 Å²	218	99 Å²	99	82%	0.823	46%	0.464	S	S	*	.	S	Bend	trans	-137.9	111	162.9	-60.2	176.3	-179.7	173.5	-1.2	109.4	H17 T18	H17-R20 PolarHBondContact O-N 2.86Å; T18-R20 PolarHBondContact O-N 3.17Å
21	C	29.2	Very low	36.8	Very low	27 Å²	27	96.5 Å²	96.5	18%	0.182	46%	0.459	C	S	.	.			trans	-68.6	141.1	166.8	-81.8	0	0	0	0	110.2	T18 L630	T18-C21 VanDerWaalsContact CB-SG 3.58Å; T18-C21 HydrophobicContact CG2-CB 4.36Å; T18-C21 VanDerWaalsContact CG2-SG 3.56Å; C21-L630 HydrophobicContact CB-CD2 3.62Å; C21-L630 VanDerWaalsContact SG-CD2 3.59Å
22	N	31.8	Very low	36.4	Very low	65 Å²	65	100.8 Å²	100.8	35%	0.348	47%	0.47	S	S	.	.			trans	-79	134	171.5	-156.3	11.4	0	0	0	109.2	I24 D43	N22-I24 PolarHBondContact O-N 3.36Å; N22-D43 PolarHBondContact ND2-OD1 3.24Å; N22-D43 VanDerWaalsContact ND2-OD1 3.14Å; N22-D43 PolarHBondContact ND2-OD2 3.03Å
23	H	37.4	Very low	36.2	Very low	153 Å²	153	103.3 Å²	103.3	71%	0.708	48%	0.484	S	S	*	.	S	Bend	trans	-97	16.5	-160.3	43.9	-83.6	0	0	0	113.2
24	I	36.8	Very low	35.5	Very low	87 Å²	87	110.2 Å²	110.2	45%	0.446	51%	0.512	S	S	.	.			trans	-136.1	60.4	-169.5	-42.4	-178	0	0	0	110	N22 F40	N22-I24 PolarHBondContact O-N 3.36Å; I24-F40 HydrophobicContact CG2-CE2 4.28Å; I24-F40 HydrophobicContact CG2-CZ 4.34Å; I24-F40 WeakPolarHBondContact O-CE1 3.21Å; I24-F40 WeakPolarHBondContact O-CZ 3.43Å
25	N	36	Very low	34.7	Very low	23 Å²	23	104.6 Å²	104.6	12%	0.123	51%	0.505	C	S	.	.			trans	-117	73.9	176.3	-87.6	5.7	0	0	0	111.8	I47 S674	N25-I47 WeakPolarHBondContact ND2-CD1 3.48Å; N25-S674 PolarHBondContact O-N 2.95Å; N25-S674 PolarHBondContact O-OG 3.38Å
26	R	36.8	Very low	33.7	Very low	192 Å²	192	114.5 Å²	114.5	73%	0.725	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-83.1	126.5	160.4	-75.1	-176.8	174.4	-176.8	-3.1	108.4	F40 S674	R26-F40 HydrophobicContact CB-CZ 4.21Å; R26-F40 WeakPolarHBondContact O-CE1 3.3Å; R26-F40 WeakPolarHBondContact O-CZ 3.46Å; R26-S674 WeakPolarHBondContact CA-OG 3.24Å
27	P	40.5	Very low	32.9	Very low	16 Å²	16	114.1 Å²	114.1	10%	0.104	55%	0.55	C	S	.	.	P	Polyproline II helix	trans	-62.2	150.1	165.8	27.9	-33.1	0	0	0	109.8	V29 S674 C733	P27-V29 PolarHBondContact O-N 3.11Å; P27-S674 WeakPolarHBondContact CD-O 3.26Å; P27-C733 HydrophobicContact CB-CB 3.92Å; P27-C733 HydrophobicContact CG-CB 3.74Å
28	P	36.7	Very low	32.2	Very low	65 Å²	65	120.8 Å²	120.8	42%	0.422	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-63.6	121.9	174.1	26.5	-33	0	0	0	109.6	P732	P28-P732 HydrophobicContact CG-CB 4.24Å
29	V	40	Very low	31.6	Very low	69 Å²	69	121.7 Å²	121.7	42%	0.418	58%	0.579	S	S	.	*			trans	-84	-31.2	-170.5	-178.3	0	0	0	0	112.3	P27 N676	P27-V29 PolarHBondContact O-N 3.11Å; V29-N676 HydrophobicContact CG2-CB 4.34Å
30	N	33.9	Very low	31.4	Very low	110 Å²	110	115 Å²	115	59%	0.588	55%	0.548	S	S	*	.	S	Bend	trans	-118.4	155.8	-174.4	-64.7	-5.4	0	0	0	111.5	E32	N30-E32 HydrophobicContact CB-CG 4.35Å; N30-E32 PolarHBondContact O-N 3.11Å; N30-E32 VanDerWaalsContact O-N 3.15Å
31	Q	34.4	Very low	31.4	Very low	145 Å²	145	110 Å²	110	68%	0.678	54%	0.541	S	S	*	.			trans	-73.7	8.5	177	-68.9	-176.3	-24.1	0	0	114.8	M33	Q31-M33 PolarHBondContact O-N 3.29Å
32	E	27.8	Very low	31.3	Very low	145 Å²	145	111.2 Å²	111.2	68%	0.678	55%	0.553	S	S	*	*			trans	-71	110.6	-174.6	-65.7	-170.2	141.7	0	0	112.6	N30 Y34	N30-E32 HydrophobicContact CB-CG 4.35Å; N30-E32 PolarHBondContact O-N 3.11Å; N30-E32 VanDerWaalsContact O-N 3.15Å; E32-Y34 PolarHBondContact O-N 3.27Å
33	M	28.3	Very low	31.4	Very low	176 Å²	176	108.9 Å²	108.9	87%	0.867	54%	0.541	S	S	*	.	S	Bend	trans	-65.3	-17.1	-179.8	-75.1	-169.4	169.1	0	0	114.8	Q31	Q31-M33 PolarHBondContact O-N 3.29Å
34	Y	25.5	Very low	31.2	Very low	228 Å²	228	105.7 Å²	105.7	89%	0.894	52%	0.522	S	S	*	.	S	Bend	trans	-143.5	75.8	-172	-73	-82.5	0	0	0	113.5	E32	E32-Y34 PolarHBondContact O-N 3.27Å
35	G	23.8	Very low	30.9	Very low	46 Å²	46	105.9 Å²	105.9	47%	0.474	54%	0.537	S	S	.	.	S	Bend	trans	-144.9	89.9	176.6	0	0	0	0	0	114	G37	G35-G37 PolarHBondContact O-N 2.8Å
36	Y	23.3	Very low	30.8	Very low	241 Å²	241	111.4 Å²	111.4	95%	0.945	56%	0.556	S	S	*	*	S	Bend	trans	49.3	-2.5	166	-68.6	-77.6	0	0	0	121.5	R38	Y36-R38 PolarHBondContact O-N 3.48Å
37	G	26.4	Very low	31.3	Very low	43 Å²	43	103.7 Å²	103.7	44%	0.443	53%	0.529	S	S	.	.			trans	-70.3	33.2	-177.7	0	0	0	0	0	117.4	G35 S39 F40	G35-G37 PolarHBondContact O-N 2.8Å; G37-S39 PolarHBondContact O-N 3.12Å; G37-F40 PolarHBondContact O-N 3.18Å
38	R	24.2	Very low	31.4	Very low	246 Å²	246	103.3 Å²	103.3	93%	0.928	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.1	-171.7	-80.6	-170.3	174.8	-175.7	-0.1	116	Y36	Y36-R38 PolarHBondContact O-N 3.48Å
39	S	26.6	Very low	31.8	Very low	68 Å²	68	100.2 Å²	100.2	48%	0.476	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-33.4	171.2	50.3	0	0	0	0	113.6	G37 A42	G37-S39 PolarHBondContact O-N 3.12Å; S39-A42 PolarHBondContact O-N 3.2Å
40	F	30.4	Very low	32	Very low	52 Å²	52	97.5 Å²	97.5	23%	0.228	49%	0.491	C	S	.	.	H	α-helix	trans	-72	-39.9	-160.1	-104.6	-85.9	0	0	0	115	I24 R26 G37 A42 D43 W44	I24-F40 HydrophobicContact CG2-CE2 4.28Å; I24-F40 HydrophobicContact CG2-CZ 4.34Å; I24-F40 WeakPolarHBondContact O-CE1 3.21Å; I24-F40 WeakPolarHBondContact O-CZ 3.43Å; R26-F40 HydrophobicContact CB-CZ 4.21Å; R26-F40 WeakPolarHBondContact O-CE1 3.3Å; R26-F40 WeakPolarHBondContact O-CZ 3.46Å; G37-F40 PolarHBondContact O-N 3.18Å; F40-A42 PolarHBondContact O-N 3.01Å; F40-D43 PolarHBondContact O-N 2.92Å; F40-D43 VanDerWaalsContact O-N 3.11Å; F40-W44 PolarHBondContact O-N 2.91Å
41	V	30.2	Very low	32.6	Very low	114 Å²	114	92.8 Å²	92.8	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-62.6	-26.4	179.3	-175.2	0	0	0	0	111.5
42	A	26.3	Very low	33.4	Very low	52 Å²	52	89.3 Å²	89.3	43%	0.43	45%	0.452	S	S	.	.	H	α-helix	trans	-79.7	-23	177.8	0	0	0	0	0	114	S39 F40 R46	S39-A42 PolarHBondContact O-N 3.2Å; F40-A42 PolarHBondContact O-N 3.01Å; A42-R46 WeakPolarHBondContact O-CD 3.17Å
43	D	34.2	Very low	34.4	Very low	16 Å²	16	84.3 Å²	84.3	9%	0.086	43%	0.433	C	S	.	.	H	α-helix	trans	-90.9	-25	178.4	-80.4	-42.1	0	0	0	113	N22 F40 A45 R46	N22-D43 PolarHBondContact ND2-OD1 3.24Å; N22-D43 VanDerWaalsContact ND2-OD1 3.14Å; N22-D43 PolarHBondContact ND2-OD2 3.03Å; F40-D43 PolarHBondContact O-N 2.92Å; F40-D43 VanDerWaalsContact O-N 3.11Å; D43-A45 PolarHBondContact O-N 3.05Å; D43-R46 PolarHBondContact O-N 2.97Å; D43-R46 VanDerWaalsContact OD1-CD 3.25Å; D43-R46 WeakPolarHBondContact OD1-CD 3.24Å; D43-R46 IonicContact OD1-CZ 2.84Å; D43-R46 IonicContact OD1-NE 2.68Å; D43-R46 IonicContact OD1-NH1 3.86Å; D43-R46 PolarHBondContact OD1-NH1 3.46Å
44	W	33.3	Very low	35.5	Very low	85 Å²	85	83.9 Å²	83.9	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-55.3	-35	169	-87	0.8	0	0	0	113.3	F40 R46 T67 V70	F40-W44 PolarHBondContact O-N 2.91Å; W44-R46 VanDerWaalsContact C-N 3.25Å; W44-R46 PolarHBondContact O-N 3.06Å; W44-T67 HydrophobicContact CD2-CG2 4.12Å; W44-T67 HydrophobicContact CE3-CG2 3.57Å; W44-T67 HydrophobicContact CH2-CG2 3.66Å; W44-T67 HydrophobicContact CZ2-CG2 4.18Å; W44-T67 HydrophobicContact CZ3-CG2 3.33Å; W44-V70 HydrophobicContact CH2-CG2 4.16Å
45	A	30.4	Very low	36.9	Very low	92 Å²	92	77.8 Å²	77.8	76%	0.76	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.3	177.7	0	0	0	0	0	114.5	D43	D43-A45 PolarHBondContact O-N 3.05Å
46	R	33.6	Very low	38.5	Very low	139 Å²	139	78.2 Å²	78.2	53%	0.525	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	11	-172	-66.8	173.9	176.1	162	-3.2	114.5	H17 A42 D43 W44	H17-R46 PolarHBondContact CD2-O 3.16Å; A42-R46 WeakPolarHBondContact O-CD 3.17Å; D43-R46 PolarHBondContact O-N 2.97Å; D43-R46 VanDerWaalsContact OD1-CD 3.25Å; D43-R46 WeakPolarHBondContact OD1-CD 3.24Å; D43-R46 IonicContact OD1-CZ 2.84Å; D43-R46 IonicContact OD1-NE 2.68Å; D43-R46 IonicContact OD1-NH1 3.86Å; D43-R46 PolarHBondContact OD1-NH1 3.46Å; W44-R46 VanDerWaalsContact C-N 3.25Å; W44-R46 PolarHBondContact O-N 3.06Å
47	I	47.1	Very low	39.9	Very low	30 Å²	30	74 Å²	74	15%	0.154	42%	0.415	C	S	.	.			trans	-125.8	68.2	-175.4	-49.4	-178.2	0	0	0	109.8	N25 Q64 M65	N25-I47 WeakPolarHBondContact ND2-CD1 3.48Å; I47-Q64 HydrophobicContact CG2-CB 4.35Å; I47-Q64 PolarHBondContact O-N 3.13Å; I47-M65 HydrophobicContact CD1-SD 4.13Å
48	G	42.5	Very low	41.2	Very low	7 Å²	7	77 Å²	77	7%	0.072	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.9	177.7	0	0	0	0	0	113.7	N15 I16 E62	N15-G48 WeakPolarHBondContact CA-O 3.28Å; I16-G48 PolarHBondContact N-O 3.11Å; I16-G48 VanDerWaalsContact N-O 3.09Å; G48-E62 CarbonylContact C-O 3.56Å; G48-E62 VanDerWaalsContact CA-O 3.26Å; G48-E62 WeakPolarHBondContact CA-O 3.26Å
49	A	45.2	Very low	42.6	Very low	1 Å²	1	72.4 Å²	72.4	1%	0.008	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.1	156.1	0	0	0	0	0	109.4	W14 E62 Q64	W14-A49 CarbonylContact O-C 3.57Å; W14-A49 WeakPolarHBondContact O-CA 3.47Å; A49-E62 PolarHBondContact N-O 3.46Å; A49-E62 PolarHBondContact O-N 3.11Å; A49-Q64 HydrophobicContact CB-CG 3.8Å
50	V	45.1	Very low	44	Very low	12 Å²	12	73.6 Å²	73.6	7%	0.073	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.5	165.3	-171.2	0	0	0	0	108.7	W14 I16 I52 F59 Q60	W14-V50 HydrophobicContact CD2-CG2 4.42Å; W14-V50 HydrophobicContact CE3-CB 4.49Å; W14-V50 HydrophobicContact CE3-CG2 3.96Å; W14-V50 HydrophobicContact CZ3-CG2 4.4Å; W14-V50 PolarHBondContact N-O 3.27Å; W14-V50 PolarHBondContact O-N 3.34Å; I16-V50 HydrophobicContact CD1-CG2 3.9Å; I16-V50 HydrophobicContact CG1-CG2 3.43Å; I16-V50 VanDerWaalsContact CG1-CG2 3.43Å; V50-I52 HydrophobicContact CG1-CG1 3.96Å; V50-F59 HydrophobicContact CG1-CD1 3.96Å; V50-Q60 WeakPolarHBondContact CA-O 3.33Å
51	S	46.5	Very low	45.3	Very low	11 Å²	11	77.1 Å²	77.1	8%	0.077	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.5	163.1	-33.4	0	0	0	0	107.7	Q60 E62 S724	S51-Q60 PolarHBondContact N-O 3.16Å; S51-Q60 PolarHBondContact O-N 2.93Å; S51-E62 PolarHBondContact OG-OE1 2.92Å; S51-S724 PolarHBondContact OG-O 3.08Å
52	I	51.4	Low	46.6	Very low	71 Å²	71	73.5 Å²	73.5	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	101.9	172.9	-57.7	-178.3	0	0	0	108.9	V50 H54 F59	V50-I52 HydrophobicContact CG1-CG1 3.96Å; I52-H54 PolarHBondContact O-N 3.06Å; I52-H54 VanDerWaalsContact O-N 3.07Å; I52-F59 HydrophobicContact CD1-CD1 4.49Å; I52-F59 HydrophobicContact CD1-CE1 3.97Å; I52-F59 HydrophobicContact CG1-CD1 4.06Å; I52-F59 HydrophobicContact CG1-CE1 3.98Å; I52-F59 HydrophobicContact CG2-CE1 4.48Å
53	S	48.5	Very low	48.3	Very low	41 Å²	41	73.2 Å²	73.2	29%	0.287	39%	0.393	S	S	.	.			trans	-75.6	96.1	175.6	176.5	0	0	0	0	110.6	A55 S56 D57 E58	S53-A55 PolarHBondContact O-N 3.48Å; S53-S56 VanDerWaalsContact CB-OG 3.26Å; S53-S56 WeakPolarHBondContact CB-OG 3.19Å; S53-S56 PolarHBondContact O-N 3.37Å; S53-S56 VanDerWaalsContact O-N 3.16Å; S53-S56 PolarHBondContact OG-N 3.06Å; S53-S56 PolarHBondContact OG-OG 3.35Å; S53-D57 PolarHBondContact O-N 2.79Å; S53-E58 PolarHBondContact N-O 3.41Å
54	H	50.6	Low	49.7	Very low	166 Å²	166	73 Å²	73	77%	0.769	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-2.8	172.1	-68.7	-54.1	0	0	0	114.6	I52	I52-H54 PolarHBondContact O-N 3.06Å; I52-H54 VanDerWaalsContact O-N 3.07Å
55	A	55.6	Low	51.2	Low	100 Å²	100	70.5 Å²	70.5	83%	0.826	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-11.7	178.8	0	0	0	0	0	114.3	S53	S53-A55 PolarHBondContact O-N 3.48Å
56	S	57.5	Low	52.8	Low	56 Å²	56	66.9 Å²	66.9	39%	0.392	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-2.6	-175.4	57.8	0	0	0	0	116	S53 E58	S53-S56 VanDerWaalsContact CB-OG 3.26Å; S53-S56 WeakPolarHBondContact CB-OG 3.19Å; S53-S56 PolarHBondContact O-N 3.37Å; S53-S56 VanDerWaalsContact O-N 3.16Å; S53-S56 PolarHBondContact OG-N 3.06Å; S53-S56 PolarHBondContact OG-OG 3.35Å; S56-E58 PolarHBondContact O-N 3.37Å; S56-E58 PolarHBondContact OG-OE2 3.07Å
57	D	53.3	Low	54.3	Low	151 Å²	151	63.6 Å²	63.6	81%	0.807	35%	0.348	S	S	*	.			trans	55.9	10.4	-169.1	-71.8	-24.1	0	0	0	114.3	S53	S53-D57 PolarHBondContact O-N 2.79Å
58	E	52.6	Low	55.2	Low	108 Å²	108	66.4 Å²	66.4	51%	0.505	36%	0.359	S	S	.	.			trans	-83	126.1	176.4	-66.2	178.7	151.3	0	0	111.1	S53 S56	S53-E58 PolarHBondContact N-O 3.41Å; S56-E58 PolarHBondContact O-N 3.37Å; S56-E58 PolarHBondContact OG-OE2 3.07Å
59	F	54.5	Low	56.1	Low	148 Å²	148	66.1 Å²	66.1	65%	0.649	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.8	167	-67.8	-93.9	0	0	0	108.8	V50 I52	V50-F59 HydrophobicContact CG1-CD1 3.96Å; I52-F59 HydrophobicContact CD1-CD1 4.49Å; I52-F59 HydrophobicContact CD1-CE1 3.97Å; I52-F59 HydrophobicContact CG1-CD1 4.06Å; I52-F59 HydrophobicContact CG1-CE1 3.98Å; I52-F59 HydrophobicContact CG2-CE1 4.48Å
60	Q	55.9	Low	56.7	Low	94 Å²	94	69.6 Å²	69.6	44%	0.439	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.8	173.7	-57.2	-172.3	6.5	0	0	109.4	V50 S51	V50-Q60 WeakPolarHBondContact CA-O 3.33Å; S51-Q60 PolarHBondContact N-O 3.16Å; S51-Q60 PolarHBondContact O-N 2.93Å
61	I	56.3	Low	57.1	Low	125 Å²	125	71.1 Å²	71.1	64%	0.641	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.1	179.2	-66.2	174.9	0	0	0	107.2	I16	I16-I61 HydrophobicContact CD1-CB 4.26Å; I16-I61 HydrophobicContact CD1-CD1 3.99Å; I16-I61 HydrophobicContact CD1-CG1 3.89Å; I16-I61 HydrophobicContact CD1-CG2 3.48Å; I16-I61 VanDerWaalsContact CD1-CG2 3.48Å
62	E	57.6	Low	57.8	Low	39 Å²	39	72.6 Å²	72.6	18%	0.182	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.7	-174.7	-68.9	-179.7	-122.5	0	0	110.7	G48 A49 S51 Q64 S724 S725	G48-E62 CarbonylContact C-O 3.56Å; G48-E62 VanDerWaalsContact CA-O 3.26Å; G48-E62 WeakPolarHBondContact CA-O 3.26Å; A49-E62 PolarHBondContact N-O 3.46Å; A49-E62 PolarHBondContact O-N 3.11Å; S51-E62 PolarHBondContact OG-OE1 2.92Å; E62-Q64 PolarHBondContact O-N 2.98Å; E62-S724 VanDerWaalsContact OE2-C 3.28Å; E62-S724 VanDerWaalsContact OE2-CB 3.26Å; E62-S724 WeakPolarHBondContact OE2-CB 3.14Å; E62-S724 PolarHBondContact OE2-OG 2.87Å; E62-S725 VanDerWaalsContact CB-CB 3.43Å; E62-S725 PolarHBondContact OE2-N 3.32Å
63	S	61.9	Low	58.5	Low	45 Å²	45	69.5 Å²	69.5	32%	0.315	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.2	-179.2	-175.8	0	0	0	0	111.7	M65 Q728	S63-M65 WeakPolarHBondContact CB-O 3.49Å; S63-M65 PolarHBondContact O-N 2.84Å; S63-M65 PolarHBondContact OG-N 2.74Å; S63-M65 VanDerWaalsContact OG-N 3.12Å; S63-M65 PolarHBondContact OG-O 3.31Å; S63-Q728 PolarHBondContact O-NE2 3.13Å
64	Q	64.3	Low	59.1	Low	13 Å²	13	68.9 Å²	68.9	6%	0.061	38%	0.377	C	S	.	.	S	Bend	trans	-76.5	-8.2	170.2	-63.3	-162.2	-76.7	0	0	112.9	N15 I47 A49 E62 V670 L671 Q728 Y729	N15-Q64 PolarHBondContact ND2-OE1 3.08Å; I47-Q64 HydrophobicContact CG2-CB 4.35Å; I47-Q64 PolarHBondContact O-N 3.13Å; A49-Q64 HydrophobicContact CB-CG 3.8Å; E62-Q64 PolarHBondContact O-N 2.98Å; Q64-V670 PolarHBondContact NE2-O 2.85Å; Q64-L671 HydrophobicContact CB-CD2 3.88Å; Q64-Q728 WeakPolarHBondContact O-CA 3.29Å; Q64-Y729 PolarHBondContact O-N 3.22Å
65	M	64.6	Low	59.6	Low	32 Å²	32	62.5 Å²	62.5	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.2	172.5	-62	-169.5	77.5	0	0	110.2	I47 S63 Y729	I47-M65 HydrophobicContact CD1-SD 4.13Å; S63-M65 WeakPolarHBondContact CB-O 3.49Å; S63-M65 PolarHBondContact O-N 2.84Å; S63-M65 PolarHBondContact OG-N 2.74Å; S63-M65 VanDerWaalsContact OG-N 3.12Å; S63-M65 PolarHBondContact OG-O 3.31Å; M65-Y729 WeakPolarHBondContact CA-O 3.49Å; M65-Y729 HydrophobicContact CE-CD1 3.58Å; M65-Y729 HydrophobicContact CE-CE1 3.88Å; M65-Y729 HydrophobicContact CE-CG 4.38Å
66	S	65.1	Low	59.7	Low	16 Å²	16	58.6 Å²	58.6	11%	0.112	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139	-178.9	173.5	0	0	0	0	111.2	K68 Y729 G731	S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 WeakPolarHBondContact OG-CB 3.42Å; S66-K68 VanDerWaalsContact OG-CG 3.28Å; S66-K68 WeakPolarHBondContact OG-CG 3.34Å; S66-K68 PolarHBondContact OG-N 3.46Å; S66-Y729 PolarHBondContact N-O 3.41Å; S66-G731 PolarHBondContact O-N 2.67Å
67	T	64.4	Low	59.9	Low	69 Å²	69	56.4 Å²	56.4	42%	0.423	29%	0.294	S	S	.	.			trans	-94.4	10.1	178.1	65.2	0	0	0	0	112.3	W44 L69 V70	W44-T67 HydrophobicContact CD2-CG2 4.12Å; W44-T67 HydrophobicContact CE3-CG2 3.57Å; W44-T67 HydrophobicContact CH2-CG2 3.66Å; W44-T67 HydrophobicContact CZ2-CG2 4.18Å; W44-T67 HydrophobicContact CZ3-CG2 3.33Å; T67-L69 PolarHBondContact O-N 3.41Å; T67-L69 VanDerWaalsContact O-N 3.09Å; T67-V70 VanDerWaalsContact O-CB 3.29Å; T67-V70 WeakPolarHBondContact O-CB 3.36Å; T67-V70 VanDerWaalsContact O-CG2 3.28Å; T67-V70 WeakPolarHBondContact O-CG2 3.25Å; T67-V70 PolarHBondContact O-N 3.33Å
68	K	64.9	Low	60.5	Low	89 Å²	89	50.5 Å²	50.5	39%	0.387	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.9	-169.4	-81.4	177.3	165.4	-165.1	0	115.5	S66 K72 D698 I730	S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 WeakPolarHBondContact OG-CB 3.42Å; S66-K68 VanDerWaalsContact OG-CG 3.28Å; S66-K68 WeakPolarHBondContact OG-CG 3.34Å; S66-K68 PolarHBondContact OG-N 3.46Å; K68-K72 WeakPolarHBondContact O-CD 3.49Å; K68-K72 WeakPolarHBondContact O-CE 3.24Å; K68-K72 PolarHBondContact O-NZ 2.85Å; K68-K72 VanDerWaalsContact O-NZ 3.14Å; K68-D698 WeakPolarHBondContact CD-OD1 3.21Å; K68-D698 VanDerWaalsContact CD-OD2 3.31Å; K68-D698 WeakPolarHBondContact CD-OD2 3.11Å; K68-D698 WeakPolarHBondContact CE-OD1 3.3Å; K68-D698 WeakPolarHBondContact CE-OD2 3.35Å; K68-D698 WeakPolarHBondContact CG-OD2 3.1Å; K68-D698 IonicContact NZ-OD1 3.77Å; K68-D698 PolarHBondContact NZ-OD1 2.83Å; K68-D698 IonicContact NZ-OD2 3.38Å; K68-I730 HydrophobicContact CB-CG2 3.98Å
69	L	62.7	Low	61.5	Low	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-2.2	175.8	-64.9	170.9	0	0	0	113.3	T67 G71 K72 L73 I730 G731 P732 L802	T67-L69 PolarHBondContact O-N 3.41Å; T67-L69 VanDerWaalsContact O-N 3.09Å; L69-G71 PolarHBondContact O-N 3.04Å; L69-K72 PolarHBondContact O-N 3.22Å; L69-K72 VanDerWaalsContact O-N 3.07Å; L69-L73 HydrophobicContact CB-CB 4.28Å; L69-L73 PolarHBondContact O-N 2.96Å; L69-L73 VanDerWaalsContact O-N 3.15Å; L69-I730 HydrophobicContact CB-CG2 4.33Å; L69-I730 HydrophobicContact CD1-CB 4.34Å; L69-I730 HydrophobicContact CD1-CG2 3.8Å; L69-I730 HydrophobicContact CG-CG2 3.71Å; L69-G731 WeakPolarHBondContact CB-O 3.22Å; L69-G731 PolarHBondContact N-O 2.87Å; L69-P732 VanDerWaalsContact C-CD 3.41Å; L69-L802 HydrophobicContact CD2-CD1 3.55Å
70	V	57	Low	62.1	Low	74 Å²	74	38.8 Å²	38.8	45%	0.448	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	122.5	177.1	177.7	0	0	0	0	109.9	W44 T67 K72 G731 P732	W44-V70 HydrophobicContact CH2-CG2 4.16Å; T67-V70 VanDerWaalsContact O-CB 3.29Å; T67-V70 WeakPolarHBondContact O-CB 3.36Å; T67-V70 VanDerWaalsContact O-CG2 3.28Å; T67-V70 WeakPolarHBondContact O-CG2 3.25Å; T67-V70 PolarHBondContact O-N 3.33Å; V70-K72 PolarHBondContact O-N 3.06Å; V70-G731 PolarHBondContact N-O 2.7Å; V70-P732 VanDerWaalsContact CA-CD 3.49Å; V70-P732 HydrophobicContact CG2-CG 4.49Å
71	G	53.6	Low	62.7	Low	44 Å²	44	34.5 Å²	34.5	45%	0.454	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-27.9	-173.6	0	0	0	0	0	114.6	L69 Q74 T803	L69-G71 PolarHBondContact O-N 3.04Å; G71-Q74 PolarHBondContact O-NE2 3.38Å; G71-T803 PolarHBondContact O-OG1 3.48Å
72	K	61.2	Low	63	Low	43 Å²	43	30.2 Å²	30.2	19%	0.187	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-51	179.3	-61.7	-164.5	-165.6	161.7	0	112.5	K68 L69 V70 D698 L802 T803	K68-K72 WeakPolarHBondContact O-CD 3.49Å; K68-K72 WeakPolarHBondContact O-CE 3.24Å; K68-K72 PolarHBondContact O-NZ 2.85Å; K68-K72 VanDerWaalsContact O-NZ 3.14Å; L69-K72 PolarHBondContact O-N 3.22Å; L69-K72 VanDerWaalsContact O-N 3.07Å; V70-K72 PolarHBondContact O-N 3.06Å; K72-D698 IonicContact NZ-OD2 2.88Å; K72-D698 PolarHBondContact NZ-OD2 2.93Å; K72-L802 HydrophobicContact CB-CD1 4.12Å; K72-L802 HydrophobicContact CB-CG 4.45Å; K72-T803 WeakPolarHBondContact CA-OG1 3.43Å; K72-T803 PolarHBondContact O-N 3.11Å; K72-T803 PolarHBondContact O-OG1 3.29Å
73	L	66.2	Low	62.7	Low	5 Å²	5	31.4 Å²	31.4	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.2	-173.4	-162.4	74.6	0	0	0	111.2	L69 L734 F784 Y801 L802	L69-L73 HydrophobicContact CB-CB 4.28Å; L69-L73 PolarHBondContact O-N 2.96Å; L69-L73 VanDerWaalsContact O-N 3.15Å; L73-L734 HydrophobicContact CB-CD1 4.39Å; L73-L734 HydrophobicContact CD2-CD1 3.78Å; L73-L734 HydrophobicContact CD2-CG 4.03Å; L73-L734 HydrophobicContact CG-CD1 3.65Å; L73-L734 HydrophobicContact CG-CG 4.21Å; L73-F784 HydrophobicContact CD1-CD2 3.61Å; L73-F784 HydrophobicContact CD1-CE2 3.47Å; L73-F784 VanDerWaalsContact CD1-CE2 3.47Å; L73-Y801 WeakPolarHBondContact CA-O 3.44Å; L73-L802 HydrophobicContact CD1-CD1 4.37Å
74	Q	61.9	Low	62.1	Low	28 Å²	28	30.9 Å²	30.9	13%	0.131	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.9	-176.5	-53.1	-172	29.2	0	0	111.3	G71 A800 Y801	G71-Q74 PolarHBondContact O-NE2 3.38Å; Q74-A800 CarbonylContact O-C 3.56Å; Q74-A800 WeakPolarHBondContact O-CA 3.41Å; Q74-A800 WeakPolarHBondContact O-CB 3.47Å; Q74-Y801 HydrophobicContact CB-CD1 4.28Å; Q74-Y801 HydrophobicContact CB-CE1 3.69Å; Q74-Y801 HydrophobicContact CB-CE2 4.18Å; Q74-Y801 PolarHBondContact N-O 3.31Å; Q74-Y801 VanDerWaalsContact N-O 3.11Å; Q74-Y801 WeakPolarHBondContact O-CD1 3.41Å; Q74-Y801 PolarHBondContact O-N 3.09Å; Q74-Y801 PolarHBondContact OE1-OH 2.96Å
75	Y	60.8	Low	60.9	Low	32 Å²	32	30.5 Å²	30.5	13%	0.125	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	143.6	168.7	-68.5	-61.4	0	0	0	110.5	M714 L734 M737 A800	Y75-M714 HydrophobicContact CE1-SD 4.4Å; Y75-M714 PolarHBondContact OH-SD 3.24Å; Y75-L734 HydrophobicContact CD1-CD1 4.2Å; Y75-L734 HydrophobicContact CD2-CB 4.4Å; Y75-L734 HydrophobicContact CD2-CD1 4.09Å; Y75-L734 HydrophobicContact CD2-CD2 4.24Å; Y75-L734 HydrophobicContact CE1-CD1 4.11Å; Y75-L734 HydrophobicContact CE2-CB 3.65Å; Y75-L734 HydrophobicContact CE2-CD1 4.01Å; Y75-L734 HydrophobicContact CE2-CD2 4.29Å; Y75-L734 HydrophobicContact CE2-CG 4.21Å; Y75-L734 HydrophobicContact CG-CD1 4.17Å; Y75-M737 HydrophobicContact CD2-CG 3.97Å; Y75-M737 HydrophobicContact CD2-SD 3.75Å; Y75-M737 HydrophobicContact CE2-CG 4.22Å; Y75-M737 HydrophobicContact CE2-SD 4.49Å; Y75-M737 HydrophobicContact CG-SD 3.87Å; Y75-A800 HydrophobicContact CD1-CB 3.81Å; Y75-A800 HydrophobicContact CE1-CB 4.04Å
76	F	57.9	Low	59.7	Low	19 Å²	19	32.6 Å²	32.6	8%	0.083	18%	0.18	C	C	.	.			trans	-78.6	-39	174.3	-72.5	-74.3	0	0	0	113.6	Q783 C799 Y801 V815	F76-Q783 HydrophobicContact CE2-CG 4.1Å; F76-Q783 VanDerWaalsContact CE2-NE2 3.34Å; F76-C799 HydrophobicContact CD2-CB 4.23Å; F76-C799 PolarHBondContact N-O 2.83Å; F76-Y801 AromaticContact CD1-CD1 3.57Å; F76-Y801 HydrophobicContact CD1-CD1 3.57Å; F76-Y801 AromaticContact CD1-CE1 3.5Å; F76-Y801 HydrophobicContact CD1-CE1 3.5Å; F76-Y801 VanDerWaalsContact CD1-CE1 3.5Å; F76-Y801 HydrophobicContact CD1-CG 4.39Å; F76-Y801 AromaticContact CD2-CD1 3.58Å; F76-Y801 HydrophobicContact CD2-CD1 3.58Å; F76-Y801 HydrophobicContact CD2-CE1 4.23Å; F76-Y801 HydrophobicContact CD2-CG 4.38Å; F76-Y801 AromaticContact CE1-CD1 3.45Å; F76-Y801 HydrophobicContact CE1-CD1 3.45Å; F76-Y801 VanDerWaalsContact CE1-CD1 3.45Å; F76-Y801 HydrophobicContact CE1-CD2 4.32Å; F76-Y801 AromaticContact CE1-CE1 3.67Å; F76-Y801 HydrophobicContact CE1-CE1 3.67Å; F76-Y801 HydrophobicContact CE1-CE2 4.5Å; F76-Y801 AromaticContact CE1-CG 3.81Å; F76-Y801 HydrophobicContact CE1-CG 3.81Å; F76-Y801 AromaticContact CE2-CD1 3.46Å; F76-Y801 HydrophobicContact CE2-CD1 3.46Å; F76-Y801 VanDerWaalsContact CE2-CD1 3.46Å; F76-Y801 HydrophobicContact CE2-CE1 4.38Å; F76-Y801 AromaticContact CE2-CG 3.8Å; F76-Y801 HydrophobicContact CE2-CG 3.8Å; F76-Y801 AromaticContact CG-CD1 3.63Å; F76-Y801 HydrophobicContact CG-CD1 3.63Å; F76-Y801 AromaticContact CG-CE1 3.8Å; F76-Y801 HydrophobicContact CG-CE1 3.8Å; F76-Y801 VanDerWaalsContact CZ-CB 3.5Å; F76-Y801 AromaticContact CZ-CD1 3.39Å; F76-Y801 HydrophobicContact CZ-CD1 3.39Å; F76-Y801 HydrophobicContact CZ-CD2 4.27Å; F76-Y801 HydrophobicContact CZ-CE1 4.12Å; F76-Y801 AromaticContact CZ-CG 3.48Å; F76-Y801 HydrophobicContact CZ-CG 3.48Å; F76-Y801 VanDerWaalsContact CZ-CG 3.48Å; F76-V815 HydrophobicContact CD1-CB 4.34Å; F76-V815 HydrophobicContact CD1-CG1 4.36Å; F76-V815 HydrophobicContact CD1-CG2 3.87Å; F76-V815 HydrophobicContact CE1-CG2 3.71Å
77	H	61.6	Low	58.2	Low	9 Å²	9	38 Å²	38	4%	0.042	20%	0.199	C	C	.	.	S	Bend	trans	-163.8	167.8	-163.5	53.8	62.8	0	0	0	111.8	V80 Y818 S822	H77-V80 VanDerWaalsContact CE1-CG2 3.44Å; H77-V80 WeakPolarHBondContact CE1-CG2 3.32Å; H77-Y818 AromaticContact CD2-CD1 3.89Å; H77-Y818 AromaticContact NE2-CD1 3.64Å; H77-Y818 AromaticContact NE2-CE1 3.9Å; H77-S822 WeakPolarHBondContact CB-OG 3.21Å
78	N	65.2	Low	56.5	Low	27 Å²	27	38.5 Å²	38.5	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	-59.7	153	169	-54.8	-81.5	0	0	0	111	V80 M737 L742 S745 I826	N78-V80 PolarHBondContact O-N 3.48Å; N78-M737 HydrophobicContact CB-CE 4.26Å; N78-M737 VanDerWaalsContact OD1-CE 3.28Å; N78-M737 WeakPolarHBondContact OD1-CE 3.45Å; N78-L742 HydrophobicContact CB-CD2 3.73Å; N78-S745 WeakPolarHBondContact ND2-CB 3.49Å; N78-I826 HydrophobicContact CB-CD1 4.3Å
79	P	73	Confident	54.7	Low	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-57.9	123.6	-172	18.4	-32.3	0	0	0	114.3	P81 L739 L742 F796 D797 Y798	P79-P81 WeakPolarHBondContact O-CD 3.36Å; P79-L739 HydrophobicContact CB-CD2 4.26Å; P79-L739 HydrophobicContact CG-CD2 3.9Å; P79-L742 HydrophobicContact CG-CD1 4.29Å; P79-L742 HydrophobicContact CG-CD2 4.11Å; P79-L742 HydrophobicContact CG-CG 4.14Å; P79-L742 WeakPolarHBondContact O-CD2 3.18Å; P79-F796 HydrophobicContact CB-CB 4.22Å; P79-F796 HydrophobicContact CB-CD1 4.39Å; P79-D797 CarbonylContact C-O 3.56Å; P79-D797 WeakPolarHBondContact CA-O 3.4Å; P79-Y798 HydrophobicContact CB-CD1 4.41Å; P79-Y798 HydrophobicContact CB-CD2 3.85Å; P79-Y798 HydrophobicContact CB-CE1 4.1Å; P79-Y798 HydrophobicContact CB-CE2 3.44Å; P79-Y798 VanDerWaalsContact CB-CE2 3.44Å; P79-Y798 HydrophobicContact CB-CG 4.3Å; P79-Y798 HydrophobicContact CG-CE1 4.15Å; P79-Y798 HydrophobicContact CG-CE2 4.07Å
80	V	68.4	Low	53	Low	11 Å²	11	47.1 Å²	47.1	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.6	-174	171.2	0	0	0	0	110.6	H77 N78 L82 F796 D797 I825	H77-V80 VanDerWaalsContact CE1-CG2 3.44Å; H77-V80 WeakPolarHBondContact CE1-CG2 3.32Å; N78-V80 PolarHBondContact O-N 3.48Å; V80-L82 HydrophobicContact CG1-CD2 4.23Å; V80-L82 PolarHBondContact O-N 2.85Å; V80-F796 CarbonylContact O-C 3.49Å; V80-F796 WeakPolarHBondContact O-CA 3.47Å; V80-D797 PolarHBondContact N-O 2.92Å; V80-D797 PolarHBondContact O-N 3.18Å; V80-I825 HydrophobicContact CG1-CB 4.39Å; V80-I825 HydrophobicContact CG1-CD1 4.09Å; V80-I825 HydrophobicContact CG1-CG2 3.88Å
81	P	68	Low	51.4	Low	4 Å²	4	49.4 Å²	49.4	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	113.3	171.1	27.6	-30.8	0	0	0	109.7	P79 L795 F796 I825 W829	P79-P81 WeakPolarHBondContact O-CD 3.36Å; P81-L795 CarbonylContact C-O 3.57Å; P81-L795 WeakPolarHBondContact CA-O 3.4Å; P81-F796 HydrophobicContact CB-CD1 4.13Å; P81-F796 HydrophobicContact CB-CE1 3.92Å; P81-I825 HydrophobicContact CG-CG2 4.21Å; P81-I825 WeakPolarHBondContact O-CG2 3.42Å; P81-W829 HydrophobicContact CB-CB 4.43Å; P81-W829 HydrophobicContact CB-CD2 4.13Å; P81-W829 HydrophobicContact CB-CG 3.85Å; P81-W829 HydrophobicContact CG-CB 3.71Å; P81-W829 HydrophobicContact CG-CD2 3.98Å; P81-W829 HydrophobicContact CG-CE3 4.5Å; P81-W829 HydrophobicContact CG-CG 3.59Å
82	L	61.6	Low	50.1	Low	34 Å²	34	52.4 Å²	52.4	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-30.4	178.2	-64.6	-175.8	0	0	0	112.8	V80 L787 L795 D797 L865	V80-L82 HydrophobicContact CG1-CD2 4.23Å; V80-L82 PolarHBondContact O-N 2.85Å; L82-L787 HydrophobicContact CD1-CD2 3.79Å; L82-L795 HydrophobicContact CB-CD2 4.25Å; L82-L795 HydrophobicContact CB-CG 4.49Å; L82-L795 HydrophobicContact CD1-CD2 4.08Å; L82-L795 HydrophobicContact CD1-CG 4.49Å; L82-L795 PolarHBondContact N-O 3.39Å; L82-D797 HydrophobicContact CD1-CB 3.95Å; L82-D797 HydrophobicContact CD2-CB 4.28Å; L82-D797 HydrophobicContact CG-CB 4.02Å; L82-L865 HydrophobicContact CB-CD1 4.48Å; L82-L865 HydrophobicContact CD2-CD1 4.31Å; L82-L865 WeakPolarHBondContact O-CD1 3.38Å
83	L	53.1	Low	48.3	Very low	65 Å²	65	52.3 Å²	52.3	34%	0.34	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	106.6	-177.6	-71.8	170.1	0	0	0	110.1	L795	L83-L795 HydrophobicContact CB-CB 4.22Å; L83-L795 HydrophobicContact CD1-CB 4.34Å; L83-L795 HydrophobicContact CD1-CD2 4.05Å
84	P	47.8	Very low	46.2	Very low	33 Å²	33	58.9 Å²	58.9	21%	0.214	33%	0.33	C	S	.	.			trans	-76.9	122.6	169	-8.2	24.4	0	0	0	110.5	H86	P84-H86 PolarHBondContact O-N 2.93Å
85	T	39.8	Very low	44.4	Very low	6 Å²	6	64.7 Å²	64.7	4%	0.037	36%	0.362	C	S	.	.			trans	-89.8	100.6	175	64.4	0	0	0	0	111.6	Y87 I343 R764 Y792 G793 D794	T85-Y87 PolarHBondContact O-N 2.71Å; T85-I343 HydrophobicContact CG2-CB 4.44Å; T85-I343 HydrophobicContact CG2-CD1 3.9Å; T85-I343 HydrophobicContact CG2-CG1 3.87Å; T85-I343 HydrophobicContact CG2-CG2 3.73Å; T85-R764 PolarHBondContact O-NH1 2.86Å; T85-R764 PolarHBondContact O-NH2 2.94Å; T85-R764 PolarHBondContact OG1-NH1 3.35Å; T85-R764 PolarHBondContact OG1-NH2 3.3Å; T85-Y792 WeakPolarHBondContact CB-O 3.03Å; T85-Y792 VanDerWaalsContact CG2-O 3.31Å; T85-Y792 WeakPolarHBondContact CG2-O 3.34Å; T85-Y792 PolarHBondContact OG1-O 2.95Å; T85-G793 WeakPolarHBondContact CG2-O 3.11Å; T85-D794 PolarHBondContact N-OD1 3.46Å; T85-D794 VanDerWaalsContact N-OD1 3.17Å; T85-D794 PolarHBondContact OG1-OD1 3.46Å
86	H	40.1	Very low	42.7	Very low	76 Å²	76	73.7 Å²	73.7	35%	0.352	40%	0.402	S	S	.	.			trans	-70.6	33	-179	-56.5	-52.2	0	0	0	115.2	P84 E832 L858	P84-H86 PolarHBondContact O-N 2.93Å; H86-E832 IonicContact CE1-OE2 2.83Å; H86-E832 PolarHBondContact CE1-OE2 2.7Å; H86-L858 HydrophobicContact CB-CD2 3.85Å
87	Y	33.5	Very low	41	Very low	130 Å²	130	76.8 Å²	76.8	51%	0.51	43%	0.426	S	S	.	.			trans	-99.2	95.2	174.3	-65.3	-65.8	0	0	0	110.4	T85 I343 R764	T85-Y87 PolarHBondContact O-N 2.71Å; Y87-I343 HydrophobicContact CD2-CG2 3.9Å; Y87-I343 HydrophobicContact CE2-CG2 4.07Å; Y87-R764 PolarHBondContact O-NH2 3.27Å
88	S	27.5	Very low	39.2	Very low	79 Å²	79	81.3 Å²	81.3	55%	0.552	46%	0.458	S	S	*	.			trans	-76.8	120.1	161.7	50.7	0	0	0	0	109	S90	S88-S90 PolarHBondContact O-N 3.37Å
89	Y	27.6	Very low	37.2	Very low	179 Å²	179	89.5 Å²	89.5	70%	0.702	49%	0.493	S	S	*	.			trans	-71.2	100.5	168	-164	-82.3	0	0	0	107.6	V91	Y89-V91 HydrophobicContact CD1-CG2 3.9Å; Y89-V91 HydrophobicContact CE1-CG2 4.41Å; Y89-V91 PolarHBondContact O-N 3.13Å
90	S	26.2	Very low	34.9	Very low	92 Å²	92	96.8 Å²	96.8	64%	0.643	53%	0.532	S	S	*	.			trans	-69.2	98.5	176	57.1	0	0	0	0	109	S88 S92	S88-S90 PolarHBondContact O-N 3.37Å; S90-S92 PolarHBondContact O-N 3.18Å
91	V	25.1	Very low	32.7	Very low	121 Å²	121	106.5 Å²	106.5	73%	0.733	57%	0.569	S	S	*	*			trans	-70.7	71.2	166.8	-172.5	0	0	0	0	108.2	Y89 G93	Y89-V91 HydrophobicContact CD1-CG2 3.9Å; Y89-V91 HydrophobicContact CE1-CG2 4.41Å; Y89-V91 PolarHBondContact O-N 3.13Å; V91-G93 PolarHBondContact O-N 3.45Å
92	S	24.9	Very low	30.7	Very low	108 Å²	108	113.9 Å²	113.9	76%	0.755	61%	0.609	S	S	*	*			trans	-69.1	86.5	166.3	53.5	0	0	0	0	107.1	S90	S90-S92 PolarHBondContact O-N 3.18Å
93	G	24.4	Very low	29.1	Very low	41 Å²	41	121.9 Å²	121.9	42%	0.423	64%	0.642	S	S	.	*			trans	-60.3	140	-164	0	0	0	0	0	114	V91 N95	V91-G93 PolarHBondContact O-N 3.45Å; G93-N95 PolarHBondContact O-N 3.14Å
94	T	22.9	Very low	27.9	Very low	143 Å²	143	128.2 Å²	128.2	88%	0.877	67%	0.67	S	S	*	*				31	68.5	129.1	57.6	0	0	0	0	116.2
95	N	23.7	Very low	26.8	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	70%	0.703	S	S	*	*			trans	-149.4	112	160.2	-102.1	-39.6	0	0	0	112	G93 S97	G93-N95 PolarHBondContact O-N 3.14Å; N95-S97 PolarHBondContact O-N 2.83Å
96	K	24.3	Very low	26.2	Very low	220 Å²	220	144.6 Å²	144.6	96%	0.957	74%	0.74	S	S	*	*			trans	-81.2	84.6	177	-67.2	171.7	178.4	170.4	0	110
97	S	23.3	Very low	25.5	Very low	85 Å²	85	150 Å²	150	59%	0.594	77%	0.765	S	S	*	*			trans	-157.6	115.9	167.5	59.4	0	0	0	0	114.3	N95	N95-S97 PolarHBondContact O-N 2.83Å
98	S	22.7	Very low	25.3	Very low	103 Å²	103	153.3 Å²	153.3	72%	0.72	79%	0.786	S	S	*	*			trans	0.8	121.6	148.8	55.2	0	0	0	0	118.4
99	F	24.1	Very low	25.3	Very low	200 Å²	200	160 Å²	160	88%	0.877	81%	0.805	S	S	*	*			trans	-134.6	129.1	147.3	-104	-84.8	0	0	0	109.8
100	N	24.4	Very low	25.3	Very low	153 Å²	153	154.2 Å²	154.2	82%	0.818	80%	0.799	S	S	*	*			trans	-74.9	148.9	-175	-71.1	-11.9	0	0	0	112
101	Y	22.9	Very low	25.4	Very low	214 Å²	214	159.6 Å²	159.6	84%	0.839	81%	0.811	S	S	*	*	S	Bend	trans	-67.6	-178.5	157.4	-80.2	-116.4	0	0	0	110.4
102	D	26	Very low	25.6	Very low	160 Å²	160	161.5 Å²	161.5	86%	0.856	82%	0.817	S	S	*	*	S	Bend	trans	95.7	9.3	165.6	-50.4	-15	0	0	0	120
103	K	27	Very low	25.6	Very low	201 Å²	201	165.6 Å²	165.6	87%	0.874	82%	0.821	S	S	*	*	S	Bend	trans	-134.8	9	-177.8	-82.4	-160	173.8	-173.2	0	121.1
104	Q	27.1	Very low	25.8	Very low	198 Å²	198	171.1 Å²	171.1	93%	0.925	83%	0.834	S	S	*	*			trans	-139	53.5	172.5	-65.4	-161.6	-86.5	0	0	113.9
105	F	26	Very low	26	Very low	210 Å²	210	170.3 Å²	170.3	92%	0.921	82%	0.823	S	S	*	*			trans	-95.3	161.6	142.7	-87.5	-95.9	0	0	0	108
106	E	26.2	Very low	26.4	Very low	174 Å²	174	167.4 Å²	167.4	81%	0.813	81%	0.811	S	S	*	*	S	Bend	trans	73.8	155.3	-158.8	-58.8	-64	129.6	0	0	114.3
107	E	26.4	Very low	27	Very low	188 Å²	188	161.1 Å²	161.1	88%	0.879	79%	0.788	S	S	*	*			trans	61.4	64.8	174.8	-57.7	-164	162.7	0	0	120.2
108	E	28.8	Very low	27.5	Very low	200 Å²	200	161.1 Å²	161.1	94%	0.935	79%	0.787	S	S	*	*			trans	-155.8	65.3	135.5	-128.1	-179.8	-153.7	0	0	114.4	G110	E108-G110 PolarHBondContact O-N 3.09Å
109	K	26.7	Very low	28	Very low	221 Å²	221	157.9 Å²	157.9	96%	0.961	77%	0.765	S	S	*	*			trans	-75.6	89.4	171.9	-79.3	179.4	179.5	165.6	0	111.9
110	G	28	Very low	28.7	Very low	56 Å²	56	149 Å²	149	58%	0.577	73%	0.727	S	S	*	*			trans	130	89.3	149.6	0	0	0	0	0	117.8	E108	E108-G110 PolarHBondContact O-N 3.09Å
111	K	29.4	Very low	29.4	Very low	205 Å²	205	143.2 Å²	143.2	89%	0.891	70%	0.697	S	S	*	*			trans	-167.4	84.5	149.7	-102.3	147	-172	172.7	0	110.6	K113	K111-K113 PolarHBondContact O-N 3Å; K111-K113 VanDerWaalsContact O-N 3.08Å
112	N	27.9	Very low	30	Very low	161 Å²	161	141.7 Å²	141.7	86%	0.861	69%	0.69	S	S	*	*			trans	-70.7	102.4	-178.8	-68.2	-6.5	0	0	0	112
113	K	25.7	Very low	30.8	Very low	194 Å²	194	139.3 Å²	139.3	84%	0.843	68%	0.677	S	S	*	*	S	Bend	trans	-169.1	130.9	156.9	-105.3	148.4	-173.4	179	0	112.6	K111	K111-K113 PolarHBondContact O-N 3Å; K111-K113 VanDerWaalsContact O-N 3.08Å
114	K	27.8	Very low	31.5	Very low	158 Å²	158	132.6 Å²	132.6	69%	0.687	65%	0.647	S	S	*	*			trans	46.5	91.4	162.9	-61.5	-170	177.3	-170.7	0	117.7	N860	K114-N860 PolarHBondContact NZ-OD1 3.15Å
115	L	28.2	Very low	32.2	Very low	125 Å²	125	125.4 Å²	125.4	65%	0.654	63%	0.626	S	S	*	*			trans	-143.2	21.7	170.7	-151.3	87.2	0	0	0	114.8
116	V	31.6	Very low	33.1	Very low	90 Å²	90	116.7 Å²	116.7	55%	0.545	59%	0.587	S	S	.	*	H	α-helix	trans	-84.9	-38.9	-163.1	-175.7	0	0	0	0	114.2	S118 S119 T120	V116-S118 PolarHBondContact O-N 3.03Å; V116-S119 PolarHBondContact O-N 2.98Å; V116-T120 HydrophobicContact CG1-CG2 4.12Å; V116-T120 WeakPolarHBondContact O-CG2 3.34Å; V116-T120 PolarHBondContact O-N 3.36Å; V116-T120 PolarHBondContact O-OG1 3.31Å
117	D	37.5	Very low	33.8	Very low	88 Å²	88	113.6 Å²	113.6	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-72.7	-23.6	-171.1	-67.9	-83.1	0	0	0	114.7	K147	D117-K147 IonicContact OD1-NZ 2.71Å; D117-K147 PolarHBondContact OD1-NZ 2.92Å
118	S	32.5	Very low	34.3	Very low	84 Å²	84	112.8 Å²	112.8	59%	0.587	57%	0.569	S	S	*	*	H	α-helix	trans	-94.2	-21.8	174.4	64.3	0	0	0	0	113.9	V116	V116-S118 PolarHBondContact O-N 3.03Å
119	S	34.4	Very low	34.7	Very low	36 Å²	36	106.5 Å²	106.5	25%	0.252	54%	0.541	S	S	.	.	H	α-helix	trans	-73.4	-52.4	174.9	91.9	0	0	0	0	109.1	V116 V121 R122 D123	V116-S119 PolarHBondContact O-N 2.98Å; S119-V121 PolarHBondContact O-N 2.84Å; S119-R122 CarbonylContact O-C 3.55Å; S119-R122 WeakPolarHBondContact O-CA 3.27Å; S119-R122 WeakPolarHBondContact O-CB 3.28Å; S119-R122 PolarHBondContact O-N 2.77Å; S119-D123 WeakPolarHBondContact CB-OD2 3.26Å; S119-D123 WeakPolarHBondContact O-CB 3.43Å; S119-D123 PolarHBondContact O-N 2.98Å; S119-D123 PolarHBondContact OG-OD2 2.69Å
120	T	38.5	Very low	35.3	Very low	14 Å²	14	97 Å²	97	9%	0.086	50%	0.501	C	S	.	.	H	α-helix	trans	-54.4	-28.5	-175.5	46.3	0	0	0	0	115.7	V116 D123 Y124	V116-T120 HydrophobicContact CG1-CG2 4.12Å; V116-T120 WeakPolarHBondContact O-CG2 3.34Å; V116-T120 PolarHBondContact O-N 3.36Å; V116-T120 PolarHBondContact O-OG1 3.31Å; T120-D123 PolarHBondContact N-OD2 2.72Å; T120-Y124 WeakPolarHBondContact O-CD2 3.38Å
121	V	38	Very low	35.7	Very low	31 Å²	31	99.4 Å²	99.4	19%	0.188	50%	0.501	C	S	.	.	H	α-helix	trans	-74.5	-32.9	174.2	-178.9	0	0	0	0	112.4	S119 Y126 E127 L130 F143	S119-V121 PolarHBondContact O-N 2.84Å; V121-Y126 PolarHBondContact O-N 3.4Å; V121-E127 HydrophobicContact CG1-CB 4.29Å; V121-L130 HydrophobicContact CG1-CD1 4.38Å; V121-F143 HydrophobicContact CG2-CD2 4.37Å; V121-F143 HydrophobicContact CG2-CE2 3.7Å; V121-F143 HydrophobicContact CG2-CZ 4.41Å
122	R	37	Very low	35.9	Very low	182 Å²	182	92.8 Å²	92.8	69%	0.687	48%	0.475	S	S	*	.	H	α-helix	trans	-84.5	-44.2	176.3	-83.2	-175.6	164.8	-163.6	-4.4	113.2	S119 Y124 G125	S119-R122 CarbonylContact O-C 3.55Å; S119-R122 WeakPolarHBondContact O-CA 3.27Å; S119-R122 WeakPolarHBondContact O-CB 3.28Å; S119-R122 PolarHBondContact O-N 2.77Å; R122-Y124 PolarHBondContact O-N 2.86Å; R122-Y124 VanDerWaalsContact O-N 3.14Å; R122-G125 PolarHBondContact O-N 2.72Å
123	D	41.5	Very low	36.4	Very low	110 Å²	110	95.4 Å²	95.4	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-58.7	-28.9	-174.4	-59.7	-23.2	0	0	0	112.1	S119 T120	S119-D123 WeakPolarHBondContact CB-OD2 3.26Å; S119-D123 WeakPolarHBondContact O-CB 3.43Å; S119-D123 PolarHBondContact O-N 2.98Å; S119-D123 PolarHBondContact OG-OD2 2.69Å; T120-D123 PolarHBondContact N-OD2 2.72Å
124	Y	42.6	Very low	36.8	Very low	60 Å²	60	92.9 Å²	92.9	24%	0.235	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	8	175.9	-58.3	-71.6	0	0	0	114.1	T120 R122 Y126 Q149 L200	T120-Y124 WeakPolarHBondContact O-CD2 3.38Å; R122-Y124 PolarHBondContact O-N 2.86Å; R122-Y124 VanDerWaalsContact O-N 3.14Å; Y124-Y126 VanDerWaalsContact C-N 3.3Å; Y124-Y126 HydrophobicContact CG-CE2 4.06Å; Y124-Y126 PolarHBondContact O-N 3.14Å; Y124-Y126 VanDerWaalsContact O-N 3.16Å; Y124-Q149 PolarHBondContact OH-OE1 2.95Å; Y124-L200 HydrophobicContact CD1-CD1 4.1Å; Y124-L200 HydrophobicContact CD1-CD2 3.83Å; Y124-L200 HydrophobicContact CE1-CD1 3.69Å; Y124-L200 HydrophobicContact CE1-CD2 3.77Å; Y124-L200 HydrophobicContact CE1-CG 4.39Å; Y124-L200 HydrophobicContact CE2-CD1 4.35Å
125	G	42.5	Very low	37.1	Very low	47 Å²	47	88.2 Å²	88.2	49%	0.485	45%	0.451	S	S	.	.			trans	70	6.9	169.6	0	0	0	0	0	117.9	R122 E127	R122-G125 PolarHBondContact O-N 2.72Å; G125-E127 PolarHBondContact O-N 3Å; G125-E127 VanDerWaalsContact O-N 3.14Å
126	Y	44.5	Very low	37.9	Very low	27 Å²	27	82.7 Å²	82.7	11%	0.106	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.1	-173	-56.8	-50.3	0	0	0	115.2	V121 Y124 Q128 L129 L130 A139 A142 F143	V121-Y126 PolarHBondContact O-N 3.4Å; Y124-Y126 VanDerWaalsContact C-N 3.3Å; Y124-Y126 HydrophobicContact CG-CE2 4.06Å; Y124-Y126 PolarHBondContact O-N 3.14Å; Y124-Y126 VanDerWaalsContact O-N 3.16Å; Y126-Q128 PolarHBondContact O-N 3.1Å; Y126-Q128 VanDerWaalsContact O-N 3.08Å; Y126-L129 HydrophobicContact CD1-CD1 4.08Å; Y126-L129 PolarHBondContact O-N 3.45Å; Y126-L129 VanDerWaalsContact O-N 3.09Å; Y126-L130 WeakPolarHBondContact O-CB 3.28Å; Y126-L130 WeakPolarHBondContact O-CD1 3.41Å; Y126-L130 VanDerWaalsContact O-CG 3.24Å; Y126-L130 WeakPolarHBondContact O-CG 3.24Å; Y126-L130 PolarHBondContact O-N 2.73Å; Y126-A139 HydrophobicContact CD1-CB 4.33Å; Y126-A142 HydrophobicContact CE1-CB 3.93Å; Y126-A142 HydrophobicContact CE2-CB 4.01Å; Y126-A142 WeakPolarHBondContact OH-CB 2.97Å; Y126-F143 HydrophobicContact CD2-CB 4.24Å
127	E	39.5	Very low	38.5	Very low	108 Å²	108	82.5 Å²	82.5	51%	0.505	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.8	-175.7	-168.7	167.1	-159.6	0	0	114.1	V121 G125 N131	V121-E127 HydrophobicContact CG1-CB 4.29Å; G125-E127 PolarHBondContact O-N 3Å; G125-E127 VanDerWaalsContact O-N 3.14Å; E127-N131 PolarHBondContact O-ND2 2.99Å; E127-N131 VanDerWaalsContact O-ND2 3.15Å
128	Q	38.5	Very low	38.9	Very low	171 Å²	171	81.5 Å²	81.5	80%	0.799	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-42.2	175.3	-63.6	-178.5	5.4	0	0	112.7	Y126 L130 N131	Y126-Q128 PolarHBondContact O-N 3.1Å; Y126-Q128 VanDerWaalsContact O-N 3.08Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-L130 PolarHBondContact O-N 3.29Å; Q128-N131 PolarHBondContact O-N 2.87Å; Q128-N131 VanDerWaalsContact O-N 3.14Å
129	L	36.7	Very low	39.6	Very low	69 Å²	69	77.7 Å²	77.7	36%	0.361	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-65.5	-27.6	-176.3	-65.5	165.6	0	0	0	113	Y126 N131 D132 L135 G136 A139	Y126-L129 HydrophobicContact CD1-CD1 4.08Å; Y126-L129 PolarHBondContact O-N 3.45Å; Y126-L129 VanDerWaalsContact O-N 3.09Å; L129-N131 PolarHBondContact O-N 3.18Å; L129-D132 WeakPolarHBondContact O-CB 3.14Å; L129-D132 PolarHBondContact O-N 2.8Å; L129-D132 VanDerWaalsContact O-N 3.17Å; L129-L135 HydrophobicContact CD2-CB 4.04Å; L129-L135 HydrophobicContact CD2-CD1 3.59Å; L129-L135 HydrophobicContact CD2-CG 4.46Å; L129-G136 WeakPolarHBondContact O-CA 3.35Å; L129-G136 PolarHBondContact O-N 2.82Å; L129-A139 HydrophobicContact CB-CB 3.79Å
130	L	39.7	Very low	40.3	Very low	21 Å²	21	77.2 Å²	77.2	11%	0.11	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-70	-7.2	176.1	-70.1	161.2	0	0	0	114.1	V121 Y126 Q128 A139	V121-L130 HydrophobicContact CG1-CD1 4.38Å; Y126-L130 WeakPolarHBondContact O-CB 3.28Å; Y126-L130 WeakPolarHBondContact O-CD1 3.41Å; Y126-L130 VanDerWaalsContact O-CG 3.24Å; Y126-L130 WeakPolarHBondContact O-CG 3.24Å; Y126-L130 PolarHBondContact O-N 2.73Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-L130 PolarHBondContact O-N 3.29Å; L130-A139 HydrophobicContact CD2-CB 3.75Å; L130-A139 HydrophobicContact CG-CB 3.93Å
131	N	34.6	Very low	40.9	Very low	107 Å²	107	77 Å²	77	57%	0.572	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-104.7	-0.3	173.3	-61.4	-63	0	0	0	113	E127 Q128 L129	E127-N131 PolarHBondContact O-ND2 2.99Å; E127-N131 VanDerWaalsContact O-ND2 3.15Å; Q128-N131 PolarHBondContact O-N 2.87Å; Q128-N131 VanDerWaalsContact O-N 3.14Å; L129-N131 PolarHBondContact O-N 3.18Å
132	D	34.5	Very low	41.6	Very low	65 Å²	65	75.9 Å²	75.9	35%	0.348	37%	0.373	S	S	.	.			trans	-88.9	127.6	-178.4	-170.5	-51.3	0	0	0	110.6	L129 I134 L135 G136	L129-D132 WeakPolarHBondContact O-CB 3.14Å; L129-D132 PolarHBondContact O-N 2.8Å; L129-D132 VanDerWaalsContact O-N 3.17Å; D132-I134 PolarHBondContact O-N 2.92Å; D132-I134 WeakPolarHBondContact OD1-CA 3.22Å; D132-I134 WeakPolarHBondContact OD1-CB 3.46Å; D132-I134 PolarHBondContact OD1-N 2.84Å; D132-L135 HydrophobicContact CB-CB 3.95Å; D132-L135 PolarHBondContact OD1-N 2.86Å; D132-G136 WeakPolarHBondContact O-CA 3.31Å; D132-G136 PolarHBondContact O-N 2.82Å
133	Y	37.5	Very low	42.5	Very low	216 Å²	216	68.2 Å²	68.2	85%	0.847	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.8	-179.8	-70.4	-88.5	0	0	0	114.1
134	I	34.2	Very low	43.2	Very low	141 Å²	141	64.9 Å²	64.9	72%	0.723	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-41.1	-177.7	-55.3	176.3	0	0	0	110.4	D132	D132-I134 PolarHBondContact O-N 2.92Å; D132-I134 WeakPolarHBondContact OD1-CA 3.22Å; D132-I134 WeakPolarHBondContact OD1-CB 3.46Å; D132-I134 PolarHBondContact OD1-N 2.84Å
135	L	36.1	Very low	43.9	Very low	60 Å²	60	62 Å²	62	31%	0.314	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-12	-175.4	-56.6	176.5	0	0	0	114.2	L129 D132 E137 Q138 A139	L129-L135 HydrophobicContact CD2-CB 4.04Å; L129-L135 HydrophobicContact CD2-CD1 3.59Å; L129-L135 HydrophobicContact CD2-CG 4.46Å; D132-L135 HydrophobicContact CB-CB 3.95Å; D132-L135 PolarHBondContact OD1-N 2.86Å; L135-E137 PolarHBondContact O-N 3.35Å; L135-Q138 PolarHBondContact O-N 2.79Å; L135-A139 PolarHBondContact O-N 3.11Å
136	G	43.7	Very low	44.4	Very low	9 Å²	9	59.9 Å²	59.9	9%	0.093	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-28.3	-176.9	0	0	0	0	0	114.9	L129 D132 C140	L129-G136 WeakPolarHBondContact O-CA 3.35Å; L129-G136 PolarHBondContact O-N 2.82Å; D132-G136 WeakPolarHBondContact O-CA 3.31Å; D132-G136 PolarHBondContact O-N 2.82Å; G136-C140 WeakPolarHBondContact O-CB 3.32Å; G136-C140 PolarHBondContact O-N 3.19Å; G136-C140 PolarHBondContact O-SG 3Å
137	E	43.8	Very low	44.9	Very low	87 Å²	87	61.6 Å²	61.6	41%	0.407	30%	0.301	S	S	.	.	H	α-helix	trans	-75.3	-42.4	177.4	-68.2	-179.9	-177.3	0	0	112.1	L135 A139 C140 A141 R348	L135-E137 PolarHBondContact O-N 3.35Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.25Å; E137-C140 PolarHBondContact O-N 3.06Å; E137-A141 WeakPolarHBondContact O-CB 3.3Å; E137-A141 PolarHBondContact O-N 2.73Å; E137-R348 VanDerWaalsContact CG-NH2 3.26Å; E137-R348 IonicContact OE1-CZ 2.98Å; E137-R348 IonicContact OE1-NH1 3.91Å; E137-R348 PolarHBondContact OE1-NH1 3.33Å; E137-R348 VanDerWaalsContact OE1-NH1 3.11Å; E137-R348 IonicContact OE1-NH2 3.92Å; E137-R348 PolarHBondContact OE1-NH2 3.49Å
138	Q	45.8	Very low	45.8	Very low	67 Å²	67	58.4 Å²	58.4	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-41.2	172	-64.8	-179.1	-8.9	0	0	110.9	L135 A141 A142 V206	L135-Q138 PolarHBondContact O-N 2.79Å; Q138-A141 PolarHBondContact O-N 3.46Å; Q138-A142 VanDerWaalsContact O-CB 3.22Å; Q138-A142 WeakPolarHBondContact O-CB 3.26Å; Q138-A142 PolarHBondContact O-N 2.83Å; Q138-V206 HydrophobicContact CG-CG2 3.88Å
139	A	48.5	Very low	46.7	Very low	3 Å²	3	50.5 Å²	50.5	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-39.8	176	0	0	0	0	0	112.7	Y126 L129 L130 L135 E137 F143	Y126-A139 HydrophobicContact CD1-CB 4.33Å; L129-A139 HydrophobicContact CB-CB 3.79Å; L130-A139 HydrophobicContact CD2-CB 3.75Å; L130-A139 HydrophobicContact CG-CB 3.93Å; L135-A139 PolarHBondContact O-N 3.11Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.25Å; A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.49Å
140	C	49.6	Very low	47.4	Very low	27 Å²	27	48.4 Å²	48.4	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-42.8	175.2	-73.2	0	0	0	0	112.2	G136 E137 F143 L144 L341	G136-C140 WeakPolarHBondContact O-CB 3.32Å; G136-C140 PolarHBondContact O-N 3.19Å; G136-C140 PolarHBondContact O-SG 3Å; E137-C140 PolarHBondContact O-N 3.06Å; C140-F143 PolarHBondContact O-N 2.87Å; C140-L144 WeakPolarHBondContact O-CB 2.86Å; C140-L144 PolarHBondContact O-N 3.27Å; C140-L341 HydrophobicContact CB-CD1 4.41Å
141	A	51.1	Low	48	Very low	10 Å²	10	50.5 Å²	50.5	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-69.5	-38	178.7	0	0	0	0	0	112.4	E137 Q138 L144 C145 Q209 I213	E137-A141 WeakPolarHBondContact O-CB 3.3Å; E137-A141 PolarHBondContact O-N 2.73Å; Q138-A141 PolarHBondContact O-N 3.46Å; A141-L144 PolarHBondContact O-N 3.13Å; A141-C145 PolarHBondContact O-N 3.4Å; A141-C145 PolarHBondContact O-SG 2.83Å; A141-Q209 HydrophobicContact CB-CG 3.85Å; A141-I213 HydrophobicContact CB-CD1 4.07Å
142	A	52	Low	48.9	Very low	6 Å²	6	45.5 Å²	45.5	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-69.2	-38.3	173.9	0	0	0	0	0	111.9	Y126 Q138 L144 C145 G146	Y126-A142 HydrophobicContact CE1-CB 3.93Å; Y126-A142 HydrophobicContact CE2-CB 4.01Å; Y126-A142 WeakPolarHBondContact OH-CB 2.97Å; Q138-A142 VanDerWaalsContact O-CB 3.22Å; Q138-A142 WeakPolarHBondContact O-CB 3.26Å; Q138-A142 PolarHBondContact O-N 2.83Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 2.68Å; A142-C145 PolarHBondContact O-N 2.89Å; A142-G146 PolarHBondContact O-N 2.72Å
143	F	56.2	Low	49.9	Very low	22 Å²	22	48.5 Å²	48.5	10%	0.096	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-38.1	169.7	174.5	-104.9	0	0	0	112.6	V121 Y126 A139 C140 G146 K147	V121-F143 HydrophobicContact CG2-CD2 4.37Å; V121-F143 HydrophobicContact CG2-CE2 3.7Å; V121-F143 HydrophobicContact CG2-CZ 4.41Å; Y126-F143 HydrophobicContact CD2-CB 4.24Å; A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.49Å; C140-F143 PolarHBondContact O-N 2.87Å; F143-G146 PolarHBondContact O-N 3Å; F143-K147 HydrophobicContact CE1-CD 4.26Å; F143-K147 HydrophobicContact CE1-CG 4.45Å; F143-K147 HydrophobicContact CZ-CD 4.19Å; F143-K147 HydrophobicContact CZ-CG 4.3Å; F143-K147 PolarHBondContact O-N 3.45Å
144	L	55.5	Low	50.5	Low	39 Å²	39	41.5 Å²	41.5	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-42.2	175.6	-163.6	155.3	0	0	0	111.1	C140 A141 A142 G146 K147 L148 F338 L341	C140-L144 WeakPolarHBondContact O-CB 2.86Å; C140-L144 PolarHBondContact O-N 3.27Å; A141-L144 PolarHBondContact O-N 3.13Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 2.68Å; L144-G146 VanDerWaalsContact C-N 3.32Å; L144-G146 PolarHBondContact O-N 3.12Å; L144-K147 PolarHBondContact O-N 2.89Å; L144-L148 PolarHBondContact O-N 2.77Å; L144-F338 HydrophobicContact CD1-CD1 4.47Å; L144-F338 HydrophobicContact CD1-CE1 4.46Å; L144-L341 HydrophobicContact CD1-CD1 4.21Å
145	C	56.8	Low	51	Low	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-39.7	170.7	-63.3	0	0	0	0	111.8	A141 A142 L148 Q149 L200	A141-C145 PolarHBondContact O-N 3.4Å; A141-C145 PolarHBondContact O-SG 2.83Å; A142-C145 PolarHBondContact O-N 2.89Å; C145-L148 WeakPolarHBondContact O-CB 3.48Å; C145-L148 PolarHBondContact O-N 3.3Å; C145-Q149 WeakPolarHBondContact O-CB 3.3Å; C145-Q149 PolarHBondContact O-N 2.87Å; C145-L200 HydrophobicContact CB-CB 4.15Å
146	G	54	Low	51.6	Low	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-37.5	175.7	0	0	0	0	0	113.2	A142 F143 L144 G150	A142-G146 PolarHBondContact O-N 2.72Å; F143-G146 PolarHBondContact O-N 3Å; L144-G146 VanDerWaalsContact C-N 3.32Å; L144-G146 PolarHBondContact O-N 3.12Å; G146-G150 PolarHBondContact O-N 3Å
147	K	55.3	Low	51.6	Low	63 Å²	63	38.9 Å²	38.9	27%	0.274	21%	0.214	S	C	.	.	H	α-helix	trans	-66.4	-39.3	170.3	-80.1	-151.3	163.7	-160.6	0	112.2	D117 F143 L144 G150 L151	D117-K147 IonicContact OD1-NZ 2.71Å; D117-K147 PolarHBondContact OD1-NZ 2.92Å; F143-K147 HydrophobicContact CE1-CD 4.26Å; F143-K147 HydrophobicContact CE1-CG 4.45Å; F143-K147 HydrophobicContact CZ-CD 4.19Å; F143-K147 HydrophobicContact CZ-CG 4.3Å; F143-K147 PolarHBondContact O-N 3.45Å; L144-K147 PolarHBondContact O-N 2.89Å; K147-G150 PolarHBondContact O-N 2.83Å; K147-L151 WeakPolarHBondContact O-CG 3.4Å; K147-L151 PolarHBondContact O-N 2.79Å
148	L	57.2	Low	51.7	Low	42 Å²	42	39.2 Å²	39.2	22%	0.22	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-50.3	174.3	-153.9	88.3	0	0	0	111.1	L144 C145 G150 L151 L152 I216	L144-L148 PolarHBondContact O-N 2.77Å; C145-L148 WeakPolarHBondContact O-CB 3.48Å; C145-L148 PolarHBondContact O-N 3.3Å; L148-G150 VanDerWaalsContact C-N 3.27Å; L148-G150 PolarHBondContact O-N 3.48Å; L148-L151 PolarHBondContact O-N 3.38Å; L148-L152 HydrophobicContact CD2-CD1 4.27Å; L148-L152 HydrophobicContact CG-CD1 4.33Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 2.84Å; L148-I216 HydrophobicContact CD2-CD1 4.43Å; L148-I216 HydrophobicContact CD2-CG2 4.35Å
149	Q	57.1	Low	51.6	Low	4 Å²	4	37 Å²	37	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-37.5	177.6	-159.8	-170.1	48.3	0	0	111.2	Y124 C145 R153 F193 E197	Y124-Q149 PolarHBondContact OH-OE1 2.95Å; C145-Q149 WeakPolarHBondContact O-CB 3.3Å; C145-Q149 PolarHBondContact O-N 2.87Å; Q149-R153 VanDerWaalsContact O-CB 3.29Å; Q149-R153 WeakPolarHBondContact O-CB 3.23Å; Q149-R153 VanDerWaalsContact O-CG 3.25Å; Q149-R153 WeakPolarHBondContact O-CG 3.5Å; Q149-R153 PolarHBondContact O-N 3.24Å; Q149-F193 HydrophobicContact CG-CD1 4.22Å; Q149-F193 HydrophobicContact CG-CE1 3.92Å; Q149-E197 PolarHBondContact NE2-OE2 2.98Å
150	G	52.4	Low	51.3	Low	25 Å²	25	40.9 Å²	40.9	26%	0.258	22%	0.223	S	C	.	.	H	α-helix	trans	-64.3	-45.2	173.8	0	0	0	0	0	113.7	G146 K147 L148 R153 A154	G146-G150 PolarHBondContact O-N 3Å; K147-G150 PolarHBondContact O-N 2.83Å; L148-G150 VanDerWaalsContact C-N 3.27Å; L148-G150 PolarHBondContact O-N 3.48Å; G150-R153 PolarHBondContact O-N 2.91Å; G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.14Å
151	L	52.2	Low	51	Low	65 Å²	65	45.5 Å²	45.5	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-39.2	175.7	-75.1	167.5	0	0	0	112.3	K147 L148 N155 Y302	K147-L151 WeakPolarHBondContact O-CG 3.4Å; K147-L151 PolarHBondContact O-N 2.79Å; L148-L151 PolarHBondContact O-N 3.38Å; L151-N155 PolarHBondContact O-ND2 3.09Å; L151-Y302 HydrophobicContact CD2-CE1 4.49Å
152	L	53.9	Low	50.4	Low	3 Å²	3	48 Å²	48	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-48.3	175.3	-66	168.5	0	0	0	110.9	L148 A154 N155 I156 L192 F193 L301	L148-L152 HydrophobicContact CD2-CD1 4.27Å; L148-L152 HydrophobicContact CG-CD1 4.33Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 2.84Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.49Å; L152-N155 PolarHBondContact O-N 2.58Å; L152-N155 VanDerWaalsContact O-N 3.11Å; L152-I156 PolarHBondContact O-N 3.06Å; L152-L192 HydrophobicContact CD1-CB 4.08Å; L152-F193 HydrophobicContact CB-CD2 4.01Å; L152-F193 HydrophobicContact CB-CE1 4.06Å; L152-F193 HydrophobicContact CB-CE2 3.52Å; L152-F193 HydrophobicContact CB-CG 4.49Å; L152-F193 HydrophobicContact CB-CZ 3.53Å; L152-F193 HydrophobicContact CD1-CD1 4.47Å; L152-F193 HydrophobicContact CD1-CD2 4.28Å; L152-F193 HydrophobicContact CD1-CG 4.21Å; L152-L301 HydrophobicContact CD2-CD2 4.19Å
153	R	54.9	Low	49.5	Very low	127 Å²	127	50.8 Å²	50.8	48%	0.479	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-41.2	176.2	-77.4	178	177.7	168.9	1.5	112.5	Q149 G150 N155 I156 F193	Q149-R153 VanDerWaalsContact O-CB 3.29Å; Q149-R153 WeakPolarHBondContact O-CB 3.23Å; Q149-R153 VanDerWaalsContact O-CG 3.25Å; Q149-R153 WeakPolarHBondContact O-CG 3.5Å; Q149-R153 PolarHBondContact O-N 3.24Å; G150-R153 PolarHBondContact O-N 2.91Å; R153-N155 PolarHBondContact O-N 3.4Å; R153-I156 HydrophobicContact CG-CD1 4.29Å; R153-I156 PolarHBondContact O-N 3.33Å; R153-F193 HydrophobicContact CB-CZ 4.42Å; R153-F193 HydrophobicContact CG-CE1 3.78Å; R153-F193 HydrophobicContact CG-CZ 3.69Å
154	A	50.7	Low	48.6	Very low	69 Å²	69	56 Å²	56	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-62.5	-22.8	178.4	0	0	0	0	0	113.9	G150 L152	G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.14Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-A154 PolarHBondContact O-N 3.49Å
155	N	45.3	Very low	47.8	Very low	13 Å²	13	60.4 Å²	60.4	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-104.3	-2.6	-179.8	-71.3	-63.7	0	0	0	114.3	L151 L152 R153 S157 K158 F159	L151-N155 PolarHBondContact O-ND2 3.09Å; L152-N155 PolarHBondContact O-N 2.58Å; L152-N155 VanDerWaalsContact O-N 3.11Å; R153-N155 PolarHBondContact O-N 3.4Å; N155-S157 PolarHBondContact O-N 3.05Å; N155-S157 VanDerWaalsContact O-N 3.14Å; N155-K158 WeakPolarHBondContact O-CA 3.04Å; N155-K158 WeakPolarHBondContact O-CB 3.47Å; N155-K158 PolarHBondContact O-N 3.06Å; N155-F159 HydrophobicContact CB-CD2 4.32Å; N155-F159 HydrophobicContact CB-CE2 3.7Å; N155-F159 HydrophobicContact CB-CZ 4.04Å; N155-F159 VanDerWaalsContact O-CD2 3.29Å; N155-F159 WeakPolarHBondContact O-CD2 3.14Å; N155-F159 PolarHBondContact O-N 3.45Å; N155-F159 VanDerWaalsContact O-N 3.09Å
156	I	48.1	Very low	46.8	Very low	69 Å²	69	63.9 Å²	63.9	35%	0.354	33%	0.333	S	S	.	.	H	α-helix	trans	-47.9	-43.7	175.9	-78.2	177.5	0	0	0	112.7	L152 R153 K158 F159 I160 F193	L152-I156 PolarHBondContact O-N 3.06Å; R153-I156 HydrophobicContact CG-CD1 4.29Å; R153-I156 PolarHBondContact O-N 3.33Å; I156-K158 PolarHBondContact O-N 3.07Å; I156-F159 PolarHBondContact O-N 3.01Å; I156-I160 HydrophobicContact CG2-CD1 3.63Å; I156-I160 HydrophobicContact CG2-CG1 4.39Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3Å; I156-F193 HydrophobicContact CD1-CE2 4.04Å; I156-F193 HydrophobicContact CD1-CZ 3.75Å; I156-F193 HydrophobicContact CG1-CE2 4.08Å; I156-F193 HydrophobicContact CG1-CZ 4.17Å
157	S	42.7	Very low	45.9	Very low	73 Å²	73	70.3 Å²	70.3	51%	0.51	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-29.2	179.5	54.6	0	0	0	0	113.6	N155 Q161	N155-S157 PolarHBondContact O-N 3.05Å; N155-S157 VanDerWaalsContact O-N 3.14Å; S157-Q161 WeakPolarHBondContact O-CG 3.45Å; S157-Q161 PolarHBondContact O-N 3.02Å; S157-Q161 VanDerWaalsContact O-N 3.11Å
158	K	46	Very low	45.1	Very low	94 Å²	94	70.3 Å²	70.3	41%	0.409	39%	0.385	S	S	.	.	H	α-helix	trans	-80.7	-39.3	176.1	-65.6	177	-177.5	168.5	0	111.6	N155 I156 I160 Q161 I162 P303	N155-K158 WeakPolarHBondContact O-CA 3.04Å; N155-K158 WeakPolarHBondContact O-CB 3.47Å; N155-K158 PolarHBondContact O-N 3.06Å; I156-K158 PolarHBondContact O-N 3.07Å; K158-I160 VanDerWaalsContact C-N 3.27Å; K158-I160 PolarHBondContact O-N 3.03Å; K158-Q161 PolarHBondContact O-N 3.11Å; K158-I162 WeakPolarHBondContact O-CG1 3.39Å; K158-I162 PolarHBondContact O-N 2.82Å; K158-I162 VanDerWaalsContact O-N 3.12Å; K158-P303 HydrophobicContact CD-CG 4.19Å
159	F	44.4	Very low	43.9	Very low	21 Å²	21	78.4 Å²	78.4	9%	0.092	41%	0.412	C	S	.	.	H	α-helix	trans	-58.9	-40.1	170.8	-58.9	-51.4	0	0	0	111.3	N155 I156 I162 I189 L300	N155-F159 HydrophobicContact CB-CD2 4.32Å; N155-F159 HydrophobicContact CB-CE2 3.7Å; N155-F159 HydrophobicContact CB-CZ 4.04Å; N155-F159 VanDerWaalsContact O-CD2 3.29Å; N155-F159 WeakPolarHBondContact O-CD2 3.14Å; N155-F159 PolarHBondContact O-N 3.45Å; N155-F159 VanDerWaalsContact O-N 3.09Å; I156-F159 PolarHBondContact O-N 3.01Å; F159-I162 PolarHBondContact O-N 2.93Å; F159-I189 HydrophobicContact CD1-CD1 3.49Å; F159-I189 VanDerWaalsContact CD1-CD1 3.49Å; F159-I189 HydrophobicContact CD2-CD1 4.5Å; F159-I189 HydrophobicContact CD2-CG2 4.23Å; F159-I189 HydrophobicContact CE1-CD1 3.3Å; F159-I189 HydrophobicContact CE1-CG1 4.11Å; F159-I189 HydrophobicContact CE2-CD1 4.39Å; F159-I189 HydrophobicContact CE2-CG2 3.97Å; F159-I189 HydrophobicContact CG-CD1 4.12Å; F159-I189 HydrophobicContact CZ-CD1 3.82Å; F159-I189 HydrophobicContact CZ-CG1 4.17Å; F159-I189 HydrophobicContact CZ-CG2 4.26Å; F159-L300 HydrophobicContact CD1-CD2 4.25Å; F159-L300 HydrophobicContact CE1-CB 4.01Å; F159-L300 HydrophobicContact CE1-CD1 4.36Å; F159-L300 HydrophobicContact CE1-CD2 3.86Å; F159-L300 HydrophobicContact CE1-CG 4.27Å
160	I	41.6	Very low	42.6	Very low	84 Å²	84	84.9 Å²	84.9	43%	0.431	45%	0.447	S	S	.	.	H	α-helix	trans	-67.9	-38.2	174.4	-68.2	167.8	0	0	0	112.4	I156 K158 I162 N163 H164	I156-I160 HydrophobicContact CG2-CD1 3.63Å; I156-I160 HydrophobicContact CG2-CG1 4.39Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3Å; K158-I160 VanDerWaalsContact C-N 3.27Å; K158-I160 PolarHBondContact O-N 3.03Å; I160-I162 VanDerWaalsContact C-N 3.29Å; I160-I162 PolarHBondContact O-N 2.86Å; I160-N163 PolarHBondContact O-N 3.03Å; I160-H164 PolarHBondContact O-CD2 2.99Å; I160-H164 PolarHBondContact O-N 3.13Å
161	Q	43.2	Very low	41.7	Very low	125 Å²	125	90.2 Å²	90.2	58%	0.584	47%	0.47	S	S	*	.	H	α-helix	trans	-64.5	-31.4	176.4	-81.6	178.3	-17.4	0	0	113.3	S157 K158 H164 N165	S157-Q161 WeakPolarHBondContact O-CG 3.45Å; S157-Q161 PolarHBondContact O-N 3.02Å; S157-Q161 VanDerWaalsContact O-N 3.11Å; K158-Q161 PolarHBondContact O-N 3.11Å; Q161-H164 PolarHBondContact O-N 2.74Å; Q161-N165 PolarHBondContact O-N 2.89Å
162	I	39.5	Very low	40.9	Very low	63 Å²	63	93.6 Å²	93.6	32%	0.323	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-45.7	173.9	-67.5	165.6	0	0	0	110.2	K158 F159 I160 H164 N165 N182 L300	K158-I162 WeakPolarHBondContact O-CG1 3.39Å; K158-I162 PolarHBondContact O-N 2.82Å; K158-I162 VanDerWaalsContact O-N 3.12Å; F159-I162 PolarHBondContact O-N 2.93Å; I160-I162 VanDerWaalsContact C-N 3.29Å; I160-I162 PolarHBondContact O-N 2.86Å; I162-H164 VanDerWaalsContact C-N 3.34Å; I162-H164 PolarHBondContact O-N 2.85Å; I162-N165 PolarHBondContact O-N 3.46Å; I162-N182 WeakPolarHBondContact CG2-OD1 3.4Å; I162-L300 HydrophobicContact CD1-CD2 3.88Å
163	N	33.4	Very low	39.9	Very low	63 Å²	63	101.9 Å²	101.9	34%	0.337	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-37.4	175.7	-76.3	-25.4	0	0	0	113.3	I160 N165 I166 H186	I160-N163 PolarHBondContact O-N 3.03Å; N163-N165 PolarHBondContact O-N 2.76Å; N163-I166 PolarHBondContact O-N 3.23Å; N163-H186 PolarHBondContact ND2-NE2 2.91Å
164	H	37.3	Very low	38.9	Very low	133 Å²	133	99.7 Å²	99.7	62%	0.616	54%	0.541	S	S	*	.	H	α-helix	trans	-70.6	-29.9	-178.5	-85	-70.3	0	0	0	114.4	I160 Q161 I162 I166	I160-H164 PolarHBondContact O-CD2 2.99Å; I160-H164 PolarHBondContact O-N 3.13Å; Q161-H164 PolarHBondContact O-N 2.74Å; I162-H164 VanDerWaalsContact C-N 3.34Å; I162-H164 PolarHBondContact O-N 2.85Å; H164-I166 PolarHBondContact O-N 2.9Å
165	N	38.4	Very low	38.1	Very low	131 Å²	131	100.9 Å²	100.9	70%	0.701	54%	0.537	S	S	*	.	H	α-helix	trans	-70.3	-20.3	178	-76.4	-28.3	0	0	0	113.3	Q161 I162 N163	Q161-N165 PolarHBondContact O-N 2.89Å; I162-N165 PolarHBondContact O-N 3.46Å; N163-N165 PolarHBondContact O-N 2.76Å
166	I	35.3	Very low	37.6	Very low	74 Å²	74	106 Å²	106	38%	0.379	57%	0.569	S	S	.	*	H	α-helix	trans	-77.2	-43.5	-178.4	-60.6	168	0	0	0	110.7	N163 H164 G168 N182	N163-I166 PolarHBondContact O-N 3.23Å; H164-I166 PolarHBondContact O-N 2.9Å; I166-G168 PolarHBondContact O-N 2.85Å; I166-G168 VanDerWaalsContact O-N 3.16Å; I166-N182 HydrophobicContact CD1-CB 4.12Å
167	N	35.4	Very low	37	Very low	135 Å²	135	107 Å²	107	72%	0.722	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	0.7	-177.6	-66.3	-21.4	0	0	0	114.3
168	G	38.2	Very low	36.6	Very low	63 Å²	63	108 Å²	108	65%	0.649	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-7.4	-175.4	0	0	0	0	0	115.9	I166	I166-G168 PolarHBondContact O-N 2.85Å; I166-G168 VanDerWaalsContact O-N 3.16Å
169	R	32.1	Very low	35.8	Very low	212 Å²	212	106.7 Å²	106.7	80%	0.8	59%	0.586	S	S	*	*			trans	-119.5	89.9	-177.9	-82.2	-176.8	167.2	165.5	-3.8	111.7
170	N	29.9	Very low	35.2	Very low	141 Å²	141	113.2 Å²	113.2	75%	0.754	62%	0.615	S	S	*	*			trans	-78.1	150.8	163.7	-65.9	-40.8	0	0	0	110.4
171	N	33.1	Very low	34.8	Very low	137 Å²	137	114 Å²	114	73%	0.733	61%	0.613	S	S	*	*			trans	78.5	155.7	175	-47.1	-15.2	0	0	0	115.9
172	D	34.7	Very low	34.6	Very low	135 Å²	135	109.8 Å²	109.8	72%	0.722	59%	0.594	S	S	*	*			trans	78.8	53.6	172.9	-53.8	-7.3	0	0	0	117.9	A174	D172-A174 VanDerWaalsContact C-N 3.29Å; D172-A174 PolarHBondContact O-N 3.36Å
173	D	33.5	Very low	34.6	Very low	178 Å²	178	110.2 Å²	110.2	95%	0.952	60%	0.603	S	S	*	*	S	Bend	trans	47.5	4.8	130.6	-68.2	6.3	0	0	0	123.2
174	A	33.7	Very low	34.9	Very low	80 Å²	80	111.5 Å²	111.5	66%	0.661	61%	0.609	S	S	*	*			trans	-110.9	-9.4	-177.5	0	0	0	0	0	115.4	D172 V176	D172-A174 VanDerWaalsContact C-N 3.29Å; D172-A174 PolarHBondContact O-N 3.36Å; A174-V176 PolarHBondContact O-N 2.88Å; A174-V176 VanDerWaalsContact O-N 3.17Å
175	I	34.1	Very low	35.3	Very low	94 Å²	94	106.6 Å²	106.6	48%	0.482	59%	0.589	S	S	.	*			trans	-98.4	50.4	-152.7	-37.4	179.8	0	0	0	113.5	D178	I175-D178 HydrophobicContact CG2-CB 4.26Å
176	V	35.8	Very low	35.8	Very low	122 Å²	122	103.3 Å²	103.3	74%	0.739	57%	0.569	S	S	*	*	S	Bend	trans	-83.6	-32.9	180	-174.5	0	0	0	0	114.7	A174	A174-V176 PolarHBondContact O-N 2.88Å; A174-V176 VanDerWaalsContact O-N 3.17Å
177	P	35	Very low	36.7	Very low	89 Å²	89	104.9 Å²	104.9	58%	0.578	58%	0.575	S	S	*	*	S	Bend	trans	-72.4	-45	-179.2	-21.1	34.1	0	0	0	114.7	A179 K180 Y181	P177-A179 VanDerWaalsContact C-N 3.34Å; P177-A179 PolarHBondContact O-N 3.45Å; P177-K180 PolarHBondContact O-N 3.46Å; P177-K180 VanDerWaalsContact O-N 3.11Å; P177-Y181 PolarHBondContact O-N 3.04Å
178	D	34	Very low	37.6	Very low	94 Å²	94	99.9 Å²	99.9	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-34.3	-164.1	-69	-36.2	0	0	0	113.7	I175 K180 Y181 N182	I175-D178 HydrophobicContact CG2-CB 4.26Å; D178-K180 VanDerWaalsContact C-N 3.27Å; D178-K180 PolarHBondContact O-N 2.99Å; D178-Y181 PolarHBondContact O-N 3.02Å; D178-N182 PolarHBondContact O-N 3.29Å; D178-N182 PolarHBondContact O-ND2 3.35Å
179	A	30.4	Very low	38.5	Very low	67 Å²	67	98 Å²	98	55%	0.554	52%	0.522	S	S	*	.	H	α-helix	trans	-63.2	-32.3	178.4	0	0	0	0	0	112.9	P177	P177-A179 VanDerWaalsContact C-N 3.34Å; P177-A179 PolarHBondContact O-N 3.45Å
180	K	31.1	Very low	39.9	Very low	158 Å²	158	92.6 Å²	92.6	69%	0.687	51%	0.506	S	S	*	.	H	α-helix	trans	-79.5	-33.5	173.3	-82.5	-173.2	172.1	-175.7	0	112.8	P177 D178 N182 S183 I184	P177-K180 PolarHBondContact O-N 3.46Å; P177-K180 VanDerWaalsContact O-N 3.11Å; D178-K180 VanDerWaalsContact C-N 3.27Å; D178-K180 PolarHBondContact O-N 2.99Å; K180-N182 VanDerWaalsContact C-N 3.27Å; K180-N182 PolarHBondContact O-N 3.43Å; K180-S183 PolarHBondContact O-N 2.87Å; K180-S183 PolarHBondContact O-OG 3.26Å; K180-I184 WeakPolarHBondContact O-CG1 3.43Å; K180-I184 PolarHBondContact O-N 3.4Å
181	Y	33.3	Very low	41.6	Very low	101 Å²	101	89.2 Å²	89.2	40%	0.396	49%	0.485	S	S	.	.	H	α-helix	trans	-61.9	-39.8	-179.6	-135.4	-94.9	0	0	0	111.2	P177 D178 S185 Q291	P177-Y181 PolarHBondContact O-N 3.04Å; D178-Y181 PolarHBondContact O-N 3.02Å; Y181-S185 PolarHBondContact O-N 2.77Å; Y181-S185 PolarHBondContact O-OG 3.45Å; Y181-S185 VanDerWaalsContact O-OG 3.13Å; Y181-Q291 PolarHBondContact OH-O 3.23Å
182	N	38.5	Very low	42.9	Very low	36 Å²	36	83 Å²	83	19%	0.193	45%	0.452	C	S	.	.	H	α-helix	trans	-71.5	-36.4	-178.1	-74.4	-75.5	0	0	0	114.1	I162 I166 D178 K180 S185 H186	I162-N182 WeakPolarHBondContact CG2-OD1 3.4Å; I166-N182 HydrophobicContact CD1-CB 4.12Å; D178-N182 PolarHBondContact O-N 3.29Å; D178-N182 PolarHBondContact O-ND2 3.35Å; K180-N182 VanDerWaalsContact C-N 3.27Å; K180-N182 PolarHBondContact O-N 3.43Å; N182-S185 WeakPolarHBondContact CA-OG 3.42Å; N182-S185 PolarHBondContact O-OG 2.8Å; N182-H186 PolarHBondContact O-N 2.48Å
183	S	40.4	Very low	44.2	Very low	71 Å²	71	78.5 Å²	78.5	50%	0.497	43%	0.426	S	S	.	.	H	α-helix	trans	-70.7	-36.5	179.2	60.4	0	0	0	0	113	K180 H186 H187	K180-S183 PolarHBondContact O-N 2.87Å; K180-S183 PolarHBondContact O-OG 3.26Å; S183-H186 PolarHBondContact O-N 2.87Å; S183-H187 PolarHBondContact O-N 3.31Å
184	I	38.8	Very low	45.8	Very low	91 Å²	91	74.2 Å²	74.2	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-43.6	175.6	-64.2	168.2	0	0	0	110.5	K180 H187 F188 L292	K180-I184 WeakPolarHBondContact O-CG1 3.43Å; K180-I184 PolarHBondContact O-N 3.4Å; I184-H187 PolarHBondContact O-N 3.07Å; I184-F188 PolarHBondContact O-N 3.26Å; I184-F188 VanDerWaalsContact O-N 3.14Å; I184-L292 HydrophobicContact CG2-CD1 4.38Å; I184-L292 HydrophobicContact CG2-CD2 4.31Å
185	S	45.6	Very low	47.3	Very low	30 Å²	30	71.9 Å²	71.9	21%	0.21	38%	0.379	C	S	.	.	H	α-helix	trans	-65	-40.8	174.8	44.8	0	0	0	0	112.8	Y181 N182 H187 F188 I189	Y181-S185 PolarHBondContact O-N 2.77Å; Y181-S185 PolarHBondContact O-OG 3.45Å; Y181-S185 VanDerWaalsContact O-OG 3.13Å; N182-S185 WeakPolarHBondContact CA-OG 3.42Å; N182-S185 PolarHBondContact O-OG 2.8Å; S185-H187 PolarHBondContact O-N 2.91Å; S185-F188 PolarHBondContact O-N 2.87Å; S185-I189 VanDerWaalsContact O-CD1 3.26Å; S185-I189 WeakPolarHBondContact O-CD1 3.49Å; S185-I189 VanDerWaalsContact O-CG1 3.24Å; S185-I189 WeakPolarHBondContact O-CG1 3.44Å; S185-I189 PolarHBondContact O-N 2.77Å
186	H	48.5	Very low	48.6	Very low	61 Å²	61	67.4 Å²	67.4	28%	0.282	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-49.5	176.4	-126.5	-85.4	0	0	0	111.2	N163 N182 S183 F188 I189 E190	N163-H186 PolarHBondContact ND2-NE2 2.91Å; N182-H186 PolarHBondContact O-N 2.48Å; S183-H186 PolarHBondContact O-N 2.87Å; H186-F188 VanDerWaalsContact C-N 3.32Å; H186-F188 PolarHBondContact O-N 3.24Å; H186-I189 PolarHBondContact O-N 3.03Å; H186-I189 VanDerWaalsContact O-N 3.14Å; H186-E190 IonicContact CE1-OE1 3.79Å; H186-E190 IonicContact ND1-OE1 3.6Å; H186-E190 PolarHBondContact ND1-OE1 2.91Å; H186-E190 WeakPolarHBondContact O-CG 3.35Å; H186-E190 PolarHBondContact O-N 2.82Å
187	H	55.1	Low	49.9	Very low	108 Å²	108	65.5 Å²	65.5	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-36.9	-179.5	-169.7	54.2	0	0	0	112.9	S183 I184 S185 Q191	S183-H187 PolarHBondContact O-N 3.31Å; I184-H187 PolarHBondContact O-N 3.07Å; S185-H187 PolarHBondContact O-N 2.91Å; H187-Q191 PolarHBondContact CD2-NE2 3.43Å; H187-Q191 VanDerWaalsContact CD2-NE2 3.32Å; H187-Q191 PolarHBondContact NE2-NE2 2.96Å; H187-Q191 WeakPolarHBondContact O-CG 3.43Å; H187-Q191 PolarHBondContact O-N 2.9Å
188	F	54.2	Low	51.3	Low	30 Å²	30	65.6 Å²	65.6	13%	0.132	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-38.6	175	-174.9	-95.9	0	0	0	112.6	I184 S185 H186 L192 L219 I297	I184-F188 PolarHBondContact O-N 3.26Å; I184-F188 VanDerWaalsContact O-N 3.14Å; S185-F188 PolarHBondContact O-N 2.87Å; H186-F188 VanDerWaalsContact C-N 3.32Å; H186-F188 PolarHBondContact O-N 3.24Å; F188-L192 HydrophobicContact CD1-CD1 3.94Å; F188-L192 HydrophobicContact CE1-CD1 3.52Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CZ-CD1 4.21Å; F188-L192 WeakPolarHBondContact O-CG 3.21Å; F188-L192 PolarHBondContact O-N 3.47Å; F188-L219 HydrophobicContact CD2-CD2 4.08Å; F188-L219 HydrophobicContact CD2-CG 4.3Å; F188-L219 HydrophobicContact CE2-CB 4.35Å; F188-L219 HydrophobicContact CE2-CD2 3.86Å; F188-L219 HydrophobicContact CE2-CG 3.78Å; F188-L219 WeakPolarHBondContact CE2-O 3.39Å; F188-L219 HydrophobicContact CZ-CD2 4.36Å; F188-L219 HydrophobicContact CZ-CG 4.46Å; F188-I297 HydrophobicContact CD1-CD1 4.4Å; F188-I297 HydrophobicContact CE1-CD1 3.75Å; F188-I297 HydrophobicContact CE1-CG1 4.15Å; F188-I297 HydrophobicContact CE1-CG2 4.15Å; F188-I297 HydrophobicContact CZ-CD1 3.84Å
189	I	56.4	Low	52.5	Low	22 Å²	22	61.1 Å²	61.1	11%	0.113	31%	0.307	C	S	.	.	H	α-helix	trans	-69.4	-40.8	176.5	-65.2	156	0	0	0	110.7	F159 S185 H186 L192 F193	F159-I189 HydrophobicContact CD1-CD1 3.49Å; F159-I189 VanDerWaalsContact CD1-CD1 3.49Å; F159-I189 HydrophobicContact CD2-CD1 4.5Å; F159-I189 HydrophobicContact CD2-CG2 4.23Å; F159-I189 HydrophobicContact CE1-CD1 3.3Å; F159-I189 HydrophobicContact CE1-CG1 4.11Å; F159-I189 HydrophobicContact CE2-CD1 4.39Å; F159-I189 HydrophobicContact CE2-CG2 3.97Å; F159-I189 HydrophobicContact CG-CD1 4.12Å; F159-I189 HydrophobicContact CZ-CD1 3.82Å; F159-I189 HydrophobicContact CZ-CG1 4.17Å; F159-I189 HydrophobicContact CZ-CG2 4.26Å; S185-I189 VanDerWaalsContact O-CD1 3.26Å; S185-I189 WeakPolarHBondContact O-CD1 3.49Å; S185-I189 VanDerWaalsContact O-CG1 3.24Å; S185-I189 WeakPolarHBondContact O-CG1 3.44Å; S185-I189 PolarHBondContact O-N 2.77Å; H186-I189 PolarHBondContact O-N 3.03Å; H186-I189 VanDerWaalsContact O-N 3.14Å; I189-L192 PolarHBondContact O-N 2.81Å; I189-F193 HydrophobicContact CG2-CD2 4.27Å; I189-F193 PolarHBondContact O-N 2.86Å
190	E	62.1	Low	53.7	Low	100 Å²	100	59.1 Å²	59.1	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-48	173.6	-75	164.2	-172.7	0	0	111	H186 L192 F193 D194	H186-E190 IonicContact CE1-OE1 3.79Å; H186-E190 IonicContact ND1-OE1 3.6Å; H186-E190 PolarHBondContact ND1-OE1 2.91Å; H186-E190 WeakPolarHBondContact O-CG 3.35Å; H186-E190 PolarHBondContact O-N 2.82Å; E190-L192 PolarHBondContact O-N 2.85Å; E190-F193 WeakPolarHBondContact O-CB 3.24Å; E190-F193 PolarHBondContact O-N 3.08Å; E190-F193 VanDerWaalsContact O-N 3.13Å; E190-D194 WeakPolarHBondContact O-CB 3.43Å; E190-D194 PolarHBondContact O-N 2.81Å
191	Q	64.5	Low	54.8	Low	69 Å²	69	56.5 Å²	56.5	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-42.8	174.7	-74.5	-178.2	20.8	0	0	112.7	H187 F193 D194 M195 L219	H187-Q191 PolarHBondContact CD2-NE2 3.43Å; H187-Q191 VanDerWaalsContact CD2-NE2 3.32Å; H187-Q191 PolarHBondContact NE2-NE2 2.96Å; H187-Q191 WeakPolarHBondContact O-CG 3.43Å; H187-Q191 PolarHBondContact O-N 2.9Å; Q191-F193 VanDerWaalsContact C-N 3.35Å; Q191-D194 PolarHBondContact O-N 2.85Å; Q191-M195 VanDerWaalsContact O-CB 3.28Å; Q191-M195 WeakPolarHBondContact O-CB 3.46Å; Q191-M195 WeakPolarHBondContact O-CG 3.26Å; Q191-M195 PolarHBondContact O-N 3.21Å; Q191-L219 HydrophobicContact CB-CD2 3.96Å
192	L	61.3	Low	55.9	Low	8 Å²	8	57.5 Å²	57.5	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-37.1	175.4	-76.2	175.3	0	0	0	112.6	L152 F188 I189 E190 S196 I216 L219	L152-L192 HydrophobicContact CD1-CB 4.08Å; F188-L192 HydrophobicContact CD1-CD1 3.94Å; F188-L192 HydrophobicContact CE1-CD1 3.52Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CZ-CD1 4.21Å; F188-L192 WeakPolarHBondContact O-CG 3.21Å; F188-L192 PolarHBondContact O-N 3.47Å; I189-L192 PolarHBondContact O-N 2.81Å; E190-L192 PolarHBondContact O-N 2.85Å; L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 2.81Å; L192-S196 PolarHBondContact O-OG 2.8Å; L192-I216 HydrophobicContact CD2-CG2 4.24Å; L192-L219 HydrophobicContact CD2-CB 4.5Å; L192-L219 HydrophobicContact CD2-CD2 3.84Å; L192-L219 HydrophobicContact CG-CD2 3.93Å
193	F	62.2	Low	56.6	Low	40 Å²	40	57 Å²	57	18%	0.175	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-56.1	172.4	-110	-64.5	0	0	0	111	Q149 L152 R153 I156 I189 E190 Q191 M195 S196 E197	Q149-F193 HydrophobicContact CG-CD1 4.22Å; Q149-F193 HydrophobicContact CG-CE1 3.92Å; L152-F193 HydrophobicContact CB-CD2 4.01Å; L152-F193 HydrophobicContact CB-CE1 4.06Å; L152-F193 HydrophobicContact CB-CE2 3.52Å; L152-F193 HydrophobicContact CB-CG 4.49Å; L152-F193 HydrophobicContact CB-CZ 3.53Å; L152-F193 HydrophobicContact CD1-CD1 4.47Å; L152-F193 HydrophobicContact CD1-CD2 4.28Å; L152-F193 HydrophobicContact CD1-CG 4.21Å; R153-F193 HydrophobicContact CB-CZ 4.42Å; R153-F193 HydrophobicContact CG-CE1 3.78Å; R153-F193 HydrophobicContact CG-CZ 3.69Å; I156-F193 HydrophobicContact CD1-CE2 4.04Å; I156-F193 HydrophobicContact CD1-CZ 3.75Å; I156-F193 HydrophobicContact CG1-CE2 4.08Å; I156-F193 HydrophobicContact CG1-CZ 4.17Å; I189-F193 HydrophobicContact CG2-CD2 4.27Å; I189-F193 PolarHBondContact O-N 2.86Å; E190-F193 WeakPolarHBondContact O-CB 3.24Å; E190-F193 PolarHBondContact O-N 3.08Å; E190-F193 VanDerWaalsContact O-N 3.13Å; Q191-F193 VanDerWaalsContact C-N 3.35Å; F193-M195 VanDerWaalsContact C-N 3.26Å; F193-M195 PolarHBondContact O-N 2.92Å; F193-S196 PolarHBondContact O-N 2.79Å; F193-S196 VanDerWaalsContact O-N 3.07Å; F193-S196 PolarHBondContact O-OG 2.83Å; F193-E197 PolarHBondContact O-N 2.84Å
194	D	67.4	Low	57	Low	87 Å²	87	57.3 Å²	57.3	47%	0.465	31%	0.306	S	S	.	.	H	α-helix	trans	-53.2	-43.6	179.5	-122.3	52	0	0	0	111.9	E190 Q191 E197 K198	E190-D194 WeakPolarHBondContact O-CB 3.43Å; E190-D194 PolarHBondContact O-N 2.81Å; Q191-D194 PolarHBondContact O-N 2.85Å; D194-E197 PolarHBondContact O-N 3.48Å; D194-K198 WeakPolarHBondContact O-CB 3.45Å; D194-K198 WeakPolarHBondContact O-CD 3.26Å; D194-K198 VanDerWaalsContact O-CG 3.3Å; D194-K198 WeakPolarHBondContact O-CG 3.3Å; D194-K198 PolarHBondContact O-N 3.01Å; D194-K198 IonicContact OD2-NZ 2.86Å; D194-K198 PolarHBondContact OD2-NZ 2.84Å
195	M	65.5	Low	57.7	Low	32 Å²	32	55.1 Å²	55.1	16%	0.158	30%	0.298	C	S	.	.	H	α-helix	trans	-73.1	-37.9	179.2	-70.1	167.5	55.7	0	0	111.9	Q191 F193 E197 G199 L212 R215 I216 L219	Q191-M195 VanDerWaalsContact O-CB 3.28Å; Q191-M195 WeakPolarHBondContact O-CB 3.46Å; Q191-M195 WeakPolarHBondContact O-CG 3.26Å; Q191-M195 PolarHBondContact O-N 3.21Å; F193-M195 VanDerWaalsContact C-N 3.26Å; F193-M195 PolarHBondContact O-N 2.92Å; M195-E197 VanDerWaalsContact C-N 3.31Å; M195-E197 PolarHBondContact O-N 3.11Å; M195-G199 PolarHBondContact O-N 3.45Å; M195-L212 WeakPolarHBondContact O-CD2 3.5Å; M195-R215 VanDerWaalsContact CE-C 3.44Å; M195-R215 HydrophobicContact CE-CB 3.59Å; M195-I216 HydrophobicContact CB-CD1 4.4Å; M195-I216 HydrophobicContact CB-CG1 4.03Å; M195-I216 HydrophobicContact CE-CB 4.34Å; M195-I216 HydrophobicContact CE-CG1 3.68Å; M195-L219 HydrophobicContact CE-CD1 4.47Å; M195-L219 HydrophobicContact SD-CD1 4.28Å; M195-L219 HydrophobicContact SD-CD2 4.21Å
196	S	60.8	Low	57.8	Low	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-36.4	172.8	73.8	0	0	0	0	112.5	L192 F193 G199 L200	L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 2.81Å; L192-S196 PolarHBondContact O-OG 2.8Å; F193-S196 PolarHBondContact O-N 2.79Å; F193-S196 VanDerWaalsContact O-N 3.07Å; F193-S196 PolarHBondContact O-OG 2.83Å; S196-G199 PolarHBondContact O-N 3.09Å; S196-L200 WeakPolarHBondContact O-CB 3.31Å; S196-L200 PolarHBondContact O-N 3.11Å
197	E	63.5	Low	58	Low	81 Å²	81	57.5 Å²	57.5	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-74.3	-42.7	-178.7	-162.9	148.2	155.5	0	0	111.4	Q149 F193 D194 M195 G199 L200 N201	Q149-E197 PolarHBondContact NE2-OE2 2.98Å; F193-E197 PolarHBondContact O-N 2.84Å; D194-E197 PolarHBondContact O-N 3.48Å; M195-E197 VanDerWaalsContact C-N 3.31Å; M195-E197 PolarHBondContact O-N 3.11Å; E197-G199 PolarHBondContact O-N 2.68Å; E197-L200 PolarHBondContact O-N 2.86Å; E197-L200 VanDerWaalsContact O-N 3.1Å; E197-N201 WeakPolarHBondContact CG-ND2 3.19Å; E197-N201 WeakPolarHBondContact O-CB 3.27Å; E197-N201 PolarHBondContact O-N 2.93Å
198	K	64.7	Low	58	Low	92 Å²	92	54.3 Å²	54.3	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-31.7	170	-73.5	160.7	-176.6	160.9	0	112.5	D194 L200 D202 C203 L212	D194-K198 WeakPolarHBondContact O-CB 3.45Å; D194-K198 WeakPolarHBondContact O-CD 3.26Å; D194-K198 VanDerWaalsContact O-CG 3.3Å; D194-K198 WeakPolarHBondContact O-CG 3.3Å; D194-K198 PolarHBondContact O-N 3.01Å; D194-K198 IonicContact OD2-NZ 2.86Å; D194-K198 PolarHBondContact OD2-NZ 2.84Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 2.7Å; K198-D202 PolarHBondContact O-N 2.71Å; K198-D202 VanDerWaalsContact O-N 3.17Å; K198-C203 PolarHBondContact O-N 2.94Å; K198-C203 PolarHBondContact O-SG 3.09Å; K198-L212 HydrophobicContact CB-CD1 3.78Å
199	G	58	Low	57.9	Low	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.8	-20.1	174.7	0	0	0	0	0	115	M195 S196 E197 Q209 L212	M195-G199 PolarHBondContact O-N 3.45Å; S196-G199 PolarHBondContact O-N 3.09Å; E197-G199 PolarHBondContact O-N 2.68Å; G199-Q209 PolarHBondContact O-NE2 2.97Å; G199-L212 VanDerWaalsContact CA-CD2 3.47Å
200	L	56.2	Low	57.8	Low	24 Å²	24	56.6 Å²	56.6	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-104.6	-36.4	-176.1	-164.8	150.1	0	0	0	112.4	Y124 C145 S196 E197 K198	Y124-L200 HydrophobicContact CD1-CD1 4.1Å; Y124-L200 HydrophobicContact CD1-CD2 3.83Å; Y124-L200 HydrophobicContact CE1-CD1 3.69Å; Y124-L200 HydrophobicContact CE1-CD2 3.77Å; Y124-L200 HydrophobicContact CE1-CG 4.39Å; Y124-L200 HydrophobicContact CE2-CD1 4.35Å; C145-L200 HydrophobicContact CB-CB 4.15Å; S196-L200 WeakPolarHBondContact O-CB 3.31Å; S196-L200 PolarHBondContact O-N 3.11Å; E197-L200 PolarHBondContact O-N 2.86Å; E197-L200 VanDerWaalsContact O-N 3.1Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 2.7Å
201	N	54.5	Low	57.8	Low	104 Å²	104	56.6 Å²	56.6	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-104.4	-36.3	-174.4	-65.8	-28.8	0	0	0	114.7	E197	E197-N201 WeakPolarHBondContact CG-ND2 3.19Å; E197-N201 WeakPolarHBondContact O-CB 3.27Å; E197-N201 PolarHBondContact O-N 2.93Å
202	D	55.3	Low	57.6	Low	121 Å²	121	54.3 Å²	54.3	65%	0.647	30%	0.304	S	S	*	.	S	Bend	trans	-108.7	-1.1	-164.7	-71.2	-41.9	0	0	0	115.2	K198 G204	K198-D202 PolarHBondContact O-N 2.71Å; K198-D202 VanDerWaalsContact O-N 3.17Å; D202-G204 PolarHBondContact O-N 3.09Å
203	C	54.2	Low	57.3	Low	26 Å²	26	55.4 Å²	55.4	18%	0.176	31%	0.31	C	S	.	.			trans	-81.7	79.3	-173.3	-77	0	0	0	0	113.8	K198 S205 Q209	K198-C203 PolarHBondContact O-N 2.94Å; K198-C203 PolarHBondContact O-SG 3.09Å; C203-S205 PolarHBondContact O-N 2.76Å; C203-Q209 HydrophobicContact CB-CB 3.99Å; C203-Q209 HydrophobicContact CB-CG 3.81Å
204	G	48.2	Very low	57.2	Low	78 Å²	78	58.7 Å²	58.7	80%	0.804	33%	0.326	S	S	*	.			trans	-67.3	7.7	177.1	0	0	0	0	0	117	D202	D202-G204 PolarHBondContact O-N 3.09Å
205	S	53.3	Low	56.9	Low	45 Å²	45	62.9 Å²	62.9	32%	0.315	34%	0.335	S	S	.	.	S	Bend	trans	-161.1	153.5	174.1	64.6	0	0	0	0	112.4	C203 D207 S208 Q209	C203-S205 PolarHBondContact O-N 2.76Å; S205-D207 PolarHBondContact O-N 3.03Å; S205-S208 PolarHBondContact N-OG 3.13Å; S205-S208 VanDerWaalsContact N-OG 3.08Å; S205-S208 PolarHBondContact O-N 3.4Å; S205-S208 VanDerWaalsContact O-N 3.11Å; S205-S208 PolarHBondContact O-OG 2.86Å; S205-S208 WeakPolarHBondContact OG-CB 3.18Å; S205-S208 PolarHBondContact OG-N 3.16Å; S205-S208 PolarHBondContact OG-OG 2.73Å; S205-Q209 PolarHBondContact O-N 3.29Å; S205-Q209 VanDerWaalsContact O-N 3.08Å
206	V	48.1	Very low	56.6	Low	48 Å²	48	62.1 Å²	62.1	29%	0.291	33%	0.331	S	S	.	.	H	α-helix	trans	-55.1	-40.1	171.2	179.8	0	0	0	0	110.5	Q138 S208 Q209 N210	Q138-V206 HydrophobicContact CG-CG2 3.88Å; V206-S208 PolarHBondContact O-N 2.69Å; V206-Q209 PolarHBondContact O-N 3.41Å; V206-Q209 VanDerWaalsContact O-N 3.14Å; V206-N210 WeakPolarHBondContact O-CB 3.34Å; V206-N210 PolarHBondContact O-N 3.31Å
207	D	52.9	Low	56.2	Low	92 Å²	92	66.2 Å²	66.2	49%	0.492	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-42.2	177.2	-144.7	-1.8	0	0	0	113	S205 K211	S205-D207 PolarHBondContact O-N 3.03Å; D207-K211 WeakPolarHBondContact O-CB 3.21Å; D207-K211 WeakPolarHBondContact O-CD 3.29Å; D207-K211 VanDerWaalsContact O-CG 3.24Å; D207-K211 WeakPolarHBondContact O-CG 3.31Å; D207-K211 PolarHBondContact O-N 3.22Å; D207-K211 IonicContact OD1-NZ 2.7Å; D207-K211 PolarHBondContact OD1-NZ 3.38Å; D207-K211 IonicContact OD2-NZ 2.61Å; D207-K211 PolarHBondContact OD2-NZ 2.63Å
208	S	54.6	Low	55.9	Low	41 Å²	41	66.7 Å²	66.7	29%	0.287	36%	0.356	S	S	.	.	H	α-helix	trans	-70.7	-36.1	174	51.1	0	0	0	0	112.9	S205 V206 L212	S205-S208 PolarHBondContact N-OG 3.13Å; S205-S208 VanDerWaalsContact N-OG 3.08Å; S205-S208 PolarHBondContact O-N 3.4Å; S205-S208 VanDerWaalsContact O-N 3.11Å; S205-S208 PolarHBondContact O-OG 2.86Å; S205-S208 WeakPolarHBondContact OG-CB 3.18Å; S205-S208 PolarHBondContact OG-N 3.16Å; S205-S208 PolarHBondContact OG-OG 2.73Å; V206-S208 PolarHBondContact O-N 2.69Å; S208-L212 WeakPolarHBondContact O-CB 3.32Å; S208-L212 PolarHBondContact O-N 2.87Å
209	Q	53.3	Low	55.5	Low	9 Å²	9	63.6 Å²	63.6	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-73.6	-40.4	-178.1	-144.7	167.4	20.5	0	0	111.3	A141 G199 C203 S205 V206 L212 I213	A141-Q209 HydrophobicContact CB-CG 3.85Å; G199-Q209 PolarHBondContact O-NE2 2.97Å; C203-Q209 HydrophobicContact CB-CB 3.99Å; C203-Q209 HydrophobicContact CB-CG 3.81Å; S205-Q209 PolarHBondContact O-N 3.29Å; S205-Q209 VanDerWaalsContact O-N 3.08Å; V206-Q209 PolarHBondContact O-N 3.41Å; V206-Q209 VanDerWaalsContact O-N 3.14Å; Q209-L212 PolarHBondContact O-N 3.14Å; Q209-L212 VanDerWaalsContact O-N 3.17Å; Q209-I213 WeakPolarHBondContact O-CG1 3.49Å; Q209-I213 PolarHBondContact O-N 3.01Å
210	N	52.8	Low	55.2	Low	92 Å²	92	65.8 Å²	65.8	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-46.1	172.4	-77.8	-15.9	0	0	0	111.8	V206 L212 I213 E214	V206-N210 WeakPolarHBondContact O-CB 3.34Å; V206-N210 PolarHBondContact O-N 3.31Å; N210-L212 PolarHBondContact O-N 3.06Å; N210-I213 PolarHBondContact O-N 3.09Å; N210-E214 VanDerWaalsContact O-CB 3.31Å; N210-E214 WeakPolarHBondContact O-CB 3.48Å; N210-E214 PolarHBondContact O-N 3.46Å
211	K	62.6	Low	54.7	Low	99 Å²	99	67.4 Å²	67.4	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-30.4	174.6	-72.6	167.6	-179.2	118.3	0	112.6	D207 R215	D207-K211 WeakPolarHBondContact O-CB 3.21Å; D207-K211 WeakPolarHBondContact O-CD 3.29Å; D207-K211 VanDerWaalsContact O-CG 3.24Å; D207-K211 WeakPolarHBondContact O-CG 3.31Å; D207-K211 PolarHBondContact O-N 3.22Å; D207-K211 IonicContact OD1-NZ 2.7Å; D207-K211 PolarHBondContact OD1-NZ 3.38Å; D207-K211 IonicContact OD2-NZ 2.61Å; D207-K211 PolarHBondContact OD2-NZ 2.63Å; K211-R215 VanDerWaalsContact O-CG 3.23Å; K211-R215 WeakPolarHBondContact O-CG 3.37Å; K211-R215 PolarHBondContact O-N 3.26Å
212	L	59.8	Low	54.3	Low	22 Å²	22	66.3 Å²	66.3	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-76.7	-41.8	176.3	179.9	143.2	0	0	0	112	M195 K198 G199 S208 Q209 N210 E214 R215 I216	M195-L212 WeakPolarHBondContact O-CD2 3.5Å; K198-L212 HydrophobicContact CB-CD1 3.78Å; G199-L212 VanDerWaalsContact CA-CD2 3.47Å; S208-L212 WeakPolarHBondContact O-CB 3.32Å; S208-L212 PolarHBondContact O-N 2.87Å; Q209-L212 PolarHBondContact O-N 3.14Å; Q209-L212 VanDerWaalsContact O-N 3.17Å; N210-L212 PolarHBondContact O-N 3.06Å; L212-E214 VanDerWaalsContact C-N 3.35Å; L212-R215 WeakPolarHBondContact O-CB 3.46Å; L212-R215 PolarHBondContact O-N 2.68Å; L212-I216 HydrophobicContact CD2-CD1 3.7Å; L212-I216 WeakPolarHBondContact O-CG1 3.46Å; L212-I216 PolarHBondContact O-N 2.77Å
213	I	56	Low	53.6	Low	30 Å²	30	60.7 Å²	60.7	15%	0.154	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-43.4	172.1	-68.9	165.1	0	0	0	110.5	A141 Q209 N210 R215 I216 Q217	A141-I213 HydrophobicContact CB-CD1 4.07Å; Q209-I213 WeakPolarHBondContact O-CG1 3.49Å; Q209-I213 PolarHBondContact O-N 3.01Å; N210-I213 PolarHBondContact O-N 3.09Å; I213-R215 VanDerWaalsContact C-N 3.31Å; I213-R215 PolarHBondContact O-N 3.18Å; I213-I216 PolarHBondContact O-N 3.01Å; I213-I216 VanDerWaalsContact O-N 3.16Å; I213-Q217 WeakPolarHBondContact O-CG 3.01Å; I213-Q217 PolarHBondContact O-N 3.38Å
214	E	58.6	Low	52.7	Low	110 Å²	110	62.2 Å²	62.2	51%	0.514	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-39.1	173.4	179.2	177.4	-142.7	0	0	111.7	N210 L212 N218	N210-E214 VanDerWaalsContact O-CB 3.31Å; N210-E214 WeakPolarHBondContact O-CB 3.48Å; N210-E214 PolarHBondContact O-N 3.46Å; L212-E214 VanDerWaalsContact C-N 3.35Å; E214-N218 WeakPolarHBondContact CG-ND2 3.49Å; E214-N218 WeakPolarHBondContact O-CB 3.36Å; E214-N218 PolarHBondContact O-N 2.8Å; E214-N218 PolarHBondContact O-ND2 3.41Å
215	R	62.6	Low	51.8	Low	174 Å²	174	66.1 Å²	66.1	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-66.2	-41.3	172.2	-75.9	169.4	175.8	-171.6	-1	112.6	M195 K211 L212 I213 N218 L219	M195-R215 VanDerWaalsContact CE-C 3.44Å; M195-R215 HydrophobicContact CE-CB 3.59Å; K211-R215 VanDerWaalsContact O-CG 3.23Å; K211-R215 WeakPolarHBondContact O-CG 3.37Å; K211-R215 PolarHBondContact O-N 3.26Å; L212-R215 WeakPolarHBondContact O-CB 3.46Å; L212-R215 PolarHBondContact O-N 2.68Å; I213-R215 VanDerWaalsContact C-N 3.31Å; I213-R215 PolarHBondContact O-N 3.18Å; R215-N218 PolarHBondContact O-N 3.47Å; R215-L219 PolarHBondContact O-N 3.02Å
216	I	58.2	Low	50.8	Low	16 Å²	16	65.8 Å²	65.8	8%	0.082	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-46.2	175.6	-68.9	168.1	0	0	0	110.1	L148 L192 M195 L212 I213 N218 L219 I220	L148-I216 HydrophobicContact CD2-CD1 4.43Å; L148-I216 HydrophobicContact CD2-CG2 4.35Å; L192-I216 HydrophobicContact CD2-CG2 4.24Å; M195-I216 HydrophobicContact CB-CD1 4.4Å; M195-I216 HydrophobicContact CB-CG1 4.03Å; M195-I216 HydrophobicContact CE-CB 4.34Å; M195-I216 HydrophobicContact CE-CG1 3.68Å; L212-I216 HydrophobicContact CD2-CD1 3.7Å; L212-I216 WeakPolarHBondContact O-CG1 3.46Å; L212-I216 PolarHBondContact O-N 2.77Å; I213-I216 PolarHBondContact O-N 3.01Å; I213-I216 VanDerWaalsContact O-N 3.16Å; I216-N218 PolarHBondContact O-N 2.86Å; I216-L219 WeakPolarHBondContact O-CB 3.36Å; I216-L219 PolarHBondContact O-N 3.17Å; I216-I220 HydrophobicContact CG2-CD1 3.93Å; I216-I220 WeakPolarHBondContact O-CG1 3.31Å; I216-I220 PolarHBondContact O-N 3.23Å
217	Q	53.7	Low	50	Low	87 Å²	87	67.5 Å²	67.5	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-44.5	174.9	-72.6	176.3	-9.2	0	0	111.6	I213 L219 I220 V221	I213-Q217 WeakPolarHBondContact O-CG 3.01Å; I213-Q217 PolarHBondContact O-N 3.38Å; Q217-L219 VanDerWaalsContact C-N 3.35Å; Q217-L219 PolarHBondContact O-N 2.83Å; Q217-I220 PolarHBondContact O-N 2.81Å; Q217-V221 WeakPolarHBondContact O-CB 3.21Å; Q217-V221 VanDerWaalsContact O-CG2 3.3Å; Q217-V221 WeakPolarHBondContact O-CG2 3.35Å; Q217-V221 PolarHBondContact O-N 2.91Å
218	N	55.4	Low	48.8	Very low	91 Å²	91	70.1 Å²	70.1	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-31.1	175.8	-79.7	-59.2	0	0	0	113.3	E214 R215 I216 S222	E214-N218 WeakPolarHBondContact CG-ND2 3.49Å; E214-N218 WeakPolarHBondContact O-CB 3.36Å; E214-N218 PolarHBondContact O-N 2.8Å; E214-N218 PolarHBondContact O-ND2 3.41Å; R215-N218 PolarHBondContact O-N 3.47Å; I216-N218 PolarHBondContact O-N 2.86Å; N218-S222 VanDerWaalsContact O-CB 3.23Å; N218-S222 WeakPolarHBondContact O-CB 3.45Å; N218-S222 PolarHBondContact O-N 3.5Å; N218-S222 PolarHBondContact O-OG 2.9Å
219	L	56.7	Low	47.5	Very low	27 Å²	27	71.9 Å²	71.9	14%	0.141	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-47.5	171.4	-136.3	81.7	0	0	0	111	F188 Q191 L192 M195 R215 I216 Q217 V221 S222 G223	F188-L219 HydrophobicContact CD2-CD2 4.08Å; F188-L219 HydrophobicContact CD2-CG 4.3Å; F188-L219 HydrophobicContact CE2-CB 4.35Å; F188-L219 HydrophobicContact CE2-CD2 3.86Å; F188-L219 HydrophobicContact CE2-CG 3.78Å; F188-L219 WeakPolarHBondContact CE2-O 3.39Å; F188-L219 HydrophobicContact CZ-CD2 4.36Å; F188-L219 HydrophobicContact CZ-CG 4.46Å; Q191-L219 HydrophobicContact CB-CD2 3.96Å; L192-L219 HydrophobicContact CD2-CB 4.5Å; L192-L219 HydrophobicContact CD2-CD2 3.84Å; L192-L219 HydrophobicContact CG-CD2 3.93Å; M195-L219 HydrophobicContact CE-CD1 4.47Å; M195-L219 HydrophobicContact SD-CD1 4.28Å; M195-L219 HydrophobicContact SD-CD2 4.21Å; R215-L219 PolarHBondContact O-N 3.02Å; I216-L219 WeakPolarHBondContact O-CB 3.36Å; I216-L219 PolarHBondContact O-N 3.17Å; Q217-L219 VanDerWaalsContact C-N 3.35Å; Q217-L219 PolarHBondContact O-N 2.83Å; L219-V221 PolarHBondContact O-N 2.73Å; L219-S222 PolarHBondContact O-OG 2.9Å; L219-S222 VanDerWaalsContact O-OG 3.07Å; L219-G223 PolarHBondContact O-N 3.47Å
220	I	52.2	Low	46.2	Very low	46 Å²	46	79.2 Å²	79.2	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-62.7	-42.9	177.6	-65.5	164.6	0	0	0	111	I216 Q217 G223 L334	I216-I220 HydrophobicContact CG2-CD1 3.93Å; I216-I220 WeakPolarHBondContact O-CG1 3.31Å; I216-I220 PolarHBondContact O-N 3.23Å; Q217-I220 PolarHBondContact O-N 2.81Å; I220-G223 PolarHBondContact O-N 2.84Å; I220-L334 HydrophobicContact CG2-CD1 4.37Å
221	V	45.3	Very low	44.9	Very low	57 Å²	57	79.8 Å²	79.8	35%	0.345	42%	0.415	S	S	.	.	H	α-helix	trans	-79.9	-28.2	-177.6	171.8	0	0	0	0	113.2	Q217 L219 G223 T224 K225	Q217-V221 WeakPolarHBondContact O-CB 3.21Å; Q217-V221 VanDerWaalsContact O-CG2 3.3Å; Q217-V221 WeakPolarHBondContact O-CG2 3.35Å; Q217-V221 PolarHBondContact O-N 2.91Å; L219-V221 PolarHBondContact O-N 2.73Å; V221-G223 PolarHBondContact O-N 2.67Å; V221-T224 PolarHBondContact O-N 3.26Å; V221-T224 VanDerWaalsContact O-N 3.11Å; V221-T224 PolarHBondContact O-OG1 2.93Å; V221-K225 HydrophobicContact CG1-CD 4.18Å; V221-K225 HydrophobicContact CG1-CG 4.43Å; V221-K225 PolarHBondContact O-N 3.14Å
222	S	45.7	Very low	43.1	Very low	81 Å²	81	79.5 Å²	79.5	57%	0.566	44%	0.441	S	S	*	.	H	α-helix	trans	-68.1	-26.9	169.5	51.1	0	0	0	0	111.7	N218 L219 T224	N218-S222 VanDerWaalsContact O-CB 3.23Å; N218-S222 WeakPolarHBondContact O-CB 3.45Å; N218-S222 PolarHBondContact O-N 3.5Å; N218-S222 PolarHBondContact O-OG 2.9Å; L219-S222 PolarHBondContact O-OG 2.9Å; L219-S222 VanDerWaalsContact O-OG 3.07Å; S222-T224 PolarHBondContact O-N 2.23Å
223	G	40.9	Very low	41.4	Very low	3 Å²	3	82.7 Å²	82.7	3%	0.031	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.6	168.2	0	0	0	0	0	115.6	L219 I220 V221	L219-G223 PolarHBondContact O-N 3.47Å; I220-G223 PolarHBondContact O-N 2.84Å; V221-G223 PolarHBondContact O-N 2.67Å
224	T	35.5	Very low	40	Very low	59 Å²	59	89.2 Å²	89.2	36%	0.362	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-25.5	177.2	66.4	0	0	0	0	114	V221 S222 S226 P294	V221-T224 PolarHBondContact O-N 3.26Å; V221-T224 VanDerWaalsContact O-N 3.11Å; V221-T224 PolarHBondContact O-OG1 2.93Å; S222-T224 PolarHBondContact O-N 2.23Å; T224-S226 PolarHBondContact O-N 2.83Å; T224-S226 VanDerWaalsContact O-N 3.09Å; T224-P294 HydrophobicContact CG2-CB 4.08Å
225	K	30.1	Very low	38.5	Very low	159 Å²	159	92.3 Å²	92.3	69%	0.691	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	54.2	-170.2	-69.5	-177.8	172.7	-175	0	115.1	V221	V221-K225 HydrophobicContact CG1-CD 4.18Å; V221-K225 HydrophobicContact CG1-CG 4.43Å; V221-K225 PolarHBondContact O-N 3.14Å
226	S	31.8	Very low	36.7	Very low	38 Å²	38	89.2 Å²	89.2	27%	0.266	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	15	176.5	65.4	0	0	0	0	116.4	T224 Q291 L292	T224-S226 PolarHBondContact O-N 2.83Å; T224-S226 VanDerWaalsContact O-N 3.09Å; S226-Q291 PolarHBondContact O-NE2 2.85Å; S226-L292 PolarHBondContact OG-O 2.87Å
227	T	31.2	Very low	35.1	Very low	84 Å²	84	93.6 Å²	93.6	52%	0.515	55%	0.552	S	S	.	*			trans	-88.6	-17	-174.6	41.9	0	0	0	0	115.3	S229	T227-S229 PolarHBondContact O-N 3.01Å
228	D	28.9	Very low	33.7	Very low	148 Å²	148	97.4 Å²	97.4	79%	0.791	58%	0.575	S	S	*	*	S	Bend	trans	-85.1	23.3	-156.7	-50	-26.5	0	0	0	114.6
229	S	25.5	Very low	32.2	Very low	77 Å²	77	100.1 Å²	100.1	54%	0.538	59%	0.589	S	S	.	*			trans	-146	89.4	177.6	67.9	0	0	0	0	112.9	T227	T227-S229 PolarHBondContact O-N 3.01Å
230	F	26.6	Very low	30.6	Very low	164 Å²	164	102.9 Å²	102.9	72%	0.719	62%	0.616	S	S	*	*			trans	-129.7	126.1	159.3	-112.2	-80.2	0	0	0	110
231	P	25.4	Very low	29.3	Very low	104 Å²	104	108.4 Å²	108.4	68%	0.675	65%	0.646	S	S	*	*			trans	-74.4	130.2	179.3	29.5	-33.6	0	0	0	111.1	S233	P231-S233 VanDerWaalsContact C-N 3.28Å; P231-S233 PolarHBondContact O-N 3.47Å
232	G	25.4	Very low	28.3	Very low	93 Å²	93	109.7 Å²	109.7	96%	0.959	66%	0.663	S	S	*	*	S	Bend	trans	-74.7	66.9	-176.3	0	0	0	0	0	114.4
233	S	24.7	Very low	27.3	Very low	89 Å²	89	112 Å²	112	62%	0.622	67%	0.674	S	S	*	*			trans	-144.9	42.9	-177	71.9	0	0	0	0	115	P231	P231-S233 VanDerWaalsContact C-N 3.28Å; P231-S233 PolarHBondContact O-N 3.47Å
234	L	25.2	Very low	26.6	Very low	166 Å²	166	116.8 Å²	116.8	87%	0.869	71%	0.706	S	S	*	*			trans	-132.8	54.6	168.8	-75.7	-179.8	0	0	0	112.5
235	L	27.2	Very low	26	Very low	176 Å²	176	124.9 Å²	124.9	92%	0.921	73%	0.73	S	S	*	*			trans	-125.7	90.4	160.5	-99.7	170.5	0	0	0	109.7
236	P	25.7	Very low	25.8	Very low	108 Å²	108	123.2 Å²	123.2	70%	0.701	73%	0.734	S	S	*	*			trans	-142.1	155.8	141.1	37.6	-24.5	0	0	0	112.5
237	S	25.1	Very low	25.5	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	76%	0.757	S	S	*	*			cis	-171	136.8	-16	48.4	0	0	0	0	108.4	N239	S237-N239 PolarHBondContact O-N 2.97Å
238	L	23	Very low	25.2	Very low	167 Å²	167	129.5 Å²	129.5	87%	0.874	77%	0.772	S	S	*	*			trans	-70.6	108.4	163.6	-81	153	0	0	0	109.2
239	N	24	Very low	25	Very low	149 Å²	149	128.3 Å²	128.3	80%	0.797	77%	0.77	S	S	*	*				168.8	150	122.9	-86.7	-33.4	0	0	0	115.6	S237	S237-N239 PolarHBondContact O-N 2.97Å
240	A	24.3	Very low	25	Very low	84 Å²	84	131.5 Å²	131.5	69%	0.694	79%	0.786	S	S	*	*			trans	26.3	117.6	146.7	0	0	0	0	0	121.6
241	N	23.6	Very low	25	Very low	162 Å²	162	126.6 Å²	126.6	87%	0.866	78%	0.782	S	S	*	*				52.4	157	125.8	-69.6	-11.7	0	0	0	123.1
242	A	24.8	Very low	25	Very low	85 Å²	85	128.8 Å²	128.8	70%	0.702	79%	0.787	S	S	*	*			trans	73.2	80.3	159.3	0	0	0	0	0	118.6
243	T	25	Very low	25.1	Very low	129 Å²	129	132.3 Å²	132.3	79%	0.791	78%	0.784	S	S	*	*				48.5	119.9	124.5	52.4	0	0	0	0	121.4
244	S	25	Very low	25.4	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	80%	0.795	S	S	*	*				108.2	106.5	124.9	76	0	0	0	0	121.2
245	R	23.4	Very low	25.7	Very low	230 Å²	230	133.2 Å²	133.2	87%	0.868	78%	0.783	S	S	*	*				82	140.1	125	-74.9	-177.3	169	176.8	-3.1	122.1
246	T	25.4	Very low	25.7	Very low	124 Å²	124	129.1 Å²	129.1	76%	0.761	77%	0.768	S	S	*	*			trans	65.5	81.7	147.2	46.6	0	0	0	0	120
247	A	25.4	Very low	25.8	Very low	91 Å²	91	129.4 Å²	129.4	75%	0.752	77%	0.768	S	S	*	*				47.9	163.7	94.4	0	0	0	0	0	121.4
248	I	25.4	Very low	26	Very low	163 Å²	163	133.5 Å²	133.5	84%	0.836	77%	0.773	S	S	*	*			trans	105.6	134.1	176.5	-61.6	164.9	0	0	0	112.7
249	V	25.8	Very low	26.2	Very low	122 Å²	122	136.6 Å²	136.6	74%	0.739	77%	0.773	S	S	*	*			cis	158.4	156.3	-34.3	157.4	0	0	0	0	107.8
250	V	25.3	Very low	26.3	Very low	145 Å²	145	135.8 Å²	135.8	88%	0.879	77%	0.767	S	S	*	*			trans	76.5	135.7	-178.2	-160	0	0	0	0	115.1
251	G	25.6	Very low	26.3	Very low	61 Å²	61	141.7 Å²	141.7	63%	0.629	77%	0.772	S	S	*	*			cis	165	164	-12.3	0	0	0	0	0	116.2
252	N	25	Very low	26.4	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	77%	0.767	S	S	*	*			trans	7.6	133.3	159.9	-50.6	-9.7	0	0	0	120.4
253	N	28.6	Very low	26.5	Very low	168 Å²	168	142.2 Å²	142.2	90%	0.898	77%	0.766	S	S	*	*				-172.5	155.2	101.7	-92.4	-34.9	0	0	0	115.4
254	Q	30.1	Very low	26.6	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	76%	0.762	S	S	*	*			trans	-109.6	-160.8	174.6	-131.7	-173.6	26.1	0	0	107.4
255	P	32.1	Very low	26.7	Very low	95 Å²	95	146.3 Å²	146.3	62%	0.617	77%	0.77	S	S	*	*			cis	-141.8	178.7	-17.3	32.8	-9.6	0	0	0	116.9
256	S	26.9	Very low	27.4	Very low	89 Å²	89	140.7 Å²	140.7	62%	0.622	76%	0.763	S	S	*	*			trans	60.4	124.5	135.3	66.6	0	0	0	0	125.4
257	T	27.6	Very low	27.4	Very low	114 Å²	114	139.4 Å²	139.4	70%	0.699	76%	0.759	S	S	*	*			trans	67.9	136.5	132.1	65.2	0	0	0	0	122.8
258	K	29	Very low	27.5	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	77%	0.765	S	S	*	*				171.7	155.3	111.7	-94.1	156.8	-172.4	164.7	0	115.3
259	R	27.2	Very low	27.6	Very low	233 Å²	233	140.7 Å²	140.7	88%	0.879	76%	0.757	S	S	*	*			trans	88.9	141.5	172.8	-56	-171.6	174.5	-170.9	-2.5	115
260	L	27.2	Very low	27.7	Very low	131 Å²	131	141.1 Å²	141.1	69%	0.686	76%	0.76	S	S	*	*			cis	-157.1	131.2	-12.7	-113.2	174.1	0	0	0	112.6
261	R	24.9	Very low	27.7	Very low	209 Å²	209	143.2 Å²	143.2	79%	0.789	76%	0.758	S	S	*	*			trans	37.5	124.9	146.9	-72.1	-178.6	173	158.5	-2.3	122.7
262	L	24.6	Very low	27.8	Very low	144 Å²	144	144.8 Å²	144.8	75%	0.754	77%	0.765	S	S	*	*				68.9	142.2	95.9	-56.8	173.5	0	0	0	115.5
263	T	25.9	Very low	27.9	Very low	114 Å²	114	144.6 Å²	144.6	70%	0.699	76%	0.762	S	S	*	*			cis	-164.6	-166.2	-10.6	28.5	0	0	0	0	107.5
264	T	28.4	Very low	27.8	Very low	114 Å²	114	139.7 Å²	139.7	70%	0.699	75%	0.745	S	S	*	*			cis	-161.8	116.9	17	-25.9	0	0	0	0	114.8
265	K	27.5	Very low	27.5	Very low	204 Å²	204	140 Å²	140	89%	0.887	74%	0.743	S	S	*	*			trans	60.6	165.5	145.5	-76.7	-168	171.2	-176.8	0	122.6
266	P	36.8	Very low	27.2	Very low	112 Å²	112	143.6 Å²	143.6	73%	0.727	75%	0.752	S	S	*	*			trans	-134	-169.6	-153.1	45.6	-29.2	0	0	0	115.8
267	S	25.2	Very low	27.3	Very low	97 Å²	97	146.4 Å²	146.4	68%	0.678	77%	0.766	S	S	*	*				157	159	116.5	62.7	0	0	0	0	116.2
268	K	29	Very low	27.2	Very low	199 Å²	199	144 Å²	144	87%	0.865	76%	0.763	S	S	*	*			trans	70.4	153.3	163.2	-62.1	177.6	-177.8	178.9	0	119.1
269	A	26.3	Very low	27.2	Very low	82 Å²	82	144.4 Å²	144.4	68%	0.678	77%	0.768	S	S	*	*			cis	-178.8	169.8	-30.3	0	0	0	0	0	110
270	T	27.7	Very low	27	Very low	131 Å²	131	136.9 Å²	136.9	80%	0.804	76%	0.763	S	S	*	*			trans	80.2	105.3	165.4	-42.4	0	0	0	0	114.6
271	K	26.7	Very low	27.1	Very low	189 Å²	189	137.4 Å²	137.4	82%	0.822	77%	0.771	S	S	*	*				84.6	103.3	54.1	-80.2	-162	170	-168.5	0	115.7
272	A	27.3	Very low	27.2	Very low	94 Å²	94	135.5 Å²	135.5	78%	0.777	78%	0.777	S	S	*	*			trans	-157.9	115.6	130.7	0	0	0	0	0	106.5
273	I	26.5	Very low	27.2	Very low	145 Å²	145	134.2 Å²	134.2	74%	0.744	78%	0.78	S	S	*	*				80.8	125.8	59.3	-68.6	169	0	0	0	111.3
274	A	26	Very low	27.2	Very low	64 Å²	64	134.7 Å²	134.7	53%	0.529	79%	0.788	S	S	.	*			cis	-168.2	-169.4	-11.7	0	0	0	0	0	110.3
275	F	24.2	Very low	27	Very low	185 Å²	185	134.1 Å²	134.1	81%	0.811	80%	0.795	S	S	*	*			trans	78	105	173.1	-59.8	-76.8	0	0	0	114.2
276	E	26.8	Very low	27	Very low	172 Å²	172	130.6 Å²	130.6	80%	0.804	80%	0.796	S	S	*	*			cis	58.8	130.3	27.1	-54.8	176.9	158.2	0	0	112.3
277	T	28.7	Very low	26.4	Very low	147 Å²	147	128.7 Å²	128.7	90%	0.902	80%	0.797	S	S	*	*			cis	-127.8	168.7	46.6	46.4	0	0	0	0	114.4
278	G	25.5	Very low	26.3	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	80%	0.8	S	S	*	*			cis	166.3	160.8	-7.5	0	0	0	0	0	112.3
279	E	28.1	Very low	26.1	Very low	204 Å²	204	128 Å²	128	95%	0.953	80%	0.795	S	S	*	*			trans	63.4	122.3	168.9	-57	-179.9	-167.2	0	0	118.1
280	G	24	Very low	26.1	Very low	74 Å²	74	130.7 Å²	130.7	76%	0.763	79%	0.793	S	S	*	*			cis	116.8	94.6	-20.3	0	0	0	0	0	116.7
281	V	27.9	Very low	26.2	Very low	143 Å²	143	127.9 Å²	127.9	87%	0.867	77%	0.771	S	S	*	*			trans	-142.8	118	160	-179	0	0	0	0	110.6
282	D	27.5	Very low	26.3	Very low	168 Å²	168	122 Å²	122	90%	0.898	75%	0.748	S	S	*	*			trans	-90.6	142.9	165.1	-82.4	-53.9	0	0	0	110.8
283	S	24.6	Very low	26.5	Very low	117 Å²	117	122 Å²	122	82%	0.818	74%	0.735	S	S	*	*			trans	-160.2	139.5	147.9	54.8	0	0	0	0	112.4
284	S	26.6	Very low	26.7	Very low	125 Å²	125	116.4 Å²	116.4	87%	0.874	71%	0.708	S	S	*	*			trans	-97.2	120.3	-177.7	58	0	0	0	0	112
285	A	24.4	Very low	26.9	Very low	102 Å²	102	114.8 Å²	114.8	84%	0.843	69%	0.692	S	S	*	*			trans	-142.8	135.7	167.6	0	0	0	0	0	111.2
286	S	27.1	Very low	27.5	Very low	130 Å²	130	108.2 Å²	108.2	91%	0.909	67%	0.668	S	S	*	*			trans	-85	119.7	176.9	58.1	0	0	0	0	111.4
287	G	23.6	Very low	28	Very low	72 Å²	72	101.4 Å²	101.4	74%	0.742	64%	0.636	S	S	*	*			trans	179.3	116.4	172	0	0	0	0	0	114
288	K	24.1	Very low	28.3	Very low	172 Å²	172	95.3 Å²	95.3	75%	0.748	60%	0.603	S	S	*	*			trans	29.8	122.7	159.5	-59.4	-168.3	-178.8	-177.5	0	119.9	E290	K288-E290 HydrophobicContact CB-CG 4.32Å; K288-E290 WeakPolarHBondContact CD-OE1 3.03Å; K288-E290 IonicContact NZ-OE1 3.92Å; K288-E290 PolarHBondContact NZ-OE1 2.83Å; K288-E290 PolarHBondContact O-N 2.83Å
289	S	25.6	Very low	28.8	Very low	108 Å²	108	99.5 Å²	99.5	76%	0.755	60%	0.599	S	S	*	*			trans	-71.3	103.2	160.9	50.5	0	0	0	0	111.8
290	E	26.1	Very low	29.1	Very low	139 Å²	139	91.8 Å²	91.8	65%	0.65	56%	0.564	S	S	*	*			trans	-128.8	85.2	172.4	-68.7	173	-173.5	0	0	107	K288	K288-E290 HydrophobicContact CB-CG 4.32Å; K288-E290 WeakPolarHBondContact CD-OE1 3.03Å; K288-E290 IonicContact NZ-OE1 3.92Å; K288-E290 PolarHBondContact NZ-OE1 2.83Å; K288-E290 PolarHBondContact O-N 2.83Å
291	Q	29.2	Very low	29.7	Very low	73 Å²	73	90.2 Å²	90.2	34%	0.341	54%	0.538	S	S	.	.				73	93.9	96.7	-75.7	-174.3	-16.6	0	0	114.7	Y181 S226	Y181-Q291 PolarHBondContact OH-O 3.23Å; S226-Q291 PolarHBondContact O-NE2 2.85Å
292	L	28.9	Very low	30	Very low	65 Å²	65	87.9 Å²	87.9	34%	0.34	51%	0.514	S	S	.	.			trans	-85.8	125.2	160.8	-85.3	163.5	0	0	0	108.8	I184 S226 P294	I184-L292 HydrophobicContact CG2-CD1 4.38Å; I184-L292 HydrophobicContact CG2-CD2 4.31Å; S226-L292 PolarHBondContact OG-O 2.87Å; L292-P294 WeakPolarHBondContact O-CD 3.39Å
293	L	30.2	Very low	30.1	Very low	95 Å²	95	82.4 Å²	82.4	50%	0.497	49%	0.488	S	S	.	.			trans	-84.3	118.6	176.9	-110.5	158.1	0	0	0	109.8	C295 T296	L293-C295 HydrophobicContact CD2-CB 4.39Å; L293-C295 PolarHBondContact O-N 3.2Å; L293-C295 VanDerWaalsContact O-N 3.09Å; L293-T296 WeakPolarHBondContact O-CB 3.4Å; L293-T296 PolarHBondContact O-N 3.21Å; L293-T296 PolarHBondContact O-OG1 2.86Å
294	P	31.1	Very low	30.5	Very low	27 Å²	27	79.1 Å²	79.1	18%	0.175	47%	0.472	C	S	.	.	H	α-helix	trans	-61.8	-21.6	-178	18.5	-29.1	0	0	0	114	T224 L292 T296 I297 G298 F327	T224-P294 HydrophobicContact CG2-CB 4.08Å; L292-P294 WeakPolarHBondContact O-CD 3.39Å; P294-T296 PolarHBondContact O-N 2.83Å; P294-T296 VanDerWaalsContact O-N 3.16Å; P294-I297 PolarHBondContact O-N 2.82Å; P294-G298 PolarHBondContact O-N 3.07Å; P294-F327 HydrophobicContact CB-CE1 4.08Å; P294-F327 HydrophobicContact CG-CE1 3.77Å; P294-F327 HydrophobicContact CG-CZ 3.92Å
295	C	31.7	Very low	30.6	Very low	29 Å²	29	82.1 Å²	82.1	20%	0.196	47%	0.472	C	S	.	.	H	α-helix	trans	-45.5	-40.6	165.6	-70.2	0	0	0	0	113.5	L293 R299 F327	L293-C295 HydrophobicContact CD2-CB 4.39Å; L293-C295 PolarHBondContact O-N 3.2Å; L293-C295 VanDerWaalsContact O-N 3.09Å; C295-R299 WeakPolarHBondContact O-CB 3.2Å; C295-R299 WeakPolarHBondContact O-CD 3.46Å; C295-R299 WeakPolarHBondContact O-CG 3.45Å; C295-R299 PolarHBondContact O-N 2.98Å; C295-F327 WeakPolarHBondContact SG-CZ 3.32Å
296	T	35.6	Very low	30.5	Very low	48 Å²	48	82.1 Å²	82.1	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-72.6	-42.9	-171	-48.6	0	0	0	0	110.8	L293 P294 R299 L300	L293-T296 WeakPolarHBondContact O-CB 3.4Å; L293-T296 PolarHBondContact O-N 3.21Å; L293-T296 PolarHBondContact O-OG1 2.86Å; P294-T296 PolarHBondContact O-N 2.83Å; P294-T296 VanDerWaalsContact O-N 3.16Å; T296-R299 PolarHBondContact O-N 2.85Å; T296-L300 HydrophobicContact CG2-CD1 4.03Å; T296-L300 WeakPolarHBondContact O-CB 3.23Å; T296-L300 WeakPolarHBondContact O-CG 2.6Å; T296-L300 PolarHBondContact O-N 2.87Å
297	I	36.5	Very low	30.4	Very low	28 Å²	28	80.7 Å²	80.7	14%	0.144	46%	0.456	C	S	.	.	H	α-helix	trans	-67.9	-41.9	179.3	-61.9	167.9	0	0	0	110.3	F188 P294 L300 L301	F188-I297 HydrophobicContact CD1-CD1 4.4Å; F188-I297 HydrophobicContact CE1-CD1 3.75Å; F188-I297 HydrophobicContact CE1-CG1 4.15Å; F188-I297 HydrophobicContact CE1-CG2 4.15Å; F188-I297 HydrophobicContact CZ-CD1 3.84Å; P294-I297 PolarHBondContact O-N 2.82Å; I297-L300 PolarHBondContact O-N 2.98Å; I297-L301 HydrophobicContact CG2-CD1 3.98Å; I297-L301 WeakPolarHBondContact O-CG 3.32Å; I297-L301 PolarHBondContact O-N 2.96Å
298	G	36.3	Very low	30.4	Very low	20 Å²	20	84.9 Å²	84.9	21%	0.206	46%	0.461	C	S	.	.	H	α-helix	trans	-58	-48.4	173.2	0	0	0	0	0	112.7	P294 L300 L301 Y302	P294-G298 PolarHBondContact O-N 3.07Å; G298-L300 VanDerWaalsContact C-N 3.33Å; G298-L300 PolarHBondContact O-N 2.91Å; G298-L301 PolarHBondContact O-N 3.25Å; G298-Y302 PolarHBondContact O-N 3.09Å
299	R	34.9	Very low	30.4	Very low	150 Å²	150	81.2 Å²	81.2	57%	0.566	46%	0.457	S	S	*	.	H	α-helix	trans	-64.8	-30.9	177.7	-72.8	168.9	-178.5	-176.1	-0.4	114	C295 T296 Y302 P303	C295-R299 WeakPolarHBondContact O-CB 3.2Å; C295-R299 WeakPolarHBondContact O-CD 3.46Å; C295-R299 WeakPolarHBondContact O-CG 3.45Å; C295-R299 PolarHBondContact O-N 2.98Å; T296-R299 PolarHBondContact O-N 2.85Å; R299-Y302 CarbonylContact O-C 3.54Å; R299-P303 WeakPolarHBondContact O-CA 3.29Å
300	L	36	Very low	30.2	Very low	42 Å²	42	81.9 Å²	81.9	22%	0.22	46%	0.461	C	S	.	.	H	α-helix	trans	-78.9	-36.8	179	-74	173.1	0	0	0	112.8	F159 I162 T296 I297 G298	F159-L300 HydrophobicContact CD1-CD2 4.25Å; F159-L300 HydrophobicContact CE1-CB 4.01Å; F159-L300 HydrophobicContact CE1-CD1 4.36Å; F159-L300 HydrophobicContact CE1-CD2 3.86Å; F159-L300 HydrophobicContact CE1-CG 4.27Å; I162-L300 HydrophobicContact CD1-CD2 3.88Å; T296-L300 HydrophobicContact CG2-CD1 4.03Å; T296-L300 WeakPolarHBondContact O-CB 3.23Å; T296-L300 WeakPolarHBondContact O-CG 2.6Å; T296-L300 PolarHBondContact O-N 2.87Å; I297-L300 PolarHBondContact O-N 2.98Å; G298-L300 VanDerWaalsContact C-N 3.33Å; G298-L300 PolarHBondContact O-N 2.91Å
301	L	35.2	Very low	30	Very low	42 Å²	42	80 Å²	80	22%	0.22	46%	0.463	C	S	.	.	H	α-helix	trans	-75.3	-40.5	174.1	-67.7	172	0	0	0	111.9	L152 I297 G298 P303	L152-L301 HydrophobicContact CD2-CD2 4.19Å; I297-L301 HydrophobicContact CG2-CD1 3.98Å; I297-L301 WeakPolarHBondContact O-CG 3.32Å; I297-L301 PolarHBondContact O-N 2.96Å; G298-L301 PolarHBondContact O-N 3.25Å; L301-P303 WeakPolarHBondContact O-CD 3.48Å
302	Y	34.9	Very low	29.9	Very low	93 Å²	93	84.6 Å²	84.6	37%	0.365	49%	0.489	S	S	.	.	S	Bend	trans	-127.3	78.3	-177.2	-64.8	-74	0	0	0	112.1	L151 G298 R299 G304	L151-Y302 HydrophobicContact CD2-CE1 4.49Å; G298-Y302 PolarHBondContact O-N 3.09Å; R299-Y302 CarbonylContact O-C 3.54Å; Y302-G304 PolarHBondContact O-N 2.9Å
303	P	30.3	Very low	29.6	Very low	54 Å²	54	86.3 Å²	86.3	35%	0.351	51%	0.506	S	S	.	.			trans	-66.2	99.8	172.1	25.5	-32.3	0	0	0	110	K158 R299 L301	K158-P303 HydrophobicContact CD-CG 4.19Å; R299-P303 WeakPolarHBondContact O-CA 3.29Å; L301-P303 WeakPolarHBondContact O-CD 3.48Å
304	G	31.4	Very low	29.2	Very low	47 Å²	47	87 Å²	87	49%	0.485	52%	0.519	S	S	.	.			trans	-56.6	153.9	-179.9	0	0	0	0	0	113.1	Y302 S306	Y302-G304 PolarHBondContact O-N 2.9Å; G304-S306 VanDerWaalsContact C-N 3.3Å; G304-S306 PolarHBondContact O-N 2.97Å
305	H	28.7	Very low	28.9	Very low	188 Å²	188	90.2 Å²	90.2	87%	0.87	54%	0.542	S	S	*	.			trans	-71.7	77.6	-175.8	-70.2	-74.1	0	0	0	112.6	S307	H305-S307 PolarHBondContact O-N 3.35Å
306	S	23.9	Very low	28.4	Very low	103 Å²	103	94.5 Å²	94.5	72%	0.72	57%	0.573	S	S	*	*			trans	-73.9	52	166.4	53	0	0	0	0	111.9	G304 L308	G304-S306 VanDerWaalsContact C-N 3.3Å; G304-S306 PolarHBondContact O-N 2.97Å; S306-L308 PolarHBondContact O-N 3.09Å
307	S	24.2	Very low	27.8	Very low	100 Å²	100	98.3 Å²	98.3	70%	0.699	60%	0.596	S	S	*	*			trans	-73.5	74.2	168.6	54.7	0	0	0	0	109.9	H305 S309	H305-S307 PolarHBondContact O-N 3.35Å; S307-S309 PolarHBondContact O-N 3.3Å
308	L	24.1	Very low	27.2	Very low	159 Å²	159	103.3 Å²	103.3	83%	0.832	63%	0.628	S	S	*	*			trans	-61.7	102	163.4	-95.6	77	0	0	0	108.1	S306 S310	S306-L308 PolarHBondContact O-N 3.09Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 2.82Å
309	S	23.9	Very low	26.6	Very low	96 Å²	96	110.7 Å²	110.7	67%	0.671	66%	0.662	S	S	*	*			trans	-74.4	81.3	173.9	54.1	0	0	0	0	110.8	S307 S311	S307-S309 PolarHBondContact O-N 3.3Å; S309-S311 PolarHBondContact O-N 2.95Å; S309-S311 PolarHBondContact O-OG 2.87Å
310	S	21.9	Very low	26	Very low	121 Å²	121	109.2 Å²	109.2	85%	0.846	67%	0.673	S	S	*	*	S	Bend	trans	46.1	50.3	141.6	63.1	0	0	0	0	117.3	L308	L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 2.82Å
311	S	22.2	Very low	25.3	Very low	99 Å²	99	112.4 Å²	112.4	69%	0.692	70%	0.699	S	S	*	*			trans	-158	161.6	166.4	54.3	0	0	0	0	111.3	S309	S309-S311 PolarHBondContact O-N 2.95Å; S309-S311 PolarHBondContact O-OG 2.87Å
312	I	25.4	Very low	24.9	Very low	170 Å²	170	115 Å²	115	87%	0.872	72%	0.721	S	S	*	*			trans	83.1	100	-172.5	-53.8	168.1	0	0	0	113.5
313	S	22.5	Very low	24.4	Very low	102 Å²	102	117.8 Å²	117.8	71%	0.713	74%	0.742	S	S	*	*			trans	-104.3	143.9	175.4	51.3	0	0	0	0	111.7
314	S	23.4	Very low	24.2	Very low	108 Å²	108	122.5 Å²	122.5	76%	0.755	76%	0.764	S	S	*	*			trans	66.9	159	161.7	58.7	0	0	0	0	119.5
315	S	23	Very low	23.8	Very low	95 Å²	95	125.9 Å²	125.9	66%	0.664	77%	0.771	S	S	*	*			trans	60.7	80.3	171.5	49.9	0	0	0	0	119
316	S	22.5	Very low	23.7	Very low	120 Å²	120	121.7 Å²	121.7	84%	0.839	76%	0.758	S	S	*	*				36.3	90.7	122.4	60.7	0	0	0	0	119.1
317	T	23	Very low	23.8	Very low	128 Å²	128	121.7 Å²	121.7	79%	0.785	75%	0.745	S	S	*	*			trans	-134.8	123.6	161	35	0	0	0	0	112.1
318	T	24.1	Very low	24	Very low	133 Å²	133	123.3 Å²	123.3	82%	0.816	74%	0.742	S	S	*	*			trans	15.9	114	154.2	51.7	0	0	0	0	119.6	C320	T318-C320 PolarHBondContact O-N 3.07Å
319	L	22.6	Very low	24.5	Very low	175 Å²	175	118.7 Å²	118.7	92%	0.916	72%	0.723	S	S	*	*			trans	-69.7	114.9	152	-75.3	76.3	0	0	0	109.2
320	C	21.8	Very low	24.7	Very low	118 Å²	118	117.2 Å²	117.2	80%	0.797	71%	0.707	S	S	*	*			trans	-168.9	162.9	157.6	-101	0	0	0	0	110.3	T318	T318-C320 PolarHBondContact O-N 3.07Å
321	S	22.4	Very low	25	Very low	110 Å²	110	115.5 Å²	115.5	77%	0.769	69%	0.694	S	S	*	*			trans	55.8	92.6	178.2	59.2	0	0	0	0	116.5
322	S	26.2	Very low	25.4	Very low	97 Å²	97	114 Å²	114	68%	0.678	68%	0.684	S	S	*	*			trans	-151	29.7	162.6	58.4	0	0	0	0	113.4	N324	S322-N324 PolarHBondContact O-N 3.43Å; S322-N324 VanDerWaalsContact O-N 3.13Å
323	D	24.5	Very low	25.7	Very low	151 Å²	151	111.3 Å²	111.3	81%	0.807	66%	0.663	S	S	*	*			trans	-74.2	-1.8	-170.5	-51.6	-71	0	0	0	115	L325	D323-L325 PolarHBondContact O-N 2.8Å
324	N	25.5	Very low	26.2	Very low	153 Å²	153	110 Å²	110	82%	0.818	65%	0.648	S	S	*	*			trans	-94.4	41.9	-178.6	-70.8	-10.6	0	0	0	113.5	S322 T326	S322-N324 PolarHBondContact O-N 3.43Å; S322-N324 VanDerWaalsContact O-N 3.13Å; N324-T326 PolarHBondContact O-N 3.3Å
325	L	24.8	Very low	26.8	Very low	118 Å²	118	109.9 Å²	109.9	62%	0.618	64%	0.638	S	S	*	*			trans	-83.9	86.6	170.5	-85.9	166.2	0	0	0	110.5	D323 F327	D323-L325 PolarHBondContact O-N 2.8Å; L325-F327 PolarHBondContact O-N 2.85Å
326	T	26.5	Very low	27.4	Very low	99 Å²	99	107.9 Å²	107.9	61%	0.607	63%	0.627	S	S	*	*			trans	-65.2	108.4	178.5	50.2	0	0	0	0	111.7	N324 E328	N324-T326 PolarHBondContact O-N 3.3Å; T326-E328 PolarHBondContact O-N 3.26Å
327	F	26.3	Very low	28	Very low	103 Å²	103	104.5 Å²	104.5	45%	0.452	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.2	-14.5	-176.5	-98.6	-89.2	0	0	0	116.1	P294 C295 L325 S329 D330	P294-F327 HydrophobicContact CB-CE1 4.08Å; P294-F327 HydrophobicContact CG-CE1 3.77Å; P294-F327 HydrophobicContact CG-CZ 3.92Å; C295-F327 WeakPolarHBondContact SG-CZ 3.32Å; L325-F327 PolarHBondContact O-N 2.85Å; F327-S329 VanDerWaalsContact C-N 3.25Å; F327-S329 PolarHBondContact O-N 2.9Å; F327-D330 PolarHBondContact O-N 2.87Å
328	E	28	Very low	28.8	Very low	135 Å²	135	101 Å²	101	63%	0.631	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-24.8	-173	-57.2	-178.8	127.4	0	0	113.7	T326 D330 S332	T326-E328 PolarHBondContact O-N 3.26Å; E328-D330 VanDerWaalsContact C-N 3.26Å; E328-D330 PolarHBondContact O-N 2.83Å; E328-S332 PolarHBondContact O-OG 2.8Å
329	S	33.1	Very low	29.5	Very low	61 Å²	61	96.7 Å²	96.7	43%	0.427	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-22.7	-179.5	65.2	0	0	0	0	114.6	F327 S332	F327-S329 VanDerWaalsContact C-N 3.25Å; F327-S329 PolarHBondContact O-N 2.9Å; S329-S332 PolarHBondContact O-OG 2.9Å; S329-S332 VanDerWaalsContact O-OG 3.05Å
330	D	28.9	Very low	30.2	Very low	65 Å²	65	89.7 Å²	89.7	35%	0.348	51%	0.514	S	S	.	.	H	α-helix	trans	-96.7	-29.8	-172.5	-70.7	3.1	0	0	0	111.4	F327 E328 R333 L334	F327-D330 PolarHBondContact O-N 2.87Å; E328-D330 VanDerWaalsContact C-N 3.26Å; E328-D330 PolarHBondContact O-N 2.83Å; D330-R333 PolarHBondContact O-N 3.06Å; D330-L334 PolarHBondContact O-N 3.22Å; D330-L334 VanDerWaalsContact O-N 3.11Å
331	C	27.4	Very low	30.9	Very low	85 Å²	85	86.6 Å²	86.6	57%	0.574	49%	0.489	S	S	*	.	H	α-helix	trans	-64.1	-39.8	171.3	-68.8	0	0	0	0	112.4	R333 L334 L335	C331-R333 VanDerWaalsContact C-N 3.31Å; C331-R333 PolarHBondContact O-N 2.59Å; C331-L334 PolarHBondContact O-N 3.42Å; C331-L334 VanDerWaalsContact O-N 3.17Å; C331-L335 PolarHBondContact O-N 3.2Å
332	S	31.4	Very low	31.8	Very low	67 Å²	67	83.4 Å²	83.4	47%	0.469	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-33.1	176.3	48.4	0	0	0	0	112.6	E328 S329 L335 A336	E328-S332 PolarHBondContact O-OG 2.8Å; S329-S332 PolarHBondContact O-OG 2.9Å; S329-S332 VanDerWaalsContact O-OG 3.05Å; S332-L335 PolarHBondContact O-N 2.88Å; S332-A336 PolarHBondContact O-N 3.01Å
333	R	31.4	Very low	32.3	Very low	114 Å²	114	79.8 Å²	79.8	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-71.9	-30	171.7	-76.3	-180	163.4	175.7	-1.4	113.8	D330 C331 A336 S337	D330-R333 PolarHBondContact O-N 3.06Å; C331-R333 VanDerWaalsContact C-N 3.31Å; C331-R333 PolarHBondContact O-N 2.59Å; R333-A336 PolarHBondContact O-N 2.94Å; R333-S337 PolarHBondContact O-N 3.28Å
334	L	33.1	Very low	32.8	Very low	76 Å²	76	76.8 Å²	76.8	40%	0.398	42%	0.416	S	S	.	.	H	α-helix	trans	-72.4	-36.5	174	-163.2	140.6	0	0	0	110.8	I220 D330 C331 S337 F338	I220-L334 HydrophobicContact CG2-CD1 4.37Å; D330-L334 PolarHBondContact O-N 3.22Å; D330-L334 VanDerWaalsContact O-N 3.11Å; C331-L334 PolarHBondContact O-N 3.42Å; C331-L334 VanDerWaalsContact O-N 3.17Å; L334-S337 WeakPolarHBondContact O-CB 3.47Å; L334-S337 PolarHBondContact O-N 2.81Å; L334-S337 VanDerWaalsContact O-N 3.07Å; L334-S337 PolarHBondContact O-OG 3.37Å; L334-F338 HydrophobicContact CD2-CD2 4.38Å; L334-F338 HydrophobicContact CD2-CE2 3.87Å; L334-F338 WeakPolarHBondContact O-CD2 3.48Å
335	L	36	Very low	33.3	Very low	105 Å²	105	71 Å²	71	55%	0.55	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-42.4	167.2	-74.8	164.5	0	0	0	111.9	C331 S332 S337 F338 D339	C331-L335 PolarHBondContact O-N 3.2Å; S332-L335 PolarHBondContact O-N 2.88Å; L335-S337 PolarHBondContact O-N 3.04Å; L335-S337 VanDerWaalsContact O-N 3.08Å; L335-F338 CarbonylContact O-C 3.56Å; L335-F338 WeakPolarHBondContact O-CA 3.48Å; L335-F338 PolarHBondContact O-N 2.9Å; L335-D339 PolarHBondContact O-N 2.66Å
336	A	35.8	Very low	33.7	Very low	53 Å²	53	65.7 Å²	65.7	44%	0.438	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-7.1	173.1	0	0	0	0	0	114.9	S332 R333	S332-A336 PolarHBondContact O-N 3.01Å; R333-A336 PolarHBondContact O-N 2.94Å
337	S	34.6	Very low	33.9	Very low	48 Å²	48	64.1 Å²	64.1	34%	0.336	35%	0.35	S	S	.	.	H	α-helix	trans	-88.6	-18.3	165.6	74	0	0	0	0	113.8	R333 L334 L335	R333-S337 PolarHBondContact O-N 3.28Å; L334-S337 WeakPolarHBondContact O-CB 3.47Å; L334-S337 PolarHBondContact O-N 2.81Å; L334-S337 VanDerWaalsContact O-N 3.07Å; L334-S337 PolarHBondContact O-OG 3.37Å; L335-S337 PolarHBondContact O-N 3.04Å; L335-S337 VanDerWaalsContact O-N 3.08Å
338	F	39.6	Very low	34.2	Very low	54 Å²	54	64.5 Å²	64.5	24%	0.237	35%	0.349	C	S	.	.	H	α-helix	trans	-91.8	-13.7	170.1	-70.9	-76.3	0	0	0	113.2	L144 L334 L335 P340 L341 V342	L144-F338 HydrophobicContact CD1-CD1 4.47Å; L144-F338 HydrophobicContact CD1-CE1 4.46Å; L334-F338 HydrophobicContact CD2-CD2 4.38Å; L334-F338 HydrophobicContact CD2-CE2 3.87Å; L334-F338 WeakPolarHBondContact O-CD2 3.48Å; L335-F338 CarbonylContact O-C 3.56Å; L335-F338 WeakPolarHBondContact O-CA 3.48Å; L335-F338 PolarHBondContact O-N 2.9Å; F338-P340 VanDerWaalsContact C-CD 3.49Å; F338-P340 VanDerWaalsContact C-N 3.34Å; F338-L341 HydrophobicContact CD1-CD2 4.45Å; F338-L341 WeakPolarHBondContact O-CA 3.25Å; F338-L341 VanDerWaalsContact O-CB 3.28Å; F338-L341 WeakPolarHBondContact O-CB 3.44Å; F338-L341 PolarHBondContact O-N 2.78Å; F338-V342 PolarHBondContact O-N 2.97Å
339	D	40.6	Very low	34.2	Very low	44 Å²	44	65.6 Å²	65.6	24%	0.235	36%	0.357	C	S	.	.	H	α-helix	trans	-42	-51.8	171.6	-107.1	-28	0	0	0	113	L335 L341 V342 I343	L335-D339 PolarHBondContact O-N 2.66Å; D339-L341 PolarHBondContact O-N 3.31Å; D339-L341 VanDerWaalsContact O-N 3.09Å; D339-V342 PolarHBondContact O-N 3.36Å; D339-I343 HydrophobicContact CB-CD1 3.95Å; D339-I343 WeakPolarHBondContact O-CB 3.3Å; D339-I343 WeakPolarHBondContact O-CD1 3.22Å; D339-I343 WeakPolarHBondContact O-CG1 3.28Å; D339-I343 PolarHBondContact O-N 2.61Å
340	P	37.5	Very low	34	Very low	27 Å²	27	64.1 Å²	64.1	18%	0.175	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-16.9	-179.7	-21.7	34.7	0	0	0	114.8	F338 R344	F338-P340 VanDerWaalsContact C-CD 3.49Å; F338-P340 VanDerWaalsContact C-N 3.34Å; P340-R344 WeakPolarHBondContact O-CB 3.25Å
341	L	36.5	Very low	34	Very low	53 Å²	53	65.3 Å²	65.3	28%	0.277	35%	0.352	S	S	.	.	H	α-helix	trans	-85.2	-51.4	172.4	-167.6	83.9	0	0	0	110.1	C140 L144 F338 D339 R344 L345	C140-L341 HydrophobicContact CB-CD1 4.41Å; L144-L341 HydrophobicContact CD1-CD1 4.21Å; F338-L341 HydrophobicContact CD1-CD2 4.45Å; F338-L341 WeakPolarHBondContact O-CA 3.25Å; F338-L341 VanDerWaalsContact O-CB 3.28Å; F338-L341 WeakPolarHBondContact O-CB 3.44Å; F338-L341 PolarHBondContact O-N 2.78Å; D339-L341 PolarHBondContact O-N 3.31Å; D339-L341 VanDerWaalsContact O-N 3.09Å; L341-R344 PolarHBondContact O-N 2.93Å; L341-L345 HydrophobicContact CD2-CD1 4.34Å; L341-L345 HydrophobicContact CG-CD1 3.94Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 3.31Å
342	V	39.8	Very low	34.1	Very low	44 Å²	44	64.5 Å²	64.5	27%	0.267	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-47.9	-178.7	178.5	0	0	0	0	111	F338 D339 R344 L345 A346 W935	F338-V342 PolarHBondContact O-N 2.97Å; D339-V342 PolarHBondContact O-N 3.36Å; V342-R344 VanDerWaalsContact C-N 3.31Å; V342-R344 PolarHBondContact O-N 3.3Å; V342-L345 PolarHBondContact O-N 3.48Å; V342-A346 WeakPolarHBondContact O-CB 3.28Å; V342-A346 PolarHBondContact O-N 2.94Å; V342-W935 HydrophobicContact CG1-CH2 4.48Å; V342-W935 HydrophobicContact CG2-CH2 4.46Å
343	I	36.7	Very low	34	Very low	21 Å²	21	63.4 Å²	63.4	11%	0.108	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-39.3	177.4	-66.8	164.7	0	0	0	111	T85 Y87 D339 A346 S347	T85-I343 HydrophobicContact CG2-CB 4.44Å; T85-I343 HydrophobicContact CG2-CD1 3.9Å; T85-I343 HydrophobicContact CG2-CG1 3.87Å; T85-I343 HydrophobicContact CG2-CG2 3.73Å; Y87-I343 HydrophobicContact CD2-CG2 3.9Å; Y87-I343 HydrophobicContact CE2-CG2 4.07Å; D339-I343 HydrophobicContact CB-CD1 3.95Å; D339-I343 WeakPolarHBondContact O-CB 3.3Å; D339-I343 WeakPolarHBondContact O-CD1 3.22Å; D339-I343 WeakPolarHBondContact O-CG1 3.28Å; D339-I343 PolarHBondContact O-N 2.61Å; I343-A346 PolarHBondContact O-N 3.36Å; I343-S347 WeakPolarHBondContact O-CB 3.43Å; I343-S347 PolarHBondContact O-N 2.82Å
344	R	35.5	Very low	34.1	Very low	88 Å²	88	60.9 Å²	60.9	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-84.5	-23.6	-175.5	-157.3	172.1	-162.7	152.6	7.2	113.8	P340 L341 V342 S347	P340-R344 WeakPolarHBondContact O-CB 3.25Å; L341-R344 PolarHBondContact O-N 2.93Å; V342-R344 VanDerWaalsContact C-N 3.31Å; V342-R344 PolarHBondContact O-N 3.3Å; R344-S347 WeakPolarHBondContact CA-OG 3.49Å; R344-S347 PolarHBondContact O-OG 3.12Å
345	L	36.7	Very low	34.1	Very low	31 Å²	31	58.4 Å²	58.4	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-74.2	-36.2	166.2	-72	168.8	0	0	0	111.3	L341 V342 W935	L341-L345 HydrophobicContact CD2-CD1 4.34Å; L341-L345 HydrophobicContact CG-CD1 3.94Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 3.31Å; V342-L345 PolarHBondContact O-N 3.48Å; L345-W935 HydrophobicContact CB-CD2 4.45Å; L345-W935 HydrophobicContact CB-CH2 4.16Å; L345-W935 HydrophobicContact CB-CZ2 3.49Å; L345-W935 VanDerWaalsContact CB-CZ2 3.49Å; L345-W935 HydrophobicContact CD1-CD2 3.87Å; L345-W935 HydrophobicContact CD1-CE3 3.8Å; L345-W935 HydrophobicContact CD1-CH2 3.76Å; L345-W935 HydrophobicContact CD1-CZ2 3.83Å; L345-W935 HydrophobicContact CD1-CZ3 3.73Å; L345-W935 HydrophobicContact CG-CZ2 4.3Å
346	A	33.1	Very low	34	Very low	7 Å²	7	53.4 Å²	53.4	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-40.7	168.1	0	0	0	0	0	111.5	V342 I343 R348 L789 P791	V342-A346 WeakPolarHBondContact O-CB 3.28Å; V342-A346 PolarHBondContact O-N 2.94Å; I343-A346 PolarHBondContact O-N 3.36Å; A346-R348 PolarHBondContact O-N 3.46Å; A346-L789 HydrophobicContact CB-CD2 4.37Å; A346-P791 CarbonylContact C-O 3.52Å; A346-P791 WeakPolarHBondContact O-CA 3.47Å; A346-P791 VanDerWaalsContact O-O 3.06Å
347	S	30.3	Very low	33.9	Very low	65 Å²	65	53.4 Å²	53.4	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	17.5	-179.7	90.1	0	0	0	0	115.9	I343 R344 P791	I343-S347 WeakPolarHBondContact O-CB 3.43Å; I343-S347 PolarHBondContact O-N 2.82Å; R344-S347 WeakPolarHBondContact CA-OG 3.49Å; R344-S347 PolarHBondContact O-OG 3.12Å; S347-P791 WeakPolarHBondContact CA-O 3.26Å; S347-P791 PolarHBondContact N-O 2.99Å; S347-P791 VanDerWaalsContact N-O 3.1Å
348	R	31.6	Very low	33.5	Very low	111 Å²	111	52.8 Å²	52.8	42%	0.419	28%	0.28	S	S	.	.	S	Bend	trans	-66.6	144.5	156	-69	-178.3	167.6	178.9	-3.5	107.9	E137 A346 V350	E137-R348 VanDerWaalsContact CG-NH2 3.26Å; E137-R348 IonicContact OE1-CZ 2.98Å; E137-R348 IonicContact OE1-NH1 3.91Å; E137-R348 PolarHBondContact OE1-NH1 3.33Å; E137-R348 VanDerWaalsContact OE1-NH1 3.11Å; E137-R348 IonicContact OE1-NH2 3.92Å; E137-R348 PolarHBondContact OE1-NH2 3.49Å; A346-R348 PolarHBondContact O-N 3.46Å; R348-V350 PolarHBondContact O-N 2.88Å
349	I	29.2	Very low	33	Very low	158 Å²	158	52.1 Å²	52.1	81%	0.81	28%	0.279	S	S	*	.			trans	-68.7	92.6	168.9	-60	177.3	0	0	0	106.9	N351	I349-N351 PolarHBondContact O-N 3.27Å; I349-N351 VanDerWaalsContact O-N 3.08Å
350	V	28.3	Very low	32.5	Very low	30 Å²	30	52.1 Å²	52.1	18%	0.182	28%	0.278	C	S	.	.			trans	-56.8	116.4	172.1	179.5	0	0	0	0	106.8	R348 Y354 C770 P791	R348-V350 PolarHBondContact O-N 2.88Å; V350-Y354 HydrophobicContact CG1-CD1 4.05Å; V350-Y354 HydrophobicContact CG1-CG 4.13Å; V350-C770 HydrophobicContact CG2-CB 4.13Å; V350-P791 HydrophobicContact CG2-CG 4.3Å
351	N	29.2	Very low	32.2	Very low	90 Å²	90	52 Å²	52	48%	0.481	28%	0.278	S	S	.	.			trans	-52.4	127.3	176.9	-179.6	-17.5	0	0	0	108.2	I349 N353 Y354	I349-N351 PolarHBondContact O-N 3.27Å; I349-N351 VanDerWaalsContact O-N 3.08Å; N351-N353 PolarHBondContact O-N 3.09Å; N351-N353 VanDerWaalsContact OD1-CB 3.32Å; N351-N353 WeakPolarHBondContact OD1-CB 3.44Å; N351-N353 PolarHBondContact OD1-N 3.48Å; N351-N353 PolarHBondContact OD1-OD1 3.47Å; N351-Y354 VanDerWaalsContact O-CB 3.26Å; N351-Y354 WeakPolarHBondContact O-CB 3.48Å; N351-Y354 PolarHBondContact O-N 2.84Å
352	P	28.5	Very low	31.8	Very low	69 Å²	69	53.9 Å²	53.9	45%	0.448	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-3.7	179.4	25.8	-35.7	0	0	0	113.8	Y710	P352-Y710 HydrophobicContact CB-CE2 4.37Å
353	N	30.9	Very low	31.3	Very low	43 Å²	43	55.8 Å²	55.8	23%	0.23	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5.7	172.6	-56.5	16.2	0	0	0	113	N351 L355 N362 N583	N351-N353 PolarHBondContact O-N 3.09Å; N351-N353 VanDerWaalsContact OD1-CB 3.32Å; N351-N353 WeakPolarHBondContact OD1-CB 3.44Å; N351-N353 PolarHBondContact OD1-N 3.48Å; N351-N353 PolarHBondContact OD1-OD1 3.47Å; N353-L355 PolarHBondContact O-N 3.38Å; N353-N362 PolarHBondContact ND2-ND2 3.3Å; N353-N583 VanDerWaalsContact CG-ND2 3.32Å; N353-N583 PolarHBondContact ND2-OD1 2.88Å; N353-N583 VanDerWaalsContact ND2-OD1 3.12Å; N353-N583 PolarHBondContact OD1-ND2 3.36Å; N353-N583 PolarHBondContact OD1-OD1 2.85Å; N353-N583 VanDerWaalsContact OD1-OD1 3.12Å
354	Y	32.2	Very low	30.9	Very low	62 Å²	62	57.5 Å²	57.5	24%	0.243	31%	0.314	C	S	.	.			trans	-85.1	107.6	178.4	-172.8	-97.1	0	0	0	111.4	V350 N351 Y683	V350-Y354 HydrophobicContact CG1-CD1 4.05Å; V350-Y354 HydrophobicContact CG1-CG 4.13Å; N351-Y354 VanDerWaalsContact O-CB 3.26Å; N351-Y354 WeakPolarHBondContact O-CB 3.48Å; N351-Y354 PolarHBondContact O-N 2.84Å; Y354-Y683 WeakPolarHBondContact CD1-OH 3.4Å; Y354-Y683 WeakPolarHBondContact CE1-OH 3.27Å
355	L	34	Very low	30.6	Very low	24 Å²	24	59.9 Å²	59.9	13%	0.126	34%	0.339	C	S	.	.			trans	-103.4	31.7	-173.1	-57.8	169.9	0	0	0	113	N353 L360 W586 R588	N353-L355 PolarHBondContact O-N 3.38Å; L355-L360 HydrophobicContact CB-CD1 3.84Å; L355-L360 HydrophobicContact CB-CD2 4.23Å; L355-W586 HydrophobicContact CD1-CB 4.04Å; L355-W586 HydrophobicContact CD1-CD2 4.07Å; L355-W586 HydrophobicContact CD1-CG 3.55Å; L355-R588 PolarHBondContact O-NH1 3.11Å
356	G	32.8	Very low	30.2	Very low	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	75	-170.7	175.3	0	0	0	0	0	116.2	G358 L360	G356-G358 PolarHBondContact O-N 2.87Å; G356-G358 VanDerWaalsContact O-N 3.16Å; G356-L360 WeakPolarHBondContact O-CD1 3.45Å
357	N	33.5	Very low	29.9	Very low	53 Å²	53	70.7 Å²	70.7	28%	0.283	39%	0.391	S	S	.	.	S	Bend	trans	-56.1	111.7	-158.8	-55.7	17.3	0	0	0	114.1	R588 P642	N357-R588 VanDerWaalsContact O-CZ 3.26Å; N357-R588 PolarHBondContact O-NE 2.9Å; N357-R588 PolarHBondContact O-NH2 2.77Å; N357-P642 HydrophobicContact CB-CG 4.22Å; N357-P642 WeakPolarHBondContact O-CD 3.17Å; N357-P642 VanDerWaalsContact O-CG 3.25Å; N357-P642 WeakPolarHBondContact O-CG 3.45Å
358	G	27.8	Very low	29.8	Very low	34 Å²	34	73.6 Å²	73.6	35%	0.351	39%	0.392	S	S	.	.	S	Bend	trans	154.8	170.2	174.6	0	0	0	0	0	112	G356 L360	G356-G358 PolarHBondContact O-N 2.87Å; G356-G358 VanDerWaalsContact O-N 3.16Å; G358-L360 VanDerWaalsContact C-N 3.27Å; G358-L360 PolarHBondContact O-N 2.76Å
359	L	28	Very low	29.6	Very low	41 Å²	41	72.5 Å²	72.5	22%	0.215	39%	0.392	C	S	.	.			trans	-74.4	79.7	178.3	-72.3	167.2	0	0	0	111.1	C361 V530 N543 L545 L587	L359-C361 PolarHBondContact O-N 3.4Å; L359-V530 HydrophobicContact CD1-CG2 3.9Å; L359-N543 HydrophobicContact CD1-CB 3.99Å; L359-N543 HydrophobicContact CD2-CB 3.83Å; L359-N543 HydrophobicContact CG-CB 4.38Å; L359-L545 HydrophobicContact CB-CD1 3.89Å; L359-L545 HydrophobicContact CD2-CD1 4.08Å; L359-L545 HydrophobicContact CD2-CG 4.41Å; L359-L587 VanDerWaalsContact O-O 3.12Å
360	L	30.8	Very low	29.5	Very low	43 Å²	43	69.4 Å²	69.4	23%	0.225	39%	0.385	C	S	.	.			trans	-79.6	110.1	175	-75.4	167.3	0	0	0	110.7	L355 G356 G358 W586 L587 R588	L355-L360 HydrophobicContact CB-CD1 3.84Å; L355-L360 HydrophobicContact CB-CD2 4.23Å; G356-L360 WeakPolarHBondContact O-CD1 3.45Å; G358-L360 VanDerWaalsContact C-N 3.27Å; G358-L360 PolarHBondContact O-N 2.76Å; L360-W586 HydrophobicContact CD2-CB 4.23Å; L360-W586 HydrophobicContact CD2-CD2 4.44Å; L360-W586 HydrophobicContact CD2-CE3 4.13Å; L360-L587 WeakPolarHBondContact CA-O 3.38Å; L360-R588 HydrophobicContact CD2-CB 4.34Å
361	C	29.9	Very low	29.4	Very low	26 Å²	26	72.7 Å²	72.7	18%	0.176	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.8	165.3	-161.7	0	0	0	0	108.4	L359 V363 L545 L587	L359-C361 PolarHBondContact O-N 3.4Å; C361-V363 PolarHBondContact O-N 3.18Å; C361-L545 HydrophobicContact CB-CD1 4.08Å; C361-L587 PolarHBondContact N-O 3.34Å
362	N	29	Very low	29.4	Very low	91 Å²	91	74.2 Å²	74.2	49%	0.487	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.2	163.2	-171.3	21.1	0	0	0	107	N353 S364	N353-N362 PolarHBondContact ND2-ND2 3.3Å; N362-S364 VanDerWaalsContact C-N 3.32Å; N362-S364 PolarHBondContact O-N 3.44Å
363	V	29.3	Very low	29.2	Very low	85 Å²	85	77.7 Å²	77.7	52%	0.515	44%	0.436	S	S	.	.			trans	-73.5	88.7	-175.8	-175.9	0	0	0	0	109.2	C361 T365	C361-V363 PolarHBondContact O-N 3.18Å; V363-T365 PolarHBondContact O-N 3.24Å
364	S	29	Very low	28.9	Very low	56 Å²	56	84.8 Å²	84.8	39%	0.392	47%	0.468	S	S	.	.			trans	-62.3	119.7	178.7	57	0	0	0	0	110.2	N362 H366	N362-S364 VanDerWaalsContact C-N 3.32Å; N362-S364 PolarHBondContact O-N 3.44Å; S364-H366 VanDerWaalsContact C-N 3.29Å; S364-H366 PolarHBondContact O-N 2.01Å
365	T	28.9	Very low	28.5	Very low	139 Å²	139	87.5 Å²	87.5	85%	0.853	50%	0.496	S	S	*	.			trans	-71.9	80	-180	53	0	0	0	0	111.1	V363	V363-T365 PolarHBondContact O-N 3.24Å
366	H	27.6	Very low	28.1	Very low	142 Å²	142	93.9 Å²	93.9	66%	0.657	53%	0.531	S	S	*	.			trans	-123.8	135.8	172.3	-71.7	-54.6	0	0	0	110.2	S364	S364-H366 VanDerWaalsContact C-N 3.29Å; S364-H366 PolarHBondContact O-N 2.01Å
367	N	26.8	Very low	27.7	Very low	123 Å²	123	101.6 Å²	101.6	66%	0.658	57%	0.57	S	S	*	*			trans	67.1	71.1	170	-43.8	-25.7	0	0	0	115.8
368	Y	27.6	Very low	27.2	Very low	125 Å²	125	106.2 Å²	106.2	49%	0.49	59%	0.594	S	S	.	*			trans	-136.7	101.5	152.9	-100.5	-65.1	0	0	0	113.1	N517 I525	Y368-N517 PolarHBondContact OH-ND2 2.8Å; Y368-I525 HydrophobicContact CE2-CD1 4.44Å; Y368-I525 HydrophobicContact CE2-CG2 3.99Å
369	Q	27.6	Very low	27.1	Very low	89 Å²	89	108 Å²	108	42%	0.416	60%	0.595	S	S	.	*			trans	-101.8	119.8	164.6	-58.3	-142.1	-84.1	0	0	110.3	D558 P559 V560	Q369-D558 VanDerWaalsContact CG-CG 3.4Å; Q369-D558 VanDerWaalsContact CG-OD1 3.28Å; Q369-D558 WeakPolarHBondContact CG-OD1 3.27Å; Q369-D558 WeakPolarHBondContact CG-OD2 3.17Å; Q369-D558 PolarHBondContact NE2-OD1 3.5Å; Q369-P559 VanDerWaalsContact NE2-N 3.14Å; Q369-V560 HydrophobicContact CB-CB 4.36Å; Q369-V560 HydrophobicContact CB-CG2 4.08Å; Q369-V560 HydrophobicContact CG-CB 4.34Å; Q369-V560 HydrophobicContact CG-CG2 4.47Å; Q369-V560 VanDerWaalsContact NE2-N 3.14Å
370	S	28.2	Very low	27.1	Very low	93 Å²	93	108.6 Å²	108.6	65%	0.65	59%	0.594	S	S	*	*				-173.8	165.3	119	61.2	0	0	0	0	110.3
371	S	26.6	Very low	26.7	Very low	98 Å²	98	115.1 Å²	115.1	69%	0.685	62%	0.617	S	S	*	*			trans	-95.5	124.8	178.4	47	0	0	0	0	111.3
372	T	27.5	Very low	26.4	Very low	122 Å²	122	115.8 Å²	115.8	75%	0.748	62%	0.623	S	S	*	*				179.2	140.8	109.2	29.5	0	0	0	0	112.2
373	N	24.7	Very low	26.1	Very low	142 Å²	142	117.5 Å²	117.5	76%	0.759	63%	0.631	S	S	*	*			trans	42.4	118.5	151.9	-59.4	-15.2	0	0	0	121
374	Q	24.5	Very low	25.9	Very low	192 Å²	192	121.6 Å²	121.6	90%	0.897	64%	0.644	S	S	*	*			trans	65.7	98.4	148.4	-61.1	179.3	-45.3	0	0	118.4
375	S	24.6	Very low	25.7	Very low	120 Å²	120	125 Å²	125	84%	0.839	66%	0.663	S	S	*	*			trans	-158.8	107.9	146.3	18.3	0	0	0	0	110.9
376	D	25	Very low	25.4	Very low	158 Å²	158	126.1 Å²	126.1	85%	0.845	66%	0.664	S	S	*	*			trans	-74.4	150.5	165.7	-87.5	-54.7	0	0	0	110.5	L378	D376-L378 PolarHBondContact O-N 2.93Å
377	I	24.1	Very low	25.3	Very low	162 Å²	162	124.4 Å²	124.4	83%	0.831	67%	0.668	S	S	*	*	S	Bend	trans	-77.3	94.1	-163.8	-57.2	162.6	0	0	0	111.4
378	L	22.6	Very low	25.2	Very low	149 Å²	149	125.4 Å²	125.4	78%	0.78	67%	0.667	S	S	*	*			trans	-137.1	87.1	-178.3	-92.1	169.8	0	0	0	112.9	D376	D376-L378 PolarHBondContact O-N 2.93Å
379	L	25.6	Very low	25.2	Very low	73 Å²	73	124.9 Å²	124.9	38%	0.382	68%	0.68	S	S	.	*			trans	-141.5	115.5	-167.9	-68.1	174.3	0	0	0	114.1	I492 P493	L379-I492 HydrophobicContact CD1-CB 4.48Å; L379-I492 HydrophobicContact CD1-CD1 3.87Å; L379-I492 HydrophobicContact CD1-CG1 3.99Å; L379-I492 HydrophobicContact CD1-CG2 3.77Å; L379-I492 HydrophobicContact CD2-CG2 4.22Å; L379-P493 HydrophobicContact CD2-CG 3.88Å
380	W	28.7	Very low	25.2	Very low	52 Å²	52	127.2 Å²	127.2	20%	0.197	69%	0.694	C	S	.	*			cis	-153.9	-169.1	-21	41.8	-55.1	0	0	0	111.1	R490 W491 R605 N623 S625	W380-R490 HydrophobicContact CH2-CB 3.69Å; W380-R490 HydrophobicContact CH2-CG 3.77Å; W380-R490 HydrophobicContact CZ2-CB 4Å; W380-R490 HydrophobicContact CZ2-CG 4.06Å; W380-W491 PolarHBondContact NE1-O 3.05Å; W380-R605 VanDerWaalsContact NE1-NH1 3.2Å; W380-R605 PolarHBondContact O-NH2 2.95Å; W380-N623 PolarHBondContact O-ND2 3.17Å; W380-S625 PolarHBondContact O-OG 3.38Å
381	Y	22.3	Very low	25	Very low	180 Å²	180	125.7 Å²	125.7	71%	0.706	69%	0.692	S	S	*	*			trans	-90.1	173.8	-178.8	-164.1	-106.7	0	0	0	112.1	R605	Y381-R605 PolarHBondContact O-NH2 2.93Å
382	S	23.4	Very low	25.1	Very low	41 Å²	41	129.2 Å²	129.2	29%	0.287	70%	0.696	S	S	.	*			trans	-113.2	126	173.2	176.9	0	0	0	0	110.5	E626	S382-E626 WeakPolarHBondContact CB-OE1 3.32Å; S382-E626 WeakPolarHBondContact CB-OE2 3.35Å; S382-E626 PolarHBondContact N-OE1 3.15Å
383	L	24.2	Very low	25.2	Very low	127 Å²	127	130 Å²	130	67%	0.665	70%	0.701	S	S	*	*			trans	-78.7	127.7	175.9	-95.8	164.1	0	0	0	110.8	T385	L383-T385 PolarHBondContact O-N 3.14Å
384	Q	25.3	Very low	25.5	Very low	170 Å²	170	127.7 Å²	127.7	79%	0.794	70%	0.695	S	S	*	*			trans	-68.5	129.9	174.9	-70.8	-178.4	-20.3	0	0	111.1	N386	Q384-N386 PolarHBondContact O-N 3.03Å
385	T	23.8	Very low	25.8	Very low	129 Å²	129	125 Å²	125	79%	0.791	69%	0.687	S	S	*	*			trans	-1.9	102.6	164	52.7	0	0	0	0	117.6	L383	L383-T385 PolarHBondContact O-N 3.14Å
386	N	22.9	Very low	26	Very low	161 Å²	161	126.7 Å²	126.7	86%	0.861	69%	0.686	S	S	*	*			trans	-139.2	67.6	155.2	-98	-34.6	0	0	0	109.7	Q384 F388	Q384-N386 PolarHBondContact O-N 3.03Å; N386-F388 PolarHBondContact O-N 2.87Å
387	S	25.8	Very low	26.2	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	68%	0.684	S	S	*	*			trans	-74.6	106.4	-177.5	53.5	0	0	0	0	112.2	C389	S387-C389 PolarHBondContact O-N 3.18Å
388	F	24.9	Very low	26.3	Very low	145 Å²	145	127.8 Å²	127.8	64%	0.636	68%	0.684	S	S	*	*			trans	-86.3	103.7	173	-112.5	-87.1	0	0	0	111.4	N386 I390 R406 F407	N386-F388 PolarHBondContact O-N 2.87Å; F388-I390 PolarHBondContact O-N 3.4Å; F388-R406 VanDerWaalsContact CZ-O 3.24Å; F388-R406 WeakPolarHBondContact CZ-O 3.35Å; F388-F407 HydrophobicContact CE1-CD1 4.22Å
389	C	25.9	Very low	26.6	Very low	114 Å²	114	125.6 Å²	125.6	77%	0.77	68%	0.676	S	S	*	*			trans	-81.6	107.4	177.5	-64.7	0	0	0	0	112	S387 G391	S387-C389 PolarHBondContact O-N 3.18Å; C389-G391 VanDerWaalsContact C-N 3.34Å; C389-G391 PolarHBondContact O-N 3.15Å
390	I	27.6	Very low	26.6	Very low	138 Å²	138	129.5 Å²	129.5	71%	0.708	70%	0.698	S	S	*	*			trans	-82.9	78.6	173	-54.4	-179.1	0	0	0	109.8	F388	F388-I390 PolarHBondContact O-N 3.4Å
391	G	24.9	Very low	26.7	Very low	60 Å²	60	133.6 Å²	133.6	62%	0.619	72%	0.722	S	S	*	*			trans	-86.2	151.4	176.1	0	0	0	0	0	113.7	C389	C389-G391 VanDerWaalsContact C-N 3.34Å; C389-G391 PolarHBondContact O-N 3.15Å
392	K	27.9	Very low	26.9	Very low	173 Å²	173	133.5 Å²	133.5	75%	0.752	73%	0.728	S	S	*	*			trans	-67.7	131.8	172.9	-73.7	178.1	179.6	170.3	0	110.8	S394	K392-S394 PolarHBondContact O-N 3.21Å
393	T	30.5	Very low	27.3	Very low	139 Å²	139	136.2 Å²	136.2	85%	0.853	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-4.6	-171.4	47.4	0	0	0	0	116
394	S	31.7	Very low	27.7	Very low	93 Å²	93	135.9 Å²	135.9	65%	0.65	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-16.4	-169.8	57.4	0	0	0	0	116	K392	K392-S394 PolarHBondContact O-N 3.21Å
395	N	31.1	Very low	28.1	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	74%	0.743	S	S	*	*			trans	-114.1	2.2	-164.1	-70.1	26.7	0	0	0	115.1	L397	N395-L397 VanDerWaalsContact C-N 3.29Å; N395-L397 PolarHBondContact O-N 2.92Å
396	L	28.5	Very low	28.6	Very low	154 Å²	154	136.5 Å²	136.5	81%	0.806	73%	0.734	S	S	*	*			trans	-80.8	71.2	178.6	-81.1	167.9	0	0	0	112.1	K398	L396-K398 PolarHBondContact O-N 3.47Å
397	L	28	Very low	29	Very low	153 Å²	153	136.4 Å²	136.4	80%	0.801	73%	0.726	S	S	*	*			trans	-77.6	109.1	170	-85.8	167.6	0	0	0	111.2	N395	N395-L397 VanDerWaalsContact C-N 3.29Å; N395-L397 PolarHBondContact O-N 2.92Å
398	K	26.4	Very low	29.5	Very low	191 Å²	191	134.8 Å²	134.8	83%	0.83	71%	0.714	S	S	*	*	S	Bend	trans	59	69.4	158.4	-57.4	-177.4	178.5	-178.8	0	117	L396	L396-K398 PolarHBondContact O-N 3.47Å
399	T	29.2	Very low	30.2	Very low	102 Å²	102	134 Å²	134	63%	0.626	72%	0.721	S	S	*	*			trans	-127.6	131.3	147.7	46.6	0	0	0	0	109.9	I401	T399-I401 PolarHBondContact O-N 3.08Å
400	N	26.7	Very low	30.8	Very low	155 Å²	155	130.9 Å²	130.9	83%	0.829	70%	0.697	S	S	*	*			trans	-81.6	106	-178.2	-71.1	-10.8	0	0	0	109.8
401	I	29.1	Very low	31.4	Very low	139 Å²	139	129.7 Å²	129.7	71%	0.713	70%	0.698	S	S	*	*			trans	-120.2	92.6	173.7	-55.6	-179.3	0	0	0	108.8	T399 E403	T399-I401 PolarHBondContact O-N 3.08Å; I401-E403 VanDerWaalsContact C-N 3.33Å; I401-E403 PolarHBondContact O-N 3.12Å; I401-E403 VanDerWaalsContact O-N 3.15Å
402	H	26.4	Very low	32.1	Very low	178 Å²	178	128.7 Å²	128.7	82%	0.824	68%	0.678	S	S	*	*			trans	-83.9	69.5	176.5	-87.2	-76.6	0	0	0	111.7
403	E	33.6	Very low	32.8	Very low	97 Å²	97	125.5 Å²	125.5	45%	0.453	68%	0.675	S	S	.	*			trans	-135	97.4	164.6	-80.6	-164.6	-148.4	0	0	110.7	I401 N405 R406	I401-E403 VanDerWaalsContact C-N 3.33Å; I401-E403 PolarHBondContact O-N 3.12Å; I401-E403 VanDerWaalsContact O-N 3.15Å; E403-N405 PolarHBondContact O-N 2.93Å; E403-N405 VanDerWaalsContact O-N 3.16Å; E403-R406 VanDerWaalsContact CD-NH2 3.29Å; E403-R406 IonicContact OE1-CZ 3.62Å; E403-R406 IonicContact OE1-NH2 2.76Å; E403-R406 PolarHBondContact OE1-NH2 3.31Å; E403-R406 IonicContact OE2-CZ 3.94Å; E403-R406 IonicContact OE2-NE 3.19Å; E403-R406 PolarHBondContact OE2-NE 2.87Å; E403-R406 IonicContact OE2-NH2 2.99Å; E403-R406 PolarHBondContact OE2-NH2 2.84Å
404	P	32	Very low	33.6	Very low	120 Å²	120	123.2 Å²	123.2	78%	0.779	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-65.6	-16.8	-174.9	-24.3	35.2	0	0	0	115.6
405	N	33.6	Very low	34.1	Very low	157 Å²	157	124.9 Å²	124.9	84%	0.84	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-96.9	2.5	-162.8	-67	1.9	0	0	0	115.1	E403	E403-N405 PolarHBondContact O-N 2.93Å; E403-N405 VanDerWaalsContact O-N 3.16Å
406	R	34	Very low	34.7	Very low	156 Å²	156	126.2 Å²	126.2	59%	0.589	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-93	-0.3	-175.9	-63.6	-158.8	-165	-157	7.8	115.9	F388 E403	F388-R406 VanDerWaalsContact CZ-O 3.24Å; F388-R406 WeakPolarHBondContact CZ-O 3.35Å; E403-R406 VanDerWaalsContact CD-NH2 3.29Å; E403-R406 IonicContact OE1-CZ 3.62Å; E403-R406 IonicContact OE1-NH2 2.76Å; E403-R406 PolarHBondContact OE1-NH2 3.31Å; E403-R406 IonicContact OE2-CZ 3.94Å; E403-R406 IonicContact OE2-NE 3.19Å; E403-R406 PolarHBondContact OE2-NE 2.87Å; E403-R406 IonicContact OE2-NH2 2.99Å; E403-R406 PolarHBondContact OE2-NH2 2.84Å
407	F	32.4	Very low	35.7	Very low	158 Å²	158	120.6 Å²	120.6	69%	0.693	63%	0.633	S	S	*	*			trans	-138.3	107.6	-174.7	-60.5	-77.8	0	0	0	112.8	F388	F388-F407 HydrophobicContact CE1-CD1 4.22Å
408	S	35.3	Very low	36.7	Very low	72 Å²	72	116.1 Å²	116.1	50%	0.503	62%	0.615	S	S	.	*			trans	-92	115.1	167.7	46.5	0	0	0	0	110.1
409	V	39	Very low	37.9	Very low	129 Å²	129	113.4 Å²	113.4	78%	0.782	62%	0.62	S	S	*	*			trans	-82.9	119.4	172.7	179.7	0	0	0	0	108.5	P411	V409-P411 VanDerWaalsContact O-CD 3.3Å; V409-P411 WeakPolarHBondContact O-CD 3.27Å
410	L	39.1	Very low	39.1	Very low	49 Å²	49	111.7 Å²	111.7	26%	0.257	60%	0.602	S	S	.	*			trans	-96.8	104.7	173	-70	175.8	0	0	0	109.9	I412 I457 M464	L410-I412 VanDerWaalsContact C-N 3.26Å; L410-I412 HydrophobicContact CB-CD1 4.12Å; L410-I412 HydrophobicContact CB-CG1 4.01Å; L410-I412 PolarHBondContact O-N 2.92Å; L410-I457 HydrophobicContact CD1-CG2 4.36Å; L410-M464 WeakPolarHBondContact CD2-O 3.12Å
411	P	39.6	Very low	40.4	Very low	113 Å²	113	107.4 Å²	107.4	73%	0.734	58%	0.584	S	S	*	*			trans	-80	70.9	-178.6	34.1	-36.4	0	0	0	111.2	V409 P413	V409-P411 VanDerWaalsContact O-CD 3.3Å; V409-P411 WeakPolarHBondContact O-CD 3.27Å; P411-P413 WeakPolarHBondContact O-CD 3.34Å
412	I	41	Very low	41.8	Very low	39 Å²	39	102.7 Å²	102.7	20%	0.2	56%	0.558	C	S	.	*			trans	-80.3	123.3	-174.5	-58.3	175.8	0	0	0	110.7	L410 L414 I457 I469	L410-I412 VanDerWaalsContact C-N 3.26Å; L410-I412 HydrophobicContact CB-CD1 4.12Å; L410-I412 HydrophobicContact CB-CG1 4.01Å; L410-I412 PolarHBondContact O-N 2.92Å; I412-L414 HydrophobicContact CG2-CD2 4.14Å; I412-L414 PolarHBondContact O-N 3.26Å; I412-L414 VanDerWaalsContact O-N 3.08Å; I412-I457 HydrophobicContact CD1-CD1 3.61Å; I412-I457 HydrophobicContact CD1-CG1 4.06Å; I412-I457 HydrophobicContact CD1-CG2 4.37Å; I412-I469 HydrophobicContact CD1-CG1 4.3Å; I412-I469 HydrophobicContact CG2-CB 4.29Å; I412-I469 HydrophobicContact CG2-CD1 3.58Å; I412-I469 HydrophobicContact CG2-CG1 3.74Å
413	P	41.6	Very low	43.3	Very low	105 Å²	105	96.6 Å²	96.6	68%	0.682	54%	0.536	S	S	*	.			trans	-75.1	99.5	177.6	29.9	-33.8	0	0	0	111	P411 T415	P411-P413 WeakPolarHBondContact O-CD 3.34Å; P413-T415 HydrophobicContact CB-CG2 4.34Å; P413-T415 PolarHBondContact O-N 2.84Å
414	L	48.4	Very low	44.5	Very low	92 Å²	92	93.6 Å²	93.6	48%	0.482	52%	0.522	S	S	.	.			trans	-72.3	35.5	-177.9	-56.3	179.6	0	0	0	114.4	I412 K416 L417 I469	I412-L414 HydrophobicContact CG2-CD2 4.14Å; I412-L414 PolarHBondContact O-N 3.26Å; I412-L414 VanDerWaalsContact O-N 3.08Å; L414-K416 PolarHBondContact O-N 3.31Å; L414-K416 VanDerWaalsContact O-N 3.13Å; L414-L417 HydrophobicContact CB-CD1 4.21Å; L414-L417 HydrophobicContact CD2-CD1 4.06Å; L414-L417 HydrophobicContact CG-CD1 4.5Å; L414-L417 PolarHBondContact O-N 3.24Å; L414-I469 HydrophobicContact CD2-CD1 4.15Å
415	T	42	Very low	45.8	Very low	127 Å²	127	91 Å²	91	78%	0.779	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.4	-172.4	53.8	0	0	0	0	114.7	P413	P413-T415 HydrophobicContact CB-CG2 4.34Å; P413-T415 PolarHBondContact O-N 2.84Å
416	K	42.2	Very low	47	Very low	164 Å²	164	84.5 Å²	84.5	71%	0.713	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.2	175.1	-69.5	-178.3	178.4	175.2	0	114	L414	L414-K416 PolarHBondContact O-N 3.31Å; L414-K416 VanDerWaalsContact O-N 3.13Å
417	L	49.4	Very low	48.3	Very low	36 Å²	36	79.5 Å²	79.5	19%	0.188	46%	0.458	C	S	.	.	S	Bend	trans	-99.9	129.9	-177.6	-75.2	160.9	0	0	0	111.1	L414 F422 V453 M455 V472	L414-L417 HydrophobicContact CB-CD1 4.21Å; L414-L417 HydrophobicContact CD2-CD1 4.06Å; L414-L417 HydrophobicContact CG-CD1 4.5Å; L414-L417 PolarHBondContact O-N 3.24Å; L417-F422 HydrophobicContact CD1-CE2 4.03Å; L417-F422 HydrophobicContact CD1-CZ 3.89Å; L417-F422 HydrophobicContact CD2-CZ 4.24Å; L417-V453 HydrophobicContact CD2-CG1 4.18Å; L417-V453 HydrophobicContact CD2-CG2 3.98Å; L417-M455 HydrophobicContact CD1-SD 3.79Å; L417-V472 HydrophobicContact CD2-CG1 4.35Å
418	S	50.5	Low	49.7	Very low	59 Å²	59	72.6 Å²	72.6	41%	0.413	43%	0.429	S	S	.	.			trans	-55.5	152.3	168.7	63.8	0	0	0	0	110.7	R420	S418-R420 PolarHBondContact O-N 3.42Å
419	S	49.9	Very low	51.1	Low	135 Å²	135	73.9 Å²	73.9	94%	0.944	43%	0.426	S	S	*	.	S	Bend	trans	-61.5	16.2	-177.2	53	0	0	0	0	117.2
420	R	55.5	Low	51.9	Low	66 Å²	66	67.8 Å²	67.8	25%	0.249	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-76.4	129.5	171.7	-56.1	175.7	-164.7	172.3	6.3	109	S418 L442 T445 S448	S418-R420 PolarHBondContact O-N 3.42Å; R420-L442 HydrophobicContact CB-CB 4.35Å; R420-L442 HydrophobicContact CB-CD2 4.28Å; R420-T445 HydrophobicContact CG-CG2 3.9Å; R420-T445 VanDerWaalsContact CZ-OG1 3.3Å; R420-T445 PolarHBondContact NE-OG1 3.4Å; R420-T445 PolarHBondContact NH2-OG1 2.87Å; R420-S448 PolarHBondContact NH1-OG 2.87Å; R420-S448 PolarHBondContact NH2-OG 2.9Å; R420-S448 VanDerWaalsContact NH2-OG 3.09Å
421	S	54.5	Low	52.6	Low	64 Å²	64	70.5 Å²	70.5	45%	0.448	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-73	149.5	169.8	48.8	0	0	0	0	111.3	L443	S421-L443 PolarHBondContact O-N 2.83Å; S421-L443 VanDerWaalsContact OG-CD1 3.3Å; S421-L443 WeakPolarHBondContact OG-CD1 3.19Å
422	F	58.7	Low	53.2	Low	40 Å²	40	68.8 Å²	68.8	18%	0.175	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.7	165.6	-67.3	-84.5	0	0	0	110	L417 L425 R441 L442 V453 M455	L417-F422 HydrophobicContact CD1-CE2 4.03Å; L417-F422 HydrophobicContact CD1-CZ 3.89Å; L417-F422 HydrophobicContact CD2-CZ 4.24Å; F422-L425 HydrophobicContact CB-CD1 4.19Å; F422-L425 HydrophobicContact CB-CD2 4.45Å; F422-L425 HydrophobicContact CB-CG 4.07Å; F422-L425 HydrophobicContact CD1-CD2 3.81Å; F422-L425 HydrophobicContact CD1-CG 4.3Å; F422-L425 HydrophobicContact CE1-CD2 4.21Å; F422-L425 HydrophobicContact CG-CD1 4.39Å; F422-L425 HydrophobicContact CG-CD2 4.03Å; F422-L425 HydrophobicContact CG-CG 4.19Å; F422-R441 CarbonylContact C-O 3.56Å; F422-R441 VanDerWaalsContact CA-O 3.32Å; F422-R441 WeakPolarHBondContact CA-O 3.38Å; F422-L442 HydrophobicContact CD1-CD2 3.71Å; F422-L442 HydrophobicContact CD1-CG 4.46Å; F422-L442 HydrophobicContact CD2-CD2 4.32Å; F422-L442 HydrophobicContact CE1-CD2 3.49Å; F422-L442 VanDerWaalsContact CE1-CD2 3.49Å; F422-L442 HydrophobicContact CE1-CG 4.2Å; F422-L442 HydrophobicContact CE2-CD2 4.13Å; F422-L442 HydrophobicContact CG-CD2 4.12Å; F422-L442 HydrophobicContact CZ-CD2 3.71Å; F422-V453 HydrophobicContact CE1-CB 4.37Å; F422-M455 HydrophobicContact CE1-CE 3.98Å; F422-M455 HydrophobicContact CE2-CE 4.09Å; F422-M455 HydrophobicContact CZ-CE 3.48Å; F422-M455 VanDerWaalsContact CZ-CE 3.48Å; F422-M455 HydrophobicContact CZ-SD 4.48Å
423	C	56.4	Low	54	Low	51 Å²	51	68.8 Å²	68.8	35%	0.345	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-30.2	168.8	50.2	0	0	0	0	112.2	R441 L443	C423-R441 PolarHBondContact N-O 3.01Å; C423-R441 PolarHBondContact SG-O 3.02Å; C423-L443 HydrophobicContact CB-CD2 3.8Å; C423-L443 HydrophobicContact CB-CG 4.31Å
424	E	59.6	Low	55	Low	34 Å²	34	69 Å²	69	16%	0.159	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.6	173.7	-67.4	161.7	-168.6	0	0	110	G440 R441 S485 I486 A614	E424-G440 CarbonylContact O-C 3.49Å; E424-G440 VanDerWaalsContact O-CA 3.31Å; E424-G440 WeakPolarHBondContact O-CA 3.3Å; E424-R441 HydrophobicContact CB-CB 3.98Å; E424-R441 VanDerWaalsContact CD-NH2 3.27Å; E424-R441 PolarHBondContact N-O 3.02Å; E424-R441 PolarHBondContact O-N 3.07Å; E424-R441 IonicContact OE1-CZ 2.76Å; E424-R441 IonicContact OE1-NE 3.82Å; E424-R441 PolarHBondContact OE1-NE 3.25Å; E424-R441 IonicContact OE1-NH2 3.67Å; E424-R441 PolarHBondContact OE1-NH2 3.15Å; E424-R441 IonicContact OE2-CZ 2.91Å; E424-R441 IonicContact OE2-NE 2.65Å; E424-R441 PolarHBondContact OE2-NE 3.14Å; E424-R441 IonicContact OE2-NH2 2.68Å; E424-S485 VanDerWaalsContact OE2-CA 3.32Å; E424-S485 WeakPolarHBondContact OE2-CA 3.41Å; E424-I486 HydrophobicContact CB-CD1 4.37Å; E424-I486 HydrophobicContact CB-CG1 4.03Å; E424-I486 PolarHBondContact OE2-N 3.31Å; E424-I486 VanDerWaalsContact OE2-N 3.09Å; E424-A614 HydrophobicContact CB-CB 4.37Å; E424-A614 HydrophobicContact CG-CB 3.66Å
425	L	58.6	Low	55.9	Low	66 Å²	66	65.2 Å²	65.2	35%	0.346	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.6	174.3	-77.1	163.8	0	0	0	107.8	F422 I438 M455	F422-L425 HydrophobicContact CB-CD1 4.19Å; F422-L425 HydrophobicContact CB-CD2 4.45Å; F422-L425 HydrophobicContact CB-CG 4.07Å; F422-L425 HydrophobicContact CD1-CD2 3.81Å; F422-L425 HydrophobicContact CD1-CG 4.3Å; F422-L425 HydrophobicContact CE1-CD2 4.21Å; F422-L425 HydrophobicContact CG-CD1 4.39Å; F422-L425 HydrophobicContact CG-CD2 4.03Å; F422-L425 HydrophobicContact CG-CG 4.19Å; L425-I438 HydrophobicContact CD2-CG2 3.74Å; L425-M455 HydrophobicContact CD2-CE 4.37Å
426	D	59.2	Low	57.2	Low	19 Å²	19	61.4 Å²	61.4	10%	0.102	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.3	171.6	-158.9	-3.4	0	0	0	109.4	I438 V439 C487 M488 P615	D426-I438 CarbonylContact O-C 3.57Å; D426-I438 WeakPolarHBondContact O-CA 3.49Å; D426-V439 PolarHBondContact N-O 3.03Å; D426-V439 PolarHBondContact O-N 3.16Å; D426-C487 VanDerWaalsContact OD2-CA 3.24Å; D426-C487 WeakPolarHBondContact OD2-CA 3.31Å; D426-M488 HydrophobicContact CB-CB 4.28Å; D426-M488 PolarHBondContact OD2-N 3.31Å; D426-P615 HydrophobicContact CB-CB 4.33Å
427	A	61.8	Low	58.4	Low	51 Å²	51	53.7 Å²	53.7	42%	0.421	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147	-169	0	0	0	0	0	114.1	I436 D437 I438	A427-I436 HydrophobicContact CB-CG2 4.29Å; A427-D437 CarbonylContact C-O 3.56Å; A427-D437 VanDerWaalsContact CA-O 3.32Å; A427-D437 WeakPolarHBondContact CA-O 3.39Å; A427-I438 HydrophobicContact CB-CG1 4.05Å
428	C	62.2	Low	59.3	Low	13 Å²	13	53 Å²	53	9%	0.088	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.3	-175	177.8	0	0	0	0	110.1	D437 M488 R490	C428-D437 HydrophobicContact CB-CB 4.5Å; C428-D437 PolarHBondContact N-O 2.98Å; C428-D437 PolarHBondContact O-N 3.41Å; C428-M488 HydrophobicContact CB-CE 3.5Å; C428-M488 VanDerWaalsContact CB-CE 3.5Å; C428-M488 HydrophobicContact CB-CG 4Å; C428-M488 HydrophobicContact CB-SD 3.55Å; C428-M488 VanDerWaalsContact CB-SD 3.55Å; C428-R490 WeakPolarHBondContact SG-CB 3.21Å
429	F	62.8	Low	60.1	Low	99 Å²	99	50.3 Å²	50.3	43%	0.434	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.5	176.2	-174.9	-108.3	0	0	0	111.5	E431 I436 R490	F429-E431 HydrophobicContact CD1-CG 3.88Å; F429-E431 HydrophobicContact CE1-CB 4.39Å; F429-E431 HydrophobicContact CE1-CG 3.73Å; F429-I436 HydrophobicContact CD2-CG1 3.93Å; F429-R490 WeakPolarHBondContact O-CD 3Å; F429-R490 PolarHBondContact O-NH1 2.96Å
430	S	57.7	Low	60.8	Low	1 Å²	1	43.9 Å²	43.9	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	96.8	177.8	-179.3	0	0	0	0	110.5	S432 S433 E434 N435	S430-S432 PolarHBondContact O-N 2.98Å; S430-S432 VanDerWaalsContact O-N 3.14Å; S430-S432 PolarHBondContact OG-OG 3.07Å; S430-S433 VanDerWaalsContact CB-OG 3.24Å; S430-S433 WeakPolarHBondContact CB-OG 3.45Å; S430-S433 PolarHBondContact O-N 3.03Å; S430-S433 VanDerWaalsContact O-N 3.09Å; S430-S433 PolarHBondContact OG-OG 2.86Å; S430-E434 PolarHBondContact O-N 2.89Å; S430-N435 PolarHBondContact N-O 2.85Å; S430-N435 VanDerWaalsContact N-O 3.08Å
431	E	53.1	Low	61.4	Low	106 Å²	106	41.9 Å²	41.9	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.3	179.3	-67.2	154.9	135.3	0	0	112.8	F429 S433 R490	F429-E431 HydrophobicContact CD1-CG 3.88Å; F429-E431 HydrophobicContact CE1-CB 4.39Å; F429-E431 HydrophobicContact CE1-CG 3.73Å; E431-S433 VanDerWaalsContact C-N 3.31Å; E431-S433 PolarHBondContact O-N 2.89Å; E431-R490 IonicContact OE2-CZ 2.74Å; E431-R490 IonicContact OE2-NH1 2.69Å; E431-R490 PolarHBondContact OE2-NH1 2.87Å; E431-R490 IonicContact OE2-NH2 3.66Å; E431-R490 PolarHBondContact OE2-NH2 2.88Å
432	S	52.4	Low	62	Low	78 Å²	78	39 Å²	39	55%	0.545	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.4	-179.1	59.1	0	0	0	0	114.6	S430	S430-S432 PolarHBondContact O-N 2.98Å; S430-S432 VanDerWaalsContact O-N 3.14Å; S430-S432 PolarHBondContact OG-OG 3.07Å
433	S	58	Low	62.2	Low	38 Å²	38	41 Å²	41	27%	0.266	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.3	6.1	-176.5	56.1	0	0	0	0	115.8	S430 E431 N435	S430-S433 VanDerWaalsContact CB-OG 3.24Å; S430-S433 WeakPolarHBondContact CB-OG 3.45Å; S430-S433 PolarHBondContact O-N 3.03Å; S430-S433 VanDerWaalsContact O-N 3.09Å; S430-S433 PolarHBondContact OG-OG 2.86Å; E431-S433 VanDerWaalsContact C-N 3.31Å; E431-S433 PolarHBondContact O-N 2.89Å; S433-N435 VanDerWaalsContact O-CG 3.26Å; S433-N435 PolarHBondContact O-N 2.78Å; S433-N435 PolarHBondContact O-OD1 2.84Å
434	E	62.5	Low	62.3	Low	111 Å²	111	41.3 Å²	41.3	52%	0.519	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	12.1	-176.4	-54.9	172.2	157.1	0	0	114.1	S430 K458 V459	S430-E434 PolarHBondContact O-N 2.89Å; E434-K458 VanDerWaalsContact OE2-CE 3.28Å; E434-K458 WeakPolarHBondContact OE2-CE 3.21Å; E434-K458 IonicContact OE2-NZ 3.44Å; E434-K458 PolarHBondContact OE2-NZ 3.21Å; E434-V459 PolarHBondContact O-N 3.17Å; E434-V459 VanDerWaalsContact O-N 3.13Å
435	N	66.6	Low	62.3	Low	12 Å²	12	42.4 Å²	42.4	6%	0.064	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.7	-170.2	-74.2	-6.6	0	0	0	110.7	S430 S433 I457 K458	S430-N435 PolarHBondContact N-O 2.85Å; S430-N435 VanDerWaalsContact N-O 3.08Å; S433-N435 VanDerWaalsContact O-CG 3.26Å; S433-N435 PolarHBondContact O-N 2.78Å; S433-N435 PolarHBondContact O-OD1 2.84Å; N435-I457 CarbonylContact C-O 3.56Å; N435-I457 WeakPolarHBondContact CA-O 3.37Å; N435-K458 WeakPolarHBondContact OD1-CA 3.38Å; N435-K458 WeakPolarHBondContact OD1-CB 3.46Å; N435-K458 WeakPolarHBondContact OD1-CG 3.2Å
436	I	68.5	Low	61.9	Low	47 Å²	47	46.2 Å²	46.2	24%	0.241	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115.8	161.1	-57.8	164.5	0	0	0	107	A427 F429 I438 I457 V459	A427-I436 HydrophobicContact CB-CG2 4.29Å; F429-I436 HydrophobicContact CD2-CG1 3.93Å; I436-I438 HydrophobicContact CG2-CD1 4.36Å; I436-I438 HydrophobicContact CG2-CG1 3.84Å; I436-I457 HydrophobicContact CB-CB 4.41Å; I436-I457 PolarHBondContact N-O 3.35Å; I436-I457 PolarHBondContact O-N 3.33Å; I436-V459 HydrophobicContact CD1-CG2 3.54Å; I436-V459 HydrophobicContact CG1-CG2 3.78Å
437	D	67.7	Low	61.5	Low	2 Å²	2	49 Å²	49	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131	165.2	-75.2	-51.7	0	0	0	109.8	A427 C428 R454 Q456 M488	A427-D437 CarbonylContact C-O 3.56Å; A427-D437 VanDerWaalsContact CA-O 3.32Å; A427-D437 WeakPolarHBondContact CA-O 3.39Å; C428-D437 HydrophobicContact CB-CB 4.5Å; C428-D437 PolarHBondContact N-O 2.98Å; C428-D437 PolarHBondContact O-N 3.41Å; D437-R454 IonicContact OD1-CZ 2.9Å; D437-R454 IonicContact OD1-NE 3.86Å; D437-R454 PolarHBondContact OD1-NE 2.92Å; D437-R454 IonicContact OD1-NH2 3.16Å; D437-R454 PolarHBondContact OD1-NH2 2.76Å; D437-R454 IonicContact OD2-CZ 3.44Å; D437-R454 IonicContact OD2-NE 2.73Å; D437-R454 IonicContact OD2-NH2 3.41Å; D437-R454 PolarHBondContact OD2-NH2 3.07Å; D437-Q456 VanDerWaalsContact OD1-CG 3.3Å; D437-Q456 WeakPolarHBondContact OD1-CG 3.28Å; D437-Q456 PolarHBondContact OD1-NE2 2.8Å; D437-M488 HydrophobicContact CB-CE 3.57Å; D437-M488 HydrophobicContact CB-SD 4.22Å
438	I	68.4	Low	61.2	Low	22 Å²	22	47.7 Å²	47.7	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.2	175.3	-58.9	-172.3	0	0	0	108.3	L425 D426 A427 I436 R454 M455 I457	L425-I438 HydrophobicContact CD2-CG2 3.74Å; D426-I438 CarbonylContact O-C 3.57Å; D426-I438 WeakPolarHBondContact O-CA 3.49Å; A427-I438 HydrophobicContact CB-CG1 4.05Å; I436-I438 HydrophobicContact CG2-CD1 4.36Å; I436-I438 HydrophobicContact CG2-CG1 3.84Å; I438-R454 CarbonylContact O-C 3.5Å; I438-R454 VanDerWaalsContact O-CA 3.28Å; I438-R454 WeakPolarHBondContact O-CA 3.19Å; I438-M455 HydrophobicContact CB-CB 4.48Å; I438-M455 HydrophobicContact CG2-CE 4.39Å; I438-M455 PolarHBondContact N-O 2.71Å; I438-M455 PolarHBondContact O-N 3.16Å; I438-I457 HydrophobicContact CD1-CD1 3.53Å; I438-I457 HydrophobicContact CD1-CG1 4.35Å; I438-I457 HydrophobicContact CG1-CD1 4.47Å
439	V	66.8	Low	60.8	Low	1 Å²	1	53.3 Å²	53.3	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126	172.1	179.9	0	0	0	0	108.7	D426 I452 V453 R454 I475 I486 M488 W496 M498	D426-V439 PolarHBondContact N-O 3.03Å; D426-V439 PolarHBondContact O-N 3.16Å; V439-I452 HydrophobicContact CG1-CG2 3.47Å; V439-I452 VanDerWaalsContact CG1-CG2 3.47Å; V439-V453 CarbonylContact C-O 3.45Å; V439-V453 WeakPolarHBondContact CA-O 3.49Å; V439-R454 HydrophobicContact CG2-CB 4.29Å; V439-R454 HydrophobicContact CG2-CG 4.33Å; V439-I475 HydrophobicContact CG1-CD1 4.3Å; V439-I475 HydrophobicContact CG2-CD1 4.41Å; V439-I486 HydrophobicContact CG1-CD1 3.91Å; V439-I486 WeakPolarHBondContact O-CD1 3.35Å; V439-M488 HydrophobicContact CB-SD 4.29Å; V439-M488 HydrophobicContact CG2-CE 4.44Å; V439-M488 HydrophobicContact CG2-CG 4.42Å; V439-M488 HydrophobicContact CG2-SD 3.57Å; V439-M488 VanDerWaalsContact CG2-SD 3.57Å; V439-W496 HydrophobicContact CG2-CZ3 4.13Å; V439-M498 HydrophobicContact CG1-SD 3.9Å
440	G	65	Low	60.4	Low	0 Å²	0	51 Å²	51	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.8	-174.2	0	0	0	0	0	112.9	E424 I452 V453	E424-G440 CarbonylContact O-C 3.49Å; E424-G440 VanDerWaalsContact O-CA 3.31Å; E424-G440 WeakPolarHBondContact O-CA 3.3Å; G440-I452 WeakPolarHBondContact O-CA 3.38Å; G440-V453 PolarHBondContact N-O 3.26Å; G440-V453 PolarHBondContact O-N 3.36Å
441	R	69.2	Low	60.8	Low	25 Å²	25	51.1 Å²	51.1	9%	0.094	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.6	171.3	-160.2	166.1	64.6	93.3	3.9	109.4	F422 C423 E424 N451 V483 T484 I486	F422-R441 CarbonylContact C-O 3.56Å; F422-R441 VanDerWaalsContact CA-O 3.32Å; F422-R441 WeakPolarHBondContact CA-O 3.38Å; C423-R441 PolarHBondContact N-O 3.01Å; C423-R441 PolarHBondContact SG-O 3.02Å; E424-R441 HydrophobicContact CB-CB 3.98Å; E424-R441 VanDerWaalsContact CD-NH2 3.27Å; E424-R441 PolarHBondContact N-O 3.02Å; E424-R441 PolarHBondContact O-N 3.07Å; E424-R441 IonicContact OE1-CZ 2.76Å; E424-R441 IonicContact OE1-NE 3.82Å; E424-R441 PolarHBondContact OE1-NE 3.25Å; E424-R441 IonicContact OE1-NH2 3.67Å; E424-R441 PolarHBondContact OE1-NH2 3.15Å; E424-R441 IonicContact OE2-CZ 2.91Å; E424-R441 IonicContact OE2-NE 2.65Å; E424-R441 PolarHBondContact OE2-NE 3.14Å; E424-R441 IonicContact OE2-NH2 2.68Å; R441-N451 CarbonylContact C-O 3.52Å; R441-N451 VanDerWaalsContact CA-O 3.26Å; R441-N451 WeakPolarHBondContact CA-O 3.46Å; R441-V483 PolarHBondContact NH1-O 2.65Å; R441-T484 PolarHBondContact NH2-O 3.27Å; R441-I486 HydrophobicContact CB-CD1 4Å; R441-I486 HydrophobicContact CB-CG1 4.16Å
442	L	66.3	Low	61.5	Low	4 Å²	4	46.2 Å²	46.2	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	150.9	173.4	-63.9	174.9	0	0	0	110.3	R420 F422 N451 V453	R420-L442 HydrophobicContact CB-CB 4.35Å; R420-L442 HydrophobicContact CB-CD2 4.28Å; F422-L442 HydrophobicContact CD1-CD2 3.71Å; F422-L442 HydrophobicContact CD1-CG 4.46Å; F422-L442 HydrophobicContact CD2-CD2 4.32Å; F422-L442 HydrophobicContact CE1-CD2 3.49Å; F422-L442 VanDerWaalsContact CE1-CD2 3.49Å; F422-L442 HydrophobicContact CE1-CG 4.2Å; F422-L442 HydrophobicContact CE2-CD2 4.13Å; F422-L442 HydrophobicContact CG-CD2 4.12Å; F422-L442 HydrophobicContact CZ-CD2 3.71Å; L442-N451 PolarHBondContact N-O 3.33Å; L442-V453 HydrophobicContact CD1-CG2 3.73Å; L442-V453 HydrophobicContact CG-CG2 4.11Å
443	L	63.6	Low	62.4	Low	82 Å²	82	42.5 Å²	42.5	43%	0.429	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-58.2	135.2	165.7	-76.7	-177.9	0	0	0	110.6	S421 C423	S421-L443 PolarHBondContact O-N 2.83Å; S421-L443 VanDerWaalsContact OG-CD1 3.3Å; S421-L443 WeakPolarHBondContact OG-CD1 3.19Å; C423-L443 HydrophobicContact CB-CD2 3.8Å; C423-L443 HydrophobicContact CB-CG 4.31Å
444	P	58.4	Low	63	Low	56 Å²	56	40.9 Å²	40.9	36%	0.364	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.4	148.7	177	30.3	-36.9	0	0	0	110.6	Y482	P444-Y482 HydrophobicContact CB-CE2 3.88Å; P444-Y482 HydrophobicContact CG-CE2 3.92Å
445	T	58.7	Low	63.6	Low	58 Å²	58	36.2 Å²	36.2	36%	0.356	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-127.7	153.1	173.3	54.8	0	0	0	0	109.4	R420 G447 S448	R420-T445 HydrophobicContact CG-CG2 3.9Å; R420-T445 VanDerWaalsContact CZ-OG1 3.3Å; R420-T445 PolarHBondContact NE-OG1 3.4Å; R420-T445 PolarHBondContact NH2-OG1 2.87Å; T445-G447 PolarHBondContact O-N 3.36Å; T445-S448 PolarHBondContact O-N 3.24Å; T445-S448 WeakPolarHBondContact OG1-CB 3.44Å
446	S	51.1	Low	63.8	Low	145 Å²	145	36.6 Å²	36.6	100%	1.014	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	-172	45.3	0	0	0	0	115.4
447	G	51.5	Low	63.9	Low	77 Å²	77	35 Å²	35	79%	0.794	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	9.6	176.4	0	0	0	0	0	115.8	T445	T445-G447 PolarHBondContact O-N 3.36Å
448	S	54	Low	64.2	Low	25 Å²	25	38.7 Å²	38.7	18%	0.175	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-148	108.5	-172.6	-171.6	0	0	0	0	112.8	R420 T445	R420-S448 PolarHBondContact NH1-OG 2.87Å; R420-S448 PolarHBondContact NH2-OG 2.9Å; R420-S448 VanDerWaalsContact NH2-OG 3.09Å; T445-S448 PolarHBondContact O-N 3.24Å; T445-S448 WeakPolarHBondContact OG1-CB 3.44Å
449	K	53.3	Low	64.1	Low	131 Å²	131	38.9 Å²	38.9	57%	0.57	23%	0.234	S	C	*	.			trans	-81.3	-26.1	176.8	-65.1	-178.8	173.9	-170.2	0	113.3	N451 S479	K449-N451 PolarHBondContact O-N 3.4Å; K449-S479 WeakPolarHBondContact CD-O 3.36Å
450	T	55.6	Low	64	Low	51 Å²	51	41.5 Å²	41.5	31%	0.313	25%	0.248	S	C	.	.			trans	-69.8	112	172.7	37.6	0	0	0	0	110.4
451	N	65.4	Low	63.8	Low	3 Å²	3	50 Å²	50	2%	0.016	29%	0.287	C	S	.	.			trans	-128.7	8.3	-175.1	70	-22.6	0	0	0	115	R441 L442 K449 V483	R441-N451 CarbonylContact C-O 3.52Å; R441-N451 VanDerWaalsContact CA-O 3.26Å; R441-N451 WeakPolarHBondContact CA-O 3.46Å; L442-N451 PolarHBondContact N-O 3.33Å; K449-N451 PolarHBondContact O-N 3.4Å; N451-V483 PolarHBondContact ND2-O 3.22Å; N451-V483 WeakPolarHBondContact OD1-CB 3.48Å
452	I	68.1	Low	63.1	Low	2 Å²	2	57.1 Å²	57.1	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.4	171.2	-56.8	179.2	0	0	0	110.9	V439 G440 I475 I477 V483 I486 M498	V439-I452 HydrophobicContact CG1-CG2 3.47Å; V439-I452 VanDerWaalsContact CG1-CG2 3.47Å; G440-I452 WeakPolarHBondContact O-CA 3.38Å; I452-I475 HydrophobicContact CB-CB 4.14Å; I452-I475 HydrophobicContact CG2-CB 3.93Å; I452-I475 HydrophobicContact CG2-CD1 3.85Å; I452-I475 HydrophobicContact CG2-CG1 4.18Å; I452-I475 PolarHBondContact O-N 3.26Å; I452-I475 VanDerWaalsContact O-N 3.07Å; I452-I477 HydrophobicContact CB-CD1 3.92Å; I452-I477 HydrophobicContact CD1-CD1 3.53Å; I452-I477 HydrophobicContact CD1-CG1 4.1Å; I452-I477 HydrophobicContact CG1-CD1 3.69Å; I452-V483 HydrophobicContact CD1-CG1 4.11Å; I452-V483 HydrophobicContact CD1-CG2 4.12Å; I452-V483 HydrophobicContact CG1-CG1 4.44Å; I452-V483 HydrophobicContact CG1-CG2 4.44Å; I452-I486 HydrophobicContact CD1-CG2 3.5Å; I452-I486 VanDerWaalsContact CD1-CG2 3.5Å; I452-I486 HydrophobicContact CG1-CG2 3.92Å; I452-M498 HydrophobicContact CD1-CE 3.94Å; I452-M498 HydrophobicContact CD1-SD 3.86Å; I452-M498 HydrophobicContact CG2-SD 4.17Å
453	V	70.6	Confident	62.8	Low	1 Å²	1	60.1 Å²	60.1	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	170	175.2	0	0	0	0	109	L417 F422 V439 G440 L442 M455 V472 N473 L474	L417-V453 HydrophobicContact CD2-CG1 4.18Å; L417-V453 HydrophobicContact CD2-CG2 3.98Å; F422-V453 HydrophobicContact CE1-CB 4.37Å; V439-V453 CarbonylContact C-O 3.45Å; V439-V453 WeakPolarHBondContact CA-O 3.49Å; G440-V453 PolarHBondContact N-O 3.26Å; G440-V453 PolarHBondContact O-N 3.36Å; L442-V453 HydrophobicContact CD1-CG2 3.73Å; L442-V453 HydrophobicContact CG-CG2 4.11Å; V453-M455 HydrophobicContact CG1-CG 3.89Å; V453-V472 HydrophobicContact CG1-CG1 3.72Å; V453-N473 CarbonylContact C-O 3.52Å; V453-N473 WeakPolarHBondContact CA-O 3.49Å; V453-L474 HydrophobicContact CG2-CD2 3.76Å
454	R	72.6	Confident	62.5	Low	4 Å²	4	59.6 Å²	59.6	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.8	155.8	-179.8	175.6	171.6	-162.7	8.3	109.1	D437 I438 V439 Q456 V472 N473 I475 W496 T521	D437-R454 IonicContact OD1-CZ 2.9Å; D437-R454 IonicContact OD1-NE 3.86Å; D437-R454 PolarHBondContact OD1-NE 2.92Å; D437-R454 IonicContact OD1-NH2 3.16Å; D437-R454 PolarHBondContact OD1-NH2 2.76Å; D437-R454 IonicContact OD2-CZ 3.44Å; D437-R454 IonicContact OD2-NE 2.73Å; D437-R454 IonicContact OD2-NH2 3.41Å; D437-R454 PolarHBondContact OD2-NH2 3.07Å; I438-R454 CarbonylContact O-C 3.5Å; I438-R454 VanDerWaalsContact O-CA 3.28Å; I438-R454 WeakPolarHBondContact O-CA 3.19Å; V439-R454 HydrophobicContact CG2-CB 4.29Å; V439-R454 HydrophobicContact CG2-CG 4.33Å; R454-Q456 VanDerWaalsContact NH2-NE2 3.14Å; R454-V472 CarbonylContact O-C 3.57Å; R454-V472 WeakPolarHBondContact O-CA 3.33Å; R454-N473 PolarHBondContact N-O 3.1Å; R454-N473 PolarHBondContact O-N 2.7Å; R454-I475 HydrophobicContact CB-CD1 4.13Å; R454-I475 HydrophobicContact CB-CG1 4.3Å; R454-W496 VanDerWaalsContact CZ-CE2 3.49Å; R454-W496 VanDerWaalsContact NH1-NE1 3.1Å; R454-T521 VanDerWaalsContact NH1-CB 3.25Å
455	M	73.4	Confident	62.3	Low	13 Å²	13	61 Å²	61	6%	0.064	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.9	167.5	-67.8	176.6	-84.6	0	0	108.3	L417 F422 L425 I438 V453 I469 N471 V472	L417-M455 HydrophobicContact CD1-SD 3.79Å; F422-M455 HydrophobicContact CE1-CE 3.98Å; F422-M455 HydrophobicContact CE2-CE 4.09Å; F422-M455 HydrophobicContact CZ-CE 3.48Å; F422-M455 VanDerWaalsContact CZ-CE 3.48Å; F422-M455 HydrophobicContact CZ-SD 4.48Å; L425-M455 HydrophobicContact CD2-CE 4.37Å; I438-M455 HydrophobicContact CB-CB 4.48Å; I438-M455 HydrophobicContact CG2-CE 4.39Å; I438-M455 PolarHBondContact N-O 2.71Å; I438-M455 PolarHBondContact O-N 3.16Å; V453-M455 HydrophobicContact CG1-CG 3.89Å; M455-I469 HydrophobicContact CB-CD1 4.29Å; M455-I469 HydrophobicContact CG-CD1 4.19Å; M455-I469 HydrophobicContact SD-CD1 3.73Å; M455-N471 WeakPolarHBondContact CA-O 3.4Å; M455-V472 HydrophobicContact CG-CG1 4.11Å; M455-V472 HydrophobicContact CG-CG2 4.19Å
456	Q	72.2	Confident	62.4	Low	19 Å²	19	63 Å²	63	9%	0.089	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115	173	-49.6	-163.8	-92.1	0	0	107.6	D437 R454 I469 D470 N471	D437-Q456 VanDerWaalsContact OD1-CG 3.3Å; D437-Q456 WeakPolarHBondContact OD1-CG 3.28Å; D437-Q456 PolarHBondContact OD1-NE2 2.8Å; R454-Q456 VanDerWaalsContact NH2-NE2 3.14Å; Q456-I469 CarbonylContact O-C 3.53Å; Q456-I469 WeakPolarHBondContact O-CA 3.18Å; Q456-D470 PolarHBondContact O-N 3.32Å; Q456-N471 HydrophobicContact CB-CB 4.14Å; Q456-N471 HydrophobicContact CG-CB 3.95Å; Q456-N471 PolarHBondContact N-O 3.23Å; Q456-N471 PolarHBondContact OE1-ND2 3.14Å
457	I	70.3	Confident	62.9	Low	14 Å²	14	56.6 Å²	56.6	7%	0.072	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.3	175.2	-59.4	177.1	0	0	0	107.9	L410 I412 N435 I436 I438 V459 C468 I469	L410-I457 HydrophobicContact CD1-CG2 4.36Å; I412-I457 HydrophobicContact CD1-CD1 3.61Å; I412-I457 HydrophobicContact CD1-CG1 4.06Å; I412-I457 HydrophobicContact CD1-CG2 4.37Å; N435-I457 CarbonylContact C-O 3.56Å; N435-I457 WeakPolarHBondContact CA-O 3.37Å; I436-I457 HydrophobicContact CB-CB 4.41Å; I436-I457 PolarHBondContact N-O 3.35Å; I436-I457 PolarHBondContact O-N 3.33Å; I438-I457 HydrophobicContact CD1-CD1 3.53Å; I438-I457 HydrophobicContact CD1-CG1 4.35Å; I438-I457 HydrophobicContact CG1-CD1 4.47Å; I457-V459 PolarHBondContact O-N 3.1Å; I457-C468 CarbonylContact C-O 3.6Å; I457-C468 VanDerWaalsContact CA-O 3.29Å; I457-C468 WeakPolarHBondContact CA-O 3.25Å; I457-I469 HydrophobicContact CG1-CG1 3.97Å
458	K	72.9	Confident	63.7	Low	79 Å²	79	55.8 Å²	55.8	34%	0.343	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.2	169	-178.3	154.1	-176.2	135.7	0	109.5	E434 N435 S467 C468 D470	E434-K458 VanDerWaalsContact OE2-CE 3.28Å; E434-K458 WeakPolarHBondContact OE2-CE 3.21Å; E434-K458 IonicContact OE2-NZ 3.44Å; E434-K458 PolarHBondContact OE2-NZ 3.21Å; N435-K458 WeakPolarHBondContact OD1-CA 3.38Å; N435-K458 WeakPolarHBondContact OD1-CB 3.46Å; N435-K458 WeakPolarHBondContact OD1-CG 3.2Å; K458-S467 CarbonylContact O-C 3.01Å; K458-S467 WeakPolarHBondContact O-CA 3.01Å; K458-S467 VanDerWaalsContact O-CB 3.24Å; K458-S467 WeakPolarHBondContact O-CB 3.43Å; K458-C468 PolarHBondContact N-O 2.79Å; K458-C468 PolarHBondContact O-N 3.07Å; K458-C468 VanDerWaalsContact O-N 3.11Å; K458-D470 HydrophobicContact CB-CB 4.39Å
459	V	67.9	Low	64.3	Low	26 Å²	26	56.6 Å²	56.6	16%	0.158	30%	0.297	C	S	.	.			trans	-87.6	131.6	179	-176.4	0	0	0	0	109	E434 I436 I457 M464	E434-V459 PolarHBondContact O-N 3.17Å; E434-V459 VanDerWaalsContact O-N 3.13Å; I436-V459 HydrophobicContact CD1-CG2 3.54Å; I436-V459 HydrophobicContact CG1-CG2 3.78Å; I457-V459 PolarHBondContact O-N 3.1Å; V459-M464 HydrophobicContact CG1-CE 4.03Å; V459-M464 HydrophobicContact CG1-SD 3.65Å
460	N	64.7	Low	65	Low	57 Å²	57	54.9 Å²	54.9	31%	0.305	29%	0.294	S	S	.	.			trans	-103.8	98.2	173.5	-173.7	-36.5	0	0	0	109.2	L462 N463 M464 N466 S467	N460-L462 VanDerWaalsContact C-N 3.25Å; N460-L462 PolarHBondContact O-N 3.17Å; N460-L462 PolarHBondContact OD1-N 3.07Å; N460-N463 WeakPolarHBondContact CB-O 3.48Å; N460-N463 CarbonylContact O-C 3.51Å; N460-N463 PolarHBondContact O-N 3.02Å; N460-N463 VanDerWaalsContact O-N 3.11Å; N460-N463 PolarHBondContact OD1-N 3.12Å; N460-N463 VanDerWaalsContact OD1-N 3.11Å; N460-M464 PolarHBondContact O-N 2.86Å; N460-N466 HydrophobicContact CB-CB 4.15Å; N460-S467 PolarHBondContact N-OG 2.83Å; N460-S467 VanDerWaalsContact N-OG 3.16Å
461	E	59	Low	65.6	Low	177 Å²	177	55.1 Å²	55.1	83%	0.827	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.4	-176	-60	-165.7	148.9	0	0	113.3	N463	E461-N463 VanDerWaalsContact C-N 3.35Å
462	L	55.7	Low	65.8	Low	175 Å²	175	56.7 Å²	56.7	92%	0.916	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-27.3	179.7	-69.6	171.1	0	0	0	112.8	N460	N460-L462 VanDerWaalsContact C-N 3.25Å; N460-L462 PolarHBondContact O-N 3.17Å; N460-L462 PolarHBondContact OD1-N 3.07Å
463	N	59	Low	65.8	Low	68 Å²	68	58.6 Å²	58.6	36%	0.364	31%	0.314	S	S	.	.			trans	-156.6	102.7	171	179.9	14.4	0	0	0	111.6	N460 E461 S465 N466	N460-N463 WeakPolarHBondContact CB-O 3.48Å; N460-N463 CarbonylContact O-C 3.51Å; N460-N463 PolarHBondContact O-N 3.02Å; N460-N463 VanDerWaalsContact O-N 3.11Å; N460-N463 PolarHBondContact OD1-N 3.12Å; N460-N463 VanDerWaalsContact OD1-N 3.11Å; E461-N463 VanDerWaalsContact C-N 3.35Å; N463-S465 PolarHBondContact ND2-OG 3.33Å; N463-S465 PolarHBondContact O-N 3.48Å; N463-S465 PolarHBondContact OD1-N 2.8Å; N463-S465 VanDerWaalsContact OD1-N 3.15Å; N463-S465 PolarHBondContact OD1-OG 3.36Å; N463-S465 VanDerWaalsContact OD1-OG 3.12Å; N463-N466 PolarHBondContact ND2-ND2 2.78Å; N463-N466 PolarHBondContact ND2-OD1 3.4Å; N463-N466 WeakPolarHBondContact O-CB 3.39Å; N463-N466 PolarHBondContact O-N 2.79Å
464	M	57.8	Low	65.6	Low	71 Å²	71	63.7 Å²	63.7	35%	0.35	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-53.2	-29.1	179.9	-68.8	-63.8	-68.1	0	0	113.9	L410 V459 N460 N466 S467	L410-M464 WeakPolarHBondContact CD2-O 3.12Å; V459-M464 HydrophobicContact CG1-CE 4.03Å; V459-M464 HydrophobicContact CG1-SD 3.65Å; N460-M464 PolarHBondContact O-N 2.86Å; M464-N466 PolarHBondContact O-N 2.78Å; M464-S467 WeakPolarHBondContact O-CB 3.07Å; M464-S467 PolarHBondContact O-N 3.03Å; M464-S467 VanDerWaalsContact O-N 3.12Å; M464-S467 PolarHBondContact O-OG 3.26Å
465	S	54	Low	65.3	Low	86 Å²	86	64 Å²	64	60%	0.601	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.6	178	80.2	0	0	0	0	113.8	N463	N463-S465 PolarHBondContact ND2-OG 3.33Å; N463-S465 PolarHBondContact O-N 3.48Å; N463-S465 PolarHBondContact OD1-N 2.8Å; N463-S465 VanDerWaalsContact OD1-N 3.15Å; N463-S465 PolarHBondContact OD1-OG 3.36Å; N463-S465 VanDerWaalsContact OD1-OG 3.12Å
466	N	61.4	Low	64.6	Low	98 Å²	98	73.3 Å²	73.3	52%	0.524	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-94.7	4.4	179.3	-64.5	-3.5	0	0	0	112.4	N460 N463 M464	N460-N466 HydrophobicContact CB-CB 4.15Å; N463-N466 PolarHBondContact ND2-ND2 2.78Å; N463-N466 PolarHBondContact ND2-OD1 3.4Å; N463-N466 WeakPolarHBondContact O-CB 3.39Å; N463-N466 PolarHBondContact O-N 2.79Å; M464-N466 PolarHBondContact O-N 2.78Å
467	S	62.2	Low	64.1	Low	12 Å²	12	73.1 Å²	73.1	8%	0.084	38%	0.376	C	S	.	.			trans	-69.1	132.9	173.7	-48.2	0	0	0	0	110	K458 N460 M464	K458-S467 CarbonylContact O-C 3.01Å; K458-S467 WeakPolarHBondContact O-CA 3.01Å; K458-S467 VanDerWaalsContact O-CB 3.24Å; K458-S467 WeakPolarHBondContact O-CB 3.43Å; N460-S467 PolarHBondContact N-OG 2.83Å; N460-S467 VanDerWaalsContact N-OG 3.16Å; M464-S467 WeakPolarHBondContact O-CB 3.07Å; M464-S467 PolarHBondContact O-N 3.03Å; M464-S467 VanDerWaalsContact O-N 3.12Å; M464-S467 PolarHBondContact O-OG 3.26Å
468	C	67.2	Low	63.4	Low	59 Å²	59	75.1 Å²	75.1	40%	0.399	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.1	-172.5	62.2	0	0	0	0	112.1	I457 K458 D470	I457-C468 CarbonylContact C-O 3.6Å; I457-C468 VanDerWaalsContact CA-O 3.29Å; I457-C468 WeakPolarHBondContact CA-O 3.25Å; K458-C468 PolarHBondContact N-O 2.79Å; K458-C468 PolarHBondContact O-N 3.07Å; K458-C468 VanDerWaalsContact O-N 3.11Å; C468-D470 PolarHBondContact O-N 3.39Å
469	I	66.8	Low	62.1	Low	42 Å²	42	76.4 Å²	76.4	22%	0.215	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.2	159.2	-81.9	178.8	0	0	0	107.7	I412 L414 M455 Q456 I457 V472	I412-I469 HydrophobicContact CD1-CG1 4.3Å; I412-I469 HydrophobicContact CG2-CB 4.29Å; I412-I469 HydrophobicContact CG2-CD1 3.58Å; I412-I469 HydrophobicContact CG2-CG1 3.74Å; L414-I469 HydrophobicContact CD2-CD1 4.15Å; M455-I469 HydrophobicContact CB-CD1 4.29Å; M455-I469 HydrophobicContact CG-CD1 4.19Å; M455-I469 HydrophobicContact SD-CD1 3.73Å; Q456-I469 CarbonylContact O-C 3.53Å; Q456-I469 WeakPolarHBondContact O-CA 3.18Å; I457-I469 HydrophobicContact CG1-CG1 3.97Å; I469-V472 HydrophobicContact CG2-CG2 3.33Å
470	D	69.1	Low	61.3	Low	96 Å²	96	76.5 Å²	76.5	51%	0.513	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-45.5	176.7	-158.2	20.8	0	0	0	109.5	Q456 K458 C468	Q456-D470 PolarHBondContact O-N 3.32Å; K458-D470 HydrophobicContact CB-CB 4.39Å; C468-D470 PolarHBondContact O-N 3.39Å
471	N	68.3	Low	61.2	Low	55 Å²	55	74.5 Å²	74.5	29%	0.294	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.3	-175.2	-154.8	-4.7	0	0	0	113.8	M455 Q456 N473	M455-N471 WeakPolarHBondContact CA-O 3.4Å; Q456-N471 HydrophobicContact CB-CB 4.14Å; Q456-N471 HydrophobicContact CG-CB 3.95Å; Q456-N471 PolarHBondContact N-O 3.23Å; Q456-N471 PolarHBondContact OE1-ND2 3.14Å; N471-N473 PolarHBondContact ND2-ND2 3.43Å; N471-N473 PolarHBondContact OD1-OD1 3.3Å
472	V	68	Low	61.4	Low	36 Å²	36	71.3 Å²	71.3	22%	0.218	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	106	175.7	-172.7	0	0	0	0	109.7	L417 V453 R454 M455 I469	L417-V472 HydrophobicContact CD2-CG1 4.35Å; V453-V472 HydrophobicContact CG1-CG1 3.72Å; R454-V472 CarbonylContact O-C 3.57Å; R454-V472 WeakPolarHBondContact O-CA 3.33Å; M455-V472 HydrophobicContact CG-CG1 4.11Å; M455-V472 HydrophobicContact CG-CG2 4.19Å; I469-V472 HydrophobicContact CG2-CG2 3.33Å
473	N	68.3	Low	61.8	Low	43 Å²	43	63.2 Å²	63.2	23%	0.23	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.6	-177.2	-74.5	-24.8	0	0	0	111.5	V453 R454 N471 I475 T521	V453-N473 CarbonylContact C-O 3.52Å; V453-N473 WeakPolarHBondContact CA-O 3.49Å; R454-N473 PolarHBondContact N-O 3.1Å; R454-N473 PolarHBondContact O-N 2.7Å; N471-N473 PolarHBondContact ND2-ND2 3.43Å; N471-N473 PolarHBondContact OD1-OD1 3.3Å; N473-I475 PolarHBondContact O-N 3.48Å; N473-T521 PolarHBondContact ND2-OG1 3.22Å
474	L	66.5	Low	61.9	Low	108 Å²	108	62.4 Å²	62.4	57%	0.565	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	112.7	169.3	-79.8	163.6	0	0	0	109.1	V453 R476	V453-L474 HydrophobicContact CG2-CD2 3.76Å; L474-R476 PolarHBondContact O-N 3.1Å
475	I	66.5	Low	62.3	Low	9 Å²	9	59.4 Å²	59.4	5%	0.046	32%	0.324	C	S	.	.			trans	-69.5	119	177.3	-65.9	-178.1	0	0	0	108.4	V439 I452 R454 N473 I477 W496 M498 Y516	V439-I475 HydrophobicContact CG1-CD1 4.3Å; V439-I475 HydrophobicContact CG2-CD1 4.41Å; I452-I475 HydrophobicContact CB-CB 4.14Å; I452-I475 HydrophobicContact CG2-CB 3.93Å; I452-I475 HydrophobicContact CG2-CD1 3.85Å; I452-I475 HydrophobicContact CG2-CG1 4.18Å; I452-I475 PolarHBondContact O-N 3.26Å; I452-I475 VanDerWaalsContact O-N 3.07Å; R454-I475 HydrophobicContact CB-CD1 4.13Å; R454-I475 HydrophobicContact CB-CG1 4.3Å; N473-I475 PolarHBondContact O-N 3.48Å; I475-I477 HydrophobicContact CG2-CD1 4.44Å; I475-I477 VanDerWaalsContact O-CD1 3.3Å; I475-I477 WeakPolarHBondContact O-CD1 3.47Å; I475-I477 PolarHBondContact O-N 3.31Å; I475-W496 HydrophobicContact CD1-CH2 3.75Å; I475-W496 HydrophobicContact CD1-CZ3 4.15Å; I475-M498 HydrophobicContact CD1-SD 3.86Å; I475-M498 HydrophobicContact CG2-CE 4.08Å; I475-Y516 VanDerWaalsContact CG2-OH 3.25Å; I475-Y516 WeakPolarHBondContact CG2-OH 3.3Å
476	R	58.8	Low	62.9	Low	209 Å²	209	55.6 Å²	55.6	79%	0.789	30%	0.296	S	S	*	.			trans	-75.4	106.3	175.1	-70.9	-173.8	178.6	-175.3	1.8	110.3	L474 R514	L474-R476 PolarHBondContact O-N 3.1Å; R476-R514 PolarHBondContact O-NH1 2.92Å
477	I	61	Low	63	Low	15 Å²	15	51 Å²	51	8%	0.077	27%	0.272	C	S	.	.			trans	-83.4	149.9	155	-52.1	90	0	0	0	107.3	I452 I475 S479 N481 V483	I452-I477 HydrophobicContact CB-CD1 3.92Å; I452-I477 HydrophobicContact CD1-CD1 3.53Å; I452-I477 HydrophobicContact CD1-CG1 4.1Å; I452-I477 HydrophobicContact CG1-CD1 3.69Å; I475-I477 HydrophobicContact CG2-CD1 4.44Å; I475-I477 VanDerWaalsContact O-CD1 3.3Å; I475-I477 WeakPolarHBondContact O-CD1 3.47Å; I475-I477 PolarHBondContact O-N 3.31Å; I477-S479 PolarHBondContact O-N 3.16Å; I477-N481 HydrophobicContact CG2-CB 4.03Å; I477-V483 HydrophobicContact CB-CG2 4.42Å; I477-V483 HydrophobicContact CD1-CG2 4Å; I477-V483 HydrophobicContact CG1-CG2 3.85Å; I477-V483 HydrophobicContact CG2-CG2 4.31Å
478	S	55.9	Low	63.3	Low	57 Å²	57	50.6 Å²	50.6	40%	0.399	27%	0.269	S	S	.	.			trans	-46	128.9	172.7	29.5	0	0	0	0	110.3	S480 N481	S478-S480 PolarHBondContact O-N 3.11Å; S478-N481 PolarHBondContact O-N 3.19Å; S478-N481 PolarHBondContact OG-ND2 3.19Å
479	S	46.4	Very low	63	Low	106 Å²	106	49 Å²	49	74%	0.741	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	4.5	-152.6	46.7	0	0	0	0	116.9	K449 I477	K449-S479 WeakPolarHBondContact CD-O 3.36Å; I477-S479 PolarHBondContact O-N 3.16Å
480	S	51.6	Low	62.6	Low	27 Å²	27	48.4 Å²	48.4	19%	0.189	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-16.9	-179.5	47.4	0	0	0	0	114.7	S478 E505	S478-S480 PolarHBondContact O-N 3.11Å; S480-E505 VanDerWaalsContact CB-CD 3.5Å; S480-E505 VanDerWaalsContact CB-CG 3.45Å; S480-E505 WeakPolarHBondContact CB-OE1 3.43Å; S480-E505 PolarHBondContact OG-OE1 2.7Å
481	N	62	Low	61.8	Low	16 Å²	16	46 Å²	46	9%	0.086	24%	0.237	C	C	.	.			trans	-81.2	137	-173.3	-67.6	-8.1	0	0	0	112.3	I477 S478 Y502 V503	I477-N481 HydrophobicContact CG2-CB 4.03Å; S478-N481 PolarHBondContact O-N 3.19Å; S478-N481 PolarHBondContact OG-ND2 3.19Å; N481-Y502 HydrophobicContact CB-CD2 3.56Å; N481-Y502 HydrophobicContact CB-CE2 4.2Å; N481-Y502 HydrophobicContact CB-CG 4.08Å; N481-Y502 VanDerWaalsContact CG-CD2 3.43Å; N481-Y502 VanDerWaalsContact ND2-CD2 3.34Å; N481-Y502 WeakPolarHBondContact ND2-CD2 3.29Å; N481-Y502 WeakPolarHBondContact ND2-CE2 3.41Å; N481-V503 WeakPolarHBondContact CA-O 3.48Å
482	Y	63.1	Low	60.9	Low	110 Å²	110	45.7 Å²	45.7	43%	0.431	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	105.6	178.8	176.2	-97.5	0	0	0	110.9	P444 T484 Y502 V503	P444-Y482 HydrophobicContact CB-CE2 3.88Å; P444-Y482 HydrophobicContact CG-CE2 3.92Å; Y482-T484 HydrophobicContact CD1-CG2 3.84Å; Y482-T484 HydrophobicContact CE1-CG2 3.83Å; Y482-T484 PolarHBondContact O-N 2.95Å; Y482-Y502 CarbonylContact O-C 3.59Å; Y482-Y502 WeakPolarHBondContact O-CA 3.49Å; Y482-V503 PolarHBondContact N-O 3.36Å; Y482-V503 PolarHBondContact O-N 2.99Å
483	V	63.5	Low	60	Low	5 Å²	5	46.6 Å²	46.6	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.9	179.5	-177.3	0	0	0	0	111	R441 N451 I452 I477 S485 I486 N501	R441-V483 PolarHBondContact NH1-O 2.65Å; N451-V483 PolarHBondContact ND2-O 3.22Å; N451-V483 WeakPolarHBondContact OD1-CB 3.48Å; I452-V483 HydrophobicContact CD1-CG1 4.11Å; I452-V483 HydrophobicContact CD1-CG2 4.12Å; I452-V483 HydrophobicContact CG1-CG1 4.44Å; I452-V483 HydrophobicContact CG1-CG2 4.44Å; I477-V483 HydrophobicContact CB-CG2 4.42Å; I477-V483 HydrophobicContact CD1-CG2 4Å; I477-V483 HydrophobicContact CG1-CG2 3.85Å; I477-V483 HydrophobicContact CG2-CG2 4.31Å; V483-S485 VanDerWaalsContact CG1-O 3.3Å; V483-S485 WeakPolarHBondContact CG1-O 3.4Å; V483-I486 HydrophobicContact CG1-CG2 3.96Å; V483-N501 CarbonylContact C-O 3.18Å; V483-N501 WeakPolarHBondContact CA-O 3.28Å; V483-N501 WeakPolarHBondContact CG1-O 3.06Å
484	T	62.4	Low	59.2	Low	50 Å²	50	45.4 Å²	45.4	31%	0.307	24%	0.24	S	C	.	.			trans	-94	-26.9	178.9	51.2	0	0	0	0	113.7	R441 Y482 N501 V503	R441-T484 PolarHBondContact NH2-O 3.27Å; Y482-T484 HydrophobicContact CD1-CG2 3.84Å; Y482-T484 HydrophobicContact CE1-CG2 3.83Å; Y482-T484 PolarHBondContact O-N 2.95Å; T484-N501 PolarHBondContact N-O 3.49Å; T484-N501 VanDerWaalsContact OG1-CB 3.28Å; T484-N501 WeakPolarHBondContact OG1-CB 3.26Å; T484-N501 PolarHBondContact OG1-O 3Å; T484-V503 HydrophobicContact CG2-CG2 3.92Å
485	S	65.1	Low	58.9	Low	9 Å²	9	41.9 Å²	41.9	6%	0.063	22%	0.22	C	C	.	.			trans	-154.3	154.7	179.3	55.8	0	0	0	0	112.5	E424 V483 G500 N501 T611	E424-S485 VanDerWaalsContact OE2-CA 3.32Å; E424-S485 WeakPolarHBondContact OE2-CA 3.41Å; V483-S485 VanDerWaalsContact CG1-O 3.3Å; V483-S485 WeakPolarHBondContact CG1-O 3.4Å; S485-G500 CarbonylContact O-C 3.6Å; S485-G500 WeakPolarHBondContact O-CA 3.23Å; S485-N501 PolarHBondContact N-O 3.49Å; S485-N501 PolarHBondContact O-N 2.89Å; S485-N501 WeakPolarHBondContact OG-CB 3.45Å; S485-N501 PolarHBondContact OG-N 2.9Å; S485-T611 VanDerWaalsContact CB-O 3.27Å; S485-T611 WeakPolarHBondContact CB-O 3.42Å; S485-T611 PolarHBondContact OG-O 3.08Å
486	I	66.2	Low	58.8	Low	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.218	C	C	.	.			trans	-132.5	152.8	170.8	57	165.3	0	0	0	112.6	E424 V439 R441 I452 V483	E424-I486 HydrophobicContact CB-CD1 4.37Å; E424-I486 HydrophobicContact CB-CG1 4.03Å; E424-I486 PolarHBondContact OE2-N 3.31Å; E424-I486 VanDerWaalsContact OE2-N 3.09Å; V439-I486 HydrophobicContact CG1-CD1 3.91Å; V439-I486 WeakPolarHBondContact O-CD1 3.35Å; R441-I486 HydrophobicContact CB-CD1 4Å; R441-I486 HydrophobicContact CB-CG1 4.16Å; I452-I486 HydrophobicContact CD1-CG2 3.5Å; I452-I486 VanDerWaalsContact CD1-CG2 3.5Å; I452-I486 HydrophobicContact CG1-CG2 3.92Å; V483-I486 HydrophobicContact CG1-CG2 3.96Å
487	C	64.5	Low	59.2	Low	2 Å²	2	31.6 Å²	31.6	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.5	161	62.1	0	0	0	0	110.2	D426 M498 A499 S616	D426-C487 VanDerWaalsContact OD2-CA 3.24Å; D426-C487 WeakPolarHBondContact OD2-CA 3.31Å; C487-M498 WeakPolarHBondContact O-CA 3.5Å; C487-A499 PolarHBondContact N-O 2.85Å; C487-A499 PolarHBondContact O-N 3.25Å; C487-A499 VanDerWaalsContact O-O 3.11Å; C487-A499 PolarHBondContact SG-O 3.08Å; C487-S616 VanDerWaalsContact CB-O 3.3Å; C487-S616 WeakPolarHBondContact CB-O 3.36Å
488	M	67.4	Low	59.6	Low	3 Å²	3	31.1 Å²	31.1	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.2	179.8	-171	177.5	-177.3	0	0	110.1	D426 C428 D437 V439 W496	D426-M488 HydrophobicContact CB-CB 4.28Å; D426-M488 PolarHBondContact OD2-N 3.31Å; C428-M488 HydrophobicContact CB-CE 3.5Å; C428-M488 VanDerWaalsContact CB-CE 3.5Å; C428-M488 HydrophobicContact CB-CG 4Å; C428-M488 HydrophobicContact CB-SD 3.55Å; C428-M488 VanDerWaalsContact CB-SD 3.55Å; D437-M488 HydrophobicContact CB-CE 3.57Å; D437-M488 HydrophobicContact CB-SD 4.22Å; V439-M488 HydrophobicContact CB-SD 4.29Å; V439-M488 HydrophobicContact CG2-CE 4.44Å; V439-M488 HydrophobicContact CG2-CG 4.42Å; V439-M488 HydrophobicContact CG2-SD 3.57Å; V439-M488 VanDerWaalsContact CG2-SD 3.57Å; M488-W496 HydrophobicContact CE-CB 3.62Å; M488-W496 HydrophobicContact CE-CD2 3.59Å; M488-W496 HydrophobicContact CE-CE3 3.49Å; M488-W496 VanDerWaalsContact CE-CE3 3.49Å; M488-W496 HydrophobicContact CE-CG 3.64Å; M488-W496 HydrophobicContact CE-CZ3 4.38Å; M488-W496 HydrophobicContact CG-CE3 4.39Å; M488-W496 HydrophobicContact SD-CE3 4.41Å
489	S	62.1	Low	60.2	Low	25 Å²	25	28.5 Å²	28.5	18%	0.175	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.1	167.9	-172.8	0	0	0	0	109.8	C497	S489-C497 PolarHBondContact N-O 2.54Å; S489-C497 PolarHBondContact O-N 3.49Å; S489-C497 VanDerWaalsContact O-O 3.09Å
490	R	58.5	Low	61.2	Low	30 Å²	30	23.6 Å²	23.6	11%	0.113	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	144.7	169.8	-145.9	161.7	121	-147.8	-10.1	109.1	W380 C428 F429 E431 E495	W380-R490 HydrophobicContact CH2-CB 3.69Å; W380-R490 HydrophobicContact CH2-CG 3.77Å; W380-R490 HydrophobicContact CZ2-CB 4Å; W380-R490 HydrophobicContact CZ2-CG 4.06Å; C428-R490 WeakPolarHBondContact SG-CB 3.21Å; F429-R490 WeakPolarHBondContact O-CD 3Å; F429-R490 PolarHBondContact O-NH1 2.96Å; E431-R490 IonicContact OE2-CZ 2.74Å; E431-R490 IonicContact OE2-NH1 2.69Å; E431-R490 PolarHBondContact OE2-NH1 2.87Å; E431-R490 IonicContact OE2-NH2 3.66Å; E431-R490 PolarHBondContact OE2-NH2 2.88Å; R490-E495 WeakPolarHBondContact CG-O 3.48Å
491	W	51.8	Low	62.2	Low	46 Å²	46	23 Å²	23	17%	0.174	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-47.4	-175.5	-175.1	-90.4	0	0	0	111.5	W380 E495 C497 L515 L587 L600	W380-W491 PolarHBondContact NE1-O 3.05Å; W491-E495 HydrophobicContact CB-CB 4.27Å; W491-E495 PolarHBondContact N-O 2.83Å; W491-C497 HydrophobicContact CB-CB 4.34Å; W491-C497 HydrophobicContact CD2-CB 4.41Å; W491-C497 HydrophobicContact CE3-CB 3.66Å; W491-C497 HydrophobicContact CZ3-CB 4.29Å; W491-L515 HydrophobicContact CB-CD1 3.56Å; W491-L515 HydrophobicContact CD2-CD1 3.79Å; W491-L515 HydrophobicContact CG-CD1 3.32Å; W491-L515 HydrophobicContact CZ2-CD2 4.48Å; W491-L587 HydrophobicContact CH2-CD1 3.88Å; W491-L587 HydrophobicContact CH2-CD2 4.5Å; W491-L587 HydrophobicContact CZ2-CD1 4.34Å; W491-L600 HydrophobicContact CH2-CD1 3.96Å; W491-L600 HydrophobicContact CH2-CD2 3.77Å; W491-L600 HydrophobicContact CH2-CG 4.46Å; W491-L600 HydrophobicContact CZ3-CD1 3.89Å; W491-L600 HydrophobicContact CZ3-CD2 3.84Å
492	I	50.4	Low	62.6	Low	49 Å²	49	22.9 Å²	22.9	25%	0.251	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.1	174.4	-75.9	178.5	0	0	0	106.9	L379 G494 E495	L379-I492 HydrophobicContact CD1-CB 4.48Å; L379-I492 HydrophobicContact CD1-CD1 3.87Å; L379-I492 HydrophobicContact CD1-CG1 3.99Å; L379-I492 HydrophobicContact CD1-CG2 3.77Å; L379-I492 HydrophobicContact CD2-CG2 4.22Å; I492-G494 PolarHBondContact O-N 2.7Å; I492-G494 VanDerWaalsContact O-N 3.11Å; I492-E495 HydrophobicContact CB-CB 4.01Å; I492-E495 HydrophobicContact CB-CG 4.1Å; I492-E495 HydrophobicContact CG2-CG 4.36Å; I492-E495 PolarHBondContact N-O 3.23Å; I492-E495 CarbonylContact O-C 3.58Å; I492-E495 PolarHBondContact O-N 2.95Å
493	P	47.7	Very low	63	Low	55 Å²	55	19.2 Å²	19.2	36%	0.357	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	112.2	164.6	-19	32	0	0	0	109.3	L379	L379-P493 HydrophobicContact CD2-CG 3.88Å
494	G	53	Low	63.3	Low	18 Å²	18	20.1 Å²	20.1	19%	0.186	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	1	-166.6	0	0	0	0	0	115.5	I492 N517 S518	I492-G494 PolarHBondContact O-N 2.7Å; I492-G494 VanDerWaalsContact O-N 3.11Å; G494-N517 CarbonylContact O-C 3.53Å; G494-N517 PolarHBondContact O-OD1 3.01Å; G494-S518 WeakPolarHBondContact O-CB 3.13Å; G494-S518 PolarHBondContact O-N 3.42Å; G494-S518 PolarHBondContact O-OG 3.47Å
495	E	59.5	Low	63.6	Low	34 Å²	34	25 Å²	25	16%	0.159	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.9	173.3	-53.5	-175.3	156.2	0	0	113.6	R490 W491 I492 L515 Y516 I525	R490-E495 WeakPolarHBondContact CG-O 3.48Å; W491-E495 HydrophobicContact CB-CB 4.27Å; W491-E495 PolarHBondContact N-O 2.83Å; I492-E495 HydrophobicContact CB-CB 4.01Å; I492-E495 HydrophobicContact CB-CG 4.1Å; I492-E495 HydrophobicContact CG2-CG 4.36Å; I492-E495 PolarHBondContact N-O 3.23Å; I492-E495 CarbonylContact O-C 3.58Å; I492-E495 PolarHBondContact O-N 2.95Å; E495-L515 HydrophobicContact CB-CD1 3.96Å; E495-Y516 CarbonylContact C-O 3.46Å; E495-Y516 VanDerWaalsContact CA-O 3.23Å; E495-Y516 WeakPolarHBondContact CA-O 3.18Å; E495-Y516 WeakPolarHBondContact CB-O 3.31Å; E495-I525 HydrophobicContact CG-CD1 4.12Å; E495-I525 WeakPolarHBondContact OE1-CD1 3.34Å
496	W	64.1	Low	63.8	Low	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.3	179.3	55.4	-75.5	0	0	0	111.2	V439 R454 I475 M488 M498 Y516 N517	V439-W496 HydrophobicContact CG2-CZ3 4.13Å; R454-W496 VanDerWaalsContact CZ-CE2 3.49Å; R454-W496 VanDerWaalsContact NH1-NE1 3.1Å; I475-W496 HydrophobicContact CD1-CH2 3.75Å; I475-W496 HydrophobicContact CD1-CZ3 4.15Å; M488-W496 HydrophobicContact CE-CB 3.62Å; M488-W496 HydrophobicContact CE-CD2 3.59Å; M488-W496 HydrophobicContact CE-CE3 3.49Å; M488-W496 VanDerWaalsContact CE-CE3 3.49Å; M488-W496 HydrophobicContact CE-CG 3.64Å; M488-W496 HydrophobicContact CE-CZ3 4.38Å; M488-W496 HydrophobicContact CG-CE3 4.39Å; M488-W496 HydrophobicContact SD-CE3 4.41Å; W496-M498 HydrophobicContact CE3-CB 4.36Å; W496-M498 HydrophobicContact CZ3-CB 3.98Å; W496-Y516 HydrophobicContact CD2-CD2 4.23Å; W496-Y516 HydrophobicContact CD2-CG 4.3Å; W496-Y516 AromaticContact CE2-CG 3.76Å; W496-Y516 AromaticContact CE3-CD2 3.88Å; W496-Y516 HydrophobicContact CE3-CD2 3.88Å; W496-Y516 HydrophobicContact CE3-CG 4.37Å; W496-Y516 AromaticContact CH2-CD1 3.92Å; W496-Y516 HydrophobicContact CH2-CD1 3.92Å; W496-Y516 AromaticContact CH2-CD2 3.34Å; W496-Y516 HydrophobicContact CH2-CD2 3.34Å; W496-Y516 HydrophobicContact CH2-CE1 4.22Å; W496-Y516 AromaticContact CH2-CE2 3.68Å; W496-Y516 HydrophobicContact CH2-CE2 3.68Å; W496-Y516 AromaticContact CH2-CG 3.48Å; W496-Y516 HydrophobicContact CH2-CG 3.48Å; W496-Y516 VanDerWaalsContact CH2-CG 3.48Å; W496-Y516 AromaticContact CZ2-CD1 3.73Å; W496-Y516 HydrophobicContact CZ2-CD1 3.73Å; W496-Y516 AromaticContact CZ2-CD2 3.66Å; W496-Y516 HydrophobicContact CZ2-CD2 3.66Å; W496-Y516 HydrophobicContact CZ2-CE1 4.43Å; W496-Y516 HydrophobicContact CZ2-CE2 4.37Å; W496-Y516 AromaticContact CZ2-CG 3.29Å; W496-Y516 HydrophobicContact CZ2-CG 3.29Å; W496-Y516 AromaticContact CZ3-CD2 3.47Å; W496-Y516 HydrophobicContact CZ3-CD2 3.47Å; W496-Y516 VanDerWaalsContact CZ3-CD2 3.47Å; W496-Y516 AromaticContact CZ3-CE2 3.83Å; W496-Y516 HydrophobicContact CZ3-CE2 3.83Å; W496-Y516 HydrophobicContact CZ3-CG 4.04Å; W496-Y516 PolarHBondContact N-O 3.2Å; W496-Y516 PolarHBondContact O-N 2.98Å; W496-N517 PolarHBondContact NE1-O 2.89Å
497	C	66.6	Low	63.8	Low	1 Å²	1	40.4 Å²	40.4	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.2	176	177.8	0	0	0	0	110	S489 W491 I513 R514	S489-C497 PolarHBondContact N-O 2.54Å; S489-C497 PolarHBondContact O-N 3.49Å; S489-C497 VanDerWaalsContact O-O 3.09Å; W491-C497 HydrophobicContact CB-CB 4.34Å; W491-C497 HydrophobicContact CD2-CB 4.41Å; W491-C497 HydrophobicContact CE3-CB 3.66Å; W491-C497 HydrophobicContact CZ3-CB 4.29Å; C497-I513 WeakPolarHBondContact SG-CG2 3.36Å; C497-R514 CarbonylContact C-O 3.52Å; C497-R514 VanDerWaalsContact CA-O 3.29Å; C497-R514 WeakPolarHBondContact CA-O 3.49Å
498	M	70.8	Confident	64	Low	5 Å²	5	43 Å²	43	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.2	166.4	-175.5	-172.6	70.5	0	0	108.7	V439 I452 I475 C487 W496 R514 Y516	V439-M498 HydrophobicContact CG1-SD 3.9Å; I452-M498 HydrophobicContact CD1-CE 3.94Å; I452-M498 HydrophobicContact CD1-SD 3.86Å; I452-M498 HydrophobicContact CG2-SD 4.17Å; I475-M498 HydrophobicContact CD1-SD 3.86Å; I475-M498 HydrophobicContact CG2-CE 4.08Å; C487-M498 WeakPolarHBondContact O-CA 3.5Å; W496-M498 HydrophobicContact CE3-CB 4.36Å; W496-M498 HydrophobicContact CZ3-CB 3.98Å; M498-R514 PolarHBondContact N-O 2.84Å; M498-R514 PolarHBondContact O-N 3.05Å; M498-Y516 HydrophobicContact CB-CE2 4.21Å; M498-Y516 HydrophobicContact CE-CE2 4.35Å
499	A	67.2	Low	64	Low	1 Å²	1	51 Å²	51	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.6	170.7	0	0	0	0	0	110.2	C487 S512 I513 F609	C487-A499 PolarHBondContact N-O 2.85Å; C487-A499 PolarHBondContact O-N 3.25Å; C487-A499 VanDerWaalsContact O-O 3.11Å; C487-A499 PolarHBondContact SG-O 3.08Å; A499-S512 CarbonylContact C-O 3.59Å; A499-S512 VanDerWaalsContact CA-O 3.25Å; A499-S512 WeakPolarHBondContact CA-O 3.38Å; A499-I513 HydrophobicContact CB-CG1 4.23Å; A499-I513 HydrophobicContact CB-CG2 4.49Å; A499-F609 HydrophobicContact CB-CD1 3.74Å; A499-F609 HydrophobicContact CB-CE1 4.1Å; A499-F609 HydrophobicContact CB-CG 4.37Å
500	G	68.4	Low	64.2	Low	4 Å²	4	50.8 Å²	50.8	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	155.7	-176.4	0	0	0	0	0	113.4	S485 S512	S485-G500 CarbonylContact O-C 3.6Å; S485-G500 WeakPolarHBondContact O-CA 3.23Å; G500-S512 PolarHBondContact N-O 2.98Å; G500-S512 PolarHBondContact O-N 3.29Å; G500-S512 PolarHBondContact O-OG 3.01Å
501	N	72.3	Confident	64.5	Low	15 Å²	15	49.3 Å²	49.3	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.4	-176.8	-64.3	-23.3	0	0	0	111.6	V483 T484 S485 L532 T611	V483-N501 CarbonylContact C-O 3.18Å; V483-N501 WeakPolarHBondContact CA-O 3.28Å; V483-N501 WeakPolarHBondContact CG1-O 3.06Å; T484-N501 PolarHBondContact N-O 3.49Å; T484-N501 VanDerWaalsContact OG1-CB 3.28Å; T484-N501 WeakPolarHBondContact OG1-CB 3.26Å; T484-N501 PolarHBondContact OG1-O 3Å; S485-N501 PolarHBondContact N-O 3.49Å; S485-N501 PolarHBondContact O-N 2.89Å; S485-N501 WeakPolarHBondContact OG-CB 3.45Å; S485-N501 PolarHBondContact OG-N 2.9Å; N501-L532 HydrophobicContact CB-CD1 4.23Å; N501-L532 VanDerWaalsContact OD1-CD1 3.26Å; N501-L532 WeakPolarHBondContact OD1-CD1 3.02Å; N501-T611 VanDerWaalsContact CG-OG1 3.23Å; N501-T611 VanDerWaalsContact ND2-CB 3.34Å; N501-T611 WeakPolarHBondContact ND2-CB 3.3Å; N501-T611 PolarHBondContact ND2-O 3.26Å; N501-T611 PolarHBondContact ND2-OG1 2.91Å; N501-T611 WeakPolarHBondContact OD1-CB 3.22Å; N501-T611 PolarHBondContact OD1-OG1 2.9Å
502	Y	70.4	Confident	65.4	Low	13 Å²	13	47.6 Å²	47.6	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.2	169.5	66.4	-87.1	0	0	0	111.4	N481 Y482 D504 R509 K510 H529	N481-Y502 HydrophobicContact CB-CD2 3.56Å; N481-Y502 HydrophobicContact CB-CE2 4.2Å; N481-Y502 HydrophobicContact CB-CG 4.08Å; N481-Y502 VanDerWaalsContact CG-CD2 3.43Å; N481-Y502 VanDerWaalsContact ND2-CD2 3.34Å; N481-Y502 WeakPolarHBondContact ND2-CD2 3.29Å; N481-Y502 WeakPolarHBondContact ND2-CE2 3.41Å; Y482-Y502 CarbonylContact O-C 3.59Å; Y482-Y502 WeakPolarHBondContact O-CA 3.49Å; Y502-D504 HydrophobicContact CD2-CB 4.35Å; Y502-D504 HydrophobicContact CE2-CB 4.02Å; Y502-R509 WeakPolarHBondContact O-CA 3.19Å; Y502-K510 HydrophobicContact CD1-CB 4.47Å; Y502-K510 WeakPolarHBondContact CD1-O 3.4Å; Y502-K510 HydrophobicContact CD2-CB 4.33Å; Y502-K510 HydrophobicContact CE1-CB 3.79Å; Y502-K510 WeakPolarHBondContact CE1-O 3.3Å; Y502-K510 HydrophobicContact CE2-CB 3.65Å; Y502-K510 HydrophobicContact CE2-CD 4.35Å; Y502-K510 PolarHBondContact N-O 2.83Å; Y502-K510 PolarHBondContact O-N 2.9Å; Y502-K510 VanDerWaalsContact O-O 3.1Å; Y502-K510 WeakPolarHBondContact OH-CB 3.3Å; Y502-H529 AromaticContact CE1-CE1 3.93Å; Y502-H529 AromaticContact CE1-ND1 3.43Å; Y502-H529 WeakPolarHBondContact CE1-ND1 3.46Å; Y502-H529 AromaticContact CZ-ND1 3.48Å; Y502-H529 PolarHBondContact OH-ND1 2.93Å
503	V	71.2	Confident	66.2	Low	33 Å²	33	45.3 Å²	45.3	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.4	168.7	176.5	0	0	0	0	107.1	N481 Y482 T484 R507 D508 R509	N481-V503 WeakPolarHBondContact CA-O 3.48Å; Y482-V503 PolarHBondContact N-O 3.36Å; Y482-V503 PolarHBondContact O-N 2.99Å; T484-V503 HydrophobicContact CG2-CG2 3.92Å; V503-R507 HydrophobicContact CG1-CB 4.11Å; V503-D508 WeakPolarHBondContact CA-O 3.24Å; V503-R509 HydrophobicContact CG2-CG 4.26Å
504	D	69.8	Low	67.2	Low	24 Å²	24	43.5 Å²	43.5	13%	0.128	20%	0.196	C	C	.	.			trans	-86.2	-174.2	-179.8	79.2	6.7	0	0	0	113.3	Y502 K506 R507 D508 K510	Y502-D504 HydrophobicContact CD2-CB 4.35Å; Y502-D504 HydrophobicContact CE2-CB 4.02Å; D504-K506 VanDerWaalsContact C-N 3.32Å; D504-K506 PolarHBondContact O-N 2.84Å; D504-K506 WeakPolarHBondContact OD1-CA 3.5Å; D504-K506 WeakPolarHBondContact OD1-CB 3.35Å; D504-K506 PolarHBondContact OD1-N 2.98Å; D504-R507 WeakPolarHBondContact O-CA 3.43Å; D504-R507 PolarHBondContact O-N 2.96Å; D504-R507 PolarHBondContact OD1-N 2.76Å; D504-R507 VanDerWaalsContact OD1-N 3.13Å; D504-D508 PolarHBondContact N-O 2.81Å; D504-D508 PolarHBondContact OD1-N 2.83Å; D504-K510 WeakPolarHBondContact OD2-CD 3.4Å; D504-K510 WeakPolarHBondContact OD2-CE 3.28Å; D504-K510 IonicContact OD2-NZ 3.19Å; D504-K510 PolarHBondContact OD2-NZ 3.06Å
505	E	68.4	Low	67.8	Low	151 Å²	151	43.4 Å²	43.4	71%	0.706	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-32.9	178.8	-68.2	-176	-140.6	0	0	114	S480 R507	S480-E505 VanDerWaalsContact CB-CD 3.5Å; S480-E505 VanDerWaalsContact CB-CG 3.45Å; S480-E505 WeakPolarHBondContact CB-OE1 3.43Å; S480-E505 PolarHBondContact OG-OE1 2.7Å; E505-R507 PolarHBondContact O-N 3Å
506	K	68.8	Low	68.1	Low	125 Å²	125	41.9 Å²	41.9	54%	0.543	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.5	174.4	-57.9	175	179.6	178.4	0	111.6	D504 D508 E542	D504-K506 VanDerWaalsContact C-N 3.32Å; D504-K506 PolarHBondContact O-N 2.84Å; D504-K506 WeakPolarHBondContact OD1-CA 3.5Å; D504-K506 WeakPolarHBondContact OD1-CB 3.35Å; D504-K506 PolarHBondContact OD1-N 2.98Å; K506-D508 VanDerWaalsContact C-N 3.35Å; K506-D508 VanDerWaalsContact CD-OD2 3.25Å; K506-D508 WeakPolarHBondContact CD-OD2 3.37Å; K506-E542 IonicContact NZ-OE1 3.31Å; K506-E542 PolarHBondContact NZ-OE1 3.34Å; K506-E542 IonicContact NZ-OE2 2.66Å; K506-E542 PolarHBondContact NZ-OE2 2.81Å
507	R	67.5	Low	68.2	Low	213 Å²	213	42.9 Å²	42.9	80%	0.804	19%	0.189	S	C	*	.			trans	74.2	16.4	-165.4	-55.2	-179	172.9	-174.8	-1.4	114.6	V503 D504 E505	V503-R507 HydrophobicContact CG1-CB 4.11Å; D504-R507 WeakPolarHBondContact O-CA 3.43Å; D504-R507 PolarHBondContact O-N 2.96Å; D504-R507 PolarHBondContact OD1-N 2.76Å; D504-R507 VanDerWaalsContact OD1-N 3.13Å; E505-R507 PolarHBondContact O-N 3Å
508	D	67.6	Low	68	Low	56 Å²	56	43.8 Å²	43.8	30%	0.299	20%	0.196	S	C	.	.			trans	-69.9	134.1	173.7	-64.8	-36.1	0	0	0	109.4	V503 D504 K506 K510	V503-D508 WeakPolarHBondContact CA-O 3.24Å; D504-D508 PolarHBondContact N-O 2.81Å; D504-D508 PolarHBondContact OD1-N 2.83Å; K506-D508 VanDerWaalsContact C-N 3.35Å; K506-D508 VanDerWaalsContact CD-OD2 3.25Å; K506-D508 WeakPolarHBondContact CD-OD2 3.37Å; D508-K510 HydrophobicContact CB-CD 4.47Å; D508-K510 IonicContact OD2-NZ 2.8Å
509	R	67	Low	67.7	Low	172 Å²	172	51.2 Å²	51.2	65%	0.649	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	124	171.1	-71.6	-176.4	177.6	-172.6	0.1	108.2	Y502 V503 N531 L532	Y502-R509 WeakPolarHBondContact O-CA 3.19Å; V503-R509 HydrophobicContact CG2-CG 4.26Å; R509-N531 PolarHBondContact O-OD1 3.09Å; R509-L532 HydrophobicContact CB-CB 3.94Å; R509-L532 HydrophobicContact CB-CD1 4.39Å; R509-L532 WeakPolarHBondContact O-CA 3.26Å; R509-L532 VanDerWaalsContact O-CB 3.3Å; R509-L532 WeakPolarHBondContact O-CB 3.44Å; R509-L532 PolarHBondContact O-N 3.41Å
510	K	67.6	Low	67.5	Low	20 Å²	20	54.8 Å²	54.8	9%	0.087	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.4	178.3	-75.3	166.5	179.9	165.9	0	108.8	Y502 D504 D508 V530 N531 E542	Y502-K510 HydrophobicContact CD1-CB 4.47Å; Y502-K510 WeakPolarHBondContact CD1-O 3.4Å; Y502-K510 HydrophobicContact CD2-CB 4.33Å; Y502-K510 HydrophobicContact CE1-CB 3.79Å; Y502-K510 WeakPolarHBondContact CE1-O 3.3Å; Y502-K510 HydrophobicContact CE2-CB 3.65Å; Y502-K510 HydrophobicContact CE2-CD 4.35Å; Y502-K510 PolarHBondContact N-O 2.83Å; Y502-K510 PolarHBondContact O-N 2.9Å; Y502-K510 VanDerWaalsContact O-O 3.1Å; Y502-K510 WeakPolarHBondContact OH-CB 3.3Å; D504-K510 WeakPolarHBondContact OD2-CD 3.4Å; D504-K510 WeakPolarHBondContact OD2-CE 3.28Å; D504-K510 IonicContact OD2-NZ 3.19Å; D504-K510 PolarHBondContact OD2-NZ 3.06Å; D508-K510 HydrophobicContact CB-CD 4.47Å; D508-K510 IonicContact OD2-NZ 2.8Å; K510-V530 CarbonylContact C-O 3.46Å; K510-V530 VanDerWaalsContact CA-O 3.26Å; K510-V530 WeakPolarHBondContact CA-O 3.49Å; K510-N531 HydrophobicContact CG-CB 4.33Å; K510-E542 IonicContact NZ-OE2 2.85Å; K510-E542 PolarHBondContact NZ-OE2 2.78Å
511	A	65	Low	67	Low	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	152.6	166.2	0	0	0	0	0	109.3	H529 V530 L532 L598	A511-H529 WeakPolarHBondContact O-CA 3.47Å; A511-V530 HydrophobicContact CB-CB 4.44Å; A511-V530 PolarHBondContact N-O 3.14Å; A511-V530 PolarHBondContact O-N 3.03Å; A511-L532 HydrophobicContact CB-CD1 4.02Å; A511-L532 HydrophobicContact CB-CD2 3.93Å; A511-L532 HydrophobicContact CB-CG 4.14Å; A511-L598 HydrophobicContact CB-CD1 3.68Å
512	S	70.2	Confident	66.4	Low	9 Å²	9	61.9 Å²	61.9	6%	0.063	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.9	163.9	52.2	0	0	0	0	109.5	A499 G500 G528	A499-S512 CarbonylContact C-O 3.59Å; A499-S512 VanDerWaalsContact CA-O 3.25Å; A499-S512 WeakPolarHBondContact CA-O 3.38Å; G500-S512 PolarHBondContact N-O 2.98Å; G500-S512 PolarHBondContact O-N 3.29Å; G500-S512 PolarHBondContact O-OG 3.01Å; S512-G528 WeakPolarHBondContact CA-O 3.43Å
513	I	67.2	Low	66	Low	2 Å²	2	64.9 Å²	64.9	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.3	167.5	-51.5	-178.4	0	0	0	105.8	C497 A499 W526 S527 G528 V589 L598 L600	C497-I513 WeakPolarHBondContact SG-CG2 3.36Å; A499-I513 HydrophobicContact CB-CG1 4.23Å; A499-I513 HydrophobicContact CB-CG2 4.49Å; I513-W526 HydrophobicContact CB-CH2 4.4Å; I513-W526 HydrophobicContact CB-CZ3 3.92Å; I513-W526 HydrophobicContact CG2-CZ3 3.86Å; I513-S527 CarbonylContact O-C 3.55Å; I513-S527 WeakPolarHBondContact O-CA 3.25Å; I513-G528 PolarHBondContact N-O 2.85Å; I513-G528 PolarHBondContact O-N 3.11Å; I513-V589 HydrophobicContact CD1-CG1 4.03Å; I513-V589 HydrophobicContact CD1-CG2 4.13Å; I513-L598 HydrophobicContact CD1-CD1 3.91Å; I513-L598 HydrophobicContact CG1-CD1 4.04Å; I513-L600 HydrophobicContact CD1-CD1 4Å; I513-L600 HydrophobicContact CG2-CD1 4.17Å
514	R	69.4	Low	65.5	Low	17 Å²	17	65 Å²	65	6%	0.064	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.4	-173.6	-66.6	-178.8	170.6	-155.4	-9.7	110.6	R476 C497 M498 Y516 P524 W526	R476-R514 PolarHBondContact O-NH1 2.92Å; C497-R514 CarbonylContact C-O 3.52Å; C497-R514 VanDerWaalsContact CA-O 3.29Å; C497-R514 WeakPolarHBondContact CA-O 3.49Å; M498-R514 PolarHBondContact N-O 2.84Å; M498-R514 PolarHBondContact O-N 3.05Å; R514-Y516 HydrophobicContact CB-CD2 4.16Å; R514-Y516 HydrophobicContact CB-CE2 3.51Å; R514-Y516 WeakPolarHBondContact CD-OH 3.24Å; R514-Y516 PolarHBondContact NH1-OH 2.88Å; R514-P524 HydrophobicContact CB-CB 4.16Å; R514-W526 CarbonylContact C-O 3.55Å; R514-W526 WeakPolarHBondContact CA-O 3.19Å
515	L	65.6	Low	65.2	Low	16 Å²	16	66.7 Å²	66.7	8%	0.084	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.5	171.6	179.6	59	0	0	0	109.3	W491 E495 P524 I525 W526	W491-L515 HydrophobicContact CB-CD1 3.56Å; W491-L515 HydrophobicContact CD2-CD1 3.79Å; W491-L515 HydrophobicContact CG-CD1 3.32Å; W491-L515 HydrophobicContact CZ2-CD2 4.48Å; E495-L515 HydrophobicContact CB-CD1 3.96Å; L515-P524 CarbonylContact O-C 3.54Å; L515-P524 VanDerWaalsContact O-C 3.27Å; L515-P524 WeakPolarHBondContact O-CA 3.39Å; L515-P524 WeakPolarHBondContact O-CB 3.48Å; L515-I525 HydrophobicContact CD2-CD1 4.43Å; L515-I525 HydrophobicContact CG-CB 4.35Å; L515-I525 HydrophobicContact CG-CD1 4.19Å; L515-I525 HydrophobicContact CG-CG1 4.5Å; L515-I525 PolarHBondContact O-N 2.95Å; L515-W526 HydrophobicContact CB-CB 4.24Å; L515-W526 PolarHBondContact N-O 2.95Å; L515-W526 PolarHBondContact O-N 3.35Å
516	Y	65.1	Low	64.8	Low	2 Å²	2	61.4 Å²	61.4	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.2	178.8	-70.3	-91.9	0	0	0	110.1	I475 E495 W496 M498 R514 P524	I475-Y516 VanDerWaalsContact CG2-OH 3.25Å; I475-Y516 WeakPolarHBondContact CG2-OH 3.3Å; E495-Y516 CarbonylContact C-O 3.46Å; E495-Y516 VanDerWaalsContact CA-O 3.23Å; E495-Y516 WeakPolarHBondContact CA-O 3.18Å; E495-Y516 WeakPolarHBondContact CB-O 3.31Å; W496-Y516 HydrophobicContact CD2-CD2 4.23Å; W496-Y516 HydrophobicContact CD2-CG 4.3Å; W496-Y516 AromaticContact CE2-CG 3.76Å; W496-Y516 AromaticContact CE3-CD2 3.88Å; W496-Y516 HydrophobicContact CE3-CD2 3.88Å; W496-Y516 HydrophobicContact CE3-CG 4.37Å; W496-Y516 AromaticContact CH2-CD1 3.92Å; W496-Y516 HydrophobicContact CH2-CD1 3.92Å; W496-Y516 AromaticContact CH2-CD2 3.34Å; W496-Y516 HydrophobicContact CH2-CD2 3.34Å; W496-Y516 HydrophobicContact CH2-CE1 4.22Å; W496-Y516 AromaticContact CH2-CE2 3.68Å; W496-Y516 HydrophobicContact CH2-CE2 3.68Å; W496-Y516 AromaticContact CH2-CG 3.48Å; W496-Y516 HydrophobicContact CH2-CG 3.48Å; W496-Y516 VanDerWaalsContact CH2-CG 3.48Å; W496-Y516 AromaticContact CZ2-CD1 3.73Å; W496-Y516 HydrophobicContact CZ2-CD1 3.73Å; W496-Y516 AromaticContact CZ2-CD2 3.66Å; W496-Y516 HydrophobicContact CZ2-CD2 3.66Å; W496-Y516 HydrophobicContact CZ2-CE1 4.43Å; W496-Y516 HydrophobicContact CZ2-CE2 4.37Å; W496-Y516 AromaticContact CZ2-CG 3.29Å; W496-Y516 HydrophobicContact CZ2-CG 3.29Å; W496-Y516 AromaticContact CZ3-CD2 3.47Å; W496-Y516 HydrophobicContact CZ3-CD2 3.47Å; W496-Y516 VanDerWaalsContact CZ3-CD2 3.47Å; W496-Y516 AromaticContact CZ3-CE2 3.83Å; W496-Y516 HydrophobicContact CZ3-CE2 3.83Å; W496-Y516 HydrophobicContact CZ3-CG 4.04Å; W496-Y516 PolarHBondContact N-O 3.2Å; W496-Y516 PolarHBondContact O-N 2.98Å; M498-Y516 HydrophobicContact CB-CE2 4.21Å; M498-Y516 HydrophobicContact CE-CE2 4.35Å; R514-Y516 HydrophobicContact CB-CD2 4.16Å; R514-Y516 HydrophobicContact CB-CE2 3.51Å; R514-Y516 WeakPolarHBondContact CD-OH 3.24Å; R514-Y516 PolarHBondContact NH1-OH 2.88Å; Y516-P524 HydrophobicContact CD1-CB 4.05Å; Y516-P524 HydrophobicContact CD2-CB 4.44Å; Y516-P524 HydrophobicContact CE1-CB 3.87Å; Y516-P524 HydrophobicContact CE1-CG 4.39Å; Y516-P524 HydrophobicContact CE2-CB 4.28Å; Y516-P524 HydrophobicContact CG-CB 4.33Å
517	N	65.8	Low	64.2	Low	21 Å²	21	56.5 Å²	56.5	11%	0.112	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	158.7	167.4	-159.5	-63	0	0	0	109.4	Y368 G494 W496 E519 D520 I525	Y368-N517 PolarHBondContact OH-ND2 2.8Å; G494-N517 CarbonylContact O-C 3.53Å; G494-N517 PolarHBondContact O-OD1 3.01Å; W496-N517 PolarHBondContact NE1-O 2.89Å; N517-E519 WeakPolarHBondContact OD1-CB 3.14Å; N517-E519 PolarHBondContact OD1-N 3.36Å; N517-D520 CarbonylContact C-O 3.52Å; N517-D520 HydrophobicContact CB-CB 4.44Å; N517-D520 PolarHBondContact N-O 2.91Å; N517-I525 HydrophobicContact CB-CD1 3.92Å; N517-I525 HydrophobicContact CB-CG1 4.22Å
518	S	63.2	Low	63.7	Low	21 Å²	21	46.6 Å²	46.6	15%	0.147	23%	0.227	C	C	.	.	S	Bend	trans	-77	-27	169	-70.7	0	0	0	0	111.7	G494 T521	G494-S518 WeakPolarHBondContact O-CB 3.13Å; G494-S518 PolarHBondContact O-N 3.42Å; G494-S518 PolarHBondContact O-OG 3.47Å; S518-T521 WeakPolarHBondContact O-CG2 3.34Å
519	E	64.1	Low	63.5	Low	161 Å²	161	45.4 Å²	45.4	75%	0.752	22%	0.22	S	C	*	.	S	Bend	trans	-83.4	-60.8	177	-57.3	-176	167.3	0	0	111.9	N517 T521	N517-E519 WeakPolarHBondContact OD1-CB 3.14Å; N517-E519 PolarHBondContact OD1-N 3.36Å; E519-T521 PolarHBondContact O-N 2.99Å
520	D	62.2	Low	63.1	Low	75 Å²	75	37.7 Å²	37.7	40%	0.401	19%	0.192	S	C	.	.			trans	-82.9	110	167.1	-167.3	-14.5	0	0	0	110.6	N517 Q522	N517-D520 CarbonylContact C-O 3.52Å; N517-D520 HydrophobicContact CB-CB 4.44Å; N517-D520 PolarHBondContact N-O 2.91Å; D520-Q522 PolarHBondContact OD1-N 3.32Å
521	T	59.6	Low	62.8	Low	16 Å²	16	37.2 Å²	37.2	10%	0.098	19%	0.19	C	C	.	.			trans	-106.5	-3.5	-175.2	69.3	0	0	0	0	113.5	R454 N473 S518 E519	R454-T521 VanDerWaalsContact NH1-CB 3.25Å; N473-T521 PolarHBondContact ND2-OG1 3.22Å; S518-T521 WeakPolarHBondContact O-CG2 3.34Å; E519-T521 PolarHBondContact O-N 2.99Å
522	Q	58.8	Low	62.6	Low	153 Å²	153	38.4 Å²	38.4	72%	0.715	20%	0.197	S	C	*	.	S	Bend	trans	-94.7	-38.8	-172.5	-61.1	-164.9	31.2	0	0	112.8	D520	D520-Q522 PolarHBondContact OD1-N 3.32Å
523	L	62.2	Low	61.8	Low	75 Å²	75	39.5 Å²	39.5	39%	0.393	21%	0.209	S	C	.	.	S	Bend	trans	-117.3	142.6	177.8	-66	175.9	0	0	0	110.2	A551	L523-A551 HydrophobicContact CD1-CB 4.25Å
524	P	60.9	Low	60.8	Low	35 Å²	35	44 Å²	44	23%	0.227	23%	0.233	C	C	.	.			trans	-73.4	140.4	170.3	31.4	-32.7	0	0	0	110.2	R514 L515 Y516 W526	R514-P524 HydrophobicContact CB-CB 4.16Å; L515-P524 CarbonylContact O-C 3.54Å; L515-P524 VanDerWaalsContact O-C 3.27Å; L515-P524 WeakPolarHBondContact O-CA 3.39Å; L515-P524 WeakPolarHBondContact O-CB 3.48Å; Y516-P524 HydrophobicContact CD1-CB 4.05Å; Y516-P524 HydrophobicContact CD2-CB 4.44Å; Y516-P524 HydrophobicContact CE1-CB 3.87Å; Y516-P524 HydrophobicContact CE1-CG 4.39Å; Y516-P524 HydrophobicContact CE2-CB 4.28Å; Y516-P524 HydrophobicContact CG-CB 4.33Å; P524-W526 PolarHBondContact O-N 3.21Å
525	I	63.8	Low	59.4	Low	61 Å²	61	49 Å²	49	31%	0.313	25%	0.253	S	S	.	.	S	Bend	trans	-58	-39.1	169	-44.5	-179.9	0	0	0	109.9	Y368 E495 L515 N517	Y368-I525 HydrophobicContact CE2-CD1 4.44Å; Y368-I525 HydrophobicContact CE2-CG2 3.99Å; E495-I525 HydrophobicContact CG-CD1 4.12Å; E495-I525 WeakPolarHBondContact OE1-CD1 3.34Å; L515-I525 HydrophobicContact CD2-CD1 4.43Å; L515-I525 HydrophobicContact CG-CB 4.35Å; L515-I525 HydrophobicContact CG-CD1 4.19Å; L515-I525 HydrophobicContact CG-CG1 4.5Å; L515-I525 PolarHBondContact O-N 2.95Å; N517-I525 HydrophobicContact CB-CD1 3.92Å; N517-I525 HydrophobicContact CB-CG1 4.22Å
526	W	58.7	Low	58	Low	40 Å²	40	53.1 Å²	53.1	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.3	-179.2	174.7	96.1	0	0	0	110.7	I513 R514 L515 P524 L545 L587	I513-W526 HydrophobicContact CB-CH2 4.4Å; I513-W526 HydrophobicContact CB-CZ3 3.92Å; I513-W526 HydrophobicContact CG2-CZ3 3.86Å; R514-W526 CarbonylContact C-O 3.55Å; R514-W526 WeakPolarHBondContact CA-O 3.19Å; L515-W526 HydrophobicContact CB-CB 4.24Å; L515-W526 PolarHBondContact N-O 2.95Å; L515-W526 PolarHBondContact O-N 3.35Å; P524-W526 PolarHBondContact O-N 3.21Å; W526-L545 HydrophobicContact CH2-CD2 4.43Å; W526-L545 HydrophobicContact CZ2-CD2 3.49Å; W526-L545 VanDerWaalsContact CZ2-CD2 3.49Å; W526-L587 HydrophobicContact CD2-CD2 4.4Å; W526-L587 HydrophobicContact CE3-CD2 4.49Å; W526-L587 HydrophobicContact CH2-CD2 3.6Å; W526-L587 HydrophobicContact CZ2-CD2 3.46Å; W526-L587 VanDerWaalsContact CZ2-CD2 3.46Å; W526-L587 HydrophobicContact CZ3-CD2 4.12Å
527	S	57.1	Low	56.6	Low	22 Å²	22	57 Å²	57	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	116.1	174.8	59.6	0	0	0	0	112.5	I513	I513-S527 CarbonylContact O-C 3.55Å; I513-S527 WeakPolarHBondContact O-CA 3.25Å
528	G	56.1	Low	54.9	Low	4 Å²	4	56.5 Å²	56.5	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.2	169.3	0	0	0	0	0	112.2	S512 I513	S512-G528 WeakPolarHBondContact CA-O 3.43Å; I513-G528 PolarHBondContact N-O 2.85Å; I513-G528 PolarHBondContact O-N 3.11Å
529	H	63.5	Low	53.6	Low	32 Å²	32	58.4 Å²	58.4	15%	0.148	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.1	176.9	-71.6	-91.7	0	0	0	109	Y502 A511	Y502-H529 AromaticContact CE1-CE1 3.93Å; Y502-H529 AromaticContact CE1-ND1 3.43Å; Y502-H529 WeakPolarHBondContact CE1-ND1 3.46Å; Y502-H529 AromaticContact CZ-ND1 3.48Å; Y502-H529 PolarHBondContact OH-ND1 2.93Å; A511-H529 WeakPolarHBondContact O-CA 3.47Å
530	V	59.6	Low	52.2	Low	10 Å²	10	51.7 Å²	51.7	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.4	-174.7	-177.3	0	0	0	0	109.7	L359 K510 A511 N543 V589 F591	L359-V530 HydrophobicContact CD1-CG2 3.9Å; K510-V530 CarbonylContact C-O 3.46Å; K510-V530 VanDerWaalsContact CA-O 3.26Å; K510-V530 WeakPolarHBondContact CA-O 3.49Å; A511-V530 HydrophobicContact CB-CB 4.44Å; A511-V530 PolarHBondContact N-O 3.14Å; A511-V530 PolarHBondContact O-N 3.03Å; V530-N543 WeakPolarHBondContact CA-OD1 3.49Å; V530-V589 HydrophobicContact CG2-CG1 4.13Å; V530-F591 HydrophobicContact CG1-CE1 3.97Å; V530-F591 HydrophobicContact CG1-CZ 3.72Å
531	N	61.2	Low	50.7	Low	10 Å²	10	53.2 Å²	53.2	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.4	-176.2	-164.4	-13.1	0	0	0	112	R509 K510 G533 N538 N543	R509-N531 PolarHBondContact O-OD1 3.09Å; K510-N531 HydrophobicContact CG-CB 4.33Å; N531-G533 PolarHBondContact OD1-N 2.96Å; N531-N538 VanDerWaalsContact CB-ND2 3.28Å; N531-N538 WeakPolarHBondContact CB-ND2 3.25Å; N531-N538 PolarHBondContact O-ND2 3.08Å; N531-N538 PolarHBondContact OD1-ND2 2.97Å; N531-N543 PolarHBondContact N-OD1 3.44Å
532	L	60.5	Low	49.4	Very low	25 Å²	25	56.5 Å²	56.5	13%	0.131	28%	0.284	C	S	.	.			trans	-99.3	10.3	-176.8	-50.5	171.7	0	0	0	113.4	N501 R509 A511 F591 P595	N501-L532 HydrophobicContact CB-CD1 4.23Å; N501-L532 VanDerWaalsContact OD1-CD1 3.26Å; N501-L532 WeakPolarHBondContact OD1-CD1 3.02Å; R509-L532 HydrophobicContact CB-CB 3.94Å; R509-L532 HydrophobicContact CB-CD1 4.39Å; R509-L532 WeakPolarHBondContact O-CA 3.26Å; R509-L532 VanDerWaalsContact O-CB 3.3Å; R509-L532 WeakPolarHBondContact O-CB 3.44Å; R509-L532 PolarHBondContact O-N 3.41Å; A511-L532 HydrophobicContact CB-CD1 4.02Å; A511-L532 HydrophobicContact CB-CD2 3.93Å; A511-L532 HydrophobicContact CB-CG 4.14Å; L532-F591 HydrophobicContact CD2-CE1 4.2Å; L532-P595 VanDerWaalsContact CD2-O 3.23Å; L532-P595 WeakPolarHBondContact CD2-O 3.5Å
533	G	53.2	Low	48	Very low	32 Å²	32	50.8 Å²	50.8	33%	0.33	26%	0.258	S	S	.	.	S	Bend	trans	-62.6	-153.6	163.6	0	0	0	0	0	113.4	N531 Y535 N538	N531-G533 PolarHBondContact OD1-N 2.96Å; G533-Y535 PolarHBondContact O-N 3.42Å; G533-N538 WeakPolarHBondContact CA-ND2 3.28Å; G533-N538 PolarHBondContact N-ND2 2.82Å
534	N	46.8	Very low	46.6	Very low	95 Å²	95	50.1 Å²	50.1	51%	0.508	26%	0.26	S	S	.	.			trans	-62.8	101.1	-164.5	-160.8	18.8	0	0	0	111.9	M536 E537 N538	N534-M536 PolarHBondContact O-N 3.44Å; N534-E537 HydrophobicContact CB-CB 4.39Å; N534-E537 PolarHBondContact ND2-OE2 2.85Å; N534-E537 CarbonylContact O-C 3.57Å; N534-E537 WeakPolarHBondContact O-CA 3.45Å; N534-E537 PolarHBondContact O-N 3.3Å; N534-N538 PolarHBondContact N-OD1 2.85Å; N534-N538 WeakPolarHBondContact O-CB 3.17Å; N534-N538 PolarHBondContact O-N 3.11Å; N534-N538 PolarHBondContact O-OD1 2.97Å
535	Y	39.3	Very low	45.1	Very low	123 Å²	123	50.1 Å²	50.1	48%	0.482	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.5	-159.7	74.1	-77.8	0	0	0	116	G533 P595	G533-Y535 PolarHBondContact O-N 3.42Å; Y535-P595 HydrophobicContact CD1-CG 4.39Å; Y535-P595 HydrophobicContact CG-CG 4Å
536	M	37	Very low	43.5	Very low	103 Å²	103	49.4 Å²	49.4	51%	0.507	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-24.2	172.6	-66.1	-62.6	-158.6	0	0	113.5	N534	N534-M536 PolarHBondContact O-N 3.44Å
537	E	34.3	Very low	42	Very low	83 Å²	83	53.3 Å²	53.3	39%	0.388	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.6	173.8	-62	-173.3	82.9	0	0	113.5	N534 T540 K541	N534-E537 HydrophobicContact CB-CB 4.39Å; N534-E537 PolarHBondContact ND2-OE2 2.85Å; N534-E537 CarbonylContact O-C 3.57Å; N534-E537 WeakPolarHBondContact O-CA 3.45Å; N534-E537 PolarHBondContact O-N 3.3Å; E537-T540 PolarHBondContact O-OG1 2.9Å; E537-K541 PolarHBondContact O-N 3.42Å; E537-K541 IonicContact OE1-NZ 3.23Å; E537-K541 PolarHBondContact OE1-NZ 2.81Å
538	N	31.8	Very low	40.7	Very low	11 Å²	11	57.2 Å²	57.2	6%	0.059	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.6	-177	-86.6	35.8	0	0	0	113.6	N531 G533 N534 N543	N531-N538 VanDerWaalsContact CB-ND2 3.28Å; N531-N538 WeakPolarHBondContact CB-ND2 3.25Å; N531-N538 PolarHBondContact O-ND2 3.08Å; N531-N538 PolarHBondContact OD1-ND2 2.97Å; G533-N538 WeakPolarHBondContact CA-ND2 3.28Å; G533-N538 PolarHBondContact N-ND2 2.82Å; N534-N538 PolarHBondContact N-OD1 2.85Å; N534-N538 WeakPolarHBondContact O-CB 3.17Å; N534-N538 PolarHBondContact O-N 3.11Å; N534-N538 PolarHBondContact O-OD1 2.97Å; N538-N543 PolarHBondContact O-ND2 3.38Å
539	I	35.9	Very low	39.3	Very low	61 Å²	61	61 Å²	61	31%	0.313	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-23.8	163.3	-66.8	173.5	0	0	0	109.9	K643	I539-K643 VanDerWaalsContact CD1-CE 3.43Å
540	T	33.9	Very low	37.5	Very low	20 Å²	20	65.9 Å²	65.9	12%	0.123	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-62.5	172.1	32.2	0	0	0	0	112.1	E537 K932 D936	E537-T540 PolarHBondContact O-OG1 2.9Å; T540-K932 HydrophobicContact CG2-CB 3.87Å; T540-D936 WeakPolarHBondContact CB-OD2 3.22Å; T540-D936 WeakPolarHBondContact CG2-OD2 3.37Å; T540-D936 WeakPolarHBondContact O-CB 3.42Å
541	K	31.7	Very low	35.9	Very low	107 Å²	107	68.6 Å²	68.6	47%	0.465	37%	0.37	S	S	.	.	S	Bend	trans	-84.1	131.5	-164	-63.5	167.1	-175.5	165.3	0	117	E537	E537-K541 PolarHBondContact O-N 3.42Å; E537-K541 IonicContact OE1-NZ 3.23Å; E537-K541 PolarHBondContact OE1-NZ 2.81Å
542	E	31.1	Very low	34.2	Very low	84 Å²	84	74.1 Å²	74.1	39%	0.393	41%	0.409	S	S	.	.			trans	51.7	56.3	165.9	-71.8	-166.4	178.8	0	0	117.3	K506 K510	K506-E542 IonicContact NZ-OE1 3.31Å; K506-E542 PolarHBondContact NZ-OE1 3.34Å; K506-E542 IonicContact NZ-OE2 2.66Å; K506-E542 PolarHBondContact NZ-OE2 2.81Å; K510-E542 IonicContact NZ-OE2 2.85Å; K510-E542 PolarHBondContact NZ-OE2 2.78Å
543	N	29.7	Very low	32.6	Very low	34 Å²	34	77.9 Å²	77.9	18%	0.182	44%	0.438	C	S	.	.			trans	-102.3	69.4	166.3	-70.2	-53.9	0	0	0	112.5	L359 V530 N531 N538 L545	L359-N543 HydrophobicContact CD1-CB 3.99Å; L359-N543 HydrophobicContact CD2-CB 3.83Å; L359-N543 HydrophobicContact CG-CB 4.38Å; V530-N543 WeakPolarHBondContact CA-OD1 3.49Å; N531-N543 PolarHBondContact N-OD1 3.44Å; N538-N543 PolarHBondContact O-ND2 3.38Å; N543-L545 PolarHBondContact O-N 3.06Å
544	S	33.5	Very low	31.4	Very low	61 Å²	61	81.9 Å²	81.9	43%	0.427	46%	0.458	S	S	.	.			trans	-77.5	103.1	-175	47.1	0	0	0	0	113.7	C546	S544-C546 VanDerWaalsContact C-N 3.26Å; S544-C546 PolarHBondContact O-N 3.22Å
545	L	29.4	Very low	30.5	Very low	35 Å²	35	82.8 Å²	82.8	18%	0.183	47%	0.472	C	S	.	.			trans	-70.6	78.3	167	-96.8	169.8	0	0	0	110.9	L359 C361 W526 N543 L547	L359-L545 HydrophobicContact CB-CD1 3.89Å; L359-L545 HydrophobicContact CD2-CD1 4.08Å; L359-L545 HydrophobicContact CD2-CG 4.41Å; C361-L545 HydrophobicContact CB-CD1 4.08Å; W526-L545 HydrophobicContact CH2-CD2 4.43Å; W526-L545 HydrophobicContact CZ2-CD2 3.49Å; W526-L545 VanDerWaalsContact CZ2-CD2 3.49Å; N543-L545 PolarHBondContact O-N 3.06Å; L545-L547 PolarHBondContact O-N 3.27Å
546	C	29.6	Very low	30.1	Very low	45 Å²	45	86.6 Å²	86.6	30%	0.304	49%	0.491	S	S	.	.			trans	-87.8	104.2	-171.7	-138.2	0	0	0	0	111.8	S544 K548	S544-C546 VanDerWaalsContact C-N 3.26Å; S544-C546 PolarHBondContact O-N 3.22Å; C546-K548 HydrophobicContact CB-CG 4.02Å; C546-K548 PolarHBondContact O-N 3.32Å; C546-K548 WeakPolarHBondContact SG-CE 3.48Å
547	L	28.1	Very low	30	Very low	123 Å²	123	90.8 Å²	90.8	64%	0.644	51%	0.509	S	S	*	.			trans	-73.7	59.6	174.2	-148.2	171.9	0	0	0	110.5	L545 S549	L545-L547 PolarHBondContact O-N 3.27Å; L547-S549 PolarHBondContact O-N 3.12Å
548	K	27.9	Very low	29.9	Very low	103 Å²	103	88.8 Å²	88.8	45%	0.448	50%	0.501	S	S	.	.			trans	-75.5	86.2	-176.6	-70.7	-162.5	-177.3	-166.3	0	110.9	C546 I550 E941	C546-K548 HydrophobicContact CB-CG 4.02Å; C546-K548 PolarHBondContact O-N 3.32Å; C546-K548 WeakPolarHBondContact SG-CE 3.48Å; K548-I550 HydrophobicContact CB-CD1 4.35Å; K548-I550 HydrophobicContact CB-CG1 4.05Å; K548-I550 PolarHBondContact O-N 3.12Å; K548-E941 WeakPolarHBondContact CE-OE2 3.32Å; K548-E941 IonicContact NZ-OE1 3.82Å; K548-E941 PolarHBondContact NZ-OE1 2.85Å; K548-E941 IonicContact NZ-OE2 2.72Å; K548-E941 PolarHBondContact NZ-OE2 3.19Å
549	S	26.8	Very low	29.9	Very low	85 Å²	85	91.8 Å²	91.8	59%	0.594	52%	0.521	S	S	*	.			trans	-64.2	95.3	160.7	-176.9	0	0	0	0	109.7	L547 A551	L547-S549 PolarHBondContact O-N 3.12Å; S549-A551 VanDerWaalsContact C-N 3.3Å; S549-A551 PolarHBondContact O-N 3.46Å
550	I	25.8	Very low	29.7	Very low	134 Å²	134	90.4 Å²	90.4	69%	0.687	52%	0.515	S	S	*	.			trans	-97.3	56.3	175	-45.5	-178.2	0	0	0	109	K548	K548-I550 HydrophobicContact CB-CD1 4.35Å; K548-I550 HydrophobicContact CB-CG1 4.05Å; K548-I550 PolarHBondContact O-N 3.12Å
551	A	27.6	Very low	29.6	Very low	66 Å²	66	94 Å²	94	55%	0.545	53%	0.531	S	S	.	.			trans	-134.4	108.3	177.5	0	0	0	0	0	110.3	L523 S549 S553	L523-A551 HydrophobicContact CD1-CB 4.25Å; S549-A551 VanDerWaalsContact C-N 3.3Å; S549-A551 PolarHBondContact O-N 3.46Å; A551-S553 PolarHBondContact O-N 2.84Å
552	S	25.4	Very low	29.7	Very low	126 Å²	126	91.9 Å²	91.9	88%	0.881	53%	0.53	S	S	*	.			trans	-89.7	101.5	-172.6	55.8	0	0	0	0	113.1
553	S	27	Very low	29.8	Very low	105 Å²	105	92.7 Å²	92.7	73%	0.734	54%	0.537	S	S	*	.			trans	-161.4	130.9	151.4	58.2	0	0	0	0	111.8	A551	A551-S553 PolarHBondContact O-N 2.84Å
554	P	26.8	Very low	29.9	Very low	115 Å²	115	95.5 Å²	95.5	75%	0.747	55%	0.55	S	S	*	*			trans	-75.7	154	166.7	33.3	-34.1	0	0	0	111.1
555	S	27.2	Very low	29.9	Very low	114 Å²	114	97.5 Å²	97.5	80%	0.797	55%	0.553	S	S	*	*			trans	46.2	83.6	157.9	62.1	0	0	0	0	117.4
556	K	32.1	Very low	30.2	Very low	204 Å²	204	97.9 Å²	97.9	89%	0.887	56%	0.558	S	S	*	*			trans	-125.7	133.8	138.5	-78.4	-170.8	173.6	-179	0	108.4
557	Q	33.5	Very low	30.3	Very low	191 Å²	191	103.6 Å²	103.6	89%	0.893	58%	0.575	S	S	*	*			trans	-65.8	145.7	173.8	-94.4	173.9	-51.6	0	0	110.1	P559	Q557-P559 WeakPolarHBondContact O-CD 3.08Å
558	D	34	Very low	30.5	Very low	41 Å²	41	99.7 Å²	99.7	22%	0.219	56%	0.557	C	S	.	*			trans	-96.8	97.3	-173.8	-174.4	-39.3	0	0	0	109.1	Q369 V560 Q561 S562	Q369-D558 VanDerWaalsContact CG-CG 3.4Å; Q369-D558 VanDerWaalsContact CG-OD1 3.28Å; Q369-D558 WeakPolarHBondContact CG-OD1 3.27Å; Q369-D558 WeakPolarHBondContact CG-OD2 3.17Å; Q369-D558 PolarHBondContact NE2-OD1 3.5Å; D558-V560 VanDerWaalsContact C-N 3.28Å; D558-V560 PolarHBondContact O-N 3.41Å; D558-V560 PolarHBondContact OD1-N 2.99Å; D558-Q561 HydrophobicContact CB-CB 3.8Å; D558-Q561 PolarHBondContact O-N 3.22Å; D558-Q561 WeakPolarHBondContact OD1-CB 3.29Å; D558-Q561 PolarHBondContact OD1-N 3.43Å; D558-S562 PolarHBondContact O-N 3.05Å
559	P	31.9	Very low	30.8	Very low	74 Å²	74	100.3 Å²	100.3	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-57.8	-36.3	177.3	15.7	-31.1	0	0	0	113.9	Q369 Q557 Q561 S562 D563	Q369-P559 VanDerWaalsContact NE2-N 3.14Å; Q557-P559 WeakPolarHBondContact O-CD 3.08Å; P559-Q561 VanDerWaalsContact C-N 3.34Å; P559-Q561 PolarHBondContact O-N 3.49Å; P559-S562 WeakPolarHBondContact CA-OG 3.18Å; P559-S562 CarbonylContact O-C 3.51Å; P559-S562 WeakPolarHBondContact O-CA 3.5Å; P559-S562 WeakPolarHBondContact O-CB 3.44Å; P559-S562 PolarHBondContact O-N 2.85Å; P559-S562 VanDerWaalsContact O-N 3.1Å; P559-S562 PolarHBondContact O-OG 3.49Å; P559-D563 PolarHBondContact O-N 2.87Å
560	V	30.9	Very low	31.1	Very low	31 Å²	31	106.1 Å²	106.1	19%	0.188	58%	0.579	C	S	.	*	H	α-helix	trans	-64.7	-36.9	176.1	177.1	0	0	0	0	111.7	Q369 D558 D563 I564	Q369-V560 HydrophobicContact CB-CB 4.36Å; Q369-V560 HydrophobicContact CB-CG2 4.08Å; Q369-V560 HydrophobicContact CG-CB 4.34Å; Q369-V560 HydrophobicContact CG-CG2 4.47Å; Q369-V560 VanDerWaalsContact NE2-N 3.14Å; D558-V560 VanDerWaalsContact C-N 3.28Å; D558-V560 PolarHBondContact O-N 3.41Å; D558-V560 PolarHBondContact OD1-N 2.99Å; V560-D563 CarbonylContact O-C 3.5Å; V560-D563 PolarHBondContact O-N 3.35Å; V560-I564 HydrophobicContact CG1-CD1 3.97Å; V560-I564 WeakPolarHBondContact O-CB 3.05Å; V560-I564 VanDerWaalsContact O-CG1 3.26Å; V560-I564 WeakPolarHBondContact O-CG1 3.31Å; V560-I564 PolarHBondContact O-N 2.93Å
561	Q	32.3	Very low	31.4	Very low	97 Å²	97	102.6 Å²	102.6	45%	0.453	56%	0.564	S	S	.	*	H	α-helix	trans	-68	-38.1	170.5	-175.7	172.7	-31.3	0	0	110.9	D558 P559 D563 I564 E565	D558-Q561 HydrophobicContact CB-CB 3.8Å; D558-Q561 PolarHBondContact O-N 3.22Å; D558-Q561 WeakPolarHBondContact OD1-CB 3.29Å; D558-Q561 PolarHBondContact OD1-N 3.43Å; P559-Q561 VanDerWaalsContact C-N 3.34Å; P559-Q561 PolarHBondContact O-N 3.49Å; Q561-D563 VanDerWaalsContact C-N 3.27Å; Q561-D563 PolarHBondContact O-N 2.82Å; Q561-I564 PolarHBondContact O-N 2.88Å; Q561-E565 HydrophobicContact CG-CG 4.38Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.43Å; Q561-E565 PolarHBondContact NE2-OE1 3.16Å; Q561-E565 WeakPolarHBondContact O-CB 3.44Å; Q561-E565 VanDerWaalsContact O-CG 3.25Å; Q561-E565 WeakPolarHBondContact O-CG 3.4Å; Q561-E565 PolarHBondContact O-N 3.13Å
562	S	33.1	Very low	31.6	Very low	62 Å²	62	105.1 Å²	105.1	43%	0.434	58%	0.578	S	S	.	*	H	α-helix	trans	-64.2	-31.8	172.8	82.2	0	0	0	0	112.8	D558 P559 S566	D558-S562 PolarHBondContact O-N 3.05Å; P559-S562 WeakPolarHBondContact CA-OG 3.18Å; P559-S562 CarbonylContact O-C 3.51Å; P559-S562 WeakPolarHBondContact O-CA 3.5Å; P559-S562 WeakPolarHBondContact O-CB 3.44Å; P559-S562 PolarHBondContact O-N 2.85Å; P559-S562 VanDerWaalsContact O-N 3.1Å; P559-S562 PolarHBondContact O-OG 3.49Å; S562-S566 WeakPolarHBondContact O-CB 3.14Å; S562-S566 PolarHBondContact O-N 2.86Å
563	D	33.2	Very low	31.8	Very low	101 Å²	101	108.4 Å²	108.4	54%	0.54	57%	0.57	S	S	.	*	H	α-helix	trans	-78.1	-33.7	173.5	-81.7	-35.6	0	0	0	112.6	P559 V560 Q561 E565 S566 Y567	P559-D563 PolarHBondContact O-N 2.87Å; V560-D563 CarbonylContact O-C 3.5Å; V560-D563 PolarHBondContact O-N 3.35Å; Q561-D563 VanDerWaalsContact C-N 3.27Å; Q561-D563 PolarHBondContact O-N 2.82Å; D563-E565 VanDerWaalsContact C-N 3.35Å; D563-S566 PolarHBondContact O-N 2.9Å; D563-S566 PolarHBondContact O-OG 2.6Å; D563-Y567 WeakPolarHBondContact O-CB 3.36Å; D563-Y567 PolarHBondContact O-N 3.05Å
564	I	31.5	Very low	32	Very low	92 Å²	92	107.3 Å²	107.3	47%	0.472	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-39.2	169.9	-72.2	165.5	0	0	0	109.9	V560 Q561 Y567 C568	V560-I564 HydrophobicContact CG1-CD1 3.97Å; V560-I564 WeakPolarHBondContact O-CB 3.05Å; V560-I564 VanDerWaalsContact O-CG1 3.26Å; V560-I564 WeakPolarHBondContact O-CG1 3.31Å; V560-I564 PolarHBondContact O-N 2.93Å; Q561-I564 PolarHBondContact O-N 2.88Å; I564-Y567 PolarHBondContact O-N 3.21Å; I564-C568 WeakPolarHBondContact O-CB 3.37Å; I564-C568 PolarHBondContact O-N 3.12Å; I564-C568 PolarHBondContact O-SG 2.62Å
565	E	33.9	Very low	32.1	Very low	104 Å²	104	108.3 Å²	108.3	49%	0.486	55%	0.547	S	S	.	.	H	α-helix	trans	-67.2	-38.8	173.2	-72.9	167.6	-171.7	0	0	111.3	Q561 D563 C568 T569	Q561-E565 HydrophobicContact CG-CG 4.38Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.43Å; Q561-E565 PolarHBondContact NE2-OE1 3.16Å; Q561-E565 WeakPolarHBondContact O-CB 3.44Å; Q561-E565 VanDerWaalsContact O-CG 3.25Å; Q561-E565 WeakPolarHBondContact O-CG 3.4Å; Q561-E565 PolarHBondContact O-N 3.13Å; D563-E565 VanDerWaalsContact C-N 3.35Å; E565-C568 PolarHBondContact O-N 2.86Å; E565-T569 WeakPolarHBondContact O-CG2 3.28Å; E565-T569 PolarHBondContact O-N 2.6Å; E565-T569 VanDerWaalsContact O-N 3.11Å; E565-T569 PolarHBondContact O-OG1 2.85Å
566	S	35.6	Very low	32.1	Very low	42 Å²	42	107.9 Å²	107.9	29%	0.294	54%	0.535	S	S	.	.	H	α-helix	trans	-70.3	-29.5	173.9	94.3	0	0	0	0	113.4	S562 D563 T569 R570	S562-S566 WeakPolarHBondContact O-CB 3.14Å; S562-S566 PolarHBondContact O-N 2.86Å; D563-S566 PolarHBondContact O-N 2.9Å; D563-S566 PolarHBondContact O-OG 2.6Å; S566-T569 WeakPolarHBondContact CA-OG1 3.42Å; S566-T569 PolarHBondContact O-OG1 3.19Å; S566-T569 VanDerWaalsContact O-OG1 3.07Å; S566-R570 VanDerWaalsContact O-CD 3.31Å; S566-R570 WeakPolarHBondContact O-CD 3.4Å; S566-R570 VanDerWaalsContact O-CG 3.24Å; S566-R570 WeakPolarHBondContact O-CG 3.39Å
567	Y	32.2	Very low	31.9	Very low	165 Å²	165	103.3 Å²	103.3	65%	0.647	52%	0.52	S	S	*	.	H	α-helix	trans	-76.9	-41.4	173.3	-171	-101.9	0	0	0	111.7	D563 I564 T569 R570	D563-Y567 WeakPolarHBondContact O-CB 3.36Å; D563-Y567 PolarHBondContact O-N 3.05Å; I564-Y567 PolarHBondContact O-N 3.21Å; Y567-T569 PolarHBondContact O-N 2.9Å; Y567-R570 PolarHBondContact O-N 2.77Å; Y567-R570 VanDerWaalsContact O-N 3.1Å
568	C	32.7	Very low	31.8	Very low	41 Å²	41	99.8 Å²	99.8	28%	0.277	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-24.5	177.3	-75.1	0	0	0	0	113.5	I564 E565 K574	I564-C568 WeakPolarHBondContact O-CB 3.37Å; I564-C568 PolarHBondContact O-N 3.12Å; I564-C568 PolarHBondContact O-SG 2.62Å; E565-C568 PolarHBondContact O-N 2.86Å; C568-K574 HydrophobicContact CB-CD 3.95Å; C568-K574 PolarHBondContact SG-NZ 3.41Å
569	T	33.8	Very low	31.6	Very low	116 Å²	116	103.8 Å²	103.8	71%	0.712	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.3	174.3	44.8	0	0	0	0	113.7	E565 S566 Y567	E565-T569 WeakPolarHBondContact O-CG2 3.28Å; E565-T569 PolarHBondContact O-N 2.6Å; E565-T569 VanDerWaalsContact O-N 3.11Å; E565-T569 PolarHBondContact O-OG1 2.85Å; S566-T569 WeakPolarHBondContact CA-OG1 3.42Å; S566-T569 PolarHBondContact O-OG1 3.19Å; S566-T569 VanDerWaalsContact O-OG1 3.07Å; Y567-T569 PolarHBondContact O-N 2.9Å
570	R	31.9	Very low	31.5	Very low	207 Å²	207	105.6 Å²	105.6	78%	0.781	52%	0.522	S	S	*	.	S	Bend	trans	-118.9	0.5	-170.6	-73.5	-179	177.3	-171.4	-0	116.6	S566 Y567	S566-R570 VanDerWaalsContact O-CD 3.31Å; S566-R570 WeakPolarHBondContact O-CD 3.4Å; S566-R570 VanDerWaalsContact O-CG 3.24Å; S566-R570 WeakPolarHBondContact O-CG 3.39Å; Y567-R570 PolarHBondContact O-N 2.77Å; Y567-R570 VanDerWaalsContact O-N 3.1Å
571	T	32.6	Very low	31.9	Very low	60 Å²	60	108.8 Å²	108.8	37%	0.368	53%	0.532	S	S	.	.			trans	-127.6	115.6	-178.5	55	0	0	0	0	114.3	R573 K574	T571-R573 PolarHBondContact O-N 2.9Å; T571-K574 PolarHBondContact O-N 2.74Å; T571-K574 VanDerWaalsContact O-N 3.12Å
572	S	32	Very low	31.9	Very low	120 Å²	120	108.3 Å²	108.3	84%	0.839	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.7	180	52.8	0	0	0	0	115.2
573	R	30.4	Very low	32.3	Very low	194 Å²	194	107.9 Å²	107.9	73%	0.732	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-15	171.4	-80.8	-179.2	168.2	166.4	-4.4	113.9	T571 H575 L576 L577	T571-R573 PolarHBondContact O-N 2.9Å; R573-H575 VanDerWaalsContact C-N 3.33Å; R573-H575 PolarHBondContact O-N 2.74Å; R573-L576 PolarHBondContact O-N 3.12Å; R573-L577 PolarHBondContact O-N 3.5Å
574	K	30.2	Very low	33	Very low	83 Å²	83	104.8 Å²	104.8	36%	0.361	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-35.8	-172.7	-165.1	175.1	-177.5	-169.1	0	113.4	C568 T571 H578	C568-K574 HydrophobicContact CB-CD 3.95Å; C568-K574 PolarHBondContact SG-NZ 3.41Å; T571-K574 PolarHBondContact O-N 2.74Å; T571-K574 VanDerWaalsContact O-N 3.12Å; K574-H578 VanDerWaalsContact CE-CD2 3.49Å; K574-H578 WeakPolarHBondContact CE-CD2 3.43Å; K574-H578 WeakPolarHBondContact CE-NE2 3.25Å; K574-H578 PolarHBondContact O-N 2.79Å; K574-H578 VanDerWaalsContact O-N 3.16Å
575	H	29.2	Very low	33.9	Very low	136 Å²	136	106.7 Å²	106.7	63%	0.63	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-50	174.8	-81.8	-70.2	0	0	0	112.5	R573 L577 H578 Q579	R573-H575 VanDerWaalsContact C-N 3.33Å; R573-H575 PolarHBondContact O-N 2.74Å; H575-L577 VanDerWaalsContact C-N 3.28Å; H575-L577 PolarHBondContact O-N 3.3Å; H575-H578 PolarHBondContact O-N 3.34Å; H575-Q579 WeakPolarHBondContact O-CB 3.46Å; H575-Q579 VanDerWaalsContact O-CG 3.26Å; H575-Q579 WeakPolarHBondContact O-CG 3.36Å; H575-Q579 PolarHBondContact O-N 3.02Å
576	L	27.3	Very low	34.8	Very low	104 Å²	104	102.6 Å²	102.6	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-59.2	-34.3	-177.1	-88.3	159.2	0	0	0	113.7	R573 H580	R573-L576 PolarHBondContact O-N 3.12Å; L576-H580 WeakPolarHBondContact O-CB 3.39Å; L576-H580 PolarHBondContact O-CD2 3.21Å
577	L	28.2	Very low	35.7	Very low	109 Å²	109	101.1 Å²	101.1	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-82.3	-42.2	178.7	-72.6	166.9	0	0	0	112.6	R573 H575 H580 Y581	R573-L577 PolarHBondContact O-N 3.5Å; H575-L577 VanDerWaalsContact C-N 3.28Å; H575-L577 PolarHBondContact O-N 3.3Å; L577-H580 PolarHBondContact O-N 3.17Å; L577-Y581 HydrophobicContact CD2-CD2 4.28Å; L577-Y581 PolarHBondContact O-N 2.76Å
578	H	30.7	Very low	37	Very low	117 Å²	117	93.5 Å²	93.5	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-72.1	-31.4	176.1	-85.9	-81.9	0	0	0	113.8	K574 H575 H580	K574-H578 VanDerWaalsContact CE-CD2 3.49Å; K574-H578 WeakPolarHBondContact CE-CD2 3.43Å; K574-H578 WeakPolarHBondContact CE-NE2 3.25Å; K574-H578 PolarHBondContact O-N 2.79Å; K574-H578 VanDerWaalsContact O-N 3.16Å; H575-H578 PolarHBondContact O-N 3.34Å; H578-H580 VanDerWaalsContact C-N 3.3Å; H578-H580 PolarHBondContact O-N 2.78Å
579	Q	30.7	Very low	38.4	Very low	124 Å²	124	92 Å²	92	58%	0.579	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.1	177.2	-72.4	177	-42.6	0	0	113.2	H575	H575-Q579 WeakPolarHBondContact O-CB 3.46Å; H575-Q579 VanDerWaalsContact O-CG 3.26Å; H575-Q579 WeakPolarHBondContact O-CG 3.36Å; H575-Q579 PolarHBondContact O-N 3.02Å
580	H	30.3	Very low	39.8	Very low	113 Å²	113	87 Å²	87	52%	0.523	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-34.8	177.6	-68	-31.4	0	0	0	113.6	L576 L577 H578	L576-H580 WeakPolarHBondContact O-CB 3.39Å; L576-H580 PolarHBondContact O-CD2 3.21Å; L577-H580 PolarHBondContact O-N 3.17Å; H578-H580 VanDerWaalsContact C-N 3.3Å; H578-H580 PolarHBondContact O-N 2.78Å
581	Y	38.5	Very low	41.4	Very low	97 Å²	97	78.7 Å²	78.7	38%	0.38	39%	0.387	S	S	.	.			trans	-136.3	52	-163.2	-57.4	-50.6	0	0	0	115.4	L577 N583 Y584	L577-Y581 HydrophobicContact CD2-CD2 4.28Å; L577-Y581 PolarHBondContact O-N 2.76Å; Y581-N583 VanDerWaalsContact C-N 3.35Å; Y581-N583 PolarHBondContact O-N 2.79Å; Y581-Y584 HydrophobicContact CD1-CD2 4.45Å; Y581-Y584 HydrophobicContact CD1-CE1 4.43Å; Y581-Y584 AromaticContact CD1-CE2 3.46Å; Y581-Y584 HydrophobicContact CD1-CE2 3.46Å; Y581-Y584 VanDerWaalsContact CD1-CE2 3.46Å; Y581-Y584 AromaticContact CD1-CZ 3.45Å; Y581-Y584 VanDerWaalsContact CD1-CZ 3.45Å; Y581-Y584 WeakPolarHBondContact CD1-OH 3.34Å; Y581-Y584 HydrophobicContact CE1-CE2 4.47Å; Y581-Y584 WeakPolarHBondContact CE1-OH 3.47Å; Y581-Y584 HydrophobicContact CG-CD2 4.45Å; Y581-Y584 AromaticContact CG-CE2 3.85Å; Y581-Y584 HydrophobicContact CG-CE2 3.85Å; Y581-Y584 WeakPolarHBondContact O-CD2 3.08Å
582	P	33	Very low	43.2	Very low	88 Å²	88	76.1 Å²	76.1	57%	0.571	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.2	-174.2	27.8	-35.8	0	0	0	115.8
583	N	40.8	Very low	45.1	Very low	52 Å²	52	71.8 Å²	71.8	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	35.4	-161.3	-70.1	-5.1	0	0	0	115.2	N353 Y581 H585	N353-N583 VanDerWaalsContact CG-ND2 3.32Å; N353-N583 PolarHBondContact ND2-OD1 2.88Å; N353-N583 VanDerWaalsContact ND2-OD1 3.12Å; N353-N583 PolarHBondContact OD1-ND2 3.36Å; N353-N583 PolarHBondContact OD1-OD1 2.85Å; N353-N583 VanDerWaalsContact OD1-OD1 3.12Å; Y581-N583 VanDerWaalsContact C-N 3.35Å; Y581-N583 PolarHBondContact O-N 2.79Å; N583-H585 VanDerWaalsContact C-N 3.35Å; N583-H585 PolarHBondContact O-N 2.88Å
584	Y	47.8	Very low	46.8	Very low	37 Å²	37	65.4 Å²	65.4	15%	0.145	32%	0.319	C	S	.	.			trans	-83	1.7	-164.9	-90.4	-115.2	0	0	0	116.9	Y581 T603 H636 Y655	Y581-Y584 HydrophobicContact CD1-CD2 4.45Å; Y581-Y584 HydrophobicContact CD1-CE1 4.43Å; Y581-Y584 AromaticContact CD1-CE2 3.46Å; Y581-Y584 HydrophobicContact CD1-CE2 3.46Å; Y581-Y584 VanDerWaalsContact CD1-CE2 3.46Å; Y581-Y584 AromaticContact CD1-CZ 3.45Å; Y581-Y584 VanDerWaalsContact CD1-CZ 3.45Å; Y581-Y584 WeakPolarHBondContact CD1-OH 3.34Å; Y581-Y584 HydrophobicContact CE1-CE2 4.47Å; Y581-Y584 WeakPolarHBondContact CE1-OH 3.47Å; Y581-Y584 HydrophobicContact CG-CD2 4.45Å; Y581-Y584 AromaticContact CG-CE2 3.85Å; Y581-Y584 HydrophobicContact CG-CE2 3.85Å; Y581-Y584 WeakPolarHBondContact O-CD2 3.08Å; Y584-T603 VanDerWaalsContact O-CG2 3.28Å; Y584-T603 WeakPolarHBondContact O-CG2 3.19Å; Y584-T603 PolarHBondContact O-OG1 2.99Å; Y584-H636 AromaticContact CD1-CE1 3.58Å; Y584-H636 AromaticContact CD1-ND1 3.73Å; Y584-H636 AromaticContact CE1-CD2 3.69Å; Y584-H636 AromaticContact CE1-CE1 3.49Å; Y584-H636 VanDerWaalsContact CE1-CE1 3.49Å; Y584-H636 WeakPolarHBondContact CE1-CE1 3.42Å; Y584-H636 AromaticContact CE1-CG 3.79Å; Y584-H636 AromaticContact CE1-ND1 3.68Å; Y584-H636 AromaticContact CE1-NE2 3.53Å; Y584-Y655 VanDerWaalsContact OH-CZ 3.26Å; Y584-Y655 PolarHBondContact OH-OH 3.13Å
585	H	50.4	Low	48.3	Very low	132 Å²	132	63.4 Å²	63.4	61%	0.611	31%	0.314	S	S	*	.			trans	-130.3	71.2	-176.7	-57.6	-61.2	0	0	0	112.3	N583	N583-H585 VanDerWaalsContact C-N 3.35Å; N583-H585 PolarHBondContact O-N 2.88Å
586	W	53.8	Low	49.9	Very low	17 Å²	17	57.4 Å²	57.4	6%	0.064	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.1	165.6	68.2	-99.3	0	0	0	111.9	L355 L360 R588 T601 T603 L637 T638	L355-W586 HydrophobicContact CD1-CB 4.04Å; L355-W586 HydrophobicContact CD1-CD2 4.07Å; L355-W586 HydrophobicContact CD1-CG 3.55Å; L360-W586 HydrophobicContact CD2-CB 4.23Å; L360-W586 HydrophobicContact CD2-CD2 4.44Å; L360-W586 HydrophobicContact CD2-CE3 4.13Å; W586-R588 HydrophobicContact CE3-CB 3.81Å; W586-R588 HydrophobicContact CZ3-CB 3.44Å; W586-R588 VanDerWaalsContact CZ3-CB 3.44Å; W586-R588 HydrophobicContact CZ3-CG 4.46Å; W586-T601 HydrophobicContact CH2-CG2 3.45Å; W586-T601 VanDerWaalsContact CH2-CG2 3.45Å; W586-T601 HydrophobicContact CZ2-CG2 4.44Å; W586-T601 HydrophobicContact CZ3-CG2 3.75Å; W586-T603 HydrophobicContact CD2-CG2 4.42Å; W586-T603 HydrophobicContact CG-CG2 4.01Å; W586-T603 VanDerWaalsContact NE1-CG2 3.3Å; W586-L637 HydrophobicContact CZ2-CB 4.21Å; W586-L637 WeakPolarHBondContact CZ2-O 3.27Å; W586-L637 PolarHBondContact NE1-O 3.05Å; W586-T638 WeakPolarHBondContact CZ2-O 3.17Å
587	L	53.4	Low	52.1	Low	12 Å²	12	52.7 Å²	52.7	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.8	171.7	-179.6	70.3	0	0	0	108	L359 L360 C361 W491 W526 L600 T602	L359-L587 VanDerWaalsContact O-O 3.12Å; L360-L587 WeakPolarHBondContact CA-O 3.38Å; C361-L587 PolarHBondContact N-O 3.34Å; W491-L587 HydrophobicContact CH2-CD1 3.88Å; W491-L587 HydrophobicContact CH2-CD2 4.5Å; W491-L587 HydrophobicContact CZ2-CD1 4.34Å; W526-L587 HydrophobicContact CD2-CD2 4.4Å; W526-L587 HydrophobicContact CE3-CD2 4.49Å; W526-L587 HydrophobicContact CH2-CD2 3.6Å; W526-L587 HydrophobicContact CZ2-CD2 3.46Å; W526-L587 VanDerWaalsContact CZ2-CD2 3.46Å; W526-L587 HydrophobicContact CZ3-CD2 4.12Å; L587-L600 HydrophobicContact CD1-CD1 4.1Å; L587-L600 HydrophobicContact CD1-CD2 3.66Å; L587-L600 HydrophobicContact CD1-CG 3.74Å; L587-T602 HydrophobicContact CD1-CG2 3.77Å
588	R	59.5	Low	54.1	Low	4 Å²	4	47.5 Å²	47.5	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.9	176.4	-165.6	176.5	-176.2	162.6	-8.8	109.1	L355 N357 L360 W586 T601 S640	L355-R588 PolarHBondContact O-NH1 3.11Å; N357-R588 VanDerWaalsContact O-CZ 3.26Å; N357-R588 PolarHBondContact O-NE 2.9Å; N357-R588 PolarHBondContact O-NH2 2.77Å; L360-R588 HydrophobicContact CD2-CB 4.34Å; W586-R588 HydrophobicContact CE3-CB 3.81Å; W586-R588 HydrophobicContact CZ3-CB 3.44Å; W586-R588 VanDerWaalsContact CZ3-CB 3.44Å; W586-R588 HydrophobicContact CZ3-CG 4.46Å; R588-T601 PolarHBondContact N-O 2.87Å; R588-T601 PolarHBondContact O-N 3Å; R588-S640 VanDerWaalsContact CD-O 3.3Å; R588-S640 WeakPolarHBondContact CD-O 3.29Å; R588-S640 PolarHBondContact NE-O 3.21Å; R588-S640 VanDerWaalsContact NE-O 3.12Å; R588-S640 PolarHBondContact NH1-O 3.24Å
589	V	61.3	Low	56.1	Low	11 Å²	11	42 Å²	42	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.9	173.4	-173.1	0	0	0	0	108.9	I513 V530 C599 L600	I513-V589 HydrophobicContact CD1-CG1 4.03Å; I513-V589 HydrophobicContact CD1-CG2 4.13Å; V530-V589 HydrophobicContact CG2-CG1 4.13Å; V589-C599 WeakPolarHBondContact CA-O 3.43Å; V589-L600 HydrophobicContact CG2-CD1 4.41Å
590	G	63.1	Low	58.1	Low	10 Å²	10	36.2 Å²	36.2	10%	0.103	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-174	172.7	0	0	0	0	0	110.9	C599	G590-C599 PolarHBondContact N-O 3.19Å; G590-C599 PolarHBondContact O-N 2.91Å
591	F	66.7	Low	60	Low	32 Å²	32	31 Å²	31	14%	0.14	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	148.1	178.4	-63	-68.6	0	0	0	111.2	V530 L532 P595 E597 L598 P642 W644	V530-F591 HydrophobicContact CG1-CE1 3.97Å; V530-F591 HydrophobicContact CG1-CZ 3.72Å; L532-F591 HydrophobicContact CD2-CE1 4.2Å; F591-P595 HydrophobicContact CD1-CB 4.39Å; F591-P595 WeakPolarHBondContact CD1-O 3.4Å; F591-P595 HydrophobicContact CE1-CB 4.34Å; F591-P595 WeakPolarHBondContact CE1-O 3.27Å; F591-E597 WeakPolarHBondContact CA-O 3.26Å; F591-L598 HydrophobicContact CD1-CD2 3.96Å; F591-L598 HydrophobicContact CE1-CD2 3.96Å; F591-P642 PolarHBondContact N-O 2.94Å; F591-P642 VanDerWaalsContact N-O 3.07Å; F591-W644 PolarHBondContact O-NE1 3.44Å
592	G	69.4	Low	61.4	Low	7 Å²	7	27.8 Å²	27.8	7%	0.072	15%	0.152	C	C	.	.			trans	-88	-140.7	168	0	0	0	0	0	111.8	Y594 E597	G592-Y594 PolarHBondContact O-N 2.83Å; G592-E597 WeakPolarHBondContact CA-OE2 3.47Å; G592-E597 PolarHBondContact N-O 3.28Å
593	S	71.8	Confident	63	Low	29 Å²	29	24.4 Å²	24.4	20%	0.203	13%	0.129	C	C	.	.	S	Bend	trans	-65.2	-6.9	-178	-46.2	0	0	0	0	115.1	E597 D647 K663	S593-E597 PolarHBondContact N-OE2 3.12Å; S593-E597 PolarHBondContact OG-OE2 3.12Å; S593-D647 WeakPolarHBondContact CB-O 3.48Å; S593-D647 PolarHBondContact OG-O 3.24Å; S593-K663 PolarHBondContact OG-NZ 3.21Å
594	Y	66.4	Low	64.3	Low	59 Å²	59	25.3 Å²	25.3	23%	0.231	13%	0.129	C	C	.	.	S	Bend	trans	-167.3	161	178.8	40.1	-94.5	0	0	0	109.6	G592 G596 E597 D610 R612	G592-Y594 PolarHBondContact O-N 2.83Å; Y594-G596 PolarHBondContact O-N 2.99Å; Y594-E597 HydrophobicContact CD2-CB 3.78Å; Y594-E597 HydrophobicContact CE2-CB 3.35Å; Y594-E597 HydrophobicContact CE2-CG 4.49Å; Y594-E597 PolarHBondContact O-N 3.4Å; Y594-E597 PolarHBondContact OH-OE1 2.83Å; Y594-D610 VanDerWaalsContact OH-CG 3.3Å; Y594-D610 PolarHBondContact OH-OD2 2.93Å; Y594-R612 VanDerWaalsContact CD2-CZ 3.48Å; Y594-R612 PolarHBondContact OH-NH2 2.91Å; Y594-R612 VanDerWaalsContact OH-NH2 3.13Å
595	P	61.5	Low	65.3	Low	41 Å²	41	25 Å²	25	27%	0.266	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25	-173.8	-27	36.6	0	0	0	115.3	L532 Y535 F591 E597	L532-P595 VanDerWaalsContact CD2-O 3.23Å; L532-P595 WeakPolarHBondContact CD2-O 3.5Å; Y535-P595 HydrophobicContact CD1-CG 4.39Å; Y535-P595 HydrophobicContact CG-CG 4Å; F591-P595 HydrophobicContact CD1-CB 4.39Å; F591-P595 WeakPolarHBondContact CD1-O 3.4Å; F591-P595 HydrophobicContact CE1-CB 4.34Å; F591-P595 WeakPolarHBondContact CE1-O 3.27Å; P595-E597 VanDerWaalsContact C-N 3.29Å
596	G	64.1	Low	66.5	Low	10 Å²	10	18.7 Å²	18.7	10%	0.103	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.1	173.6	0	0	0	0	0	115	Y594 T611	Y594-G596 PolarHBondContact O-N 2.99Å; G596-T611 PolarHBondContact O-N 2.99Å; G596-T611 PolarHBondContact O-OG1 3.2Å
597	E	72.3	Confident	67.5	Low	6 Å²	6	18.9 Å²	18.9	3%	0.028	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.5	170.9	-177.4	170	-111.6	0	0	109.4	F591 G592 S593 Y594 P595 I608 F609 K663	F591-E597 WeakPolarHBondContact CA-O 3.26Å; G592-E597 WeakPolarHBondContact CA-OE2 3.47Å; G592-E597 PolarHBondContact N-O 3.28Å; S593-E597 PolarHBondContact N-OE2 3.12Å; S593-E597 PolarHBondContact OG-OE2 3.12Å; Y594-E597 HydrophobicContact CD2-CB 3.78Å; Y594-E597 HydrophobicContact CE2-CB 3.35Å; Y594-E597 HydrophobicContact CE2-CG 4.49Å; Y594-E597 PolarHBondContact O-N 3.4Å; Y594-E597 PolarHBondContact OH-OE1 2.83Å; P595-E597 VanDerWaalsContact C-N 3.29Å; E597-I608 HydrophobicContact CG-CG2 3.46Å; E597-I608 VanDerWaalsContact CG-CG2 3.46Å; E597-I608 VanDerWaalsContact OE1-CG2 3.24Å; E597-I608 WeakPolarHBondContact OE1-CG2 3.01Å; E597-F609 WeakPolarHBondContact CA-O 3.24Å; E597-K663 WeakPolarHBondContact OE1-CE 3.39Å; E597-K663 IonicContact OE1-NZ 2.69Å; E597-K663 PolarHBondContact OE1-NZ 3.25Å; E597-K663 IonicContact OE2-NZ 2.72Å; E597-K663 PolarHBondContact OE2-NZ 3.05Å
598	L	70.3	Confident	68.6	Low	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.3	179.7	-54.9	177.6	0	0	0	109.1	A511 I513 F591 I608 F609 T611	A511-L598 HydrophobicContact CB-CD1 3.68Å; I513-L598 HydrophobicContact CD1-CD1 3.91Å; I513-L598 HydrophobicContact CG1-CD1 4.04Å; F591-L598 HydrophobicContact CD1-CD2 3.96Å; F591-L598 HydrophobicContact CE1-CD2 3.96Å; L598-I608 WeakPolarHBondContact O-CA 3.42Å; L598-F609 HydrophobicContact CB-CB 4.47Å; L598-F609 PolarHBondContact N-O 2.99Å; L598-F609 PolarHBondContact O-N 3.36Å; L598-T611 HydrophobicContact CD1-CG2 3.81Å; L598-T611 HydrophobicContact CG-CG2 4.15Å
599	C	74.1	Confident	69.1	Low	2 Å²	2	18.5 Å²	18.5	1%	0.014	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.3	170.5	-175.3	0	0	0	0	108.2	V589 G590 W644	V589-C599 WeakPolarHBondContact CA-O 3.43Å; G590-C599 PolarHBondContact N-O 3.19Å; G590-C599 PolarHBondContact O-N 2.91Å; C599-W644 HydrophobicContact CB-CZ2 4.15Å
600	L	72	Confident	69.6	Low	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.3	-179.1	-179.4	149.8	0	0	0	108.7	W491 I513 L587 V589 T602 I606 L607 F609	W491-L600 HydrophobicContact CH2-CD1 3.96Å; W491-L600 HydrophobicContact CH2-CD2 3.77Å; W491-L600 HydrophobicContact CH2-CG 4.46Å; W491-L600 HydrophobicContact CZ3-CD1 3.89Å; W491-L600 HydrophobicContact CZ3-CD2 3.84Å; I513-L600 HydrophobicContact CD1-CD1 4Å; I513-L600 HydrophobicContact CG2-CD1 4.17Å; L587-L600 HydrophobicContact CD1-CD1 4.1Å; L587-L600 HydrophobicContact CD1-CD2 3.66Å; L587-L600 HydrophobicContact CD1-CG 3.74Å; V589-L600 HydrophobicContact CG2-CD1 4.41Å; L600-T602 HydrophobicContact CD2-CG2 4.27Å; L600-I606 WeakPolarHBondContact O-CA 3.42Å; L600-L607 HydrophobicContact CD2-CB 4.42Å; L600-L607 HydrophobicContact CD2-CD1 4.29Å; L600-L607 PolarHBondContact N-O 3.35Å; L600-L607 PolarHBondContact O-N 2.93Å; L600-F609 HydrophobicContact CB-CD2 4.41Å; L600-F609 HydrophobicContact CB-CE2 3.96Å; L600-F609 HydrophobicContact CD1-CE2 4.1Å; L600-F609 HydrophobicContact CG-CE2 4.49Å
601	T	69.7	Low	69.6	Low	3 Å²	3	18.2 Å²	18.2	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.7	178	-54.1	0	0	0	0	111.5	W586 R588 R605 I606 L637 S640	W586-T601 HydrophobicContact CH2-CG2 3.45Å; W586-T601 VanDerWaalsContact CH2-CG2 3.45Å; W586-T601 HydrophobicContact CZ2-CG2 4.44Å; W586-T601 HydrophobicContact CZ3-CG2 3.75Å; R588-T601 PolarHBondContact N-O 2.87Å; R588-T601 PolarHBondContact O-N 3Å; T601-R605 WeakPolarHBondContact CA-O 3.44Å; T601-I606 HydrophobicContact CG2-CD1 4.43Å; T601-I606 HydrophobicContact CG2-CG1 3.78Å; T601-L637 HydrophobicContact CG2-CD1 3.8Å; T601-S640 WeakPolarHBondContact OG1-CB 3.16Å; T601-S640 PolarHBondContact OG1-OG 2.95Å; T601-S640 VanDerWaalsContact OG1-OG 3.08Å
602	T	68.2	Low	69.3	Low	31 Å²	31	23.3 Å²	23.3	19%	0.19	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	172.5	169.1	60.7	0	0	0	0	109.8	L587 L600 R604 R605	L587-T602 HydrophobicContact CD1-CG2 3.77Å; L600-T602 HydrophobicContact CD2-CG2 4.27Å; T602-R604 PolarHBondContact O-N 2.98Å; T602-R604 PolarHBondContact OG1-N 2.83Å; T602-R605 PolarHBondContact N-O 3.08Å; T602-R605 PolarHBondContact OG1-N 3.14Å; T602-R605 PolarHBondContact OG1-O 2.81Å; T602-R605 VanDerWaalsContact OG1-O 3.14Å
603	T	65.5	Low	68.8	Low	16 Å²	16	27.3 Å²	27.3	10%	0.098	13%	0.131	C	C	.	.	S	Bend	trans	-57.1	-13.9	173.5	48	0	0	0	0	115.4	Y584 W586 H636 L637	Y584-T603 VanDerWaalsContact O-CG2 3.28Å; Y584-T603 WeakPolarHBondContact O-CG2 3.19Å; Y584-T603 PolarHBondContact O-OG1 2.99Å; W586-T603 HydrophobicContact CD2-CG2 4.42Å; W586-T603 HydrophobicContact CG-CG2 4.01Å; W586-T603 VanDerWaalsContact NE1-CG2 3.3Å; T603-H636 CarbonylContact O-C 3.57Å; T603-H636 WeakPolarHBondContact O-CA 3.39Å; T603-H636 WeakPolarHBondContact O-CB 2.91Å; T603-L637 PolarHBondContact O-N 2.62Å
604	R	68.6	Low	67.6	Low	71 Å²	71	27.9 Å²	27.9	27%	0.268	14%	0.138	S	C	.	.	S	Bend	trans	-120.8	-26	-180	-73	-66.9	-162.8	-169.8	7.3	115.4	T602 N623 T624 S633 D635 H636	T602-R604 PolarHBondContact O-N 2.98Å; T602-R604 PolarHBondContact OG1-N 2.83Å; R604-N623 PolarHBondContact O-OD1 2.8Å; R604-T624 VanDerWaalsContact CA-OG1 3.31Å; R604-T624 WeakPolarHBondContact CA-OG1 3.47Å; R604-T624 WeakPolarHBondContact CD-OG1 3.5Å; R604-T624 WeakPolarHBondContact O-CG2 3.23Å; R604-T624 PolarHBondContact O-N 3.34Å; R604-T624 PolarHBondContact O-OG1 2.91Å; R604-S633 PolarHBondContact NH1-O 3.2Å; R604-S633 PolarHBondContact NH2-O 2.81Å; R604-D635 PolarHBondContact NH1-O 2.79Å; R604-H636 PolarHBondContact NE-CE1 2.88Å; R604-H636 VanDerWaalsContact NE-CE1 3.26Å; R604-H636 PolarHBondContact NH1-NE2 3.48Å; R604-H636 PolarHBondContact NH2-CE1 2.88Å; R604-H636 PolarHBondContact NH2-NE2 2.6Å; R604-H636 VanDerWaalsContact NH2-NE2 3.18Å
605	R	69.4	Low	66.7	Low	30 Å²	30	29.2 Å²	29.2	11%	0.113	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.2	-167.6	-75.2	176.3	165.9	-178.9	-14.4	113.6	W380 Y381 T601 T602 Q620 F622 N623 E626	W380-R605 VanDerWaalsContact NE1-NH1 3.2Å; W380-R605 PolarHBondContact O-NH2 2.95Å; Y381-R605 PolarHBondContact O-NH2 2.93Å; T601-R605 WeakPolarHBondContact CA-O 3.44Å; T602-R605 PolarHBondContact N-O 3.08Å; T602-R605 PolarHBondContact OG1-N 3.14Å; T602-R605 PolarHBondContact OG1-O 2.81Å; T602-R605 VanDerWaalsContact OG1-O 3.14Å; R605-Q620 VanDerWaalsContact CZ-OE1 3.29Å; R605-F622 CarbonylContact C-O 3.59Å; R605-F622 WeakPolarHBondContact CA-O 3.37Å; R605-N623 HydrophobicContact CG-CB 3.84Å; R605-N623 WeakPolarHBondContact CG-OD1 3.25Å; R605-N623 PolarHBondContact NE-ND2 2.89Å; R605-N623 PolarHBondContact NH2-ND2 3.49Å; R605-E626 IonicContact NH2-OE1 3.29Å
606	I	75.5	Confident	66.2	Low	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.8	164.6	-55	178.6	0	0	0	108.9	L600 T601 L621 F622 L637 V650 A652 L661	L600-I606 WeakPolarHBondContact O-CA 3.42Å; T601-I606 HydrophobicContact CG2-CD1 4.43Å; T601-I606 HydrophobicContact CG2-CG1 3.78Å; I606-L621 HydrophobicContact CB-CB 4.24Å; I606-L621 HydrophobicContact CG2-CB 4.1Å; I606-L621 HydrophobicContact CG2-CD2 3.95Å; I606-L621 PolarHBondContact O-N 2.69Å; I606-F622 HydrophobicContact CB-CB 4.46Å; I606-F622 PolarHBondContact N-O 3.43Å; I606-F622 PolarHBondContact O-N 2.84Å; I606-L637 HydrophobicContact CD1-CD1 4.07Å; I606-L637 HydrophobicContact CG1-CD1 3.73Å; I606-V650 HydrophobicContact CD1-CG1 4.16Å; I606-A652 HydrophobicContact CD1-CB 3.95Å; I606-L661 HydrophobicContact CD1-CD1 3.65Å
607	L	74.2	Confident	65.8	Low	22 Å²	22	31.9 Å²	31.9	12%	0.115	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.7	179.3	-57.4	-176	0	0	0	110.6	L600 F609 Y619 Q620	L600-L607 HydrophobicContact CD2-CB 4.42Å; L600-L607 HydrophobicContact CD2-CD1 4.29Å; L600-L607 PolarHBondContact N-O 3.35Å; L600-L607 PolarHBondContact O-N 2.93Å; L607-F609 HydrophobicContact CB-CE2 3.84Å; L607-F609 HydrophobicContact CD1-CE2 4.42Å; L607-F609 HydrophobicContact CD1-CZ 4.38Å; L607-Y619 CarbonylContact C-O 3.55Å; L607-Y619 WeakPolarHBondContact CA-O 3.48Å; L607-Q620 HydrophobicContact CD2-CB 3.96Å; L607-Q620 HydrophobicContact CD2-CG 3.91Å
608	I	76.7	Confident	65.3	Low	7 Å²	7	32.4 Å²	32.4	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.3	179	-62.5	167.7	0	0	0	109.1	E597 L598 A618 Y619 L621 W644 K663	E597-I608 HydrophobicContact CG-CG2 3.46Å; E597-I608 VanDerWaalsContact CG-CG2 3.46Å; E597-I608 VanDerWaalsContact OE1-CG2 3.24Å; E597-I608 WeakPolarHBondContact OE1-CG2 3.01Å; L598-I608 WeakPolarHBondContact O-CA 3.42Å; I608-A618 WeakPolarHBondContact O-CA 3.27Å; I608-Y619 HydrophobicContact CB-CD1 4.36Å; I608-Y619 HydrophobicContact CD1-CD1 3.88Å; I608-Y619 HydrophobicContact CD1-CE1 4.17Å; I608-Y619 PolarHBondContact N-O 2.78Å; I608-Y619 PolarHBondContact O-N 3.37Å; I608-L621 HydrophobicContact CD1-CB 3.81Å; I608-L621 HydrophobicContact CD1-CD1 4.05Å; I608-L621 HydrophobicContact CD1-CD2 4.22Å; I608-L621 HydrophobicContact CD1-CG 4.24Å; I608-L621 HydrophobicContact CG1-CB 4.24Å; I608-W644 HydrophobicContact CD1-CH2 3.58Å; I608-W644 HydrophobicContact CD1-CZ2 3.96Å; I608-W644 HydrophobicContact CG1-CH2 4.16Å; I608-W644 HydrophobicContact CG1-CZ2 4.09Å; I608-K663 HydrophobicContact CD1-CG 4.38Å
609	F	70.1	Confident	65.3	Low	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.4	176.4	-58.9	-107.1	0	0	0	109.7	A499 E597 L598 L600 L607 T611 A618	A499-F609 HydrophobicContact CB-CD1 3.74Å; A499-F609 HydrophobicContact CB-CE1 4.1Å; A499-F609 HydrophobicContact CB-CG 4.37Å; E597-F609 WeakPolarHBondContact CA-O 3.24Å; L598-F609 HydrophobicContact CB-CB 4.47Å; L598-F609 PolarHBondContact N-O 2.99Å; L598-F609 PolarHBondContact O-N 3.36Å; L600-F609 HydrophobicContact CB-CD2 4.41Å; L600-F609 HydrophobicContact CB-CE2 3.96Å; L600-F609 HydrophobicContact CD1-CE2 4.1Å; L600-F609 HydrophobicContact CG-CE2 4.49Å; L607-F609 HydrophobicContact CB-CE2 3.84Å; L607-F609 HydrophobicContact CD1-CE2 4.42Å; L607-F609 HydrophobicContact CD1-CZ 4.38Å; F609-T611 PolarHBondContact O-N 3.14Å; F609-A618 HydrophobicContact CD1-CB 3.62Å; F609-A618 HydrophobicContact CD2-CB 4.44Å; F609-A618 HydrophobicContact CE1-CB 3.38Å; F609-A618 HydrophobicContact CE2-CB 4.22Å; F609-A618 HydrophobicContact CG-CB 4.17Å; F609-A618 HydrophobicContact CZ-CB 3.7Å
610	D	72.4	Confident	65.2	Low	11 Å²	11	37.4 Å²	37.4	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	93.1	168.4	-174.7	-5.7	0	0	0	109.7	Y594 R612 I613 S616	Y594-D610 VanDerWaalsContact OH-CG 3.3Å; Y594-D610 PolarHBondContact OH-OD2 2.93Å; D610-R612 PolarHBondContact O-N 3.39Å; D610-R612 WeakPolarHBondContact OD1-CB 3.33Å; D610-R612 WeakPolarHBondContact OD1-CG 3.42Å; D610-R612 IonicContact OD1-CZ 3.92Å; D610-R612 PolarHBondContact OD1-N 2.9Å; D610-R612 IonicContact OD1-NE 3.58Å; D610-R612 PolarHBondContact OD1-NE 2.86Å; D610-R612 IonicContact OD1-NH2 2.78Å; D610-R612 IonicContact OD2-CZ 2.77Å; D610-R612 IonicContact OD2-NE 2.7Å; D610-R612 PolarHBondContact OD2-NE 3.09Å; D610-R612 IonicContact OD2-NH2 3.63Å; D610-R612 PolarHBondContact OD2-NH2 3.34Å; D610-I613 PolarHBondContact O-N 3.31Å; D610-I613 VanDerWaalsContact O-N 3.09Å; D610-I613 WeakPolarHBondContact OD2-CD1 3.26Å; D610-I613 VanDerWaalsContact OD2-CG1 3.31Å; D610-I613 WeakPolarHBondContact OD2-CG1 3.32Å; D610-S616 PolarHBondContact O-OG 3.24Å; D610-S616 VanDerWaalsContact O-OG 3.09Å
611	T	63	Low	65.4	Low	3 Å²	3	37.4 Å²	37.4	2%	0.018	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	0.3	-178.5	66.1	0	0	0	0	113.6	S485 N501 G596 L598 F609	S485-T611 VanDerWaalsContact CB-O 3.27Å; S485-T611 WeakPolarHBondContact CB-O 3.42Å; S485-T611 PolarHBondContact OG-O 3.08Å; N501-T611 VanDerWaalsContact CG-OG1 3.23Å; N501-T611 VanDerWaalsContact ND2-CB 3.34Å; N501-T611 WeakPolarHBondContact ND2-CB 3.3Å; N501-T611 PolarHBondContact ND2-O 3.26Å; N501-T611 PolarHBondContact ND2-OG1 2.91Å; N501-T611 WeakPolarHBondContact OD1-CB 3.22Å; N501-T611 PolarHBondContact OD1-OG1 2.9Å; G596-T611 PolarHBondContact O-N 2.99Å; G596-T611 PolarHBondContact O-OG1 3.2Å; L598-T611 HydrophobicContact CD1-CG2 3.81Å; L598-T611 HydrophobicContact CG-CG2 4.15Å; F609-T611 PolarHBondContact O-N 3.14Å
612	R	60.5	Low	65.8	Low	140 Å²	140	37.2 Å²	37.2	53%	0.528	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-24.2	173.5	-44.3	168.3	-56.6	163	15.4	112.8	Y594 D610	Y594-R612 VanDerWaalsContact CD2-CZ 3.48Å; Y594-R612 PolarHBondContact OH-NH2 2.91Å; Y594-R612 VanDerWaalsContact OH-NH2 3.13Å; D610-R612 PolarHBondContact O-N 3.39Å; D610-R612 WeakPolarHBondContact OD1-CB 3.33Å; D610-R612 WeakPolarHBondContact OD1-CG 3.42Å; D610-R612 IonicContact OD1-CZ 3.92Å; D610-R612 PolarHBondContact OD1-N 2.9Å; D610-R612 IonicContact OD1-NE 3.58Å; D610-R612 PolarHBondContact OD1-NE 2.86Å; D610-R612 IonicContact OD1-NH2 2.78Å; D610-R612 IonicContact OD2-CZ 2.77Å; D610-R612 IonicContact OD2-NE 2.7Å; D610-R612 PolarHBondContact OD2-NE 3.09Å; D610-R612 IonicContact OD2-NH2 3.63Å; D610-R612 PolarHBondContact OD2-NH2 3.34Å
613	I	58.4	Low	66	Low	90 Å²	90	35.8 Å²	35.8	46%	0.462	19%	0.188	S	C	.	.	S	Bend	trans	-100.8	112.3	-175.8	-63.4	176.9	0	0	0	108.9	D610 S616	D610-I613 PolarHBondContact O-N 3.31Å; D610-I613 VanDerWaalsContact O-N 3.09Å; D610-I613 WeakPolarHBondContact OD2-CD1 3.26Å; D610-I613 VanDerWaalsContact OD2-CG1 3.31Å; D610-I613 WeakPolarHBondContact OD2-CG1 3.32Å; I613-S616 WeakPolarHBondContact O-CB 3.19Å; I613-S616 PolarHBondContact O-N 2.9Å; I613-S616 PolarHBondContact O-OG 2.82Å; I613-S616 VanDerWaalsContact O-OG 3.11Å
614	A	47.1	Very low	66.2	Low	41 Å²	41	35.3 Å²	35.3	34%	0.339	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	126.1	170.3	0	0	0	0	0	109.8	E424	E424-A614 HydrophobicContact CB-CB 4.37Å; E424-A614 HydrophobicContact CG-CB 3.66Å
615	P	47.1	Very low	66.1	Low	87 Å²	87	34.1 Å²	34.1	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.7	112.8	-8.5	33.6	-25.9	0	0	0	111.5	D426	D426-P615 HydrophobicContact CB-CB 4.33Å
616	S	51.4	Low	65.8	Low	23 Å²	23	34.9 Å²	34.9	16%	0.161	19%	0.192	C	C	.	.			trans	-102	109	160.8	71.4	0	0	0	0	109.9	C487 D610 I613	C487-S616 VanDerWaalsContact CB-O 3.3Å; C487-S616 WeakPolarHBondContact CB-O 3.36Å; D610-S616 PolarHBondContact O-OG 3.24Å; D610-S616 VanDerWaalsContact O-OG 3.09Å; I613-S616 WeakPolarHBondContact O-CB 3.19Å; I613-S616 PolarHBondContact O-N 2.9Å; I613-S616 PolarHBondContact O-OG 2.82Å; I613-S616 VanDerWaalsContact O-OG 3.11Å
617	S	55.8	Low	65.2	Low	84 Å²	84	37.1 Å²	37.1	59%	0.587	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-58.3	147.9	165.2	53.1	0	0	0	0	110.4	Y619	S617-Y619 PolarHBondContact O-N 2.98Å
618	A	61.7	Low	64.3	Low	17 Å²	17	39.9 Å²	39.9	14%	0.14	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.9	129.3	178.7	0	0	0	0	0	110.8	I608 F609	I608-A618 WeakPolarHBondContact O-CA 3.27Å; F609-A618 HydrophobicContact CD1-CB 3.62Å; F609-A618 HydrophobicContact CD2-CB 4.44Å; F609-A618 HydrophobicContact CE1-CB 3.38Å; F609-A618 HydrophobicContact CE2-CB 4.22Å; F609-A618 HydrophobicContact CG-CB 4.17Å; F609-A618 HydrophobicContact CZ-CB 3.7Å
619	Y	69.7	Low	63.2	Low	83 Å²	83	44.9 Å²	44.9	33%	0.325	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.8	-174	175.8	-81.8	0	0	0	110	L607 I608 S617 L621 K663 P666	L607-Y619 CarbonylContact C-O 3.55Å; L607-Y619 WeakPolarHBondContact CA-O 3.48Å; I608-Y619 HydrophobicContact CB-CD1 4.36Å; I608-Y619 HydrophobicContact CD1-CD1 3.88Å; I608-Y619 HydrophobicContact CD1-CE1 4.17Å; I608-Y619 PolarHBondContact N-O 2.78Å; I608-Y619 PolarHBondContact O-N 3.37Å; S617-Y619 PolarHBondContact O-N 2.98Å; Y619-L621 HydrophobicContact CE1-CD1 4.42Å; Y619-L621 PolarHBondContact O-N 3.12Å; Y619-K663 PolarHBondContact OH-O 2.91Å; Y619-P666 HydrophobicContact CE1-CB 4Å; Y619-P666 HydrophobicContact CE2-CB 4.05Å; Y619-P666 HydrophobicContact CE2-CG 4.27Å; Y619-P666 VanDerWaalsContact OH-CB 3.28Å; Y619-P666 WeakPolarHBondContact OH-CB 3.28Å; Y619-P666 WeakPolarHBondContact OH-CD 3.43Å; Y619-P666 WeakPolarHBondContact OH-CG 3.42Å
620	Q	73.4	Confident	62.5	Low	24 Å²	24	45.4 Å²	45.4	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	107.3	176.1	-167.8	179.3	-94.8	0	0	109.9	R605 L607 N623 E626 N667	R605-Q620 VanDerWaalsContact CZ-OE1 3.29Å; L607-Q620 HydrophobicContact CD2-CB 3.96Å; L607-Q620 HydrophobicContact CD2-CG 3.91Å; Q620-N623 HydrophobicContact CG-CB 4.38Å; Q620-E626 VanDerWaalsContact NE2-CD 3.3Å; Q620-E626 PolarHBondContact NE2-OE1 3.48Å; Q620-E626 PolarHBondContact NE2-OE2 3.5Å; Q620-E626 VanDerWaalsContact NE2-OE2 3.1Å; Q620-N667 WeakPolarHBondContact CG-OD1 3.24Å; Q620-N667 PolarHBondContact NE2-ND2 2.85Å; Q620-N667 VanDerWaalsContact NE2-ND2 3.18Å; Q620-N667 PolarHBondContact NE2-OD1 2.86Å; Q620-N667 PolarHBondContact O-OD1 2.86Å
621	L	76.2	Confident	62	Low	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-42.6	173.9	-177.8	64.7	0	0	0	110.6	I606 I608 Y619 V650 L661 N667	I606-L621 HydrophobicContact CB-CB 4.24Å; I606-L621 HydrophobicContact CG2-CB 4.1Å; I606-L621 HydrophobicContact CG2-CD2 3.95Å; I606-L621 PolarHBondContact O-N 2.69Å; I608-L621 HydrophobicContact CD1-CB 3.81Å; I608-L621 HydrophobicContact CD1-CD1 4.05Å; I608-L621 HydrophobicContact CD1-CD2 4.22Å; I608-L621 HydrophobicContact CD1-CG 4.24Å; I608-L621 HydrophobicContact CG1-CB 4.24Å; Y619-L621 HydrophobicContact CE1-CD1 4.42Å; Y619-L621 PolarHBondContact O-N 3.12Å; L621-V650 HydrophobicContact CD2-CB 4.03Å; L621-V650 HydrophobicContact CD2-CG2 3.6Å; L621-L661 HydrophobicContact CD2-CB 4.1Å; L621-L661 HydrophobicContact CD2-CD1 4.13Å; L621-L661 HydrophobicContact CG-CB 4.23Å; L621-L661 HydrophobicContact CG-CD1 4.33Å; L621-N667 VanDerWaalsContact O-CA 3.27Å; L621-N667 WeakPolarHBondContact O-CA 3.38Å; L621-N667 PolarHBondContact O-N 3.48Å
622	F	76.2	Confident	62	Low	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	147.6	-176.7	-170.8	-119.3	0	0	0	112.4	R605 I606 T624 R627 L631 V659 L661 T669	R605-F622 CarbonylContact C-O 3.59Å; R605-F622 WeakPolarHBondContact CA-O 3.37Å; I606-F622 HydrophobicContact CB-CB 4.46Å; I606-F622 PolarHBondContact N-O 3.43Å; I606-F622 PolarHBondContact O-N 2.84Å; F622-T624 HydrophobicContact CD1-CG2 4.48Å; F622-T624 HydrophobicContact CE1-CG2 3.88Å; F622-R627 HydrophobicContact CE2-CB 4.49Å; F622-R627 HydrophobicContact CE2-CG 4.05Å; F622-L631 HydrophobicContact CE1-CD1 3.99Å; F622-L631 HydrophobicContact CZ-CD1 3.81Å; F622-V659 HydrophobicContact CE1-CG2 4.12Å; F622-V659 HydrophobicContact CZ-CG1 4.2Å; F622-V659 HydrophobicContact CZ-CG2 4.48Å; F622-L661 HydrophobicContact CB-CD1 3.59Å; F622-L661 HydrophobicContact CB-CD2 3.89Å; F622-L661 HydrophobicContact CB-CG 4.39Å; F622-L661 HydrophobicContact CD1-CD1 4.21Å; F622-L661 HydrophobicContact CD1-CD2 4.39Å; F622-L661 HydrophobicContact CD2-CD2 3.49Å; F622-L661 VanDerWaalsContact CD2-CD2 3.49Å; F622-L661 HydrophobicContact CE2-CD2 4.07Å; F622-L661 HydrophobicContact CG-CD1 3.91Å; F622-L661 HydrophobicContact CG-CD2 3.68Å; F622-L661 HydrophobicContact CG-CG 4.45Å; F622-T669 HydrophobicContact CD2-CG2 4.48Å; F622-T669 HydrophobicContact CE2-CG2 3.71Å; F622-T669 HydrophobicContact CZ-CG2 4.17Å
623	N	74.2	Confident	62	Low	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.2	170.7	-175.3	5.2	0	0	0	110.6	W380 R604 R605 Q620 S625 E626 R627	W380-N623 PolarHBondContact O-ND2 3.17Å; R604-N623 PolarHBondContact O-OD1 2.8Å; R605-N623 HydrophobicContact CG-CB 3.84Å; R605-N623 WeakPolarHBondContact CG-OD1 3.25Å; R605-N623 PolarHBondContact NE-ND2 2.89Å; R605-N623 PolarHBondContact NH2-ND2 3.49Å; Q620-N623 HydrophobicContact CG-CB 4.38Å; N623-S625 PolarHBondContact ND2-OG 3.28Å; N623-S625 PolarHBondContact OD1-N 2.68Å; N623-S625 PolarHBondContact OD1-OG 2.65Å; N623-E626 HydrophobicContact CB-CB 4.24Å; N623-E626 HydrophobicContact CB-CG 4.33Å; N623-E626 PolarHBondContact ND2-OE1 2.91Å; N623-R627 WeakPolarHBondContact O-CG 3.44Å
624	T	68.6	Low	62.2	Low	5 Å²	5	44.9 Å²	44.9	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	-68.7	-33.8	177.3	56.7	0	0	0	0	112.7	R604 F622 R627 S628 L631 L637	R604-T624 VanDerWaalsContact CA-OG1 3.31Å; R604-T624 WeakPolarHBondContact CA-OG1 3.47Å; R604-T624 WeakPolarHBondContact CD-OG1 3.5Å; R604-T624 WeakPolarHBondContact O-CG2 3.23Å; R604-T624 PolarHBondContact O-N 3.34Å; R604-T624 PolarHBondContact O-OG1 2.91Å; F622-T624 HydrophobicContact CD1-CG2 4.48Å; F622-T624 HydrophobicContact CE1-CG2 3.88Å; T624-R627 CarbonylContact O-C 3.59Å; T624-R627 PolarHBondContact O-N 2.99Å; T624-R627 VanDerWaalsContact O-N 3.13Å; T624-S628 PolarHBondContact O-N 3.43Å; T624-L631 HydrophobicContact CG2-CD1 3.58Å; T624-L637 HydrophobicContact CG2-CD2 4.3Å; T624-L637 HydrophobicContact CG2-CG 4.12Å
625	S	65.7	Low	63.2	Low	47 Å²	47	43.1 Å²	43.1	33%	0.329	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-72.1	-36.2	-178	65.6	0	0	0	0	112.9	W380 N623 R627	W380-S625 PolarHBondContact O-OG 3.38Å; N623-S625 PolarHBondContact ND2-OG 3.28Å; N623-S625 PolarHBondContact OD1-N 2.68Å; N623-S625 PolarHBondContact OD1-OG 2.65Å; S625-R627 PolarHBondContact O-N 3.06Å
626	E	64.4	Low	64.3	Low	46 Å²	46	40 Å²	40	22%	0.215	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-69.4	-12.4	171	-74.6	164	-130.8	0	0	112.9	S382 R605 Q620 N623 F629 N667	S382-E626 WeakPolarHBondContact CB-OE1 3.32Å; S382-E626 WeakPolarHBondContact CB-OE2 3.35Å; S382-E626 PolarHBondContact N-OE1 3.15Å; R605-E626 IonicContact NH2-OE1 3.29Å; Q620-E626 VanDerWaalsContact NE2-CD 3.3Å; Q620-E626 PolarHBondContact NE2-OE1 3.48Å; Q620-E626 PolarHBondContact NE2-OE2 3.5Å; Q620-E626 VanDerWaalsContact NE2-OE2 3.1Å; N623-E626 HydrophobicContact CB-CB 4.24Å; N623-E626 HydrophobicContact CB-CG 4.33Å; N623-E626 PolarHBondContact ND2-OE1 2.91Å; E626-F629 WeakPolarHBondContact O-CE1 3.44Å; E626-N667 PolarHBondContact OE2-ND2 3.42Å
627	R	62.2	Low	65.3	Low	47 Å²	47	39.2 Å²	39.2	18%	0.177	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-121.3	31.8	-175.3	-65.3	-57.7	-159.7	153.2	-3	112.9	F622 N623 T624 S625 F629 L630 L631 N667	F622-R627 HydrophobicContact CE2-CB 4.49Å; F622-R627 HydrophobicContact CE2-CG 4.05Å; N623-R627 WeakPolarHBondContact O-CG 3.44Å; T624-R627 CarbonylContact O-C 3.59Å; T624-R627 PolarHBondContact O-N 2.99Å; T624-R627 VanDerWaalsContact O-N 3.13Å; S625-R627 PolarHBondContact O-N 3.06Å; R627-F629 PolarHBondContact O-N 2.76Å; R627-L630 HydrophobicContact CB-CB 4.3Å; R627-L630 HydrophobicContact CB-CD1 4.16Å; R627-L630 HydrophobicContact CB-CG 4.22Å; R627-L630 HydrophobicContact CG-CD1 4.09Å; R627-L630 PolarHBondContact O-N 3.06Å; R627-L631 PolarHBondContact O-N 2.73Å; R627-N667 VanDerWaalsContact CZ-O 3.26Å; R627-N667 PolarHBondContact NE-O 2.76Å; R627-N667 PolarHBondContact NH2-O 2.94Å
628	S	55.7	Low	66	Low	79 Å²	79	35.9 Å²	35.9	55%	0.552	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-6.7	172.1	56.2	0	0	0	0	115.6	T624 L631	T624-S628 PolarHBondContact O-N 3.43Å; S628-L631 CarbonylContact C-O 3.55Å
629	F	53.2	Low	66.5	Low	113 Å²	113	35.6 Å²	35.6	50%	0.496	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-6	172.3	66.2	-88.2	0	0	0	113.9	E626 R627	E626-F629 WeakPolarHBondContact O-CE1 3.44Å; R627-F629 PolarHBondContact O-N 2.76Å
630	L	55.3	Low	66.6	Low	11 Å²	11	31.6 Å²	31.6	6%	0.058	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-46.1	170.8	-55.7	-172.1	0	0	0	110.5	C21 R627 T669 H672	C21-L630 HydrophobicContact CB-CD2 3.62Å; C21-L630 VanDerWaalsContact SG-CD2 3.59Å; R627-L630 HydrophobicContact CB-CB 4.3Å; R627-L630 HydrophobicContact CB-CD1 4.16Å; R627-L630 HydrophobicContact CB-CG 4.22Å; R627-L630 HydrophobicContact CG-CD1 4.09Å; R627-L630 PolarHBondContact O-N 3.06Å; L630-T669 HydrophobicContact CD1-CG2 4.43Å; L630-H672 PolarHBondContact O-CE1 2.83Å
631	L	61.4	Low	66.3	Low	12 Å²	12	30.7 Å²	30.7	6%	0.063	17%	0.169	C	C	.	.	S	Bend	trans	-101.6	152.5	-179.3	-62.6	177.7	0	0	0	110.3	F622 T624 R627 S628 D635 S657 V659 H672	F622-L631 HydrophobicContact CE1-CD1 3.99Å; F622-L631 HydrophobicContact CZ-CD1 3.81Å; T624-L631 HydrophobicContact CG2-CD1 3.58Å; R627-L631 PolarHBondContact O-N 2.73Å; S628-L631 CarbonylContact C-O 3.55Å; L631-D635 HydrophobicContact CB-CB 4.21Å; L631-S657 VanDerWaalsContact CD2-OG 3.3Å; L631-S657 WeakPolarHBondContact CD2-OG 3.28Å; L631-V659 HydrophobicContact CD2-CG1 4.41Å; L631-H672 WeakPolarHBondContact CD2-NE2 3.19Å
632	N	63.9	Low	65.4	Low	73 Å²	73	32 Å²	32	39%	0.39	18%	0.177	S	C	.	.			trans	-56.4	141.1	163.6	-179.5	-13.6	0	0	0	109	N634 D635 Y656	N632-N634 PolarHBondContact O-N 3.45Å; N632-N634 VanDerWaalsContact O-N 3.09Å; N632-N634 PolarHBondContact OD1-N 3.19Å; N632-D635 HydrophobicContact CB-CB 4.17Å; N632-D635 WeakPolarHBondContact O-CB 2.99Å; N632-D635 PolarHBondContact O-N 3.24Å; N632-Y656 HydrophobicContact CB-CD2 4.44Å
633	S	60	Low	64.9	Low	70 Å²	70	36 Å²	36	49%	0.49	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.8	175	55	0	0	0	0	112.6	R604	R604-S633 PolarHBondContact NH1-O 3.2Å; R604-S633 PolarHBondContact NH2-O 2.81Å
634	N	64.1	Low	64.9	Low	79 Å²	79	36.7 Å²	36.7	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.8	-179.7	-54.1	3.6	0	0	0	112.1	N632 H636	N632-N634 PolarHBondContact O-N 3.45Å; N632-N634 VanDerWaalsContact O-N 3.09Å; N632-N634 PolarHBondContact OD1-N 3.19Å; N634-H636 PolarHBondContact O-CD2 3.01Å
635	D	66.6	Low	65.2	Low	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.197	C	C	.	.			trans	-82.6	134.6	165.7	-142.8	-22	0	0	0	109.7	R604 L631 N632 G654 Y655 Y656 S657	R604-D635 PolarHBondContact NH1-O 2.79Å; L631-D635 HydrophobicContact CB-CB 4.21Å; N632-D635 HydrophobicContact CB-CB 4.17Å; N632-D635 WeakPolarHBondContact O-CB 2.99Å; N632-D635 PolarHBondContact O-N 3.24Å; D635-G654 WeakPolarHBondContact OD1-CA 3.21Å; D635-Y655 PolarHBondContact OD1-N 3.04Å; D635-Y656 PolarHBondContact OD1-N 3.31Å; D635-S657 WeakPolarHBondContact OD2-CB 3.39Å; D635-S657 PolarHBondContact OD2-N 3.2Å; D635-S657 PolarHBondContact OD2-OG 3.23Å
636	H	70.7	Confident	65.4	Low	23 Å²	23	37.3 Å²	37.3	11%	0.106	21%	0.211	C	C	.	.			trans	-138.5	143.2	-177.7	-73.6	-116.6	0	0	0	106.8	Y584 T603 R604 N634 T638 G654	Y584-H636 AromaticContact CD1-CE1 3.58Å; Y584-H636 AromaticContact CD1-ND1 3.73Å; Y584-H636 AromaticContact CE1-CD2 3.69Å; Y584-H636 AromaticContact CE1-CE1 3.49Å; Y584-H636 VanDerWaalsContact CE1-CE1 3.49Å; Y584-H636 WeakPolarHBondContact CE1-CE1 3.42Å; Y584-H636 AromaticContact CE1-CG 3.79Å; Y584-H636 AromaticContact CE1-ND1 3.68Å; Y584-H636 AromaticContact CE1-NE2 3.53Å; T603-H636 CarbonylContact O-C 3.57Å; T603-H636 WeakPolarHBondContact O-CA 3.39Å; T603-H636 WeakPolarHBondContact O-CB 2.91Å; R604-H636 PolarHBondContact NE-CE1 2.88Å; R604-H636 VanDerWaalsContact NE-CE1 3.26Å; R604-H636 PolarHBondContact NH1-NE2 3.48Å; R604-H636 PolarHBondContact NH2-CE1 2.88Å; R604-H636 PolarHBondContact NH2-NE2 2.6Å; R604-H636 VanDerWaalsContact NH2-NE2 3.18Å; N634-H636 PolarHBondContact O-CD2 3.01Å; H636-T638 PolarHBondContact O-N 3.28Å; H636-T638 VanDerWaalsContact O-N 3.14Å; H636-G654 WeakPolarHBondContact O-CA 3.45Å
637	L	72.9	Confident	65.9	Low	6 Å²	6	39.6 Å²	39.6	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	121.1	173	-58.1	-179.8	0	0	0	108.3	W586 T601 T603 I606 T624 A652	W586-L637 HydrophobicContact CZ2-CB 4.21Å; W586-L637 WeakPolarHBondContact CZ2-O 3.27Å; W586-L637 PolarHBondContact NE1-O 3.05Å; T601-L637 HydrophobicContact CG2-CD1 3.8Å; T603-L637 PolarHBondContact O-N 2.62Å; I606-L637 HydrophobicContact CD1-CD1 4.07Å; I606-L637 HydrophobicContact CG1-CD1 3.73Å; T624-L637 HydrophobicContact CG2-CD2 4.3Å; T624-L637 HydrophobicContact CG2-CG 4.12Å; L637-A652 HydrophobicContact CD2-CB 4.16Å
638	T	69.7	Low	66.7	Low	13 Å²	13	39.2 Å²	39.2	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-24.4	171.1	57.4	0	0	0	0	111	W586 H636 G653 G654 Y655 P680 L681	W586-T638 WeakPolarHBondContact CZ2-O 3.17Å; H636-T638 PolarHBondContact O-N 3.28Å; H636-T638 VanDerWaalsContact O-N 3.14Å; T638-G653 PolarHBondContact N-O 3.19Å; T638-G654 WeakPolarHBondContact OG1-CA 3.48Å; T638-G654 PolarHBondContact OG1-O 3.45Å; T638-Y655 HydrophobicContact CG2-CD2 3.55Å; T638-Y655 HydrophobicContact CG2-CE2 3.45Å; T638-Y655 VanDerWaalsContact CG2-CE2 3.45Å; T638-P680 HydrophobicContact CG2-CB 3.89Å; T638-L681 VanDerWaalsContact CB-O 3.29Å; T638-L681 WeakPolarHBondContact CB-O 3.36Å; T638-L681 PolarHBondContact OG1-O 3.07Å
639	Y	73.2	Confident	68	Low	11 Å²	11	36.6 Å²	36.6	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.1	176.1	-175.2	-83.3	0	0	0	111.8	P641 A652 G653 L681 A682 L684	Y639-P641 HydrophobicContact CE1-CB 3.92Å; Y639-P641 HydrophobicContact CE1-CG 4.31Å; Y639-A652 WeakPolarHBondContact O-CA 3.35Å; Y639-G653 PolarHBondContact N-O 2.89Å; Y639-G653 PolarHBondContact O-N 3.14Å; Y639-G653 VanDerWaalsContact O-O 3.14Å; Y639-L681 HydrophobicContact CD1-CD2 4.07Å; Y639-L681 HydrophobicContact CG-CD2 4.08Å; Y639-L681 HydrophobicContact CG-CG 4.22Å; Y639-A682 WeakPolarHBondContact CD2-O 3.35Å; Y639-L684 HydrophobicContact CD1-CB 4.1Å; Y639-L684 HydrophobicContact CE1-CB 3.73Å; Y639-L684 PolarHBondContact OH-O 3.37Å
640	S	71.3	Confident	69.4	Low	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.			trans	-152.4	127.3	166.9	178.1	0	0	0	0	106.9	R588 T601	R588-S640 VanDerWaalsContact CD-O 3.3Å; R588-S640 WeakPolarHBondContact CD-O 3.29Å; R588-S640 PolarHBondContact NE-O 3.21Å; R588-S640 VanDerWaalsContact NE-O 3.12Å; R588-S640 PolarHBondContact NH1-O 3.24Å; T601-S640 WeakPolarHBondContact OG1-CB 3.16Å; T601-S640 PolarHBondContact OG1-OG 2.95Å; T601-S640 VanDerWaalsContact OG1-OG 3.08Å
641	P	66.7	Low	70.8	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.032	18%	0.179	C	C	.	.			trans	-72.6	154.7	-169.1	28	-34.7	0	0	0	112.7	Y639 K643 L651 W686	Y639-P641 HydrophobicContact CE1-CB 3.92Å; Y639-P641 HydrophobicContact CE1-CG 4.31Å; P641-K643 WeakPolarHBondContact CB-O 3.13Å; P641-K643 WeakPolarHBondContact CG-O 3.15Å; P641-K643 PolarHBondContact O-N 3.28Å; P641-L651 WeakPolarHBondContact CD-O 3.3Å; P641-W686 HydrophobicContact CB-CH2 3.74Å; P641-W686 HydrophobicContact CB-CZ3 3.61Å; P641-W686 HydrophobicContact CG-CH2 4.11Å; P641-W686 HydrophobicContact CG-CZ3 3.92Å
642	P	58	Low	71.7	Confident	29 Å²	29	30.1 Å²	30.1	19%	0.188	18%	0.176	C	C	.	.	S	Bend	trans	-79.9	-6	178.7	36.3	-38.5	0	0	0	113.3	N357 F591	N357-P642 HydrophobicContact CB-CG 4.22Å; N357-P642 WeakPolarHBondContact O-CD 3.17Å; N357-P642 VanDerWaalsContact O-CG 3.25Å; N357-P642 WeakPolarHBondContact O-CG 3.45Å; F591-P642 PolarHBondContact N-O 2.94Å; F591-P642 VanDerWaalsContact N-O 3.07Å
643	K	64.6	Low	72.4	Confident	84 Å²	84	26.7 Å²	26.7	37%	0.365	16%	0.158	S	C	.	.	S	Bend	trans	-129.3	154	179.5	-64.5	177.5	-176.8	173.3	0	108.2	I539 P641 W686	I539-K643 VanDerWaalsContact CD1-CE 3.43Å; P641-K643 WeakPolarHBondContact CB-O 3.13Å; P641-K643 WeakPolarHBondContact CG-O 3.15Å; P641-K643 PolarHBondContact O-N 3.28Å; K643-W686 HydrophobicContact CB-CH2 4.29Å; K643-W686 HydrophobicContact CB-CZ2 4.33Å
644	W	75	Confident	73.1	Confident	15 Å²	15	23.5 Å²	23.5	6%	0.057	14%	0.136	C	C	.	.			trans	-107.3	154.3	-179.9	-67.6	17.9	0	0	0	111.1	F591 C599 I608 G646 Y649 V650 K663	F591-W644 PolarHBondContact O-NE1 3.44Å; C599-W644 HydrophobicContact CB-CZ2 4.15Å; I608-W644 HydrophobicContact CD1-CH2 3.58Å; I608-W644 HydrophobicContact CD1-CZ2 3.96Å; I608-W644 HydrophobicContact CG1-CH2 4.16Å; I608-W644 HydrophobicContact CG1-CZ2 4.09Å; W644-G646 PolarHBondContact O-N 2.84Å; W644-Y649 WeakPolarHBondContact CA-O 3.43Å; W644-Y649 WeakPolarHBondContact CB-O 3.42Å; W644-V650 HydrophobicContact CD2-CG2 3.52Å; W644-V650 HydrophobicContact CE3-CG2 4.12Å; W644-V650 HydrophobicContact CG-CG2 3.81Å; W644-V650 HydrophobicContact CH2-CG2 4.36Å; W644-V650 HydrophobicContact CZ2-CG2 3.79Å; W644-K663 HydrophobicContact CH2-CB 3.81Å; W644-K663 HydrophobicContact CH2-CD 3.68Å; W644-K663 HydrophobicContact CH2-CG 4.16Å; W644-K663 HydrophobicContact CZ3-CB 3.48Å; W644-K663 VanDerWaalsContact CZ3-CB 3.48Å; W644-K663 HydrophobicContact CZ3-CD 3.43Å; W644-K663 VanDerWaalsContact CZ3-CD 3.43Å; W644-K663 HydrophobicContact CZ3-CG 4.04Å
645	I	74.8	Confident	73.4	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.021	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-83.4	118.7	176.2	-44.3	177	0	0	0	108.3	D647 V648 Y649 L651 W686 F702 L721	I645-D647 VanDerWaalsContact C-N 3.27Å; I645-D647 PolarHBondContact O-N 3.37Å; I645-V648 PolarHBondContact O-N 2.91Å; I645-Y649 PolarHBondContact N-O 2.8Å; I645-Y649 PolarHBondContact O-N 3.21Å; I645-Y649 VanDerWaalsContact O-N 3.07Å; I645-L651 HydrophobicContact CD1-CB 4.14Å; I645-L651 HydrophobicContact CD1-CD2 4.22Å; I645-W686 HydrophobicContact CD1-CD2 4.4Å; I645-W686 HydrophobicContact CG1-CD2 4.24Å; I645-W686 HydrophobicContact CG1-CZ2 4.23Å; I645-F702 HydrophobicContact CG2-CD1 4.3Å; I645-F702 HydrophobicContact CG2-CE1 3.75Å; I645-F702 HydrophobicContact CG2-CE2 4.01Å; I645-F702 HydrophobicContact CG2-CZ 3.61Å; I645-L721 HydrophobicContact CB-CD1 4.07Å; I645-L721 HydrophobicContact CG2-CD1 3.48Å; I645-L721 VanDerWaalsContact CG2-CD1 3.48Å
646	G	70.5	Confident	73.5	Confident	61 Å²	61	28 Å²	28	63%	0.629	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	30.9	-179.1	0	0	0	0	0	114.6	W644 V648	W644-G646 PolarHBondContact O-N 2.84Å; G646-V648 WeakPolarHBondContact O-CG2 3.39Å; G646-V648 PolarHBondContact O-N 3.38Å
647	D	73.3	Confident	73.7	Confident	94 Å²	94	27.5 Å²	27.5	50%	0.503	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	9	-177.7	-60.1	-36.5	0	0	0	115.7	S593 I645	S593-D647 WeakPolarHBondContact CB-O 3.48Å; S593-D647 PolarHBondContact OG-O 3.24Å; I645-D647 VanDerWaalsContact C-N 3.27Å; I645-D647 PolarHBondContact O-N 3.37Å
648	V	79.9	Confident	74.1	Confident	38 Å²	38	27.2 Å²	27.2	23%	0.23	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-39	-172.1	170.4	0	0	0	0	112.7	I645 G646 D662 K663	I645-V648 PolarHBondContact O-N 2.91Å; G646-V648 WeakPolarHBondContact O-CG2 3.39Å; G646-V648 PolarHBondContact O-N 3.38Å; V648-D662 VanDerWaalsContact CG1-OD1 3.27Å; V648-D662 WeakPolarHBondContact CG1-OD1 3.25Å; V648-K663 PolarHBondContact O-N 2.89Å; V648-K663 VanDerWaalsContact O-N 3.11Å
649	Y	82	Confident	74.6	Confident	25 Å²	25	26.8 Å²	26.8	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.6	-170.7	-58.9	-79.7	0	0	0	113.2	W644 I645 L660 L661 D662 R664 L721 P727	W644-Y649 WeakPolarHBondContact CA-O 3.43Å; W644-Y649 WeakPolarHBondContact CB-O 3.42Å; I645-Y649 PolarHBondContact N-O 2.8Å; I645-Y649 PolarHBondContact O-N 3.21Å; I645-Y649 VanDerWaalsContact O-N 3.07Å; Y649-L660 HydrophobicContact CD1-CD2 4.32Å; Y649-L660 HydrophobicContact CD1-CG 4.35Å; Y649-L661 CarbonylContact C-O 3.32Å; Y649-L661 WeakPolarHBondContact CA-O 3.39Å; Y649-D662 HydrophobicContact CD1-CB 3.84Å; Y649-D662 HydrophobicContact CE1-CB 3.86Å; Y649-R664 PolarHBondContact OH-NH2 3.15Å; Y649-R664 VanDerWaalsContact OH-NH2 3.16Å; Y649-L721 HydrophobicContact CD2-CD1 3.7Å; Y649-L721 HydrophobicContact CD2-CD2 4.18Å; Y649-L721 HydrophobicContact CD2-CG 4.41Å; Y649-L721 HydrophobicContact CE2-CB 4.2Å; Y649-L721 HydrophobicContact CE2-CD1 4.09Å; Y649-L721 HydrophobicContact CE2-CD2 4.28Å; Y649-L721 HydrophobicContact CE2-CG 4.44Å; Y649-L721 HydrophobicContact CG-CD1 4.43Å; Y649-L721 HydrophobicContact CG-CD2 4.41Å; Y649-P727 HydrophobicContact CE1-CG 3.75Å; Y649-P727 WeakPolarHBondContact OH-CG 3.45Å
650	V	83.1	Confident	75.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.6	173.2	-173.7	0	0	0	0	109.1	I606 L621 W644 L661	I606-V650 HydrophobicContact CD1-CG1 4.16Å; L621-V650 HydrophobicContact CD2-CB 4.03Å; L621-V650 HydrophobicContact CD2-CG2 3.6Å; W644-V650 HydrophobicContact CD2-CG2 3.52Å; W644-V650 HydrophobicContact CE3-CG2 4.12Å; W644-V650 HydrophobicContact CG-CG2 3.81Å; W644-V650 HydrophobicContact CH2-CG2 4.36Å; W644-V650 HydrophobicContact CZ2-CG2 3.79Å; V650-L661 HydrophobicContact CB-CB 4.29Å; V650-L661 PolarHBondContact N-O 3.34Å; V650-L661 PolarHBondContact O-N 3.33Å
651	L	84.4	Confident	75.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	96.3	177	179.5	55.4	0	0	0	109.5	P641 I645 M658 L660 W673 L684 I704	P641-L651 WeakPolarHBondContact CD-O 3.3Å; I645-L651 HydrophobicContact CD1-CB 4.14Å; I645-L651 HydrophobicContact CD1-CD2 4.22Å; L651-M658 HydrophobicContact CD1-CE 3.62Å; L651-M658 HydrophobicContact CG-CE 3.9Å; L651-L660 HydrophobicContact CB-CD1 4.17Å; L651-L660 HydrophobicContact CD1-CD1 4.32Å; L651-W673 HydrophobicContact CD1-CH2 3.6Å; L651-W673 HydrophobicContact CD1-CZ2 4.08Å; L651-L684 HydrophobicContact CD2-CD1 4Å; L651-L684 HydrophobicContact CD2-CD2 4.17Å; L651-L684 HydrophobicContact CG-CD1 4.1Å; L651-I704 HydrophobicContact CD2-CD1 3.84Å; L651-I704 HydrophobicContact CD2-CG1 4.03Å; L651-I704 HydrophobicContact CD2-CG2 3.93Å
652	A	82	Confident	76.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	158.1	-179.1	0	0	0	0	0	111.4	I606 L637 Y639 M658 V659	I606-A652 HydrophobicContact CD1-CB 3.95Å; L637-A652 HydrophobicContact CD2-CB 4.16Å; Y639-A652 WeakPolarHBondContact O-CA 3.35Å; A652-M658 WeakPolarHBondContact O-CE 3.28Å; A652-V659 HydrophobicContact CB-CG2 4.02Å; A652-V659 PolarHBondContact N-O 3.19Å; A652-V659 PolarHBondContact O-N 3.03Å
653	G	78.3	Confident	77.2	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.1	-178.8	0	0	0	0	0	113.5	T638 Y639 S657 M658	T638-G653 PolarHBondContact N-O 3.19Å; Y639-G653 PolarHBondContact N-O 2.89Å; Y639-G653 PolarHBondContact O-N 3.14Å; Y639-G653 VanDerWaalsContact O-O 3.14Å; G653-S657 WeakPolarHBondContact CA-O 3.44Å; G653-M658 VanDerWaalsContact CA-SD 3.6Å
654	G	73.7	Confident	77.6	Confident	2 Å²	2	31 Å²	31	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-144.4	-175	0	0	0	0	0	114.5	D635 H636 T638 S657 H675 L681	D635-G654 WeakPolarHBondContact OD1-CA 3.21Å; H636-G654 WeakPolarHBondContact O-CA 3.45Å; T638-G654 WeakPolarHBondContact OG1-CA 3.48Å; T638-G654 PolarHBondContact OG1-O 3.45Å; G654-S657 PolarHBondContact N-O 3.26Å; G654-H675 PolarHBondContact O-NE2 3.24Å; G654-L681 PolarHBondContact O-N 2.8Å
655	Y	70.1	Confident	77.4	Confident	59 Å²	59	32.2 Å²	32.2	23%	0.231	16%	0.16	C	C	.	.	S	Bend	trans	-71.4	-34.9	179.2	-87.4	-110.4	0	0	0	112.5	Y584 D635 T638 H675 P680	Y584-Y655 VanDerWaalsContact OH-CZ 3.26Å; Y584-Y655 PolarHBondContact OH-OH 3.13Å; D635-Y655 PolarHBondContact OD1-N 3.04Å; T638-Y655 HydrophobicContact CG2-CD2 3.55Å; T638-Y655 HydrophobicContact CG2-CE2 3.45Å; T638-Y655 VanDerWaalsContact CG2-CE2 3.45Å; Y655-H675 VanDerWaalsContact C-NE2 3.25Å; Y655-H675 PolarHBondContact O-CE1 3.49Å; Y655-H675 PolarHBondContact O-NE2 2.91Å; Y655-P680 HydrophobicContact CD1-CB 4.33Å; Y655-P680 HydrophobicContact CD1-CG 3.38Å; Y655-P680 HydrophobicContact CD2-CB 4.21Å; Y655-P680 HydrophobicContact CD2-CG 4.07Å; Y655-P680 HydrophobicContact CE1-CG 3.46Å; Y655-P680 VanDerWaalsContact CE1-CG 3.46Å; Y655-P680 HydrophobicContact CE2-CB 4.41Å; Y655-P680 HydrophobicContact CE2-CG 4.15Å; Y655-P680 HydrophobicContact CG-CB 4.15Å; Y655-P680 HydrophobicContact CG-CG 3.68Å
656	Y	70.5	Confident	77.1	Confident	119 Å²	119	35 Å²	35	47%	0.467	18%	0.179	S	C	.	.	S	Bend	trans	-135.6	-33.6	-174.7	-50.2	-70.3	0	0	0	113.1	N632 D635 S674 H675	N632-Y656 HydrophobicContact CB-CD2 4.44Å; D635-Y656 PolarHBondContact OD1-N 3.31Å; Y656-S674 CarbonylContact O-C 3.53Å; Y656-S674 VanDerWaalsContact O-CA 3.23Å; Y656-S674 WeakPolarHBondContact O-CA 3.35Å; Y656-S674 WeakPolarHBondContact O-CB 3.14Å; Y656-H675 PolarHBondContact N-NE2 3.21Å; Y656-H675 PolarHBondContact O-N 2.98Å
657	S	74.3	Confident	76.9	Confident	11 Å²	11	33.5 Å²	33.5	8%	0.077	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	150	-173.1	-51.4	0	0	0	0	113.9	L631 D635 G653 G654 H672 W673	L631-S657 VanDerWaalsContact CD2-OG 3.3Å; L631-S657 WeakPolarHBondContact CD2-OG 3.28Å; D635-S657 WeakPolarHBondContact OD2-CB 3.39Å; D635-S657 PolarHBondContact OD2-N 3.2Å; D635-S657 PolarHBondContact OD2-OG 3.23Å; G653-S657 WeakPolarHBondContact CA-O 3.44Å; G654-S657 PolarHBondContact N-O 3.26Å; S657-H672 WeakPolarHBondContact CB-NE2 3.22Å; S657-H672 PolarHBondContact OG-NE2 3.43Å; S657-W673 WeakPolarHBondContact CA-O 3.49Å
658	M	81	Confident	76.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.3	161	-69	-58.3	-60.4	0	0	109.8	L651 A652 G653 H672 W673 H675 L681 L684	L651-M658 HydrophobicContact CD1-CE 3.62Å; L651-M658 HydrophobicContact CG-CE 3.9Å; A652-M658 WeakPolarHBondContact O-CE 3.28Å; G653-M658 VanDerWaalsContact CA-SD 3.6Å; M658-H672 WeakPolarHBondContact O-CA 3.35Å; M658-H672 PolarHBondContact O-CD2 2.79Å; M658-W673 HydrophobicContact CB-CD2 3.82Å; M658-W673 HydrophobicContact CB-CE3 4.31Å; M658-W673 HydrophobicContact CB-CG 4.33Å; M658-W673 HydrophobicContact CB-CH2 3.98Å; M658-W673 HydrophobicContact CB-CZ2 3.42Å; M658-W673 VanDerWaalsContact CB-CZ2 3.42Å; M658-W673 HydrophobicContact CB-CZ3 4.38Å; M658-W673 HydrophobicContact CG-CZ2 4.02Å; M658-W673 PolarHBondContact N-O 3.35Å; M658-W673 PolarHBondContact O-N 3.24Å; M658-H675 HydrophobicContact CG-CB 4.14Å; M658-L681 HydrophobicContact CE-CD2 3.97Å; M658-L681 HydrophobicContact SD-CD2 3.61Å; M658-L684 HydrophobicContact CE-CD1 3.5Å; M658-L684 VanDerWaalsContact CE-CD1 3.5Å
659	V	81	Confident	76.2	Confident	4 Å²	4	36 Å²	36	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.3	175.1	-68	0	0	0	0	111.1	F622 L631 A652 L661 T669 H672	F622-V659 HydrophobicContact CE1-CG2 4.12Å; F622-V659 HydrophobicContact CZ-CG1 4.2Å; F622-V659 HydrophobicContact CZ-CG2 4.48Å; L631-V659 HydrophobicContact CD2-CG1 4.41Å; A652-V659 HydrophobicContact CB-CG2 4.02Å; A652-V659 PolarHBondContact N-O 3.19Å; A652-V659 PolarHBondContact O-N 3.03Å; V659-L661 HydrophobicContact CB-CD2 4.43Å; V659-L661 HydrophobicContact CG2-CD1 4.28Å; V659-L661 HydrophobicContact CG2-CD2 4.39Å; V659-L661 HydrophobicContact CG2-CG 4.21Å; V659-T669 HydrophobicContact CB-CG2 3.95Å; V659-T669 HydrophobicContact CG1-CG2 3.63Å; V659-H672 HydrophobicContact CG1-CB 4.42Å
660	L	84.2	Confident	75.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.8	163.4	-169.5	72.2	0	0	0	108.4	Y649 L651 T669 V670 L671 W673 L719 L721 P727	Y649-L660 HydrophobicContact CD1-CD2 4.32Å; Y649-L660 HydrophobicContact CD1-CG 4.35Å; L651-L660 HydrophobicContact CB-CD1 4.17Å; L651-L660 HydrophobicContact CD1-CD1 4.32Å; L660-T669 CarbonylContact O-C 3.59Å; L660-V670 PolarHBondContact O-N 3.02Å; L660-L671 HydrophobicContact CB-CB 3.96Å; L660-L671 HydrophobicContact CD2-CD1 4.02Å; L660-L671 HydrophobicContact CD2-CG 4.38Å; L660-L671 PolarHBondContact N-O 3.5Å; L660-L671 PolarHBondContact O-N 3.25Å; L660-W673 HydrophobicContact CB-CZ3 4.3Å; L660-L719 HydrophobicContact CD1-CD2 4.35Å; L660-L719 HydrophobicContact CD2-CD1 4.45Å; L660-L721 HydrophobicContact CD2-CD2 3.75Å; L660-P727 HydrophobicContact CD2-CB 3.71Å; L660-P727 HydrophobicContact CD2-CG 4.31Å
661	L	81.9	Confident	75.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.7	-178.8	-55.9	166.1	0	0	0	109.1	I606 L621 F622 Y649 V650 V659 T669	I606-L661 HydrophobicContact CD1-CD1 3.65Å; L621-L661 HydrophobicContact CD2-CB 4.1Å; L621-L661 HydrophobicContact CD2-CD1 4.13Å; L621-L661 HydrophobicContact CG-CB 4.23Å; L621-L661 HydrophobicContact CG-CD1 4.33Å; F622-L661 HydrophobicContact CB-CD1 3.59Å; F622-L661 HydrophobicContact CB-CD2 3.89Å; F622-L661 HydrophobicContact CB-CG 4.39Å; F622-L661 HydrophobicContact CD1-CD1 4.21Å; F622-L661 HydrophobicContact CD1-CD2 4.39Å; F622-L661 HydrophobicContact CD2-CD2 3.49Å; F622-L661 VanDerWaalsContact CD2-CD2 3.49Å; F622-L661 HydrophobicContact CE2-CD2 4.07Å; F622-L661 HydrophobicContact CG-CD1 3.91Å; F622-L661 HydrophobicContact CG-CD2 3.68Å; F622-L661 HydrophobicContact CG-CG 4.45Å; Y649-L661 CarbonylContact C-O 3.32Å; Y649-L661 WeakPolarHBondContact CA-O 3.39Å; V650-L661 HydrophobicContact CB-CB 4.29Å; V650-L661 PolarHBondContact N-O 3.34Å; V650-L661 PolarHBondContact O-N 3.33Å; V659-L661 HydrophobicContact CB-CD2 4.43Å; V659-L661 HydrophobicContact CG2-CD1 4.28Å; V659-L661 HydrophobicContact CG2-CD2 4.39Å; V659-L661 HydrophobicContact CG2-CG 4.21Å; L661-T669 HydrophobicContact CD2-CG2 4.05Å
662	D	80.2	Confident	74.9	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.3	176.5	179.8	-20	0	0	0	108.8	V648 Y649 R664 M665 V670	V648-D662 VanDerWaalsContact CG1-OD1 3.27Å; V648-D662 WeakPolarHBondContact CG1-OD1 3.25Å; Y649-D662 HydrophobicContact CD1-CB 3.84Å; Y649-D662 HydrophobicContact CE1-CB 3.86Å; D662-R664 PolarHBondContact O-N 2.68Å; D662-R664 VanDerWaalsContact O-N 3.08Å; D662-R664 WeakPolarHBondContact OD1-CB 3.31Å; D662-R664 VanDerWaalsContact OD1-CG 3.31Å; D662-R664 WeakPolarHBondContact OD1-CG 3.32Å; D662-R664 IonicContact OD1-CZ 3.81Å; D662-R664 PolarHBondContact OD1-N 2.69Å; D662-R664 IonicContact OD1-NE 3.34Å; D662-R664 PolarHBondContact OD1-NE 3.08Å; D662-R664 IonicContact OD1-NH2 2.74Å; D662-R664 IonicContact OD2-CZ 2.6Å; D662-R664 VanDerWaalsContact OD2-CZ 3.23Å; D662-R664 IonicContact OD2-NE 3.05Å; D662-R664 PolarHBondContact OD2-NE 2.91Å; D662-R664 IonicContact OD2-NH2 2.66Å; D662-R664 PolarHBondContact OD2-NH2 3.1Å; D662-M665 HydrophobicContact CB-CB 4.45Å; D662-M665 HydrophobicContact CB-CG 4.5Å; D662-M665 CarbonylContact O-C 3.27Å; D662-M665 PolarHBondContact O-N 2.8Å; D662-V670 HydrophobicContact CB-CG2 3.57Å
663	K	76.9	Confident	74.4	Confident	51 Å²	51	38.8 Å²	38.8	22%	0.222	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.9	177.2	165.1	178.4	166.9	178.1	0	114.3	S593 E597 I608 Y619 W644 V648 M665	S593-K663 PolarHBondContact OG-NZ 3.21Å; E597-K663 WeakPolarHBondContact OE1-CE 3.39Å; E597-K663 IonicContact OE1-NZ 2.69Å; E597-K663 PolarHBondContact OE1-NZ 3.25Å; E597-K663 IonicContact OE2-NZ 2.72Å; E597-K663 PolarHBondContact OE2-NZ 3.05Å; I608-K663 HydrophobicContact CD1-CG 4.38Å; Y619-K663 PolarHBondContact OH-O 2.91Å; W644-K663 HydrophobicContact CH2-CB 3.81Å; W644-K663 HydrophobicContact CH2-CD 3.68Å; W644-K663 HydrophobicContact CH2-CG 4.16Å; W644-K663 HydrophobicContact CZ3-CB 3.48Å; W644-K663 VanDerWaalsContact CZ3-CB 3.48Å; W644-K663 HydrophobicContact CZ3-CD 3.43Å; W644-K663 VanDerWaalsContact CZ3-CD 3.43Å; W644-K663 HydrophobicContact CZ3-CG 4.04Å; V648-K663 PolarHBondContact O-N 2.89Å; V648-K663 VanDerWaalsContact O-N 3.11Å; K663-M665 VanDerWaalsContact C-N 3.27Å
664	R	72.9	Confident	74.2	Confident	163 Å²	163	40 Å²	40	62%	0.615	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.1	174.9	-56.5	171.3	-67.4	-179	2.8	112.3	Y649 D662	Y649-R664 PolarHBondContact OH-NH2 3.15Å; Y649-R664 VanDerWaalsContact OH-NH2 3.16Å; D662-R664 PolarHBondContact O-N 2.68Å; D662-R664 VanDerWaalsContact O-N 3.08Å; D662-R664 WeakPolarHBondContact OD1-CB 3.31Å; D662-R664 VanDerWaalsContact OD1-CG 3.31Å; D662-R664 WeakPolarHBondContact OD1-CG 3.32Å; D662-R664 IonicContact OD1-CZ 3.81Å; D662-R664 PolarHBondContact OD1-N 2.69Å; D662-R664 IonicContact OD1-NE 3.34Å; D662-R664 PolarHBondContact OD1-NE 3.08Å; D662-R664 IonicContact OD1-NH2 2.74Å; D662-R664 IonicContact OD2-CZ 2.6Å; D662-R664 VanDerWaalsContact OD2-CZ 3.23Å; D662-R664 IonicContact OD2-NE 3.05Å; D662-R664 PolarHBondContact OD2-NE 2.91Å; D662-R664 IonicContact OD2-NH2 2.66Å; D662-R664 PolarHBondContact OD2-NH2 3.1Å
665	M	69.7	Low	74.2	Confident	41 Å²	41	40.9 Å²	40.9	20%	0.202	19%	0.185	C	C	.	.	S	Bend	trans	-128.5	83	-173.9	-60.7	-158.5	-173.2	0	0	112.2	A11 D662 K663 N667 R668 V670	A11-M665 HydrophobicContact CB-CE 3.46Å; A11-M665 VanDerWaalsContact CB-CE 3.46Å; D662-M665 HydrophobicContact CB-CB 4.45Å; D662-M665 HydrophobicContact CB-CG 4.5Å; D662-M665 CarbonylContact O-C 3.27Å; D662-M665 PolarHBondContact O-N 2.8Å; K663-M665 VanDerWaalsContact C-N 3.27Å; M665-N667 PolarHBondContact O-N 3.3Å; M665-R668 HydrophobicContact CB-CB 4.04Å; M665-R668 PolarHBondContact O-N 3.22Å; M665-V670 HydrophobicContact SD-CG2 4.45Å
666	P	69.3	Low	74.1	Confident	63 Å²	63	39.3 Å²	39.3	41%	0.409	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	138.6	-175.1	18.9	-23.6	0	0	0	112.1	Y619 R668	Y619-P666 HydrophobicContact CE1-CB 4Å; Y619-P666 HydrophobicContact CE2-CB 4.05Å; Y619-P666 HydrophobicContact CE2-CG 4.27Å; Y619-P666 VanDerWaalsContact OH-CB 3.28Å; Y619-P666 WeakPolarHBondContact OH-CB 3.28Å; Y619-P666 WeakPolarHBondContact OH-CD 3.43Å; Y619-P666 WeakPolarHBondContact OH-CG 3.42Å; P666-R668 PolarHBondContact O-N 2.91Å
667	N	67.4	Low	74.1	Confident	30 Å²	30	34.2 Å²	34.2	16%	0.16	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	19.1	180	-67.6	-38.2	0	0	0	114.7	Q620 L621 E626 R627 M665	Q620-N667 WeakPolarHBondContact CG-OD1 3.24Å; Q620-N667 PolarHBondContact NE2-ND2 2.85Å; Q620-N667 VanDerWaalsContact NE2-ND2 3.18Å; Q620-N667 PolarHBondContact NE2-OD1 2.86Å; Q620-N667 PolarHBondContact O-OD1 2.86Å; L621-N667 VanDerWaalsContact O-CA 3.27Å; L621-N667 WeakPolarHBondContact O-CA 3.38Å; L621-N667 PolarHBondContact O-N 3.48Å; E626-N667 PolarHBondContact OE2-ND2 3.42Å; R627-N667 VanDerWaalsContact CZ-O 3.26Å; R627-N667 PolarHBondContact NE-O 2.76Å; R627-N667 PolarHBondContact NH2-O 2.94Å; M665-N667 PolarHBondContact O-N 3.3Å
668	R	66.6	Low	73.7	Confident	153 Å²	153	36.9 Å²	36.9	58%	0.577	18%	0.184	S	C	*	.			trans	-117.2	133.7	179.6	-65.8	178.1	-176.7	-162.5	1	111	M665 P666	M665-R668 HydrophobicContact CB-CB 4.04Å; M665-R668 PolarHBondContact O-N 3.22Å; P666-R668 PolarHBondContact O-N 2.91Å
669	T	70.7	Confident	73.1	Confident	30 Å²	30	41 Å²	41	18%	0.184	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.8	167.3	51.8	0	0	0	0	109.2	F622 L630 V659 L660 L661	F622-T669 HydrophobicContact CD2-CG2 4.48Å; F622-T669 HydrophobicContact CE2-CG2 3.71Å; F622-T669 HydrophobicContact CZ-CG2 4.17Å; L630-T669 HydrophobicContact CD1-CG2 4.43Å; V659-T669 HydrophobicContact CB-CG2 3.95Å; V659-T669 HydrophobicContact CG1-CG2 3.63Å; L660-T669 CarbonylContact O-C 3.59Å; L661-T669 HydrophobicContact CD2-CG2 4.05Å
670	V	72.5	Confident	72.5	Confident	23 Å²	23	42.4 Å²	42.4	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-38.5	171.2	-175.2	0	0	0	0	110.4	Q64 L660 D662 M665 P727	Q64-V670 PolarHBondContact NE2-O 2.85Å; L660-V670 PolarHBondContact O-N 3.02Å; D662-V670 HydrophobicContact CB-CG2 3.57Å; M665-V670 HydrophobicContact SD-CG2 4.45Å; V670-P727 HydrophobicContact CG1-CB 4.02Å; V670-P727 HydrophobicContact CG1-CG 3.81Å
671	L	74.1	Confident	72	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.058	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146	169.7	-64.9	173.1	0	0	0	109.4	Q64 L660 W673 L719 P727	Q64-L671 HydrophobicContact CB-CD2 3.88Å; L660-L671 HydrophobicContact CB-CB 3.96Å; L660-L671 HydrophobicContact CD2-CD1 4.02Å; L660-L671 HydrophobicContact CD2-CG 4.38Å; L660-L671 PolarHBondContact N-O 3.5Å; L660-L671 PolarHBondContact O-N 3.25Å; L671-W673 HydrophobicContact CB-CE3 3.97Å; L671-W673 HydrophobicContact CB-CZ3 3.61Å; L671-L719 HydrophobicContact CD1-CD1 3.79Å; L671-P727 HydrophobicContact CD1-CB 4.13Å; L671-P727 HydrophobicContact CG-CB 4.48Å
672	H	75.6	Confident	71.2	Confident	44 Å²	44	42.8 Å²	42.8	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	130.3	174.1	167.6	-118.7	0	0	0	109.1	L630 L631 S657 M658 V659	L630-H672 PolarHBondContact O-CE1 2.83Å; L631-H672 WeakPolarHBondContact CD2-NE2 3.19Å; S657-H672 WeakPolarHBondContact CB-NE2 3.22Å; S657-H672 PolarHBondContact OG-NE2 3.43Å; M658-H672 WeakPolarHBondContact O-CA 3.35Å; M658-H672 PolarHBondContact O-CD2 2.79Å; V659-H672 HydrophobicContact CG1-CB 4.42Å
673	W	71.5	Confident	70.6	Confident	7 Å²	7	43 Å²	43	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162	179.4	63.6	102	0	0	0	110.1	L651 S657 M658 L660 L671 F717 Y729	L651-W673 HydrophobicContact CD1-CH2 3.6Å; L651-W673 HydrophobicContact CD1-CZ2 4.08Å; S657-W673 WeakPolarHBondContact CA-O 3.49Å; M658-W673 HydrophobicContact CB-CD2 3.82Å; M658-W673 HydrophobicContact CB-CE3 4.31Å; M658-W673 HydrophobicContact CB-CG 4.33Å; M658-W673 HydrophobicContact CB-CH2 3.98Å; M658-W673 HydrophobicContact CB-CZ2 3.42Å; M658-W673 VanDerWaalsContact CB-CZ2 3.42Å; M658-W673 HydrophobicContact CB-CZ3 4.38Å; M658-W673 HydrophobicContact CG-CZ2 4.02Å; M658-W673 PolarHBondContact N-O 3.35Å; M658-W673 PolarHBondContact O-N 3.24Å; L660-W673 HydrophobicContact CB-CZ3 4.3Å; L671-W673 HydrophobicContact CB-CE3 3.97Å; L671-W673 HydrophobicContact CB-CZ3 3.61Å; W673-F717 HydrophobicContact CH2-CE2 4.38Å; W673-F717 HydrophobicContact CH2-CZ 4.41Å; W673-F717 HydrophobicContact CZ2-CE1 4.36Å; W673-F717 AromaticContact CZ2-CE2 3.62Å; W673-F717 HydrophobicContact CZ2-CE2 3.62Å; W673-F717 AromaticContact CZ2-CZ 3.46Å; W673-F717 HydrophobicContact CZ2-CZ 3.46Å; W673-F717 VanDerWaalsContact CZ2-CZ 3.46Å; W673-Y729 AromaticContact CD1-CE2 3.89Å; W673-Y729 HydrophobicContact CD2-CD2 4.05Å; W673-Y729 HydrophobicContact CD2-CE2 4.36Å; W673-Y729 AromaticContact CE2-CD2 3.91Å; W673-Y729 AromaticContact CE2-CE2 4Å; W673-Y729 HydrophobicContact CG-CD2 4.33Å; W673-Y729 HydrophobicContact CG-CE2 4.32Å; W673-Y729 HydrophobicContact CZ2-CD2 4.36Å; W673-Y729 AromaticContact NE1-CE2 3.66Å
674	S	73.8	Confident	70.6	Confident	27 Å²	27	41 Å²	41	19%	0.189	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	143	170.1	67.7	0	0	0	0	111.1	N25 R26 P27 Y656	N25-S674 PolarHBondContact O-N 2.95Å; N25-S674 PolarHBondContact O-OG 3.38Å; R26-S674 WeakPolarHBondContact CA-OG 3.24Å; P27-S674 WeakPolarHBondContact CD-O 3.26Å; Y656-S674 CarbonylContact O-C 3.53Å; Y656-S674 VanDerWaalsContact O-CA 3.23Å; Y656-S674 WeakPolarHBondContact O-CA 3.35Å; Y656-S674 WeakPolarHBondContact O-CB 3.14Å
675	H	73.3	Confident	70.7	Confident	20 Å²	20	34 Å²	34	9%	0.093	18%	0.184	C	C	.	.			trans	-88.4	166.2	170.7	67.2	64.8	0	0	0	111	G654 Y655 Y656 M658 K679 L681 M706	G654-H675 PolarHBondContact O-NE2 3.24Å; Y655-H675 VanDerWaalsContact C-NE2 3.25Å; Y655-H675 PolarHBondContact O-CE1 3.49Å; Y655-H675 PolarHBondContact O-NE2 2.91Å; Y656-H675 PolarHBondContact N-NE2 3.21Å; Y656-H675 PolarHBondContact O-N 2.98Å; M658-H675 HydrophobicContact CG-CB 4.14Å; H675-K679 PolarHBondContact CE1-O 3.34Å; H675-L681 PolarHBondContact NE2-N 2.72Å; H675-M706 HydrophobicContact CB-CE 3.78Å; H675-M706 HydrophobicContact CB-SD 3.92Å
676	N	69.3	Low	71.1	Confident	26 Å²	26	35.4 Å²	35.4	14%	0.139	19%	0.187	C	C	.	.			trans	-110.2	-2.4	-170.4	50.1	-6.5	0	0	0	113	V29 M706 S715 C733 S735	V29-N676 HydrophobicContact CG2-CB 4.34Å; N676-M706 WeakPolarHBondContact OD1-CE 3.28Å; N676-S715 PolarHBondContact ND2-OG 3.37Å; N676-S715 VanDerWaalsContact OD1-CB 3.31Å; N676-S715 WeakPolarHBondContact OD1-CB 3.29Å; N676-S715 PolarHBondContact OD1-OG 3.37Å; N676-C733 VanDerWaalsContact ND2-CB 3.25Å; N676-C733 WeakPolarHBondContact ND2-CB 3.46Å; N676-C733 PolarHBondContact ND2-O 2.88Å; N676-C733 PolarHBondContact ND2-SG 3.17Å; N676-S735 WeakPolarHBondContact ND2-CB 3.36Å; N676-S735 PolarHBondContact ND2-OG 2.64Å
677	L	69.8	Low	71.5	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.063	18%	0.175	C	C	.	.			trans	-60.5	139.6	177.1	-64.3	170.8	0	0	0	110.4	K679 L681 M706	L677-K679 WeakPolarHBondContact CB-O 3.26Å; L677-K679 PolarHBondContact O-N 2.89Å; L677-K679 VanDerWaalsContact O-N 3.08Å; L677-L681 HydrophobicContact CD1-CD1 3.97Å; L677-M706 HydrophobicContact CD1-CB 4.3Å; L677-M706 HydrophobicContact CD1-CG 4.03Å; L677-M706 HydrophobicContact CD1-SD 4.1Å; L677-M706 HydrophobicContact CG-CG 4.38Å; L677-M706 HydrophobicContact CG-SD 4.45Å
678	A	65.8	Low	72.2	Confident	67 Å²	67	38.1 Å²	38.1	55%	0.554	20%	0.195	S	C	*	.	S	Bend	trans	-63.9	-14.2	178.4	0	0	0	0	0	114.4	D713	A678-D713 HydrophobicContact CB-CB 4.49Å; A678-D713 PolarHBondContact N-OD2 2.91Å
679	K	68.8	Low	72.6	Confident	86 Å²	86	31 Å²	31	37%	0.374	17%	0.168	S	C	.	.	S	Bend	trans	-143.8	168.9	-178.5	-71.2	-63.5	-177.9	-175.8	0	110.6	H675 L677 S708 Q709 Y710	H675-K679 PolarHBondContact CE1-O 3.34Å; L677-K679 WeakPolarHBondContact CB-O 3.26Å; L677-K679 PolarHBondContact O-N 2.89Å; L677-K679 VanDerWaalsContact O-N 3.08Å; K679-S708 VanDerWaalsContact O-CB 3.27Å; K679-S708 WeakPolarHBondContact O-CB 3.38Å; K679-Q709 WeakPolarHBondContact CB-O 3.2Å; K679-Y710 VanDerWaalsContact CE-O 3.23Å; K679-Y710 WeakPolarHBondContact CE-O 3.49Å; K679-Y710 WeakPolarHBondContact CG-O 3.48Å
680	P	68.3	Low	72.7	Confident	34 Å²	34	33.6 Å²	33.6	22%	0.221	18%	0.181	C	C	.	.			trans	-57.6	154.4	-179.5	-26.3	37	0	0	0	113.4	T638 Y655 A682 S708	T638-P680 HydrophobicContact CG2-CB 3.89Å; Y655-P680 HydrophobicContact CD1-CB 4.33Å; Y655-P680 HydrophobicContact CD1-CG 3.38Å; Y655-P680 HydrophobicContact CD2-CB 4.21Å; Y655-P680 HydrophobicContact CD2-CG 4.07Å; Y655-P680 HydrophobicContact CE1-CG 3.46Å; Y655-P680 VanDerWaalsContact CE1-CG 3.46Å; Y655-P680 HydrophobicContact CE2-CB 4.41Å; Y655-P680 HydrophobicContact CE2-CG 4.15Å; Y655-P680 HydrophobicContact CG-CB 4.15Å; Y655-P680 HydrophobicContact CG-CG 3.68Å; P680-A682 PolarHBondContact O-N 3.05Å; P680-S708 WeakPolarHBondContact O-CA 3.45Å; P680-S708 WeakPolarHBondContact O-CB 3.33Å
681	L	73.3	Confident	72.4	Confident	2 Å²	2	37 Å²	37	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121	178.2	-179.6	59.2	0	0	0	110.8	T638 Y639 G654 M658 H675 L677 Y683 L684 M706	T638-L681 VanDerWaalsContact CB-O 3.29Å; T638-L681 WeakPolarHBondContact CB-O 3.36Å; T638-L681 PolarHBondContact OG1-O 3.07Å; Y639-L681 HydrophobicContact CD1-CD2 4.07Å; Y639-L681 HydrophobicContact CG-CD2 4.08Å; Y639-L681 HydrophobicContact CG-CG 4.22Å; G654-L681 PolarHBondContact O-N 2.8Å; M658-L681 HydrophobicContact CE-CD2 3.97Å; M658-L681 HydrophobicContact SD-CD2 3.61Å; H675-L681 PolarHBondContact NE2-N 2.72Å; L677-L681 HydrophobicContact CD1-CD1 3.97Å; L681-Y683 WeakPolarHBondContact CD1-O 3.34Å; L681-L684 HydrophobicContact CD1-CB 4.33Å; L681-L684 HydrophobicContact CD2-CB 4.24Å; L681-L684 HydrophobicContact CD2-CD1 3.99Å; L681-M706 HydrophobicContact CD1-CB 3.63Å
682	A	64.7	Low	71.8	Confident	5 Å²	5	38.1 Å²	38.1	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-42	176.8	0	0	0	0	0	112.2	Y639 P680 T707 Q709	Y639-A682 WeakPolarHBondContact CD2-O 3.35Å; P680-A682 PolarHBondContact O-N 3.05Å; A682-T707 PolarHBondContact N-O 2.71Å; A682-Q709 HydrophobicContact CB-CB 4.38Å; A682-Q709 HydrophobicContact CB-CG 3.73Å
683	Y	68.6	Low	71.3	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.9	174.4	-62.6	-108	0	0	0	111.6	Y354 L681 M706 T707 I769 C770 I772	Y354-Y683 WeakPolarHBondContact CD1-OH 3.4Å; Y354-Y683 WeakPolarHBondContact CE1-OH 3.27Å; L681-Y683 WeakPolarHBondContact CD1-O 3.34Å; Y683-M706 WeakPolarHBondContact O-CA 3.32Å; Y683-T707 PolarHBondContact N-O 3.14Å; Y683-T707 VanDerWaalsContact N-O 3.13Å; Y683-T707 PolarHBondContact O-N 3.01Å; Y683-I769 WeakPolarHBondContact CE2-O 3.45Å; Y683-I769 PolarHBondContact OH-O 3.29Å; Y683-C770 WeakPolarHBondContact CE1-O 3.37Å; Y683-C770 WeakPolarHBondContact OH-CA 3.28Å; Y683-C770 PolarHBondContact OH-O 3.48Å; Y683-I772 HydrophobicContact CG-CG2 4.33Å
684	L	75.5	Confident	70.9	Confident	9 Å²	9	40.9 Å²	40.9	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.7	173.3	-177.6	156.5	0	0	0	108.5	Y639 L651 M658 L681 W686 I704 S705 M706	Y639-L684 HydrophobicContact CD1-CB 4.1Å; Y639-L684 HydrophobicContact CE1-CB 3.73Å; Y639-L684 PolarHBondContact OH-O 3.37Å; L651-L684 HydrophobicContact CD2-CD1 4Å; L651-L684 HydrophobicContact CD2-CD2 4.17Å; L651-L684 HydrophobicContact CG-CD1 4.1Å; M658-L684 HydrophobicContact CE-CD1 3.5Å; M658-L684 VanDerWaalsContact CE-CD1 3.5Å; L681-L684 HydrophobicContact CD1-CB 4.33Å; L681-L684 HydrophobicContact CD2-CB 4.24Å; L681-L684 HydrophobicContact CD2-CD1 3.99Å; L684-W686 HydrophobicContact CD2-CE3 3.69Å; L684-W686 HydrophobicContact CD2-CZ3 4.2Å; L684-I704 HydrophobicContact CD1-CG2 3.71Å; L684-I704 HydrophobicContact CD2-CG2 3.81Å; L684-I704 HydrophobicContact CG-CG2 3.66Å; L684-S705 CarbonylContact C-O 3.57Å; L684-S705 WeakPolarHBondContact CA-O 3.44Å; L684-M706 HydrophobicContact CG-CB 4.46Å
685	A	75.1	Confident	70.3	Confident	17 Å²	17	44 Å²	44	14%	0.14	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.1	169.3	0	0	0	0	0	109.4	S705 I772	A685-S705 PolarHBondContact N-O 3.36Å; A685-S705 PolarHBondContact O-N 3.31Å; A685-I772 HydrophobicContact CB-CG1 4.47Å; A685-I772 HydrophobicContact CB-CG2 4.27Å
686	W	79.7	Confident	69.5	Low	71 Å²	71	47.6 Å²	47.6	27%	0.269	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.4	171.1	63.1	82.7	0	0	0	111.2	P641 K643 I645 L684 L703 I704	P641-W686 HydrophobicContact CB-CH2 3.74Å; P641-W686 HydrophobicContact CB-CZ3 3.61Å; P641-W686 HydrophobicContact CG-CH2 4.11Å; P641-W686 HydrophobicContact CG-CZ3 3.92Å; K643-W686 HydrophobicContact CB-CH2 4.29Å; K643-W686 HydrophobicContact CB-CZ2 4.33Å; I645-W686 HydrophobicContact CD1-CD2 4.4Å; I645-W686 HydrophobicContact CG1-CD2 4.24Å; I645-W686 HydrophobicContact CG1-CZ2 4.23Å; L684-W686 HydrophobicContact CD2-CE3 3.69Å; L684-W686 HydrophobicContact CD2-CZ3 4.2Å; W686-L703 CarbonylContact C-O 3.58Å; W686-L703 VanDerWaalsContact CA-O 3.27Å; W686-L703 WeakPolarHBondContact CA-O 3.09Å; W686-I704 HydrophobicContact CB-CD1 3.49Å; W686-I704 VanDerWaalsContact CB-CD1 3.49Å
687	T	76.5	Confident	69	Low	25 Å²	25	48.9 Å²	48.9	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119	178.6	-46.5	0	0	0	0	107.6	F702 L703 T774	T687-F702 VanDerWaalsContact O-CA 3.3Å; T687-F702 WeakPolarHBondContact O-CA 3.42Å; T687-L703 PolarHBondContact N-O 3.05Å; T687-L703 PolarHBondContact O-N 2.92Å; T687-T774 VanDerWaalsContact OG1-CB 3.3Å; T687-T774 WeakPolarHBondContact OG1-CB 3.37Å; T687-T774 WeakPolarHBondContact OG1-CG2 3.32Å; T687-T774 PolarHBondContact OG1-O 3.01Å
688	E	81.7	Confident	68.7	Low	125 Å²	125	51.1 Å²	51.1	58%	0.584	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.9	168.9	-167.9	165	-173.5	0	0	108.7	F702	E688-F702 HydrophobicContact CB-CD1 3.83Å; E688-F702 HydrophobicContact CB-CE1 3.61Å; E688-F702 HydrophobicContact CG-CD1 4.1Å; E688-F702 HydrophobicContact CG-CE1 3.6Å; E688-F702 HydrophobicContact CG-CZ 4.09Å
689	I	76.5	Confident	68.9	Low	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.251	C	S	.	.			trans	-108.7	128.8	-177.3	-66.1	177	0	0	0	108.7	N691 I699 Q701 L703 Y776 F784	I689-N691 PolarHBondContact O-N 3.3Å; I689-I699 HydrophobicContact CD1-CG2 3.62Å; I689-Q701 PolarHBondContact N-O 3.41Å; I689-L703 HydrophobicContact CD1-CD1 4.05Å; I689-L703 HydrophobicContact CD1-CG 3.87Å; I689-Y776 HydrophobicContact CG2-CD1 4.18Å; I689-Y776 HydrophobicContact CG2-CE1 4.26Å; I689-F784 HydrophobicContact CD1-CE1 3.76Å; I689-F784 HydrophobicContact CD1-CZ 4.49Å
690	D	71.7	Confident	69.4	Low	84 Å²	84	44 Å²	44	45%	0.449	23%	0.233	S	C	.	.			trans	-55.5	136.1	-177.1	-78.5	-43.5	0	0	0	112.1	Q692 Y693 H694 L906	D690-Q692 PolarHBondContact O-N 3.15Å; D690-Y693 HydrophobicContact CB-CD2 3.91Å; D690-Y693 HydrophobicContact CB-CE2 4.18Å; D690-Y693 PolarHBondContact O-N 2.89Å; D690-H694 PolarHBondContact O-N 2.9Å; D690-L906 HydrophobicContact CB-CD1 4.26Å; D690-L906 VanDerWaalsContact OD1-CD1 3.27Å; D690-L906 WeakPolarHBondContact OD1-CD1 3.42Å
691	N	66.5	Low	70	Confident	93 Å²	93	43.1 Å²	43.1	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-20.8	-174.1	-69	-76.4	0	0	0	114.3	I689 S695	I689-N691 PolarHBondContact O-N 3.3Å; N691-S695 WeakPolarHBondContact O-CB 3.33Å; N691-S695 PolarHBondContact O-N 2.85Å; N691-S695 VanDerWaalsContact O-N 3.16Å; N691-S695 PolarHBondContact O-OG 3.28Å
692	Q	62.5	Low	70.5	Confident	36 Å²	36	43.4 Å²	43.4	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-70.6	-37.6	175.4	-65	143.3	18.4	0	0	112.2	D690 S695 T696 F904 T905	D690-Q692 PolarHBondContact O-N 3.15Å; Q692-S695 PolarHBondContact O-OG 2.8Å; Q692-T696 WeakPolarHBondContact O-CG2 3.49Å; Q692-T696 PolarHBondContact O-N 2.86Å; Q692-T696 PolarHBondContact O-OG1 3.41Å; Q692-F904 VanDerWaalsContact CD-CB 3.42Å; Q692-F904 HydrophobicContact CG-CB 4.39Å; Q692-F904 HydrophobicContact CG-CD1 3.73Å; Q692-F904 HydrophobicContact CG-CE1 4.13Å; Q692-F904 HydrophobicContact CG-CG 3.97Å; Q692-T905 PolarHBondContact NE2-O 3.47Å
693	Y	64.6	Low	71.2	Confident	55 Å²	55	43.3 Å²	43.3	22%	0.216	23%	0.226	C	C	.	.	H	α-helix	trans	-81.2	-38.3	176.4	-55.5	-64.1	0	0	0	111.6	D690 S695 T696 H697 Y776 P778	D690-Y693 HydrophobicContact CB-CD2 3.91Å; D690-Y693 HydrophobicContact CB-CE2 4.18Å; D690-Y693 PolarHBondContact O-N 2.89Å; Y693-S695 VanDerWaalsContact C-N 3.32Å; Y693-S695 PolarHBondContact O-N 2.67Å; Y693-T696 WeakPolarHBondContact CA-OG1 3.46Å; Y693-T696 PolarHBondContact O-N 3.09Å; Y693-T696 PolarHBondContact O-OG1 2.93Å; Y693-H697 WeakPolarHBondContact O-CB 3.46Å; Y693-H697 PolarHBondContact O-N 3.47Å; Y693-Y776 HydrophobicContact CD1-CE1 4.34Å; Y693-Y776 HydrophobicContact CD2-CD1 4.38Å; Y693-Y776 AromaticContact CD2-CE1 3.81Å; Y693-Y776 HydrophobicContact CD2-CE1 3.81Å; Y693-Y776 AromaticContact CG-CE1 3.73Å; Y693-Y776 HydrophobicContact CG-CE1 3.73Å; Y693-P778 HydrophobicContact CD1-CB 4.05Å; Y693-P778 HydrophobicContact CD2-CB 4.36Å; Y693-P778 HydrophobicContact CE1-CB 3.47Å; Y693-P778 VanDerWaalsContact CE1-CB 3.47Å; Y693-P778 HydrophobicContact CE1-CG 4.38Å; Y693-P778 HydrophobicContact CE2-CB 3.83Å; Y693-P778 HydrophobicContact CE2-CG 4.04Å; Y693-P778 HydrophobicContact CG-CB 4.47Å
694	H	62.5	Low	71.9	Confident	54 Å²	54	43 Å²	43	25%	0.25	23%	0.225	C	C	.	.	H	α-helix	trans	-52.7	-48.2	171.5	177.7	-75	0	0	0	111.9	D690 D698 I699 N720	D690-H694 PolarHBondContact O-N 2.9Å; H694-D698 WeakPolarHBondContact O-CA 3.34Å; H694-D698 PolarHBondContact O-N 2.91Å; H694-D698 VanDerWaalsContact O-N 3.16Å; H694-I699 PolarHBondContact CD2-O 2.92Å; H694-N720 PolarHBondContact NE2-ND2 2.9Å
695	S	61	Low	72.1	Confident	91 Å²	91	42.5 Å²	42.5	64%	0.636	22%	0.223	S	C	*	.	H	α-helix	trans	-75.2	-26.9	-177.4	51.7	0	0	0	0	114.9	N691 Q692 Y693	N691-S695 WeakPolarHBondContact O-CB 3.33Å; N691-S695 PolarHBondContact O-N 2.85Å; N691-S695 VanDerWaalsContact O-N 3.16Å; N691-S695 PolarHBondContact O-OG 3.28Å; Q692-S695 PolarHBondContact O-OG 2.8Å; Y693-S695 VanDerWaalsContact C-N 3.32Å; Y693-S695 PolarHBondContact O-N 2.67Å
696	T	56.2	Low	72.4	Confident	97 Å²	97	41.7 Å²	41.7	60%	0.595	22%	0.216	S	C	*	.	H	α-helix	trans	-88.7	-30	-178.6	45.8	0	0	0	0	113.7	Q692 Y693	Q692-T696 WeakPolarHBondContact O-CG2 3.49Å; Q692-T696 PolarHBondContact O-N 2.86Å; Q692-T696 PolarHBondContact O-OG1 3.41Å; Y693-T696 WeakPolarHBondContact CA-OG1 3.46Å; Y693-T696 PolarHBondContact O-N 3.09Å; Y693-T696 PolarHBondContact O-OG1 2.93Å
697	H	59.4	Low	72.2	Confident	53 Å²	53	38.3 Å²	38.3	25%	0.245	20%	0.203	C	C	.	.	H	α-helix	trans	-119.5	-0.2	-170.8	-69.1	89.5	0	0	0	114.5	Y693 I699 N782 L802	Y693-H697 WeakPolarHBondContact O-CB 3.46Å; Y693-H697 PolarHBondContact O-N 3.47Å; H697-I699 HydrophobicContact CB-CD1 3.57Å; H697-I699 HydrophobicContact CB-CG1 3.63Å; H697-I699 PolarHBondContact O-N 3.35Å; H697-N782 PolarHBondContact CD2-ND2 3.06Å; H697-N782 PolarHBondContact NE2-ND2 3.3Å; H697-L802 HydrophobicContact CB-CD2 3.89Å
698	D	64.5	Low	72	Confident	59 Å²	59	37.1 Å²	37.1	32%	0.316	20%	0.196	S	C	.	.			trans	57.2	40	-179	-170.2	51.1	0	0	0	112.1	K68 K72 H694	K68-D698 WeakPolarHBondContact CD-OD1 3.21Å; K68-D698 VanDerWaalsContact CD-OD2 3.31Å; K68-D698 WeakPolarHBondContact CD-OD2 3.11Å; K68-D698 WeakPolarHBondContact CE-OD1 3.3Å; K68-D698 WeakPolarHBondContact CE-OD2 3.35Å; K68-D698 WeakPolarHBondContact CG-OD2 3.1Å; K68-D698 IonicContact NZ-OD1 3.77Å; K68-D698 PolarHBondContact NZ-OD1 2.83Å; K68-D698 IonicContact NZ-OD2 3.38Å; K72-D698 IonicContact NZ-OD2 2.88Å; K72-D698 PolarHBondContact NZ-OD2 2.93Å; H694-D698 WeakPolarHBondContact O-CA 3.34Å; H694-D698 PolarHBondContact O-N 2.91Å; H694-D698 VanDerWaalsContact O-N 3.16Å
699	I	70.5	Confident	71.2	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.015	17%	0.173	C	C	.	.			trans	-85.2	153.7	176.4	-54.8	166	0	0	0	109.2	I689 H694 H697 Y776 F784 L802	I689-I699 HydrophobicContact CD1-CG2 3.62Å; H694-I699 PolarHBondContact CD2-O 2.92Å; H697-I699 HydrophobicContact CB-CD1 3.57Å; H697-I699 HydrophobicContact CB-CG1 3.63Å; H697-I699 PolarHBondContact O-N 3.35Å; I699-Y776 WeakPolarHBondContact CD1-OH 3.42Å; I699-F784 HydrophobicContact CD1-CZ 4.46Å; I699-F784 HydrophobicContact CG2-CZ 4.09Å; I699-L802 HydrophobicContact CD1-CD2 3.9Å; I699-L802 HydrophobicContact CG1-CD1 4.25Å; I699-L802 HydrophobicContact CG1-CD2 3.53Å; I699-L802 HydrophobicContact CG1-CG 4.49Å
700	S	77.3	Confident	70.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.			trans	-65.1	148.2	171.5	51.3	0	0	0	0	113.7	F702 L703 G718 N720	S700-F702 VanDerWaalsContact C-N 3.31Å; S700-F702 WeakPolarHBondContact CB-O 3.44Å; S700-F702 PolarHBondContact O-N 3.44Å; S700-F702 PolarHBondContact OG-O 3.21Å; S700-L703 WeakPolarHBondContact OG-CD2 3.49Å; S700-G718 VanDerWaalsContact CB-CA 3.5Å; S700-G718 WeakPolarHBondContact OG-CA 3.42Å; S700-N720 WeakPolarHBondContact CA-OD1 3.22Å
701	Q	80.9	Confident	70	Confident	15 Å²	15	35.1 Å²	35.1	7%	0.07	18%	0.183	C	C	.	.	S	Bend	trans	-60.3	-40.6	178.4	-175.7	-173.5	-2.2	0	0	112.1	I689 N720 N722	I689-Q701 PolarHBondContact N-O 3.41Å; Q701-N720 PolarHBondContact N-OD1 2.94Å; Q701-N722 PolarHBondContact NE2-ND2 3.37Å; Q701-N722 VanDerWaalsContact NE2-ND2 3.12Å; Q701-N722 VanDerWaalsContact OE1-N 3.16Å
702	F	84	Confident	69.9	Low	9 Å²	9	30.7 Å²	30.7	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.3	169.9	-57.8	-88	0	0	0	109.3	I645 T687 E688 S700 I704 L719 L721	I645-F702 HydrophobicContact CG2-CD1 4.3Å; I645-F702 HydrophobicContact CG2-CE1 3.75Å; I645-F702 HydrophobicContact CG2-CE2 4.01Å; I645-F702 HydrophobicContact CG2-CZ 3.61Å; T687-F702 VanDerWaalsContact O-CA 3.3Å; T687-F702 WeakPolarHBondContact O-CA 3.42Å; E688-F702 HydrophobicContact CB-CD1 3.83Å; E688-F702 HydrophobicContact CB-CE1 3.61Å; E688-F702 HydrophobicContact CG-CD1 4.1Å; E688-F702 HydrophobicContact CG-CE1 3.6Å; E688-F702 HydrophobicContact CG-CZ 4.09Å; S700-F702 VanDerWaalsContact C-N 3.31Å; S700-F702 WeakPolarHBondContact CB-O 3.44Å; S700-F702 PolarHBondContact O-N 3.44Å; S700-F702 PolarHBondContact OG-O 3.21Å; F702-I704 HydrophobicContact CB-CD1 4.16Å; F702-L719 HydrophobicContact CB-CB 4.45Å; F702-L719 PolarHBondContact N-O 3.47Å; F702-L719 PolarHBondContact O-N 3.16Å; F702-L721 HydrophobicContact CD2-CD1 4.13Å; F702-L721 HydrophobicContact CD2-CG 4.09Å; F702-L721 HydrophobicContact CE2-CB 4.31Å; F702-L721 HydrophobicContact CE2-CD1 3.57Å; F702-L721 HydrophobicContact CE2-CG 3.84Å; F702-L721 HydrophobicContact CZ-CD1 4.24Å
703	L	80.5	Confident	70.4	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.5	153.6	-77.8	179.3	0	0	0	109.1	W686 T687 I689 S700 T716 F717 F784	W686-L703 CarbonylContact C-O 3.58Å; W686-L703 VanDerWaalsContact CA-O 3.27Å; W686-L703 WeakPolarHBondContact CA-O 3.09Å; T687-L703 PolarHBondContact N-O 3.05Å; T687-L703 PolarHBondContact O-N 2.92Å; I689-L703 HydrophobicContact CD1-CD1 4.05Å; I689-L703 HydrophobicContact CD1-CG 3.87Å; S700-L703 WeakPolarHBondContact OG-CD2 3.49Å; L703-T716 HydrophobicContact CB-CG2 4.38Å; L703-T716 HydrophobicContact CD1-CG2 4.44Å; L703-T716 HydrophobicContact CD2-CG2 4.13Å; L703-F717 WeakPolarHBondContact CD2-O 3.44Å; L703-F784 HydrophobicContact CD1-CB 4.27Å; L703-F784 HydrophobicContact CD1-CD1 3.15Å; L703-F784 HydrophobicContact CD1-CD2 4.04Å; L703-F784 HydrophobicContact CD1-CE1 3.29Å; L703-F784 HydrophobicContact CD1-CE2 4.14Å; L703-F784 HydrophobicContact CD1-CG 3.56Å; L703-F784 HydrophobicContact CD1-CZ 3.81Å; L703-F784 HydrophobicContact CG-CE1 4.41Å
704	I	83.7	Confident	70.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.2	175.8	-49	-58	0	0	0	107.5	L651 L684 W686 F702 T716 F717 L719	L651-I704 HydrophobicContact CD2-CD1 3.84Å; L651-I704 HydrophobicContact CD2-CG1 4.03Å; L651-I704 HydrophobicContact CD2-CG2 3.93Å; L684-I704 HydrophobicContact CD1-CG2 3.71Å; L684-I704 HydrophobicContact CD2-CG2 3.81Å; L684-I704 HydrophobicContact CG-CG2 3.66Å; W686-I704 HydrophobicContact CB-CD1 3.49Å; W686-I704 VanDerWaalsContact CB-CD1 3.49Å; F702-I704 HydrophobicContact CB-CD1 4.16Å; I704-T716 VanDerWaalsContact O-CA 3.28Å; I704-T716 WeakPolarHBondContact O-CA 3.24Å; I704-F717 HydrophobicContact CB-CD1 4.06Å; I704-F717 HydrophobicContact CB-CD2 4.3Å; I704-F717 HydrophobicContact CB-CE1 3.54Å; I704-F717 HydrophobicContact CB-CE2 3.8Å; I704-F717 HydrophobicContact CB-CG 4.41Å; I704-F717 HydrophobicContact CB-CZ 3.37Å; I704-F717 HydrophobicContact CG1-CD2 4.3Å; I704-F717 HydrophobicContact CG1-CE1 4.27Å; I704-F717 HydrophobicContact CG1-CE2 3.61Å; I704-F717 HydrophobicContact CG1-CZ 3.58Å; I704-F717 HydrophobicContact CG2-CD1 4.43Å; I704-F717 HydrophobicContact CG2-CE1 3.53Å; I704-F717 HydrophobicContact CG2-CE2 4.38Å; I704-F717 HydrophobicContact CG2-CZ 3.48Å; I704-F717 VanDerWaalsContact CG2-CZ 3.48Å; I704-F717 PolarHBondContact N-O 3.44Å; I704-F717 PolarHBondContact O-N 2.81Å; I704-L719 HydrophobicContact CD1-CB 4.47Å; I704-L719 HydrophobicContact CD1-CD2 4.26Å; I704-L719 HydrophobicContact CG1-CB 4.09Å; I704-L719 HydrophobicContact CG1-CD2 4.37Å
705	S	79.9	Confident	71.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.2	173	-66.5	0	0	0	0	109.5	L684 A685 S715 T716 T774 T786	L684-S705 CarbonylContact C-O 3.57Å; L684-S705 WeakPolarHBondContact CA-O 3.44Å; A685-S705 PolarHBondContact N-O 3.36Å; A685-S705 PolarHBondContact O-N 3.31Å; S705-S715 CarbonylContact C-O 3.5Å; S705-S715 WeakPolarHBondContact CA-O 3.21Å; S705-T716 PolarHBondContact OG-OG1 3.41Å; S705-T774 WeakPolarHBondContact CB-OG1 3.21Å; S705-T774 PolarHBondContact OG-OG1 3.05Å; S705-T786 PolarHBondContact OG-OG1 3.37Å
706	M	79.9	Confident	72.3	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.6	-174	59.5	175.8	165	0	0	111.2	H675 N676 L677 L681 Y683 L684 M714 S715 F717 C733	H675-M706 HydrophobicContact CB-CE 3.78Å; H675-M706 HydrophobicContact CB-SD 3.92Å; N676-M706 WeakPolarHBondContact OD1-CE 3.28Å; L677-M706 HydrophobicContact CD1-CB 4.3Å; L677-M706 HydrophobicContact CD1-CG 4.03Å; L677-M706 HydrophobicContact CD1-SD 4.1Å; L677-M706 HydrophobicContact CG-CG 4.38Å; L677-M706 HydrophobicContact CG-SD 4.45Å; L681-M706 HydrophobicContact CD1-CB 3.63Å; Y683-M706 WeakPolarHBondContact O-CA 3.32Å; L684-M706 HydrophobicContact CG-CB 4.46Å; M706-M714 WeakPolarHBondContact O-CA 3.46Å; M706-S715 WeakPolarHBondContact CG-O 3.45Å; M706-S715 PolarHBondContact N-O 3.25Å; M706-S715 PolarHBondContact O-N 3.18Å; M706-F717 HydrophobicContact CE-CD1 3.86Å; M706-F717 HydrophobicContact CE-CE1 3.91Å; M706-F717 HydrophobicContact SD-CE1 4.18Å; M706-C733 WeakPolarHBondContact CE-SG 3.36Å
707	T	76	Confident	73.4	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.8	-177.2	-177.9	0	0	0	0	113	A682 Y683 D713 I769 I772 L788	A682-T707 PolarHBondContact N-O 2.71Å; Y683-T707 PolarHBondContact N-O 3.14Å; Y683-T707 VanDerWaalsContact N-O 3.13Å; Y683-T707 PolarHBondContact O-N 3.01Å; T707-D713 WeakPolarHBondContact CA-O 3.43Å; T707-D713 VanDerWaalsContact CB-O 3.28Å; T707-D713 WeakPolarHBondContact CB-O 3.48Å; T707-D713 PolarHBondContact OG1-O 3.09Å; T707-I769 HydrophobicContact CG2-CD1 4.15Å; T707-I769 HydrophobicContact CG2-CG2 4.43Å; T707-I769 WeakPolarHBondContact OG1-CD1 3.5Å; T707-I772 HydrophobicContact CG2-CB 4.2Å; T707-I772 HydrophobicContact CG2-CD1 3.83Å; T707-I772 HydrophobicContact CG2-CG2 4.16Å; T707-L788 HydrophobicContact CG2-CD2 4.42Å
708	S	72	Confident	74.3	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	159.8	176.5	65.7	0	0	0	0	112.1	K679 P680 A712 D713	K679-S708 VanDerWaalsContact O-CB 3.27Å; K679-S708 WeakPolarHBondContact O-CB 3.38Å; P680-S708 WeakPolarHBondContact O-CA 3.45Å; P680-S708 WeakPolarHBondContact O-CB 3.33Å; S708-A712 WeakPolarHBondContact O-CA 3.17Å; S708-D713 PolarHBondContact N-O 2.98Å; S708-D713 PolarHBondContact O-N 3.1Å
709	Q	64.9	Low	75.2	Confident	24 Å²	24	10.2 Å²	10.2	11%	0.112	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	150.5	175	-69.8	171.8	-19.1	0	0	111.6	K679 A682 P711 I769	K679-Q709 WeakPolarHBondContact CB-O 3.2Å; A682-Q709 HydrophobicContact CB-CB 4.38Å; A682-Q709 HydrophobicContact CB-CG 3.73Å; Q709-P711 CarbonylContact C-O 3.54Å; Q709-I769 PolarHBondContact NE2-O 2.79Å; Q709-I769 VanDerWaalsContact NE2-O 3.14Å
710	Y	60.9	Low	75.7	Confident	107 Å²	107	10.7 Å²	10.7	42%	0.42	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	65.3	170.8	-53.9	-66.8	0	0	0	116.1	P352 K679 Q766 S768	P352-Y710 HydrophobicContact CB-CE2 4.37Å; K679-Y710 VanDerWaalsContact CE-O 3.23Å; K679-Y710 WeakPolarHBondContact CE-O 3.49Å; K679-Y710 WeakPolarHBondContact CG-O 3.48Å; Y710-Q766 VanDerWaalsContact CD1-O 3.24Å; Y710-Q766 WeakPolarHBondContact CD1-O 3.42Å; Y710-Q766 WeakPolarHBondContact CE1-O 3.24Å; Y710-S768 WeakPolarHBondContact OH-CB 3.19Å; Y710-S768 PolarHBondContact OH-OG 3.4Å
711	P	61.4	Low	75.7	Confident	40 Å²	40	11.1 Å²	11.1	26%	0.26	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.9	160	9	33.2	-37	0	0	0	114	Q709 D713	Q709-P711 CarbonylContact C-O 3.54Å; P711-D713 PolarHBondContact O-N 2.93Å
712	A	66	Low	75.4	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	109.2	162.9	0	0	0	0	0	109.6	S708 P738 L739 I769	S708-A712 WeakPolarHBondContact O-CA 3.17Å; A712-P738 CarbonylContact O-C 3.59Å; A712-P738 WeakPolarHBondContact O-CA 3.35Å; A712-P738 WeakPolarHBondContact O-CB 3.35Å; A712-L739 HydrophobicContact CB-CB 4.26Å; A712-L739 HydrophobicContact CB-CD1 3.59Å; A712-L739 HydrophobicContact CB-CG 3.78Å; A712-L739 PolarHBondContact O-N 3.07Å; A712-I769 HydrophobicContact CB-CD1 3.74Å; A712-I769 HydrophobicContact CB-CG1 4.03Å
713	D	72.3	Confident	74.5	Confident	7 Å²	7	17.1 Å²	17.1	4%	0.037	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.9	178.7	-178.1	32.6	0	0	0	109.5	A678 T707 S708 P711 P738	A678-D713 HydrophobicContact CB-CB 4.49Å; A678-D713 PolarHBondContact N-OD2 2.91Å; T707-D713 WeakPolarHBondContact CA-O 3.43Å; T707-D713 VanDerWaalsContact CB-O 3.28Å; T707-D713 WeakPolarHBondContact CB-O 3.48Å; T707-D713 PolarHBondContact OG1-O 3.09Å; S708-D713 PolarHBondContact N-O 2.98Å; S708-D713 PolarHBondContact O-N 3.1Å; P711-D713 PolarHBondContact O-N 2.93Å; D713-P738 HydrophobicContact CB-CB 4.14Å
714	M	76.1	Confident	73.6	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.9	-163.4	179.8	-80.7	-171.9	0	0	110.9	Y75 M706 T716 T786 L788 Y798	Y75-M714 HydrophobicContact CE1-SD 4.4Å; Y75-M714 PolarHBondContact OH-SD 3.24Å; M706-M714 WeakPolarHBondContact O-CA 3.46Å; M714-T716 WeakPolarHBondContact CE-OG1 3.36Å; M714-T786 VanDerWaalsContact CE-CB 3.48Å; M714-T786 HydrophobicContact CE-CG2 3.48Å; M714-T786 VanDerWaalsContact CE-CG2 3.48Å; M714-L788 HydrophobicContact CB-CD1 4.19Å; M714-L788 HydrophobicContact CG-CD1 4.4Å; M714-Y798 HydrophobicContact CB-CD1 4.25Å; M714-Y798 HydrophobicContact CB-CE1 3.77Å; M714-Y798 HydrophobicContact CE-CD1 4.36Å; M714-Y798 HydrophobicContact CE-CG 4.25Å; M714-Y798 HydrophobicContact CG-CD1 4.08Å; M714-Y798 HydrophobicContact CG-CE1 4.09Å; M714-Y798 HydrophobicContact CG-CG 4.33Å; M714-Y798 HydrophobicContact SD-CD1 3.7Å; M714-Y798 HydrophobicContact SD-CE1 4.16Å; M714-Y798 HydrophobicContact SD-CG 4.14Å
715	S	76.4	Confident	72.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147	175.7	-176.9	0	0	0	0	113.2	N676 S705 M706 C733 L734	N676-S715 PolarHBondContact ND2-OG 3.37Å; N676-S715 VanDerWaalsContact OD1-CB 3.31Å; N676-S715 WeakPolarHBondContact OD1-CB 3.29Å; N676-S715 PolarHBondContact OD1-OG 3.37Å; S705-S715 CarbonylContact C-O 3.5Å; S705-S715 WeakPolarHBondContact CA-O 3.21Å; M706-S715 WeakPolarHBondContact CG-O 3.45Å; M706-S715 PolarHBondContact N-O 3.25Å; M706-S715 PolarHBondContact O-N 3.18Å; S715-C733 PolarHBondContact OG-SG 3.44Å; S715-L734 CarbonylContact C-O 3.54Å; S715-L734 WeakPolarHBondContact CA-O 3.44Å; S715-L734 WeakPolarHBondContact CB-O 3.37Å; S715-L734 PolarHBondContact OG-O 3.19Å
716	T	76.6	Confident	71.7	Confident	7 Å²	7	21 Å²	21	4%	0.043	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.7	176.7	-57.6	0	0	0	0	111.9	L703 I704 S705 M714 C733 L734	L703-T716 HydrophobicContact CB-CG2 4.38Å; L703-T716 HydrophobicContact CD1-CG2 4.44Å; L703-T716 HydrophobicContact CD2-CG2 4.13Å; I704-T716 VanDerWaalsContact O-CA 3.28Å; I704-T716 WeakPolarHBondContact O-CA 3.24Å; S705-T716 PolarHBondContact OG-OG1 3.41Å; M714-T716 WeakPolarHBondContact CE-OG1 3.36Å; T716-C733 CarbonylContact O-C 3.57Å; T716-L734 PolarHBondContact N-O 3.12Å; T716-L734 PolarHBondContact O-N 3.35Å
717	F	78.3	Confident	71.4	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165.6	172.7	65.6	-83.5	0	0	0	112.3	W673 L703 I704 M706 L719 Y729 C733	W673-F717 HydrophobicContact CH2-CE2 4.38Å; W673-F717 HydrophobicContact CH2-CZ 4.41Å; W673-F717 HydrophobicContact CZ2-CE1 4.36Å; W673-F717 AromaticContact CZ2-CE2 3.62Å; W673-F717 HydrophobicContact CZ2-CE2 3.62Å; W673-F717 AromaticContact CZ2-CZ 3.46Å; W673-F717 HydrophobicContact CZ2-CZ 3.46Å; W673-F717 VanDerWaalsContact CZ2-CZ 3.46Å; L703-F717 WeakPolarHBondContact CD2-O 3.44Å; I704-F717 HydrophobicContact CB-CD1 4.06Å; I704-F717 HydrophobicContact CB-CD2 4.3Å; I704-F717 HydrophobicContact CB-CE1 3.54Å; I704-F717 HydrophobicContact CB-CE2 3.8Å; I704-F717 HydrophobicContact CB-CG 4.41Å; I704-F717 HydrophobicContact CB-CZ 3.37Å; I704-F717 HydrophobicContact CG1-CD2 4.3Å; I704-F717 HydrophobicContact CG1-CE1 4.27Å; I704-F717 HydrophobicContact CG1-CE2 3.61Å; I704-F717 HydrophobicContact CG1-CZ 3.58Å; I704-F717 HydrophobicContact CG2-CD1 4.43Å; I704-F717 HydrophobicContact CG2-CE1 3.53Å; I704-F717 HydrophobicContact CG2-CE2 4.38Å; I704-F717 HydrophobicContact CG2-CZ 3.48Å; I704-F717 VanDerWaalsContact CG2-CZ 3.48Å; I704-F717 PolarHBondContact N-O 3.44Å; I704-F717 PolarHBondContact O-N 2.81Å; M706-F717 HydrophobicContact CE-CD1 3.86Å; M706-F717 HydrophobicContact CE-CE1 3.91Å; M706-F717 HydrophobicContact SD-CE1 4.18Å; F717-L719 HydrophobicContact CE2-CB 4.49Å; F717-Y729 HydrophobicContact CB-CE2 3.94Å; F717-Y729 AromaticContact CD2-CD2 3.67Å; F717-Y729 HydrophobicContact CD2-CD2 3.67Å; F717-Y729 AromaticContact CD2-CE2 3.31Å; F717-Y729 HydrophobicContact CD2-CE2 3.31Å; F717-Y729 HydrophobicContact CE2-CD2 4Å; F717-Y729 AromaticContact CE2-CE2 3.93Å; F717-Y729 HydrophobicContact CE2-CE2 3.93Å; F717-Y729 HydrophobicContact CG-CD2 4.48Å; F717-Y729 AromaticContact CG-CE2 3.68Å; F717-Y729 HydrophobicContact CG-CE2 3.68Å; F717-C733 HydrophobicContact CB-CB 4.37Å
718	G	79.2	Confident	71.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	147.2	177.1	0	0	0	0	0	113.9	S700 I730	S700-G718 VanDerWaalsContact CB-CA 3.5Å; S700-G718 WeakPolarHBondContact OG-CA 3.42Å; G718-I730 PolarHBondContact N-O 3.23Å; G718-I730 PolarHBondContact O-N 3.33Å
719	L	81.9	Confident	71.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.3	175.5	-177.6	66.5	0	0	0	110.4	L660 L671 F702 I704 F717 L721	L660-L719 HydrophobicContact CD1-CD2 4.35Å; L660-L719 HydrophobicContact CD2-CD1 4.45Å; L671-L719 HydrophobicContact CD1-CD1 3.79Å; F702-L719 HydrophobicContact CB-CB 4.45Å; F702-L719 PolarHBondContact N-O 3.47Å; F702-L719 PolarHBondContact O-N 3.16Å; I704-L719 HydrophobicContact CD1-CB 4.47Å; I704-L719 HydrophobicContact CD1-CD2 4.26Å; I704-L719 HydrophobicContact CG1-CB 4.09Å; I704-L719 HydrophobicContact CG1-CD2 4.37Å; F717-L719 HydrophobicContact CE2-CB 4.49Å; L719-L721 HydrophobicContact CD1-CD2 4.43Å; L719-L721 HydrophobicContact CD2-CD2 3.95Å; L719-L721 HydrophobicContact CG-CD2 4.04Å
720	N	80.8	Confident	71.8	Confident	13 Å²	13	21.8 Å²	21.8	7%	0.07	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.7	165.7	-80.2	19.6	0	0	0	109.1	H694 S700 Q701 P727 Q728 I730	H694-N720 PolarHBondContact NE2-ND2 2.9Å; S700-N720 WeakPolarHBondContact CA-OD1 3.22Å; Q701-N720 PolarHBondContact N-OD1 2.94Å; N720-P727 CarbonylContact O-C 3.59Å; N720-P727 VanDerWaalsContact O-CA 3.26Å; N720-P727 WeakPolarHBondContact O-CA 3.46Å; N720-Q728 HydrophobicContact CB-CB 4.45Å; N720-Q728 PolarHBondContact N-O 3.21Å; N720-Q728 PolarHBondContact O-N 2.95Å; N720-I730 HydrophobicContact CB-CD1 4.22Å; N720-I730 WeakPolarHBondContact OD1-CD1 3.33Å
721	L	78.6	Confident	72	Confident	9 Å²	9	17 Å²	17	5%	0.047	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-26.2	172.2	-62.9	-176.5	0	0	0	112.1	I645 Y649 L660 F702 L719 P727	I645-L721 HydrophobicContact CB-CD1 4.07Å; I645-L721 HydrophobicContact CG2-CD1 3.48Å; I645-L721 VanDerWaalsContact CG2-CD1 3.48Å; Y649-L721 HydrophobicContact CD2-CD1 3.7Å; Y649-L721 HydrophobicContact CD2-CD2 4.18Å; Y649-L721 HydrophobicContact CD2-CG 4.41Å; Y649-L721 HydrophobicContact CE2-CB 4.2Å; Y649-L721 HydrophobicContact CE2-CD1 4.09Å; Y649-L721 HydrophobicContact CE2-CD2 4.28Å; Y649-L721 HydrophobicContact CE2-CG 4.44Å; Y649-L721 HydrophobicContact CG-CD1 4.43Å; Y649-L721 HydrophobicContact CG-CD2 4.41Å; L660-L721 HydrophobicContact CD2-CD2 3.75Å; F702-L721 HydrophobicContact CD2-CD1 4.13Å; F702-L721 HydrophobicContact CD2-CG 4.09Å; F702-L721 HydrophobicContact CE2-CB 4.31Å; F702-L721 HydrophobicContact CE2-CD1 3.57Å; F702-L721 HydrophobicContact CE2-CG 3.84Å; F702-L721 HydrophobicContact CZ-CD1 4.24Å; L719-L721 HydrophobicContact CD1-CD2 4.43Å; L719-L721 HydrophobicContact CD2-CD2 3.95Å; L719-L721 HydrophobicContact CG-CD2 4.04Å; L721-P727 HydrophobicContact CD2-CB 4.02Å; L721-P727 HydrophobicContact CD2-CG 4.26Å
722	N	73.2	Confident	71.8	Confident	129 Å²	129	16.1 Å²	16.1	69%	0.69	10%	0.097	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	35.2	-175.2	-61.4	-17.6	0	0	0	112.7	Q701	Q701-N722 PolarHBondContact NE2-ND2 3.37Å; Q701-N722 VanDerWaalsContact NE2-ND2 3.12Å; Q701-N722 VanDerWaalsContact OE1-N 3.16Å
723	S	66.6	Low	71.5	Confident	21 Å²	21	16.2 Å²	16.2	15%	0.147	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	164.2	177.7	96.1	0	0	0	0	112.1	S725 G726	S723-S725 PolarHBondContact O-N 2.93Å; S723-S725 VanDerWaalsContact O-N 3.09Å; S723-S725 PolarHBondContact OG-N 3.47Å; S723-S725 VanDerWaalsContact OG-N 3.14Å; S723-S725 PolarHBondContact OG-OG 3.4Å; S723-G726 WeakPolarHBondContact CB-O 2.9Å; S723-G726 PolarHBondContact N-O 3.1Å; S723-G726 PolarHBondContact O-N 2.86Å; S723-G726 PolarHBondContact OG-O 3.08Å
724	S	61.6	Low	71.1	Confident	80 Å²	80	16.9 Å²	16.9	56%	0.559	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.3	173.6	48.1	0	0	0	0	114.5	W13 S51 E62	W13-S724 WeakPolarHBondContact CH2-O 3.39Å; W13-S724 WeakPolarHBondContact CZ3-O 3.2Å; S51-S724 PolarHBondContact OG-O 3.08Å; E62-S724 VanDerWaalsContact OE2-C 3.28Å; E62-S724 VanDerWaalsContact OE2-CB 3.26Å; E62-S724 WeakPolarHBondContact OE2-CB 3.14Å; E62-S724 PolarHBondContact OE2-OG 2.87Å
725	S	56.9	Low	70.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	11.1	173.9	72.4	0	0	0	0	113.8	W13 E62 S723	W13-S725 VanDerWaalsContact CE3-C 3.42Å; E62-S725 VanDerWaalsContact CB-CB 3.43Å; E62-S725 PolarHBondContact OE2-N 3.32Å; S723-S725 PolarHBondContact O-N 2.93Å; S723-S725 VanDerWaalsContact O-N 3.09Å; S723-S725 PolarHBondContact OG-N 3.47Å; S723-S725 VanDerWaalsContact OG-N 3.14Å; S723-S725 PolarHBondContact OG-OG 3.4Å
726	G	66.1	Low	69.6	Low	3 Å²	3	19.9 Å²	19.9	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-150	-164.6	0	0	0	0	0	111.7	S723 Q728	S723-G726 WeakPolarHBondContact CB-O 2.9Å; S723-G726 PolarHBondContact N-O 3.1Å; S723-G726 PolarHBondContact O-N 2.86Å; S723-G726 PolarHBondContact OG-O 3.08Å; G726-Q728 PolarHBondContact O-N 2.75Å
727	P	73.9	Confident	69	Low	5 Å²	5	21 Å²	21	3%	0.032	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.7	174.9	-27.5	38.9	0	0	0	113	Y649 L660 V670 L671 N720 L721	Y649-P727 HydrophobicContact CE1-CG 3.75Å; Y649-P727 WeakPolarHBondContact OH-CG 3.45Å; L660-P727 HydrophobicContact CD2-CB 3.71Å; L660-P727 HydrophobicContact CD2-CG 4.31Å; V670-P727 HydrophobicContact CG1-CB 4.02Å; V670-P727 HydrophobicContact CG1-CG 3.81Å; L671-P727 HydrophobicContact CD1-CB 4.13Å; L671-P727 HydrophobicContact CG-CB 4.48Å; N720-P727 CarbonylContact O-C 3.59Å; N720-P727 VanDerWaalsContact O-CA 3.26Å; N720-P727 WeakPolarHBondContact O-CA 3.46Å; L721-P727 HydrophobicContact CD2-CB 4.02Å; L721-P727 HydrophobicContact CD2-CG 4.26Å
728	Q	74.2	Confident	68.6	Low	25 Å²	25	22.4 Å²	22.4	12%	0.117	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.5	-174.4	-177.9	-177.8	76.1	0	0	110.2	S63 Q64 N720 G726	S63-Q728 PolarHBondContact O-NE2 3.13Å; Q64-Q728 WeakPolarHBondContact O-CA 3.29Å; N720-Q728 HydrophobicContact CB-CB 4.45Å; N720-Q728 PolarHBondContact N-O 3.21Å; N720-Q728 PolarHBondContact O-N 2.95Å; G726-Q728 PolarHBondContact O-N 2.75Å
729	Y	74.6	Confident	68.2	Low	7 Å²	7	22.4 Å²	22.4	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.9	171.2	172	-88.3	0	0	0	109.6	Q64 M65 S66 W673 F717 C733	Q64-Y729 PolarHBondContact O-N 3.22Å; M65-Y729 WeakPolarHBondContact CA-O 3.49Å; M65-Y729 HydrophobicContact CE-CD1 3.58Å; M65-Y729 HydrophobicContact CE-CE1 3.88Å; M65-Y729 HydrophobicContact CE-CG 4.38Å; S66-Y729 PolarHBondContact N-O 3.41Å; W673-Y729 AromaticContact CD1-CE2 3.89Å; W673-Y729 HydrophobicContact CD2-CD2 4.05Å; W673-Y729 HydrophobicContact CD2-CE2 4.36Å; W673-Y729 AromaticContact CE2-CD2 3.91Å; W673-Y729 AromaticContact CE2-CE2 4Å; W673-Y729 HydrophobicContact CG-CD2 4.33Å; W673-Y729 HydrophobicContact CG-CE2 4.32Å; W673-Y729 HydrophobicContact CZ2-CD2 4.36Å; W673-Y729 AromaticContact NE1-CE2 3.66Å; F717-Y729 HydrophobicContact CB-CE2 3.94Å; F717-Y729 AromaticContact CD2-CD2 3.67Å; F717-Y729 HydrophobicContact CD2-CD2 3.67Å; F717-Y729 AromaticContact CD2-CE2 3.31Å; F717-Y729 HydrophobicContact CD2-CE2 3.31Å; F717-Y729 HydrophobicContact CE2-CD2 4Å; F717-Y729 AromaticContact CE2-CE2 3.93Å; F717-Y729 HydrophobicContact CE2-CE2 3.93Å; F717-Y729 HydrophobicContact CG-CD2 4.48Å; F717-Y729 AromaticContact CG-CE2 3.68Å; F717-Y729 HydrophobicContact CG-CE2 3.68Å; Y729-C733 WeakPolarHBondContact OH-CB 3.4Å
730	I	73.2	Confident	67.4	Low	3 Å²	3	24.4 Å²	24.4	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.3	179.4	-47.1	-162.4	0	0	0	109.4	K68 L69 G718 N720	K68-I730 HydrophobicContact CB-CG2 3.98Å; L69-I730 HydrophobicContact CB-CG2 4.33Å; L69-I730 HydrophobicContact CD1-CB 4.34Å; L69-I730 HydrophobicContact CD1-CG2 3.8Å; L69-I730 HydrophobicContact CG-CG2 3.71Å; G718-I730 PolarHBondContact N-O 3.23Å; G718-I730 PolarHBondContact O-N 3.33Å; N720-I730 HydrophobicContact CB-CD1 4.22Å; N720-I730 WeakPolarHBondContact OD1-CD1 3.33Å
731	G	64.6	Low	66.8	Low	6 Å²	6	24.4 Å²	24.4	6%	0.062	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	170.2	-177.8	0	0	0	0	0	113.8	S66 L69 V70	S66-G731 PolarHBondContact O-N 2.67Å; L69-G731 WeakPolarHBondContact CB-O 3.22Å; L69-G731 PolarHBondContact N-O 2.87Å; V70-G731 PolarHBondContact N-O 2.7Å
732	P	56.5	Low	66.2	Low	23 Å²	23	24 Å²	24	15%	0.149	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-83.2	170.6	10.2	36	-35.8	0	0	0	112.2	P28 L69 V70	P28-P732 HydrophobicContact CG-CB 4.24Å; L69-P732 VanDerWaalsContact C-CD 3.41Å; V70-P732 VanDerWaalsContact CA-CD 3.49Å; V70-P732 HydrophobicContact CG2-CG 4.49Å
733	C	60.6	Low	65.6	Low	2 Å²	2	18.5 Å²	18.5	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.5	172.6	-146.5	0	0	0	0	107.1	P27 N676 M706 S715 T716 F717 Y729	P27-C733 HydrophobicContact CB-CB 3.92Å; P27-C733 HydrophobicContact CG-CB 3.74Å; N676-C733 VanDerWaalsContact ND2-CB 3.25Å; N676-C733 WeakPolarHBondContact ND2-CB 3.46Å; N676-C733 PolarHBondContact ND2-O 2.88Å; N676-C733 PolarHBondContact ND2-SG 3.17Å; M706-C733 WeakPolarHBondContact CE-SG 3.36Å; S715-C733 PolarHBondContact OG-SG 3.44Å; T716-C733 CarbonylContact O-C 3.57Å; F717-C733 HydrophobicContact CB-CB 4.37Å; Y729-C733 WeakPolarHBondContact OH-CB 3.4Å
734	L	63.8	Low	65.1	Low	21 Å²	21	21.3 Å²	21.3	11%	0.11	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.6	174.8	-89.5	-170.9	0	0	0	109.4	L73 Y75 S715 T716 A800	L73-L734 HydrophobicContact CB-CD1 4.39Å; L73-L734 HydrophobicContact CD2-CD1 3.78Å; L73-L734 HydrophobicContact CD2-CG 4.03Å; L73-L734 HydrophobicContact CG-CD1 3.65Å; L73-L734 HydrophobicContact CG-CG 4.21Å; Y75-L734 HydrophobicContact CD1-CD1 4.2Å; Y75-L734 HydrophobicContact CD2-CB 4.4Å; Y75-L734 HydrophobicContact CD2-CD1 4.09Å; Y75-L734 HydrophobicContact CD2-CD2 4.24Å; Y75-L734 HydrophobicContact CE1-CD1 4.11Å; Y75-L734 HydrophobicContact CE2-CB 3.65Å; Y75-L734 HydrophobicContact CE2-CD1 4.01Å; Y75-L734 HydrophobicContact CE2-CD2 4.29Å; Y75-L734 HydrophobicContact CE2-CG 4.21Å; Y75-L734 HydrophobicContact CG-CD1 4.17Å; S715-L734 CarbonylContact C-O 3.54Å; S715-L734 WeakPolarHBondContact CA-O 3.44Å; S715-L734 WeakPolarHBondContact CB-O 3.37Å; S715-L734 PolarHBondContact OG-O 3.19Å; T716-L734 PolarHBondContact N-O 3.12Å; T716-L734 PolarHBondContact O-N 3.35Å; L734-A800 HydrophobicContact CD1-CB 3.96Å
735	S	64.7	Low	64.8	Low	14 Å²	14	18.5 Å²	18.5	10%	0.098	13%	0.126	C	C	.	.			trans	-160.4	179.4	-178.5	48.4	0	0	0	0	111.9	N676	N676-S735 WeakPolarHBondContact ND2-CB 3.36Å; N676-S735 PolarHBondContact ND2-OG 2.64Å
736	G	56.1	Low	64.6	Low	49 Å²	49	20 Å²	20	51%	0.505	13%	0.134	S	C	.	.			trans	95.2	22.1	169.7	0	0	0	0	0	113.9	P738	G736-P738 WeakPolarHBondContact O-CD 3.5Å
737	M	64.2	Low	63.8	Low	30 Å²	30	32.1 Å²	32.1	15%	0.148	18%	0.179	C	C	.	.			trans	-119.6	60.4	174.7	-53.7	-150.1	90.9	0	0	111.3	Y75 N78 Y798	Y75-M737 HydrophobicContact CD2-CG 3.97Å; Y75-M737 HydrophobicContact CD2-SD 3.75Å; Y75-M737 HydrophobicContact CE2-CG 4.22Å; Y75-M737 HydrophobicContact CE2-SD 4.49Å; Y75-M737 HydrophobicContact CG-SD 3.87Å; N78-M737 HydrophobicContact CB-CE 4.26Å; N78-M737 VanDerWaalsContact OD1-CE 3.28Å; N78-M737 WeakPolarHBondContact OD1-CE 3.45Å; M737-Y798 HydrophobicContact CB-CD1 4.49Å; M737-Y798 HydrophobicContact CB-CE1 3.93Å; M737-Y798 WeakPolarHBondContact O-CE1 3.46Å; M737-Y798 PolarHBondContact O-OH 3.28Å
738	P	70.2	Confident	62.7	Low	30 Å²	30	34.2 Å²	34.2	20%	0.195	19%	0.193	C	C	.	.			trans	-61.2	155.1	173.4	29.5	-36.4	0	0	0	110.1	A712 D713 G736 T740 S741	A712-P738 CarbonylContact O-C 3.59Å; A712-P738 WeakPolarHBondContact O-CA 3.35Å; A712-P738 WeakPolarHBondContact O-CB 3.35Å; D713-P738 HydrophobicContact CB-CB 4.14Å; G736-P738 WeakPolarHBondContact O-CD 3.5Å; P738-T740 PolarHBondContact O-N 3.1Å; P738-S741 WeakPolarHBondContact O-CB 3.12Å; P738-S741 PolarHBondContact O-N 2.86Å; P738-S741 PolarHBondContact O-OG 2.93Å
739	L	70.1	Confident	61.4	Low	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.8	-179	-68.9	-178.2	0	0	0	113.1	P79 A712 S741 L742 L765 T790 F796 Y798	P79-L739 HydrophobicContact CB-CD2 4.26Å; P79-L739 HydrophobicContact CG-CD2 3.9Å; A712-L739 HydrophobicContact CB-CB 4.26Å; A712-L739 HydrophobicContact CB-CD1 3.59Å; A712-L739 HydrophobicContact CB-CG 3.78Å; A712-L739 PolarHBondContact O-N 3.07Å; L739-S741 PolarHBondContact O-N 3.49Å; L739-L742 WeakPolarHBondContact O-CB 3.18Å; L739-L742 WeakPolarHBondContact O-CG 3.46Å; L739-L742 PolarHBondContact O-N 3.38Å; L739-L765 HydrophobicContact CB-CD2 4.29Å; L739-T790 HydrophobicContact CD1-CG2 4.06Å; L739-F796 HydrophobicContact CD1-CD2 4.18Å; L739-F796 HydrophobicContact CD1-CE2 4.07Å; L739-F796 HydrophobicContact CD2-CB 4.17Å; L739-F796 HydrophobicContact CD2-CD1 3.91Å; L739-F796 HydrophobicContact CD2-CD2 3.9Å; L739-F796 HydrophobicContact CD2-CE1 4.26Å; L739-F796 HydrophobicContact CD2-CE2 4.24Å; L739-F796 HydrophobicContact CD2-CG 3.72Å; L739-F796 HydrophobicContact CD2-CZ 4.41Å; L739-Y798 HydrophobicContact CD2-CE2 4.38Å
740	T	65.6	Low	60.2	Low	43 Å²	43	45 Å²	45	26%	0.264	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.5	172.8	51	0	0	0	0	114.4	P738 L742 V743	P738-T740 PolarHBondContact O-N 3.1Å; T740-L742 PolarHBondContact O-N 2.7Å; T740-V743 WeakPolarHBondContact O-CB 3.24Å; T740-V743 PolarHBondContact O-N 3.11Å
741	S	67.1	Low	59.1	Low	12 Å²	12	46.3 Å²	46.3	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-24.5	173.9	61.8	0	0	0	0	113.1	P738 L739 V743 S744 S745	P738-S741 WeakPolarHBondContact O-CB 3.12Å; P738-S741 PolarHBondContact O-N 2.86Å; P738-S741 PolarHBondContact O-OG 2.93Å; L739-S741 PolarHBondContact O-N 3.49Å; S741-V743 PolarHBondContact O-N 2.81Å; S741-S744 PolarHBondContact O-N 3.25Å; S741-S744 PolarHBondContact O-OG 3.37Å; S741-S745 WeakPolarHBondContact O-CB 3.23Å; S741-S745 PolarHBondContact O-N 2.86Å
742	L	67.2	Low	58.4	Low	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-31.3	173.9	-63.8	171.6	0	0	0	112.4	N78 P79 L739 T740 S745 L765 F796 I826	N78-L742 HydrophobicContact CB-CD2 3.73Å; P79-L742 HydrophobicContact CG-CD1 4.29Å; P79-L742 HydrophobicContact CG-CD2 4.11Å; P79-L742 HydrophobicContact CG-CG 4.14Å; P79-L742 WeakPolarHBondContact O-CD2 3.18Å; L739-L742 WeakPolarHBondContact O-CB 3.18Å; L739-L742 WeakPolarHBondContact O-CG 3.46Å; L739-L742 PolarHBondContact O-N 3.38Å; T740-L742 PolarHBondContact O-N 2.7Å; L742-S745 PolarHBondContact O-OG 2.79Å; L742-L765 HydrophobicContact CD1-CD2 4.1Å; L742-F796 HydrophobicContact CD1-CD1 4.12Å; L742-F796 HydrophobicContact CD1-CE1 3.62Å; L742-I826 HydrophobicContact CD2-CD1 3.66Å; L742-I826 HydrophobicContact CD2-CG1 3.97Å; L742-I826 HydrophobicContact CD2-CG2 4.02Å
743	V	59.9	Low	58.1	Low	14 Å²	14	55.2 Å²	55.2	9%	0.085	30%	0.296	C	S	.	.	H	α-helix	trans	-73.9	-45.6	178	-171.8	0	0	0	0	111.3	T740 S741 S745 Y755 L765	T740-V743 WeakPolarHBondContact O-CB 3.24Å; T740-V743 PolarHBondContact O-N 3.11Å; S741-V743 PolarHBondContact O-N 2.81Å; V743-S745 VanDerWaalsContact C-N 3.32Å; V743-S745 PolarHBondContact O-N 3.2Å; V743-Y755 HydrophobicContact CG1-CD2 4.4Å; V743-Y755 HydrophobicContact CG1-CG 4.07Å; V743-Y755 HydrophobicContact CG2-CD2 3.64Å; V743-Y755 HydrophobicContact CG2-CE2 4.07Å; V743-Y755 HydrophobicContact CG2-CG 4.14Å; V743-L765 HydrophobicContact CG2-CD1 3.46Å; V743-L765 VanDerWaalsContact CG2-CD1 3.46Å
744	S	56.5	Low	57.8	Low	79 Å²	79	57 Å²	57	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-76.3	-17.8	-179.8	54.3	0	0	0	0	113.5	S741 L746	S741-S744 PolarHBondContact O-N 3.25Å; S741-S744 PolarHBondContact O-OG 3.37Å; S744-L746 PolarHBondContact O-N 3.01Å
745	S	54.7	Low	57.3	Low	22 Å²	22	57.4 Å²	57.4	15%	0.154	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.9	177.3	75.7	0	0	0	0	115	N78 S741 L742 V743	N78-S745 WeakPolarHBondContact ND2-CB 3.49Å; S741-S745 WeakPolarHBondContact O-CB 3.23Å; S741-S745 PolarHBondContact O-N 2.86Å; L742-S745 PolarHBondContact O-OG 2.79Å; V743-S745 VanDerWaalsContact C-N 3.32Å; V743-S745 PolarHBondContact O-N 3.2Å
746	L	53.5	Low	56.9	Low	32 Å²	32	61.6 Å²	61.6	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-109.6	120.5	-172.9	-76.8	147.4	0	0	0	111.4	S744 S748 L751 I826 L830	S744-L746 PolarHBondContact O-N 3.01Å; L746-S748 PolarHBondContact O-N 2.99Å; L746-L751 HydrophobicContact CB-CD1 3.58Å; L746-L751 HydrophobicContact CD1-CD1 3.6Å; L746-L751 HydrophobicContact CD2-CD1 4.49Å; L746-L751 HydrophobicContact CG-CD1 4.07Å; L746-I826 HydrophobicContact CD1-CG2 4.11Å; L746-L830 HydrophobicContact CD1-CD1 3.29Å
747	R	49.8	Very low	56.8	Low	257 Å²	257	65.7 Å²	65.7	97%	0.97	33%	0.331	S	S	*	.			trans	-73.5	25.7	-174.9	-61.4	-176.1	176.6	179.3	0.3	115
748	S	50.6	Low	56.5	Low	48 Å²	48	65.4 Å²	65.4	34%	0.336	33%	0.33	S	S	.	.			trans	-107.2	116.9	177.5	53.4	0	0	0	0	111.4	L746 D750 L751	L746-S748 PolarHBondContact O-N 2.99Å; S748-D750 PolarHBondContact O-N 2.75Å; S748-D750 VanDerWaalsContact O-N 3.08Å; S748-L751 PolarHBondContact O-N 3.48Å; S748-L751 WeakPolarHBondContact OG-CD1 3.09Å
749	N	45.7	Very low	55.8	Low	136 Å²	136	68.7 Å²	68.7	73%	0.727	35%	0.352	S	S	*	.	H	α-helix	trans	-53.3	-31.9	175.8	-65.4	-13.6	0	0	0	112.3	L751 F752 Q753	N749-L751 VanDerWaalsContact C-N 3.26Å; N749-L751 PolarHBondContact O-N 2.89Å; N749-F752 PolarHBondContact O-N 3.17Å; N749-Q753 PolarHBondContact O-N 2.81Å
750	D	49.6	Very low	55.2	Low	124 Å²	124	73.8 Å²	73.8	66%	0.663	38%	0.378	S	S	*	.	H	α-helix	trans	-56.5	-34.4	175.6	-57.6	-6.5	0	0	0	113	S748 Q753 F754	S748-D750 PolarHBondContact O-N 2.75Å; S748-D750 VanDerWaalsContact O-N 3.08Å; D750-Q753 PolarHBondContact O-N 3.35Å; D750-F754 WeakPolarHBondContact O-CB 3.48Å; D750-F754 PolarHBondContact O-N 3.45Å
751	L	50.9	Low	55	Low	30 Å²	30	71.9 Å²	71.9	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-76.1	-29.2	-178.5	-84.5	175.4	0	0	0	113.2	L746 S748 N749 Q753 F754 Y755 L830	L746-L751 HydrophobicContact CB-CD1 3.58Å; L746-L751 HydrophobicContact CD1-CD1 3.6Å; L746-L751 HydrophobicContact CD2-CD1 4.49Å; L746-L751 HydrophobicContact CG-CD1 4.07Å; S748-L751 PolarHBondContact O-N 3.48Å; S748-L751 WeakPolarHBondContact OG-CD1 3.09Å; N749-L751 VanDerWaalsContact C-N 3.26Å; N749-L751 PolarHBondContact O-N 2.89Å; L751-Q753 VanDerWaalsContact C-N 3.33Å; L751-F754 HydrophobicContact CD2-CB 4.2Å; L751-F754 HydrophobicContact CD2-CD1 3.69Å; L751-F754 HydrophobicContact CD2-CE1 4.48Å; L751-F754 HydrophobicContact CD2-CG 4.28Å; L751-F754 PolarHBondContact O-N 3.19Å; L751-Y755 PolarHBondContact O-N 2.99Å; L751-L830 HydrophobicContact CD1-CD1 4.11Å; L751-L830 HydrophobicContact CD2-CD1 4.41Å
752	F	49.9	Very low	54.8	Low	99 Å²	99	75.3 Å²	75.3	43%	0.434	38%	0.38	S	S	.	.	H	α-helix	trans	-70.4	-33.7	172.7	-144.8	-84.4	0	0	0	111	N749 N756	N749-F752 PolarHBondContact O-N 3.17Å; F752-N756 PolarHBondContact O-N 2.89Å; F752-N756 PolarHBondContact O-ND2 2.66Å
753	Q	50.4	Low	54.4	Low	117 Å²	117	76.4 Å²	76.4	55%	0.547	39%	0.391	S	S	.	.	H	α-helix	trans	-66.8	-46.4	167.2	-65.4	-167.1	7.9	0	0	111.3	N749 D750 L751 Y755 N756 Q757	N749-Q753 PolarHBondContact O-N 2.81Å; D750-Q753 PolarHBondContact O-N 3.35Å; L751-Q753 VanDerWaalsContact C-N 3.33Å; Q753-Y755 PolarHBondContact O-N 2.82Å; Q753-N756 PolarHBondContact O-N 3.28Å; Q753-N756 VanDerWaalsContact O-N 3.16Å; Q753-Q757 WeakPolarHBondContact O-CB 3.29Å; Q753-Q757 VanDerWaalsContact O-CG 3.23Å; Q753-Q757 WeakPolarHBondContact O-CG 3.3Å; Q753-Q757 PolarHBondContact O-N 3.39Å
754	F	52.9	Low	54.5	Low	38 Å²	38	76.8 Å²	76.8	17%	0.167	39%	0.391	C	S	.	.	H	α-helix	trans	-59.3	-42	-180	-176.9	-115	0	0	0	113.1	D750 L751 N756 Q757 N758 L761	D750-F754 WeakPolarHBondContact O-CB 3.48Å; D750-F754 PolarHBondContact O-N 3.45Å; L751-F754 HydrophobicContact CD2-CB 4.2Å; L751-F754 HydrophobicContact CD2-CD1 3.69Å; L751-F754 HydrophobicContact CD2-CE1 4.48Å; L751-F754 HydrophobicContact CD2-CG 4.28Å; L751-F754 PolarHBondContact O-N 3.19Å; F754-N756 VanDerWaalsContact C-N 3.35Å; F754-N756 PolarHBondContact O-N 3Å; F754-Q757 PolarHBondContact O-N 3.28Å; F754-N758 HydrophobicContact CD2-CB 4.29Å; F754-N758 HydrophobicContact CE2-CB 4.11Å; F754-N758 WeakPolarHBondContact CE2-ND2 3.41Å; F754-N758 HydrophobicContact CZ-CB 4.3Å; F754-N758 WeakPolarHBondContact CZ-ND2 3.42Å; F754-N758 WeakPolarHBondContact O-CB 3.48Å; F754-N758 PolarHBondContact O-N 3.31Å; F754-L761 HydrophobicContact CD1-CD2 3.71Å; F754-L761 HydrophobicContact CE1-CD2 3.74Å
755	Y	54.2	Low	54.9	Low	30 Å²	30	73 Å²	73	12%	0.118	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-40.4	175.3	177.7	-101.2	0	0	0	112.8	V743 L751 Q753 L761 K762 L765 Q766	V743-Y755 HydrophobicContact CG1-CD2 4.4Å; V743-Y755 HydrophobicContact CG1-CG 4.07Å; V743-Y755 HydrophobicContact CG2-CD2 3.64Å; V743-Y755 HydrophobicContact CG2-CE2 4.07Å; V743-Y755 HydrophobicContact CG2-CG 4.14Å; L751-Y755 PolarHBondContact O-N 2.99Å; Q753-Y755 PolarHBondContact O-N 2.82Å; Y755-L761 HydrophobicContact CD2-CD2 4.2Å; Y755-L761 HydrophobicContact CD2-CG 4.3Å; Y755-K762 HydrophobicContact CE2-CB 4.19Å; Y755-K762 HydrophobicContact CE2-CG 4.28Å; Y755-L765 HydrophobicContact CD2-CD1 4.32Å; Y755-L765 HydrophobicContact CE2-CD1 4.17Å; Y755-Q766 PolarHBondContact OH-NE2 3.4Å; Y755-Q766 VanDerWaalsContact OH-NE2 3.15Å
756	N	56.5	Low	55.4	Low	102 Å²	102	76 Å²	76	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-75.8	-25	177.8	-74.1	-61.4	0	0	0	113.1	F752 Q753 F754	F752-N756 PolarHBondContact O-N 2.89Å; F752-N756 PolarHBondContact O-ND2 2.66Å; Q753-N756 PolarHBondContact O-N 3.28Å; Q753-N756 VanDerWaalsContact O-N 3.16Å; F754-N756 VanDerWaalsContact C-N 3.35Å; F754-N756 PolarHBondContact O-N 3Å
757	Q	53.6	Low	55.6	Low	136 Å²	136	74.9 Å²	74.9	64%	0.636	37%	0.371	S	S	*	.	H	α-helix	trans	-91.9	-22.7	179	-69.7	169.9	10.3	0	0	113.9	Q753 F754 P759	Q753-Q757 WeakPolarHBondContact O-CB 3.29Å; Q753-Q757 VanDerWaalsContact O-CG 3.23Å; Q753-Q757 WeakPolarHBondContact O-CG 3.3Å; Q753-Q757 PolarHBondContact O-N 3.39Å; F754-Q757 PolarHBondContact O-N 3.28Å; Q757-P759 WeakPolarHBondContact O-CD 3.47Å
758	N	57.3	Low	55.9	Low	23 Å²	23	62.9 Å²	62.9	12%	0.123	33%	0.327	C	S	.	.			trans	-106.1	95.1	-174.8	-171.4	-16.3	0	0	0	111.8	F754 L760 L761 K762 L833	F754-N758 HydrophobicContact CD2-CB 4.29Å; F754-N758 HydrophobicContact CE2-CB 4.11Å; F754-N758 WeakPolarHBondContact CE2-ND2 3.41Å; F754-N758 HydrophobicContact CZ-CB 4.3Å; F754-N758 WeakPolarHBondContact CZ-ND2 3.42Å; F754-N758 WeakPolarHBondContact O-CB 3.48Å; F754-N758 PolarHBondContact O-N 3.31Å; N758-L760 PolarHBondContact O-N 2.64Å; N758-L760 WeakPolarHBondContact OD1-CB 3.37Å; N758-L760 PolarHBondContact OD1-N 2.98Å; N758-L761 HydrophobicContact CB-CB 4.15Å; N758-L761 PolarHBondContact O-N 3.5Å; N758-L761 PolarHBondContact OD1-N 3.08Å; N758-K762 PolarHBondContact O-N 3.27Å; N758-K762 VanDerWaalsContact O-N 3.1Å; N758-L833 PolarHBondContact ND2-O 3.17Å
759	P	56.7	Low	56.3	Low	100 Å²	100	60.6 Å²	60.6	65%	0.649	31%	0.311	S	S	*	.	H	α-helix	trans	-65.1	-20.4	-179.8	27.1	-35.4	0	0	0	113.4	Q757 G763	Q757-P759 WeakPolarHBondContact O-CD 3.47Å; P759-G763 PolarHBondContact O-N 3.39Å
760	L	55.8	Low	56.8	Low	107 Å²	107	54.9 Å²	54.9	56%	0.56	28%	0.281	S	S	*	.	H	α-helix	trans	-74	-42.8	176	-60.3	174.3	0	0	0	111.4	N758 G763 R764	N758-L760 PolarHBondContact O-N 2.64Å; N758-L760 WeakPolarHBondContact OD1-CB 3.37Å; N758-L760 PolarHBondContact OD1-N 2.98Å; L760-G763 PolarHBondContact O-N 2.62Å; L760-R764 WeakPolarHBondContact O-CG 3.45Å; L760-R764 PolarHBondContact O-N 3Å
761	L	62.1	Low	57.1	Low	2 Å²	2	49.8 Å²	49.8	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-45.2	173.3	178.6	65.9	0	0	0	110.5	F754 Y755 N758 G763 R764 L765 W829 L830 L833	F754-L761 HydrophobicContact CD1-CD2 3.71Å; F754-L761 HydrophobicContact CE1-CD2 3.74Å; Y755-L761 HydrophobicContact CD2-CD2 4.2Å; Y755-L761 HydrophobicContact CD2-CG 4.3Å; N758-L761 HydrophobicContact CB-CB 4.15Å; N758-L761 PolarHBondContact O-N 3.5Å; N758-L761 PolarHBondContact OD1-N 3.08Å; L761-G763 PolarHBondContact O-N 3.19Å; L761-R764 PolarHBondContact O-N 2.8Å; L761-L765 HydrophobicContact CD1-CD1 3.78Å; L761-L765 HydrophobicContact CD1-CG 4Å; L761-L765 HydrophobicContact CG-CD1 4.01Å; L761-L765 HydrophobicContact CG-CG 4.46Å; L761-L765 WeakPolarHBondContact O-CG 3.16Å; L761-L765 PolarHBondContact O-N 2.83Å; L761-W829 HydrophobicContact CD1-CH2 4.15Å; L761-W829 HydrophobicContact CD1-CZ3 4.02Å; L761-L830 HydrophobicContact CD1-CD2 3.64Å; L761-L830 HydrophobicContact CD2-CD2 3.97Å; L761-L830 HydrophobicContact CG-CD2 4.49Å; L761-L833 HydrophobicContact CD1-CD1 3.76Å
762	K	63	Low	57.8	Low	85 Å²	85	49.5 Å²	49.5	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-46.1	175.7	-173.6	173.4	-179	179.4	0	111.5	Y755 N758 Q766	Y755-K762 HydrophobicContact CE2-CB 4.19Å; Y755-K762 HydrophobicContact CE2-CG 4.28Å; N758-K762 PolarHBondContact O-N 3.27Å; N758-K762 VanDerWaalsContact O-N 3.1Å; K762-Q766 HydrophobicContact CG-CG 4.36Å; K762-Q766 WeakPolarHBondContact O-CB 3.39Å; K762-Q766 VanDerWaalsContact O-CG 3.29Å; K762-Q766 WeakPolarHBondContact O-CG 3.35Å; K762-Q766 PolarHBondContact O-N 3.29Å
763	G	58.9	Low	58.6	Low	24 Å²	24	47.5 Å²	47.5	25%	0.247	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-40	176.5	0	0	0	0	0	114	P759 L760 L761 S767 Y792	P759-G763 PolarHBondContact O-N 3.39Å; L760-G763 PolarHBondContact O-N 2.62Å; L761-G763 PolarHBondContact O-N 3.19Å; G763-S767 PolarHBondContact O-N 2.87Å; G763-S767 VanDerWaalsContact O-N 3.14Å; G763-Y792 WeakPolarHBondContact O-CE2 3.03Å
764	R	62.3	Low	59.5	Low	21 Å²	21	42.4 Å²	42.4	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-50	174.9	-77.2	-175.1	175.8	-132.4	4.5	112.2	T85 Y87 L760 L761 Q766 S767 Y792 D794	T85-R764 PolarHBondContact O-NH1 2.86Å; T85-R764 PolarHBondContact O-NH2 2.94Å; T85-R764 PolarHBondContact OG1-NH1 3.35Å; T85-R764 PolarHBondContact OG1-NH2 3.3Å; Y87-R764 PolarHBondContact O-NH2 3.27Å; L760-R764 WeakPolarHBondContact O-CG 3.45Å; L760-R764 PolarHBondContact O-N 3Å; L761-R764 PolarHBondContact O-N 2.8Å; R764-Q766 VanDerWaalsContact C-N 3.34Å; R764-Q766 PolarHBondContact O-N 2.86Å; R764-S767 WeakPolarHBondContact O-CB 3.31Å; R764-S767 PolarHBondContact O-N 2.81Å; R764-S767 PolarHBondContact O-OG 2.95Å; R764-Y792 HydrophobicContact CB-CD2 4.26Å; R764-Y792 HydrophobicContact CG-CD1 3.96Å; R764-Y792 HydrophobicContact CG-CD2 3.75Å; R764-Y792 HydrophobicContact CG-CE1 4.32Å; R764-Y792 HydrophobicContact CG-CE2 4.12Å; R764-Y792 HydrophobicContact CG-CG 3.65Å; R764-D794 WeakPolarHBondContact CD-OD2 3.39Å; R764-D794 IonicContact CZ-OD2 3.01Å; R764-D794 IonicContact NE-OD2 2.7Å; R764-D794 IonicContact NH1-OD1 3.34Å; R764-D794 PolarHBondContact NH1-OD1 3.37Å; R764-D794 IonicContact NH1-OD2 3.4Å; R764-D794 PolarHBondContact NH1-OD2 2.9Å
765	L	65.4	Low	60.5	Low	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73.9	-21.7	-178.4	-64.7	-179.1	0	0	0	114.1	L739 L742 V743 Y755 L761 W829	L739-L765 HydrophobicContact CB-CD2 4.29Å; L742-L765 HydrophobicContact CD1-CD2 4.1Å; V743-L765 HydrophobicContact CG2-CD1 3.46Å; V743-L765 VanDerWaalsContact CG2-CD1 3.46Å; Y755-L765 HydrophobicContact CD2-CD1 4.32Å; Y755-L765 HydrophobicContact CE2-CD1 4.17Å; L761-L765 HydrophobicContact CD1-CD1 3.78Å; L761-L765 HydrophobicContact CD1-CG 4Å; L761-L765 HydrophobicContact CG-CD1 4.01Å; L761-L765 HydrophobicContact CG-CG 4.46Å; L761-L765 WeakPolarHBondContact O-CG 3.16Å; L761-L765 PolarHBondContact O-N 2.83Å; L765-W829 HydrophobicContact CD2-CH2 3.79Å; L765-W829 HydrophobicContact CD2-CZ3 4.14Å; L765-W829 HydrophobicContact CG-CH2 4.46Å
766	Q	63.7	Low	61.2	Low	85 Å²	85	45.1 Å²	45.1	40%	0.397	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14.5	171.3	-60.7	-173.9	-26.5	0	0	112.7	Y710 Y755 K762 R764	Y710-Q766 VanDerWaalsContact CD1-O 3.24Å; Y710-Q766 WeakPolarHBondContact CD1-O 3.42Å; Y710-Q766 WeakPolarHBondContact CE1-O 3.24Å; Y755-Q766 PolarHBondContact OH-NE2 3.4Å; Y755-Q766 VanDerWaalsContact OH-NE2 3.15Å; K762-Q766 HydrophobicContact CG-CG 4.36Å; K762-Q766 WeakPolarHBondContact O-CB 3.39Å; K762-Q766 VanDerWaalsContact O-CG 3.29Å; K762-Q766 WeakPolarHBondContact O-CG 3.35Å; K762-Q766 PolarHBondContact O-N 3.29Å; R764-Q766 VanDerWaalsContact C-N 3.34Å; R764-Q766 PolarHBondContact O-N 2.86Å
767	S	57.8	Low	61.8	Low	8 Å²	8	41.1 Å²	41.1	6%	0.056	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.3	162.5	177.5	65.8	0	0	0	0	112.2	G763 R764	G763-S767 PolarHBondContact O-N 2.87Å; G763-S767 VanDerWaalsContact O-N 3.14Å; R764-S767 WeakPolarHBondContact O-CB 3.31Å; R764-S767 PolarHBondContact O-N 2.81Å; R764-S767 PolarHBondContact O-OG 2.95Å
768	S	56	Low	62.1	Low	5 Å²	5	36.4 Å²	36.4	4%	0.035	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-68.2	169	164.4	38.8	0	0	0	0	110.4	Y710 P791	Y710-S768 WeakPolarHBondContact OH-CB 3.19Å; Y710-S768 PolarHBondContact OH-OG 3.4Å; S768-P791 WeakPolarHBondContact O-CD 3.36Å; S768-P791 WeakPolarHBondContact OG-CG 3.31Å
769	I	60.2	Low	62.1	Low	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-101.4	140.1	164.1	-69.5	157.3	0	0	0	107	Y683 T707 Q709 A712 G771 L788	Y683-I769 WeakPolarHBondContact CE2-O 3.45Å; Y683-I769 PolarHBondContact OH-O 3.29Å; T707-I769 HydrophobicContact CG2-CD1 4.15Å; T707-I769 HydrophobicContact CG2-CG2 4.43Å; T707-I769 WeakPolarHBondContact OG1-CD1 3.5Å; Q709-I769 PolarHBondContact NE2-O 2.79Å; Q709-I769 VanDerWaalsContact NE2-O 3.14Å; A712-I769 HydrophobicContact CB-CD1 3.74Å; A712-I769 HydrophobicContact CB-CG1 4.03Å; I769-G771 VanDerWaalsContact CG2-O 3.26Å; I769-G771 WeakPolarHBondContact CG2-O 3.15Å; I769-L788 HydrophobicContact CD1-CD1 3.8Å; I769-L788 HydrophobicContact CD1-CD2 4.49Å
770	C	54.7	Low	61.9	Low	16 Å²	16	37.7 Å²	37.7	11%	0.108	21%	0.205	C	C	.	.			trans	-104.8	-19	176.1	62.1	0	0	0	0	113.3	V350 Y683 L789	V350-C770 HydrophobicContact CG2-CB 4.13Å; Y683-C770 WeakPolarHBondContact CE1-O 3.37Å; Y683-C770 WeakPolarHBondContact OH-CA 3.28Å; Y683-C770 PolarHBondContact OH-O 3.48Å; C770-L789 PolarHBondContact N-O 3.2Å; C770-L789 VanDerWaalsContact SG-CG 3.6Å; C770-L789 PolarHBondContact SG-O 3.23Å
771	G	56.6	Low	62	Low	17 Å²	17	35.7 Å²	35.7	18%	0.175	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	155.4	173	0	0	0	0	0	113.9	I769 L789	I769-G771 VanDerWaalsContact CG2-O 3.26Å; I769-G771 WeakPolarHBondContact CG2-O 3.15Å; G771-L789 PolarHBondContact O-N 3.36Å
772	I	65.9	Low	62.1	Low	24 Å²	24	36.5 Å²	36.5	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.5	175.5	178.3	168.9	0	0	0	109.1	Y683 A685 T707 T786 L787 L788	Y683-I772 HydrophobicContact CG-CG2 4.33Å; A685-I772 HydrophobicContact CB-CG1 4.47Å; A685-I772 HydrophobicContact CB-CG2 4.27Å; T707-I772 HydrophobicContact CG2-CB 4.2Å; T707-I772 HydrophobicContact CG2-CD1 3.83Å; T707-I772 HydrophobicContact CG2-CG2 4.16Å; I772-T786 HydrophobicContact CD1-CG2 3.88Å; I772-T786 HydrophobicContact CG1-CG2 3.81Å; I772-L787 WeakPolarHBondContact CA-O 3.46Å; I772-L788 HydrophobicContact CB-CD2 3.82Å; I772-L788 HydrophobicContact CD1-CD2 3.67Å; I772-L788 HydrophobicContact CG1-CD2 3.62Å
773	T	66.5	Low	62.4	Low	58 Å²	58	32.5 Å²	32.5	36%	0.356	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150	168.6	-173.7	0	0	0	0	111	T786 L787	T773-T786 CarbonylContact O-C 3.56Å; T773-T786 WeakPolarHBondContact O-CA 3.44Å; T773-L787 HydrophobicContact CG2-CB 4.03Å; T773-L787 HydrophobicContact CG2-CD1 4.33Å; T773-L787 HydrophobicContact CG2-CG 4.49Å; T773-L787 PolarHBondContact N-O 2.9Å; T773-L787 VanDerWaalsContact N-O 3.09Å; T773-L787 PolarHBondContact O-N 2.82Å
774	T	68.9	Low	63.1	Low	10 Å²	10	31.7 Å²	31.7	6%	0.061	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136	-177.1	-64.4	0	0	0	0	110.8	T687 S705 H785 T786	T687-T774 VanDerWaalsContact OG1-CB 3.3Å; T687-T774 WeakPolarHBondContact OG1-CB 3.37Å; T687-T774 WeakPolarHBondContact OG1-CG2 3.32Å; T687-T774 PolarHBondContact OG1-O 3.01Å; S705-T774 WeakPolarHBondContact CB-OG1 3.21Å; S705-T774 PolarHBondContact OG-OG1 3.05Å; T774-H785 CarbonylContact C-O 3.5Å; T774-H785 WeakPolarHBondContact CA-O 3.44Å; T774-T786 WeakPolarHBondContact CG2-OG1 3.47Å; T774-T786 VanDerWaalsContact OG1-CG2 3.29Å; T774-T786 WeakPolarHBondContact OG1-CG2 3.5Å; T774-T786 PolarHBondContact OG1-OG1 3.23Å
775	H	73.8	Confident	63.7	Low	104 Å²	104	32.1 Å²	32.1	48%	0.481	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.2	-177.1	179.3	-88.4	0	0	0	110.5	F784 H785	H775-F784 WeakPolarHBondContact O-CA 3.45Å; H775-H785 PolarHBondContact N-O 3.35Å; H775-H785 PolarHBondContact O-N 3.2Å
776	Y	70.5	Confident	64	Low	21 Å²	21	32.2 Å²	32.2	8%	0.082	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.1	172	178.2	-130.6	0	0	0	110.7	I689 Y693 I699 P778 N782 Q783 F784	I689-Y776 HydrophobicContact CG2-CD1 4.18Å; I689-Y776 HydrophobicContact CG2-CE1 4.26Å; Y693-Y776 HydrophobicContact CD1-CE1 4.34Å; Y693-Y776 HydrophobicContact CD2-CD1 4.38Å; Y693-Y776 AromaticContact CD2-CE1 3.81Å; Y693-Y776 HydrophobicContact CD2-CE1 3.81Å; Y693-Y776 AromaticContact CG-CE1 3.73Å; Y693-Y776 HydrophobicContact CG-CE1 3.73Å; I699-Y776 WeakPolarHBondContact CD1-OH 3.42Å; Y776-P778 HydrophobicContact CD1-CB 4.45Å; Y776-P778 HydrophobicContact CE1-CB 3.9Å; Y776-P778 VanDerWaalsContact O-CD 3.31Å; Y776-P778 WeakPolarHBondContact O-CD 3.5Å; Y776-N782 HydrophobicContact CE2-CB 4.13Å; Y776-N782 PolarHBondContact OH-OD1 3.45Å; Y776-Q783 WeakPolarHBondContact CD2-O 3.42Å; Y776-F784 AromaticContact CD2-CD1 3.24Å; Y776-F784 HydrophobicContact CD2-CD1 3.24Å; Y776-F784 AromaticContact CD2-CE1 3.03Å; Y776-F784 HydrophobicContact CD2-CE1 3.03Å; Y776-F784 HydrophobicContact CD2-CG 4.19Å; Y776-F784 AromaticContact CD2-CZ 3.86Å; Y776-F784 HydrophobicContact CD2-CZ 3.86Å; Y776-F784 AromaticContact CE2-CD1 3.95Å; Y776-F784 HydrophobicContact CE2-CD1 3.95Å; Y776-F784 AromaticContact CE2-CE1 3.36Å; Y776-F784 HydrophobicContact CE2-CE1 3.36Å; Y776-F784 AromaticContact CE2-CZ 3.69Å; Y776-F784 HydrophobicContact CE2-CZ 3.69Å; Y776-F784 AromaticContact CG-CD1 3.96Å; Y776-F784 HydrophobicContact CG-CD1 3.96Å; Y776-F784 AromaticContact CG-CE1 3.75Å; Y776-F784 HydrophobicContact CG-CE1 3.75Å
777	S	69.1	Low	64.4	Low	18 Å²	18	30.5 Å²	30.5	13%	0.126	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	97.9	175.4	-169.4	0	0	0	0	109.5	Q783	S777-Q783 PolarHBondContact N-O 3.48Å; S777-Q783 PolarHBondContact O-N 3.03Å; S777-Q783 VanDerWaalsContact O-N 3.17Å
778	P	59.5	Low	65	Low	36 Å²	36	30.1 Å²	30.1	23%	0.234	16%	0.162	C	C	.	.			trans	-74.6	-31.8	179.8	29	-34.3	0	0	0	112.8	Y693 Y776 I780	Y693-P778 HydrophobicContact CD1-CB 4.05Å; Y693-P778 HydrophobicContact CD2-CB 4.36Å; Y693-P778 HydrophobicContact CE1-CB 3.47Å; Y693-P778 VanDerWaalsContact CE1-CB 3.47Å; Y693-P778 HydrophobicContact CE1-CG 4.38Å; Y693-P778 HydrophobicContact CE2-CB 3.83Å; Y693-P778 HydrophobicContact CE2-CG 4.04Å; Y693-P778 HydrophobicContact CG-CB 4.47Å; Y776-P778 HydrophobicContact CD1-CB 4.45Å; Y776-P778 HydrophobicContact CE1-CB 3.9Å; Y776-P778 VanDerWaalsContact O-CD 3.31Å; Y776-P778 WeakPolarHBondContact O-CD 3.5Å; P778-I780 PolarHBondContact O-N 3.24Å; P778-I780 VanDerWaalsContact O-N 3.11Å
779	D	56.3	Low	65.3	Low	119 Å²	119	31.4 Å²	31.4	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.6	-170.4	-64.9	-22.3	0	0	0	113.6
780	I	52	Low	65.4	Low	32 Å²	32	31.5 Å²	31.5	16%	0.164	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136	106.3	-177.9	-57.5	84.6	0	0	0	109.1	P778 N782 Q783 V871	P778-I780 PolarHBondContact O-N 3.24Å; P778-I780 VanDerWaalsContact O-N 3.11Å; I780-N782 PolarHBondContact O-N 3.25Å; I780-Q783 WeakPolarHBondContact O-CG 3.33Å; I780-Q783 PolarHBondContact O-N 2.89Å; I780-V871 HydrophobicContact CD1-CB 4.03Å; I780-V871 HydrophobicContact CD1-CG1 3.47Å; I780-V871 VanDerWaalsContact CD1-CG1 3.47Å; I780-V871 HydrophobicContact CD1-CG2 3.91Å; I780-V871 HydrophobicContact CG1-CB 4.23Å; I780-V871 HydrophobicContact CG1-CG1 4.05Å; I780-V871 HydrophobicContact CG1-CG2 4.23Å; I780-V871 WeakPolarHBondContact CG1-O 3.41Å
781	K	57.9	Low	65.3	Low	65 Å²	65	31.4 Å²	31.4	28%	0.283	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	28.5	163.5	-58.4	-163.7	171.4	-150.6	0	115.7	Q783 D811 V814	K781-Q783 HydrophobicContact CB-CG 4.4Å; K781-Q783 PolarHBondContact O-N 3.19Å; K781-D811 IonicContact NZ-OD1 2.64Å; K781-D811 PolarHBondContact NZ-OD1 3.42Å; K781-V814 HydrophobicContact CD-CG1 4.16Å; K781-V814 VanDerWaalsContact NZ-CG2 3.32Å
782	N	64.9	Low	65.1	Low	18 Å²	18	35.3 Å²	35.3	10%	0.096	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	57	-179.3	-55	-46.1	0	0	0	112.6	H697 Y776 I780 L802	H697-N782 PolarHBondContact CD2-ND2 3.06Å; H697-N782 PolarHBondContact NE2-ND2 3.3Å; Y776-N782 HydrophobicContact CE2-CB 4.13Å; Y776-N782 PolarHBondContact OH-OD1 3.45Å; I780-N782 PolarHBondContact O-N 3.25Å; N782-L802 HydrophobicContact CB-CB 3.88Å; N782-L802 PolarHBondContact O-N 2.93Å
783	Q	70.1	Confident	64.4	Low	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.8	-175	-71.6	178.4	-25.4	0	0	112.5	F76 Y776 S777 I780 K781 A800	F76-Q783 HydrophobicContact CE2-CG 4.1Å; F76-Q783 VanDerWaalsContact CE2-NE2 3.34Å; Y776-Q783 WeakPolarHBondContact CD2-O 3.42Å; S777-Q783 PolarHBondContact N-O 3.48Å; S777-Q783 PolarHBondContact O-N 3.03Å; S777-Q783 VanDerWaalsContact O-N 3.17Å; I780-Q783 WeakPolarHBondContact O-CG 3.33Å; I780-Q783 PolarHBondContact O-N 2.89Å; K781-Q783 HydrophobicContact CB-CG 4.4Å; K781-Q783 PolarHBondContact O-N 3.19Å; Q783-A800 CarbonylContact C-O 3.58Å; Q783-A800 WeakPolarHBondContact CA-O 3.33Å
784	F	72.5	Confident	64.2	Low	7 Å²	7	31.6 Å²	31.6	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.9	174.3	-51.5	-76.9	0	0	0	109	L73 I689 I699 L703 H775 Y776 C799 A800 L802	L73-F784 HydrophobicContact CD1-CD2 3.61Å; L73-F784 HydrophobicContact CD1-CE2 3.47Å; L73-F784 VanDerWaalsContact CD1-CE2 3.47Å; I689-F784 HydrophobicContact CD1-CE1 3.76Å; I689-F784 HydrophobicContact CD1-CZ 4.49Å; I699-F784 HydrophobicContact CD1-CZ 4.46Å; I699-F784 HydrophobicContact CG2-CZ 4.09Å; L703-F784 HydrophobicContact CD1-CB 4.27Å; L703-F784 HydrophobicContact CD1-CD1 3.15Å; L703-F784 HydrophobicContact CD1-CD2 4.04Å; L703-F784 HydrophobicContact CD1-CE1 3.29Å; L703-F784 HydrophobicContact CD1-CE2 4.14Å; L703-F784 HydrophobicContact CD1-CG 3.56Å; L703-F784 HydrophobicContact CD1-CZ 3.81Å; L703-F784 HydrophobicContact CG-CE1 4.41Å; H775-F784 WeakPolarHBondContact O-CA 3.45Å; Y776-F784 AromaticContact CD2-CD1 3.24Å; Y776-F784 HydrophobicContact CD2-CD1 3.24Å; Y776-F784 AromaticContact CD2-CE1 3.03Å; Y776-F784 HydrophobicContact CD2-CE1 3.03Å; Y776-F784 HydrophobicContact CD2-CG 4.19Å; Y776-F784 AromaticContact CD2-CZ 3.86Å; Y776-F784 HydrophobicContact CD2-CZ 3.86Å; Y776-F784 AromaticContact CE2-CD1 3.95Å; Y776-F784 HydrophobicContact CE2-CD1 3.95Å; Y776-F784 AromaticContact CE2-CE1 3.36Å; Y776-F784 HydrophobicContact CE2-CE1 3.36Å; Y776-F784 AromaticContact CE2-CZ 3.69Å; Y776-F784 HydrophobicContact CE2-CZ 3.69Å; Y776-F784 AromaticContact CG-CD1 3.96Å; Y776-F784 HydrophobicContact CG-CD1 3.96Å; Y776-F784 AromaticContact CG-CE1 3.75Å; Y776-F784 HydrophobicContact CG-CE1 3.75Å; F784-C799 WeakPolarHBondContact O-CA 3.34Å; F784-A800 PolarHBondContact N-O 2.87Å; F784-A800 PolarHBondContact O-N 3.09Å; F784-L802 HydrophobicContact CE2-CB 4.06Å; F784-L802 HydrophobicContact CE2-CD1 4.43Å
785	H	74.5	Confident	64	Low	30 Å²	30	32.8 Å²	32.8	14%	0.139	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.1	177.2	-66.2	-95.4	0	0	0	109.1	T774 H775 D797	T774-H785 CarbonylContact C-O 3.5Å; T774-H785 WeakPolarHBondContact CA-O 3.44Å; H775-H785 PolarHBondContact N-O 3.35Å; H775-H785 PolarHBondContact O-N 3.2Å; H785-D797 WeakPolarHBondContact CB-OD1 3.32Å; H785-D797 IonicContact CE1-OD2 3.56Å; H785-D797 IonicContact CG-OD1 3.11Å; H785-D797 IonicContact CG-OD2 3.82Å; H785-D797 IonicContact ND1-OD1 2.7Å; H785-D797 IonicContact ND1-OD2 2.68Å; H785-D797 PolarHBondContact ND1-OD2 3.37Å
786	T	73.1	Confident	64	Low	3 Å²	3	27.9 Å²	27.9	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.6	173.7	-62.3	0	0	0	0	109.9	S705 M714 I772 T773 T774 D797 Y798	S705-T786 PolarHBondContact OG-OG1 3.37Å; M714-T786 VanDerWaalsContact CE-CB 3.48Å; M714-T786 HydrophobicContact CE-CG2 3.48Å; M714-T786 VanDerWaalsContact CE-CG2 3.48Å; I772-T786 HydrophobicContact CD1-CG2 3.88Å; I772-T786 HydrophobicContact CG1-CG2 3.81Å; T773-T786 CarbonylContact O-C 3.56Å; T773-T786 WeakPolarHBondContact O-CA 3.44Å; T774-T786 WeakPolarHBondContact CG2-OG1 3.47Å; T774-T786 VanDerWaalsContact OG1-CG2 3.29Å; T774-T786 WeakPolarHBondContact OG1-CG2 3.5Å; T774-T786 PolarHBondContact OG1-OG1 3.23Å; T786-D797 PolarHBondContact N-OD1 3.12Å; T786-Y798 PolarHBondContact N-O 3.2Å; T786-Y798 PolarHBondContact O-N 2.99Å
787	L	71.9	Confident	64.1	Low	49 Å²	49	27.6 Å²	27.6	26%	0.257	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.1	-176.1	-55.8	-179.1	0	0	0	109.7	L82 I772 T773 L795 F796 D797	L82-L787 HydrophobicContact CD1-CD2 3.79Å; I772-L787 WeakPolarHBondContact CA-O 3.46Å; T773-L787 HydrophobicContact CG2-CB 4.03Å; T773-L787 HydrophobicContact CG2-CD1 4.33Å; T773-L787 HydrophobicContact CG2-CG 4.49Å; T773-L787 PolarHBondContact N-O 2.9Å; T773-L787 VanDerWaalsContact N-O 3.09Å; T773-L787 PolarHBondContact O-N 2.82Å; L787-L795 HydrophobicContact CB-CD1 4.15Å; L787-F796 CarbonylContact C-O 3.59Å; L787-F796 WeakPolarHBondContact CA-O 3.41Å; L787-D797 HydrophobicContact CD2-CB 3.73Å
788	L	70.2	Confident	64.5	Low	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.6	169.4	-57.4	-172.6	0	0	0	109.8	T707 M714 I769 I772 F796 Y798	T707-L788 HydrophobicContact CG2-CD2 4.42Å; M714-L788 HydrophobicContact CB-CD1 4.19Å; M714-L788 HydrophobicContact CG-CD1 4.4Å; I769-L788 HydrophobicContact CD1-CD1 3.8Å; I769-L788 HydrophobicContact CD1-CD2 4.49Å; I772-L788 HydrophobicContact CB-CD2 3.82Å; I772-L788 HydrophobicContact CD1-CD2 3.67Å; I772-L788 HydrophobicContact CG1-CD2 3.62Å; L788-F796 PolarHBondContact N-O 3.17Å; L788-F796 PolarHBondContact O-N 2.78Å; L788-Y798 HydrophobicContact CB-CE2 4.48Å; L788-Y798 HydrophobicContact CD1-CD2 4.04Å; L788-Y798 HydrophobicContact CD1-CE2 3.26Å; L788-Y798 HydrophobicContact CG-CD2 4.01Å; L788-Y798 HydrophobicContact CG-CE2 3.7Å
789	L	62.5	Low	65.1	Low	32 Å²	32	25.2 Å²	25.2	17%	0.168	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.5	171.9	-172.6	66.4	0	0	0	110.2	A346 C770 G771 L795	A346-L789 HydrophobicContact CB-CD2 4.37Å; C770-L789 PolarHBondContact N-O 3.2Å; C770-L789 VanDerWaalsContact SG-CG 3.6Å; C770-L789 PolarHBondContact SG-O 3.23Å; G771-L789 PolarHBondContact O-N 3.36Å; L789-L795 HydrophobicContact CB-CD1 4.3Å; L789-L795 HydrophobicContact CD1-CB 4.38Å; L789-L795 HydrophobicContact CD1-CD1 4.13Å
790	T	62	Low	65.8	Low	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.096	C	C	.	.			trans	-94.5	158.6	173.1	63.1	0	0	0	0	111.5	L739 Y792 G793 D794 F796	L739-T790 HydrophobicContact CD1-CG2 4.06Å; T790-Y792 PolarHBondContact O-N 3.14Å; T790-G793 WeakPolarHBondContact O-CA 3.22Å; T790-G793 PolarHBondContact O-N 3.43Å; T790-D794 PolarHBondContact N-O 3.25Å; T790-D794 VanDerWaalsContact N-O 3.1Å; T790-D794 PolarHBondContact OG1-N 3.43Å; T790-D794 PolarHBondContact OG1-O 2.94Å; T790-F796 HydrophobicContact CG2-CD2 4.06Å; T790-F796 HydrophobicContact CG2-CE2 3.77Å
791	P	52.4	Low	66.6	Low	15 Å²	15	19.6 Å²	19.6	10%	0.097	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.3	168.5	-25.5	32.7	0	0	0	113.6	A346 S347 V350 S768 G793	A346-P791 CarbonylContact C-O 3.52Å; A346-P791 WeakPolarHBondContact O-CA 3.47Å; A346-P791 VanDerWaalsContact O-O 3.06Å; S347-P791 WeakPolarHBondContact CA-O 3.26Å; S347-P791 PolarHBondContact N-O 2.99Å; S347-P791 VanDerWaalsContact N-O 3.1Å; V350-P791 HydrophobicContact CG2-CG 4.3Å; S768-P791 WeakPolarHBondContact O-CD 3.36Å; S768-P791 WeakPolarHBondContact OG-CG 3.31Å; P791-G793 PolarHBondContact O-N 3.4Å; P791-G793 VanDerWaalsContact O-N 3.12Å
792	Y	52.5	Low	67.1	Low	99 Å²	99	16.8 Å²	16.8	39%	0.388	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-3.1	174.2	-69.2	-79.5	0	0	0	113.2	T85 G763 R764 T790 D794	T85-Y792 WeakPolarHBondContact CB-O 3.03Å; T85-Y792 VanDerWaalsContact CG2-O 3.31Å; T85-Y792 WeakPolarHBondContact CG2-O 3.34Å; T85-Y792 PolarHBondContact OG1-O 2.95Å; G763-Y792 WeakPolarHBondContact O-CE2 3.03Å; R764-Y792 HydrophobicContact CB-CD2 4.26Å; R764-Y792 HydrophobicContact CG-CD1 3.96Å; R764-Y792 HydrophobicContact CG-CD2 3.75Å; R764-Y792 HydrophobicContact CG-CE1 4.32Å; R764-Y792 HydrophobicContact CG-CE2 4.12Å; R764-Y792 HydrophobicContact CG-CG 3.65Å; T790-Y792 PolarHBondContact O-N 3.14Å; Y792-D794 PolarHBondContact O-N 2.93Å
793	G	52.3	Low	67	Low	3 Å²	3	16.7 Å²	16.7	3%	0.031	8%	0.081	C	C	.	.			trans	75.3	0.5	-175.5	0	0	0	0	0	113.5	T85 T790 P791 L795	T85-G793 WeakPolarHBondContact CG2-O 3.11Å; T790-G793 WeakPolarHBondContact O-CA 3.22Å; T790-G793 PolarHBondContact O-N 3.43Å; P791-G793 PolarHBondContact O-N 3.4Å; P791-G793 VanDerWaalsContact O-N 3.12Å; G793-L795 PolarHBondContact O-N 3.37Å
794	D	61.5	Low	66.3	Low	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.104	C	C	.	.			trans	-66.3	125.6	170.3	-62.2	-52.7	0	0	0	108.4	T85 R764 T790 Y792 F796	T85-D794 PolarHBondContact N-OD1 3.46Å; T85-D794 VanDerWaalsContact N-OD1 3.17Å; T85-D794 PolarHBondContact OG1-OD1 3.46Å; R764-D794 WeakPolarHBondContact CD-OD2 3.39Å; R764-D794 IonicContact CZ-OD2 3.01Å; R764-D794 IonicContact NE-OD2 2.7Å; R764-D794 IonicContact NH1-OD1 3.34Å; R764-D794 PolarHBondContact NH1-OD1 3.37Å; R764-D794 IonicContact NH1-OD2 3.4Å; R764-D794 PolarHBondContact NH1-OD2 2.9Å; T790-D794 PolarHBondContact N-O 3.25Å; T790-D794 VanDerWaalsContact N-O 3.1Å; T790-D794 PolarHBondContact OG1-N 3.43Å; T790-D794 PolarHBondContact OG1-O 2.94Å; Y792-D794 PolarHBondContact O-N 2.93Å; D794-F796 HydrophobicContact CB-CD2 4.43Å; D794-F796 HydrophobicContact CB-CE2 3.63Å; D794-F796 HydrophobicContact CB-CZ 4.03Å
795	L	65.2	Low	65.2	Low	34 Å²	34	27.1 Å²	27.1	18%	0.178	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.8	178.9	-176.7	70.8	0	0	0	109.2	P81 L82 L83 L787 L789 G793	P81-L795 CarbonylContact C-O 3.57Å; P81-L795 WeakPolarHBondContact CA-O 3.4Å; L82-L795 HydrophobicContact CB-CD2 4.25Å; L82-L795 HydrophobicContact CB-CG 4.49Å; L82-L795 HydrophobicContact CD1-CD2 4.08Å; L82-L795 HydrophobicContact CD1-CG 4.49Å; L82-L795 PolarHBondContact N-O 3.39Å; L83-L795 HydrophobicContact CB-CB 4.22Å; L83-L795 HydrophobicContact CD1-CB 4.34Å; L83-L795 HydrophobicContact CD1-CD2 4.05Å; L787-L795 HydrophobicContact CB-CD1 4.15Å; L789-L795 HydrophobicContact CB-CD1 4.3Å; L789-L795 HydrophobicContact CD1-CB 4.38Å; L789-L795 HydrophobicContact CD1-CD1 4.13Å; G793-L795 PolarHBondContact O-N 3.37Å
796	F	72.5	Confident	63.9	Low	2 Å²	2	28.1 Å²	28.1	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.8	-178.8	-65.6	-87.8	0	0	0	111.5	P79 V80 P81 L739 L742 L787 L788 T790 D794 Y798 W829	P79-F796 HydrophobicContact CB-CB 4.22Å; P79-F796 HydrophobicContact CB-CD1 4.39Å; V80-F796 CarbonylContact O-C 3.49Å; V80-F796 WeakPolarHBondContact O-CA 3.47Å; P81-F796 HydrophobicContact CB-CD1 4.13Å; P81-F796 HydrophobicContact CB-CE1 3.92Å; L739-F796 HydrophobicContact CD1-CD2 4.18Å; L739-F796 HydrophobicContact CD1-CE2 4.07Å; L739-F796 HydrophobicContact CD2-CB 4.17Å; L739-F796 HydrophobicContact CD2-CD1 3.91Å; L739-F796 HydrophobicContact CD2-CD2 3.9Å; L739-F796 HydrophobicContact CD2-CE1 4.26Å; L739-F796 HydrophobicContact CD2-CE2 4.24Å; L739-F796 HydrophobicContact CD2-CG 3.72Å; L739-F796 HydrophobicContact CD2-CZ 4.41Å; L742-F796 HydrophobicContact CD1-CD1 4.12Å; L742-F796 HydrophobicContact CD1-CE1 3.62Å; L787-F796 CarbonylContact C-O 3.59Å; L787-F796 WeakPolarHBondContact CA-O 3.41Å; L788-F796 PolarHBondContact N-O 3.17Å; L788-F796 PolarHBondContact O-N 2.78Å; T790-F796 HydrophobicContact CG2-CD2 4.06Å; T790-F796 HydrophobicContact CG2-CE2 3.77Å; D794-F796 HydrophobicContact CB-CD2 4.43Å; D794-F796 HydrophobicContact CB-CE2 3.63Å; D794-F796 HydrophobicContact CB-CZ 4.03Å; F796-Y798 HydrophobicContact CB-CE2 4.44Å; F796-W829 HydrophobicContact CE1-CH2 4.43Å; F796-W829 HydrophobicContact CE1-CZ2 4.35Å; F796-W829 HydrophobicContact CZ-CH2 4.07Å; F796-W829 AromaticContact CZ-CZ2 3.85Å; F796-W829 HydrophobicContact CZ-CZ2 3.85Å
797	D	73.8	Confident	62.5	Low	15 Å²	15	31.6 Å²	31.6	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.2	174	-175.6	29	0	0	0	112.7	P79 V80 L82 H785 T786 L787	P79-D797 CarbonylContact C-O 3.56Å; P79-D797 WeakPolarHBondContact CA-O 3.4Å; V80-D797 PolarHBondContact N-O 2.92Å; V80-D797 PolarHBondContact O-N 3.18Å; L82-D797 HydrophobicContact CD1-CB 3.95Å; L82-D797 HydrophobicContact CD2-CB 4.28Å; L82-D797 HydrophobicContact CG-CB 4.02Å; H785-D797 WeakPolarHBondContact CB-OD1 3.32Å; H785-D797 IonicContact CE1-OD2 3.56Å; H785-D797 IonicContact CG-OD1 3.11Å; H785-D797 IonicContact CG-OD2 3.82Å; H785-D797 IonicContact ND1-OD1 2.7Å; H785-D797 IonicContact ND1-OD2 2.68Å; H785-D797 PolarHBondContact ND1-OD2 3.37Å; T786-D797 PolarHBondContact N-OD1 3.12Å; L787-D797 HydrophobicContact CD2-CB 3.73Å
798	Y	75.9	Confident	61.2	Low	3 Å²	3	34.3 Å²	34.3	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	97.9	172.2	-73.5	-109.8	0	0	0	108.8	P79 M714 M737 L739 T786 L788 F796	P79-Y798 HydrophobicContact CB-CD1 4.41Å; P79-Y798 HydrophobicContact CB-CD2 3.85Å; P79-Y798 HydrophobicContact CB-CE1 4.1Å; P79-Y798 HydrophobicContact CB-CE2 3.44Å; P79-Y798 VanDerWaalsContact CB-CE2 3.44Å; P79-Y798 HydrophobicContact CB-CG 4.3Å; P79-Y798 HydrophobicContact CG-CE1 4.15Å; P79-Y798 HydrophobicContact CG-CE2 4.07Å; M714-Y798 HydrophobicContact CB-CD1 4.25Å; M714-Y798 HydrophobicContact CB-CE1 3.77Å; M714-Y798 HydrophobicContact CE-CD1 4.36Å; M714-Y798 HydrophobicContact CE-CG 4.25Å; M714-Y798 HydrophobicContact CG-CD1 4.08Å; M714-Y798 HydrophobicContact CG-CE1 4.09Å; M714-Y798 HydrophobicContact CG-CG 4.33Å; M714-Y798 HydrophobicContact SD-CD1 3.7Å; M714-Y798 HydrophobicContact SD-CE1 4.16Å; M714-Y798 HydrophobicContact SD-CG 4.14Å; M737-Y798 HydrophobicContact CB-CD1 4.49Å; M737-Y798 HydrophobicContact CB-CE1 3.93Å; M737-Y798 WeakPolarHBondContact O-CE1 3.46Å; M737-Y798 PolarHBondContact O-OH 3.28Å; L739-Y798 HydrophobicContact CD2-CE2 4.38Å; T786-Y798 PolarHBondContact N-O 3.2Å; T786-Y798 PolarHBondContact O-N 2.99Å; L788-Y798 HydrophobicContact CB-CE2 4.48Å; L788-Y798 HydrophobicContact CD1-CD2 4.04Å; L788-Y798 HydrophobicContact CD1-CE2 3.26Å; L788-Y798 HydrophobicContact CG-CD2 4.01Å; L788-Y798 HydrophobicContact CG-CE2 3.7Å; F796-Y798 HydrophobicContact CB-CE2 4.44Å
799	C	74	Confident	59.9	Low	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119	177	-172.1	0	0	0	0	111.5	F76 F784	F76-C799 HydrophobicContact CD2-CB 4.23Å; F76-C799 PolarHBondContact N-O 2.83Å; F784-C799 WeakPolarHBondContact O-CA 3.34Å
800	A	70.9	Confident	59.2	Low	6 Å²	6	42.6 Å²	42.6	5%	0.05	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.3	169.8	0	0	0	0	0	110.7	Q74 Y75 L734 Q783 F784	Q74-A800 CarbonylContact O-C 3.56Å; Q74-A800 WeakPolarHBondContact O-CA 3.41Å; Q74-A800 WeakPolarHBondContact O-CB 3.47Å; Y75-A800 HydrophobicContact CD1-CB 3.81Å; Y75-A800 HydrophobicContact CE1-CB 4.04Å; L734-A800 HydrophobicContact CD1-CB 3.96Å; Q783-A800 CarbonylContact C-O 3.58Å; Q783-A800 WeakPolarHBondContact CA-O 3.33Å; F784-A800 PolarHBondContact N-O 2.87Å; F784-A800 PolarHBondContact O-N 3.09Å
801	Y	68.5	Low	58.8	Low	27 Å²	27	45.1 Å²	45.1	11%	0.106	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.8	179.6	58.7	-76	0	0	0	112.4	L73 Q74 F76 T803	L73-Y801 WeakPolarHBondContact CA-O 3.44Å; Q74-Y801 HydrophobicContact CB-CD1 4.28Å; Q74-Y801 HydrophobicContact CB-CE1 3.69Å; Q74-Y801 HydrophobicContact CB-CE2 4.18Å; Q74-Y801 PolarHBondContact N-O 3.31Å; Q74-Y801 VanDerWaalsContact N-O 3.11Å; Q74-Y801 WeakPolarHBondContact O-CD1 3.41Å; Q74-Y801 PolarHBondContact O-N 3.09Å; Q74-Y801 PolarHBondContact OE1-OH 2.96Å; F76-Y801 AromaticContact CD1-CD1 3.57Å; F76-Y801 HydrophobicContact CD1-CD1 3.57Å; F76-Y801 AromaticContact CD1-CE1 3.5Å; F76-Y801 HydrophobicContact CD1-CE1 3.5Å; F76-Y801 VanDerWaalsContact CD1-CE1 3.5Å; F76-Y801 HydrophobicContact CD1-CG 4.39Å; F76-Y801 AromaticContact CD2-CD1 3.58Å; F76-Y801 HydrophobicContact CD2-CD1 3.58Å; F76-Y801 HydrophobicContact CD2-CE1 4.23Å; F76-Y801 HydrophobicContact CD2-CG 4.38Å; F76-Y801 AromaticContact CE1-CD1 3.45Å; F76-Y801 HydrophobicContact CE1-CD1 3.45Å; F76-Y801 VanDerWaalsContact CE1-CD1 3.45Å; F76-Y801 HydrophobicContact CE1-CD2 4.32Å; F76-Y801 AromaticContact CE1-CE1 3.67Å; F76-Y801 HydrophobicContact CE1-CE1 3.67Å; F76-Y801 HydrophobicContact CE1-CE2 4.5Å; F76-Y801 AromaticContact CE1-CG 3.81Å; F76-Y801 HydrophobicContact CE1-CG 3.81Å; F76-Y801 AromaticContact CE2-CD1 3.46Å; F76-Y801 HydrophobicContact CE2-CD1 3.46Å; F76-Y801 VanDerWaalsContact CE2-CD1 3.46Å; F76-Y801 HydrophobicContact CE2-CE1 4.38Å; F76-Y801 AromaticContact CE2-CG 3.8Å; F76-Y801 HydrophobicContact CE2-CG 3.8Å; F76-Y801 AromaticContact CG-CD1 3.63Å; F76-Y801 HydrophobicContact CG-CD1 3.63Å; F76-Y801 AromaticContact CG-CE1 3.8Å; F76-Y801 HydrophobicContact CG-CE1 3.8Å; F76-Y801 VanDerWaalsContact CZ-CB 3.5Å; F76-Y801 AromaticContact CZ-CD1 3.39Å; F76-Y801 HydrophobicContact CZ-CD1 3.39Å; F76-Y801 HydrophobicContact CZ-CD2 4.27Å; F76-Y801 HydrophobicContact CZ-CE1 4.12Å; F76-Y801 AromaticContact CZ-CG 3.48Å; F76-Y801 HydrophobicContact CZ-CG 3.48Å; F76-Y801 VanDerWaalsContact CZ-CG 3.48Å; Y801-T803 HydrophobicContact CD2-CG2 3.68Å; Y801-T803 HydrophobicContact CE2-CG2 3.44Å; Y801-T803 VanDerWaalsContact CE2-CG2 3.44Å
802	L	68.2	Low	58.7	Low	6 Å²	6	51.1 Å²	51.1	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	103.5	170.7	-164.7	93.9	0	0	0	110.7	L69 K72 L73 H697 I699 N782 F784 S804	L69-L802 HydrophobicContact CD2-CD1 3.55Å; K72-L802 HydrophobicContact CB-CD1 4.12Å; K72-L802 HydrophobicContact CB-CG 4.45Å; L73-L802 HydrophobicContact CD1-CD1 4.37Å; H697-L802 HydrophobicContact CB-CD2 3.89Å; I699-L802 HydrophobicContact CD1-CD2 3.9Å; I699-L802 HydrophobicContact CG1-CD1 4.25Å; I699-L802 HydrophobicContact CG1-CD2 3.53Å; I699-L802 HydrophobicContact CG1-CG 4.49Å; N782-L802 HydrophobicContact CB-CB 3.88Å; N782-L802 PolarHBondContact O-N 2.93Å; F784-L802 HydrophobicContact CE2-CB 4.06Å; F784-L802 HydrophobicContact CE2-CD1 4.43Å; L802-S804 PolarHBondContact O-N 3.46Å
803	T	63.2	Low	58.6	Low	16 Å²	16	52.1 Å²	52.1	10%	0.098	29%	0.289	C	S	.	.			trans	-67.9	124.1	165.2	60.4	0	0	0	0	109.4	G71 K72 Y801 I807	G71-T803 PolarHBondContact O-OG1 3.48Å; K72-T803 WeakPolarHBondContact CA-OG1 3.43Å; K72-T803 PolarHBondContact O-N 3.11Å; K72-T803 PolarHBondContact O-OG1 3.29Å; Y801-T803 HydrophobicContact CD2-CG2 3.68Å; Y801-T803 HydrophobicContact CE2-CG2 3.44Å; Y801-T803 VanDerWaalsContact CE2-CG2 3.44Å; T803-I807 HydrophobicContact CG2-CG1 4.33Å
804	S	54.2	Low	58.7	Low	69 Å²	69	53.3 Å²	53.3	48%	0.483	30%	0.296	S	S	.	.	S	Bend	trans	-86.7	-36.4	-175.1	55.5	0	0	0	0	113	L802	L802-S804 PolarHBondContact O-N 3.46Å
805	N	50.2	Low	58.3	Low	159 Å²	159	54.7 Å²	54.7	85%	0.85	30%	0.304	S	S	*	.	S	Bend	trans	-151.4	68.4	177.5	-83	-60.4	0	0	0	112
806	G	46.5	Very low	57.9	Low	50 Å²	50	58.9 Å²	58.9	52%	0.515	32%	0.323	S	S	.	.	S	Bend	trans	75.5	176.1	-177.2	0	0	0	0	0	113.3
807	I	43.4	Very low	57.2	Low	77 Å²	77	61.3 Å²	61.3	40%	0.395	34%	0.34	S	S	.	.			trans	-88.3	108	174.8	-55	171	0	0	0	107.4	T803 D811 Y812	T803-I807 HydrophobicContact CG2-CG1 4.33Å; I807-D811 HydrophobicContact CG2-CB 4.39Å; I807-Y812 HydrophobicContact CB-CE2 4.41Å; I807-Y812 HydrophobicContact CG2-CD2 3.6Å; I807-Y812 HydrophobicContact CG2-CE2 3.54Å
808	N	45.9	Very low	56.5	Low	105 Å²	105	61.8 Å²	61.8	56%	0.561	34%	0.341	S	S	*	.			trans	-74.8	150.9	171.5	-141.6	10	0	0	0	108.9	D810 D811	N808-D810 PolarHBondContact O-N 3.15Å; N808-D810 VanDerWaalsContact O-N 3.12Å; N808-D811 WeakPolarHBondContact O-CB 3.43Å; N808-D811 PolarHBondContact O-N 3.07Å
809	T	43.3	Very low	55.8	Low	102 Å²	102	64.5 Å²	64.5	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-56.8	-33.9	-177.3	42.7	0	0	0	0	112.8	D811 Y812	T809-D811 PolarHBondContact O-N 2.84Å; T809-Y812 WeakPolarHBondContact O-CB 3.29Å; T809-Y812 PolarHBondContact O-N 3.08Å
810	D	48.1	Very low	55.3	Low	105 Å²	105	68 Å²	68	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-77.5	-8.2	-175.6	-46.7	-1.8	0	0	0	112.3	N808	N808-D810 PolarHBondContact O-N 3.15Å; N808-D810 VanDerWaalsContact O-N 3.12Å
811	D	51.8	Low	55	Low	54 Å²	54	71.8 Å²	71.8	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-82.8	-28.2	166.7	-76.1	-49.7	0	0	0	112.1	K781 I807 N808 T809 D813 V814 V815	K781-D811 IonicContact NZ-OD1 2.64Å; K781-D811 PolarHBondContact NZ-OD1 3.42Å; I807-D811 HydrophobicContact CG2-CB 4.39Å; N808-D811 WeakPolarHBondContact O-CB 3.43Å; N808-D811 PolarHBondContact O-N 3.07Å; T809-D811 PolarHBondContact O-N 2.84Å; D811-D813 PolarHBondContact O-N 2.83Å; D811-V814 PolarHBondContact O-N 3.14Å; D811-V814 VanDerWaalsContact O-N 3.15Å; D811-V815 VanDerWaalsContact O-CG2 3.27Å; D811-V815 WeakPolarHBondContact O-CG2 3.47Å; D811-V815 PolarHBondContact O-N 2.68Å
812	Y	50.4	Low	54.7	Low	141 Å²	141	70.6 Å²	70.6	55%	0.553	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-44.7	177.6	-98.1	-83	0	0	0	111.9	I807 T809 V814 V815 E816	I807-Y812 HydrophobicContact CB-CE2 4.41Å; I807-Y812 HydrophobicContact CG2-CD2 3.6Å; I807-Y812 HydrophobicContact CG2-CE2 3.54Å; T809-Y812 WeakPolarHBondContact O-CB 3.29Å; T809-Y812 PolarHBondContact O-N 3.08Å; Y812-V814 PolarHBondContact O-N 2.9Å; Y812-V815 PolarHBondContact O-N 3.08Å; Y812-E816 WeakPolarHBondContact O-CB 3.19Å; Y812-E816 PolarHBondContact O-N 3Å
813	D	50.6	Low	54.6	Low	120 Å²	120	73.5 Å²	73.5	64%	0.642	40%	0.399	S	S	*	.	H	α-helix	trans	-58.6	-34.5	176.2	-75.5	-0.6	0	0	0	112.2	D811 S817	D811-D813 PolarHBondContact O-N 2.83Å; D813-S817 VanDerWaalsContact O-CB 3.23Å; D813-S817 WeakPolarHBondContact O-CB 3.38Å; D813-S817 PolarHBondContact O-N 3.38Å; D813-S817 PolarHBondContact O-OG 3.47Å
814	V	54.5	Low	54.7	Low	27 Å²	27	76.2 Å²	76.2	16%	0.164	42%	0.416	C	S	.	.	H	α-helix	trans	-79.6	-41.4	178.2	-179.6	0	0	0	0	111.2	K781 D811 Y812 S817 Y818	K781-V814 HydrophobicContact CD-CG1 4.16Å; K781-V814 VanDerWaalsContact NZ-CG2 3.32Å; D811-V814 PolarHBondContact O-N 3.14Å; D811-V814 VanDerWaalsContact O-N 3.15Å; Y812-V814 PolarHBondContact O-N 2.9Å; V814-S817 WeakPolarHBondContact CA-OG 3.34Å; V814-S817 PolarHBondContact O-OG 3.08Å; V814-Y818 WeakPolarHBondContact O-CB 3.42Å; V814-Y818 PolarHBondContact O-N 3Å
815	V	54.4	Low	55.2	Low	30 Å²	30	75.8 Å²	75.8	18%	0.182	41%	0.407	C	S	.	.	H	α-helix	trans	-56.7	-50.2	171.5	170.5	0	0	0	0	110.3	F76 D811 Y812 Y818 H819	F76-V815 HydrophobicContact CD1-CB 4.34Å; F76-V815 HydrophobicContact CD1-CG1 4.36Å; F76-V815 HydrophobicContact CD1-CG2 3.87Å; F76-V815 HydrophobicContact CE1-CG2 3.71Å; D811-V815 VanDerWaalsContact O-CG2 3.27Å; D811-V815 WeakPolarHBondContact O-CG2 3.47Å; D811-V815 PolarHBondContact O-N 2.68Å; Y812-V815 PolarHBondContact O-N 3.08Å; V815-Y818 PolarHBondContact O-N 3.02Å; V815-H819 VanDerWaalsContact O-CB 3.22Å; V815-H819 WeakPolarHBondContact O-CB 3.49Å; V815-H819 PolarHBondContact O-N 3.11Å
816	E	56.6	Low	55.9	Low	122 Å²	122	68.2 Å²	68.2	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-69.6	-41.9	-176.5	-174.1	164.2	-162.1	0	0	111.8	Y812 Y818 H819 V820	Y812-E816 WeakPolarHBondContact O-CB 3.19Å; Y812-E816 PolarHBondContact O-N 3Å; E816-Y818 PolarHBondContact O-N 2.78Å; E816-H819 PolarHBondContact O-N 3.03Å; E816-V820 HydrophobicContact CG-CG2 4.4Å; E816-V820 WeakPolarHBondContact O-CB 3.34Å; E816-V820 WeakPolarHBondContact O-CG2 3.24Å; E816-V820 PolarHBondContact O-N 2.85Å
817	S	58	Low	56.8	Low	53 Å²	53	68.9 Å²	68.9	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-35.7	175	59.6	0	0	0	0	113.1	D813 V814 K821	D813-S817 VanDerWaalsContact O-CB 3.23Å; D813-S817 WeakPolarHBondContact O-CB 3.38Å; D813-S817 PolarHBondContact O-N 3.38Å; D813-S817 PolarHBondContact O-OG 3.47Å; V814-S817 WeakPolarHBondContact CA-OG 3.34Å; V814-S817 PolarHBondContact O-OG 3.08Å; S817-K821 WeakPolarHBondContact O-CB 3.49Å; S817-K821 WeakPolarHBondContact O-CD 3.23Å; S817-K821 WeakPolarHBondContact O-CG 3.4Å; S817-K821 PolarHBondContact O-N 2.85Å
818	Y	57.9	Low	57.8	Low	26 Å²	26	69.3 Å²	69.3	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-66.4	-42.1	170.2	-125.2	-91.5	0	0	0	111.5	H77 V814 V815 E816 K821 S822 I870	H77-Y818 AromaticContact CD2-CD1 3.89Å; H77-Y818 AromaticContact NE2-CD1 3.64Å; H77-Y818 AromaticContact NE2-CE1 3.9Å; V814-Y818 WeakPolarHBondContact O-CB 3.42Å; V814-Y818 PolarHBondContact O-N 3Å; V815-Y818 PolarHBondContact O-N 3.02Å; E816-Y818 PolarHBondContact O-N 2.78Å; Y818-K821 PolarHBondContact O-N 2.64Å; Y818-S822 WeakPolarHBondContact O-CB 3.34Å; Y818-S822 PolarHBondContact O-N 2.89Å; Y818-S822 PolarHBondContact O-OG 3.04Å; Y818-I870 HydrophobicContact CE1-CG2 4.21Å; Y818-I870 HydrophobicContact CE2-CG2 4.05Å; Y818-I870 WeakPolarHBondContact CE2-O 3.45Å; Y818-I870 WeakPolarHBondContact OH-CG2 3.22Å
819	H	61.8	Low	58.7	Low	60 Å²	60	64.6 Å²	64.6	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-46.9	177.9	179.8	-100.4	0	0	0	111.3	V815 E816 K821 S822 Q823	V815-H819 VanDerWaalsContact O-CB 3.22Å; V815-H819 WeakPolarHBondContact O-CB 3.49Å; V815-H819 PolarHBondContact O-N 3.11Å; E816-H819 PolarHBondContact O-N 3.03Å; H819-K821 PolarHBondContact O-N 3.07Å; H819-S822 WeakPolarHBondContact CA-OG 3.11Å; H819-S822 PolarHBondContact O-N 3.33Å; H819-S822 PolarHBondContact O-OG 2.79Å; H819-Q823 PolarHBondContact CE1-NE2 3.17Å; H819-Q823 WeakPolarHBondContact O-CG 3.11Å; H819-Q823 PolarHBondContact O-N 3.34Å
820	V	63.1	Low	59.7	Low	74 Å²	74	60 Å²	60	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-41.1	174.8	171.1	0	0	0	0	111.9	E816 T824	E816-V820 HydrophobicContact CG-CG2 4.4Å; E816-V820 WeakPolarHBondContact O-CB 3.34Å; E816-V820 WeakPolarHBondContact O-CG2 3.24Å; E816-V820 PolarHBondContact O-N 2.85Å; V820-T824 WeakPolarHBondContact O-CB 3.32Å; V820-T824 PolarHBondContact O-N 3.11Å; V820-T824 PolarHBondContact O-OG1 3.31Å
821	K	63.8	Low	60.4	Low	84 Å²	84	58 Å²	58	37%	0.365	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-47.1	171.8	-75.9	168.9	178.3	177.4	0	111.1	S817 Y818 H819 T824 I825 E873	S817-K821 WeakPolarHBondContact O-CB 3.49Å; S817-K821 WeakPolarHBondContact O-CD 3.23Å; S817-K821 WeakPolarHBondContact O-CG 3.4Å; S817-K821 PolarHBondContact O-N 2.85Å; Y818-K821 PolarHBondContact O-N 2.64Å; H819-K821 PolarHBondContact O-N 3.07Å; K821-T824 WeakPolarHBondContact O-CB 3.27Å; K821-T824 PolarHBondContact O-N 3.44Å; K821-I825 WeakPolarHBondContact O-CG1 3.49Å; K821-I825 PolarHBondContact O-N 3.19Å; K821-E873 IonicContact NZ-OE2 3.92Å; K821-E873 PolarHBondContact NZ-OE2 3.3Å
822	S	63.7	Low	60.6	Low	3 Å²	3	59.3 Å²	59.3	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-47.3	179	76.9	0	0	0	0	112.3	H77 Y818 H819 T824 I825 I826	H77-S822 WeakPolarHBondContact CB-OG 3.21Å; Y818-S822 WeakPolarHBondContact O-CB 3.34Å; Y818-S822 PolarHBondContact O-N 2.89Å; Y818-S822 PolarHBondContact O-OG 3.04Å; H819-S822 WeakPolarHBondContact CA-OG 3.11Å; H819-S822 PolarHBondContact O-N 3.33Å; H819-S822 PolarHBondContact O-OG 2.79Å; S822-T824 VanDerWaalsContact C-N 3.29Å; S822-T824 PolarHBondContact O-N 3.33Å; S822-I825 PolarHBondContact O-N 3.17Å; S822-I825 VanDerWaalsContact O-N 3.17Å; S822-I826 WeakPolarHBondContact O-CD1 3.45Å; S822-I826 VanDerWaalsContact O-CG1 3.26Å; S822-I826 WeakPolarHBondContact O-CG1 3.38Å; S822-I826 PolarHBondContact O-N 3.36Å
823	Q	65.6	Low	60.8	Low	66 Å²	66	54.2 Å²	54.2	31%	0.308	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-37.4	176.4	-74.2	-169.2	-33.8	0	0	111.8	H819 T827	H819-Q823 PolarHBondContact CE1-NE2 3.17Å; H819-Q823 WeakPolarHBondContact O-CG 3.11Å; H819-Q823 PolarHBondContact O-N 3.34Å; Q823-T827 VanDerWaalsContact O-CB 3.22Å; Q823-T827 WeakPolarHBondContact O-CB 3.37Å; Q823-T827 PolarHBondContact O-N 3.05Å; Q823-T827 PolarHBondContact O-OG1 3.31Å
824	T	64.9	Low	60.5	Low	73 Å²	73	50.3 Å²	50.3	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-44.6	174.9	-56.1	0	0	0	0	111.2	V820 K821 S822 T827 N828	V820-T824 WeakPolarHBondContact O-CB 3.32Å; V820-T824 PolarHBondContact O-N 3.11Å; V820-T824 PolarHBondContact O-OG1 3.31Å; K821-T824 WeakPolarHBondContact O-CB 3.27Å; K821-T824 PolarHBondContact O-N 3.44Å; S822-T824 VanDerWaalsContact C-N 3.29Å; S822-T824 PolarHBondContact O-N 3.33Å; T824-T827 PolarHBondContact O-N 3.49Å; T824-N828 WeakPolarHBondContact O-CB 3.46Å; T824-N828 PolarHBondContact O-N 2.88Å; T824-N828 PolarHBondContact O-ND2 3.21Å
825	I	63.9	Low	59.7	Low	60 Å²	60	54.7 Å²	54.7	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-47.4	177.5	-65.3	161.9	0	0	0	111.1	V80 P81 K821 S822 T827 N828 W829	V80-I825 HydrophobicContact CG1-CB 4.39Å; V80-I825 HydrophobicContact CG1-CD1 4.09Å; V80-I825 HydrophobicContact CG1-CG2 3.88Å; P81-I825 HydrophobicContact CG-CG2 4.21Å; P81-I825 WeakPolarHBondContact O-CG2 3.42Å; K821-I825 WeakPolarHBondContact O-CG1 3.49Å; K821-I825 PolarHBondContact O-N 3.19Å; S822-I825 PolarHBondContact O-N 3.17Å; S822-I825 VanDerWaalsContact O-N 3.17Å; I825-T827 VanDerWaalsContact C-N 3.35Å; I825-T827 PolarHBondContact O-N 3.31Å; I825-N828 PolarHBondContact O-N 2.86Å; I825-W829 WeakPolarHBondContact O-CB 3.42Å; I825-W829 PolarHBondContact O-N 3.16Å
826	I	66.4	Low	58.6	Low	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-41.2	178.4	-63.2	160.8	0	0	0	110.8	N78 L742 L746 S822 W829 L830	N78-I826 HydrophobicContact CB-CD1 4.3Å; L742-I826 HydrophobicContact CD2-CD1 3.66Å; L742-I826 HydrophobicContact CD2-CG1 3.97Å; L742-I826 HydrophobicContact CD2-CG2 4.02Å; L746-I826 HydrophobicContact CD1-CG2 4.11Å; S822-I826 WeakPolarHBondContact O-CD1 3.45Å; S822-I826 VanDerWaalsContact O-CG1 3.26Å; S822-I826 WeakPolarHBondContact O-CG1 3.38Å; S822-I826 PolarHBondContact O-N 3.36Å; I826-W829 PolarHBondContact O-N 2.84Å; I826-L830 HydrophobicContact CG2-CD1 4.07Å; I826-L830 WeakPolarHBondContact O-CB 3.37Å; I826-L830 WeakPolarHBondContact O-CG 3.35Å; I826-L830 PolarHBondContact O-N 3.42Å
827	T	64.6	Low	57.3	Low	63 Å²	63	61.3 Å²	61.3	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.9	-57.8	0	0	0	0	111.4	Q823 T824 I825 S831	Q823-T827 VanDerWaalsContact O-CB 3.22Å; Q823-T827 WeakPolarHBondContact O-CB 3.37Å; Q823-T827 PolarHBondContact O-N 3.05Å; Q823-T827 PolarHBondContact O-OG1 3.31Å; T824-T827 PolarHBondContact O-N 3.49Å; I825-T827 VanDerWaalsContact C-N 3.35Å; I825-T827 PolarHBondContact O-N 3.31Å; T827-S831 VanDerWaalsContact O-CB 3.29Å; T827-S831 WeakPolarHBondContact O-CB 3.4Å; T827-S831 PolarHBondContact O-N 3.48Å
828	N	64.4	Low	55.9	Low	86 Å²	86	65.7 Å²	65.7	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-51.1	175.6	-71.6	-21.6	0	0	0	110.8	T824 I825 L830 S831 E832	T824-N828 WeakPolarHBondContact O-CB 3.46Å; T824-N828 PolarHBondContact O-N 2.88Å; T824-N828 PolarHBondContact O-ND2 3.21Å; I825-N828 PolarHBondContact O-N 2.86Å; N828-L830 PolarHBondContact O-N 3.05Å; N828-S831 WeakPolarHBondContact O-CA 3.43Å; N828-S831 WeakPolarHBondContact O-CB 3.4Å; N828-S831 PolarHBondContact O-N 2.87Å; N828-S831 PolarHBondContact O-OG 3.47Å; N828-E832 WeakPolarHBondContact O-CG 3.48Å; N828-E832 PolarHBondContact O-N 3.03Å
829	W	65.5	Low	54.5	Low	7 Å²	7	72 Å²	72	3%	0.027	39%	0.389	C	S	.	.	H	α-helix	trans	-56.2	-46.3	178.1	-178.1	85.8	0	0	0	112.3	P81 L761 L765 F796 I825 I826 S831 E832 L833	P81-W829 HydrophobicContact CB-CB 4.43Å; P81-W829 HydrophobicContact CB-CD2 4.13Å; P81-W829 HydrophobicContact CB-CG 3.85Å; P81-W829 HydrophobicContact CG-CB 3.71Å; P81-W829 HydrophobicContact CG-CD2 3.98Å; P81-W829 HydrophobicContact CG-CE3 4.5Å; P81-W829 HydrophobicContact CG-CG 3.59Å; L761-W829 HydrophobicContact CD1-CH2 4.15Å; L761-W829 HydrophobicContact CD1-CZ3 4.02Å; L765-W829 HydrophobicContact CD2-CH2 3.79Å; L765-W829 HydrophobicContact CD2-CZ3 4.14Å; L765-W829 HydrophobicContact CG-CH2 4.46Å; F796-W829 HydrophobicContact CE1-CH2 4.43Å; F796-W829 HydrophobicContact CE1-CZ2 4.35Å; F796-W829 HydrophobicContact CZ-CH2 4.07Å; F796-W829 AromaticContact CZ-CZ2 3.85Å; F796-W829 HydrophobicContact CZ-CZ2 3.85Å; I825-W829 WeakPolarHBondContact O-CB 3.42Å; I825-W829 PolarHBondContact O-N 3.16Å; I826-W829 PolarHBondContact O-N 2.84Å; W829-S831 PolarHBondContact O-N 3.39Å; W829-E832 PolarHBondContact O-N 2.84Å; W829-L833 HydrophobicContact CD2-CD1 4.09Å; W829-L833 HydrophobicContact CE3-CD1 4.06Å; W829-L833 HydrophobicContact CH2-CD1 3.77Å; W829-L833 HydrophobicContact CZ2-CD1 3.81Å; W829-L833 HydrophobicContact CZ3-CD1 3.91Å; W829-L833 WeakPolarHBondContact O-CG 3.29Å; W829-L833 PolarHBondContact O-N 2.81Å
830	L	64.5	Low	53	Low	6 Å²	6	76.1 Å²	76.1	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-65.8	-35.6	174.5	-72.3	172.2	0	0	0	112.8	L746 L751 L761 I826 N828 L833 S834	L746-L830 HydrophobicContact CD1-CD1 3.29Å; L751-L830 HydrophobicContact CD1-CD1 4.11Å; L751-L830 HydrophobicContact CD2-CD1 4.41Å; L761-L830 HydrophobicContact CD1-CD2 3.64Å; L761-L830 HydrophobicContact CD2-CD2 3.97Å; L761-L830 HydrophobicContact CG-CD2 4.49Å; I826-L830 HydrophobicContact CG2-CD1 4.07Å; I826-L830 WeakPolarHBondContact O-CB 3.37Å; I826-L830 WeakPolarHBondContact O-CG 3.35Å; I826-L830 PolarHBondContact O-N 3.42Å; N828-L830 PolarHBondContact O-N 3.05Å; L830-L833 PolarHBondContact O-N 3.24Å; L830-S834 PolarHBondContact O-N 3.01Å
831	S	61.4	Low	51.4	Low	61 Å²	61	81.5 Å²	81.5	43%	0.427	43%	0.426	S	S	.	.	H	α-helix	trans	-67.7	-35.3	177.3	81.6	0	0	0	0	112.4	T827 N828 W829 L833 S834	T827-S831 VanDerWaalsContact O-CB 3.29Å; T827-S831 WeakPolarHBondContact O-CB 3.4Å; T827-S831 PolarHBondContact O-N 3.48Å; N828-S831 WeakPolarHBondContact O-CA 3.43Å; N828-S831 WeakPolarHBondContact O-CB 3.4Å; N828-S831 PolarHBondContact O-N 2.87Å; N828-S831 PolarHBondContact O-OG 3.47Å; W829-S831 PolarHBondContact O-N 3.39Å; S831-L833 VanDerWaalsContact C-N 3.33Å; S831-S834 WeakPolarHBondContact CA-OG 3.48Å; S831-S834 WeakPolarHBondContact O-CA 3.48Å; S831-S834 WeakPolarHBondContact O-CB 3.34Å; S831-S834 PolarHBondContact O-N 3.31Å; S831-S834 PolarHBondContact O-OG 3.17Å
832	E	56.3	Low	49.7	Very low	82 Å²	82	86.2 Å²	86.2	38%	0.383	45%	0.449	S	S	.	.	H	α-helix	trans	-70.3	-29.6	176	-70.6	177	159.6	0	0	112.1	H86 N828 W829 S834	H86-E832 IonicContact CE1-OE2 2.83Å; H86-E832 PolarHBondContact CE1-OE2 2.7Å; N828-E832 WeakPolarHBondContact O-CG 3.48Å; N828-E832 PolarHBondContact O-N 3.03Å; W829-E832 PolarHBondContact O-N 2.84Å; E832-S834 VanDerWaalsContact C-N 3.26Å
833	L	54.3	Low	48.1	Very low	35 Å²	35	93.8 Å²	93.8	18%	0.183	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.4	168.5	-64.8	172.8	0	0	0	113.1	N758 L761 W829 L830 S831 C835	N758-L833 PolarHBondContact ND2-O 3.17Å; L761-L833 HydrophobicContact CD1-CD1 3.76Å; W829-L833 HydrophobicContact CD2-CD1 4.09Å; W829-L833 HydrophobicContact CE3-CD1 4.06Å; W829-L833 HydrophobicContact CH2-CD1 3.77Å; W829-L833 HydrophobicContact CZ2-CD1 3.81Å; W829-L833 HydrophobicContact CZ3-CD1 3.91Å; W829-L833 WeakPolarHBondContact O-CG 3.29Å; W829-L833 PolarHBondContact O-N 2.81Å; L830-L833 PolarHBondContact O-N 3.24Å; S831-L833 VanDerWaalsContact C-N 3.33Å; L833-C835 PolarHBondContact O-N 3.23Å
834	S	45.6	Very low	46.5	Very low	37 Å²	37	99 Å²	99	26%	0.259	51%	0.511	S	S	.	.			trans	-92.1	78.5	-176.2	79.8	0	0	0	0	113.5	L830 S831 E832 K836	L830-S834 PolarHBondContact O-N 3.01Å; S831-S834 WeakPolarHBondContact CA-OG 3.48Å; S831-S834 WeakPolarHBondContact O-CA 3.48Å; S831-S834 WeakPolarHBondContact O-CB 3.34Å; S831-S834 PolarHBondContact O-N 3.31Å; S831-S834 PolarHBondContact O-OG 3.17Å; E832-S834 VanDerWaalsContact C-N 3.26Å; S834-K836 VanDerWaalsContact C-N 3.27Å; S834-K836 PolarHBondContact O-N 3.09Å
835	C	36.5	Very low	44.8	Very low	119 Å²	119	103.3 Å²	103.3	80%	0.804	53%	0.532	S	S	*	.			trans	-67.3	82	168.1	-62.7	0	0	0	0	111.3	L833 P837	L833-C835 PolarHBondContact O-N 3.23Å; C835-P837 WeakPolarHBondContact O-CD 3.17Å
836	K	32.3	Very low	43.3	Very low	181 Å²	181	105.8 Å²	105.8	79%	0.787	55%	0.554	S	S	*	*			trans	-62.9	125.1	171.7	-69.9	-172.2	177.3	-175.5	0	110.2	S834	S834-K836 VanDerWaalsContact C-N 3.27Å; S834-K836 PolarHBondContact O-N 3.09Å
837	P	28.7	Very low	41.4	Very low	110 Å²	110	115.3 Å²	115.3	71%	0.714	60%	0.599	S	S	*	*			trans	-67.5	132.9	165.3	28.5	-32.3	0	0	0	109.4	C835 N839	C835-P837 WeakPolarHBondContact O-CD 3.17Å; P837-N839 PolarHBondContact O-N 2.92Å; P837-N839 VanDerWaalsContact O-N 3.1Å
838	E	29.3	Very low	39.6	Very low	146 Å²	146	119.9 Å²	119.9	68%	0.682	62%	0.615	S	S	*	*			trans	-66.4	108.4	170.5	-70.2	-173	123.5	0	0	108.8	K840 K854	E838-K840 PolarHBondContact O-N 3.38Å; E838-K854 IonicContact OE1-NZ 3.05Å; E838-K854 IonicContact OE2-NZ 3.75Å; E838-K854 PolarHBondContact OE2-NZ 3.3Å
839	N	28.5	Very low	37.8	Very low	157 Å²	157	122.2 Å²	122.2	84%	0.84	63%	0.628	S	S	*	*			trans	-61.5	96	172.7	-84.1	-20.7	0	0	0	110.1	P837 Q841	P837-N839 PolarHBondContact O-N 2.92Å; P837-N839 VanDerWaalsContact O-N 3.1Å; N839-Q841 PolarHBondContact O-N 3.37Å
840	K	29.5	Very low	35.9	Very low	148 Å²	148	126.1 Å²	126.1	64%	0.643	66%	0.662	S	S	*	*			trans	-66.7	118	170.3	-77.1	-166.3	170.6	-167.8	0	110	E838	E838-K840 PolarHBondContact O-N 3.38Å
841	Q	29.6	Very low	34.1	Very low	187 Å²	187	135.1 Å²	135.1	87%	0.874	70%	0.701	S	S	*	*			trans	-61.9	137.4	159.3	-69.7	178.9	-60.8	0	0	109	N839 D843	N839-Q841 PolarHBondContact O-N 3.37Å; Q841-D843 PolarHBondContact O-N 3.11Å; Q841-D843 VanDerWaalsContact O-N 3.07Å
842	H	27.2	Very low	32.4	Very low	182 Å²	182	137.4 Å²	137.4	84%	0.843	71%	0.708	S	S	*	*			trans	-76.9	88.6	178.3	-91.7	-79.9	0	0	0	110.9
843	D	31.5	Very low	30.9	Very low	162 Å²	162	139.5 Å²	139.5	87%	0.866	73%	0.73	S	S	*	*			trans	-78.3	135	150.8	-92.5	-42.8	0	0	0	109.7	Q841	Q841-D843 PolarHBondContact O-N 3.11Å; Q841-D843 VanDerWaalsContact O-N 3.07Å
844	K	30.5	Very low	29.6	Very low	176 Å²	176	145.4 Å²	145.4	77%	0.765	75%	0.754	S	S	*	*			trans	-94.3	160.5	178.4	-62.9	176.4	-178.4	176.5	0	109.4
845	N	29.6	Very low	28.6	Very low	164 Å²	164	151.9 Å²	151.9	88%	0.877	78%	0.778	S	S	*	*			trans	88.6	62.7	171.5	-44.3	-21.1	0	0	0	117.2
846	S	32.7	Very low	28.1	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	77%	0.772	S	S	*	*			trans	-160.2	116.9	133.4	51	0	0	0	0	111.7	E848	S846-E848 PolarHBondContact O-N 3.44Å
847	E	27.5	Very low	27.7	Very low	202 Å²	202	150.8 Å²	150.8	94%	0.944	77%	0.774	S	S	*	*			trans	-85	79	170.2	-69.6	-174.8	126.3	0	0	109.8
848	E	26.8	Very low	27.6	Very low	158 Å²	158	150.9 Å²	150.9	74%	0.738	77%	0.768	S	S	*	*	S	Bend	trans	-168	145.2	159.7	-114.2	173.8	-145	0	0	113.3	S846 A850	S846-E848 PolarHBondContact O-N 3.44Å; E848-A850 PolarHBondContact O-N 3.44Å
849	N	26.4	Very low	27.5	Very low	136 Å²	136	152 Å²	152	73%	0.727	77%	0.77	S	S	*	*			trans	60.3	36	153.7	-64.2	-53.9	0	0	0	120	K851	N849-K851 VanDerWaalsContact C-N 3.3Å; N849-K851 PolarHBondContact O-N 3.22Å
850	A	26.1	Very low	27.4	Very low	89 Å²	89	149.4 Å²	149.4	74%	0.736	76%	0.757	S	S	*	*			trans	-75.6	59.2	176.7	0	0	0	0	0	115.8	E848 L852	E848-A850 PolarHBondContact O-N 3.44Å; A850-L852 PolarHBondContact O-N 3.33Å
851	K	26.3	Very low	27.4	Very low	195 Å²	195	147.7 Å²	147.7	85%	0.848	75%	0.751	S	S	*	*			trans	-65	114.6	170.4	-71.9	179	179	175	0	111	N849	N849-K851 VanDerWaalsContact C-N 3.3Å; N849-K851 PolarHBondContact O-N 3.22Å
852	L	25.6	Very low	27.3	Very low	109 Å²	109	145.2 Å²	145.2	57%	0.571	75%	0.749	S	S	*	*			trans	-126.5	83.1	171.2	-94.5	92.6	0	0	0	113.6	A850	A850-L852 PolarHBondContact O-N 3.33Å
853	C	24.8	Very low	27.3	Very low	126 Å²	126	138.4 Å²	138.4	85%	0.851	73%	0.727	S	S	*	*			trans	-118.6	82.5	154.5	-72	0	0	0	0	109.2
854	K	26.5	Very low	27.1	Very low	158 Å²	158	136 Å²	136	69%	0.687	72%	0.719	S	S	*	*			trans	-83.2	98.8	154.8	-73	-177	-177.1	173.7	0	105.7	E838	E838-K854 IonicContact OE1-NZ 3.05Å; E838-K854 IonicContact OE2-NZ 3.75Å; E838-K854 PolarHBondContact OE2-NZ 3.3Å
855	K	25.3	Very low	27.1	Very low	174 Å²	174	131.2 Å²	131.2	76%	0.757	70%	0.701	S	S	*	*				53.6	93.2	90.8	-70.8	-166.4	175	-175	0	111.8	E857	K855-E857 PolarHBondContact O-N 2.95Å
856	S	25.4	Very low	27.2	Very low	97 Å²	97	126.5 Å²	126.5	68%	0.678	68%	0.676	S	S	*	*			trans	-62.7	111	159	45	0	0	0	0	109.4	L858	S856-L858 PolarHBondContact O-N 2.69Å
857	E	24.6	Very low	27	Very low	180 Å²	180	127 Å²	127	84%	0.841	67%	0.669	S	S	*	*			trans	-80	112.8	175.9	-69.3	-162.7	151	0	0	110.9	K855 K859	K855-E857 PolarHBondContact O-N 2.95Å; E857-K859 PolarHBondContact O-N 3.02Å
858	L	26.6	Very low	27.1	Very low	112 Å²	112	119.3 Å²	119.3	59%	0.586	64%	0.638	S	S	*	*			trans	-63.9	100.7	166.8	-84.9	156.7	0	0	0	110	H86 S856 N860	H86-L858 HydrophobicContact CB-CD2 3.85Å; S856-L858 PolarHBondContact O-N 2.69Å; L858-N860 PolarHBondContact O-N 3.21Å
859	K	26.8	Very low	27.2	Very low	168 Å²	168	115.9 Å²	115.9	73%	0.73	62%	0.624	S	S	*	*			trans	-70.4	122.4	154.9	-73.9	-178.7	179.1	174.6	0	107.5	E857 H861	E857-K859 PolarHBondContact O-N 3.02Å; K859-H861 PolarHBondContact O-N 3.01Å
860	N	26	Very low	27.5	Very low	104 Å²	104	112.1 Å²	112.1	56%	0.556	60%	0.604	S	S	*	*			trans	-62.1	130	165.3	-64.8	75.3	0	0	0	107.8	K114 L858 T862	K114-N860 PolarHBondContact NZ-OD1 3.15Å; L858-N860 PolarHBondContact O-N 3.21Å; N860-T862 PolarHBondContact O-N 2.98Å
861	H	30.5	Very low	27.7	Very low	111 Å²	111	110.4 Å²	110.4	51%	0.514	58%	0.584	S	S	.	*			trans	-61.2	106.1	169.1	-170	-96.1	0	0	0	109.2	K859 G863	K859-H861 PolarHBondContact O-N 3.01Å; H861-G863 VanDerWaalsContact C-N 3.31Å; H861-G863 PolarHBondContact CE1-O 3.31Å; H861-G863 PolarHBondContact ND1-O 3.09Å
862	T	26.6	Very low	27.8	Very low	136 Å²	136	104.4 Å²	104.4	83%	0.834	57%	0.567	S	S	*	*			trans	-85.1	-6.8	179.1	48.5	0	0	0	0	112.8	N860 T864	N860-T862 PolarHBondContact O-N 2.98Å; T862-T864 PolarHBondContact O-N 2.93Å; T862-T864 VanDerWaalsContact O-N 3.15Å
863	G	27.4	Very low	28	Very low	38 Å²	38	105.8 Å²	105.8	39%	0.392	57%	0.57	S	S	.	*			trans	-70.2	104.3	173	0	0	0	0	0	110.7	H861 L865	H861-G863 VanDerWaalsContact C-N 3.31Å; H861-G863 PolarHBondContact CE1-O 3.31Å; H861-G863 PolarHBondContact ND1-O 3.09Å; G863-L865 PolarHBondContact O-N 2.72Å; G863-L865 VanDerWaalsContact O-N 3.09Å
864	T	27.5	Very low	28.1	Very low	111 Å²	111	105.1 Å²	105.1	68%	0.681	56%	0.555	S	S	*	*			trans	-65.5	102.6	154.4	44.8	0	0	0	0	107.3	T862 N866	T862-T864 PolarHBondContact O-N 2.93Å; T862-T864 VanDerWaalsContact O-N 3.15Å; T864-N866 PolarHBondContact O-N 3.4Å
865	L	30.8	Very low	28.3	Very low	76 Å²	76	109.4 Å²	109.4	40%	0.398	57%	0.566	S	S	.	*			trans	-73.8	71.5	175.4	-147.4	172.2	0	0	0	108.1	L82 G863 L867 I870	L82-L865 HydrophobicContact CB-CD1 4.48Å; L82-L865 HydrophobicContact CD2-CD1 4.31Å; L82-L865 WeakPolarHBondContact O-CD1 3.38Å; G863-L865 PolarHBondContact O-N 2.72Å; G863-L865 VanDerWaalsContact O-N 3.09Å; L865-L867 HydrophobicContact CD2-CD2 4.48Å; L865-L867 PolarHBondContact O-N 2.93Å; L865-I870 HydrophobicContact CD2-CD1 3.59Å
866	N	30.4	Very low	28.5	Very low	65 Å²	65	110.1 Å²	110.1	35%	0.348	57%	0.572	S	S	.	*			trans	-71.2	98.2	-179.6	-161.9	32.6	0	0	0	106.9	T864 S868 N869	T864-N866 PolarHBondContact O-N 3.4Å; N866-S868 VanDerWaalsContact CG-OG 3.26Å; N866-S868 PolarHBondContact ND2-OG 2.93Å; N866-S868 PolarHBondContact O-N 3.37Å; N866-S868 VanDerWaalsContact O-N 3.08Å; N866-S868 PolarHBondContact OD1-OG 2.97Å; N866-N869 HydrophobicContact CB-CB 4.25Å; N866-N869 PolarHBondContact ND2-OD1 2.97Å; N866-N869 WeakPolarHBondContact O-CB 3.43Å; N866-N869 PolarHBondContact O-N 3.46Å
867	L	28.5	Very low	28.5	Very low	122 Å²	122	109.8 Å²	109.8	64%	0.639	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.7	-37.3	-177.7	-80.1	163.6	0	0	0	110.8	L865 N869 I870 V871	L865-L867 HydrophobicContact CD2-CD2 4.48Å; L865-L867 PolarHBondContact O-N 2.93Å; L867-N869 PolarHBondContact O-N 3.09Å; L867-I870 WeakPolarHBondContact O-CB 3.22Å; L867-I870 PolarHBondContact O-N 3.31Å; L867-I870 VanDerWaalsContact O-N 3.17Å; L867-V871 VanDerWaalsContact O-CB 3.3Å; L867-V871 WeakPolarHBondContact O-CB 3.41Å; L867-V871 WeakPolarHBondContact O-CG2 3.41Å
868	S	30.1	Very low	28.7	Very low	40 Å²	40	107 Å²	107	28%	0.28	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	-28.8	174.6	51.1	0	0	0	0	115.2	N866 I870 V871 S872	N866-S868 VanDerWaalsContact CG-OG 3.26Å; N866-S868 PolarHBondContact ND2-OG 2.93Å; N866-S868 PolarHBondContact O-N 3.37Å; N866-S868 VanDerWaalsContact O-N 3.08Å; N866-S868 PolarHBondContact OD1-OG 2.97Å; S868-I870 VanDerWaalsContact C-N 3.32Å; S868-I870 PolarHBondContact O-N 3Å; S868-V871 CarbonylContact O-C 3.1Å; S868-V871 VanDerWaalsContact O-C 3.32Å; S868-V871 WeakPolarHBondContact O-CA 3.41Å; S868-V871 WeakPolarHBondContact O-CB 3.28Å; S868-V871 PolarHBondContact O-N 3.47Å; S868-V871 VanDerWaalsContact O-N 3.07Å; S868-S872 VanDerWaalsContact O-CB 3.27Å; S868-S872 WeakPolarHBondContact O-CB 3.46Å; S868-S872 PolarHBondContact O-N 2.98Å; S868-S872 PolarHBondContact O-OG 2.89Å
869	N	29.4	Very low	28.7	Very low	86 Å²	86	107.6 Å²	107.6	46%	0.46	57%	0.574	S	S	.	*	H	α-helix	trans	-72.4	-26.5	174.3	-74.9	24.2	0	0	0	112.4	N866 L867 V871	N866-N869 HydrophobicContact CB-CB 4.25Å; N866-N869 PolarHBondContact ND2-OD1 2.97Å; N866-N869 WeakPolarHBondContact O-CB 3.43Å; N866-N869 PolarHBondContact O-N 3.46Å; L867-N869 PolarHBondContact O-N 3.09Å; N869-V871 PolarHBondContact O-N 3.21Å
870	I	32.6	Very low	28.6	Very low	58 Å²	58	106.3 Å²	106.3	30%	0.297	58%	0.575	S	S	.	*	H	α-helix	trans	-76	-4.5	171.9	-68	174.6	0	0	0	110.9	Y818 L865 L867 S868	Y818-I870 HydrophobicContact CE1-CG2 4.21Å; Y818-I870 HydrophobicContact CE2-CG2 4.05Å; Y818-I870 WeakPolarHBondContact CE2-O 3.45Å; Y818-I870 WeakPolarHBondContact OH-CG2 3.22Å; L865-I870 HydrophobicContact CD2-CD1 3.59Å; L867-I870 WeakPolarHBondContact O-CB 3.22Å; L867-I870 PolarHBondContact O-N 3.31Å; L867-I870 VanDerWaalsContact O-N 3.17Å; S868-I870 VanDerWaalsContact C-N 3.32Å; S868-I870 PolarHBondContact O-N 3Å
871	V	30.7	Very low	28.6	Very low	52 Å²	52	110.8 Å²	110.8	32%	0.315	59%	0.589	S	S	.	*	H	α-helix	trans	-132.9	-5.7	-161.1	137.4	0	0	0	0	113.5	I780 L867 S868 N869	I780-V871 HydrophobicContact CD1-CB 4.03Å; I780-V871 HydrophobicContact CD1-CG1 3.47Å; I780-V871 VanDerWaalsContact CD1-CG1 3.47Å; I780-V871 HydrophobicContact CD1-CG2 3.91Å; I780-V871 HydrophobicContact CG1-CB 4.23Å; I780-V871 HydrophobicContact CG1-CG1 4.05Å; I780-V871 HydrophobicContact CG1-CG2 4.23Å; I780-V871 WeakPolarHBondContact CG1-O 3.41Å; L867-V871 VanDerWaalsContact O-CB 3.3Å; L867-V871 WeakPolarHBondContact O-CB 3.41Å; L867-V871 WeakPolarHBondContact O-CG2 3.41Å; S868-V871 CarbonylContact O-C 3.1Å; S868-V871 VanDerWaalsContact O-C 3.32Å; S868-V871 WeakPolarHBondContact O-CA 3.41Å; S868-V871 WeakPolarHBondContact O-CB 3.28Å; S868-V871 PolarHBondContact O-N 3.47Å; S868-V871 VanDerWaalsContact O-N 3.07Å; N869-V871 PolarHBondContact O-N 3.21Å
872	S	27.9	Very low	28.4	Very low	69 Å²	69	113.5 Å²	113.5	48%	0.483	61%	0.607	S	S	.	*	H	α-helix	trans	-141.2	4.5	-171.1	64.9	0	0	0	0	117.4	S868 Q874	S868-S872 VanDerWaalsContact O-CB 3.27Å; S868-S872 WeakPolarHBondContact O-CB 3.46Å; S868-S872 PolarHBondContact O-N 2.98Å; S868-S872 PolarHBondContact O-OG 2.89Å; S872-Q874 PolarHBondContact O-N 3.31Å
873	E	29.5	Very low	28.5	Very low	139 Å²	139	114.6 Å²	114.6	65%	0.65	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	58	176.7	-71.8	-172.3	144.9	0	0	113.8	K821	K821-E873 IonicContact NZ-OE2 3.92Å; K821-E873 PolarHBondContact NZ-OE2 3.3Å
874	Q	28.2	Very low	28.6	Very low	112 Å²	112	119.1 Å²	119.1	52%	0.523	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-146.2	-4.4	166.1	-128.8	176.6	7.7	0	0	115.9	S872 Q876	S872-Q874 PolarHBondContact O-N 3.31Å; Q874-Q876 VanDerWaalsContact C-N 3.31Å; Q874-Q876 PolarHBondContact O-N 3.46Å
875	R	28.6	Very low	28.6	Very low	247 Å²	247	122.4 Å²	122.4	93%	0.932	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	10.4	-179.3	-78.5	-170.3	175.4	175.3	1.7	116.1
876	Q	29.8	Very low	28.4	Very low	189 Å²	189	124.4 Å²	124.4	88%	0.883	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	5.9	-176.2	-71.2	-169.6	-15.3	0	0	116.2	Q874	Q874-Q876 VanDerWaalsContact C-N 3.31Å; Q874-Q876 PolarHBondContact O-N 3.46Å
877	S	27	Very low	28.2	Very low	90 Å²	90	127.7 Å²	127.7	63%	0.629	68%	0.678	S	S	*	*	S	Bend	trans	-106.3	-13.5	178.4	51.3	0	0	0	0	115.1
878	V	26.8	Very low	28.3	Very low	123 Å²	123	131 Å²	131	75%	0.745	69%	0.691	S	S	*	*			trans	-106	61.5	-177.9	-165.6	0	0	0	0	111.6
879	T	27.2	Very low	28	Very low	123 Å²	123	133.4 Å²	133.4	76%	0.755	71%	0.712	S	S	*	*			trans	-123.3	38.6	167.4	42.9	0	0	0	0	111.5
880	N	25.7	Very low	27.9	Very low	142 Å²	142	137.9 Å²	137.9	76%	0.759	73%	0.731	S	S	*	*	S	Bend	trans	-145.7	142.8	169.1	-92.2	-60.2	0	0	0	110
881	K	26.1	Very low	27.6	Very low	198 Å²	198	140 Å²	140	86%	0.861	75%	0.751	S	S	*	*	S	Bend	trans	61.4	89.6	-179.3	-54.7	175.7	-178.1	175.5	0	115.8
882	L	26.2	Very low	27.4	Very low	168 Å²	168	144.2 Å²	144.2	88%	0.88	78%	0.777	S	S	*	*				178	101.3	118	-96.5	162.7	0	0	0	110.2
883	N	27.9	Very low	27.4	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	79%	0.793	S	S	*	*			trans	-154.8	99.9	154.9	-103.1	-25	0	0	0	108.1
884	T	29.7	Very low	27.3	Very low	133 Å²	133	142.2 Å²	142.2	82%	0.816	80%	0.804	S	S	*	*			trans	34.9	132.9	147.7	-22.8	0	0	0	0	121
885	E	26.8	Very low	27.1	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	81%	0.813	S	S	*	*	S	Bend	trans	-74.4	141.9	175.8	-58.4	171.5	123.2	0	0	112.8
886	S	27.5	Very low	26.9	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	80%	0.804	S	S	*	*	S	Bend	trans	61.8	131.5	170.8	69.8	0	0	0	0	117.5
887	T	25.7	Very low	26.6	Very low	134 Å²	134	132.2 Å²	132.2	82%	0.822	79%	0.79	S	S	*	*			cis	-110.1	164	-0.8	45.9	0	0	0	0	112.2
888	E	30.7	Very low	26.6	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	80%	0.797	S	S	*	*			trans	-61.7	142.2	-177.5	-61.9	-178.1	160.8	0	0	113.3
889	A	24.4	Very low	26.5	Very low	89 Å²	89	134.3 Å²	134.3	74%	0.736	80%	0.795	S	S	*	*	S	Bend	trans	69.6	133	173.4	0	0	0	0	0	119
890	E	26.2	Very low	26.4	Very low	181 Å²	181	135.2 Å²	135.2	85%	0.846	80%	0.795	S	S	*	*			trans	51.9	97.3	141.7	-62	-172.1	167.4	0	0	121.3
891	S	27.2	Very low	26.3	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	79%	0.791	S	S	*	*				101.1	163.2	112.4	82.9	0	0	0	0	120.9
892	T	27.4	Very low	26.2	Very low	140 Å²	140	130 Å²	130	86%	0.859	78%	0.777	S	S	*	*			trans	62.1	89.1	170.2	59.9	0	0	0	0	117.9
893	G	26.9	Very low	26.1	Very low	80 Å²	80	130 Å²	130	83%	0.825	77%	0.766	S	S	*	*	S	Bend	trans	174	76.5	166.7	0	0	0	0	0	117.5	S895	G893-S895 PolarHBondContact O-N 3Å
894	G	27.2	Very low	25.9	Very low	85 Å²	85	128.5 Å²	128.5	88%	0.876	75%	0.752	S	S	*	*			trans	77.6	23.4	150.7	0	0	0	0	0	119.8
895	S	24.4	Very low	25.5	Very low	102 Å²	102	127.3 Å²	127.3	71%	0.713	75%	0.745	S	S	*	*			trans	-62.7	149.3	165.4	56.6	0	0	0	0	112	G893	G893-S895 PolarHBondContact O-N 3Å
896	N	24.2	Very low	25.3	Very low	140 Å²	140	123.3 Å²	123.3	75%	0.749	73%	0.729	S	S	*	*			cis	-160.9	161.7	10.8	-125.2	-0.4	0	0	0	112.5
897	T	24.1	Very low	25.1	Very low	96 Å²	96	126.6 Å²	126.6	59%	0.589	73%	0.728	S	S	*	*			trans	40.4	111.5	151.7	58.9	0	0	0	0	119.3
898	T	25.5	Very low	24.9	Very low	125 Å²	125	131.8 Å²	131.8	77%	0.767	73%	0.733	S	S	*	*				39.3	96.4	81.1	68.3	0	0	0	0	115
899	N	24.9	Very low	24.5	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	73%	0.733	S	S	*	*			trans	-151.2	102.8	152.7	-102.1	-31.2	0	0	0	109	N901	N899-N901 PolarHBondContact O-N 2.99Å
900	N	25.4	Very low	24.4	Very low	142 Å²	142	137.9 Å²	137.9	76%	0.759	74%	0.741	S	S	*	*			trans	-73.9	80.1	171.3	-68.2	5.9	0	0	0	108.6	D902	N900-D902 PolarHBondContact O-N 3.24Å
901	N	24.6	Very low	24.1	Very low	125 Å²	125	136.4 Å²	136.4	67%	0.668	74%	0.738	S	S	*	*			trans	-79.8	45.1	169	-75.4	-1.6	0	0	0	110.9	N899 Y903	N899-N901 PolarHBondContact O-N 2.99Å; N901-Y903 PolarHBondContact O-N 3.48Å
902	D	22.9	Very low	23.9	Very low	106 Å²	106	138.2 Å²	138.2	57%	0.567	75%	0.745	S	S	*	*			trans	-74.9	67.7	171.7	-72.8	-53.2	0	0	0	109.4	N900 F904	N900-D902 PolarHBondContact O-N 3.24Å; D902-F904 HydrophobicContact CB-CE2 4.4Å; D902-F904 WeakPolarHBondContact O-CD2 3.43Å; D902-F904 PolarHBondContact O-N 3.17Å
903	Y	24	Very low	23.7	Very low	168 Å²	168	136.8 Å²	136.8	66%	0.659	74%	0.741	S	S	*	*			trans	-77.2	72.9	166.6	-81.8	-84.9	0	0	0	109.9	N901	N901-Y903 PolarHBondContact O-N 3.48Å
904	F	23.3	Very low	23.7	Very low	126 Å²	126	141.8 Å²	141.8	55%	0.553	74%	0.743	S	S	*	*			trans	-12.5	138.6	169.9	-80.6	-78.3	0	0	0	118.7	Q692 D902	Q692-F904 VanDerWaalsContact CD-CB 3.42Å; Q692-F904 HydrophobicContact CG-CB 4.39Å; Q692-F904 HydrophobicContact CG-CD1 3.73Å; Q692-F904 HydrophobicContact CG-CE1 4.13Å; Q692-F904 HydrophobicContact CG-CG 3.97Å; D902-F904 HydrophobicContact CB-CE2 4.4Å; D902-F904 WeakPolarHBondContact O-CD2 3.43Å; D902-F904 PolarHBondContact O-N 3.17Å
905	T	21.6	Very low	23.6	Very low	108 Å²	108	142 Å²	142	66%	0.663	73%	0.731	S	S	*	*			trans	-95.3	135.2	166.3	48.2	0	0	0	0	111	Q692	Q692-T905 PolarHBondContact NE2-O 3.47Å
906	L	22.8	Very low	23.7	Very low	95 Å²	95	145.3 Å²	145.3	50%	0.497	73%	0.733	S	S	.	*			trans	-108.4	109.8	165.3	-156.1	143.4	0	0	0	110	D690 R908	D690-L906 HydrophobicContact CB-CD1 4.26Å; D690-L906 VanDerWaalsContact OD1-CD1 3.27Å; D690-L906 WeakPolarHBondContact OD1-CD1 3.42Å; L906-R908 PolarHBondContact O-N 3.15Å
907	K	23.1	Very low	23.9	Very low	188 Å²	188	146.5 Å²	146.5	82%	0.817	74%	0.736	S	S	*	*			trans	-79.1	103.2	-171.5	-72.8	174.4	-179	163.9	0	112.2
908	R	23.1	Very low	24.2	Very low	242 Å²	242	145 Å²	145	91%	0.913	73%	0.725	S	S	*	*			trans	-130	116.8	144.6	-128	173.5	-175	171.3	1.3	109.7	L906 L910	L906-R908 PolarHBondContact O-N 3.15Å; R908-L910 PolarHBondContact O-N 3.28Å
909	R	21.2	Very low	24.3	Very low	238 Å²	238	143 Å²	143	90%	0.898	72%	0.716	S	S	*	*			trans	-73.6	113.8	-173.7	-75.3	175.6	169.5	159.5	-6.4	111.5
910	L	22.4	Very low	24.5	Very low	173 Å²	173	140.4 Å²	140.4	91%	0.906	71%	0.708	S	S	*	*			trans	-135	143.7	137	-89.8	172.8	0	0	0	108	R908	R908-L910 PolarHBondContact O-N 3.28Å
911	N	21	Very low	24.7	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	69%	0.688	S	S	*	*			trans	-87.3	116.5	-170.2	-54.8	-35.8	0	0	0	110.9
912	T	23	Very low	25	Very low	141 Å²	141	135 Å²	135	87%	0.865	68%	0.678	S	S	*	*				-171.9	158	117.3	26.5	0	0	0	0	110.5
913	S	22.8	Very low	25.4	Very low	111 Å²	111	133 Å²	133	78%	0.776	67%	0.672	S	S	*	*			trans	-75.6	124.5	-179.1	50.1	0	0	0	0	113.2
914	E	26	Very low	25.8	Very low	184 Å²	184	127.2 Å²	127.2	86%	0.86	66%	0.656	S	S	*	*			trans	-154.7	162.5	153.1	-114.3	159.7	-131.8	0	0	109.4
915	S	26.5	Very low	26.3	Very low	90 Å²	90	126.8 Å²	126.8	63%	0.629	65%	0.654	S	S	*	*			trans	-101.6	163.2	-153.5	54.5	0	0	0	0	116.1	M917	S915-M917 PolarHBondContact O-N 3.07Å
916	F	25.5	Very low	27	Very low	172 Å²	172	128.1 Å²	128.1	75%	0.754	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	9.6	-168.1	-99.8	-103.4	0	0	0	117.8
917	M	28.4	Very low	27.6	Very low	165 Å²	165	128 Å²	128	81%	0.813	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	5.3	-178.2	-76.5	-67.4	-171	0	0	114.5	S915	S915-M917 PolarHBondContact O-N 3.07Å
918	N	30.7	Very low	28.2	Very low	64 Å²	64	123.5 Å²	123.5	34%	0.342	63%	0.631	S	S	.	*			trans	-86.1	-18.1	-169	-85.3	-41.5	0	0	0	115.9	S920 T921 E922	N918-S920 PolarHBondContact O-N 3.26Å; N918-T921 CarbonylContact O-C 3.57Å; N918-T921 WeakPolarHBondContact O-CA 3.48Å; N918-T921 PolarHBondContact O-N 3.36Å; N918-T921 PolarHBondContact O-OG1 3.09Å; N918-E922 HydrophobicContact CB-CG 4.4Å; N918-E922 PolarHBondContact O-N 2.94Å
919	S	27.2	Very low	28.9	Very low	83 Å²	83	114.2 Å²	114.2	58%	0.58	60%	0.603	S	S	*	*	H	α-helix	trans	-56.1	-48	-167.8	57.8	0	0	0	0	114.4	T921 E922 S923	S919-T921 VanDerWaalsContact C-N 3.34Å; S919-T921 PolarHBondContact O-N 3.35Å; S919-E922 PolarHBondContact O-N 3.16Å; S919-S923 PolarHBondContact O-N 3.27Å; S919-S923 PolarHBondContact O-OG 2.91Å
920	S	28.2	Very low	29.5	Very low	78 Å²	78	105.7 Å²	105.7	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-68.1	-32.6	178.3	63.8	0	0	0	0	112.8	N918 S924	N918-S920 PolarHBondContact O-N 3.26Å; S920-S924 WeakPolarHBondContact O-CB 3.36Å; S920-S924 PolarHBondContact O-N 2.78Å; S920-S924 PolarHBondContact O-OG 3.29Å
921	T	30.3	Very low	30.1	Very low	55 Å²	55	98.8 Å²	98.8	34%	0.337	54%	0.539	S	S	.	.	H	α-helix	trans	-75.4	-26.3	173.2	76.9	0	0	0	0	112.3	N918 S919 S924 K925	N918-T921 CarbonylContact O-C 3.57Å; N918-T921 WeakPolarHBondContact O-CA 3.48Å; N918-T921 PolarHBondContact O-N 3.36Å; N918-T921 PolarHBondContact O-OG1 3.09Å; S919-T921 VanDerWaalsContact C-N 3.34Å; S919-T921 PolarHBondContact O-N 3.35Å; T921-S924 WeakPolarHBondContact CA-OG 3.35Å; T921-S924 PolarHBondContact O-OG 2.82Å; T921-K925 VanDerWaalsContact O-CB 3.32Å; T921-K925 WeakPolarHBondContact O-CB 3.33Å; T921-K925 WeakPolarHBondContact O-CD 3.41Å; T921-K925 WeakPolarHBondContact O-CE 3.31Å; T921-K925 WeakPolarHBondContact O-CG 3.47Å; T921-K925 PolarHBondContact O-N 3.08Å; T921-K925 PolarHBondContact OG1-NZ 3.4Å; T921-K925 VanDerWaalsContact OG1-NZ 3.15Å
922	E	31.9	Very low	30.8	Very low	100 Å²	100	97.4 Å²	97.4	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-75.6	-49.2	170.9	-73.4	-171.7	137.5	0	0	110.8	N918 S919 S924 K925 W926	N918-E922 HydrophobicContact CB-CG 4.4Å; N918-E922 PolarHBondContact O-N 2.94Å; S919-E922 PolarHBondContact O-N 3.16Å; E922-S924 VanDerWaalsContact C-N 3.25Å; E922-S924 PolarHBondContact O-N 3.13Å; E922-K925 CarbonylContact O-C 3.56Å; E922-K925 WeakPolarHBondContact O-CA 3.35Å; E922-K925 WeakPolarHBondContact O-CB 3.23Å; E922-K925 PolarHBondContact O-N 3.5Å; E922-W926 PolarHBondContact O-N 3.02Å
923	S	30.1	Very low	31.3	Very low	64 Å²	64	92.2 Å²	92.2	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-56.6	-38.2	175.2	-61.9	0	0	0	0	112.6	S919 W926 L927	S919-S923 PolarHBondContact O-N 3.27Å; S919-S923 PolarHBondContact O-OG 2.91Å; S923-W926 PolarHBondContact O-N 3.34Å; S923-L927 WeakPolarHBondContact O-CB 3.39Å; S923-L927 PolarHBondContact O-N 3Å
924	S	31.8	Very low	31.7	Very low	46 Å²	46	89.5 Å²	89.5	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-76.1	-30.1	173.5	53.3	0	0	0	0	113.9	S920 T921 E922 L928	S920-S924 WeakPolarHBondContact O-CB 3.36Å; S920-S924 PolarHBondContact O-N 2.78Å; S920-S924 PolarHBondContact O-OG 3.29Å; T921-S924 WeakPolarHBondContact CA-OG 3.35Å; T921-S924 PolarHBondContact O-OG 2.82Å; E922-S924 VanDerWaalsContact C-N 3.25Å; E922-S924 PolarHBondContact O-N 3.13Å; S924-L928 VanDerWaalsContact O-CB 3.29Å; S924-L928 WeakPolarHBondContact O-CB 3.46Å; S924-L928 PolarHBondContact O-N 3.49Å
925	K	35.2	Very low	32	Very low	117 Å²	117	83.9 Å²	83.9	51%	0.509	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-40.2	166.6	-75.8	159.4	-161.1	150	0	111.8	T921 E922 L928 S929	T921-K925 VanDerWaalsContact O-CB 3.32Å; T921-K925 WeakPolarHBondContact O-CB 3.33Å; T921-K925 WeakPolarHBondContact O-CD 3.41Å; T921-K925 WeakPolarHBondContact O-CE 3.31Å; T921-K925 WeakPolarHBondContact O-CG 3.47Å; T921-K925 PolarHBondContact O-N 3.08Å; T921-K925 PolarHBondContact OG1-NZ 3.4Å; T921-K925 VanDerWaalsContact OG1-NZ 3.15Å; E922-K925 CarbonylContact O-C 3.56Å; E922-K925 WeakPolarHBondContact O-CA 3.35Å; E922-K925 WeakPolarHBondContact O-CB 3.23Å; E922-K925 PolarHBondContact O-N 3.5Å; K925-L928 CarbonylContact O-C 3.55Å; K925-L928 PolarHBondContact O-N 3.14Å; K925-S929 WeakPolarHBondContact O-CA 3.23Å; K925-S929 WeakPolarHBondContact O-CB 3.44Å; K925-S929 PolarHBondContact O-N 3.38Å
926	W	36.4	Very low	32.2	Very low	135 Å²	135	83.6 Å²	83.6	51%	0.511	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-48.7	175.1	-77.8	111.6	0	0	0	110.1	E922 S923 L928 S929 D930	E922-W926 PolarHBondContact O-N 3.02Å; S923-W926 PolarHBondContact O-N 3.34Å; W926-L928 PolarHBondContact O-N 2.99Å; W926-S929 WeakPolarHBondContact O-CB 3.3Å; W926-S929 PolarHBondContact O-N 3.39Å; W926-D930 PolarHBondContact O-N 2.7Å
927	L	34.7	Very low	32.2	Very low	94 Å²	94	85.6 Å²	85.6	49%	0.492	44%	0.438	S	S	.	.	H	α-helix	trans	-56.8	-48.5	173.5	-162	83.3	0	0	0	111.5	S923 S929 L931	S923-L927 WeakPolarHBondContact O-CB 3.39Å; S923-L927 PolarHBondContact O-N 3Å; L927-S929 VanDerWaalsContact C-N 3.29Å; L927-S929 PolarHBondContact O-N 3.16Å; L927-L931 HydrophobicContact CD2-CD1 4.32Å; L927-L931 HydrophobicContact CG-CD1 4.03Å; L927-L931 WeakPolarHBondContact O-CB 3.36Å; L927-L931 WeakPolarHBondContact O-CD1 3.48Å; L927-L931 WeakPolarHBondContact O-CG 3.43Å; L927-L931 PolarHBondContact O-N 2.95Å
928	L	35.5	Very low	32.1	Very low	93 Å²	93	83 Å²	83	49%	0.487	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-26.5	175.6	-89	156.9	0	0	0	113.7	S924 K925 W926 K932	S924-L928 VanDerWaalsContact O-CB 3.29Å; S924-L928 WeakPolarHBondContact O-CB 3.46Å; S924-L928 PolarHBondContact O-N 3.49Å; K925-L928 CarbonylContact O-C 3.55Å; K925-L928 PolarHBondContact O-N 3.14Å; W926-L928 PolarHBondContact O-N 2.99Å; L928-K932 VanDerWaalsContact O-CB 3.24Å; L928-K932 WeakPolarHBondContact O-CB 3.5Å; L928-K932 WeakPolarHBondContact O-CG 3.47Å; L928-K932 PolarHBondContact O-N 2.86Å
929	S	38.2	Very low	32.1	Very low	46 Å²	46	85.1 Å²	85.1	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-78.4	-45.7	177.9	-178.9	0	0	0	0	111.1	K925 W926 L927 K932 S933	K925-S929 WeakPolarHBondContact O-CA 3.23Å; K925-S929 WeakPolarHBondContact O-CB 3.44Å; K925-S929 PolarHBondContact O-N 3.38Å; W926-S929 WeakPolarHBondContact O-CB 3.3Å; W926-S929 PolarHBondContact O-N 3.39Å; L927-S929 VanDerWaalsContact C-N 3.29Å; L927-S929 PolarHBondContact O-N 3.16Å; S929-K932 PolarHBondContact O-N 2.7Å; S929-S933 WeakPolarHBondContact O-CB 3.42Å; S929-S933 PolarHBondContact O-N 2.87Å
930	D	34.7	Very low	31.9	Very low	60 Å²	60	85 Å²	85	32%	0.321	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-43.9	175.7	-70.9	-25.1	0	0	0	110.1	W926 K932 S933 I934	W926-D930 PolarHBondContact O-N 2.7Å; D930-K932 PolarHBondContact O-N 3.41Å; D930-S933 WeakPolarHBondContact CA-OG 3.37Å; D930-S933 PolarHBondContact O-N 3.24Å; D930-S933 VanDerWaalsContact O-N 3.12Å; D930-S933 PolarHBondContact O-OG 2.85Å; D930-I934 WeakPolarHBondContact O-CG1 3.49Å; D930-I934 PolarHBondContact O-N 3.2Å; D930-I934 VanDerWaalsContact O-N 3.08Å
931	L	34.2	Very low	31.8	Very low	27 Å²	27	87.6 Å²	87.6	14%	0.141	45%	0.451	C	S	.	.	H	α-helix	trans	-59.5	-44.3	171.5	-71.8	171.6	0	0	0	112.1	L927 S933 I934 W935	L927-L931 HydrophobicContact CD2-CD1 4.32Å; L927-L931 HydrophobicContact CG-CD1 4.03Å; L927-L931 WeakPolarHBondContact O-CB 3.36Å; L927-L931 WeakPolarHBondContact O-CD1 3.48Å; L927-L931 WeakPolarHBondContact O-CG 3.43Å; L927-L931 PolarHBondContact O-N 2.95Å; L931-S933 VanDerWaalsContact C-N 3.32Å; L931-S933 PolarHBondContact O-N 2.84Å; L931-I934 WeakPolarHBondContact O-CB 3.24Å; L931-I934 PolarHBondContact O-N 2.87Å; L931-I934 VanDerWaalsContact O-N 3.14Å; L931-W935 HydrophobicContact CB-CE3 4.09Å; L931-W935 HydrophobicContact CB-CH2 3.87Å; L931-W935 HydrophobicContact CB-CZ2 4.43Å; L931-W935 HydrophobicContact CB-CZ3 3.68Å; L931-W935 HydrophobicContact CD1-CH2 4.2Å; L931-W935 HydrophobicContact CD2-CH2 3.87Å; L931-W935 HydrophobicContact CD2-CZ2 3.94Å; L931-W935 HydrophobicContact CG-CH2 4.2Å; L931-W935 HydrophobicContact CG-CZ3 4.47Å; L931-W935 VanDerWaalsContact O-CG 3.3Å; L931-W935 PolarHBondContact O-N 3.22Å
932	K	34.6	Very low	31.5	Very low	120 Å²	120	94.6 Å²	94.6	52%	0.522	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-37.5	172.2	-82.1	177.6	175.8	-172.9	0	112.7	T540 L928 S929 D930 I934 W935 D936	T540-K932 HydrophobicContact CG2-CB 3.87Å; L928-K932 VanDerWaalsContact O-CB 3.24Å; L928-K932 WeakPolarHBondContact O-CB 3.5Å; L928-K932 WeakPolarHBondContact O-CG 3.47Å; L928-K932 PolarHBondContact O-N 2.86Å; S929-K932 PolarHBondContact O-N 2.7Å; D930-K932 PolarHBondContact O-N 3.41Å; K932-I934 PolarHBondContact O-N 3.1Å; K932-W935 CarbonylContact O-C 3.5Å; K932-W935 WeakPolarHBondContact O-CA 3.17Å; K932-W935 PolarHBondContact O-N 3.35Å; K932-D936 PolarHBondContact O-N 2.94Å
933	S	34.9	Very low	31.2	Very low	32 Å²	32	97 Å²	97	22%	0.224	49%	0.492	C	S	.	.	H	α-helix	trans	-67.9	-18.1	176.4	79.6	0	0	0	0	113.9	S929 D930 L931	S929-S933 WeakPolarHBondContact O-CB 3.42Å; S929-S933 PolarHBondContact O-N 2.87Å; D930-S933 WeakPolarHBondContact CA-OG 3.37Å; D930-S933 PolarHBondContact O-N 3.24Å; D930-S933 VanDerWaalsContact O-N 3.12Å; D930-S933 PolarHBondContact O-OG 2.85Å; L931-S933 VanDerWaalsContact C-N 3.32Å; L931-S933 PolarHBondContact O-N 2.84Å
934	I	31.5	Very low	30.8	Very low	55 Å²	55	103.3 Å²	103.3	28%	0.282	51%	0.511	S	S	.	.	H	α-helix	trans	-83.7	-15.1	170.4	-65.6	162.4	0	0	0	111	D930 L931 K932	D930-I934 WeakPolarHBondContact O-CG1 3.49Å; D930-I934 PolarHBondContact O-N 3.2Å; D930-I934 VanDerWaalsContact O-N 3.08Å; L931-I934 WeakPolarHBondContact O-CB 3.24Å; L931-I934 PolarHBondContact O-N 2.87Å; L931-I934 VanDerWaalsContact O-N 3.14Å; K932-I934 PolarHBondContact O-N 3.1Å
935	W	32.3	Very low	30.6	Very low	65 Å²	65	110.3 Å²	110.3	25%	0.246	53%	0.532	C	S	.	.	H	α-helix	trans	-120.3	-18.1	-168	-63.6	-28.3	0	0	0	116.8	V342 L345 L931 K932 Y937	V342-W935 HydrophobicContact CG1-CH2 4.48Å; V342-W935 HydrophobicContact CG2-CH2 4.46Å; L345-W935 HydrophobicContact CB-CD2 4.45Å; L345-W935 HydrophobicContact CB-CH2 4.16Å; L345-W935 HydrophobicContact CB-CZ2 3.49Å; L345-W935 VanDerWaalsContact CB-CZ2 3.49Å; L345-W935 HydrophobicContact CD1-CD2 3.87Å; L345-W935 HydrophobicContact CD1-CE3 3.8Å; L345-W935 HydrophobicContact CD1-CH2 3.76Å; L345-W935 HydrophobicContact CD1-CZ2 3.83Å; L345-W935 HydrophobicContact CD1-CZ3 3.73Å; L345-W935 HydrophobicContact CG-CZ2 4.3Å; L931-W935 HydrophobicContact CB-CE3 4.09Å; L931-W935 HydrophobicContact CB-CH2 3.87Å; L931-W935 HydrophobicContact CB-CZ2 4.43Å; L931-W935 HydrophobicContact CB-CZ3 3.68Å; L931-W935 HydrophobicContact CD1-CH2 4.2Å; L931-W935 HydrophobicContact CD2-CH2 3.87Å; L931-W935 HydrophobicContact CD2-CZ2 3.94Å; L931-W935 HydrophobicContact CG-CH2 4.2Å; L931-W935 HydrophobicContact CG-CZ3 4.47Å; L931-W935 VanDerWaalsContact O-CG 3.3Å; L931-W935 PolarHBondContact O-N 3.22Å; K932-W935 CarbonylContact O-C 3.5Å; K932-W935 WeakPolarHBondContact O-CA 3.17Å; K932-W935 PolarHBondContact O-N 3.35Å; W935-Y937 PolarHBondContact O-N 3.19Å
936	D	28.8	Very low	30	Very low	85 Å²	85	111.9 Å²	111.9	46%	0.455	55%	0.546	S	S	.	.			trans	-72.6	84.2	177.1	-85.1	-52.6	0	0	0	112.6	T540 K932	T540-D936 WeakPolarHBondContact CB-OD2 3.22Å; T540-D936 WeakPolarHBondContact CG2-OD2 3.37Å; T540-D936 WeakPolarHBondContact O-CB 3.42Å; K932-D936 PolarHBondContact O-N 2.94Å
937	Y	26.2	Very low	29.5	Very low	214 Å²	214	112.2 Å²	112.2	84%	0.839	56%	0.558	S	S	*	*			trans	-122.6	77.9	169.3	-163.8	-84.7	0	0	0	110.3	W935	W935-Y937 PolarHBondContact O-N 3.19Å
938	D	27.5	Very low	29.3	Very low	109 Å²	109	116.8 Å²	116.8	58%	0.583	58%	0.576	S	S	*	*			trans	-109.5	163	-174.9	-171.7	29.4	0	0	0	113.6
939	Q	28.9	Very low	28.9	Very low	109 Å²	109	118.8 Å²	118.8	51%	0.509	59%	0.588	S	S	.	*			trans	73.8	65.9	175.2	-55.9	-58.5	-48.6	0	0	116.8	E941	Q939-E941 PolarHBondContact O-N 3.37Å
940	G	24.1	Very low	28.5	Very low	80 Å²	80	120.4 Å²	120.4	83%	0.825	60%	0.604	S	S	*	*			trans	-70.1	109.2	149.3	0	0	0	0	0	111.2	K942	G940-K942 PolarHBondContact O-N 2.73Å
941	E	25.5	Very low	28.2	Very low	133 Å²	133	124.6 Å²	124.6	62%	0.621	63%	0.626	S	S	*	*			trans	-64.6	105.5	178.8	-79.1	-179.4	159.3	0	0	112.7	K548 Q939 L943	K548-E941 WeakPolarHBondContact CE-OE2 3.32Å; K548-E941 IonicContact NZ-OE1 3.82Å; K548-E941 PolarHBondContact NZ-OE1 2.85Å; K548-E941 IonicContact NZ-OE2 2.72Å; K548-E941 PolarHBondContact NZ-OE2 3.19Å; Q939-E941 PolarHBondContact O-N 3.37Å; E941-L943 PolarHBondContact O-N 3.36Å; E941-L943 VanDerWaalsContact O-N 3.08Å
942	K	24.9	Very low	27.9	Very low	202 Å²	202	125.6 Å²	125.6	88%	0.878	64%	0.642	S	S	*	*			trans	28.7	67.1	149.6	-65.6	178.1	178.4	168.8	0	117.4	G940 K944	G940-K942 PolarHBondContact O-N 2.73Å; K942-K944 PolarHBondContact O-N 3Å
943	L	24.8	Very low	27.4	Very low	151 Å²	151	128.1 Å²	128.1	79%	0.791	65%	0.653	S	S	*	*			trans	-90.8	83.2	161.9	-77.9	169.6	0	0	0	111	E941 Y945	E941-L943 PolarHBondContact O-N 3.36Å; E941-L943 VanDerWaalsContact O-N 3.08Å; L943-Y945 HydrophobicContact CD2-CD2 3.92Å; L943-Y945 HydrophobicContact CD2-CE2 3.99Å; L943-Y945 PolarHBondContact O-N 2.97Å; L943-Y945 VanDerWaalsContact O-N 3.13Å
944	K	22.9	Very low	27.1	Very low	196 Å²	196	131 Å²	131	85%	0.852	67%	0.67	S	S	*	*			trans	-67.4	99.7	158.2	-80.4	-167.7	173	-165.2	0	108.6	K942	K942-K944 PolarHBondContact O-N 3Å
945	Y	26.2	Very low	26.9	Very low	193 Å²	193	131 Å²	131	76%	0.757	67%	0.674	S	S	*	*			trans	-138	102	165.3	-89.3	-74.8	0	0	0	111.5	L943 N947	L943-Y945 HydrophobicContact CD2-CD2 3.92Å; L943-Y945 HydrophobicContact CD2-CE2 3.99Å; L943-Y945 PolarHBondContact O-N 2.97Å; L943-Y945 VanDerWaalsContact O-N 3.13Å; Y945-N947 PolarHBondContact O-N 3.47Å
946	D	23.4	Very low	26.7	Very low	151 Å²	151	130.7 Å²	130.7	81%	0.807	69%	0.686	S	S	*	*			trans	-61.8	116.7	159.1	-52.5	-79.9	0	0	0	108.8
947	N	26.7	Very low	26.5	Very low	142 Å²	142	133 Å²	133	76%	0.759	69%	0.692	S	S	*	*			trans	-172.9	136.5	150	-100.6	-50.8	0	0	0	111.3	Y945 N949	Y945-N947 PolarHBondContact O-N 3.47Å; N947-N949 PolarHBondContact O-N 3.49Å
948	Q	29.4	Very low	26.7	Very low	189 Å²	189	127.7 Å²	127.7	88%	0.883	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	15.2	-162.7	-64.7	172	-46.7	0	0	115.5
949	N	28	Very low	26.7	Very low	135 Å²	135	127.5 Å²	127.5	72%	0.722	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-9.4	-165.4	-67.5	-10.1	0	0	0	115.6	N947 L951 G952	N947-N949 PolarHBondContact O-N 3.49Å; N949-L951 VanDerWaalsContact C-N 3.34Å; N949-L951 PolarHBondContact O-N 2.91Å; N949-G952 PolarHBondContact O-N 3.07Å
950	A	28.4	Very low	26.6	Very low	80 Å²	80	124.7 Å²	124.7	66%	0.661	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-30.3	-173.7	0	0	0	0	0	114.3	G952 F953	A950-G952 PolarHBondContact O-N 2.93Å; A950-F953 PolarHBondContact O-N 3.27Å
951	L	28.9	Very low	26.8	Very low	149 Å²	149	125.3 Å²	125.3	78%	0.78	65%	0.653	S	S	*	*	H	α-helix	trans	-65.3	-16.9	-178.2	-89	145.9	0	0	0	114.7	N949 S955	N949-L951 VanDerWaalsContact C-N 3.34Å; N949-L951 PolarHBondContact O-N 2.91Å; L951-S955 PolarHBondContact O-OG 2.92Å
952	G	27.2	Very low	27.2	Very low	47 Å²	47	123 Å²	123	49%	0.485	65%	0.648	S	S	.	*	H	α-helix	trans	-81.5	-18.3	179.5	0	0	0	0	0	115.1	N949 A950 S955	N949-G952 PolarHBondContact O-N 3.07Å; A950-G952 PolarHBondContact O-N 2.93Å; G952-S955 PolarHBondContact O-OG 2.89Å
953	F	25.4	Very low	27.6	Very low	174 Å²	174	119.2 Å²	119.2	76%	0.763	63%	0.634	S	S	*	*	H	α-helix	trans	-95.7	-36.2	-171.3	-127.6	-87.4	0	0	0	113.4	A950 F957	A950-F953 PolarHBondContact O-N 3.27Å; F953-F957 WeakPolarHBondContact O-CB 3.48Å; F953-F957 PolarHBondContact O-N 3.03Å
954	T	28.5	Very low	28	Very low	92 Å²	92	117 Å²	117	56%	0.564	62%	0.622	S	S	*	*	H	α-helix	trans	-71.8	-34.3	177.6	44.1	0	0	0	0	112.8	L958	T954-L958 WeakPolarHBondContact O-CG 3.17Å; T954-L958 PolarHBondContact O-N 2.93Å
955	S	27.9	Very low	28.5	Very low	54 Å²	54	116 Å²	116	38%	0.378	61%	0.613	S	S	.	*	H	α-helix	trans	-64.5	-57.5	174.1	40.9	0	0	0	0	111.4	L951 G952 F957 L958 D959	L951-S955 PolarHBondContact O-OG 2.92Å; G952-S955 PolarHBondContact O-OG 2.89Å; S955-F957 PolarHBondContact O-N 3.46Å; S955-L958 PolarHBondContact O-N 3.13Å; S955-L958 VanDerWaalsContact O-N 3.09Å; S955-D959 PolarHBondContact O-N 3.05Å
956	A	26.7	Very low	29	Very low	59 Å²	59	112 Å²	112	49%	0.488	60%	0.603	S	S	.	*	H	α-helix	trans	-56.6	-35.1	179.5	0	0	0	0	0	113.7	S960	A956-S960 WeakPolarHBondContact O-CB 3.28Å; A956-S960 PolarHBondContact O-N 2.87Å; A956-S960 VanDerWaalsContact O-N 3.1Å
957	F	25.5	Very low	29.8	Very low	133 Å²	133	110.6 Å²	110.6	58%	0.583	59%	0.591	S	S	*	*	H	α-helix	trans	-68.3	-44.7	176.4	-170	-104.7	0	0	0	112.4	F953 S955 S960 L961	F953-F957 WeakPolarHBondContact O-CB 3.48Å; F953-F957 PolarHBondContact O-N 3.03Å; S955-F957 PolarHBondContact O-N 3.46Å; F957-S960 PolarHBondContact O-N 2.61Å; F957-S960 PolarHBondContact O-OG 3.04Å; F957-L961 HydrophobicContact CD1-CD1 3.98Å; F957-L961 HydrophobicContact CE1-CD1 3.52Å; F957-L961 HydrophobicContact CZ-CD1 3.95Å; F957-L961 PolarHBondContact O-N 3.4Å; F957-L961 VanDerWaalsContact O-N 3.14Å
958	L	29.1	Very low	30.2	Very low	104 Å²	104	109.3 Å²	109.3	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-69.2	-38.1	178.4	-71.8	169.2	0	0	0	112.8	T954 S955 L961 T962	T954-L958 WeakPolarHBondContact O-CG 3.17Å; T954-L958 PolarHBondContact O-N 2.93Å; S955-L958 PolarHBondContact O-N 3.13Å; S955-L958 VanDerWaalsContact O-N 3.09Å; L958-L961 PolarHBondContact O-N 3.4Å; L958-T962 PolarHBondContact O-N 3.3Å; L958-T962 PolarHBondContact O-OG1 3.35Å
959	D	28.7	Very low	30.5	Very low	105 Å²	105	105.9 Å²	105.9	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-61.4	-45	173.6	-68.9	-21.8	0	0	0	110.1	S955 L961 T962 E963	S955-D959 PolarHBondContact O-N 3.05Å; D959-L961 VanDerWaalsContact C-N 3.35Å; D959-L961 PolarHBondContact O-N 3.39Å; D959-T962 PolarHBondContact O-N 2.92Å; D959-T962 PolarHBondContact O-OG1 3.44Å; D959-T962 VanDerWaalsContact O-OG1 3.05Å; D959-E963 WeakPolarHBondContact O-CB 3.42Å; D959-E963 PolarHBondContact O-N 2.98Å
960	S	27.6	Very low	31.4	Very low	49 Å²	49	103 Å²	103	34%	0.343	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-34.2	178.1	78.4	0	0	0	0	114.1	A956 F957 N964	A956-S960 WeakPolarHBondContact O-CB 3.28Å; A956-S960 PolarHBondContact O-N 2.87Å; A956-S960 VanDerWaalsContact O-N 3.1Å; F957-S960 PolarHBondContact O-N 2.61Å; F957-S960 PolarHBondContact O-OG 3.04Å; S960-N964 WeakPolarHBondContact O-CB 3.26Å; S960-N964 PolarHBondContact O-N 3.25Å; S960-N964 PolarHBondContact O-ND2 3.06Å
961	L	28	Very low	32.1	Very low	93 Å²	93	105.4 Å²	105.4	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-75.2	-34	178	-93.9	164.7	0	0	0	112.5	F957 L958 D959 R965	F957-L961 HydrophobicContact CD1-CD1 3.98Å; F957-L961 HydrophobicContact CE1-CD1 3.52Å; F957-L961 HydrophobicContact CZ-CD1 3.95Å; F957-L961 PolarHBondContact O-N 3.4Å; F957-L961 VanDerWaalsContact O-N 3.14Å; L958-L961 PolarHBondContact O-N 3.4Å; D959-L961 VanDerWaalsContact C-N 3.35Å; D959-L961 PolarHBondContact O-N 3.39Å; L961-R965 WeakPolarHBondContact O-CB 3.43Å; L961-R965 PolarHBondContact O-N 2.95Å
962	T	32.4	Very low	32.5	Very low	84 Å²	84	103.6 Å²	103.6	52%	0.515	53%	0.532	S	S	.	.	H	α-helix	trans	-76.5	-39.7	176.2	49.2	0	0	0	0	111.7	L958 D959 R965 M966	L958-T962 PolarHBondContact O-N 3.3Å; L958-T962 PolarHBondContact O-OG1 3.35Å; D959-T962 PolarHBondContact O-N 2.92Å; D959-T962 PolarHBondContact O-OG1 3.44Å; D959-T962 VanDerWaalsContact O-OG1 3.05Å; T962-R965 PolarHBondContact O-N 3.14Å; T962-M966 WeakPolarHBondContact O-CB 3.03Å; T962-M966 PolarHBondContact O-N 3.49Å
963	E	33.2	Very low	33.1	Very low	124 Å²	124	107.5 Å²	107.5	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-66.3	-45	178.4	-170.8	168.1	-142.9	0	0	112.6	D959 R965 M966 Q967	D959-E963 WeakPolarHBondContact O-CB 3.42Å; D959-E963 PolarHBondContact O-N 2.98Å; E963-R965 VanDerWaalsContact C-N 3.35Å; E963-R965 PolarHBondContact O-N 3.33Å; E963-M966 PolarHBondContact O-N 2.94Å; E963-Q967 WeakPolarHBondContact O-CG 3.47Å; E963-Q967 PolarHBondContact O-N 3.32Å
964	N	33.7	Very low	34.1	Very low	104 Å²	104	105.7 Å²	105.7	56%	0.556	53%	0.529	S	S	*	.	H	α-helix	trans	-60.6	-43.1	174.8	-82.1	-71.6	0	0	0	112	S960 Q967 E968	S960-N964 WeakPolarHBondContact O-CB 3.26Å; S960-N964 PolarHBondContact O-N 3.25Å; S960-N964 PolarHBondContact O-ND2 3.06Å; N964-Q967 PolarHBondContact O-N 3.14Å; N964-E968 PolarHBondContact O-N 3.39Å
965	R	33.5	Very low	34.7	Very low	175 Å²	175	103 Å²	103	66%	0.66	51%	0.511	S	S	*	.	H	α-helix	trans	-67.6	-37.2	-180	-163.5	175.3	-168.9	170.7	4	112.1	L961 T962 E963 Q967 E968 E969	L961-R965 WeakPolarHBondContact O-CB 3.43Å; L961-R965 PolarHBondContact O-N 2.95Å; T962-R965 PolarHBondContact O-N 3.14Å; E963-R965 VanDerWaalsContact C-N 3.35Å; E963-R965 PolarHBondContact O-N 3.33Å; R965-Q967 VanDerWaalsContact C-N 3.35Å; R965-E968 PolarHBondContact O-N 3.19Å; R965-E969 WeakPolarHBondContact O-CG 3.47Å; R965-E969 PolarHBondContact O-N 3.1Å
966	M	36.1	Very low	35.2	Very low	110 Å²	110	106.4 Å²	106.4	54%	0.542	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-35.3	173.2	-143.3	-170.5	-52.5	0	0	111.5	T962 E963 E969 I970	T962-M966 WeakPolarHBondContact O-CB 3.03Å; T962-M966 PolarHBondContact O-N 3.49Å; E963-M966 PolarHBondContact O-N 2.94Å; M966-E969 PolarHBondContact O-N 2.88Å; M966-I970 HydrophobicContact CG-CD1 4.27Å; M966-I970 VanDerWaalsContact O-CB 3.28Å; M966-I970 WeakPolarHBondContact O-CB 3.35Å; M966-I970 WeakPolarHBondContact O-CD1 3.47Å; M966-I970 WeakPolarHBondContact O-CG1 3.35Å; M966-I970 PolarHBondContact O-N 3.29Å
967	Q	40.8	Very low	36.1	Very low	120 Å²	120	109 Å²	109	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-67.6	-39.6	172.6	-72.3	-170.5	34.7	0	0	112.6	E963 N964 R965 F971	E963-Q967 WeakPolarHBondContact O-CG 3.47Å; E963-Q967 PolarHBondContact O-N 3.32Å; N964-Q967 PolarHBondContact O-N 3.14Å; R965-Q967 VanDerWaalsContact C-N 3.35Å; Q967-F971 WeakPolarHBondContact O-CB 3.5Å; Q967-F971 PolarHBondContact O-N 3.42Å
968	E	35.3	Very low	36.9	Very low	115 Å²	115	104.6 Å²	104.6	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-43.7	171.6	-75.9	-168	138.1	0	0	111.9	N964 R965 F971 H972	N964-E968 PolarHBondContact O-N 3.39Å; R965-E968 PolarHBondContact O-N 3.19Å; E968-F971 PolarHBondContact O-N 3.39Å; E968-H972 WeakPolarHBondContact O-CB 3.46Å; E968-H972 PolarHBondContact O-CD2 3.14Å; E968-H972 VanDerWaalsContact O-CD2 3.24Å; E968-H972 PolarHBondContact O-N 2.77Å
969	E	36.6	Very low	37.6	Very low	117 Å²	117	106.8 Å²	106.8	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-40.4	176.5	-74.5	-173.5	150.1	0	0	112.4	R965 M966 F971 H972 Q973	R965-E969 WeakPolarHBondContact O-CG 3.47Å; R965-E969 PolarHBondContact O-N 3.1Å; M966-E969 PolarHBondContact O-N 2.88Å; E969-F971 VanDerWaalsContact C-N 3.34Å; E969-H972 PolarHBondContact O-N 2.96Å; E969-Q973 WeakPolarHBondContact O-CB 3.35Å; E969-Q973 WeakPolarHBondContact O-CG 3.35Å; E969-Q973 PolarHBondContact O-N 2.91Å
970	I	45.5	Very low	38.6	Very low	75 Å²	75	106 Å²	106	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-36.4	173.8	-70.9	165.5	0	0	0	111.1	M966 K974	M966-I970 HydrophobicContact CG-CD1 4.27Å; M966-I970 VanDerWaalsContact O-CB 3.28Å; M966-I970 WeakPolarHBondContact O-CB 3.35Å; M966-I970 WeakPolarHBondContact O-CD1 3.47Å; M966-I970 WeakPolarHBondContact O-CG1 3.35Å; M966-I970 PolarHBondContact O-N 3.29Å; I970-K974 HydrophobicContact CG2-CD 4.31Å; I970-K974 WeakPolarHBondContact O-CB 3.3Å; I970-K974 VanDerWaalsContact O-CG 3.31Å; I970-K974 WeakPolarHBondContact O-CG 3.4Å; I970-K974 PolarHBondContact O-N 3.19Å
971	F	42.8	Very low	39.3	Very low	131 Å²	131	107 Å²	107	58%	0.575	53%	0.529	S	S	*	.	H	α-helix	trans	-68.3	-44.4	175.9	-178.2	-107.4	0	0	0	111.5	Q967 E968 E969 K974 L975	Q967-F971 WeakPolarHBondContact O-CB 3.5Å; Q967-F971 PolarHBondContact O-N 3.42Å; E968-F971 PolarHBondContact O-N 3.39Å; E969-F971 VanDerWaalsContact C-N 3.34Å; F971-K974 PolarHBondContact O-N 2.8Å; F971-L975 HydrophobicContact CD1-CD1 3.86Å; F971-L975 HydrophobicContact CE1-CD1 3.42Å; F971-L975 VanDerWaalsContact CE1-CD1 3.42Å; F971-L975 HydrophobicContact CE2-CD1 4.37Å; F971-L975 HydrophobicContact CG-CD1 4.49Å; F971-L975 HydrophobicContact CZ-CD1 3.72Å; F971-L975 WeakPolarHBondContact O-CB 3.46Å; F971-L975 PolarHBondContact O-N 3.42Å
972	H	37.9	Very low	40.2	Very low	110 Å²	110	107.8 Å²	107.8	51%	0.509	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-41.5	173.9	-82.9	-67.4	0	0	0	112.4	E968 E969 L975 I976	E968-H972 WeakPolarHBondContact O-CB 3.46Å; E968-H972 PolarHBondContact O-CD2 3.14Å; E968-H972 VanDerWaalsContact O-CD2 3.24Å; E968-H972 PolarHBondContact O-N 2.77Å; E969-H972 PolarHBondContact O-N 2.96Å; H972-L975 CarbonylContact O-C 3.32Å; H972-L975 PolarHBondContact O-N 2.63Å; H972-I976 WeakPolarHBondContact O-CB 3.48Å; H972-I976 WeakPolarHBondContact O-CD1 3.29Å; H972-I976 VanDerWaalsContact O-CG1 3.24Å; H972-I976 WeakPolarHBondContact O-CG1 3.46Å; H972-I976 PolarHBondContact O-N 3.33Å
973	Q	39.8	Very low	41.2	Very low	130 Å²	130	109.6 Å²	109.6	61%	0.607	54%	0.536	S	S	*	.	H	α-helix	trans	-66.4	-35.8	174.6	-77.4	-177.5	-16.9	0	0	112.2	E969 I976 T977	E969-Q973 WeakPolarHBondContact O-CB 3.35Å; E969-Q973 WeakPolarHBondContact O-CG 3.35Å; E969-Q973 PolarHBondContact O-N 2.91Å; Q973-I976 PolarHBondContact O-N 2.81Å; Q973-T977 WeakPolarHBondContact O-CB 3.48Å; Q973-T977 WeakPolarHBondContact O-CG2 3.43Å; Q973-T977 PolarHBondContact O-N 2.87Å; Q973-T977 PolarHBondContact O-OG1 2.91Å
974	K	46	Very low	41.9	Very low	136 Å²	136	107 Å²	107	59%	0.591	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-47.5	169.8	-80.7	176.2	177.6	178.3	0	111.6	I970 F971 I976 T977 S978	I970-K974 HydrophobicContact CG2-CD 4.31Å; I970-K974 WeakPolarHBondContact O-CB 3.3Å; I970-K974 VanDerWaalsContact O-CG 3.31Å; I970-K974 WeakPolarHBondContact O-CG 3.4Å; I970-K974 PolarHBondContact O-N 3.19Å; F971-K974 PolarHBondContact O-N 2.8Å; K974-I976 PolarHBondContact O-N 3.45Å; K974-T977 PolarHBondContact O-N 2.95Å; K974-T977 VanDerWaalsContact O-N 3.09Å; K974-T977 PolarHBondContact O-OG1 2.84Å; K974-S978 PolarHBondContact O-N 2.81Å; K974-S978 PolarHBondContact O-OG 2.89Å
975	L	40.6	Very low	42.5	Very low	36 Å²	36	106.9 Å²	106.9	19%	0.188	53%	0.525	C	S	.	.	H	α-helix	trans	-61.5	-21.7	174.4	-89.5	160.4	0	0	0	114.1	F971 H972 L981 L984	F971-L975 HydrophobicContact CD1-CD1 3.86Å; F971-L975 HydrophobicContact CE1-CD1 3.42Å; F971-L975 VanDerWaalsContact CE1-CD1 3.42Å; F971-L975 HydrophobicContact CE2-CD1 4.37Å; F971-L975 HydrophobicContact CG-CD1 4.49Å; F971-L975 HydrophobicContact CZ-CD1 3.72Å; F971-L975 WeakPolarHBondContact O-CB 3.46Å; F971-L975 PolarHBondContact O-N 3.42Å; H972-L975 CarbonylContact O-C 3.32Å; H972-L975 PolarHBondContact O-N 2.63Å; L975-L981 HydrophobicContact CB-CD1 4.3Å; L975-L981 HydrophobicContact CD2-CD1 4.19Å; L975-L981 WeakPolarHBondContact O-CB 3.33Å; L975-L984 HydrophobicContact CD2-CD1 4.42Å
976	I	39.2	Very low	43.6	Very low	124 Å²	124	103 Å²	103	64%	0.636	52%	0.517	S	S	*	.	H	α-helix	trans	-92.6	-20.4	175.9	-69.2	163.5	0	0	0	111.9	H972 Q973 K974	H972-I976 WeakPolarHBondContact O-CB 3.48Å; H972-I976 WeakPolarHBondContact O-CD1 3.29Å; H972-I976 VanDerWaalsContact O-CG1 3.24Å; H972-I976 WeakPolarHBondContact O-CG1 3.46Å; H972-I976 PolarHBondContact O-N 3.33Å; Q973-I976 PolarHBondContact O-N 2.81Å; K974-I976 PolarHBondContact O-N 3.45Å
977	T	45.5	Very low	44.7	Very low	115 Å²	115	103.2 Å²	103.2	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-105.9	-17.2	-176.3	50.9	0	0	0	0	114.6	Q973 K974	Q973-T977 WeakPolarHBondContact O-CB 3.48Å; Q973-T977 WeakPolarHBondContact O-CG2 3.43Å; Q973-T977 PolarHBondContact O-N 2.87Å; Q973-T977 PolarHBondContact O-OG1 2.91Å; K974-T977 PolarHBondContact O-N 2.95Å; K974-T977 VanDerWaalsContact O-N 3.09Å; K974-T977 PolarHBondContact O-OG1 2.84Å
978	S	43.2	Very low	44.9	Very low	40 Å²	40	105.3 Å²	105.3	28%	0.28	52%	0.519	S	S	.	.	S	Bend	trans	-87.4	143.6	156.6	67.3	0	0	0	0	110.1	K974 D980	K974-S978 PolarHBondContact O-N 2.81Å; K974-S978 PolarHBondContact O-OG 2.89Å; S978-D980 WeakPolarHBondContact CB-OD2 3.15Å; S978-D980 PolarHBondContact O-N 3.25Å; S978-D980 PolarHBondContact OG-OD2 3.11Å
979	N	42.7	Very low	45.6	Very low	150 Å²	150	104 Å²	104	80%	0.802	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-1.5	177.8	-79.4	-20.2	0	0	0	113.3	L981 N982	N979-L981 PolarHBondContact O-N 2.89Å; N979-L981 VanDerWaalsContact O-N 3.12Å; N979-N982 PolarHBondContact O-N 3.35Å
980	D	50	Low	46.8	Very low	88 Å²	88	102.7 Å²	102.7	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-59.4	-23.5	-177.1	-46.1	-28.5	0	0	0	112.8	S978 N982 E983 L984	S978-D980 WeakPolarHBondContact CB-OD2 3.15Å; S978-D980 PolarHBondContact O-N 3.25Å; S978-D980 PolarHBondContact OG-OD2 3.11Å; D980-N982 VanDerWaalsContact C-N 3.27Å; D980-N982 PolarHBondContact O-N 2.85Å; D980-E983 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-CB 3.28Å; D980-L984 WeakPolarHBondContact O-CB 3.2Å; D980-L984 PolarHBondContact O-N 3.03Å
981	L	41.9	Very low	47.3	Very low	71 Å²	71	106.4 Å²	106.4	37%	0.372	53%	0.525	S	S	.	.	H	α-helix	trans	-55.6	-43	-178.9	-160.9	76.9	0	0	0	112.2	L975 N979 L985	L975-L981 HydrophobicContact CB-CD1 4.3Å; L975-L981 HydrophobicContact CD2-CD1 4.19Å; L975-L981 WeakPolarHBondContact O-CB 3.33Å; N979-L981 PolarHBondContact O-N 2.89Å; N979-L981 VanDerWaalsContact O-N 3.12Å; L981-L985 HydrophobicContact CD2-CD1 4.49Å; L981-L985 HydrophobicContact CG-CD1 4.21Å; L981-L985 VanDerWaalsContact O-CB 3.3Å; L981-L985 WeakPolarHBondContact O-CB 3.38Å; L981-L985 VanDerWaalsContact O-CG 3.22Å; L981-L985 WeakPolarHBondContact O-CG 3.33Å; L981-L985 PolarHBondContact O-N 3.34Å
982	N	46.5	Very low	47.2	Very low	109 Å²	109	105.1 Å²	105.1	58%	0.583	52%	0.523	S	S	*	.	H	α-helix	trans	-68.7	-44.3	180	-71.6	-15.1	0	0	0	110.8	N979 D980 L984 L985 D986	N979-N982 PolarHBondContact O-N 3.35Å; D980-N982 VanDerWaalsContact C-N 3.27Å; D980-N982 PolarHBondContact O-N 2.85Å; N982-L984 VanDerWaalsContact C-N 3.34Å; N982-L984 PolarHBondContact O-N 3.13Å; N982-L985 PolarHBondContact O-N 3.01Å; N982-D986 PolarHBondContact O-N 3.36Å
983	E	54.9	Low	47.9	Very low	121 Å²	121	106.3 Å²	106.3	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-65.3	-38.1	177.9	-159.9	-170.1	153.4	0	0	111.7	D980 D986 Q987	D980-E983 PolarHBondContact O-N 3.48Å; E983-D986 PolarHBondContact O-N 3.21Å; E983-Q987 WeakPolarHBondContact O-CB 3.36Å; E983-Q987 VanDerWaalsContact O-CG 3.24Å; E983-Q987 WeakPolarHBondContact O-CG 3.46Å; E983-Q987 PolarHBondContact O-N 3.23Å; E983-Q987 PolarHBondContact OE1-NE2 3.44Å
984	L	47.6	Very low	48.7	Very low	71 Å²	71	107.2 Å²	107.2	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-72.4	-33.1	178.2	-146.8	165.9	0	0	0	111.3	L975 D980 N982 R988	L975-L984 HydrophobicContact CD2-CD1 4.42Å; D980-L984 VanDerWaalsContact O-CB 3.28Å; D980-L984 WeakPolarHBondContact O-CB 3.2Å; D980-L984 PolarHBondContact O-N 3.03Å; N982-L984 VanDerWaalsContact C-N 3.34Å; N982-L984 PolarHBondContact O-N 3.13Å; L984-R988 HydrophobicContact CD2-CG 4.23Å; L984-R988 VanDerWaalsContact CD2-NE 3.31Å; L984-R988 WeakPolarHBondContact O-CB 3.49Å; L984-R988 VanDerWaalsContact O-CG 3.25Å; L984-R988 WeakPolarHBondContact O-CG 3.49Å; L984-R988 PolarHBondContact O-N 3.15Å; L984-R988 VanDerWaalsContact O-N 3.07Å
985	L	45.7	Very low	48.6	Very low	101 Å²	101	105.8 Å²	105.8	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-48.4	169	-78.4	167.9	0	0	0	111.4	L981 N982 R988 L989	L981-L985 HydrophobicContact CD2-CD1 4.49Å; L981-L985 HydrophobicContact CG-CD1 4.21Å; L981-L985 VanDerWaalsContact O-CB 3.3Å; L981-L985 WeakPolarHBondContact O-CB 3.38Å; L981-L985 VanDerWaalsContact O-CG 3.22Å; L981-L985 WeakPolarHBondContact O-CG 3.33Å; L981-L985 PolarHBondContact O-N 3.34Å; N982-L985 PolarHBondContact O-N 3.01Å; L985-R988 CarbonylContact O-C 3.58Å; L985-R988 WeakPolarHBondContact O-CB 3.49Å; L985-R988 PolarHBondContact O-N 3.5Å; L985-R988 VanDerWaalsContact O-N 3.17Å; L985-L989 WeakPolarHBondContact O-CB 3.42Å; L985-L989 PolarHBondContact O-N 3.11Å
986	D	55.8	Low	48.5	Very low	93 Å²	93	113.1 Å²	113.1	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-45.4	176.9	-89.7	-28.4	0	0	0	112.1	N982 E983 R988 L989 I990	N982-D986 PolarHBondContact O-N 3.36Å; E983-D986 PolarHBondContact O-N 3.21Å; D986-R988 VanDerWaalsContact C-N 3.27Å; D986-R988 PolarHBondContact O-N 3.4Å; D986-L989 PolarHBondContact O-N 3.18Å; D986-L989 VanDerWaalsContact O-N 3.14Å; D986-I990 WeakPolarHBondContact O-CB 3.3Å; D986-I990 VanDerWaalsContact O-CG1 3.24Å; D986-I990 WeakPolarHBondContact O-CG1 3.29Å; D986-I990 PolarHBondContact O-N 3.26Å
987	Q	59.7	Low	48.9	Very low	114 Å²	114	111.9 Å²	111.9	53%	0.533	55%	0.547	S	S	.	.	H	α-helix	trans	-59.6	-38	174.8	-74.1	-176.4	28.3	0	0	111.6	E983 K991	E983-Q987 WeakPolarHBondContact O-CB 3.36Å; E983-Q987 VanDerWaalsContact O-CG 3.24Å; E983-Q987 WeakPolarHBondContact O-CG 3.46Å; E983-Q987 PolarHBondContact O-N 3.23Å; E983-Q987 PolarHBondContact OE1-NE2 3.44Å; Q987-K991 VanDerWaalsContact O-CB 3.28Å; Q987-K991 WeakPolarHBondContact O-CB 3.25Å; Q987-K991 PolarHBondContact O-N 2.83Å; Q987-K991 VanDerWaalsContact O-N 3.09Å
988	R	44.8	Very low	48.8	Very low	165 Å²	165	109.3 Å²	109.3	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-69	-41.4	173	-77	176.1	179	-157.5	2	112.2	L984 L985 D986 K991 L992	L984-R988 HydrophobicContact CD2-CG 4.23Å; L984-R988 VanDerWaalsContact CD2-NE 3.31Å; L984-R988 WeakPolarHBondContact O-CB 3.49Å; L984-R988 VanDerWaalsContact O-CG 3.25Å; L984-R988 WeakPolarHBondContact O-CG 3.49Å; L984-R988 PolarHBondContact O-N 3.15Å; L984-R988 VanDerWaalsContact O-N 3.07Å; L985-R988 CarbonylContact O-C 3.58Å; L985-R988 WeakPolarHBondContact O-CB 3.49Å; L985-R988 PolarHBondContact O-N 3.5Å; L985-R988 VanDerWaalsContact O-N 3.17Å; D986-R988 VanDerWaalsContact C-N 3.27Å; D986-R988 PolarHBondContact O-N 3.4Å; R988-K991 PolarHBondContact O-N 3.38Å; R988-L992 WeakPolarHBondContact O-CB 3.4Å; R988-L992 PolarHBondContact O-N 3.28Å
989	L	51.7	Low	48.6	Very low	88 Å²	88	113.5 Å²	113.5	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-43.7	179.1	-160.6	81.9	0	0	0	111.3	L985 D986 K991 L992 K993	L985-L989 WeakPolarHBondContact O-CB 3.42Å; L985-L989 PolarHBondContact O-N 3.11Å; D986-L989 PolarHBondContact O-N 3.18Å; D986-L989 VanDerWaalsContact O-N 3.14Å; L989-K991 VanDerWaalsContact C-N 3.33Å; L989-K991 PolarHBondContact O-N 3.25Å; L989-L992 PolarHBondContact O-N 3.26Å; L989-K993 WeakPolarHBondContact O-CB 3.36Å; L989-K993 WeakPolarHBondContact O-CG 3.26Å; L989-K993 PolarHBondContact O-N 3.2Å
990	I	60.6	Low	48.5	Very low	89 Å²	89	109.6 Å²	109.6	46%	0.456	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-40.8	173.9	-68.7	164.8	0	0	0	110.6	D986 K993 K994	D986-I990 WeakPolarHBondContact O-CB 3.3Å; D986-I990 VanDerWaalsContact O-CG1 3.24Å; D986-I990 WeakPolarHBondContact O-CG1 3.29Å; D986-I990 PolarHBondContact O-N 3.26Å; I990-K993 PolarHBondContact O-N 2.98Å; I990-K994 HydrophobicContact CG2-CD 4.36Å; I990-K994 WeakPolarHBondContact O-CB 3.24Å; I990-K994 WeakPolarHBondContact O-CG 3.41Å; I990-K994 PolarHBondContact O-N 3.28Å
991	K	55.5	Low	47.9	Very low	152 Å²	152	113.6 Å²	113.6	66%	0.661	56%	0.559	S	S	*	*	H	α-helix	trans	-68.5	-37.1	178	-156.8	169.5	-169.2	173.5	0	112	Q987 R988 L989 L995	Q987-K991 VanDerWaalsContact O-CB 3.28Å; Q987-K991 WeakPolarHBondContact O-CB 3.25Å; Q987-K991 PolarHBondContact O-N 2.83Å; Q987-K991 VanDerWaalsContact O-N 3.09Å; R988-K991 PolarHBondContact O-N 3.38Å; L989-K991 VanDerWaalsContact C-N 3.33Å; L989-K991 PolarHBondContact O-N 3.25Å; K991-L995 WeakPolarHBondContact O-CG 3.41Å; K991-L995 PolarHBondContact O-N 3.14Å
992	L	42.4	Very low	47.7	Very low	105 Å²	105	113.7 Å²	113.7	55%	0.55	57%	0.57	S	S	.	*	H	α-helix	trans	-66.2	-48	170.8	-85.4	163.6	0	0	0	112.1	R988 L989 K994 L995 Y996	R988-L992 WeakPolarHBondContact O-CB 3.4Å; R988-L992 PolarHBondContact O-N 3.28Å; L989-L992 PolarHBondContact O-N 3.26Å; L992-K994 VanDerWaalsContact C-N 3.3Å; L992-K994 PolarHBondContact O-N 3.09Å; L992-L995 PolarHBondContact O-N 2.94Å; L992-L995 VanDerWaalsContact O-N 3.14Å; L992-Y996 WeakPolarHBondContact O-CB 3.5Å; L992-Y996 PolarHBondContact O-N 3.27Å
993	K	51.5	Low	46.9	Very low	135 Å²	135	118 Å²	118	59%	0.587	58%	0.584	S	S	*	*	H	α-helix	trans	-56.1	-43.8	174.8	-76.8	-177.4	176.3	-177.3	0	111.3	L989 I990 Y996 I997	L989-K993 WeakPolarHBondContact O-CB 3.36Å; L989-K993 WeakPolarHBondContact O-CG 3.26Å; L989-K993 PolarHBondContact O-N 3.2Å; I990-K993 PolarHBondContact O-N 2.98Å; K993-Y996 PolarHBondContact O-N 2.89Å; K993-I997 VanDerWaalsContact O-CG1 3.29Å; K993-I997 WeakPolarHBondContact O-CG1 3.07Å; K993-I997 PolarHBondContact O-N 3.12Å
994	K	57.8	Low	45.8	Very low	148 Å²	148	117 Å²	117	64%	0.643	59%	0.59	S	S	*	*	H	α-helix	trans	-63.4	-40.6	175.5	-75.3	-179.1	179.8	-177.5	0	113.3	I990 L992 A998	I990-K994 HydrophobicContact CG2-CD 4.36Å; I990-K994 WeakPolarHBondContact O-CB 3.24Å; I990-K994 WeakPolarHBondContact O-CG 3.41Å; I990-K994 PolarHBondContact O-N 3.28Å; L992-K994 VanDerWaalsContact C-N 3.3Å; L992-K994 PolarHBondContact O-N 3.09Å; K994-A998 VanDerWaalsContact O-CB 3.3Å; K994-A998 WeakPolarHBondContact O-CB 3.45Å; K994-A998 PolarHBondContact O-N 3.41Å
995	L	44	Very low	45	Very low	106 Å²	106	120.9 Å²	120.9	56%	0.555	62%	0.616	S	S	*	*	H	α-helix	trans	-66.1	-38.7	174.2	-79.8	164.7	0	0	0	112.5	K991 L992 A998 N999	K991-L995 WeakPolarHBondContact O-CG 3.41Å; K991-L995 PolarHBondContact O-N 3.14Å; L992-L995 PolarHBondContact O-N 2.94Å; L992-L995 VanDerWaalsContact O-N 3.14Å; L995-A998 PolarHBondContact O-N 3.07Å; L995-N999 PolarHBondContact O-N 3.05Å
996	Y	36.9	Very low	44.1	Very low	190 Å²	190	119.1 Å²	119.1	75%	0.745	62%	0.622	S	S	*	*	H	α-helix	trans	-66.9	-46.1	179	-151.3	-87.8	0	0	0	111.4	L992 K993 A998 N999 A1000	L992-Y996 WeakPolarHBondContact O-CB 3.5Å; L992-Y996 PolarHBondContact O-N 3.27Å; K993-Y996 PolarHBondContact O-N 2.89Å; Y996-A998 PolarHBondContact O-N 2.87Å; Y996-N999 PolarHBondContact O-N 3.19Å; Y996-A1000 WeakPolarHBondContact O-CB 3.49Å; Y996-A1000 PolarHBondContact O-N 2.8Å
997	I	47.7	Very low	42.6	Very low	99 Å²	99	122.6 Å²	122.6	51%	0.508	64%	0.641	S	S	.	*	H	α-helix	trans	-61.4	-44.1	174.6	-66.6	164.9	0	0	0	110.8	K993 N999 A1000 F1001	K993-I997 VanDerWaalsContact O-CG1 3.29Å; K993-I997 WeakPolarHBondContact O-CG1 3.07Å; K993-I997 PolarHBondContact O-N 3.12Å; I997-N999 VanDerWaalsContact C-N 3.34Å; I997-N999 PolarHBondContact O-N 3.41Å; I997-A1000 PolarHBondContact O-N 3.33Å; I997-F1001 HydrophobicContact CG2-CD2 3.93Å; I997-F1001 HydrophobicContact CG2-CE2 4.06Å; I997-F1001 WeakPolarHBondContact O-CD2 3.29Å; I997-F1001 PolarHBondContact O-N 3.07Å; I997-F1001 VanDerWaalsContact O-N 3.13Å
998	A	44.2	Very low	41.1	Very low	61 Å²	61	122.8 Å²	122.8	50%	0.504	65%	0.654	S	S	.	*	H	α-helix	trans	-61.2	-39.1	178.3	0	0	0	0	0	112.9	K994 L995 Y996	K994-A998 VanDerWaalsContact O-CB 3.3Å; K994-A998 WeakPolarHBondContact O-CB 3.45Å; K994-A998 PolarHBondContact O-N 3.41Å; L995-A998 PolarHBondContact O-N 3.07Å; Y996-A998 PolarHBondContact O-N 2.87Å
999	N	39.6	Very low	40.1	Very low	128 Å²	128	123.5 Å²	123.5	68%	0.684	67%	0.67	S	S	*	*	H	α-helix	trans	-74	-35.1	174.7	-83.7	-10.5	0	0	0	113	L995 Y996 I997 A1002	L995-N999 PolarHBondContact O-N 3.05Å; Y996-N999 PolarHBondContact O-N 3.19Å; I997-N999 VanDerWaalsContact C-N 3.34Å; I997-N999 PolarHBondContact O-N 3.41Å; N999-A1002 WeakPolarHBondContact O-CB 3.34Å; N999-A1002 PolarHBondContact O-N 3.32Å
1000	A	38.9	Very low	38.9	Very low	67 Å²	67	126.3 Å²	126.3	55%	0.554	68%	0.681	S	S	*	*	H	α-helix	trans	-63.7	-40.6	178.9	0	0	0	0	0	112.3	Y996 I997 A1002	Y996-A1000 WeakPolarHBondContact O-CB 3.49Å; Y996-A1000 PolarHBondContact O-N 2.8Å; I997-A1000 PolarHBondContact O-N 3.33Å; A1000-A1002 VanDerWaalsContact C-N 3.26Å; A1000-A1002 PolarHBondContact O-N 3.17Å
1001	F	37.8	Very low	37.3	Very low	173 Å²	173	134.3 Å²	134.3	76%	0.759	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-12.5	175.7	-85.2	-83.2	0	0	0	114.3	I997	I997-F1001 HydrophobicContact CG2-CD2 3.93Å; I997-F1001 HydrophobicContact CG2-CE2 4.06Å; I997-F1001 WeakPolarHBondContact O-CD2 3.29Å; I997-F1001 PolarHBondContact O-N 3.07Å; I997-F1001 VanDerWaalsContact O-N 3.13Å
1002	A	37.5	Very low	35.9	Very low	73 Å²	73	137 Å²	137	60%	0.603	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-6.2	-172.8	0	0	0	0	0	115.2	N999 A1000	N999-A1002 WeakPolarHBondContact O-CB 3.34Å; N999-A1002 PolarHBondContact O-N 3.32Å; A1000-A1002 VanDerWaalsContact C-N 3.26Å; A1000-A1002 PolarHBondContact O-N 3.17Å
1003	K	31.2	Very low	35.1	Very low	199 Å²	199	137.1 Å²	137.1	87%	0.865	72%	0.718	S	S	*	*			trans	-136.4	87.5	176.3	-77.6	-166.5	172.7	-171.7	0	112.5
1004	S	31.2	Very low	33.8	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	73%	0.734	S	S	*	*			trans	-118.8	147.4	158.4	61.9	0	0	0	0	109.5
1005	V	29.8	Very low	32.2	Very low	152 Å²	152	136.1 Å²	136.1	92%	0.921	74%	0.74	S	S	*	*	S	Bend	trans	67.8	118.1	178.6	-167.3	0	0	0	0	116.1
1006	G	27.4	Very low	31.3	Very low	63 Å²	63	138.4 Å²	138.4	65%	0.649	75%	0.751	S	S	*	*			trans	107.6	96.7	155	0	0	0	0	0	117.9
1007	D	25.3	Very low	30.8	Very low	167 Å²	167	135.9 Å²	135.9	89%	0.893	76%	0.756	S	S	*	*			trans	58.8	-177.8	152.9	-69.3	-39.7	0	0	0	120.6
1008	C	27.2	Very low	29.8	Very low	118 Å²	118	136.3 Å²	136.3	80%	0.797	77%	0.765	S	S	*	*			trans	81.8	111.8	173.7	-62.2	0	0	0	0	118.4	E1010	C1008-E1010 PolarHBondContact O-N 2.89Å
1009	N	24	Very low	29	Very low	179 Å²	179	139.8 Å²	139.8	96%	0.957	78%	0.78	S	S	*	*			trans	-76.3	77.9	172.6	-76.6	-61.1	0	0	0	112.4
1010	E	27.6	Very low	28.3	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	77%	0.773	S	S	*	*			trans	-131.7	113.4	168.4	-71.4	-167.8	-178	0	0	112.3	C1008 W1012	C1008-E1010 PolarHBondContact O-N 2.89Å; E1010-W1012 PolarHBondContact OE2-NE1 3.08Å; E1010-W1012 VanDerWaalsContact OE2-NE1 3.11Å
1011	R	27	Very low	27.8	Very low	257 Å²	257	139.1 Å²	139.1	97%	0.97	77%	0.771	S	S	*	*			trans	-93.9	99.9	165.5	-89.7	-171.1	171.1	-174.1	-2.5	110.1
1012	W	24.2	Very low	27.5	Very low	208 Å²	208	138.9 Å²	138.9	79%	0.788	77%	0.772	S	S	*	*			trans	-68.3	150.1	169.6	-83.2	42.7	0	0	0	111.8	E1010	E1010-W1012 PolarHBondContact OE2-NE1 3.08Å; E1010-W1012 VanDerWaalsContact OE2-NE1 3.11Å
1013	P	26.2	Very low	27.1	Very low	107 Å²	107	141 Å²	141	70%	0.695	77%	0.77	S	S	*	*			trans	-77.7	136.7	-179.1	31.3	-34.7	0	0	0	112.3	V1015	P1013-V1015 PolarHBondContact O-N 3.41Å
1014	C	24.9	Very low	27.1	Very low	138 Å²	138	134.3 Å²	134.3	93%	0.932	75%	0.747	S	S	*	*			trans	-77.6	90.5	174.7	-67.6	0	0	0	0	111.1
1015	V	23.9	Very low	27.1	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	73%	0.731	S	S	*	*			trans	-95.3	110.8	166.2	178.3	0	0	0	0	108.8	P1013	P1013-V1015 PolarHBondContact O-N 3.41Å
1016	L	23.9	Very low	27.1	Very low	154 Å²	154	129.6 Å²	129.6	81%	0.806	72%	0.715	S	S	*	*			trans	171.4	102.4	147.8	-97.4	162.9	0	0	0	111.2
1017	T	27.1	Very low	27.3	Very low	138 Å²	138	130.5 Å²	130.5	85%	0.847	71%	0.711	S	S	*	*			trans	-135	124.2	151.3	23.2	0	0	0	0	107.8
1018	P	28	Very low	27.5	Very low	107 Å²	107	128.5 Å²	128.5	70%	0.695	70%	0.7	S	S	*	*			trans	-76.6	154.7	-178.9	32	-34.8	0	0	0	111.4	L1020	P1018-L1020 PolarHBondContact O-N 3.04Å
1019	V	26.6	Very low	27.8	Very low	135 Å²	135	131.1 Å²	131.1	82%	0.818	70%	0.697	S	S	*	*			trans	-73.4	109	173.8	178.8	0	0	0	0	109.5
1020	L	25.1	Very low	28.1	Very low	102 Å²	102	131 Å²	131	53%	0.534	69%	0.692	S	S	.	*			trans	-133	145.4	162.6	-78.8	172.8	0	0	0	108.6	P1018 V1025	P1018-L1020 PolarHBondContact O-N 3.04Å; L1020-V1025 HydrophobicContact CB-CG2 3.96Å
1021	P	28.8	Very low	28.1	Very low	79 Å²	79	128.4 Å²	128.4	51%	0.513	69%	0.69	S	S	.	*			trans	-63.7	143	171	-18.3	31.8	0	0	0	111.1	E1023 C1024 V1025	P1021-E1023 PolarHBondContact O-N 2.92Å; P1021-C1024 WeakPolarHBondContact O-CB 3.42Å; P1021-C1024 PolarHBondContact O-N 3.11Å; P1021-V1025 PolarHBondContact O-N 3.25Å
1022	E	30.4	Very low	28.3	Very low	168 Å²	168	123.3 Å²	123.3	79%	0.785	68%	0.677	S	S	*	*	H	α-helix	trans	-64	-25.2	-176.3	-64.9	-178.8	125.7	0	0	113.1	C1024 V1025 T1026	E1022-C1024 VanDerWaalsContact C-N 3.26Å; E1022-C1024 PolarHBondContact O-N 3.42Å; E1022-V1025 PolarHBondContact O-N 3.4Å; E1022-T1026 PolarHBondContact O-N 3.39Å; E1022-T1026 PolarHBondContact O-OG1 3.34Å
1023	E	30.4	Very low	28.5	Very low	118 Å²	118	119.7 Å²	119.7	55%	0.551	68%	0.682	S	S	*	*	H	α-helix	trans	-63.3	-26.4	170.7	-60.8	-179.9	149.4	0	0	113.2	P1021 S1027	P1021-E1023 PolarHBondContact O-N 2.92Å; E1023-S1027 PolarHBondContact O-OG 3.37Å; E1023-S1027 VanDerWaalsContact O-OG 3.12Å
1024	C	29.8	Very low	28.6	Very low	58 Å²	58	121.8 Å²	121.8	39%	0.392	68%	0.677	S	S	.	*	H	α-helix	trans	-88.7	-25.8	173.9	-67.4	0	0	0	0	112.7	P1021 E1022 S1027	P1021-C1024 WeakPolarHBondContact O-CB 3.42Å; P1021-C1024 PolarHBondContact O-N 3.11Å; E1022-C1024 VanDerWaalsContact C-N 3.26Å; E1022-C1024 PolarHBondContact O-N 3.42Å; C1024-S1027 PolarHBondContact O-OG 3.22Å
1025	V	30.6	Very low	29.1	Very low	61 Å²	61	119 Å²	119	37%	0.37	66%	0.656	S	S	.	*	H	α-helix	trans	-77.7	-38.3	-180	-178.5	0	0	0	0	110.9	L1020 P1021 E1022 S1027 L1028 F1029	L1020-V1025 HydrophobicContact CB-CG2 3.96Å; P1021-V1025 PolarHBondContact O-N 3.25Å; E1022-V1025 PolarHBondContact O-N 3.4Å; V1025-S1027 VanDerWaalsContact C-N 3.3Å; V1025-S1027 PolarHBondContact O-N 3.5Å; V1025-L1028 PolarHBondContact O-N 3.34Å; V1025-F1029 HydrophobicContact CG1-CD2 4.19Å; V1025-F1029 HydrophobicContact CG1-CE2 4.44Å
1026	T	31.6	Very low	29.4	Very low	93 Å²	93	117.5 Å²	117.5	57%	0.571	66%	0.656	S	S	*	*	H	α-helix	trans	-69.2	-22.7	179.9	42.2	0	0	0	0	114.3	E1022	E1022-T1026 PolarHBondContact O-N 3.39Å; E1022-T1026 PolarHBondContact O-OG1 3.34Å
1027	S	31.3	Very low	29.9	Very low	81 Å²	81	119.2 Å²	119.2	57%	0.566	66%	0.66	S	S	*	*	H	α-helix	trans	-89	-19.7	177.7	42.7	0	0	0	0	114.2	E1023 C1024 V1025	E1023-S1027 PolarHBondContact O-OG 3.37Å; E1023-S1027 VanDerWaalsContact O-OG 3.12Å; C1024-S1027 PolarHBondContact O-OG 3.22Å; V1025-S1027 VanDerWaalsContact C-N 3.3Å; V1025-S1027 PolarHBondContact O-N 3.5Å
1028	L	29.5	Very low	30.6	Very low	126 Å²	126	118.2 Å²	118.2	66%	0.66	65%	0.646	S	S	*	*	H	α-helix	trans	-93.1	-11	-178.8	-81.6	167.7	0	0	0	115	V1025	V1025-L1028 PolarHBondContact O-N 3.34Å
1029	F	32.8	Very low	30.8	Very low	172 Å²	172	123 Å²	123	75%	0.754	67%	0.665	S	S	*	*	S	Bend	trans	-115.7	19	-177	-78.1	-81.9	0	0	0	114.3	V1025	V1025-F1029 HydrophobicContact CG1-CD2 4.19Å; V1025-F1029 HydrophobicContact CG1-CE2 4.44Å
1030	Q	29.7	Very low	31	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	66%	0.657	S	S	*	*	S	Bend	trans	-89.8	13.1	177.5	-82.8	-170.5	-9.2	0	0	115
1031	S	29.2	Very low	31.3	Very low	93 Å²	93	123.5 Å²	123.5	65%	0.65	66%	0.664	S	S	*	*	S	Bend	trans	-137.5	144.1	175.3	55.1	0	0	0	0	111.7
1032	E	30.1	Very low	31.5	Very low	150 Å²	150	126 Å²	126	70%	0.701	67%	0.672	S	S	*	*			trans	70.7	86.8	179.9	-58	-176.5	-170.3	0	0	115.9	Y1034	E1032-Y1034 HydrophobicContact CB-CD2 4.36Å; E1032-Y1034 HydrophobicContact CB-CE2 3.86Å; E1032-Y1034 PolarHBondContact O-N 3.41Å; E1032-Y1034 PolarHBondContact OE2-OH 3.16Å
1033	C	28	Very low	31.5	Very low	132 Å²	132	123.5 Å²	123.5	89%	0.892	67%	0.665	S	S	*	*			trans	-78.8	111.4	162.1	-59.7	0	0	0	0	109.9
1034	Y	29.2	Very low	31.6	Very low	150 Å²	150	123.9 Å²	123.9	59%	0.588	67%	0.672	S	S	*	*			trans	-91.8	148.1	163.1	-71.6	-83.8	0	0	0	110.5	E1032	E1032-Y1034 HydrophobicContact CB-CD2 4.36Å; E1032-Y1034 HydrophobicContact CB-CE2 3.86Å; E1032-Y1034 PolarHBondContact O-N 3.41Å; E1032-Y1034 PolarHBondContact OE2-OH 3.16Å
1035	T	35.8	Very low	31.7	Very low	80 Å²	80	128.3 Å²	128.3	49%	0.491	69%	0.691	S	S	.	*			trans	-91.9	162.1	-176.5	63.4	0	0	0	0	112.3	E1037 E1038	T1035-E1037 PolarHBondContact O-N 3.22Å; T1035-E1038 WeakPolarHBondContact CB-OE2 3.05Å; T1035-E1038 PolarHBondContact N-OE2 3.37Å; T1035-E1038 WeakPolarHBondContact O-CB 3.35Å; T1035-E1038 PolarHBondContact O-N 3.04Å; T1035-E1038 PolarHBondContact OG1-OE2 2.74Å
1036	A	30	Very low	31.8	Very low	93 Å²	93	133.1 Å²	133.1	77%	0.769	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	7.4	-175.6	0	0	0	0	0	114.9
1037	E	34.1	Very low	31.8	Very low	190 Å²	190	136.2 Å²	136.2	89%	0.888	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-2.8	167.9	-62.5	-173.4	131.5	0	0	112.2	T1035	T1035-E1037 PolarHBondContact O-N 3.22Å
1038	E	41.8	Very low	31.8	Very low	117 Å²	117	140.8 Å²	140.8	55%	0.547	74%	0.738	S	S	.	*			trans	-105.3	7.3	179.2	-61.1	169.4	105.2	0	0	112.6	T1035	T1035-E1038 WeakPolarHBondContact CB-OE2 3.05Å; T1035-E1038 PolarHBondContact N-OE2 3.37Å; T1035-E1038 WeakPolarHBondContact O-CB 3.35Å; T1035-E1038 PolarHBondContact O-N 3.04Å; T1035-E1038 PolarHBondContact OG1-OE2 2.74Å
1039	L	32	Very low	32.1	Very low	208 Å²	208	142.1 Å²	142.1	100%	1.089	75%	0.746	S	S	*	*			trans	-122.1	0	179.4	-81.1	170.3	0	0	0	111.9

Retrieved 1,039 of 1,039 residues in 499.1 ms (Link to these results)

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