OGT1_CAEEL Loading...

UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase

Addition of nucleotide-activated sugars directly onto the polypeptide through O-glycosidic linkage with the hydroxyl of serine or threonine (By similarity). Influences tap habituation in the mechanosensory neurons cell autonomously¹.

AlphaFold DB , UniProt , Accession O18158, Species CAEEL (Caenorhabditis elegans), Gene ogt-1, Length 1,151 aa.

						>OGT1_CAEEL|O18158|ogt-1
MEKPNYFQSYNKVIGATGEQLAPGAVPPHPVLAPSIAPGGVAGVSAANMANIMQTPGFANLVQQAIRTQLENQAAQQLAVNQQFQLNGATAVQQQLLLTPQQSLAQPIALAPQPTVVLNGVSETLKKVTELAHRQFQSGNYVEAEKYCNLVFQSDPNNLPTLLLLSAINFQTKNLEKSMQYSMLAIKVNNQCAEAYSNLGNYYKEKGQLQDALENYKLAVKLKPEFIDAYINLAAALVSGGDLEQAVTAYFNALQINPDLYCVRSDLGNLLKAMGRLEEAKVCYLKAIETQPQFAVAWSNLGCVFNSQGEIWLAIHHFEKAVTLDPNFLDAYINLGNVLKEARIFDRAVSAYLRALNLSGNHAVVHGNLACVYYEQGLIDLAIDTYKKAIDLQPHFPDAYCNLANALKEKGSVVEAEQMYMKALELCPTHADSQNNLANIKREQGKIEDATRLYLKALEIYPEFAAAHSNLASILQQQGKLNDAILHYKEAIRIAPTFADAYSNMGNTLKEMGDSSAAIACYNRAIQINPAFADAHSNLASIHKDAGNMAEAIQSYSTALKLKPDFPDAYCNLAHCHQIICDWNDYDKRVRKLVQIVEDQLCKKRLPSVHPHHSMLYPLSHAARIAIAAKHASLCFDKVHVQMLGKTPLIHADRFSVQNGQRLRIGYVSSDFGNHPTSHLMQSIPGMHDRSRVEVFCYALSVNDGTNFRSKLMNESEHFVDLSQIPCNGKAAEKIAQDGIHILINMNGYTKGARNEIFALRPAPIQVMWLGYPSTSGATFMDYIITDAVTSPLRLANAFTEKLAYMPHTFFIGDHAQMLRHLTDKVVVKDKETTERDSCLIMNTANMDPILAKSEIKEQVLDTEVVSGPNKELVRAEMVLPVLEVPTEPIKQMIMTGQMTMNVMEDMNVQNGLGQSQMHHKAATGEEIPNSVLLTSRAQYQLPDDAIVFCNFNQLYKIDPSTLDMWIKILENVPKSILWLLRFPYQGEEHIRKYCVERGLDPSRIVFSNVAAKEEHVRRGQLADVCLDTPLCNGHTTGMDILWTGTPMVTMPLESLASRVATSQLYALGVPELVAKTRQEYVSIAVRLGTDADHLANMRAKVWMARTSSTLFDVKQYCHDMEDLLGQMWKRYESGMPIDHITNNTETPHGL
					

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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	19.5	Very low	25.7	Very low	243 Å²	243	90.2 Å²	90.2	100%	1.197	43%	0.43	S	S	*	.				0	91	0	-67.4	-173	-163.8	0	0	108
2	E	23.4	Very low	25.7	Very low	130 Å²	130	93.5 Å²	93.5	61%	0.607	44%	0.442	S	S	*	.			trans	-86.3	128.6	175.5	-67.7	176.9	146.8	0	0	108.7	P4 N504	E2-P4 WeakPolarHBondContact O-CD 3.44Å; E2-N504 PolarHBondContact OE1-ND2 3.32Å
3	K	24	Very low	25.8	Very low	147 Å²	147	89.7 Å²	89.7	64%	0.639	43%	0.428	S	S	*	.			trans	-73.7	124.9	169.4	-77.5	-176.4	177.6	180	0	107.2	N5	K3-N5 PolarHBondContact O-N 2.99Å
4	P	25.6	Very low	25.8	Very low	50 Å²	50	85.6 Å²	85.6	33%	0.325	41%	0.41	S	S	.	.			trans	-68.7	113.4	175	-19.1	32.8	0	0	0	110.9	E2 Y6	E2-P4 WeakPolarHBondContact O-CD 3.44Å; P4-Y6 HydrophobicContact CB-CD2 3.4Å; P4-Y6 VanDerWaalsContact CB-CD2 3.4Å; P4-Y6 HydrophobicContact CB-CE2 3.76Å; P4-Y6 PolarHBondContact O-N 3.45Å
5	N	27.3	Very low	25.7	Very low	95 Å²	95	80.8 Å²	80.8	51%	0.508	39%	0.391	S	S	.	.			trans	-74.9	74.6	171.4	-89	4.2	0	0	0	110.1	K3 E511	K3-N5 PolarHBondContact O-N 2.99Å; N5-E511 PolarHBondContact ND2-OE2 3.16Å
6	Y	28.3	Very low	25.7	Very low	45 Å²	45	79.7 Å²	79.7	18%	0.176	40%	0.399	C	S	.	.			trans	-113.4	92.5	177.1	-75.5	-61.3	0	0	0	112.5	P4 N538 S541	P4-Y6 HydrophobicContact CB-CD2 3.4Å; P4-Y6 VanDerWaalsContact CB-CD2 3.4Å; P4-Y6 HydrophobicContact CB-CE2 3.76Å; P4-Y6 PolarHBondContact O-N 3.45Å; Y6-N538 VanDerWaalsContact OH-CA 3.22Å; Y6-N538 WeakPolarHBondContact OH-CA 3.49Å; Y6-N538 PolarHBondContact OH-OD1 2.86Å; Y6-S541 VanDerWaalsContact CE1-OG 3.25Å; Y6-S541 WeakPolarHBondContact CE1-OG 3.47Å
7	F	27.8	Very low	25.6	Very low	77 Å²	77	77.1 Å²	77.1	34%	0.338	39%	0.389	S	S	.	.			trans	-139.9	54.6	178.7	-89.7	-90.3	0	0	0	112.6	H610 H631 L634	F7-H610 AromaticContact CD1-NE2 3.78Å; F7-H631 HydrophobicContact CE1-CB 4.27Å; F7-H631 AromaticContact CE1-CD2 3.37Å; F7-H631 WeakPolarHBondContact CE1-CD2 3.32Å; F7-H631 HydrophobicContact CZ-CB 4.07Å; F7-H631 AromaticContact CZ-CD2 3.19Å; F7-H631 WeakPolarHBondContact CZ-CD2 3.38Å; F7-H631 AromaticContact CZ-CG 3.84Å; F7-L634 HydrophobicContact CE2-CD1 4.03Å; F7-L634 HydrophobicContact CZ-CD1 4.24Å
8	Q	26.8	Very low	25.5	Very low	86 Å²	86	76.6 Å²	76.6	40%	0.402	41%	0.406	S	S	.	.			trans	-140	126.2	154.8	-66.3	-165.1	17.4	0	0	108.8	K751	Q8-K751 HydrophobicContact CG-CG 4.43Å
9	S	26.2	Very low	25.4	Very low	5 Å²	5	82.5 Å²	82.5	4%	0.035	43%	0.431	C	S	.	.			trans	-119.1	144.2	171.5	50.2	0	0	0	0	110.4	H610 H613	S9-H610 PolarHBondContact OG-ND1 3.2Å; S9-H613 WeakPolarHBondContact CB-NE2 3.21Å
10	Y	27.2	Very low	25.3	Very low	72 Å²	72	86.9 Å²	86.9	28%	0.282	45%	0.449	S	S	.	.			trans	-62.5	128	-175.3	-137.4	-100.4	0	0	0	111.4	V13 D545 G547 F983	Y10-V13 HydrophobicContact CE1-CG2 3.96Å; Y10-D545 WeakPolarHBondContact CE2-O 3.43Å; Y10-G547 VanDerWaalsContact OH-CA 3.3Å; Y10-G547 WeakPolarHBondContact OH-CA 3.24Å; Y10-F983 HydrophobicContact CE1-CE1 4.48Å; Y10-F983 HydrophobicContact CE1-CZ 4.09Å
11	N	26.9	Very low	25.2	Very low	42 Å²	42	90.7 Å²	90.7	23%	0.225	47%	0.47	C	S	.	.			trans	-159.2	-10.7	166	-106.6	-6.3	0	0	0	114.7	V13 H612	N11-V13 VanDerWaalsContact C-N 3.35Å; N11-V13 PolarHBondContact O-N 3.42Å; N11-H612 PolarHBondContact ND2-CE1 3.45Å; N11-H612 PolarHBondContact ND2-NE2 3.41Å
12	K	25.5	Very low	25.4	Very low	130 Å²	130	83.7 Å²	83.7	57%	0.565	45%	0.45	S	S	*	.			trans	-85.1	57.3	-174.6	-155	-167.9	-174.7	-165.7	0	114.2
13	V	26.8	Very low	25.4	Very low	44 Å²	44	83.9 Å²	83.9	27%	0.267	46%	0.463	S	S	.	.			trans	-141.8	38.8	170.8	-157.7	0	0	0	0	113	Y10 N11 F983	Y10-V13 HydrophobicContact CE1-CG2 3.96Å; N11-V13 VanDerWaalsContact C-N 3.35Å; N11-V13 PolarHBondContact O-N 3.42Å; V13-F983 HydrophobicContact CB-CE1 4.19Å; V13-F983 HydrophobicContact CB-CE2 4.3Å; V13-F983 HydrophobicContact CB-CZ 3.65Å; V13-F983 HydrophobicContact CG1-CE2 3.92Å; V13-F983 HydrophobicContact CG1-CZ 3.8Å; V13-F983 HydrophobicContact CG2-CZ 3.76Å
14	I	25.8	Very low	25.4	Very low	33 Å²	33	80.5 Å²	80.5	17%	0.169	47%	0.47	C	S	.	.	S	Bend	trans	-133.8	64	161.8	-51.1	179.1	0	0	0	107.4	P676 H679	I14-P676 HydrophobicContact CB-CG 3.92Å; I14-P676 HydrophobicContact CG2-CG 4.41Å; I14-P676 VanDerWaalsContact O-CD 3.22Å; I14-P676 WeakPolarHBondContact O-CD 3.22Å; I14-P676 VanDerWaalsContact O-CG 3.28Å; I14-P676 WeakPolarHBondContact O-CG 3.44Å; I14-H679 PolarHBondContact O-CE1 2.93Å
15	G	24.6	Very low	25.4	Very low	13 Å²	13	82.9 Å²	82.9	13%	0.134	49%	0.493	C	S	.	.	S	Bend	trans	156.3	43.7	-171.1	0	0	0	0	0	114	N674	G15-N674 VanDerWaalsContact C-OD1 3.28Å; G15-N674 WeakPolarHBondContact CA-OD1 3.32Å; G15-N674 CarbonylContact O-C 3.57Å; G15-N674 VanDerWaalsContact O-CB 3.31Å; G15-N674 WeakPolarHBondContact O-CB 3.3Å; G15-N674 PolarHBondContact O-ND2 3.36Å; G15-N674 PolarHBondContact O-OD1 2.98Å
16	A	25.1	Very low	25.4	Very low	63 Å²	63	85 Å²	85	52%	0.521	51%	0.509	S	S	.	.			trans	-170.4	109.6	162.2	0	0	0	0	0	108.9
17	T	24.8	Very low	25.4	Very low	35 Å²	35	88 Å²	88	22%	0.215	54%	0.535	C	S	.	.	S	Bend	trans	-66.5	124.5	156.6	40.4	0	0	0	0	109.1	H920 T924 A1012	T17-H920 PolarHBondContact OG1-CE1 3.01Å; T17-H920 PolarHBondContact OG1-NE2 3.29Å; T17-T924 HydrophobicContact CG2-CG2 4.28Å; T17-T924 WeakPolarHBondContact OG1-CG2 3.5Å; T17-A1012 HydrophobicContact CG2-CB 3.35Å
18	G	23.7	Very low	25.3	Very low	68 Å²	68	89.5 Å²	89.5	70%	0.701	55%	0.552	S	S	*	*			trans	51.4	89.1	158.3	0	0	0	0	0	117.9	Q20	G18-Q20 PolarHBondContact O-N 3.16Å
19	E	23.8	Very low	25.5	Very low	190 Å²	190	94.7 Å²	94.7	89%	0.888	58%	0.576	S	S	*	*			trans	-69.5	72	145.7	-77.7	-175.2	170.9	0	0	109.5
20	Q	23.3	Very low	25.7	Very low	170 Å²	170	99.9 Å²	99.9	79%	0.794	61%	0.609	S	S	*	*			trans	-76.2	122.8	143.5	-83.2	-169.4	-9.6	0	0	106.6	G18 A22	G18-Q20 PolarHBondContact O-N 3.16Å; Q20-A22 PolarHBondContact O-N 3.37Å
21	L	23.6	Very low	25.9	Very low	167 Å²	167	102.4 Å²	102.4	87%	0.874	63%	0.632	S	S	*	*			trans	-50.2	106.8	171.2	-72	161.1	0	0	0	109.6	P23	L21-P23 VanDerWaalsContact O-CD 3.25Å; L21-P23 WeakPolarHBondContact O-CD 3.33Å
22	A	23.6	Very low	26	Very low	95 Å²	95	108.2 Å²	108.2	79%	0.785	66%	0.662	S	S	*	*			trans	-65.5	116.6	170.1	0	0	0	0	0	108.4	Q20 G24	Q20-A22 PolarHBondContact O-N 3.37Å; A22-G24 PolarHBondContact O-N 3.45Å
23	P	21.9	Very low	26.2	Very low	134 Å²	134	106.5 Å²	106.5	87%	0.87	67%	0.672	S	S	*	*			trans	-84.5	110.8	-178.3	32.2	-29.8	0	0	0	110.1	L21	L21-P23 VanDerWaalsContact O-CD 3.25Å; L21-P23 WeakPolarHBondContact O-CD 3.33Å
24	G	24.2	Very low	26.6	Very low	77 Å²	77	110.4 Å²	110.4	79%	0.794	70%	0.699	S	S	*	*			trans	124.6	110.7	153.5	0	0	0	0	0	117	A22	A22-G24 PolarHBondContact O-N 3.45Å
25	A	25.6	Very low	26.8	Very low	99 Å²	99	113.9 Å²	113.9	82%	0.818	73%	0.726	S	S	*	*			trans	-166.1	62	141.1	0	0	0	0	0	110.3
26	V	27.3	Very low	27.1	Very low	139 Å²	139	121 Å²	121	84%	0.842	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-97.4	118.2	169.4	179.5	0	0	0	0	108.3
27	P	28.6	Very low	27.3	Very low	109 Å²	109	122.1 Å²	122.1	71%	0.708	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-70.8	149.9	175.1	29.9	-33.8	0	0	0	111.2
28	P	26.9	Very low	27.7	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-85.1	135.7	-165.6	32.7	-35.2	0	0	0	113.5
29	H	30.1	Very low	28	Very low	194 Å²	194	127.3 Å²	127.3	90%	0.898	81%	0.806	S	S	*	*			trans	-150.4	118.3	148.6	-93.4	-64.8	0	0	0	110.7
30	P	30.2	Very low	28.2	Very low	114 Å²	114	121.8 Å²	121.8	74%	0.74	80%	0.8	S	S	*	*			trans	-100	157.3	176.5	37.6	-33.1	0	0	0	112.8
31	V	30.9	Very low	28.6	Very low	126 Å²	126	121 Å²	121	76%	0.764	81%	0.806	S	S	*	*			trans	173.4	102.3	149	146.7	0	0	0	0	105.8
32	L	30.2	Very low	28.9	Very low	163 Å²	163	117.4 Å²	117.4	85%	0.853	80%	0.8	S	S	*	*				61.9	132.4	105.2	-61.4	168.2	0	0	0	114.2
33	A	30.1	Very low	29	Very low	94 Å²	94	116.9 Å²	116.9	78%	0.777	80%	0.804	S	S	*	*			cis	-154.3	172.1	12.4	0	0	0	0	0	112.6
34	P	34	Very low	29.3	Very low	127 Å²	127	113.8 Å²	113.8	83%	0.825	78%	0.783	S	S	*	*			trans	-117.7	164.9	-161.1	41.8	-32.5	0	0	0	117.3
35	S	30.5	Very low	29.8	Very low	106 Å²	106	113 Å²	113	74%	0.741	77%	0.765	S	S	*	*			trans	-175.7	145.5	161.9	179.7	0	0	0	0	109.2
36	I	31.2	Very low	30.1	Very low	162 Å²	162	112.1 Å²	112.1	83%	0.831	76%	0.758	S	S	*	*			cis	-150.4	166.6	-17.5	-106.8	171	0	0	0	107
37	A	29.8	Very low	30.4	Very low	86 Å²	86	108.1 Å²	108.1	71%	0.711	74%	0.739	S	S	*	*			trans	-108.5	-168.8	-177.4	0	0	0	0	0	111.6
38	P	33.2	Very low	30.6	Very low	131 Å²	131	107.1 Å²	107.1	85%	0.851	73%	0.728	S	S	*	*			cis	-141.6	167.9	9.6	42.5	-23.5	0	0	0	118.3
39	G	29.3	Very low	31	Very low	82 Å²	82	106.5 Å²	106.5	85%	0.845	72%	0.717	S	S	*	*			trans	159	99.6	156.6	0	0	0	0	0	118.1
40	G	26.8	Very low	31.4	Very low	74 Å²	74	99.4 Å²	99.4	76%	0.763	69%	0.692	S	S	*	*			trans	105.4	114.3	146	0	0	0	0	0	119.8
41	V	32.3	Very low	31.9	Very low	153 Å²	153	98.9 Å²	98.9	93%	0.927	68%	0.683	S	S	*	*			trans	70.6	119.5	160.5	-156.5	0	0	0	0	117.8
42	A	29.1	Very low	32.5	Very low	91 Å²	91	96.5 Å²	96.5	75%	0.752	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-81.6	154.6	-178.5	0	0	0	0	0	113.3
43	G	26.2	Very low	32.9	Very low	85 Å²	85	94.6 Å²	94.6	88%	0.876	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-67.6	131.7	-171.3	0	0	0	0	0	115.2
44	V	29.2	Very low	33.6	Very low	69 Å²	69	97.3 Å²	97.3	42%	0.418	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-96.1	126.9	164.6	-179.1	0	0	0	0	107.3	N48 M49 I52	V44-N48 HydrophobicContact CG1-CB 3.43Å; V44-N48 VanDerWaalsContact CG1-CB 3.43Å; V44-M49 HydrophobicContact CB-CE 4.36Å; V44-M49 HydrophobicContact CB-CG 4.34Å; V44-M49 HydrophobicContact CG1-CG 3.91Å; V44-I52 HydrophobicContact CG1-CD1 4.21Å
45	S	34.4	Very low	34.2	Very low	61 Å²	61	95 Å²	95	43%	0.427	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-63.8	153.8	177.2	66.6	0	0	0	0	111.3	A47 N48 M49	S45-A47 PolarHBondContact O-N 2.96Å; S45-A47 VanDerWaalsContact O-N 3.17Å; S45-N48 PolarHBondContact O-N 3.38Å; S45-N48 PolarHBondContact OG-N 3.11Å; S45-M49 PolarHBondContact O-N 3.22Å
46	A	31.7	Very low	34.5	Very low	80 Å²	80	96.1 Å²	96.1	66%	0.661	64%	0.638	S	S	*	*	H	α-helix	trans	-56	-34.3	178.2	0	0	0	0	0	112.7	M49 A50	A46-M49 PolarHBondContact O-N 3.22Å; A46-A50 PolarHBondContact O-N 3.34Å
47	A	33	Very low	35.5	Very low	54 Å²	54	90.2 Å²	90.2	45%	0.446	62%	0.617	S	S	.	*	H	α-helix	trans	-63.1	-40.2	172.2	0	0	0	0	0	113.3	S45 A50 N51	S45-A47 PolarHBondContact O-N 2.96Å; S45-A47 VanDerWaalsContact O-N 3.17Å; A47-A50 PolarHBondContact O-N 2.68Å; A47-N51 PolarHBondContact O-N 3.06Å
48	N	34.1	Very low	36.9	Very low	88 Å²	88	89.4 Å²	89.4	47%	0.471	60%	0.598	S	S	.	*	H	α-helix	trans	-73.8	-32.6	176.7	-75	-4.8	0	0	0	112.1	V44 S45 N51 I52	V44-N48 HydrophobicContact CG1-CB 3.43Å; V44-N48 VanDerWaalsContact CG1-CB 3.43Å; S45-N48 PolarHBondContact O-N 3.38Å; S45-N48 PolarHBondContact OG-N 3.11Å; N48-N51 PolarHBondContact O-N 3.27Å; N48-I52 VanDerWaalsContact O-CG1 3.3Å; N48-I52 WeakPolarHBondContact O-CG1 3.37Å; N48-I52 PolarHBondContact O-N 3.49Å
49	M	34	Very low	37.7	Very low	97 Å²	97	86.4 Å²	86.4	48%	0.478	58%	0.584	S	S	.	*	H	α-helix	trans	-62.7	-42.1	171.1	-79.7	-170.3	-176.6	0	0	112	V44 S45 A46 N51 I52 M53	V44-M49 HydrophobicContact CB-CE 4.36Å; V44-M49 HydrophobicContact CB-CG 4.34Å; V44-M49 HydrophobicContact CG1-CG 3.91Å; S45-M49 PolarHBondContact O-N 3.22Å; A46-M49 PolarHBondContact O-N 3.22Å; M49-N51 VanDerWaalsContact C-N 3.32Å; M49-N51 PolarHBondContact O-N 2.83Å; M49-I52 PolarHBondContact O-N 3.13Å; M49-M53 HydrophobicContact CB-CE 4.3Å; M49-M53 WeakPolarHBondContact O-CG 3.38Å; M49-M53 PolarHBondContact O-N 2.86Å
50	A	38.7	Very low	39.3	Very low	45 Å²	45	87.7 Å²	87.7	37%	0.372	57%	0.571	S	S	.	*	H	α-helix	trans	-59.2	-41.9	176.6	0	0	0	0	0	112.4	A46 A47 M53 Q54	A46-A50 PolarHBondContact O-N 3.34Å; A47-A50 PolarHBondContact O-N 2.68Å; A50-M53 PolarHBondContact O-N 3.03Å; A50-Q54 WeakPolarHBondContact O-CG 3.41Å; A50-Q54 PolarHBondContact O-N 3.24Å
51	N	40.4	Very low	40.9	Very low	103 Å²	103	89.5 Å²	89.5	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-38.7	175.5	-73.8	-17	0	0	0	112.7	A47 N48 M49 Q54	A47-N51 PolarHBondContact O-N 3.06Å; N48-N51 PolarHBondContact O-N 3.27Å; M49-N51 VanDerWaalsContact C-N 3.32Å; M49-N51 PolarHBondContact O-N 2.83Å; N51-Q54 PolarHBondContact O-N 2.93Å
52	I	44	Very low	42	Very low	76 Å²	76	85 Å²	85	39%	0.39	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-38.8	176.7	-68.3	165.2	0	0	0	111	V44 N48 M49 Q54 T55 F58	V44-I52 HydrophobicContact CG1-CD1 4.21Å; N48-I52 VanDerWaalsContact O-CG1 3.3Å; N48-I52 WeakPolarHBondContact O-CG1 3.37Å; N48-I52 PolarHBondContact O-N 3.49Å; M49-I52 PolarHBondContact O-N 3.13Å; I52-Q54 PolarHBondContact O-N 2.94Å; I52-T55 WeakPolarHBondContact O-CB 3.43Å; I52-T55 PolarHBondContact O-N 2.87Å; I52-T55 PolarHBondContact O-OG1 3.43Å; I52-F58 HydrophobicContact CG2-CD2 3.82Å; I52-F58 HydrophobicContact CG2-CE2 3.52Å; I52-F58 HydrophobicContact CG2-CZ 4.07Å
53	M	39.9	Very low	43.3	Very low	122 Å²	122	87.2 Å²	87.2	60%	0.601	53%	0.53	S	S	*	.	H	α-helix	trans	-66.4	-21.3	176.8	-68.2	-177.7	-161.2	0	0	113.9	M49 A50 T55 F58	M49-M53 HydrophobicContact CB-CE 4.3Å; M49-M53 WeakPolarHBondContact O-CG 3.38Å; M49-M53 PolarHBondContact O-N 2.86Å; A50-M53 PolarHBondContact O-N 3.03Å; M53-T55 VanDerWaalsContact C-N 3.35Å; M53-F58 HydrophobicContact CG-CD1 4.44Å; M53-F58 HydrophobicContact CG-CE1 3.93Å
54	Q	43.3	Very low	45.2	Very low	151 Å²	151	89.3 Å²	89.3	71%	0.706	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.1	176.9	-70.3	178	16.2	0	0	113.7	A50 N51 I52 P56	A50-Q54 WeakPolarHBondContact O-CG 3.41Å; A50-Q54 PolarHBondContact O-N 3.24Å; N51-Q54 PolarHBondContact O-N 2.93Å; I52-Q54 PolarHBondContact O-N 2.94Å; Q54-P56 WeakPolarHBondContact O-CD 3.32Å
55	T	46.9	Very low	46.7	Very low	79 Å²	79	88.8 Å²	88.8	49%	0.485	52%	0.52	S	S	.	.	S	Bend	trans	-72	125.3	-178.5	-29.6	0	0	0	0	111.4	I52 M53 G57 F58	I52-T55 WeakPolarHBondContact O-CB 3.43Å; I52-T55 PolarHBondContact O-N 2.87Å; I52-T55 PolarHBondContact O-OG1 3.43Å; M53-T55 VanDerWaalsContact C-N 3.35Å; T55-G57 PolarHBondContact O-N 3.43Å; T55-F58 VanDerWaalsContact O-CB 3.31Å; T55-F58 WeakPolarHBondContact O-CB 3.5Å; T55-F58 PolarHBondContact O-N 3.13Å
56	P	36.3	Very low	47.8	Very low	130 Å²	130	90.2 Å²	90.2	84%	0.844	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.1	173.9	-25.2	34.7	0	0	0	111.3	Q54	Q54-P56 WeakPolarHBondContact O-CD 3.32Å
57	G	53.9	Low	49.4	Very low	37 Å²	37	94.9 Å²	94.9	38%	0.381	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-9.2	-176.5	0	0	0	0	0	115.6	T55 A59 N60 L61	T55-G57 PolarHBondContact O-N 3.43Å; G57-A59 VanDerWaalsContact C-N 3.27Å; G57-A59 PolarHBondContact O-N 3.24Å; G57-N60 WeakPolarHBondContact O-CB 3.24Å; G57-N60 PolarHBondContact O-N 3.03Å; G57-L61 PolarHBondContact O-N 3.32Å; G57-L61 VanDerWaalsContact O-N 3.11Å
58	F	57.6	Low	51	Low	70 Å²	70	95.8 Å²	95.8	31%	0.307	52%	0.523	S	S	.	.	H	α-helix	trans	-57.5	-40.8	174.5	-176.3	-106.2	0	0	0	112	I52 M53 T55 N60 L61 V62	I52-F58 HydrophobicContact CG2-CD2 3.82Å; I52-F58 HydrophobicContact CG2-CE2 3.52Å; I52-F58 HydrophobicContact CG2-CZ 4.07Å; M53-F58 HydrophobicContact CG-CD1 4.44Å; M53-F58 HydrophobicContact CG-CE1 3.93Å; T55-F58 VanDerWaalsContact O-CB 3.31Å; T55-F58 WeakPolarHBondContact O-CB 3.5Å; T55-F58 PolarHBondContact O-N 3.13Å; F58-N60 VanDerWaalsContact C-N 3.3Å; F58-N60 PolarHBondContact O-N 2.93Å; F58-L61 PolarHBondContact O-N 3.28Å; F58-V62 HydrophobicContact CD1-CG2 4.04Å; F58-V62 HydrophobicContact CE1-CG2 3.65Å; F58-V62 HydrophobicContact CE2-CG2 4.17Å; F58-V62 HydrophobicContact CG-CG2 4.47Å; F58-V62 HydrophobicContact CZ-CG2 3.72Å; F58-V62 WeakPolarHBondContact O-CG2 3.23Å; F58-V62 PolarHBondContact O-N 2.82Å
59	A	50.3	Low	52.2	Low	68 Å²	68	97.7 Å²	97.7	56%	0.562	53%	0.529	S	S	*	.	H	α-helix	trans	-58.5	-37.1	174.3	0	0	0	0	0	113.4	G57 Q63	G57-A59 VanDerWaalsContact C-N 3.27Å; G57-A59 PolarHBondContact O-N 3.24Å; A59-Q63 WeakPolarHBondContact O-CB 3.43Å; A59-Q63 WeakPolarHBondContact O-CG 3.24Å; A59-Q63 PolarHBondContact O-N 3.25Å
60	N	62.4	Low	53.3	Low	108 Å²	108	98 Å²	98	58%	0.578	53%	0.532	S	S	*	.	H	α-helix	trans	-71.7	-38.9	177.2	-74.2	-13.1	0	0	0	111.8	G57 F58 Q63 Q64	G57-N60 WeakPolarHBondContact O-CB 3.24Å; G57-N60 PolarHBondContact O-N 3.03Å; F58-N60 VanDerWaalsContact C-N 3.3Å; F58-N60 PolarHBondContact O-N 2.93Å; N60-Q63 PolarHBondContact O-N 3.28Å; N60-Q64 PolarHBondContact O-N 2.94Å
61	L	62.1	Low	54.6	Low	113 Å²	113	101.1 Å²	101.1	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-63.8	-43	174.3	-80.7	162.1	0	0	0	111.7	G57 F58 Q64 A65	G57-L61 PolarHBondContact O-N 3.32Å; G57-L61 VanDerWaalsContact O-N 3.11Å; F58-L61 PolarHBondContact O-N 3.28Å; L61-Q64 PolarHBondContact O-N 3.11Å; L61-A65 WeakPolarHBondContact O-CB 3.28Å; L61-A65 PolarHBondContact O-N 2.66Å
62	V	55.3	Low	55.7	Low	58 Å²	58	100.8 Å²	100.8	35%	0.352	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-44.2	175.1	172.7	0	0	0	0	111.1	F58 Q64 A65 I66	F58-V62 HydrophobicContact CD1-CG2 4.04Å; F58-V62 HydrophobicContact CE1-CG2 3.65Å; F58-V62 HydrophobicContact CE2-CG2 4.17Å; F58-V62 HydrophobicContact CG-CG2 4.47Å; F58-V62 HydrophobicContact CZ-CG2 3.72Å; F58-V62 WeakPolarHBondContact O-CG2 3.23Å; F58-V62 PolarHBondContact O-N 2.82Å; V62-Q64 PolarHBondContact O-N 3.11Å; V62-A65 PolarHBondContact O-N 3.15Å; V62-I66 HydrophobicContact CG1-CD1 3.75Å; V62-I66 HydrophobicContact CG1-CG1 4.48Å; V62-I66 VanDerWaalsContact O-CG1 3.3Å; V62-I66 WeakPolarHBondContact O-CG1 3.42Å; V62-I66 PolarHBondContact O-N 3.31Å
63	Q	56.8	Low	55.9	Low	137 Å²	137	102.2 Å²	102.2	64%	0.64	54%	0.542	S	S	*	.	H	α-helix	trans	-61.4	-42	174.2	-80.1	-168.5	0.3	0	0	112.7	A59 N60 R67	A59-Q63 WeakPolarHBondContact O-CB 3.43Å; A59-Q63 WeakPolarHBondContact O-CG 3.24Å; A59-Q63 PolarHBondContact O-N 3.25Å; N60-Q63 PolarHBondContact O-N 3.28Å; Q63-R67 WeakPolarHBondContact O-CB 3.28Å; Q63-R67 PolarHBondContact O-N 2.85Å
64	Q	65.5	Low	56.5	Low	129 Å²	129	98.7 Å²	98.7	60%	0.603	53%	0.532	S	S	*	.	H	α-helix	trans	-61.4	-48.1	175.1	-82.5	-176.2	-30.2	0	0	111.8	N60 L61 V62 I66 R67 T68	N60-Q64 PolarHBondContact O-N 2.94Å; L61-Q64 PolarHBondContact O-N 3.11Å; V62-Q64 PolarHBondContact O-N 3.11Å; Q64-I66 PolarHBondContact O-N 2.87Å; Q64-R67 WeakPolarHBondContact O-CB 3.39Å; Q64-R67 PolarHBondContact O-N 2.92Å; Q64-R67 VanDerWaalsContact O-N 3.14Å; Q64-T68 PolarHBondContact O-N 3.21Å; Q64-T68 PolarHBondContact O-OG1 3.17Å
65	A	61.3	Low	57.1	Low	58 Å²	58	94.3 Å²	94.3	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-44.4	179.1	0	0	0	0	0	112.4	L61 V62 R67 T68 Q69	L61-A65 WeakPolarHBondContact O-CB 3.28Å; L61-A65 PolarHBondContact O-N 2.66Å; V62-A65 PolarHBondContact O-N 3.15Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 2.66Å; A65-T68 PolarHBondContact O-N 3.11Å; A65-Q69 WeakPolarHBondContact O-CB 3.47Å; A65-Q69 PolarHBondContact O-N 2.72Å
66	I	57.4	Low	57.2	Low	92 Å²	92	97.1 Å²	97.1	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-61.9	-42	175.4	-68.9	168.3	0	0	0	110.8	V62 Q64 Q69 L70	V62-I66 HydrophobicContact CG1-CD1 3.75Å; V62-I66 HydrophobicContact CG1-CG1 4.48Å; V62-I66 VanDerWaalsContact O-CG1 3.3Å; V62-I66 WeakPolarHBondContact O-CG1 3.42Å; V62-I66 PolarHBondContact O-N 3.31Å; Q64-I66 PolarHBondContact O-N 2.87Å; I66-Q69 PolarHBondContact O-N 3.27Å; I66-L70 HydrophobicContact CG2-CD1 3.86Å; I66-L70 HydrophobicContact CG2-CG 4.44Å; I66-L70 WeakPolarHBondContact O-CG 3.38Å; I66-L70 PolarHBondContact O-N 3.2Å
67	R	64.4	Low	57.5	Low	177 Å²	177	97.6 Å²	97.6	67%	0.668	52%	0.52	S	S	*	.	H	α-helix	trans	-62.6	-48.6	178.9	-146	-178.3	-152.8	179.3	5.6	111.6	Q63 Q64 A65 Q69 L70 E71	Q63-R67 WeakPolarHBondContact O-CB 3.28Å; Q63-R67 PolarHBondContact O-N 2.85Å; Q64-R67 WeakPolarHBondContact O-CB 3.39Å; Q64-R67 PolarHBondContact O-N 2.92Å; Q64-R67 VanDerWaalsContact O-N 3.14Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 2.66Å; R67-Q69 VanDerWaalsContact C-N 3.3Å; R67-Q69 PolarHBondContact O-N 2.77Å; R67-L70 PolarHBondContact O-N 2.99Å; R67-E71 WeakPolarHBondContact O-CB 3.47Å; R67-E71 VanDerWaalsContact O-CG 3.32Å; R67-E71 WeakPolarHBondContact O-CG 3.43Å; R67-E71 PolarHBondContact O-N 3.13Å
68	T	67	Low	57.2	Low	74 Å²	74	101 Å²	101	45%	0.454	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-34.9	177.2	-55.2	0	0	0	0	112.2	Q64 A65 N72	Q64-T68 PolarHBondContact O-N 3.21Å; Q64-T68 PolarHBondContact O-OG1 3.17Å; A65-T68 PolarHBondContact O-N 3.11Å; T68-N72 WeakPolarHBondContact O-CB 3.17Å; T68-N72 VanDerWaalsContact O-CG 3.3Å; T68-N72 PolarHBondContact O-N 3.38Å; T68-N72 PolarHBondContact O-ND2 2.78Å; T68-N72 VanDerWaalsContact O-ND2 3.08Å
69	Q	58.1	Low	56.7	Low	127 Å²	127	100.1 Å²	100.1	59%	0.593	54%	0.535	S	S	*	.	H	α-helix	trans	-71.3	-38.6	176.7	-171	163.7	-11.7	0	0	112.6	A65 I66 R67 N72 Q73	A65-Q69 WeakPolarHBondContact O-CB 3.47Å; A65-Q69 PolarHBondContact O-N 2.72Å; I66-Q69 PolarHBondContact O-N 3.27Å; R67-Q69 VanDerWaalsContact C-N 3.3Å; R67-Q69 PolarHBondContact O-N 2.77Å; Q69-N72 PolarHBondContact O-N 3.07Å; Q69-Q73 PolarHBondContact O-N 2.93Å
70	L	57.7	Low	56.2	Low	104 Å²	104	100.6 Å²	100.6	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-67.4	-41	173.5	-72.2	168.9	0	0	0	112.2	I66 R67 Q73 A74	I66-L70 HydrophobicContact CG2-CD1 3.86Å; I66-L70 HydrophobicContact CG2-CG 4.44Å; I66-L70 WeakPolarHBondContact O-CG 3.38Å; I66-L70 PolarHBondContact O-N 3.2Å; R67-L70 PolarHBondContact O-N 2.99Å; L70-Q73 PolarHBondContact O-N 3.25Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 3.24Å
71	E	66.4	Low	55	Low	111 Å²	111	100.7 Å²	100.7	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-61.1	-42.7	174.7	-74.6	165.6	-178.8	0	0	111.4	R67 A74 A75	R67-E71 WeakPolarHBondContact O-CB 3.47Å; R67-E71 VanDerWaalsContact O-CG 3.32Å; R67-E71 WeakPolarHBondContact O-CG 3.43Å; R67-E71 PolarHBondContact O-N 3.13Å; E71-A74 PolarHBondContact O-N 3.06Å; E71-A75 WeakPolarHBondContact O-CB 3.46Å; E71-A75 PolarHBondContact O-N 3.16Å
72	N	62.4	Low	53.9	Low	96 Å²	96	101 Å²	101	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-38.8	175.3	-77	-35.7	0	0	0	113.2	T68 Q69 A75 Q76	T68-N72 WeakPolarHBondContact O-CB 3.17Å; T68-N72 VanDerWaalsContact O-CG 3.3Å; T68-N72 PolarHBondContact O-N 3.38Å; T68-N72 PolarHBondContact O-ND2 2.78Å; T68-N72 VanDerWaalsContact O-ND2 3.08Å; Q69-N72 PolarHBondContact O-N 3.07Å; N72-A75 PolarHBondContact O-N 2.88Å; N72-Q76 WeakPolarHBondContact O-CG 3.46Å; N72-Q76 PolarHBondContact O-N 3.5Å; N72-Q76 VanDerWaalsContact O-N 3.09Å
73	Q	49.4	Very low	53	Low	106 Å²	106	105 Å²	105	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-39.8	174.7	-78.7	-174.2	-28.6	0	0	112.3	Q69 L70 Q76 Q77	Q69-Q73 PolarHBondContact O-N 2.93Å; L70-Q73 PolarHBondContact O-N 3.25Å; Q73-Q76 PolarHBondContact O-N 3.06Å; Q73-Q77 PolarHBondContact O-N 3.47Å
74	A	51.9	Low	52	Low	47 Å²	47	106.5 Å²	106.5	39%	0.388	55%	0.549	S	S	.	.	H	α-helix	trans	-63.3	-40.9	175	0	0	0	0	0	111.8	L70 E71 Q77 L78	L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 3.24Å; E71-A74 PolarHBondContact O-N 3.06Å; A74-Q77 PolarHBondContact O-N 3.32Å; A74-L78 WeakPolarHBondContact O-CD1 3.34Å; A74-L78 PolarHBondContact O-N 3.04Å
75	A	55.9	Low	50.5	Low	59 Å²	59	108.3 Å²	108.3	49%	0.488	56%	0.558	S	S	.	*	H	α-helix	trans	-62.4	-41	174.9	0	0	0	0	0	112.5	E71 N72 L78 A79	E71-A75 WeakPolarHBondContact O-CB 3.46Å; E71-A75 PolarHBondContact O-N 3.16Å; N72-A75 PolarHBondContact O-N 2.88Å; A75-L78 PolarHBondContact O-N 3.14Å; A75-A79 PolarHBondContact O-N 2.79Å
76	Q	48.7	Very low	49.2	Very low	138 Å²	138	112.2 Å²	112.2	65%	0.645	57%	0.57	S	S	*	*	H	α-helix	trans	-66.1	-40	175.5	-74.3	179.3	-12	0	0	112.5	N72 Q73 A79 V80	N72-Q76 WeakPolarHBondContact O-CG 3.46Å; N72-Q76 PolarHBondContact O-N 3.5Å; N72-Q76 VanDerWaalsContact O-N 3.09Å; Q73-Q76 PolarHBondContact O-N 3.06Å; Q76-A79 PolarHBondContact O-N 3.5Å; Q76-V80 WeakPolarHBondContact O-CG2 3.33Å; Q76-V80 PolarHBondContact O-N 2.87Å; Q76-V80 VanDerWaalsContact O-N 3.16Å
77	Q	42.1	Very low	48	Very low	140 Å²	140	115.1 Å²	115.1	65%	0.654	59%	0.586	S	S	*	*	H	α-helix	trans	-67.9	-35.6	175.3	-74.7	-174.8	-16.5	0	0	113	Q73 A74 N81	Q73-Q77 PolarHBondContact O-N 3.47Å; A74-Q77 PolarHBondContact O-N 3.32Å; Q77-N81 PolarHBondContact O-N 2.78Å; Q77-N81 VanDerWaalsContact O-N 3.15Å; Q77-N81 PolarHBondContact O-ND2 3.17Å
78	L	47.6	Very low	46.3	Very low	108 Å²	108	110.2 Å²	110.2	57%	0.565	59%	0.591	S	S	*	*	H	α-helix	trans	-65.3	-40.9	172.2	-101.4	96.1	0	0	0	112.3	A74 A75 V80 N81 Q82	A74-L78 WeakPolarHBondContact O-CD1 3.34Å; A74-L78 PolarHBondContact O-N 3.04Å; A75-L78 PolarHBondContact O-N 3.14Å; L78-V80 PolarHBondContact O-N 3.48Å; L78-N81 PolarHBondContact O-N 3.15Å; L78-Q82 WeakPolarHBondContact O-CG 3.45Å; L78-Q82 PolarHBondContact O-N 3.49Å
79	A	47.1	Very low	44.4	Very low	52 Å²	52	110.7 Å²	110.7	43%	0.43	60%	0.602	S	S	.	*	H	α-helix	trans	-63.2	-41.1	179.2	0	0	0	0	0	112.5	A75 Q76 Q82 Q83	A75-A79 PolarHBondContact O-N 2.79Å; Q76-A79 PolarHBondContact O-N 3.5Å; A79-Q82 PolarHBondContact O-N 3.46Å; A79-Q83 PolarHBondContact O-N 3.08Å
80	V	40	Very low	43	Very low	79 Å²	79	111.2 Å²	111.2	48%	0.479	62%	0.615	S	S	.	*	H	α-helix	trans	-66.3	-42.5	175.9	174.3	0	0	0	0	111.3	Q76 L78 Q82 Q83 F84	Q76-V80 WeakPolarHBondContact O-CG2 3.33Å; Q76-V80 PolarHBondContact O-N 2.87Å; Q76-V80 VanDerWaalsContact O-N 3.16Å; L78-V80 PolarHBondContact O-N 3.48Å; V80-Q82 VanDerWaalsContact C-N 3.35Å; V80-Q82 PolarHBondContact O-N 2.93Å; V80-Q83 PolarHBondContact O-N 3.28Å; V80-F84 HydrophobicContact CG1-CD2 4.47Å; V80-F84 PolarHBondContact O-N 3.38Å
81	N	38.1	Very low	41.6	Very low	110 Å²	110	111 Å²	111	59%	0.588	63%	0.628	S	S	*	*	H	α-helix	trans	-67.6	-31.4	178	-77.2	-33.8	0	0	0	113.3	Q77 L78 F84	Q77-N81 PolarHBondContact O-N 2.78Å; Q77-N81 VanDerWaalsContact O-N 3.15Å; Q77-N81 PolarHBondContact O-ND2 3.17Å; L78-N81 PolarHBondContact O-N 3.15Å; N81-F84 PolarHBondContact O-N 3.37Å
82	Q	39.2	Very low	39.7	Very low	119 Å²	119	112.6 Å²	112.6	56%	0.556	65%	0.645	S	S	*	*	H	α-helix	trans	-72	-31	175	-75	-179.3	-3.6	0	0	113	L78 A79 V80 Q85	L78-Q82 WeakPolarHBondContact O-CG 3.45Å; L78-Q82 PolarHBondContact O-N 3.49Å; A79-Q82 PolarHBondContact O-N 3.46Å; V80-Q82 VanDerWaalsContact C-N 3.35Å; V80-Q82 PolarHBondContact O-N 2.93Å; Q82-Q85 PolarHBondContact O-N 3.19Å
83	Q	35.7	Very low	38	Very low	141 Å²	141	117 Å²	117	66%	0.659	66%	0.662	S	S	*	*	H	α-helix	trans	-68.9	-30.4	174	-76.8	-174.1	-30.4	0	0	113.3	A79 V80	A79-Q83 PolarHBondContact O-N 3.08Å; V80-Q83 PolarHBondContact O-N 3.28Å
84	F	35.4	Very low	37.1	Very low	170 Å²	170	120.5 Å²	120.5	75%	0.746	68%	0.679	S	S	*	*	H	α-helix	trans	-76.4	-22.3	176.9	-90.3	-83.9	0	0	0	114.3	V80 N81	V80-F84 HydrophobicContact CG1-CD2 4.47Å; V80-F84 PolarHBondContact O-N 3.38Å; N81-F84 PolarHBondContact O-N 3.37Å
85	Q	33.7	Very low	36.1	Very low	166 Å²	166	126.7 Å²	126.7	78%	0.776	70%	0.7	S	S	*	*	H	α-helix	trans	-86.6	-13.1	178.8	-71.6	-169.5	-21.3	0	0	114.5	Q82	Q82-Q85 PolarHBondContact O-N 3.19Å
86	L	34.5	Very low	34.7	Very low	140 Å²	140	131.9 Å²	131.9	73%	0.733	72%	0.718	S	S	*	*	S	Bend	trans	-91.5	-11	-175.1	-78.6	164.5	0	0	0	115.2
87	N	32.4	Very low	33.9	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	73%	0.726	S	S	*	*	S	Bend	trans	-105.1	4.8	-175.1	-71.9	-20.8	0	0	0	115
88	G	29.5	Very low	33.4	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	73%	0.731	S	S	*	*	S	Bend	trans	-108.8	6.7	-174.1	0	0	0	0	0	116.5
89	A	27.2	Very low	32.5	Very low	84 Å²	84	133.5 Å²	133.5	69%	0.694	74%	0.739	S	S	*	*			trans	-127.4	46.5	-160	0	0	0	0	0	115.4
90	T	27.9	Very low	32	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	75%	0.754	S	S	*	*			trans	-141.2	148.7	168.2	45.2	0	0	0	0	111.9
91	A	27.9	Very low	31.5	Very low	99 Å²	99	141.3 Å²	141.3	82%	0.818	77%	0.771	S	S	*	*	S	Bend	trans	80.9	43.1	169.2	0	0	0	0	0	120.5
92	V	27.7	Very low	30.9	Very low	145 Å²	145	143.5 Å²	143.5	88%	0.879	78%	0.778	S	S	*	*			trans	-139.1	80.7	151.4	-168.3	0	0	0	0	111.8
93	Q	27.1	Very low	30.3	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	79%	0.788	S	S	*	*			trans	-164.4	91.3	163.4	-117.7	177.1	28.7	0	0	112.2
94	Q	29.4	Very low	30	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	80%	0.799	S	S	*	*			trans	-173.3	145.2	137.8	-106.6	169.8	42.2	0	0	112.9
95	Q	30.8	Very low	29.6	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	80%	0.795	S	S	*	*			trans	71.9	81	159.4	-62.8	175.1	12.5	0	0	119.2
96	L	26.8	Very low	29.4	Very low	167 Å²	167	141 Å²	141	87%	0.874	80%	0.799	S	S	*	*			trans	-85.8	141.3	132.9	-90	142.3	0	0	0	108.8
97	L	30.8	Very low	29.2	Very low	156 Å²	156	139.3 Å²	139.3	82%	0.817	80%	0.796	S	S	*	*			trans	168.7	116.8	135.5	-87.2	155.2	0	0	0	112.6
98	L	32.3	Very low	29	Very low	143 Å²	143	140 Å²	140	75%	0.749	80%	0.798	S	S	*	*			trans	70.9	83.2	142.5	-55.1	169.7	0	0	0	122.5
99	T	29.4	Very low	28.8	Very low	122 Å²	122	140.8 Å²	140.8	75%	0.748	80%	0.798	S	S	*	*				22.1	164.2	105.8	72.1	0	0	0	0	121.7
100	P	36.2	Very low	28.8	Very low	112 Å²	112	145.1 Å²	145.1	73%	0.727	81%	0.808	S	S	*	*				-144.4	144.1	-73.6	38.7	-17.8	0	0	0	115.9
101	Q	28.4	Very low	29.1	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	81%	0.806	S	S	*	*			trans	-150.8	150.1	165.7	-77.3	-172.8	-21.4	0	0	109.7
102	Q	27.5	Very low	29.2	Very low	157 Å²	157	143.9 Å²	143.9	73%	0.734	80%	0.803	S	S	*	*			cis	171.1	136.3	-21.2	-119	-175.1	-18.7	0	0	103.4
103	S	26.1	Very low	29.5	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	80%	0.801	S	S	*	*			trans	64.4	153.6	163	78.6	0	0	0	0	117.3
104	L	29.6	Very low	30.1	Very low	169 Å²	169	142.1 Å²	142.1	89%	0.885	79%	0.794	S	S	*	*			cis	-149.8	157.8	0.2	-119.1	148.2	0	0	0	108.3
105	A	25.4	Very low	30.1	Very low	81 Å²	81	139.5 Å²	139.5	67%	0.669	79%	0.791	S	S	*	*			trans	-103.6	175.1	178.7	0	0	0	0	0	112.8
106	Q	29.8	Very low	30.1	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	79%	0.786	S	S	*	*			trans	88.2	160.5	168.8	-46.8	-169.9	-12	0	0	116.9
107	P	30.1	Very low	30.2	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	78%	0.78	S	S	*	*				-137.4	171.2	-71.7	39.1	-22.2	0	0	0	114.6
108	I	28.4	Very low	30.1	Very low	167 Å²	167	134.2 Å²	134.2	86%	0.856	78%	0.778	S	S	*	*			trans	30.1	112.3	148.9	-53.2	159	0	0	0	118.3
109	A	26.1	Very low	30.2	Very low	91 Å²	91	133.6 Å²	133.6	75%	0.752	78%	0.775	S	S	*	*			trans	-170.6	121.7	134.3	0	0	0	0	0	111.5
110	L	28	Very low	30.5	Very low	176 Å²	176	131.4 Å²	131.4	92%	0.921	78%	0.777	S	S	*	*			trans	-171.2	98.7	148.7	-107.7	160.4	0	0	0	112
111	A	32.9	Very low	31	Very low	96 Å²	96	132 Å²	132	79%	0.793	78%	0.778	S	S	*	*			trans	-135.2	142.4	146.2	0	0	0	0	0	105.1
112	P	31.5	Very low	32.3	Very low	116 Å²	116	126.5 Å²	126.5	75%	0.753	76%	0.76	S	S	*	*				-150.1	150.5	88.9	38.4	-22	0	0	0	115.4
113	Q	33.9	Very low	33.8	Very low	181 Å²	181	125.2 Å²	125.2	85%	0.846	75%	0.754	S	S	*	*			trans	-157.8	159.6	147.4	-81.7	-136.8	13.1	0	0	106.6
114	P	37.8	Very low	35.8	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	75%	0.745	S	S	*	*			cis	-134.6	176.2	20.3	41	-23.7	0	0	0	115.8
115	T	30.5	Very low	37.8	Very low	124 Å²	124	118.9 Å²	118.9	76%	0.761	72%	0.716	S	S	*	*			trans	-92.5	117.9	165	8	0	0	0	0	111.1
116	V	30.7	Very low	40.2	Very low	121 Å²	121	121.2 Å²	121.2	73%	0.733	71%	0.71	S	S	*	*			trans	47.9	126.5	132.4	-168.2	0	0	0	0	116.7
117	V	29	Very low	42.6	Very low	123 Å²	123	118.5 Å²	118.5	75%	0.745	70%	0.696	S	S	*	*				-158.2	155.9	64.3	-147.2	0	0	0	0	114.1
118	L	29.2	Very low	45.2	Very low	146 Å²	146	115 Å²	115	76%	0.764	67%	0.673	S	S	*	*			trans	90.3	124.8	153.9	-60.3	178.7	0	0	0	121.9
119	N	33.5	Very low	47.8	Very low	130 Å²	130	108.2 Å²	108.2	70%	0.695	64%	0.639	S	S	*	*			trans	84.7	57.9	146.4	-57.9	-8.2	0	0	0	121.2	V121	N119-V121 VanDerWaalsContact C-N 3.3Å; N119-V121 PolarHBondContact O-N 3.06Å
120	G	36.3	Very low	50.6	Low	76 Å²	76	108.7 Å²	108.7	78%	0.784	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn		70.5	-32.5	114.3	0	0	0	0	0	121.8
121	V	46.9	Very low	53.5	Low	125 Å²	125	103.3 Å²	103.3	76%	0.758	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	-25.6	-179.2	-174.7	0	0	0	0	111.5	N119 E123	N119-V121 VanDerWaalsContact C-N 3.3Å; N119-V121 PolarHBondContact O-N 3.06Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 2.79Å
122	S	55.3	Low	56.2	Low	66 Å²	66	98.9 Å²	98.9	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-68.4	-27.5	178.4	-175.8	0	0	0	0	113.8	K126	S122-K126 PolarHBondContact O-N 3.32Å
123	E	58.4	Low	58.9	Low	129 Å²	129	96.7 Å²	96.7	60%	0.603	54%	0.54	S	S	*	.	H	α-helix	trans	-77.2	-33.2	-167	-152.3	174.3	-147.4	0	0	113.5	V121 K127	V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 2.79Å; E123-K127 PolarHBondContact O-N 2.7Å
124	T	68.5	Low	61.5	Low	97 Å²	97	94.9 Å²	94.9	60%	0.595	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-44.7	175.3	-50.4	0	0	0	0	111	K126 K127 V128	T124-K126 PolarHBondContact O-N 3.34Å; T124-K127 PolarHBondContact O-N 3.31Å; T124-V128 WeakPolarHBondContact O-CG2 3.5Å; T124-V128 PolarHBondContact O-N 3.44Å
125	L	71.6	Confident	64.1	Low	50 Å²	50	91.7 Å²	91.7	26%	0.262	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-44.2	179.5	-123.6	77.8	0	0	0	111.6	K127 V128 T129 V151 D155	L125-K127 PolarHBondContact O-N 3.16Å; L125-V128 PolarHBondContact O-N 3.39Å; L125-T129 PolarHBondContact O-N 3.5Å; L125-T129 PolarHBondContact O-OG1 2.86Å; L125-V151 HydrophobicContact CD2-CG1 4Å; L125-V151 HydrophobicContact CG-CG1 4.21Å; L125-D155 HydrophobicContact CD2-CB 4.37Å
126	K	75	Confident	67	Low	129 Å²	129	88.2 Å²	88.2	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-56.4	-46	176.9	-72.9	178.4	179.5	-179.3	0	112.4	S122 T124 V128 T129 E130	S122-K126 PolarHBondContact O-N 3.32Å; T124-K126 PolarHBondContact O-N 3.34Å; K126-V128 PolarHBondContact O-N 2.72Å; K126-T129 PolarHBondContact O-N 2.92Å; K126-E130 PolarHBondContact O-N 2.88Å
127	K	81.9	Confident	69.7	Low	128 Å²	128	89.9 Å²	89.9	56%	0.557	48%	0.475	S	S	*	.	H	α-helix	trans	-62	-39.7	177.6	-73.5	174.4	177.9	168.6	0	112.5	E123 T124 L125 E130 L131	E123-K127 PolarHBondContact O-N 2.7Å; T124-K127 PolarHBondContact O-N 3.31Å; L125-K127 PolarHBondContact O-N 3.16Å; K127-E130 PolarHBondContact O-N 2.85Å; K127-L131 WeakPolarHBondContact O-CG 3.48Å; K127-L131 PolarHBondContact O-N 3.48Å
128	V	84.8	Confident	72.5	Confident	30 Å²	30	87.9 Å²	87.9	18%	0.182	47%	0.467	C	S	.	.	H	α-helix	trans	-67.7	-41	175.5	-175.7	0	0	0	0	111.2	T124 L125 K126 E130 L131 A132 Y147 L150 V151	T124-V128 WeakPolarHBondContact O-CG2 3.5Å; T124-V128 PolarHBondContact O-N 3.44Å; L125-V128 PolarHBondContact O-N 3.39Å; K126-V128 PolarHBondContact O-N 2.72Å; V128-E130 PolarHBondContact O-N 2.89Å; V128-L131 PolarHBondContact O-N 2.69Å; V128-A132 PolarHBondContact O-N 2.88Å; V128-Y147 HydrophobicContact CG1-CD1 3.98Å; V128-Y147 HydrophobicContact CG1-CG 4.33Å; V128-Y147 WeakPolarHBondContact CG1-O 3.49Å; V128-L150 HydrophobicContact CG1-CB 4.25Å; V128-V151 HydrophobicContact CB-CG2 3.94Å; V128-V151 HydrophobicContact CG1-CG2 3.72Å
129	T	82.3	Confident	75.1	Confident	24 Å²	24	82.7 Å²	82.7	15%	0.147	45%	0.448	C	S	.	.	H	α-helix	trans	-61.9	-41.2	175.5	-52.4	0	0	0	0	112.1	L125 K126 A132 H133	L125-T129 PolarHBondContact O-N 3.5Å; L125-T129 PolarHBondContact O-OG1 2.86Å; K126-T129 PolarHBondContact O-N 2.92Å; T129-A132 PolarHBondContact O-N 2.89Å; T129-H133 PolarHBondContact O-N 2.95Å; T129-H133 VanDerWaalsContact O-N 3.14Å; T129-H133 PolarHBondContact O-ND1 3.2Å
130	E	85.3	Confident	77.8	Confident	100 Å²	100	79.5 Å²	79.5	47%	0.467	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-42	173.9	-76.7	-178	-146.6	0	0	112.6	K126 K127 V128 A132 H133 R134	K126-E130 PolarHBondContact O-N 2.88Å; K127-E130 PolarHBondContact O-N 2.85Å; V128-E130 PolarHBondContact O-N 2.89Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-H133 PolarHBondContact O-N 2.89Å; E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 3.36Å; E130-R134 IonicContact OE2-NH2 3.68Å; E130-R134 PolarHBondContact OE2-NH2 2.62Å
131	L	88.5	Confident	80.4	Confident	64 Å²	64	79.2 Å²	79.2	34%	0.335	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-42.1	175.8	-74.1	169	0	0	0	111.5	K127 V128 H133 R134 Q135 Y147	K127-L131 WeakPolarHBondContact O-CG 3.48Å; K127-L131 PolarHBondContact O-N 3.48Å; V128-L131 PolarHBondContact O-N 2.69Å; L131-H133 PolarHBondContact O-N 3.13Å; L131-R134 PolarHBondContact O-N 3.42Å; L131-Q135 WeakPolarHBondContact O-CG 3.28Å; L131-Q135 PolarHBondContact O-N 3.01Å; L131-Y147 HydrophobicContact CB-CD1 4.47Å; L131-Y147 HydrophobicContact CB-CD2 3.87Å; L131-Y147 HydrophobicContact CB-CE2 3.91Å; L131-Y147 HydrophobicContact CB-CG 4.16Å; L131-Y147 HydrophobicContact CD1-CE1 4.27Å
132	A	89.4	Confident	82.4	Confident	2 Å²	2	77.7 Å²	77.7	2%	0.017	40%	0.397	C	S	.	.	H	α-helix	trans	-57.5	-47.1	174.8	0	0	0	0	0	112	V128 T129 E130 Q135 F136 L164	V128-A132 PolarHBondContact O-N 2.88Å; T129-A132 PolarHBondContact O-N 2.89Å; E130-A132 VanDerWaalsContact C-N 3.34Å; A132-Q135 PolarHBondContact O-N 3.46Å; A132-F136 PolarHBondContact O-N 3.29Å; A132-L164 HydrophobicContact CB-CD2 3.76Å
133	H	87.7	Confident	84.1	Confident	71 Å²	71	77 Å²	77	33%	0.329	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-42	177.8	-75.7	78.8	0	0	0	112.3	T129 E130 L131 F136 Q137	T129-H133 PolarHBondContact O-N 2.95Å; T129-H133 VanDerWaalsContact O-N 3.14Å; T129-H133 PolarHBondContact O-ND1 3.2Å; E130-H133 PolarHBondContact O-N 2.89Å; L131-H133 PolarHBondContact O-N 3.13Å; H133-F136 PolarHBondContact O-N 2.9Å; H133-Q137 WeakPolarHBondContact O-CB 3.41Å; H133-Q137 VanDerWaalsContact O-CG 3.31Å; H133-Q137 WeakPolarHBondContact O-CG 3.42Å; H133-Q137 PolarHBondContact O-N 3.03Å
134	R	90	Very high	85.6	Confident	143 Å²	143	70.9 Å²	70.9	54%	0.54	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-40.1	177.2	-69.6	-179.9	-157.8	175.7	11.1	112.4	E130 L131 Q137 S138	E130-R134 WeakPolarHBondContact O-CG 3.48Å; E130-R134 PolarHBondContact O-N 3.36Å; E130-R134 IonicContact OE2-NH2 3.68Å; E130-R134 PolarHBondContact OE2-NH2 2.62Å; L131-R134 PolarHBondContact O-N 3.42Å; R134-Q137 PolarHBondContact O-N 2.97Å; R134-S138 PolarHBondContact O-N 2.96Å; R134-S138 PolarHBondContact O-OG 3.4Å
135	Q	91.1	Very high	86.8	Confident	47 Å²	47	68.2 Å²	68.2	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-69	-34.3	175.7	-65.8	-58.4	-31.7	0	0	112.2	L131 A132 S138 G139 N140 E143 A144 Y147	L131-Q135 WeakPolarHBondContact O-CG 3.28Å; L131-Q135 PolarHBondContact O-N 3.01Å; A132-Q135 PolarHBondContact O-N 3.46Å; Q135-S138 WeakPolarHBondContact CA-OG 3.4Å; Q135-S138 PolarHBondContact O-N 2.83Å; Q135-S138 PolarHBondContact O-OG 2.7Å; Q135-G139 PolarHBondContact O-N 3.2Å; Q135-N140 HydrophobicContact CB-CB 4.39Å; Q135-N140 CarbonylContact O-C 3.17Å; Q135-N140 WeakPolarHBondContact O-CA 3.48Å; Q135-N140 PolarHBondContact O-N 3.49Å; Q135-N140 PolarHBondContact OE1-ND2 3.31Å; Q135-E143 HydrophobicContact CB-CB 4.35Å; Q135-E143 HydrophobicContact CG-CB 4.02Å; Q135-E143 HydrophobicContact CG-CG 4.17Å; Q135-A144 HydrophobicContact CB-CB 3.82Å; Q135-Y147 HydrophobicContact CG-CD2 4.02Å; Q135-Y147 HydrophobicContact CG-CE2 3.82Å
136	F	90.9	Very high	87.8	Confident	52 Å²	52	70.9 Å²	70.9	23%	0.228	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-44.9	172.6	178.6	-98.2	0	0	0	111.7	A132 H133 S138 G139 Y141 A144 L164 A167 I168 Q171	A132-F136 PolarHBondContact O-N 3.29Å; H133-F136 PolarHBondContact O-N 2.9Å; F136-S138 VanDerWaalsContact C-N 3.27Å; F136-S138 PolarHBondContact O-N 3.45Å; F136-G139 PolarHBondContact O-N 3.22Å; F136-Y141 AromaticContact CD2-CD1 3.79Å; F136-Y141 HydrophobicContact CD2-CD1 3.79Å; F136-Y141 AromaticContact CD2-CE1 3.83Å; F136-Y141 HydrophobicContact CD2-CE1 3.83Å; F136-Y141 HydrophobicContact CE2-CD1 4.05Å; F136-Y141 AromaticContact CE2-CE1 3.81Å; F136-Y141 HydrophobicContact CE2-CE1 3.81Å; F136-A144 HydrophobicContact CB-CB 4.11Å; F136-L164 HydrophobicContact CB-CD1 3.76Å; F136-L164 HydrophobicContact CD1-CD1 3.86Å; F136-L164 HydrophobicContact CD2-CD1 3.82Å; F136-L164 HydrophobicContact CE1-CD1 4.41Å; F136-L164 HydrophobicContact CE2-CD1 4.37Å; F136-L164 HydrophobicContact CG-CD1 3.52Å; F136-A167 HydrophobicContact CE2-CB 3.97Å; F136-A167 HydrophobicContact CZ-CB 3.89Å; F136-I168 HydrophobicContact CD2-CG1 3.63Å; F136-I168 HydrophobicContact CE2-CG1 4.14Å; F136-Q171 HydrophobicContact CE2-CG 4.27Å
137	Q	87.5	Confident	88.5	Confident	155 Å²	155	67.5 Å²	67.5	72%	0.724	33%	0.333	S	S	*	.	H	α-helix	trans	-64.5	-27.5	177.4	-74	173.8	-17.1	0	0	113.4	H133 R134 G139	H133-Q137 WeakPolarHBondContact O-CB 3.41Å; H133-Q137 VanDerWaalsContact O-CG 3.31Å; H133-Q137 WeakPolarHBondContact O-CG 3.42Å; H133-Q137 PolarHBondContact O-N 3.03Å; R134-Q137 PolarHBondContact O-N 2.97Å; Q137-G139 VanDerWaalsContact C-N 3.31Å
138	S	88.4	Confident	89	Confident	82 Å²	82	61.4 Å²	61.4	57%	0.573	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2.2	172.6	66.5	0	0	0	0	114.3	R134 Q135 F136 N140	R134-S138 PolarHBondContact O-N 2.96Å; R134-S138 PolarHBondContact O-OG 3.4Å; Q135-S138 WeakPolarHBondContact CA-OG 3.4Å; Q135-S138 PolarHBondContact O-N 2.83Å; Q135-S138 PolarHBondContact O-OG 2.7Å; F136-S138 VanDerWaalsContact C-N 3.27Å; F136-S138 PolarHBondContact O-N 3.45Å; S138-N140 VanDerWaalsContact C-N 3.25Å; S138-N140 PolarHBondContact O-N 3Å
139	G	83.1	Confident	89.3	Confident	36 Å²	36	62.3 Å²	62.3	37%	0.371	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	5.1	-176.4	0	0	0	0	0	114.7	Q135 F136 Q137 Y141	Q135-G139 PolarHBondContact O-N 3.2Å; F136-G139 PolarHBondContact O-N 3.22Å; Q137-G139 VanDerWaalsContact C-N 3.31Å; G139-Y141 VanDerWaalsContact C-N 3.27Å; G139-Y141 WeakPolarHBondContact O-CD2 3.35Å; G139-Y141 PolarHBondContact O-N 2.93Å
140	N	90.4	Very high	89.6	Confident	64 Å²	64	65.5 Å²	65.5	34%	0.342	33%	0.326	S	S	.	.			trans	-84.9	67.8	178.2	-171.6	5	0	0	0	111.5	Q135 S138 V142 E143 A144	Q135-N140 HydrophobicContact CB-CB 4.39Å; Q135-N140 CarbonylContact O-C 3.17Å; Q135-N140 WeakPolarHBondContact O-CA 3.48Å; Q135-N140 PolarHBondContact O-N 3.49Å; Q135-N140 PolarHBondContact OE1-ND2 3.31Å; S138-N140 VanDerWaalsContact C-N 3.25Å; S138-N140 PolarHBondContact O-N 3Å; N140-V142 PolarHBondContact O-N 3.14Å; N140-E143 VanDerWaalsContact ND2-CB 3.28Å; N140-E143 WeakPolarHBondContact ND2-CB 3.47Å; N140-E143 PolarHBondContact O-N 2.96Å; N140-E143 PolarHBondContact OD1-N 2.98Å; N140-A144 PolarHBondContact O-N 3.03Å
141	Y	91.1	Very high	89.7	Confident	70 Å²	70	60.8 Å²	60.8	28%	0.275	30%	0.304	S	S	.	.	H	α-helix	trans	-57.5	-33.3	-175.4	-54.8	-54.1	0	0	0	113.7	F136 G139 E145 Q171 T172	F136-Y141 AromaticContact CD2-CD1 3.79Å; F136-Y141 HydrophobicContact CD2-CD1 3.79Å; F136-Y141 AromaticContact CD2-CE1 3.83Å; F136-Y141 HydrophobicContact CD2-CE1 3.83Å; F136-Y141 HydrophobicContact CE2-CD1 4.05Å; F136-Y141 AromaticContact CE2-CE1 3.81Å; F136-Y141 HydrophobicContact CE2-CE1 3.81Å; G139-Y141 VanDerWaalsContact C-N 3.27Å; G139-Y141 WeakPolarHBondContact O-CD2 3.35Å; G139-Y141 PolarHBondContact O-N 2.93Å; Y141-E145 WeakPolarHBondContact O-CB 3.4Å; Y141-E145 PolarHBondContact O-N 3.46Å; Y141-Q171 HydrophobicContact CD1-CB 4.21Å; Y141-Q171 HydrophobicContact CD2-CB 4.29Å; Y141-Q171 HydrophobicContact CE1-CB 3.9Å; Y141-Q171 HydrophobicContact CE1-CG 3.99Å; Y141-Q171 HydrophobicContact CE2-CB 3.98Å; Y141-Q171 HydrophobicContact CG-CB 4.41Å; Y141-T172 HydrophobicContact CD2-CG2 4.29Å; Y141-T172 HydrophobicContact CG-CG2 4.22Å
142	V	89.5	Confident	89.8	Confident	92 Å²	92	60.2 Å²	60.2	56%	0.558	30%	0.299	S	S	*	.	H	α-helix	trans	-66.2	-44.9	179.8	178.2	0	0	0	0	111.5	N140 E145 K146	N140-V142 PolarHBondContact O-N 3.14Å; V142-E145 PolarHBondContact O-N 2.8Å; V142-K146 WeakPolarHBondContact O-CG 3.07Å; V142-K146 PolarHBondContact O-N 3.02Å
143	E	90.6	Very high	89.7	Confident	52 Å²	52	67.3 Å²	67.3	24%	0.243	33%	0.332	C	S	.	.	H	α-helix	trans	-75.8	-33.3	179	-153.8	64.4	-151.5	0	0	111.5	Q135 N140 E145 K146 Y147	Q135-E143 HydrophobicContact CB-CB 4.35Å; Q135-E143 HydrophobicContact CG-CB 4.02Å; Q135-E143 HydrophobicContact CG-CG 4.17Å; N140-E143 VanDerWaalsContact ND2-CB 3.28Å; N140-E143 WeakPolarHBondContact ND2-CB 3.47Å; N140-E143 PolarHBondContact O-N 2.96Å; N140-E143 PolarHBondContact OD1-N 2.98Å; E143-E145 VanDerWaalsContact C-N 3.35Å; E143-E145 PolarHBondContact O-N 3.18Å; E143-K146 PolarHBondContact O-N 3.13Å; E143-K146 IonicContact OE1-NZ 3.18Å; E143-K146 WeakPolarHBondContact OE2-CE 3.41Å; E143-K146 IonicContact OE2-NZ 2.76Å; E143-K146 PolarHBondContact OE2-NZ 3.3Å; E143-Y147 HydrophobicContact CG-CD2 4.37Å; E143-Y147 HydrophobicContact CG-CE2 3.79Å; E143-Y147 VanDerWaalsContact O-CD2 3.23Å; E143-Y147 WeakPolarHBondContact O-CD2 3.18Å; E143-Y147 PolarHBondContact O-N 2.92Å; E143-Y147 VanDerWaalsContact O-N 3.17Å
144	A	91.2	Very high	89.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.9	-44.8	170.2	0	0	0	0	0	111.6	Q135 F136 N140 K146 Y147 C148 I168	Q135-A144 HydrophobicContact CB-CB 3.82Å; F136-A144 HydrophobicContact CB-CB 4.11Å; N140-A144 PolarHBondContact O-N 3.03Å; A144-K146 PolarHBondContact O-N 3.43Å; A144-Y147 PolarHBondContact O-N 2.98Å; A144-C148 WeakPolarHBondContact O-CB 3.36Å; A144-C148 PolarHBondContact O-N 2.77Å; A144-C148 PolarHBondContact O-SG 3.39Å; A144-C148 VanDerWaalsContact O-SG 3.34Å; A144-I168 HydrophobicContact CB-CD1 3.62Å; A144-I168 HydrophobicContact CB-CG1 4.23Å
145	E	92.7	Very high	89.4	Confident	42 Å²	42	63.7 Å²	63.7	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-40.5	178.3	-157.7	-173.4	-179.5	0	0	111.6	Y141 V142 E143 C148 N149 L165 I168 K177	Y141-E145 WeakPolarHBondContact O-CB 3.4Å; Y141-E145 PolarHBondContact O-N 3.46Å; V142-E145 PolarHBondContact O-N 2.8Å; E143-E145 VanDerWaalsContact C-N 3.35Å; E143-E145 PolarHBondContact O-N 3.18Å; E145-C148 PolarHBondContact O-N 3.2Å; E145-N149 WeakPolarHBondContact O-CB 3.34Å; E145-N149 VanDerWaalsContact O-CG 3.28Å; E145-N149 PolarHBondContact O-N 2.99Å; E145-N149 PolarHBondContact O-ND2 3.38Å; E145-L165 HydrophobicContact CG-CD2 4.01Å; E145-I168 HydrophobicContact CB-CG2 4.06Å; E145-I168 HydrophobicContact CG-CG2 4.23Å; E145-K177 IonicContact OE1-NZ 3.14Å
146	K	91.7	Very high	89.3	Confident	106 Å²	106	64.7 Å²	64.7	46%	0.461	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-49.5	175.7	-68.9	175.9	-164.9	164.6	0	112	V142 E143 A144 N149 L150	V142-K146 WeakPolarHBondContact O-CG 3.07Å; V142-K146 PolarHBondContact O-N 3.02Å; E143-K146 PolarHBondContact O-N 3.13Å; E143-K146 IonicContact OE1-NZ 3.18Å; E143-K146 WeakPolarHBondContact OE2-CE 3.41Å; E143-K146 IonicContact OE2-NZ 2.76Å; E143-K146 PolarHBondContact OE2-NZ 3.3Å; A144-K146 PolarHBondContact O-N 3.43Å; K146-N149 PolarHBondContact O-N 2.73Å; K146-L150 PolarHBondContact O-N 3.3Å; K146-L150 VanDerWaalsContact O-N 3.13Å
147	Y	91.3	Very high	89.3	Confident	57 Å²	57	67.5 Å²	67.5	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-40.8	178.7	-68	-50	0	0	0	111.8	V128 L131 Q135 E143 A144 N149 L150 V151	V128-Y147 HydrophobicContact CG1-CD1 3.98Å; V128-Y147 HydrophobicContact CG1-CG 4.33Å; V128-Y147 WeakPolarHBondContact CG1-O 3.49Å; L131-Y147 HydrophobicContact CB-CD1 4.47Å; L131-Y147 HydrophobicContact CB-CD2 3.87Å; L131-Y147 HydrophobicContact CB-CE2 3.91Å; L131-Y147 HydrophobicContact CB-CG 4.16Å; L131-Y147 HydrophobicContact CD1-CE1 4.27Å; Q135-Y147 HydrophobicContact CG-CD2 4.02Å; Q135-Y147 HydrophobicContact CG-CE2 3.82Å; E143-Y147 HydrophobicContact CG-CD2 4.37Å; E143-Y147 HydrophobicContact CG-CE2 3.79Å; E143-Y147 VanDerWaalsContact O-CD2 3.23Å; E143-Y147 WeakPolarHBondContact O-CD2 3.18Å; E143-Y147 PolarHBondContact O-N 2.92Å; E143-Y147 VanDerWaalsContact O-N 3.17Å; A144-Y147 PolarHBondContact O-N 2.98Å; Y147-N149 PolarHBondContact O-N 3.03Å; Y147-L150 HydrophobicContact CD1-CD1 4.38Å; Y147-L150 PolarHBondContact O-N 3.01Å; Y147-V151 PolarHBondContact O-N 2.74Å
148	C	91.5	Very high	89.3	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-44.5	171.8	-74.7	0	0	0	0	112.6	A144 E145 L150 V151 F152 T161 L164 L165	A144-C148 WeakPolarHBondContact O-CB 3.36Å; A144-C148 PolarHBondContact O-N 2.77Å; A144-C148 PolarHBondContact O-SG 3.39Å; A144-C148 VanDerWaalsContact O-SG 3.34Å; E145-C148 PolarHBondContact O-N 3.2Å; C148-L150 VanDerWaalsContact C-N 3.31Å; C148-L150 PolarHBondContact O-N 3.37Å; C148-V151 PolarHBondContact O-N 3.14Å; C148-F152 WeakPolarHBondContact O-CB 3.5Å; C148-F152 PolarHBondContact O-N 3.29Å; C148-T161 HydrophobicContact CB-CG2 3.9Å; C148-T161 VanDerWaalsContact O-CG2 3.23Å; C148-T161 WeakPolarHBondContact O-CG2 3.38Å; C148-L164 VanDerWaalsContact SG-CD2 3.57Å; C148-L165 HydrophobicContact CB-CD1 4.21Å; C148-L165 HydrophobicContact CB-CD2 3.45Å; C148-L165 VanDerWaalsContact CB-CD2 3.45Å; C148-L165 HydrophobicContact CB-CG 3.62Å
149	N	91.1	Very high	89.5	Confident	48 Å²	48	59.2 Å²	59.2	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-34.5	180	-78.9	-41.1	0	0	0	112.7	E145 K146 Y147 F152 Q153	E145-N149 WeakPolarHBondContact O-CB 3.34Å; E145-N149 VanDerWaalsContact O-CG 3.28Å; E145-N149 PolarHBondContact O-N 2.99Å; E145-N149 PolarHBondContact O-ND2 3.38Å; K146-N149 PolarHBondContact O-N 2.73Å; Y147-N149 PolarHBondContact O-N 3.03Å; N149-F152 PolarHBondContact O-N 3.02Å; N149-Q153 WeakPolarHBondContact O-CB 3.32Å; N149-Q153 VanDerWaalsContact O-CG 3.23Å; N149-Q153 WeakPolarHBondContact O-CG 3.36Å; N149-Q153 PolarHBondContact O-N 3.39Å
150	L	89.3	Confident	89.8	Confident	91 Å²	91	60.5 Å²	60.5	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-42.3	173.3	-69.4	170.1	0	0	0	112.3	V128 K146 Y147 C148 S154	V128-L150 HydrophobicContact CG1-CB 4.25Å; K146-L150 PolarHBondContact O-N 3.3Å; K146-L150 VanDerWaalsContact O-N 3.13Å; Y147-L150 HydrophobicContact CD1-CD1 4.38Å; Y147-L150 PolarHBondContact O-N 3.01Å; C148-L150 VanDerWaalsContact C-N 3.31Å; C148-L150 PolarHBondContact O-N 3.37Å; L150-S154 PolarHBondContact O-N 2.99Å; L150-S154 PolarHBondContact O-OG 3.42Å
151	V	87.7	Confident	89.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-45.5	175	-178.5	0	0	0	0	110.7	L125 V128 Y147 C148 Q153 S154 D155 N158 T161	L125-V151 HydrophobicContact CD2-CG1 4Å; L125-V151 HydrophobicContact CG-CG1 4.21Å; V128-V151 HydrophobicContact CB-CG2 3.94Å; V128-V151 HydrophobicContact CG1-CG2 3.72Å; Y147-V151 PolarHBondContact O-N 2.74Å; C148-V151 PolarHBondContact O-N 3.14Å; V151-Q153 PolarHBondContact O-N 2.8Å; V151-S154 CarbonylContact O-C 3.6Å; V151-S154 WeakPolarHBondContact O-CB 3.44Å; V151-S154 PolarHBondContact O-N 2.86Å; V151-D155 PolarHBondContact O-N 3.03Å; V151-N158 HydrophobicContact CG1-CB 4.11Å; V151-T161 HydrophobicContact CB-CG2 4.11Å; V151-T161 HydrophobicContact CG1-CG2 4.32Å; V151-T161 WeakPolarHBondContact CG1-OG1 3.49Å
152	F	90	Very high	90	Very high	52 Å²	52	54.2 Å²	54.2	23%	0.228	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-34.8	-180	179.9	-107.8	0	0	0	113.5	C148 N149 S154 D155 P156 T161 L162 L165 Y181	C148-F152 WeakPolarHBondContact O-CB 3.5Å; C148-F152 PolarHBondContact O-N 3.29Å; N149-F152 PolarHBondContact O-N 3.02Å; F152-S154 PolarHBondContact O-N 2.73Å; F152-D155 CarbonylContact O-C 3.4Å; F152-P156 HydrophobicContact CD2-CB 4.39Å; F152-P156 HydrophobicContact CE2-CB 3.99Å; F152-P156 WeakPolarHBondContact CE2-O 3.34Å; F152-P156 HydrophobicContact CZ-CB 4.41Å; F152-P156 WeakPolarHBondContact O-CA 3.49Å; F152-P156 WeakPolarHBondContact O-CD 3.49Å; F152-P156 WeakPolarHBondContact O-CG 3.42Å; F152-P156 VanDerWaalsContact O-N 3.17Å; F152-T161 HydrophobicContact CB-CG2 4.09Å; F152-L162 HydrophobicContact CD2-CD2 3.95Å; F152-L162 HydrophobicContact CE2-CD2 3.7Å; F152-L165 HydrophobicContact CB-CD1 4.16Å; F152-L165 HydrophobicContact CD2-CD1 4.44Å; F152-L165 HydrophobicContact CG-CD1 4.22Å; F152-Y181 HydrophobicContact CZ-CE1 4.43Å
153	Q	88	Confident	90.2	Very high	151 Å²	151	51.2 Å²	51.2	71%	0.706	27%	0.268	S	S	*	.	H	α-helix	trans	-66.2	-27.3	171.9	-77.5	173.2	7.7	0	0	113	N149 V151	N149-Q153 WeakPolarHBondContact O-CB 3.32Å; N149-Q153 VanDerWaalsContact O-CG 3.23Å; N149-Q153 WeakPolarHBondContact O-CG 3.36Å; N149-Q153 PolarHBondContact O-N 3.39Å; V151-Q153 PolarHBondContact O-N 2.8Å
154	S	84.8	Confident	90.3	Very high	82 Å²	82	49.3 Å²	49.3	57%	0.573	26%	0.259	S	S	*	.	H	α-helix	trans	-90.9	-35.3	-178.2	-53.3	0	0	0	0	112.1	L150 V151 F152	L150-S154 PolarHBondContact O-N 2.99Å; L150-S154 PolarHBondContact O-OG 3.42Å; V151-S154 CarbonylContact O-C 3.6Å; V151-S154 WeakPolarHBondContact O-CB 3.44Å; V151-S154 PolarHBondContact O-N 2.86Å; F152-S154 PolarHBondContact O-N 2.73Å
155	D	86.6	Confident	90.5	Very high	56 Å²	56	49.3 Å²	49.3	30%	0.299	26%	0.259	S	S	.	.			trans	-143.8	90.7	178.3	174.3	16.6	0	0	0	109.5	L125 V151 F152 N157 N158	L125-D155 HydrophobicContact CD2-CB 4.37Å; V151-D155 PolarHBondContact O-N 3.03Å; F152-D155 CarbonylContact O-C 3.4Å; D155-N157 PolarHBondContact O-N 3.38Å; D155-N157 VanDerWaalsContact O-N 3.12Å; D155-N157 PolarHBondContact OD1-N 2.96Å; D155-N157 VanDerWaalsContact OD1-N 3.1Å; D155-N158 HydrophobicContact CB-CB 4.11Å; D155-N158 VanDerWaalsContact O-CB 3.23Å; D155-N158 WeakPolarHBondContact O-CB 3.27Å; D155-N158 PolarHBondContact O-N 2.73Å; D155-N158 VanDerWaalsContact O-N 3.11Å; D155-N158 PolarHBondContact OD1-N 2.97Å; D155-N158 WeakPolarHBondContact OD2-CA 3.47Å; D155-N158 VanDerWaalsContact OD2-CB 3.28Å; D155-N158 WeakPolarHBondContact OD2-CB 3.23Å; D155-N158 PolarHBondContact OD2-ND2 3.06Å
156	P	88.4	Confident	90.6	Very high	69 Å²	69	47.3 Å²	47.3	45%	0.448	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.2	177.9	-24.4	34.2	0	0	0	114.3	F152	F152-P156 HydrophobicContact CD2-CB 4.39Å; F152-P156 HydrophobicContact CE2-CB 3.99Å; F152-P156 WeakPolarHBondContact CE2-O 3.34Å; F152-P156 HydrophobicContact CZ-CB 4.41Å; F152-P156 WeakPolarHBondContact O-CA 3.49Å; F152-P156 WeakPolarHBondContact O-CD 3.49Å; F152-P156 WeakPolarHBondContact O-CG 3.42Å; F152-P156 VanDerWaalsContact O-N 3.17Å
157	N	89.7	Confident	90.7	Very high	111 Å²	111	43.1 Å²	43.1	59%	0.594	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	11	179	-63.9	-37	0	0	0	112.2	D155 L159 V188	D155-N157 PolarHBondContact O-N 3.38Å; D155-N157 VanDerWaalsContact O-N 3.12Å; D155-N157 PolarHBondContact OD1-N 2.96Å; D155-N157 VanDerWaalsContact OD1-N 3.1Å; N157-L159 PolarHBondContact O-N 3.03Å; N157-V188 HydrophobicContact CB-CG2 3.98Å; N157-V188 WeakPolarHBondContact O-CG1 3.4Å
158	N	89.6	Confident	90.8	Very high	26 Å²	26	40.4 Å²	40.4	14%	0.139	22%	0.224	C	C	.	.			trans	-69	93.7	-179.2	-163.1	-86.4	0	0	0	111.6	V151 D155 T161 L162	V151-N158 HydrophobicContact CG1-CB 4.11Å; D155-N158 HydrophobicContact CB-CB 4.11Å; D155-N158 VanDerWaalsContact O-CB 3.23Å; D155-N158 WeakPolarHBondContact O-CB 3.27Å; D155-N158 PolarHBondContact O-N 2.73Å; D155-N158 VanDerWaalsContact O-N 3.11Å; D155-N158 PolarHBondContact OD1-N 2.97Å; D155-N158 WeakPolarHBondContact OD2-CA 3.47Å; D155-N158 VanDerWaalsContact OD2-CB 3.28Å; D155-N158 WeakPolarHBondContact OD2-CB 3.23Å; D155-N158 PolarHBondContact OD2-ND2 3.06Å; N158-T161 WeakPolarHBondContact O-CA 3.5Å; N158-T161 WeakPolarHBondContact O-CB 3.45Å; N158-T161 PolarHBondContact O-N 2.97Å; N158-T161 WeakPolarHBondContact OD1-CB 3.47Å; N158-T161 PolarHBondContact OD1-N 2.98Å; N158-T161 PolarHBondContact OD1-OG1 2.8Å; N158-L162 PolarHBondContact O-N 2.84Å
159	L	91.1	Very high	90.9	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-52.7	-47.2	-173.7	-178.3	66.1	0	0	0	114.2	N157 T161 L162 L163 A185 V188 N189 C192	N157-L159 PolarHBondContact O-N 3.03Å; L159-T161 VanDerWaalsContact C-N 3.28Å; L159-T161 PolarHBondContact O-N 3.36Å; L159-L162 PolarHBondContact O-N 3.1Å; L159-L163 HydrophobicContact CD1-CG 4.37Å; L159-L163 HydrophobicContact CG-CD1 4.28Å; L159-L163 WeakPolarHBondContact O-CG 3.31Å; L159-L163 PolarHBondContact O-N 3.31Å; L159-A185 HydrophobicContact CD1-CB 3.65Å; L159-V188 HydrophobicContact CB-CG1 4.24Å; L159-N189 HydrophobicContact CD1-CB 4.44Å; L159-N189 HydrophobicContact CD2-CB 3.82Å; L159-C192 HydrophobicContact CD1-CB 4.26Å; L159-C192 HydrophobicContact CD2-CB 4.19Å
160	P	90.3	Very high	91	Very high	64 Å²	64	39.7 Å²	39.7	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-37.9	175.5	-25	35.4	0	0	0	113.4	L164	P160-L164 VanDerWaalsContact O-CB 3.32Å; P160-L164 WeakPolarHBondContact O-CB 3.35Å; P160-L164 PolarHBondContact O-N 2.93Å
161	T	91.6	Very high	91.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-39.5	178.5	-59.5	0	0	0	0	111.8	C148 V151 F152 N158 L159 L164 L165	C148-T161 HydrophobicContact CB-CG2 3.9Å; C148-T161 VanDerWaalsContact O-CG2 3.23Å; C148-T161 WeakPolarHBondContact O-CG2 3.38Å; V151-T161 HydrophobicContact CB-CG2 4.11Å; V151-T161 HydrophobicContact CG1-CG2 4.32Å; V151-T161 WeakPolarHBondContact CG1-OG1 3.49Å; F152-T161 HydrophobicContact CB-CG2 4.09Å; N158-T161 WeakPolarHBondContact O-CA 3.5Å; N158-T161 WeakPolarHBondContact O-CB 3.45Å; N158-T161 PolarHBondContact O-N 2.97Å; N158-T161 WeakPolarHBondContact OD1-CB 3.47Å; N158-T161 PolarHBondContact OD1-N 2.98Å; N158-T161 PolarHBondContact OD1-OG1 2.8Å; L159-T161 VanDerWaalsContact C-N 3.28Å; L159-T161 PolarHBondContact O-N 3.36Å; T161-L164 PolarHBondContact O-N 3.3Å; T161-L165 HydrophobicContact CG2-CD1 3.97Å; T161-L165 HydrophobicContact CG2-CG 4.39Å; T161-L165 WeakPolarHBondContact O-CB 3.47Å; T161-L165 VanDerWaalsContact O-CG 3.3Å; T161-L165 WeakPolarHBondContact O-CG 3.41Å; T161-L165 PolarHBondContact O-N 2.98Å
162	L	94.3	Very high	91.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-43.7	175	-69	170.7	0	0	0	111.9	F152 N158 L159 L165 S166 Y181 L184 A185 V188	F152-L162 HydrophobicContact CD2-CD2 3.95Å; F152-L162 HydrophobicContact CE2-CD2 3.7Å; N158-L162 PolarHBondContact O-N 2.84Å; L159-L162 PolarHBondContact O-N 3.1Å; L162-L165 PolarHBondContact O-N 2.89Å; L162-S166 WeakPolarHBondContact O-CB 3.5Å; L162-S166 PolarHBondContact O-N 3.49Å; L162-Y181 HydrophobicContact CD2-CD1 3.99Å; L162-L184 HydrophobicContact CD1-CB 4.17Å; L162-L184 HydrophobicContact CD2-CB 3.86Å; L162-L184 HydrophobicContact CD2-CD1 4.17Å; L162-A185 HydrophobicContact CB-CB 3.98Å; L162-V188 HydrophobicContact CD1-CG2 3.83Å
163	L	93.5	Very high	91.3	Very high	29 Å²	29	46.5 Å²	46.5	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174.7	-68.5	173.1	0	0	0	111.8	L159 S166 A167 A185 E194 A195 N198	L159-L163 HydrophobicContact CD1-CG 4.37Å; L159-L163 HydrophobicContact CG-CD1 4.28Å; L159-L163 WeakPolarHBondContact O-CG 3.31Å; L159-L163 PolarHBondContact O-N 3.31Å; L163-S166 WeakPolarHBondContact O-CB 3.48Å; L163-S166 PolarHBondContact O-N 2.95Å; L163-A167 PolarHBondContact O-N 3.38Å; L163-A185 HydrophobicContact CD2-CB 4.1Å; L163-E194 HydrophobicContact CD1-CB 3.81Å; L163-E194 HydrophobicContact CD1-CG 4.4Å; L163-E194 HydrophobicContact CD2-CB 3.73Å; L163-E194 HydrophobicContact CG-CB 4.38Å; L163-A195 HydrophobicContact CD2-CB 3.78Å; L163-N198 PolarHBondContact O-ND2 3.48Å
164	L	93.1	Very high	91.5	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-40.3	-179.9	-171.3	57.1	0	0	0	112.1	A132 F136 C148 P160 T161 S166 A167 I168	A132-L164 HydrophobicContact CB-CD2 3.76Å; F136-L164 HydrophobicContact CB-CD1 3.76Å; F136-L164 HydrophobicContact CD1-CD1 3.86Å; F136-L164 HydrophobicContact CD2-CD1 3.82Å; F136-L164 HydrophobicContact CE1-CD1 4.41Å; F136-L164 HydrophobicContact CE2-CD1 4.37Å; F136-L164 HydrophobicContact CG-CD1 3.52Å; C148-L164 VanDerWaalsContact SG-CD2 3.57Å; P160-L164 VanDerWaalsContact O-CB 3.32Å; P160-L164 WeakPolarHBondContact O-CB 3.35Å; P160-L164 PolarHBondContact O-N 2.93Å; T161-L164 PolarHBondContact O-N 3.3Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.94Å; L164-A167 PolarHBondContact O-N 2.94Å; L164-I168 HydrophobicContact CD1-CD1 4.4Å; L164-I168 HydrophobicContact CG-CD1 3.91Å; L164-I168 HydrophobicContact CG-CG1 4.49Å; L164-I168 WeakPolarHBondContact O-CB 3.21Å; L164-I168 WeakPolarHBondContact O-CD1 3.22Å; L164-I168 WeakPolarHBondContact O-CG1 3.3Å; L164-I168 PolarHBondContact O-N 3.21Å
165	L	94.8	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-39.5	171.7	-77.6	168.5	0	0	0	112	E145 C148 F152 T161 L162 N169 Y181	E145-L165 HydrophobicContact CG-CD2 4.01Å; C148-L165 HydrophobicContact CB-CD1 4.21Å; C148-L165 HydrophobicContact CB-CD2 3.45Å; C148-L165 VanDerWaalsContact CB-CD2 3.45Å; C148-L165 HydrophobicContact CB-CG 3.62Å; F152-L165 HydrophobicContact CB-CD1 4.16Å; F152-L165 HydrophobicContact CD2-CD1 4.44Å; F152-L165 HydrophobicContact CG-CD1 4.22Å; T161-L165 HydrophobicContact CG2-CD1 3.97Å; T161-L165 HydrophobicContact CG2-CG 4.39Å; T161-L165 WeakPolarHBondContact O-CB 3.47Å; T161-L165 VanDerWaalsContact O-CG 3.3Å; T161-L165 WeakPolarHBondContact O-CG 3.41Å; T161-L165 PolarHBondContact O-N 2.98Å; L162-L165 PolarHBondContact O-N 2.89Å; L165-N169 WeakPolarHBondContact O-CB 3.44Å; L165-N169 PolarHBondContact O-N 3.14Å; L165-N169 PolarHBondContact O-ND2 3.22Å; L165-Y181 HydrophobicContact CB-CD1 3.98Å; L165-Y181 HydrophobicContact CB-CD2 3.74Å; L165-Y181 HydrophobicContact CB-CE1 4.22Å; L165-Y181 HydrophobicContact CB-CE2 4Å; L165-Y181 HydrophobicContact CB-CG 3.74Å; L165-Y181 HydrophobicContact CD1-CD1 4.01Å; L165-Y181 HydrophobicContact CD1-CE1 3.67Å; L165-Y181 HydrophobicContact CG-CE1 4.47Å
166	S	94.4	Very high	92.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-46.7	174.4	-175.1	0	0	0	0	111.3	L162 L163 L164 N169 F170 S178 S182	L162-S166 WeakPolarHBondContact O-CB 3.5Å; L162-S166 PolarHBondContact O-N 3.49Å; L163-S166 WeakPolarHBondContact O-CB 3.48Å; L163-S166 PolarHBondContact O-N 2.95Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.94Å; S166-N169 PolarHBondContact O-N 3.24Å; S166-F170 PolarHBondContact O-N 3.27Å; S166-S178 WeakPolarHBondContact O-CB 3.49Å; S166-S178 PolarHBondContact O-OG 2.88Å; S166-S178 PolarHBondContact OG-O 2.77Å; S166-S178 PolarHBondContact OG-OG 2.93Å; S166-S182 PolarHBondContact OG-OG 3.41Å
167	A	93	Very high	92.5	Very high	18 Å²	18	41 Å²	41	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-43.7	177.6	0	0	0	0	0	112.8	F136 L163 L164 F170 Q171	F136-A167 HydrophobicContact CE2-CB 3.97Å; F136-A167 HydrophobicContact CZ-CB 3.89Å; L163-A167 PolarHBondContact O-N 3.38Å; L164-A167 PolarHBondContact O-N 2.94Å; A167-F170 WeakPolarHBondContact O-CB 3.05Å; A167-F170 PolarHBondContact O-N 3.16Å; A167-Q171 WeakPolarHBondContact O-CG 3.32Å; A167-Q171 PolarHBondContact O-N 2.95Å
168	I	93.4	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-51.6	174.7	-74	162.4	0	0	0	110.5	F136 A144 E145 L164 F170 Q171 T172	F136-I168 HydrophobicContact CD2-CG1 3.63Å; F136-I168 HydrophobicContact CE2-CG1 4.14Å; A144-I168 HydrophobicContact CB-CD1 3.62Å; A144-I168 HydrophobicContact CB-CG1 4.23Å; E145-I168 HydrophobicContact CB-CG2 4.06Å; E145-I168 HydrophobicContact CG-CG2 4.23Å; L164-I168 HydrophobicContact CD1-CD1 4.4Å; L164-I168 HydrophobicContact CG-CD1 3.91Å; L164-I168 HydrophobicContact CG-CG1 4.49Å; L164-I168 WeakPolarHBondContact O-CB 3.21Å; L164-I168 WeakPolarHBondContact O-CD1 3.22Å; L164-I168 WeakPolarHBondContact O-CG1 3.3Å; L164-I168 PolarHBondContact O-N 3.21Å; I168-F170 PolarHBondContact O-N 2.9Å; I168-Q171 PolarHBondContact O-N 3.24Å; I168-T172 PolarHBondContact O-N 2.92Å; I168-T172 PolarHBondContact O-OG1 2.91Å; I168-T172 VanDerWaalsContact O-OG1 3.11Å
169	N	94.3	Very high	92.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.2	-26.2	-178.4	-80	-89.8	0	0	0	112.5	L165 S166 T172 K173 N174 K177	L165-N169 WeakPolarHBondContact O-CB 3.44Å; L165-N169 PolarHBondContact O-N 3.14Å; L165-N169 PolarHBondContact O-ND2 3.22Å; S166-N169 PolarHBondContact O-N 3.24Å; N169-T172 WeakPolarHBondContact CA-OG1 3.39Å; N169-K173 PolarHBondContact O-N 3.36Å; N169-N174 HydrophobicContact CB-CB 4.26Å; N169-N174 CarbonylContact O-C 3.54Å; N169-N174 WeakPolarHBondContact O-CA 3.42Å; N169-N174 PolarHBondContact O-N 3.25Å; N169-K177 HydrophobicContact CB-CB 4.01Å; N169-K177 WeakPolarHBondContact OD1-CB 3.44Å; N169-K177 WeakPolarHBondContact OD1-CD 3.43Å
170	F	93.3	Very high	93.1	Very high	34 Å²	34	39.5 Å²	39.5	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-49.3	170.1	-172.4	-95.7	0	0	0	111.5	S166 A167 I168 T172 K173 L175 N201 E205	S166-F170 PolarHBondContact O-N 3.27Å; A167-F170 WeakPolarHBondContact O-CB 3.05Å; A167-F170 PolarHBondContact O-N 3.16Å; I168-F170 PolarHBondContact O-N 2.9Å; F170-T172 VanDerWaalsContact C-N 3.33Å; F170-T172 PolarHBondContact O-N 3.41Å; F170-K173 PolarHBondContact O-N 3.03Å; F170-L175 HydrophobicContact CD2-CD2 3.94Å; F170-L175 HydrophobicContact CE2-CD2 4.12Å; F170-N201 HydrophobicContact CD2-CB 4.25Å; F170-N201 HydrophobicContact CE1-CB 4.42Å; F170-N201 VanDerWaalsContact CE2-C 3.49Å; F170-N201 HydrophobicContact CE2-CB 3.71Å; F170-N201 WeakPolarHBondContact CE2-O 3.4Å; F170-N201 HydrophobicContact CZ-CB 3.8Å; F170-E205 HydrophobicContact CE2-CB 4.32Å; F170-E205 HydrophobicContact CE2-CG 3.56Å; F170-E205 HydrophobicContact CZ-CG 3.49Å; F170-E205 VanDerWaalsContact CZ-CG 3.49Å
171	Q	91.5	Very high	93.4	Very high	98 Å²	98	37.8 Å²	37.8	46%	0.458	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-34.2	179.6	-65.3	-61.5	-19.5	0	0	112.7	F136 Y141 A167 I168 K173	F136-Q171 HydrophobicContact CE2-CG 4.27Å; Y141-Q171 HydrophobicContact CD1-CB 4.21Å; Y141-Q171 HydrophobicContact CD2-CB 4.29Å; Y141-Q171 HydrophobicContact CE1-CB 3.9Å; Y141-Q171 HydrophobicContact CE1-CG 3.99Å; Y141-Q171 HydrophobicContact CE2-CB 3.98Å; Y141-Q171 HydrophobicContact CG-CB 4.41Å; A167-Q171 WeakPolarHBondContact O-CG 3.32Å; A167-Q171 PolarHBondContact O-N 2.95Å; I168-Q171 PolarHBondContact O-N 3.24Å; Q171-K173 PolarHBondContact O-N 3.12Å
172	T	91.2	Very high	93.5	Very high	66 Å²	66	37.7 Å²	37.7	41%	0.405	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	11.1	174.5	62.1	0	0	0	0	113.9	Y141 I168 N169 F170 N174	Y141-T172 HydrophobicContact CD2-CG2 4.29Å; Y141-T172 HydrophobicContact CG-CG2 4.22Å; I168-T172 PolarHBondContact O-N 2.92Å; I168-T172 PolarHBondContact O-OG1 2.91Å; I168-T172 VanDerWaalsContact O-OG1 3.11Å; N169-T172 WeakPolarHBondContact CA-OG1 3.39Å; F170-T172 VanDerWaalsContact C-N 3.33Å; F170-T172 PolarHBondContact O-N 3.41Å; T172-N174 PolarHBondContact O-N 3.49Å
173	K	90.3	Very high	93.6	Very high	123 Å²	123	41.8 Å²	41.8	54%	0.535	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.5	-179.9	-63.1	-63.1	-167.6	-177.5	0	115.4	N169 F170 Q171 L175 E205	N169-K173 PolarHBondContact O-N 3.36Å; F170-K173 PolarHBondContact O-N 3.03Å; Q171-K173 PolarHBondContact O-N 3.12Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.39Å; K173-E205 IonicContact NZ-OE1 3.61Å; K173-E205 PolarHBondContact NZ-OE1 2.72Å; K173-E205 VanDerWaalsContact NZ-OE1 3.13Å; K173-E205 IonicContact NZ-OE2 3.65Å; K173-E205 PolarHBondContact NZ-OE2 2.94Å
174	N	93.5	Very high	93.6	Very high	60 Å²	60	43.8 Å²	43.8	32%	0.321	21%	0.214	S	C	.	.			trans	-88.1	68.8	169.4	-161.5	-35.9	0	0	0	110.5	N169 T172 E176 K177 S178	N169-N174 HydrophobicContact CB-CB 4.26Å; N169-N174 CarbonylContact O-C 3.54Å; N169-N174 WeakPolarHBondContact O-CA 3.42Å; N169-N174 PolarHBondContact O-N 3.25Å; T172-N174 PolarHBondContact O-N 3.49Å; N174-E176 VanDerWaalsContact C-N 3.33Å; N174-E176 PolarHBondContact O-N 2.86Å; N174-K177 PolarHBondContact O-N 3.48Å; N174-K177 WeakPolarHBondContact OD1-CB 3.41Å; N174-K177 WeakPolarHBondContact OD1-CG 3.34Å; N174-K177 PolarHBondContact OD1-N 2.88Å; N174-S178 PolarHBondContact O-N 3Å
175	L	92.4	Very high	93.7	Very high	19 Å²	19	43.3 Å²	43.3	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-39.9	-169.3	-63.3	-178.8	0	0	0	112.8	F170 K173 S178 M179 Y202 E205 K206	F170-L175 HydrophobicContact CD2-CD2 3.94Å; F170-L175 HydrophobicContact CE2-CD2 4.12Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.39Å; L175-S178 WeakPolarHBondContact O-CB 3.3Å; L175-S178 PolarHBondContact O-N 2.7Å; L175-S178 VanDerWaalsContact O-N 3.17Å; L175-M179 PolarHBondContact O-N 2.68Å; L175-Y202 HydrophobicContact CB-CD2 3.85Å; L175-Y202 HydrophobicContact CB-CE2 3.87Å; L175-Y202 VanDerWaalsContact O-CD2 3.25Å; L175-Y202 WeakPolarHBondContact O-CD2 3.46Å; L175-Y202 WeakPolarHBondContact O-CE2 3.19Å; L175-E205 HydrophobicContact CD1-CB 4.1Å; L175-E205 HydrophobicContact CD2-CB 4.27Å; L175-E205 HydrophobicContact CD2-CG 4.49Å; L175-K206 HydrophobicContact CD1-CD 4.31Å
176	E	93.3	Very high	93.6	Very high	88 Å²	88	44.7 Å²	44.7	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-43.8	-179.5	-70.9	65.5	-149.2	0	0	112	N174 Q180 K206	N174-E176 VanDerWaalsContact C-N 3.33Å; N174-E176 PolarHBondContact O-N 2.86Å; E176-Q180 VanDerWaalsContact O-CG 3.3Å; E176-Q180 WeakPolarHBondContact O-CG 3.23Å; E176-Q180 PolarHBondContact O-N 2.83Å; E176-K206 WeakPolarHBondContact OE1-CE 3.33Å; E176-K206 IonicContact OE1-NZ 2.68Å; E176-K206 PolarHBondContact OE1-NZ 2.75Å
177	K	93.8	Very high	93.6	Very high	74 Å²	74	53.4 Å²	53.4	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-40.1	172.3	-80.8	-172.1	177	-175.7	0	111.5	E145 N169 N174 M179 Q180 Y181	E145-K177 IonicContact OE1-NZ 3.14Å; N169-K177 HydrophobicContact CB-CB 4.01Å; N169-K177 WeakPolarHBondContact OD1-CB 3.44Å; N169-K177 WeakPolarHBondContact OD1-CD 3.43Å; N174-K177 PolarHBondContact O-N 3.48Å; N174-K177 WeakPolarHBondContact OD1-CB 3.41Å; N174-K177 WeakPolarHBondContact OD1-CG 3.34Å; N174-K177 PolarHBondContact OD1-N 2.88Å; K177-M179 VanDerWaalsContact C-N 3.31Å; K177-M179 PolarHBondContact O-N 3.26Å; K177-Q180 PolarHBondContact O-N 2.89Å; K177-Q180 VanDerWaalsContact O-N 3.15Å; K177-Y181 HydrophobicContact CB-CD2 4.34Å; K177-Y181 HydrophobicContact CB-CE2 4.14Å; K177-Y181 HydrophobicContact CD-CE2 4.44Å; K177-Y181 WeakPolarHBondContact O-CD2 3.36Å; K177-Y181 PolarHBondContact O-N 2.78Å
178	S	94.1	Very high	93.5	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-45.8	178.6	-175	0	0	0	0	111.6	S166 N174 L175 Y181 S182	S166-S178 WeakPolarHBondContact O-CB 3.49Å; S166-S178 PolarHBondContact O-OG 2.88Å; S166-S178 PolarHBondContact OG-O 2.77Å; S166-S178 PolarHBondContact OG-OG 2.93Å; N174-S178 PolarHBondContact O-N 3Å; L175-S178 WeakPolarHBondContact O-CB 3.3Å; L175-S178 PolarHBondContact O-N 2.7Å; L175-S178 VanDerWaalsContact O-N 3.17Å; S178-Y181 PolarHBondContact O-N 2.66Å; S178-S182 PolarHBondContact O-N 2.92Å
179	M	94.9	Very high	93.5	Very high	37 Å²	37	58.1 Å²	58.1	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-45.7	173.4	-174.4	-159.4	56.1	0	0	111.9	L175 K177 Y181 S182 M183 L199 Y202	L175-M179 PolarHBondContact O-N 2.68Å; K177-M179 VanDerWaalsContact C-N 3.31Å; K177-M179 PolarHBondContact O-N 3.26Å; M179-Y181 PolarHBondContact O-N 3.18Å; M179-S182 PolarHBondContact O-N 3.48Å; M179-M183 HydrophobicContact CE-CE 3.71Å; M179-M183 HydrophobicContact CG-CE 3.98Å; M179-M183 WeakPolarHBondContact O-CG 3.32Å; M179-M183 PolarHBondContact O-N 3.29Å; M179-M183 HydrophobicContact SD-CE 4.09Å; M179-L199 HydrophobicContact CB-CD1 4.47Å; M179-L199 HydrophobicContact CG-CD1 3.7Å; M179-Y202 HydrophobicContact CB-CD1 4.09Å; M179-Y202 HydrophobicContact CB-CD2 3.79Å; M179-Y202 HydrophobicContact CB-CE1 4.15Å; M179-Y202 HydrophobicContact CB-CE2 3.84Å; M179-Y202 HydrophobicContact CB-CG 3.92Å; M179-Y202 HydrophobicContact CG-CD1 3.93Å; M179-Y202 HydrophobicContact CG-CD2 4.49Å; M179-Y202 HydrophobicContact CG-CE1 3.82Å; M179-Y202 HydrophobicContact CG-CE2 4.38Å; M179-Y202 HydrophobicContact CG-CG 4.29Å; M179-Y202 HydrophobicContact SD-CD1 4.36Å; M179-Y202 HydrophobicContact SD-CE1 3.64Å; M179-Y202 HydrophobicContact SD-CE2 4.38Å
180	Q	95.2	Very high	93.3	Very high	105 Å²	105	63.2 Å²	63.2	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-46.6	177.9	-73.6	171	10.8	0	0	112.4	E176 K177 M183 L184	E176-Q180 VanDerWaalsContact O-CG 3.3Å; E176-Q180 WeakPolarHBondContact O-CG 3.23Å; E176-Q180 PolarHBondContact O-N 2.83Å; K177-Q180 PolarHBondContact O-N 2.89Å; K177-Q180 VanDerWaalsContact O-N 3.15Å; Q180-M183 PolarHBondContact O-N 2.76Å; Q180-L184 WeakPolarHBondContact O-CG 3.44Å; Q180-L184 PolarHBondContact O-N 3.47Å
181	Y	95.7	Very high	93.3	Very high	27 Å²	27	68.3 Å²	68.3	11%	0.106	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-35.1	177.9	-69.2	-60.5	0	0	0	112.8	F152 L162 L165 K177 S178 M179 L184 A185	F152-Y181 HydrophobicContact CZ-CE1 4.43Å; L162-Y181 HydrophobicContact CD2-CD1 3.99Å; L165-Y181 HydrophobicContact CB-CD1 3.98Å; L165-Y181 HydrophobicContact CB-CD2 3.74Å; L165-Y181 HydrophobicContact CB-CE1 4.22Å; L165-Y181 HydrophobicContact CB-CE2 4Å; L165-Y181 HydrophobicContact CB-CG 3.74Å; L165-Y181 HydrophobicContact CD1-CD1 4.01Å; L165-Y181 HydrophobicContact CD1-CE1 3.67Å; L165-Y181 HydrophobicContact CG-CE1 4.47Å; K177-Y181 HydrophobicContact CB-CD2 4.34Å; K177-Y181 HydrophobicContact CB-CE2 4.14Å; K177-Y181 HydrophobicContact CD-CE2 4.44Å; K177-Y181 WeakPolarHBondContact O-CD2 3.36Å; K177-Y181 PolarHBondContact O-N 2.78Å; S178-Y181 PolarHBondContact O-N 2.66Å; M179-Y181 PolarHBondContact O-N 3.18Å; Y181-L184 HydrophobicContact CD1-CD1 4.16Å; Y181-L184 PolarHBondContact O-N 3.32Å; Y181-A185 WeakPolarHBondContact O-CB 3.41Å; Y181-A185 PolarHBondContact O-N 3.18Å
182	S	94.6	Very high	93.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-45.7	170.2	-83	0	0	0	0	112.1	S166 S178 M179 L184 A185 I186 A195 N198	S166-S182 PolarHBondContact OG-OG 3.41Å; S178-S182 PolarHBondContact O-N 2.92Å; M179-S182 PolarHBondContact O-N 3.48Å; S182-L184 VanDerWaalsContact C-N 3.35Å; S182-L184 PolarHBondContact O-N 2.95Å; S182-A185 WeakPolarHBondContact O-CB 3.38Å; S182-A185 PolarHBondContact O-N 2.94Å; S182-I186 WeakPolarHBondContact O-CG1 3.4Å; S182-I186 PolarHBondContact O-N 3.13Å; S182-A195 PolarHBondContact OG-O 3.11Å; S182-N198 VanDerWaalsContact OG-CB 3.26Å; S182-N198 WeakPolarHBondContact OG-CB 3.47Å
183	M	94.9	Very high	93.5	Very high	87 Å²	87	60.8 Å²	60.8	43%	0.429	29%	0.294	S	S	.	.	H	α-helix	trans	-65.7	-35.4	177	-71.5	-170.9	-65.5	0	0	112.8	M179 Q180 I186 K187	M179-M183 HydrophobicContact CE-CE 3.71Å; M179-M183 HydrophobicContact CG-CE 3.98Å; M179-M183 WeakPolarHBondContact O-CG 3.32Å; M179-M183 PolarHBondContact O-N 3.29Å; M179-M183 HydrophobicContact SD-CE 4.09Å; Q180-M183 PolarHBondContact O-N 2.76Å; M183-I186 PolarHBondContact O-N 3.02Å; M183-K187 WeakPolarHBondContact O-CB 3.16Å; M183-K187 PolarHBondContact O-N 3.06Å
184	L	94.7	Very high	93.7	Very high	71 Å²	71	57.7 Å²	57.7	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-43.7	171.3	-73.4	170.6	0	0	0	111.4	L162 Q180 Y181 S182 I186 K187 V188	L162-L184 HydrophobicContact CD1-CB 4.17Å; L162-L184 HydrophobicContact CD2-CB 3.86Å; L162-L184 HydrophobicContact CD2-CD1 4.17Å; Q180-L184 WeakPolarHBondContact O-CG 3.44Å; Q180-L184 PolarHBondContact O-N 3.47Å; Y181-L184 HydrophobicContact CD1-CD1 4.16Å; Y181-L184 PolarHBondContact O-N 3.32Å; S182-L184 VanDerWaalsContact C-N 3.35Å; S182-L184 PolarHBondContact O-N 2.95Å; L184-I186 PolarHBondContact O-N 3.42Å; L184-K187 PolarHBondContact O-N 2.77Å; L184-V188 WeakPolarHBondContact O-CG2 3.22Å; L184-V188 PolarHBondContact O-N 2.93Å
185	A	93.9	Very high	93.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-44	175.6	0	0	0	0	0	112.2	L159 L162 L163 Y181 S182 K187 V188 N189 A195	L159-A185 HydrophobicContact CD1-CB 3.65Å; L162-A185 HydrophobicContact CB-CB 3.98Å; L163-A185 HydrophobicContact CD2-CB 4.1Å; Y181-A185 WeakPolarHBondContact O-CB 3.41Å; Y181-A185 PolarHBondContact O-N 3.18Å; S182-A185 WeakPolarHBondContact O-CB 3.38Å; S182-A185 PolarHBondContact O-N 2.94Å; A185-K187 VanDerWaalsContact C-N 3.32Å; A185-K187 PolarHBondContact O-N 2.86Å; A185-V188 PolarHBondContact O-N 3.18Å; A185-N189 PolarHBondContact O-N 3.48Å; A185-A195 HydrophobicContact CB-CB 3.68Å
186	I	93.9	Very high	93.9	Very high	30 Å²	30	55.4 Å²	55.4	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-38.4	174.4	-67.3	164	0	0	0	111.3	S182 M183 L184 N189 N190 A195 Y196 L199	S182-I186 WeakPolarHBondContact O-CG1 3.4Å; S182-I186 PolarHBondContact O-N 3.13Å; M183-I186 PolarHBondContact O-N 3.02Å; L184-I186 PolarHBondContact O-N 3.42Å; I186-N189 CarbonylContact O-C 3.51Å; I186-N189 PolarHBondContact O-N 3.25Å; I186-N190 WeakPolarHBondContact O-CA 3.23Å; I186-N190 PolarHBondContact O-N 2.96Å; I186-A195 HydrophobicContact CD1-CB 4.46Å; I186-A195 HydrophobicContact CG1-CB 3.68Å; I186-Y196 HydrophobicContact CD1-CD1 3.74Å; I186-Y196 HydrophobicContact CD1-CE1 3.64Å; I186-Y196 HydrophobicContact CD1-CG 4.34Å; I186-Y196 HydrophobicContact CG1-CD1 4.28Å; I186-Y196 HydrophobicContact CG1-CE1 4.01Å; I186-Y196 HydrophobicContact CG1-CE2 4.24Å; I186-Y196 HydrophobicContact CG2-CE1 4.18Å; I186-Y196 WeakPolarHBondContact CG2-OH 3.33Å; I186-L199 HydrophobicContact CD1-CD2 3.8Å
187	K	93.7	Very high	94	Very high	182 Å²	182	51.4 Å²	51.4	79%	0.791	25%	0.249	S	C	*	.	H	α-helix	trans	-68.7	-33.4	177.6	-172.8	178.6	179	-177.1	0	112.7	M183 L184 A185	M183-K187 WeakPolarHBondContact O-CB 3.16Å; M183-K187 PolarHBondContact O-N 3.06Å; L184-K187 PolarHBondContact O-N 2.77Å; A185-K187 VanDerWaalsContact C-N 3.32Å; A185-K187 PolarHBondContact O-N 2.86Å
188	V	91.7	Very high	94	Very high	59 Å²	59	49.3 Å²	49.3	36%	0.358	24%	0.241	S	C	.	.	H	α-helix	trans	-73.3	-43.6	173.7	169.4	0	0	0	0	111.1	N157 L159 L162 L184 A185	N157-V188 HydrophobicContact CB-CG2 3.98Å; N157-V188 WeakPolarHBondContact O-CG1 3.4Å; L159-V188 HydrophobicContact CB-CG1 4.24Å; L162-V188 HydrophobicContact CD1-CG2 3.83Å; L184-V188 WeakPolarHBondContact O-CG2 3.22Å; L184-V188 PolarHBondContact O-N 2.93Å; A185-V188 PolarHBondContact O-N 3.18Å
189	N	91.7	Very high	94.1	Very high	59 Å²	59	49.8 Å²	49.8	32%	0.316	24%	0.243	S	C	.	.			trans	-145.6	102.6	178.4	-179.5	6	0	0	0	110.9	L159 A185 I186 Q191 C192	L159-N189 HydrophobicContact CD1-CB 4.44Å; L159-N189 HydrophobicContact CD2-CB 3.82Å; A185-N189 PolarHBondContact O-N 3.48Å; I186-N189 CarbonylContact O-C 3.51Å; I186-N189 PolarHBondContact O-N 3.25Å; N189-Q191 PolarHBondContact O-N 3.36Å; N189-Q191 VanDerWaalsContact O-N 3.15Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.41Å; N189-Q191 PolarHBondContact OD1-N 2.88Å; N189-C192 HydrophobicContact CB-CB 4.19Å; N189-C192 VanDerWaalsContact O-CB 3.29Å; N189-C192 WeakPolarHBondContact O-CB 3.5Å; N189-C192 PolarHBondContact O-N 2.93Å; N189-C192 VanDerWaalsContact O-N 3.08Å
190	N	91.9	Very high	94	Very high	108 Å²	108	48 Å²	48	58%	0.578	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-1	179	69.3	-0.6	0	0	0	114.1	I186 Y196	I186-N190 WeakPolarHBondContact O-CA 3.23Å; I186-N190 PolarHBondContact O-N 2.96Å; N190-Y196 WeakPolarHBondContact O-CE2 3.35Å; N190-Y196 PolarHBondContact O-OH 3.44Å
191	Q	92.6	Very high	93.9	Very high	141 Å²	141	44.2 Å²	44.2	66%	0.659	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	4.3	170.9	-58.3	-171.8	-10	0	0	112.8	N189 A193 L222	N189-Q191 PolarHBondContact O-N 3.36Å; N189-Q191 VanDerWaalsContact O-N 3.15Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.41Å; N189-Q191 PolarHBondContact OD1-N 2.88Å; Q191-A193 PolarHBondContact O-N 3.1Å; Q191-A193 VanDerWaalsContact O-N 3.11Å; Q191-L222 HydrophobicContact CB-CD2 4.3Å
192	C	93.1	Very high	93.9	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.027	22%	0.216	C	C	.	.			trans	-76.3	98.4	179.2	-176.9	0	0	0	0	111.9	L159 N189 E194 A195 Y196	L159-C192 HydrophobicContact CD1-CB 4.26Å; L159-C192 HydrophobicContact CD2-CB 4.19Å; N189-C192 HydrophobicContact CB-CB 4.19Å; N189-C192 VanDerWaalsContact O-CB 3.29Å; N189-C192 WeakPolarHBondContact O-CB 3.5Å; N189-C192 PolarHBondContact O-N 2.93Å; N189-C192 VanDerWaalsContact O-N 3.08Å; C192-E194 VanDerWaalsContact C-N 3.26Å; C192-E194 PolarHBondContact O-N 3.12Å; C192-E194 PolarHBondContact SG-OE2 2.93Å; C192-E194 VanDerWaalsContact SG-OE2 3.35Å; C192-A195 HydrophobicContact CB-CB 4.21Å; C192-A195 PolarHBondContact O-N 2.89Å; C192-A195 VanDerWaalsContact O-N 3.16Å; C192-Y196 VanDerWaalsContact O-CD2 3.27Å; C192-Y196 WeakPolarHBondContact O-CD2 3.47Å
193	A	94.5	Very high	93.9	Very high	1 Å²	1	46 Å²	46	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-36.1	178.6	0	0	0	0	0	113.3	Q191 A195 Y196 S197 A219 L222 K223 F226	Q191-A193 PolarHBondContact O-N 3.1Å; Q191-A193 VanDerWaalsContact O-N 3.11Å; A193-A195 VanDerWaalsContact C-N 3.28Å; A193-A195 PolarHBondContact O-N 3.44Å; A193-Y196 PolarHBondContact O-N 3.41Å; A193-S197 PolarHBondContact O-N 2.92Å; A193-A219 HydrophobicContact CB-CB 4.49Å; A193-A219 WeakPolarHBondContact CB-O 3.45Å; A193-A219 WeakPolarHBondContact O-CB 3.28Å; A193-L222 HydrophobicContact CB-CB 3.93Å; A193-K223 HydrophobicContact CB-CB 3.45Å; A193-K223 VanDerWaalsContact CB-CB 3.45Å; A193-K223 HydrophobicContact CB-CD 4.25Å; A193-F226 HydrophobicContact CB-CD1 3.93Å; A193-F226 HydrophobicContact CB-CE1 4.27Å
194	E	93.7	Very high	93.7	Very high	59 Å²	59	45.2 Å²	45.2	28%	0.276	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-36.7	177.8	-63.4	78	-174.1	0	0	112.1	L163 C192 S197 N198 K223 F226	L163-E194 HydrophobicContact CD1-CB 3.81Å; L163-E194 HydrophobicContact CD1-CG 4.4Å; L163-E194 HydrophobicContact CD2-CB 3.73Å; L163-E194 HydrophobicContact CG-CB 4.38Å; C192-E194 VanDerWaalsContact C-N 3.26Å; C192-E194 PolarHBondContact O-N 3.12Å; C192-E194 PolarHBondContact SG-OE2 2.93Å; C192-E194 VanDerWaalsContact SG-OE2 3.35Å; E194-S197 PolarHBondContact O-N 3.12Å; E194-N198 PolarHBondContact O-N 2.83Å; E194-K223 IonicContact OE1-NZ 2.96Å; E194-K223 PolarHBondContact OE1-NZ 2.98Å; E194-F226 HydrophobicContact CG-CE1 4.22Å; E194-F226 HydrophobicContact CG-CZ 4.09Å
195	A	94.4	Very high	93.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.8	-40.4	179.6	0	0	0	0	0	111.9	L163 S182 A185 I186 C192 A193 L199	L163-A195 HydrophobicContact CD2-CB 3.78Å; S182-A195 PolarHBondContact OG-O 3.11Å; A185-A195 HydrophobicContact CB-CB 3.68Å; I186-A195 HydrophobicContact CD1-CB 4.46Å; I186-A195 HydrophobicContact CG1-CB 3.68Å; C192-A195 HydrophobicContact CB-CB 4.21Å; C192-A195 PolarHBondContact O-N 2.89Å; C192-A195 VanDerWaalsContact O-N 3.16Å; A193-A195 VanDerWaalsContact C-N 3.28Å; A193-A195 PolarHBondContact O-N 3.44Å; A195-L199 WeakPolarHBondContact O-CB 3.42Å; A195-L199 PolarHBondContact O-N 3.44Å
196	Y	96.4	Very high	93.4	Very high	30 Å²	30	50.4 Å²	50.4	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-68.8	-37.3	173.4	-65.7	-75.2	0	0	0	112.1	I186 N190 C192 A193 L199 G200 L218 L222	I186-Y196 HydrophobicContact CD1-CD1 3.74Å; I186-Y196 HydrophobicContact CD1-CE1 3.64Å; I186-Y196 HydrophobicContact CD1-CG 4.34Å; I186-Y196 HydrophobicContact CG1-CD1 4.28Å; I186-Y196 HydrophobicContact CG1-CE1 4.01Å; I186-Y196 HydrophobicContact CG1-CE2 4.24Å; I186-Y196 HydrophobicContact CG2-CE1 4.18Å; I186-Y196 WeakPolarHBondContact CG2-OH 3.33Å; N190-Y196 WeakPolarHBondContact O-CE2 3.35Å; N190-Y196 PolarHBondContact O-OH 3.44Å; C192-Y196 VanDerWaalsContact O-CD2 3.27Å; C192-Y196 WeakPolarHBondContact O-CD2 3.47Å; A193-Y196 PolarHBondContact O-N 3.41Å; Y196-L199 PolarHBondContact O-N 3.14Å; Y196-G200 PolarHBondContact O-N 3.24Å; Y196-L218 HydrophobicContact CD1-CD2 3.63Å; Y196-L218 HydrophobicContact CD1-CG 4.19Å; Y196-L218 HydrophobicContact CD2-CD2 4.39Å; Y196-L218 HydrophobicContact CD2-CG 4.29Å; Y196-L218 HydrophobicContact CE1-CD2 3.38Å; Y196-L218 HydrophobicContact CE1-CG 4.27Å; Y196-L218 HydrophobicContact CE2-CD2 4.19Å; Y196-L218 HydrophobicContact CE2-CG 4.37Å; Y196-L218 HydrophobicContact CG-CD2 4.13Å; Y196-L218 HydrophobicContact CG-CG 4.19Å; Y196-L222 HydrophobicContact CD2-CD1 3.43Å; Y196-L222 VanDerWaalsContact CD2-CD1 3.43Å; Y196-L222 HydrophobicContact CE2-CD1 3.39Å
197	S	95	Very high	93.2	Very high	4 Å²	4	52 Å²	52	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-44.6	175.1	-169.4	0	0	0	0	111.9	A193 E194 G200 N201 Y216	A193-S197 PolarHBondContact O-N 2.92Å; E194-S197 PolarHBondContact O-N 3.12Å; S197-G200 PolarHBondContact O-N 2.98Å; S197-N201 PolarHBondContact O-N 3.47Å; S197-N201 PolarHBondContact O-ND2 3.26Å; S197-Y216 WeakPolarHBondContact O-CE1 3.23Å
198	N	94.1	Very high	93.2	Very high	30 Å²	30	46.9 Å²	46.9	16%	0.16	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-41.2	173.6	-76	-11.7	0	0	0	112.6	L163 S182 E194 G200 N201 Y202	L163-N198 PolarHBondContact O-ND2 3.48Å; S182-N198 VanDerWaalsContact OG-CB 3.26Å; S182-N198 WeakPolarHBondContact OG-CB 3.47Å; E194-N198 PolarHBondContact O-N 2.83Å; N198-G200 VanDerWaalsContact C-N 3.33Å; N198-G200 PolarHBondContact O-N 3.42Å; N198-N201 WeakPolarHBondContact O-CB 3.44Å; N198-N201 PolarHBondContact O-N 2.84Å; N198-Y202 PolarHBondContact O-N 3.08Å; N198-Y202 VanDerWaalsContact O-N 3.09Å
199	L	94.8	Very high	93.2	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-34.8	176.4	-172.8	59	0	0	0	112	M179 I186 A195 Y196 Y202 Y203 N215	M179-L199 HydrophobicContact CB-CD1 4.47Å; M179-L199 HydrophobicContact CG-CD1 3.7Å; I186-L199 HydrophobicContact CD1-CD2 3.8Å; A195-L199 WeakPolarHBondContact O-CB 3.42Å; A195-L199 PolarHBondContact O-N 3.44Å; Y196-L199 PolarHBondContact O-N 3.14Å; L199-Y202 HydrophobicContact CD1-CD1 4.14Å; L199-Y202 WeakPolarHBondContact O-CB 3.5Å; L199-Y202 PolarHBondContact O-N 3.19Å; L199-Y203 HydrophobicContact CD1-CD2 4.32Å; L199-Y203 HydrophobicContact CD1-CE2 3.81Å; L199-Y203 HydrophobicContact CD2-CE2 4.15Å; L199-Y203 HydrophobicContact CG-CD2 4.05Å; L199-Y203 HydrophobicContact CG-CE2 3.63Å; L199-Y203 WeakPolarHBondContact O-CD2 3.06Å; L199-Y203 PolarHBondContact O-N 3.1Å; L199-Y203 VanDerWaalsContact O-N 3.09Å; L199-N215 WeakPolarHBondContact CD2-OD1 3.18Å
200	G	94.4	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-42.5	170.8	0	0	0	0	0	112.6	Y196 S197 N198 Y202 Y203 K204 A212 Y216	Y196-G200 PolarHBondContact O-N 3.24Å; S197-G200 PolarHBondContact O-N 2.98Å; N198-G200 VanDerWaalsContact C-N 3.33Å; N198-G200 PolarHBondContact O-N 3.42Å; G200-Y202 VanDerWaalsContact C-N 3.35Å; G200-Y202 PolarHBondContact O-N 3.11Å; G200-Y203 PolarHBondContact O-N 2.9Å; G200-K204 WeakPolarHBondContact O-CB 3.41Å; G200-K204 PolarHBondContact O-N 2.8Å; G200-A212 WeakPolarHBondContact O-CB 3.38Å; G200-Y216 VanDerWaalsContact C-CZ 3.43Å; G200-Y216 PolarHBondContact O-OH 3.13Å
201	N	92.9	Very high	93.3	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-42.9	174.5	-66.8	-25.7	0	0	0	112	F170 S197 N198 K204 E205 Y216	F170-N201 HydrophobicContact CD2-CB 4.25Å; F170-N201 HydrophobicContact CE1-CB 4.42Å; F170-N201 VanDerWaalsContact CE2-C 3.49Å; F170-N201 HydrophobicContact CE2-CB 3.71Å; F170-N201 WeakPolarHBondContact CE2-O 3.4Å; F170-N201 HydrophobicContact CZ-CB 3.8Å; S197-N201 PolarHBondContact O-N 3.47Å; S197-N201 PolarHBondContact O-ND2 3.26Å; N198-N201 WeakPolarHBondContact O-CB 3.44Å; N198-N201 PolarHBondContact O-N 2.84Å; N201-K204 PolarHBondContact O-N 3.23Å; N201-E205 PolarHBondContact O-N 3.06Å; N201-E205 VanDerWaalsContact O-N 3.09Å; N201-Y216 WeakPolarHBondContact CA-OH 3.16Å; N201-Y216 PolarHBondContact N-OH 2.99Å; N201-Y216 WeakPolarHBondContact OD1-CE1 3.41Å; N201-Y216 PolarHBondContact OD1-OH 2.99Å
202	Y	94.5	Very high	93.4	Very high	20 Å²	20	40.1 Å²	40.1	8%	0.078	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-51.1	173.5	163.3	-93.6	0	0	0	112	L175 M179 N198 L199 G200 K204 E205 K206	L175-Y202 HydrophobicContact CB-CD2 3.85Å; L175-Y202 HydrophobicContact CB-CE2 3.87Å; L175-Y202 VanDerWaalsContact O-CD2 3.25Å; L175-Y202 WeakPolarHBondContact O-CD2 3.46Å; L175-Y202 WeakPolarHBondContact O-CE2 3.19Å; M179-Y202 HydrophobicContact CB-CD1 4.09Å; M179-Y202 HydrophobicContact CB-CD2 3.79Å; M179-Y202 HydrophobicContact CB-CE1 4.15Å; M179-Y202 HydrophobicContact CB-CE2 3.84Å; M179-Y202 HydrophobicContact CB-CG 3.92Å; M179-Y202 HydrophobicContact CG-CD1 3.93Å; M179-Y202 HydrophobicContact CG-CD2 4.49Å; M179-Y202 HydrophobicContact CG-CE1 3.82Å; M179-Y202 HydrophobicContact CG-CE2 4.38Å; M179-Y202 HydrophobicContact CG-CG 4.29Å; M179-Y202 HydrophobicContact SD-CD1 4.36Å; M179-Y202 HydrophobicContact SD-CE1 3.64Å; M179-Y202 HydrophobicContact SD-CE2 4.38Å; N198-Y202 PolarHBondContact O-N 3.08Å; N198-Y202 VanDerWaalsContact O-N 3.09Å; L199-Y202 HydrophobicContact CD1-CD1 4.14Å; L199-Y202 WeakPolarHBondContact O-CB 3.5Å; L199-Y202 PolarHBondContact O-N 3.19Å; G200-Y202 VanDerWaalsContact C-N 3.35Å; G200-Y202 PolarHBondContact O-N 3.11Å; Y202-K204 VanDerWaalsContact C-N 3.31Å; Y202-K204 PolarHBondContact O-N 2.74Å; Y202-E205 PolarHBondContact O-N 3.21Å; Y202-K206 HydrophobicContact CD2-CG 4.43Å; Y202-K206 HydrophobicContact CE1-CG 4.2Å; Y202-K206 HydrophobicContact CE2-CD 4.42Å; Y202-K206 HydrophobicContact CE2-CG 3.9Å; Y202-K206 PolarHBondContact O-N 2.79Å; Y202-K206 VanDerWaalsContact O-N 3.09Å
203	Y	94.6	Very high	93.5	Very high	44 Å²	44	40.9 Å²	40.9	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-36.4	-179.1	-75.3	-56.4	0	0	0	112.4	L199 G200 K206 G207 Q208 D211 N215	L199-Y203 HydrophobicContact CD1-CD2 4.32Å; L199-Y203 HydrophobicContact CD1-CE2 3.81Å; L199-Y203 HydrophobicContact CD2-CE2 4.15Å; L199-Y203 HydrophobicContact CG-CD2 4.05Å; L199-Y203 HydrophobicContact CG-CE2 3.63Å; L199-Y203 WeakPolarHBondContact O-CD2 3.06Å; L199-Y203 PolarHBondContact O-N 3.1Å; L199-Y203 VanDerWaalsContact O-N 3.09Å; G200-Y203 PolarHBondContact O-N 2.9Å; Y203-K206 CarbonylContact O-C 3.55Å; Y203-K206 PolarHBondContact O-N 3.4Å; Y203-G207 PolarHBondContact O-N 3.35Å; Y203-Q208 HydrophobicContact CD1-CB 3.94Å; Y203-Q208 HydrophobicContact CD1-CG 4.46Å; Y203-Q208 HydrophobicContact CG-CB 4.46Å; Y203-Q208 PolarHBondContact O-N 2.92Å; Y203-D211 HydrophobicContact CD1-CB 3.62Å; Y203-D211 HydrophobicContact CD2-CB 3.65Å; Y203-D211 HydrophobicContact CE1-CB 3.96Å; Y203-D211 HydrophobicContact CE2-CB 3.97Å; Y203-D211 HydrophobicContact CG-CB 3.46Å; Y203-D211 VanDerWaalsContact CG-CB 3.46Å; Y203-N215 WeakPolarHBondContact CE2-ND2 3.39Å
204	K	91.6	Very high	93.5	Very high	72 Å²	72	45.9 Å²	45.9	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-46.5	174.5	-174.2	-179.5	175.5	-177.3	0	112	G200 N201 Y202 K206 G207 A212	G200-K204 WeakPolarHBondContact O-CB 3.41Å; G200-K204 PolarHBondContact O-N 2.8Å; N201-K204 PolarHBondContact O-N 3.23Å; Y202-K204 VanDerWaalsContact C-N 3.31Å; Y202-K204 PolarHBondContact O-N 2.74Å; K204-K206 VanDerWaalsContact C-N 3.29Å; K204-K206 PolarHBondContact O-N 3.09Å; K204-G207 PolarHBondContact O-N 3.39Å; K204-G207 VanDerWaalsContact O-N 3.08Å; K204-A212 HydrophobicContact CB-CB 4.06Å
205	E	90.4	Very high	93.6	Very high	96 Å²	96	44.1 Å²	44.1	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-28.3	175.3	-77.9	-84	148	0	0	113.3	F170 K173 L175 N201 Y202 G207	F170-E205 HydrophobicContact CE2-CB 4.32Å; F170-E205 HydrophobicContact CE2-CG 3.56Å; F170-E205 HydrophobicContact CZ-CG 3.49Å; F170-E205 VanDerWaalsContact CZ-CG 3.49Å; K173-E205 IonicContact NZ-OE1 3.61Å; K173-E205 PolarHBondContact NZ-OE1 2.72Å; K173-E205 VanDerWaalsContact NZ-OE1 3.13Å; K173-E205 IonicContact NZ-OE2 3.65Å; K173-E205 PolarHBondContact NZ-OE2 2.94Å; L175-E205 HydrophobicContact CD1-CB 4.1Å; L175-E205 HydrophobicContact CD2-CB 4.27Å; L175-E205 HydrophobicContact CD2-CG 4.49Å; N201-E205 PolarHBondContact O-N 3.06Å; N201-E205 VanDerWaalsContact O-N 3.09Å; Y202-E205 PolarHBondContact O-N 3.21Å; E205-G207 VanDerWaalsContact C-N 3.25Å; E205-G207 PolarHBondContact O-N 3.08Å
206	K	91.7	Very high	93.7	Very high	84 Å²	84	44.1 Å²	44.1	37%	0.365	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2	172.6	-68.6	-65.5	-171.3	179.1	0	114	L175 E176 Y202 Y203 K204 Q208	L175-K206 HydrophobicContact CD1-CD 4.31Å; E176-K206 WeakPolarHBondContact OE1-CE 3.33Å; E176-K206 IonicContact OE1-NZ 2.68Å; E176-K206 PolarHBondContact OE1-NZ 2.75Å; Y202-K206 HydrophobicContact CD2-CG 4.43Å; Y202-K206 HydrophobicContact CE1-CG 4.2Å; Y202-K206 HydrophobicContact CE2-CD 4.42Å; Y202-K206 HydrophobicContact CE2-CG 3.9Å; Y202-K206 PolarHBondContact O-N 2.79Å; Y202-K206 VanDerWaalsContact O-N 3.09Å; Y203-K206 CarbonylContact O-C 3.55Å; Y203-K206 PolarHBondContact O-N 3.4Å; K204-K206 VanDerWaalsContact C-N 3.29Å; K204-K206 PolarHBondContact O-N 3.09Å; K206-Q208 HydrophobicContact CB-CG 4.18Å; K206-Q208 PolarHBondContact O-N 2.94Å
207	G	89.2	Confident	93.6	Very high	63 Å²	63	46.9 Å²	46.9	65%	0.649	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	7.9	-173.6	0	0	0	0	0	114.2	Y203 K204 E205 L209	Y203-G207 PolarHBondContact O-N 3.35Å; K204-G207 PolarHBondContact O-N 3.39Å; K204-G207 VanDerWaalsContact O-N 3.08Å; E205-G207 VanDerWaalsContact C-N 3.25Å; E205-G207 PolarHBondContact O-N 3.08Å; G207-L209 VanDerWaalsContact C-N 3.26Å; G207-L209 PolarHBondContact O-N 3.3Å
208	Q	93.4	Very high	93.6	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	25%	0.25	S	S	.	.			trans	-82.8	69.9	178.6	-70.3	-172.2	-102.7	0	0	110.2	Y203 K206 Q210 D211 A212	Y203-Q208 HydrophobicContact CD1-CB 3.94Å; Y203-Q208 HydrophobicContact CD1-CG 4.46Å; Y203-Q208 HydrophobicContact CG-CB 4.46Å; Y203-Q208 PolarHBondContact O-N 2.92Å; K206-Q208 HydrophobicContact CB-CG 4.18Å; K206-Q208 PolarHBondContact O-N 2.94Å; Q208-Q210 VanDerWaalsContact C-N 3.34Å; Q208-Q210 PolarHBondContact O-N 2.96Å; Q208-D211 HydrophobicContact CB-CB 4.27Å; Q208-D211 WeakPolarHBondContact CB-OD2 3.35Å; Q208-D211 PolarHBondContact NE2-OD2 3.32Å; Q208-D211 PolarHBondContact O-N 3.16Å; Q208-A212 PolarHBondContact O-N 2.94Å
209	L	91.7	Very high	93.6	Very high	48 Å²	48	48.1 Å²	48.1	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-37.5	-167.2	-168.2	66.1	0	0	0	113.6	G207 A212 L213 A236	G207-L209 VanDerWaalsContact C-N 3.26Å; G207-L209 PolarHBondContact O-N 3.3Å; L209-A212 WeakPolarHBondContact O-CB 3.48Å; L209-A212 PolarHBondContact O-N 3.28Å; L209-L213 HydrophobicContact CG-CD1 4.35Å; L209-L213 VanDerWaalsContact O-CG 3.29Å; L209-L213 WeakPolarHBondContact O-CG 3.26Å; L209-L213 PolarHBondContact O-N 3.13Å; L209-A236 HydrophobicContact CD1-CB 3.97Å
210	Q	92.7	Very high	93.6	Very high	121 Å²	121	48.4 Å²	48.4	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-62.8	-49.8	178.5	-177.8	61.8	24.8	0	0	111.4	Q208 A212 L213 E214	Q208-Q210 VanDerWaalsContact C-N 3.34Å; Q208-Q210 PolarHBondContact O-N 2.96Å; Q210-A212 VanDerWaalsContact C-N 3.27Å; Q210-A212 PolarHBondContact O-N 3.13Å; Q210-L213 PolarHBondContact O-N 3.1Å; Q210-E214 PolarHBondContact NE2-OE1 3.17Å; Q210-E214 PolarHBondContact O-N 2.88Å
211	D	93.9	Very high	93.6	Very high	56 Å²	56	56.5 Å²	56.5	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-38.7	176.6	-58.9	-73.9	0	0	0	111.2	Y203 Q208 N215	Y203-D211 HydrophobicContact CD1-CB 3.62Å; Y203-D211 HydrophobicContact CD2-CB 3.65Å; Y203-D211 HydrophobicContact CE1-CB 3.96Å; Y203-D211 HydrophobicContact CE2-CB 3.97Å; Y203-D211 HydrophobicContact CG-CB 3.46Å; Y203-D211 VanDerWaalsContact CG-CB 3.46Å; Q208-D211 HydrophobicContact CB-CB 4.27Å; Q208-D211 WeakPolarHBondContact CB-OD2 3.35Å; Q208-D211 PolarHBondContact NE2-OD2 3.32Å; Q208-D211 PolarHBondContact O-N 3.16Å; D211-N215 WeakPolarHBondContact O-CB 3.02Å; D211-N215 PolarHBondContact O-N 3.29Å; D211-N215 VanDerWaalsContact O-N 3.14Å; D211-N215 PolarHBondContact O-ND2 3.12Å
212	A	94.7	Very high	93.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-48.8	175.4	0	0	0	0	0	111.9	G200 K204 Q208 L209 Q210 E214 N215 Y216	G200-A212 WeakPolarHBondContact O-CB 3.38Å; K204-A212 HydrophobicContact CB-CB 4.06Å; Q208-A212 PolarHBondContact O-N 2.94Å; L209-A212 WeakPolarHBondContact O-CB 3.48Å; L209-A212 PolarHBondContact O-N 3.28Å; Q210-A212 VanDerWaalsContact C-N 3.27Å; Q210-A212 PolarHBondContact O-N 3.13Å; A212-E214 PolarHBondContact O-N 2.87Å; A212-N215 PolarHBondContact O-N 2.86Å; A212-Y216 HydrophobicContact CB-CD2 4.42Å; A212-Y216 HydrophobicContact CB-CE2 4Å; A212-Y216 WeakPolarHBondContact O-CD2 3.32Å; A212-Y216 PolarHBondContact O-N 2.79Å
213	L	94.4	Very high	93.7	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-42.2	178.8	-72.8	174.7	0	0	0	112.5	L209 Q210 K217 L233 A236 L237	L209-L213 HydrophobicContact CG-CD1 4.35Å; L209-L213 VanDerWaalsContact O-CG 3.29Å; L209-L213 WeakPolarHBondContact O-CG 3.26Å; L209-L213 PolarHBondContact O-N 3.13Å; Q210-L213 PolarHBondContact O-N 3.1Å; L213-K217 VanDerWaalsContact O-CB 3.26Å; L213-K217 WeakPolarHBondContact O-CB 3.32Å; L213-K217 WeakPolarHBondContact O-CG 3.44Å; L213-K217 PolarHBondContact O-N 2.98Å; L213-L233 HydrophobicContact CD2-CD1 3.84Å; L213-A236 HydrophobicContact CD2-CB 3.68Å; L213-A236 HydrophobicContact CG-CB 4.39Å; L213-L237 HydrophobicContact CD1-CD2 4.24Å; L213-L237 HydrophobicContact CD2-CB 4.47Å; L213-L237 HydrophobicContact CD2-CD2 3.56Å; L213-L237 HydrophobicContact CD2-CG 3.59Å
214	E	94.9	Very high	93.6	Very high	107 Å²	107	63.3 Å²	63.3	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-43.2	177.5	-72.7	179.8	-161.2	0	0	111.9	Q210 A212 K217 L218	Q210-E214 PolarHBondContact NE2-OE1 3.17Å; Q210-E214 PolarHBondContact O-N 2.88Å; A212-E214 PolarHBondContact O-N 2.87Å; E214-K217 PolarHBondContact O-N 3.48Å; E214-L218 WeakPolarHBondContact O-CB 3.21Å; E214-L218 PolarHBondContact O-N 2.9Å
215	N	95.5	Very high	93.6	Very high	22 Å²	22	67.1 Å²	67.1	12%	0.118	34%	0.34	C	S	.	.	H	α-helix	trans	-67.4	-42.5	178.1	-81.7	-82	0	0	0	112.7	L199 Y203 D211 A212 L218 A219	L199-N215 WeakPolarHBondContact CD2-OD1 3.18Å; Y203-N215 WeakPolarHBondContact CE2-ND2 3.39Å; D211-N215 WeakPolarHBondContact O-CB 3.02Å; D211-N215 PolarHBondContact O-N 3.29Å; D211-N215 VanDerWaalsContact O-N 3.14Å; D211-N215 PolarHBondContact O-ND2 3.12Å; A212-N215 PolarHBondContact O-N 2.86Å; N215-L218 PolarHBondContact O-N 3.14Å; N215-A219 PolarHBondContact O-N 3.38Å
216	Y	96.3	Very high	93.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-41.3	174.1	-62.7	-49.1	0	0	0	112.4	S197 G200 N201 A212 L218 A219 V220 N232 A236	S197-Y216 WeakPolarHBondContact O-CE1 3.23Å; G200-Y216 VanDerWaalsContact C-CZ 3.43Å; G200-Y216 PolarHBondContact O-OH 3.13Å; N201-Y216 WeakPolarHBondContact CA-OH 3.16Å; N201-Y216 PolarHBondContact N-OH 2.99Å; N201-Y216 WeakPolarHBondContact OD1-CE1 3.41Å; N201-Y216 PolarHBondContact OD1-OH 2.99Å; A212-Y216 HydrophobicContact CB-CD2 4.42Å; A212-Y216 HydrophobicContact CB-CE2 4Å; A212-Y216 WeakPolarHBondContact O-CD2 3.32Å; A212-Y216 PolarHBondContact O-N 2.79Å; Y216-L218 VanDerWaalsContact C-N 3.28Å; Y216-L218 PolarHBondContact O-N 3.1Å; Y216-A219 WeakPolarHBondContact O-CB 3.45Å; Y216-A219 PolarHBondContact O-N 2.99Å; Y216-V220 PolarHBondContact O-N 3.21Å; Y216-N232 HydrophobicContact CD1-CB 4.04Å; Y216-N232 HydrophobicContact CE1-CB 3.55Å; Y216-N232 HydrophobicContact CE2-CB 4.29Å; Y216-A236 HydrophobicContact CD2-CB 4.14Å; Y216-A236 HydrophobicContact CE2-CB 3.91Å
217	K	95.1	Very high	93.8	Very high	87 Å²	87	61.5 Å²	61.5	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-37	174.9	-77.6	175.2	176.1	-175.9	0	111.7	L213 E214 V220 K221 L233	L213-K217 VanDerWaalsContact O-CB 3.26Å; L213-K217 WeakPolarHBondContact O-CB 3.32Å; L213-K217 WeakPolarHBondContact O-CG 3.44Å; L213-K217 PolarHBondContact O-N 2.98Å; E214-K217 PolarHBondContact O-N 3.48Å; K217-V220 WeakPolarHBondContact O-CG2 3.25Å; K217-K221 VanDerWaalsContact O-CB 3.31Å; K217-K221 WeakPolarHBondContact O-CB 3.45Å; K217-K221 PolarHBondContact O-N 2.99Å; K217-L233 HydrophobicContact CG-CD1 3.9Å; K217-L233 HydrophobicContact CG-CD2 4.28Å
218	L	94.8	Very high	93.9	Very high	61 Å²	61	63 Å²	63	32%	0.319	31%	0.309	S	S	.	.	H	α-helix	trans	-71.1	-39.4	174.4	-173.4	53.1	0	0	0	112.3	Y196 E214 N215 Y216 K221 L222	Y196-L218 HydrophobicContact CD1-CD2 3.63Å; Y196-L218 HydrophobicContact CD1-CG 4.19Å; Y196-L218 HydrophobicContact CD2-CD2 4.39Å; Y196-L218 HydrophobicContact CD2-CG 4.29Å; Y196-L218 HydrophobicContact CE1-CD2 3.38Å; Y196-L218 HydrophobicContact CE1-CG 4.27Å; Y196-L218 HydrophobicContact CE2-CD2 4.19Å; Y196-L218 HydrophobicContact CE2-CG 4.37Å; Y196-L218 HydrophobicContact CG-CD2 4.13Å; Y196-L218 HydrophobicContact CG-CG 4.19Å; E214-L218 WeakPolarHBondContact O-CB 3.21Å; E214-L218 PolarHBondContact O-N 2.9Å; N215-L218 PolarHBondContact O-N 3.14Å; Y216-L218 VanDerWaalsContact C-N 3.28Å; Y216-L218 PolarHBondContact O-N 3.1Å; L218-K221 PolarHBondContact O-N 3.38Å; L218-L222 HydrophobicContact CD1-CD1 4.21Å; L218-L222 HydrophobicContact CD1-CG 4.23Å; L218-L222 HydrophobicContact CG-CD1 4.1Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 3.08Å
219	A	94.7	Very high	93.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-49.7	175.5	0	0	0	0	0	112.4	A193 N215 Y216 K221 L222 K223 F226 A229	A193-A219 HydrophobicContact CB-CB 4.49Å; A193-A219 WeakPolarHBondContact CB-O 3.45Å; A193-A219 WeakPolarHBondContact O-CB 3.28Å; N215-A219 PolarHBondContact O-N 3.38Å; Y216-A219 WeakPolarHBondContact O-CB 3.45Å; Y216-A219 PolarHBondContact O-N 2.99Å; A219-K221 VanDerWaalsContact C-N 3.31Å; A219-K221 PolarHBondContact O-N 3.25Å; A219-L222 PolarHBondContact O-N 3.09Å; A219-K223 PolarHBondContact O-N 2.75Å; A219-F226 HydrophobicContact CB-CD1 4.49Å; A219-A229 HydrophobicContact CB-CB 4.01Å
220	V	94.7	Very high	94.1	Very high	16 Å²	16	58.6 Å²	58.6	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-30.4	177.9	-59.7	0	0	0	0	112.6	Y216 K217 K223 P224 A229 Y230 L233	Y216-V220 PolarHBondContact O-N 3.21Å; K217-V220 WeakPolarHBondContact O-CG2 3.25Å; V220-K223 CarbonylContact O-C 3.48Å; V220-K223 VanDerWaalsContact O-C 3.27Å; V220-P224 VanDerWaalsContact O-CA 3.32Å; V220-P224 WeakPolarHBondContact O-CA 3.37Å; V220-A229 HydrophobicContact CG1-CB 3.63Å; V220-Y230 HydrophobicContact CB-CD1 4.33Å; V220-Y230 HydrophobicContact CB-CE1 3.84Å; V220-Y230 HydrophobicContact CB-CE2 4.12Å; V220-Y230 HydrophobicContact CG1-CD1 3.76Å; V220-Y230 HydrophobicContact CG1-CD2 3.93Å; V220-Y230 HydrophobicContact CG1-CE1 3.79Å; V220-Y230 HydrophobicContact CG1-CE2 3.97Å; V220-Y230 HydrophobicContact CG1-CG 3.83Å; V220-Y230 HydrophobicContact CG2-CE1 4.12Å; V220-L233 HydrophobicContact CG2-CD2 4.24Å
221	K	94.6	Very high	94.2	Very high	171 Å²	171	54.9 Å²	54.9	74%	0.743	27%	0.269	S	S	*	.	H	α-helix	trans	-67.8	-36.9	174.1	-177.1	-179.6	178.8	-178	0	112.6	K217 L218 A219	K217-K221 VanDerWaalsContact O-CB 3.31Å; K217-K221 WeakPolarHBondContact O-CB 3.45Å; K217-K221 PolarHBondContact O-N 2.99Å; L218-K221 PolarHBondContact O-N 3.38Å; A219-K221 VanDerWaalsContact C-N 3.31Å; A219-K221 PolarHBondContact O-N 3.25Å
222	L	94.2	Very high	94.2	Very high	61 Å²	61	54.2 Å²	54.2	32%	0.319	27%	0.266	S	S	.	.	H	α-helix	trans	-77.4	-33.7	178.3	-72.8	170.6	0	0	0	112.5	Q191 A193 Y196 L218 A219	Q191-L222 HydrophobicContact CB-CD2 4.3Å; A193-L222 HydrophobicContact CB-CB 3.93Å; Y196-L222 HydrophobicContact CD2-CD1 3.43Å; Y196-L222 VanDerWaalsContact CD2-CD1 3.43Å; Y196-L222 HydrophobicContact CE2-CD1 3.39Å; L218-L222 HydrophobicContact CD1-CD1 4.21Å; L218-L222 HydrophobicContact CD1-CG 4.23Å; L218-L222 HydrophobicContact CG-CD1 4.1Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 3.08Å; A219-L222 PolarHBondContact O-N 3.09Å
223	K	93.9	Very high	94.2	Very high	85 Å²	85	54.7 Å²	54.7	37%	0.37	27%	0.268	S	S	.	.			trans	-135.6	87.6	178.9	-171.2	179.2	-179.5	-176.4	0	110.1	A193 E194 A219 V220 E225 F226	A193-K223 HydrophobicContact CB-CB 3.45Å; A193-K223 VanDerWaalsContact CB-CB 3.45Å; A193-K223 HydrophobicContact CB-CD 4.25Å; E194-K223 IonicContact OE1-NZ 2.96Å; E194-K223 PolarHBondContact OE1-NZ 2.98Å; A219-K223 PolarHBondContact O-N 2.75Å; V220-K223 CarbonylContact O-C 3.48Å; V220-K223 VanDerWaalsContact O-C 3.27Å; K223-E225 PolarHBondContact O-N 2.71Å; K223-F226 HydrophobicContact CB-CB 4.05Å; K223-F226 HydrophobicContact CD-CB 3.98Å; K223-F226 HydrophobicContact CD-CD1 4.29Å; K223-F226 HydrophobicContact CD-CG 4.16Å; K223-F226 HydrophobicContact CG-CB 3.95Å; K223-F226 WeakPolarHBondContact O-CB 3.36Å; K223-F226 PolarHBondContact O-N 3.41Å
224	P	92.9	Very high	94.3	Very high	85 Å²	85	53.8 Å²	53.8	55%	0.552	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.6	-176.3	-28.1	37.2	0	0	0	116	V220 Y230	V220-P224 VanDerWaalsContact O-CA 3.32Å; V220-P224 WeakPolarHBondContact O-CA 3.37Å; P224-Y230 WeakPolarHBondContact O-CE2 3.25Å
225	E	92.4	Very high	94.1	Very high	152 Å²	152	50 Å²	50	71%	0.71	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	10	175.1	-63.7	-179.8	-174.3	0	0	113.2	K223 I227 I256	K223-E225 PolarHBondContact O-N 2.71Å; E225-I227 PolarHBondContact O-N 2.84Å; E225-I256 HydrophobicContact CB-CG2 4.37Å
226	F	93.4	Very high	94	Very high	23 Å²	23	49 Å²	49	10%	0.101	25%	0.245	C	C	.	.			trans	-82.3	83.2	-175.2	-163.7	-176.4	0	0	0	112.8	A193 E194 A219 K223 D228 A229 Y230	A193-F226 HydrophobicContact CB-CD1 3.93Å; A193-F226 HydrophobicContact CB-CE1 4.27Å; E194-F226 HydrophobicContact CG-CE1 4.22Å; E194-F226 HydrophobicContact CG-CZ 4.09Å; A219-F226 HydrophobicContact CB-CD1 4.49Å; K223-F226 HydrophobicContact CB-CB 4.05Å; K223-F226 HydrophobicContact CD-CB 3.98Å; K223-F226 HydrophobicContact CD-CD1 4.29Å; K223-F226 HydrophobicContact CD-CG 4.16Å; K223-F226 HydrophobicContact CG-CB 3.95Å; K223-F226 WeakPolarHBondContact O-CB 3.36Å; K223-F226 PolarHBondContact O-N 3.41Å; F226-D228 HydrophobicContact CD2-CB 4.29Å; F226-D228 HydrophobicContact CE2-CB 3.87Å; F226-D228 PolarHBondContact O-N 2.78Å; F226-A229 HydrophobicContact CB-CB 4.11Å; F226-A229 HydrophobicContact CD1-CB 3.54Å; F226-A229 HydrophobicContact CD2-CB 4.34Å; F226-A229 HydrophobicContact CE1-CB 4Å; F226-A229 HydrophobicContact CG-CB 3.73Å; F226-A229 PolarHBondContact O-N 2.76Å; F226-A229 VanDerWaalsContact O-N 3.11Å; F226-Y230 WeakPolarHBondContact O-CD2 3.25Å; F226-Y230 PolarHBondContact O-N 2.85Å
227	I	93.2	Very high	93.9	Very high	39 Å²	39	49 Å²	49	20%	0.2	25%	0.245	C	C	.	.	H	α-helix	trans	-45.6	-53.9	179.4	-66.1	161.6	0	0	0	112.7	E225 A229 Y230 I231 I256 N257 L260	E225-I227 PolarHBondContact O-N 2.84Å; I227-A229 VanDerWaalsContact C-N 3.25Å; I227-A229 PolarHBondContact O-N 3.09Å; I227-Y230 WeakPolarHBondContact O-CB 3.41Å; I227-Y230 PolarHBondContact O-N 2.64Å; I227-I231 HydrophobicContact CG2-CD1 3.67Å; I227-I231 HydrophobicContact CG2-CG1 4.34Å; I227-I231 PolarHBondContact O-N 3.17Å; I227-I256 HydrophobicContact CD1-CB 4.39Å; I227-I256 HydrophobicContact CD1-CG2 3.85Å; I227-I256 HydrophobicContact CG1-CB 3.92Å; I227-I256 HydrophobicContact CG1-CD1 4.24Å; I227-I256 HydrophobicContact CG1-CG2 3.7Å; I227-N257 HydrophobicContact CD1-CB 3.75Å; I227-L260 HydrophobicContact CG2-CD1 3.6Å
228	D	90.8	Very high	93.8	Very high	96 Å²	96	47.7 Å²	47.7	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-32.3	-175.2	-56.1	-40.9	0	0	0	112.8	F226 I231 N232	F226-D228 HydrophobicContact CD2-CB 4.29Å; F226-D228 HydrophobicContact CE2-CB 3.87Å; F226-D228 PolarHBondContact O-N 2.78Å; D228-I231 PolarHBondContact O-N 3.31Å; D228-N232 WeakPolarHBondContact O-CB 3.28Å; D228-N232 PolarHBondContact O-N 2.82Å; D228-N232 PolarHBondContact O-ND2 2.87Å
229	A	93.1	Very high	93.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-36.4	176	0	0	0	0	0	111.5	A219 V220 F226 I227 L233	A219-A229 HydrophobicContact CB-CB 4.01Å; V220-A229 HydrophobicContact CG1-CB 3.63Å; F226-A229 HydrophobicContact CB-CB 4.11Å; F226-A229 HydrophobicContact CD1-CB 3.54Å; F226-A229 HydrophobicContact CD2-CB 4.34Å; F226-A229 HydrophobicContact CE1-CB 4Å; F226-A229 HydrophobicContact CG-CB 3.73Å; F226-A229 PolarHBondContact O-N 2.76Å; F226-A229 VanDerWaalsContact O-N 3.11Å; I227-A229 VanDerWaalsContact C-N 3.25Å; I227-A229 PolarHBondContact O-N 3.09Å; A229-L233 WeakPolarHBondContact O-CB 3.44Å; A229-L233 PolarHBondContact O-N 2.81Å
230	Y	96.5	Very high	93.1	Very high	29 Å²	29	51.1 Å²	51.1	11%	0.114	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-41.2	172	-76.9	-69.1	0	0	0	113	V220 P224 F226 I227 L233 A234 A249 N252 I256	V220-Y230 HydrophobicContact CB-CD1 4.33Å; V220-Y230 HydrophobicContact CB-CE1 3.84Å; V220-Y230 HydrophobicContact CB-CE2 4.12Å; V220-Y230 HydrophobicContact CG1-CD1 3.76Å; V220-Y230 HydrophobicContact CG1-CD2 3.93Å; V220-Y230 HydrophobicContact CG1-CE1 3.79Å; V220-Y230 HydrophobicContact CG1-CE2 3.97Å; V220-Y230 HydrophobicContact CG1-CG 3.83Å; V220-Y230 HydrophobicContact CG2-CE1 4.12Å; P224-Y230 WeakPolarHBondContact O-CE2 3.25Å; F226-Y230 WeakPolarHBondContact O-CD2 3.25Å; F226-Y230 PolarHBondContact O-N 2.85Å; I227-Y230 WeakPolarHBondContact O-CB 3.41Å; I227-Y230 PolarHBondContact O-N 2.64Å; Y230-L233 PolarHBondContact O-N 2.71Å; Y230-A234 WeakPolarHBondContact O-CB 3.28Å; Y230-A234 PolarHBondContact O-N 3.42Å; Y230-A249 HydrophobicContact CD1-CB 4.35Å; Y230-N252 HydrophobicContact CD1-CB 3.74Å; Y230-N252 HydrophobicContact CD2-CB 4.33Å; Y230-N252 HydrophobicContact CE1-CB 3.56Å; Y230-N252 WeakPolarHBondContact CE1-ND2 3.36Å; Y230-N252 HydrophobicContact CE2-CB 4.16Å; Y230-N252 HydrophobicContact CG-CB 4.12Å; Y230-I256 HydrophobicContact CD2-CD1 3.87Å; Y230-I256 HydrophobicContact CE2-CD1 3.77Å
231	I	94.5	Very high	92.8	Very high	44 Å²	44	53 Å²	53	23%	0.226	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-45.5	177.9	-64.2	169.3	0	0	0	110.2	I227 D228 A234 A235 A253 V263	I227-I231 HydrophobicContact CG2-CD1 3.67Å; I227-I231 HydrophobicContact CG2-CG1 4.34Å; I227-I231 PolarHBondContact O-N 3.17Å; D228-I231 PolarHBondContact O-N 3.31Å; I231-A234 PolarHBondContact O-N 2.87Å; I231-A235 PolarHBondContact O-N 3.02Å; I231-A253 HydrophobicContact CG1-CB 4.19Å; I231-V263 HydrophobicContact CD1-CG2 3.66Å; I231-V263 HydrophobicContact CG1-CG1 4.28Å; I231-V263 HydrophobicContact CG1-CG2 4.07Å
232	N	93.5	Very high	92.7	Very high	41 Å²	41	47.7 Å²	47.7	22%	0.219	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-38.8	177.4	-75.2	-47.1	0	0	0	112.7	Y216 D228 A235 A236	Y216-N232 HydrophobicContact CD1-CB 4.04Å; Y216-N232 HydrophobicContact CE1-CB 3.55Å; Y216-N232 HydrophobicContact CE2-CB 4.29Å; D228-N232 WeakPolarHBondContact O-CB 3.28Å; D228-N232 PolarHBondContact O-N 2.82Å; D228-N232 PolarHBondContact O-ND2 2.87Å; N232-A235 PolarHBondContact O-N 2.74Å; N232-A236 WeakPolarHBondContact O-CB 3.37Å; N232-A236 PolarHBondContact O-N 2.55Å
233	L	95.9	Very high	92.7	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-49.6	171.6	177.5	57.1	0	0	0	111.2	L213 K217 V220 A229 Y230 A235 A236 L237 A249	L213-L233 HydrophobicContact CD2-CD1 3.84Å; K217-L233 HydrophobicContact CG-CD1 3.9Å; K217-L233 HydrophobicContact CG-CD2 4.28Å; V220-L233 HydrophobicContact CG2-CD2 4.24Å; A229-L233 WeakPolarHBondContact O-CB 3.44Å; A229-L233 PolarHBondContact O-N 2.81Å; Y230-L233 PolarHBondContact O-N 2.71Å; L233-A235 PolarHBondContact O-N 3.49Å; L233-A236 PolarHBondContact O-N 2.9Å; L233-L237 HydrophobicContact CD1-CD1 3.71Å; L233-L237 HydrophobicContact CD1-CG 3.98Å; L233-L237 HydrophobicContact CG-CD1 3.68Å; L233-L237 HydrophobicContact CG-CG 4.39Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 WeakPolarHBondContact O-CD1 3.47Å; L233-L237 VanDerWaalsContact O-CG 3.23Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 2.94Å; L233-A249 HydrophobicContact CB-CB 4.5Å; L233-A249 HydrophobicContact CD2-CB 4.23Å; L233-A249 HydrophobicContact CG-CB 4.16Å
234	A	94.6	Very high	92.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-48.1	178.9	0	0	0	0	0	111.4	Y230 I231 A236 L237 V238 A249 Y250	Y230-A234 WeakPolarHBondContact O-CB 3.28Å; Y230-A234 PolarHBondContact O-N 3.42Å; I231-A234 PolarHBondContact O-N 2.87Å; A234-A236 VanDerWaalsContact C-N 3.32Å; A234-A236 PolarHBondContact O-N 3.49Å; A234-L237 PolarHBondContact O-N 3.4Å; A234-V238 WeakPolarHBondContact O-CG2 3.45Å; A234-V238 PolarHBondContact O-N 3.45Å; A234-A249 HydrophobicContact CB-CB 3.78Å; A234-Y250 HydrophobicContact CB-CD1 3.62Å; A234-Y250 HydrophobicContact CB-CD2 3.77Å; A234-Y250 HydrophobicContact CB-CE1 3.58Å; A234-Y250 HydrophobicContact CB-CE2 3.7Å; A234-Y250 HydrophobicContact CB-CG 3.73Å
235	A	91.8	Very high	92.7	Very high	27 Å²	27	48 Å²	48	22%	0.223	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-37.7	177.7	0	0	0	0	0	113.1	I231 N232 L233 S239	I231-A235 PolarHBondContact O-N 3.02Å; N232-A235 PolarHBondContact O-N 2.74Å; L233-A235 PolarHBondContact O-N 3.49Å; A235-S239 PolarHBondContact O-N 3.43Å; A235-S239 VanDerWaalsContact O-N 3.17Å; A235-S239 PolarHBondContact O-OG 3Å
236	A	92.5	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-39.7	174.5	0	0	0	0	0	112.3	L209 L213 Y216 N232 L233 A234 S239 G240	L209-A236 HydrophobicContact CD1-CB 3.97Å; L213-A236 HydrophobicContact CD2-CB 3.68Å; L213-A236 HydrophobicContact CG-CB 4.39Å; Y216-A236 HydrophobicContact CD2-CB 4.14Å; Y216-A236 HydrophobicContact CE2-CB 3.91Å; N232-A236 WeakPolarHBondContact O-CB 3.37Å; N232-A236 PolarHBondContact O-N 2.55Å; L233-A236 PolarHBondContact O-N 2.9Å; A234-A236 VanDerWaalsContact C-N 3.32Å; A234-A236 PolarHBondContact O-N 3.49Å; A236-S239 CarbonylContact O-C 3.36Å; A236-S239 WeakPolarHBondContact O-CB 3.35Å; A236-S239 PolarHBondContact O-N 3.3Å; A236-G240 PolarHBondContact O-N 2.79Å
237	L	94.8	Very high	93	Very high	2 Å²	2	40 Å²	40	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-40.1	176.6	-71.8	164.4	0	0	0	112	L213 L233 A234 S239 G240 G241 D242 Q245 A246 A249	L213-L237 HydrophobicContact CD1-CD2 4.24Å; L213-L237 HydrophobicContact CD2-CB 4.47Å; L213-L237 HydrophobicContact CD2-CD2 3.56Å; L213-L237 HydrophobicContact CD2-CG 3.59Å; L233-L237 HydrophobicContact CD1-CD1 3.71Å; L233-L237 HydrophobicContact CD1-CG 3.98Å; L233-L237 HydrophobicContact CG-CD1 3.68Å; L233-L237 HydrophobicContact CG-CG 4.39Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 WeakPolarHBondContact O-CD1 3.47Å; L233-L237 VanDerWaalsContact O-CG 3.23Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 2.94Å; A234-L237 PolarHBondContact O-N 3.4Å; L237-S239 VanDerWaalsContact C-N 3.34Å; L237-S239 PolarHBondContact O-N 3.2Å; L237-G240 CarbonylContact O-C 3.59Å; L237-G240 PolarHBondContact O-N 3.5Å; L237-G240 VanDerWaalsContact O-N 3.08Å; L237-G241 PolarHBondContact O-N 3.24Å; L237-D242 HydrophobicContact CD2-CB 3.98Å; L237-D242 PolarHBondContact O-N 2.56Å; L237-Q245 HydrophobicContact CD1-CB 3.69Å; L237-Q245 HydrophobicContact CD2-CB 4Å; L237-Q245 HydrophobicContact CG-CB 4.4Å; L237-A246 HydrophobicContact CB-CB 3.75Å; L237-A249 HydrophobicContact CD1-CB 4.38Å
238	V	92.1	Very high	93.1	Very high	58 Å²	58	41.7 Å²	41.7	35%	0.352	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-44.7	170.7	174.5	0	0	0	0	110.9	A234 G240 G241 A246 L270	A234-V238 WeakPolarHBondContact O-CG2 3.45Å; A234-V238 PolarHBondContact O-N 3.45Å; V238-G240 PolarHBondContact O-N 3.36Å; V238-G241 PolarHBondContact O-N 3.1Å; V238-A246 HydrophobicContact CG2-CB 3.63Å; V238-L270 HydrophobicContact CG2-CD1 3.98Å; V238-L270 HydrophobicContact CG2-CD2 4.01Å
239	S	88.3	Confident	93.3	Very high	89 Å²	89	37.3 Å²	37.3	62%	0.622	23%	0.231	S	C	*	.	H	α-helix	trans	-64.6	-21.7	176.2	-59.6	0	0	0	0	113.5	A235 A236 L237	A235-S239 PolarHBondContact O-N 3.43Å; A235-S239 VanDerWaalsContact O-N 3.17Å; A235-S239 PolarHBondContact O-OG 3Å; A236-S239 CarbonylContact O-C 3.36Å; A236-S239 WeakPolarHBondContact O-CB 3.35Å; A236-S239 PolarHBondContact O-N 3.3Å; L237-S239 VanDerWaalsContact C-N 3.34Å; L237-S239 PolarHBondContact O-N 3.2Å
240	G	87.1	Confident	93.4	Very high	45 Å²	45	38.2 Å²	38.2	46%	0.464	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.6	177.1	0	0	0	0	0	115	A236 L237 V238 D242	A236-G240 PolarHBondContact O-N 2.79Å; L237-G240 CarbonylContact O-C 3.59Å; L237-G240 PolarHBondContact O-N 3.5Å; L237-G240 VanDerWaalsContact O-N 3.08Å; V238-G240 PolarHBondContact O-N 3.36Å; G240-D242 VanDerWaalsContact C-N 3.33Å; G240-D242 PolarHBondContact O-N 3.34Å
241	G	89.6	Confident	93.3	Very high	54 Å²	54	40.8 Å²	40.8	56%	0.557	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	4.8	-177.5	0	0	0	0	0	115.8	L237 V238 L243	L237-G241 PolarHBondContact O-N 3.24Å; V238-G241 PolarHBondContact O-N 3.1Å; G241-L243 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.19Å; G241-L243 VanDerWaalsContact O-N 3.09Å
242	D	92.6	Very high	93.3	Very high	61 Å²	61	40.9 Å²	40.9	33%	0.326	25%	0.247	S	C	.	.			trans	-88	72.8	177.2	-166	-25.6	0	0	0	110.4	L237 G240 E244 Q245 A246	L237-D242 HydrophobicContact CD2-CB 3.98Å; L237-D242 PolarHBondContact O-N 2.56Å; G240-D242 VanDerWaalsContact C-N 3.33Å; G240-D242 PolarHBondContact O-N 3.34Å; D242-E244 PolarHBondContact O-N 3.09Å; D242-Q245 PolarHBondContact O-N 3.33Å; D242-Q245 WeakPolarHBondContact OD1-CB 3.35Å; D242-Q245 WeakPolarHBondContact OD1-CG 3.39Å; D242-Q245 PolarHBondContact OD1-N 2.92Å; D242-Q245 PolarHBondContact OD2-NE2 3.31Å; D242-A246 PolarHBondContact O-N 2.93Å; D242-A246 VanDerWaalsContact O-N 3.07Å
243	L	93	Very high	93.3	Very high	60 Å²	60	38.9 Å²	38.9	31%	0.314	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-33.8	-168.4	-50.6	-174.8	0	0	0	113	G241 A246 V247 L270 M274	G241-L243 VanDerWaalsContact C-N 3.32Å; G241-L243 PolarHBondContact O-N 3.19Å; G241-L243 VanDerWaalsContact O-N 3.09Å; L243-A246 WeakPolarHBondContact O-CB 3.43Å; L243-A246 PolarHBondContact O-N 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.4Å; L243-V247 PolarHBondContact O-N 3.29Å; L243-L270 HydrophobicContact CB-CD1 4.12Å; L243-L270 HydrophobicContact CD2-CD1 3.9Å; L243-L270 HydrophobicContact CG-CD1 4.39Å; L243-M274 HydrophobicContact CB-CE 3.92Å; L243-M274 HydrophobicContact CB-CG 4.11Å; L243-M274 HydrophobicContact CB-SD 3.75Å; L243-M274 HydrophobicContact CD1-CG 3.74Å; L243-M274 HydrophobicContact CD1-SD 4.48Å
244	E	94	Very high	93.2	Very high	99 Å²	99	38.8 Å²	38.8	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-73.8	-37.7	179.5	-71.4	-66.3	165.1	0	0	112.5	D242 A246 V247 T248 M274 R276	D242-E244 PolarHBondContact O-N 3.09Å; E244-A246 VanDerWaalsContact C-N 3.29Å; E244-A246 PolarHBondContact O-N 3.46Å; E244-V247 PolarHBondContact O-N 3.41Å; E244-T248 PolarHBondContact O-N 2.85Å; E244-T248 PolarHBondContact O-OG1 2.86Å; E244-M274 VanDerWaalsContact CD-CE 3.46Å; E244-M274 HydrophobicContact CG-CE 3.99Å; E244-M274 WeakPolarHBondContact OE1-CE 3.35Å; E244-R276 IonicContact OE1-CZ 2.67Å; E244-R276 IonicContact OE1-NH1 2.65Å; E244-R276 PolarHBondContact OE1-NH1 3.07Å; E244-R276 IonicContact OE2-NH1 3.61Å; E244-R276 PolarHBondContact OE2-NH1 2.85Å
245	Q	93.7	Very high	93.2	Very high	78 Å²	78	45.7 Å²	45.7	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-33.3	169.4	-71.7	-178.7	50.3	0	0	111.2	L237 D242 T248 A249	L237-Q245 HydrophobicContact CD1-CB 3.69Å; L237-Q245 HydrophobicContact CD2-CB 4Å; L237-Q245 HydrophobicContact CG-CB 4.4Å; D242-Q245 PolarHBondContact O-N 3.33Å; D242-Q245 WeakPolarHBondContact OD1-CB 3.35Å; D242-Q245 WeakPolarHBondContact OD1-CG 3.39Å; D242-Q245 PolarHBondContact OD1-N 2.92Å; D242-Q245 PolarHBondContact OD2-NE2 3.31Å; Q245-T248 WeakPolarHBondContact O-CB 3.28Å; Q245-T248 PolarHBondContact O-N 3.26Å; Q245-A249 WeakPolarHBondContact O-CB 3.31Å; Q245-A249 PolarHBondContact O-N 3.1Å
246	A	95.2	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-45	174.6	0	0	0	0	0	112.3	L237 V238 D242 L243 E244 T248 A249 Y250 L270	L237-A246 HydrophobicContact CB-CB 3.75Å; V238-A246 HydrophobicContact CG2-CB 3.63Å; D242-A246 PolarHBondContact O-N 2.93Å; D242-A246 VanDerWaalsContact O-N 3.07Å; L243-A246 WeakPolarHBondContact O-CB 3.43Å; L243-A246 PolarHBondContact O-N 3.31Å; E244-A246 VanDerWaalsContact C-N 3.29Å; E244-A246 PolarHBondContact O-N 3.46Å; A246-T248 VanDerWaalsContact C-N 3.28Å; A246-T248 PolarHBondContact O-N 2.88Å; A246-A249 PolarHBondContact O-N 3.04Å; A246-Y250 VanDerWaalsContact O-CD2 3.32Å; A246-Y250 WeakPolarHBondContact O-CD2 3.49Å; A246-Y250 PolarHBondContact O-N 2.66Å; A246-L270 HydrophobicContact CB-CD2 3.7Å
247	V	95.6	Very high	93.3	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-54.6	-46.1	171.1	165.2	0	0	0	0	110.5	L243 E244 Y250 F251 L267 L270 L271 M274	L243-V247 WeakPolarHBondContact O-CG2 3.4Å; L243-V247 PolarHBondContact O-N 3.29Å; E244-V247 PolarHBondContact O-N 3.41Å; V247-Y250 PolarHBondContact O-N 3.13Å; V247-F251 HydrophobicContact CG1-CD2 4Å; V247-F251 HydrophobicContact CG1-CE2 4.35Å; V247-F251 WeakPolarHBondContact O-CB 3.26Å; V247-F251 PolarHBondContact O-N 3.49Å; V247-L267 HydrophobicContact CB-CD1 4.23Å; V247-L267 HydrophobicContact CG1-CD1 4.07Å; V247-L267 HydrophobicContact CG2-CD1 4.03Å; V247-L270 HydrophobicContact CG2-CD2 3.68Å; V247-L270 HydrophobicContact CG2-CG 4.06Å; V247-L271 HydrophobicContact CG1-CD2 4.45Å; V247-L271 HydrophobicContact CG2-CD2 3.97Å; V247-L271 HydrophobicContact CG2-CG 4.42Å; V247-M274 HydrophobicContact CG2-CE 4.22Å; V247-M274 HydrophobicContact CG2-SD 3.76Å
248	T	95.3	Very high	93.1	Very high	75 Å²	75	52.8 Å²	52.8	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-43.9	179.1	-55	0	0	0	0	112	E244 Q245 A246 F251 N252	E244-T248 PolarHBondContact O-N 2.85Å; E244-T248 PolarHBondContact O-OG1 2.86Å; Q245-T248 WeakPolarHBondContact O-CB 3.28Å; Q245-T248 PolarHBondContact O-N 3.26Å; A246-T248 VanDerWaalsContact C-N 3.28Å; A246-T248 PolarHBondContact O-N 2.88Å; T248-F251 PolarHBondContact O-N 2.96Å; T248-N252 PolarHBondContact O-N 3.34Å; T248-N252 PolarHBondContact O-ND2 2.99Å
249	A	94.7	Very high	93.1	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-43.1	178.3	0	0	0	0	0	112.1	Y230 L233 A234 L237 Q245 A246 N252 A253	Y230-A249 HydrophobicContact CD1-CB 4.35Å; L233-A249 HydrophobicContact CB-CB 4.5Å; L233-A249 HydrophobicContact CD2-CB 4.23Å; L233-A249 HydrophobicContact CG-CB 4.16Å; A234-A249 HydrophobicContact CB-CB 3.78Å; L237-A249 HydrophobicContact CD1-CB 4.38Å; Q245-A249 WeakPolarHBondContact O-CB 3.31Å; Q245-A249 PolarHBondContact O-N 3.1Å; A246-A249 PolarHBondContact O-N 3.04Å; A249-N252 PolarHBondContact O-N 3.14Å; A249-A253 PolarHBondContact O-N 3.35Å; A249-A253 VanDerWaalsContact O-N 3.11Å
250	Y	96	Very high	93.3	Very high	20 Å²	20	53 Å²	53	8%	0.078	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-40.5	172.7	-76.3	-51	0	0	0	112.8	A234 A246 V247 N252 A253 L254 V263 D266 L267 L270	A234-Y250 HydrophobicContact CB-CD1 3.62Å; A234-Y250 HydrophobicContact CB-CD2 3.77Å; A234-Y250 HydrophobicContact CB-CE1 3.58Å; A234-Y250 HydrophobicContact CB-CE2 3.7Å; A234-Y250 HydrophobicContact CB-CG 3.73Å; A246-Y250 VanDerWaalsContact O-CD2 3.32Å; A246-Y250 WeakPolarHBondContact O-CD2 3.49Å; A246-Y250 PolarHBondContact O-N 2.66Å; V247-Y250 PolarHBondContact O-N 3.13Å; Y250-N252 VanDerWaalsContact C-N 3.35Å; Y250-N252 PolarHBondContact O-N 3.37Å; Y250-A253 PolarHBondContact O-N 2.73Å; Y250-L254 WeakPolarHBondContact O-CG 3.31Å; Y250-L254 PolarHBondContact O-N 3.08Å; Y250-V263 HydrophobicContact CD1-CG1 3.54Å; Y250-V263 HydrophobicContact CE1-CG1 4.05Å; Y250-D266 HydrophobicContact CE1-CB 4.36Å; Y250-L267 HydrophobicContact CD2-CB 4.35Å; Y250-L267 HydrophobicContact CD2-CD1 4.38Å; Y250-L267 HydrophobicContact CG-CB 4.31Å; Y250-L270 HydrophobicContact CD2-CD2 3.99Å; Y250-L270 HydrophobicContact CE2-CD2 4.01Å
251	F	94.3	Very high	93.6	Very high	82 Å²	82	54.5 Å²	54.5	36%	0.36	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-43	175.4	-107.7	-80.3	0	0	0	112.2	V247 T248 L254 Q255 L267	V247-F251 HydrophobicContact CG1-CD2 4Å; V247-F251 HydrophobicContact CG1-CE2 4.35Å; V247-F251 WeakPolarHBondContact O-CB 3.26Å; V247-F251 PolarHBondContact O-N 3.49Å; T248-F251 PolarHBondContact O-N 2.96Å; F251-L254 CarbonylContact O-C 3.07Å; F251-L254 PolarHBondContact O-N 2.94Å; F251-Q255 WeakPolarHBondContact O-CG 3.23Å; F251-Q255 PolarHBondContact O-N 3.26Å; F251-L267 HydrophobicContact CD2-CD1 4.5Å; F251-L267 HydrophobicContact CD2-CD2 3.87Å; F251-L267 HydrophobicContact CE2-CD2 3.93Å
252	N	94.6	Very high	93.8	Very high	46 Å²	46	54.6 Å²	54.6	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-42.6	177.2	-68.5	-23.1	0	0	0	111.9	Y230 T248 A249 Y250 L254 Q255 I256	Y230-N252 HydrophobicContact CD1-CB 3.74Å; Y230-N252 HydrophobicContact CD2-CB 4.33Å; Y230-N252 HydrophobicContact CE1-CB 3.56Å; Y230-N252 WeakPolarHBondContact CE1-ND2 3.36Å; Y230-N252 HydrophobicContact CE2-CB 4.16Å; Y230-N252 HydrophobicContact CG-CB 4.12Å; T248-N252 PolarHBondContact O-N 3.34Å; T248-N252 PolarHBondContact O-ND2 2.99Å; A249-N252 PolarHBondContact O-N 3.14Å; Y250-N252 VanDerWaalsContact C-N 3.35Å; Y250-N252 PolarHBondContact O-N 3.37Å; N252-L254 VanDerWaalsContact C-N 3.3Å; N252-L254 PolarHBondContact O-N 3.39Å; N252-Q255 PolarHBondContact O-N 3.39Å; N252-I256 WeakPolarHBondContact O-CD1 3.36Å; N252-I256 WeakPolarHBondContact O-CG1 3.4Å; N252-I256 PolarHBondContact O-N 3.48Å
253	A	94.3	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-43	173.6	0	0	0	0	0	112.2	I231 A249 Y250 I256 N257 V263	I231-A253 HydrophobicContact CG1-CB 4.19Å; A249-A253 PolarHBondContact O-N 3.35Å; A249-A253 VanDerWaalsContact O-N 3.11Å; Y250-A253 PolarHBondContact O-N 2.73Å; A253-I256 PolarHBondContact O-N 3.49Å; A253-N257 PolarHBondContact O-N 2.76Å; A253-V263 HydrophobicContact CB-CG1 4.47Å
254	L	93.9	Very high	94	Very high	9 Å²	9	51 Å²	51	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-76	-17.4	179.4	-68.5	167.2	0	0	0	114.4	Y250 F251 N252 N257 P258 L260 V263 R264 L267	Y250-L254 WeakPolarHBondContact O-CG 3.31Å; Y250-L254 PolarHBondContact O-N 3.08Å; F251-L254 CarbonylContact O-C 3.07Å; F251-L254 PolarHBondContact O-N 2.94Å; N252-L254 VanDerWaalsContact C-N 3.3Å; N252-L254 PolarHBondContact O-N 3.39Å; L254-N257 CarbonylContact O-C 3.58Å; L254-P258 WeakPolarHBondContact O-CA 3.5Å; L254-L260 HydrophobicContact CD2-CB 4.08Å; L254-V263 HydrophobicContact CD2-CB 4.38Å; L254-V263 HydrophobicContact CD2-CG1 4.44Å; L254-V263 HydrophobicContact CG-CG1 4.33Å; L254-R264 HydrophobicContact CD1-CB 4.18Å; L254-R264 HydrophobicContact CD1-CG 4.12Å; L254-R264 HydrophobicContact CD2-CB 3.93Å; L254-R264 HydrophobicContact CD2-CG 4.42Å; L254-L267 HydrophobicContact CD1-CD2 3.7Å
255	Q	94	Very high	94	Very high	144 Å²	144	46.3 Å²	46.3	67%	0.673	24%	0.239	S	C	*	.	H	α-helix	trans	-75.8	-35.9	169	-78.2	-177.1	-1	0	0	111.6	F251 N252	F251-Q255 WeakPolarHBondContact O-CG 3.23Å; F251-Q255 PolarHBondContact O-N 3.26Å; N252-Q255 PolarHBondContact O-N 3.39Å
256	I	93.4	Very high	94	Very high	60 Å²	60	45.9 Å²	45.9	31%	0.308	24%	0.239	S	C	.	.	H	α-helix	trans	-75	-43.2	178.1	-55.8	153.7	0	0	0	110.4	E225 I227 Y230 N252 A253	E225-I256 HydrophobicContact CB-CG2 4.37Å; I227-I256 HydrophobicContact CD1-CB 4.39Å; I227-I256 HydrophobicContact CD1-CG2 3.85Å; I227-I256 HydrophobicContact CG1-CB 3.92Å; I227-I256 HydrophobicContact CG1-CD1 4.24Å; I227-I256 HydrophobicContact CG1-CG2 3.7Å; Y230-I256 HydrophobicContact CD2-CD1 3.87Å; Y230-I256 HydrophobicContact CE2-CD1 3.77Å; N252-I256 WeakPolarHBondContact O-CD1 3.36Å; N252-I256 WeakPolarHBondContact O-CG1 3.4Å; N252-I256 PolarHBondContact O-N 3.48Å; A253-I256 PolarHBondContact O-N 3.49Å
257	N	92.4	Very high	94.1	Very high	49 Å²	49	45.9 Å²	45.9	26%	0.262	24%	0.239	S	C	.	.			trans	-135.9	100.6	174	-176.5	-4	0	0	0	111.3	I227 A253 L254 D259 L260	I227-N257 HydrophobicContact CD1-CB 3.75Å; A253-N257 PolarHBondContact O-N 2.76Å; L254-N257 CarbonylContact O-C 3.58Å; N257-D259 PolarHBondContact O-N 2.64Å; N257-D259 WeakPolarHBondContact OD1-CB 3.49Å; N257-D259 PolarHBondContact OD1-N 2.88Å; N257-L260 HydrophobicContact CB-CD1 3.89Å; N257-L260 HydrophobicContact CB-CG 3.95Å; N257-L260 WeakPolarHBondContact O-CG 3.37Å
258	P	91.6	Very high	94	Very high	70 Å²	70	45.6 Å²	45.6	46%	0.455	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.1	178.5	-25.7	36.2	0	0	0	115.3	L254 L260	L254-P258 WeakPolarHBondContact O-CA 3.5Å; P258-L260 PolarHBondContact O-N 2.77Å
259	D	91.8	Very high	93.9	Very high	109 Å²	109	44.7 Å²	44.7	58%	0.583	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	2.9	-171.3	-59.8	-32	0	0	0	113.6	N257 Y261 T290	N257-D259 PolarHBondContact O-N 2.64Å; N257-D259 WeakPolarHBondContact OD1-CB 3.49Å; N257-D259 PolarHBondContact OD1-N 2.88Å; D259-Y261 PolarHBondContact O-N 2.81Å; D259-T290 HydrophobicContact CB-CG2 4.19Å; D259-T290 WeakPolarHBondContact O-CG2 3.44Å
260	L	93.2	Very high	93.9	Very high	42 Å²	42	45.1 Å²	45.1	22%	0.22	23%	0.231	C	C	.	.			trans	-76.4	66.8	178.7	-60.6	174.9	0	0	0	111.9	I227 L254 N257 P258 C262 V263 R264	I227-L260 HydrophobicContact CG2-CD1 3.6Å; L254-L260 HydrophobicContact CD2-CB 4.08Å; N257-L260 HydrophobicContact CB-CD1 3.89Å; N257-L260 HydrophobicContact CB-CG 3.95Å; N257-L260 WeakPolarHBondContact O-CG 3.37Å; P258-L260 PolarHBondContact O-N 2.77Å; L260-C262 VanDerWaalsContact C-N 3.27Å; L260-C262 PolarHBondContact O-N 3.31Å; L260-V263 HydrophobicContact CB-CB 3.94Å; L260-V263 HydrophobicContact CB-CG2 3.88Å; L260-V263 HydrophobicContact CD1-CG2 4.33Å; L260-V263 WeakPolarHBondContact O-CB 3.07Å; L260-V263 PolarHBondContact O-N 3.41Å; L260-R264 PolarHBondContact O-N 3.37Å
261	Y	93.6	Very high	93.9	Very high	76 Å²	76	44.2 Å²	44.2	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-56	-34.8	-175	67.6	-90.1	0	0	0	114.1	D259 R264 S265 T290 Q291 F294	D259-Y261 PolarHBondContact O-N 2.81Å; Y261-R264 PolarHBondContact O-N 2.89Å; Y261-S265 PolarHBondContact O-N 3.44Å; Y261-T290 HydrophobicContact CD1-CG2 4.31Å; Y261-Q291 HydrophobicContact CD1-CB 3.8Å; Y261-Q291 HydrophobicContact CD1-CG 4.42Å; Y261-Q291 HydrophobicContact CD2-CB 3.82Å; Y261-Q291 HydrophobicContact CD2-CG 4.22Å; Y261-Q291 HydrophobicContact CE1-CB 4.05Å; Y261-Q291 HydrophobicContact CE1-CG 4.17Å; Y261-Q291 HydrophobicContact CE2-CB 4.07Å; Y261-Q291 HydrophobicContact CE2-CG 3.95Å; Y261-Q291 HydrophobicContact CG-CB 3.69Å; Y261-Q291 HydrophobicContact CG-CG 4.45Å; Y261-F294 HydrophobicContact CD2-CB 4.29Å; Y261-F294 AromaticContact CD2-CD1 3.71Å; Y261-F294 HydrophobicContact CD2-CD1 3.71Å; Y261-F294 HydrophobicContact CD2-CD2 4.42Å; Y261-F294 HydrophobicContact CD2-CE1 4.07Å; Y261-F294 AromaticContact CD2-CG 3.91Å; Y261-F294 HydrophobicContact CD2-CG 3.91Å; Y261-F294 HydrophobicContact CE2-CB 4.33Å; Y261-F294 HydrophobicContact CE2-CD1 4.16Å; Y261-F294 HydrophobicContact CE2-CD2 4.04Å; Y261-F294 HydrophobicContact CE2-CE1 4.47Å; Y261-F294 HydrophobicContact CE2-CE2 4.38Å; Y261-F294 AromaticContact CE2-CG 3.94Å; Y261-F294 HydrophobicContact CE2-CG 3.94Å
262	C	92.5	Very high	93.8	Very high	57 Å²	57	43.4 Å²	43.4	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-53.1	173.2	-61.4	0	0	0	0	111.4	L260 R264 S265 D266	L260-C262 VanDerWaalsContact C-N 3.27Å; L260-C262 PolarHBondContact O-N 3.31Å; C262-R264 PolarHBondContact O-N 3.4Å; C262-S265 CarbonylContact O-C 3.58Å; C262-S265 WeakPolarHBondContact O-CA 3.44Å; C262-S265 WeakPolarHBondContact O-CB 3.41Å; C262-S265 PolarHBondContact O-N 2.99Å; C262-D266 PolarHBondContact O-N 3.21Å
263	V	94.1	Very high	93.6	Very high	13 Å²	13	45.2 Å²	45.2	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-35.9	177.9	-176.1	0	0	0	0	110.9	I231 Y250 A253 L254 L260 D266 L267	I231-V263 HydrophobicContact CD1-CG2 3.66Å; I231-V263 HydrophobicContact CG1-CG1 4.28Å; I231-V263 HydrophobicContact CG1-CG2 4.07Å; Y250-V263 HydrophobicContact CD1-CG1 3.54Å; Y250-V263 HydrophobicContact CE1-CG1 4.05Å; A253-V263 HydrophobicContact CB-CG1 4.47Å; L254-V263 HydrophobicContact CD2-CB 4.38Å; L254-V263 HydrophobicContact CD2-CG1 4.44Å; L254-V263 HydrophobicContact CG-CG1 4.33Å; L260-V263 HydrophobicContact CB-CB 3.94Å; L260-V263 HydrophobicContact CB-CG2 3.88Å; L260-V263 HydrophobicContact CD1-CG2 4.33Å; L260-V263 WeakPolarHBondContact O-CB 3.07Å; L260-V263 PolarHBondContact O-N 3.41Å; V263-D266 PolarHBondContact O-N 2.84Å; V263-L267 PolarHBondContact O-N 2.98Å
264	R	95.8	Very high	93.5	Very high	31 Å²	31	47.5 Å²	47.5	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-38.1	175.4	-160.7	170.6	-153.9	97.3	22.4	112.8	L254 L260 Y261 C262 G268 C283 A287	L254-R264 HydrophobicContact CD1-CB 4.18Å; L254-R264 HydrophobicContact CD1-CG 4.12Å; L254-R264 HydrophobicContact CD2-CB 3.93Å; L254-R264 HydrophobicContact CD2-CG 4.42Å; L260-R264 PolarHBondContact O-N 3.37Å; Y261-R264 PolarHBondContact O-N 2.89Å; C262-R264 PolarHBondContact O-N 3.4Å; R264-G268 PolarHBondContact O-N 3.02Å; R264-C283 HydrophobicContact CG-CB 4.33Å; R264-C283 WeakPolarHBondContact O-CB 3.36Å; R264-A287 HydrophobicContact CB-CB 4.32Å
265	S	94.5	Very high	93.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	28%	0.281	C	S	.	.	H	α-helix	trans	-69.4	-35.6	172.5	-174.5	0	0	0	0	112.3	Y261 C262 G268 N269	Y261-S265 PolarHBondContact O-N 3.44Å; C262-S265 CarbonylContact O-C 3.58Å; C262-S265 WeakPolarHBondContact O-CA 3.44Å; C262-S265 WeakPolarHBondContact O-CB 3.41Å; C262-S265 PolarHBondContact O-N 2.99Å; S265-G268 CarbonylContact O-C 3.49Å; S265-G268 WeakPolarHBondContact O-CA 3.26Å; S265-G268 PolarHBondContact O-N 3.11Å; S265-G268 VanDerWaalsContact O-N 3.15Å; S265-N269 VanDerWaalsContact O-CG 3.25Å; S265-N269 PolarHBondContact O-N 3.41Å; S265-N269 PolarHBondContact O-ND2 2.67Å
266	D	93.6	Very high	93.3	Very high	69 Å²	69	46 Å²	46	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-66.8	-40.1	175.8	-67.7	-27	0	0	0	112	Y250 C262 V263 G268 N269 L270	Y250-D266 HydrophobicContact CE1-CB 4.36Å; C262-D266 PolarHBondContact O-N 3.21Å; V263-D266 PolarHBondContact O-N 2.84Å; D266-G268 VanDerWaalsContact C-N 3.31Å; D266-G268 PolarHBondContact O-N 3.42Å; D266-N269 WeakPolarHBondContact O-CB 3.48Å; D266-N269 PolarHBondContact O-N 3.05Å; D266-L270 PolarHBondContact O-N 2.85Å
267	L	96.1	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-42.1	167.8	174.9	58.7	0	0	0	111.5	V247 Y250 F251 L254 V263 N269 L270 L271	V247-L267 HydrophobicContact CB-CD1 4.23Å; V247-L267 HydrophobicContact CG1-CD1 4.07Å; V247-L267 HydrophobicContact CG2-CD1 4.03Å; Y250-L267 HydrophobicContact CD2-CB 4.35Å; Y250-L267 HydrophobicContact CD2-CD1 4.38Å; Y250-L267 HydrophobicContact CG-CB 4.31Å; F251-L267 HydrophobicContact CD2-CD1 4.5Å; F251-L267 HydrophobicContact CD2-CD2 3.87Å; F251-L267 HydrophobicContact CE2-CD2 3.93Å; L254-L267 HydrophobicContact CD1-CD2 3.7Å; V263-L267 PolarHBondContact O-N 2.98Å; L267-N269 PolarHBondContact O-N 3.36Å; L267-L270 PolarHBondContact O-N 3.11Å; L267-L271 HydrophobicContact CD1-CD1 3.85Å; L267-L271 HydrophobicContact CD1-CG 4.05Å; L267-L271 HydrophobicContact CG-CD1 3.85Å; L267-L271 HydrophobicContact CG-CG 4.49Å; L267-L271 WeakPolarHBondContact O-CB 3.31Å; L267-L271 WeakPolarHBondContact O-CD1 3.41Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.47Å; L267-L271 PolarHBondContact O-N 3.32Å
268	G	95.1	Very high	93.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-43	173.5	0	0	0	0	0	113	R264 S265 D266 L271 K272 A280 Y284	R264-G268 PolarHBondContact O-N 3.02Å; S265-G268 CarbonylContact O-C 3.49Å; S265-G268 WeakPolarHBondContact O-CA 3.26Å; S265-G268 PolarHBondContact O-N 3.11Å; S265-G268 VanDerWaalsContact O-N 3.15Å; D266-G268 VanDerWaalsContact C-N 3.31Å; D266-G268 PolarHBondContact O-N 3.42Å; G268-L271 PolarHBondContact O-N 2.68Å; G268-K272 WeakPolarHBondContact O-CB 3.39Å; G268-K272 PolarHBondContact O-N 3.35Å; G268-A280 VanDerWaalsContact O-CB 3.32Å; G268-A280 WeakPolarHBondContact O-CB 3.47Å; G268-Y284 VanDerWaalsContact C-CZ 3.42Å; G268-Y284 PolarHBondContact O-OH 3.03Å
269	N	93.2	Very high	93.4	Very high	57 Å²	57	48 Å²	48	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-46	177.4	-69.6	-32.2	0	0	0	111	S265 D266 L267 K272 A273 Y284 N300	S265-N269 VanDerWaalsContact O-CG 3.25Å; S265-N269 PolarHBondContact O-N 3.41Å; S265-N269 PolarHBondContact O-ND2 2.67Å; D266-N269 WeakPolarHBondContact O-CB 3.48Å; D266-N269 PolarHBondContact O-N 3.05Å; L267-N269 PolarHBondContact O-N 3.36Å; N269-K272 PolarHBondContact O-N 2.98Å; N269-A273 PolarHBondContact O-N 3.19Å; N269-Y284 WeakPolarHBondContact CA-OH 3.49Å; N269-Y284 PolarHBondContact N-OH 3.19Å; N269-Y284 VanDerWaalsContact N-OH 3.16Å; N269-Y284 PolarHBondContact OD1-OH 3.3Å; N269-N300 PolarHBondContact OD1-ND2 3.48Å
270	L	94.6	Very high	93.5	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-49.4	176.5	178	59.1	0	0	0	111.7	V238 L243 A246 V247 Y250 D266 L267 K272 A273 M274	V238-L270 HydrophobicContact CG2-CD1 3.98Å; V238-L270 HydrophobicContact CG2-CD2 4.01Å; L243-L270 HydrophobicContact CB-CD1 4.12Å; L243-L270 HydrophobicContact CD2-CD1 3.9Å; L243-L270 HydrophobicContact CG-CD1 4.39Å; A246-L270 HydrophobicContact CB-CD2 3.7Å; V247-L270 HydrophobicContact CG2-CD2 3.68Å; V247-L270 HydrophobicContact CG2-CG 4.06Å; Y250-L270 HydrophobicContact CD2-CD2 3.99Å; Y250-L270 HydrophobicContact CE2-CD2 4.01Å; D266-L270 PolarHBondContact O-N 2.85Å; L267-L270 PolarHBondContact O-N 3.11Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 2.86Å; L270-A273 WeakPolarHBondContact O-CB 3.4Å; L270-A273 PolarHBondContact O-N 2.84Å; L270-A273 VanDerWaalsContact O-N 3.14Å; L270-M274 HydrophobicContact CD1-CG 4.45Å; L270-M274 HydrophobicContact CD1-SD 4.05Å; L270-M274 HydrophobicContact CG-SD 3.9Å; L270-M274 VanDerWaalsContact O-CG 3.29Å; L270-M274 WeakPolarHBondContact O-CG 3.32Å; L270-M274 PolarHBondContact O-N 2.78Å
271	L	95.2	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-38.8	177.8	-71.5	165.1	0	0	0	112.1	V247 L267 G268 M274 G275 R276 E279 A280	V247-L271 HydrophobicContact CG1-CD2 4.45Å; V247-L271 HydrophobicContact CG2-CD2 3.97Å; V247-L271 HydrophobicContact CG2-CG 4.42Å; L267-L271 HydrophobicContact CD1-CD1 3.85Å; L267-L271 HydrophobicContact CD1-CG 4.05Å; L267-L271 HydrophobicContact CG-CD1 3.85Å; L267-L271 HydrophobicContact CG-CG 4.49Å; L267-L271 WeakPolarHBondContact O-CB 3.31Å; L267-L271 WeakPolarHBondContact O-CD1 3.41Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.47Å; L267-L271 PolarHBondContact O-N 3.32Å; G268-L271 PolarHBondContact O-N 2.68Å; L271-M274 CarbonylContact O-C 3.27Å; L271-M274 PolarHBondContact O-N 3.42Å; L271-G275 PolarHBondContact O-N 2.83Å; L271-R276 HydrophobicContact CB-CB 4.27Å; L271-R276 HydrophobicContact CD2-CB 4.03Å; L271-R276 WeakPolarHBondContact O-CA 3.46Å; L271-R276 PolarHBondContact O-N 3.17Å; L271-E279 HydrophobicContact CD1-CB 3.89Å; L271-E279 HydrophobicContact CD2-CB 4.29Å; L271-A280 HydrophobicContact CB-CB 3.91Å
272	K	92.3	Very high	93.7	Very high	65 Å²	65	42.3 Å²	42.3	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-44.1	173.6	-178.3	-171	171.8	-164.3	0	111.2	G268 N269 L270 M274 G275 L277 A280 V304	G268-K272 WeakPolarHBondContact O-CB 3.39Å; G268-K272 PolarHBondContact O-N 3.35Å; N269-K272 PolarHBondContact O-N 2.98Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 2.86Å; K272-M274 PolarHBondContact O-N 2.93Å; K272-G275 PolarHBondContact O-N 2.73Å; K272-L277 HydrophobicContact CG-CD2 4.22Å; K272-A280 HydrophobicContact CB-CB 4.01Å; K272-V304 HydrophobicContact CD-CG2 4.42Å
273	A	90.1	Very high	93.8	Very high	85 Å²	85	39.8 Å²	39.8	70%	0.702	22%	0.221	S	C	*	.	H	α-helix	trans	-64.5	-28.9	175.9	0	0	0	0	0	112.9	N269 L270 G275	N269-A273 PolarHBondContact O-N 3.19Å; L270-A273 WeakPolarHBondContact O-CB 3.4Å; L270-A273 PolarHBondContact O-N 2.84Å; L270-A273 VanDerWaalsContact O-N 3.14Å; A273-G275 VanDerWaalsContact C-N 3.28Å
274	M	92.8	Very high	93.9	Very high	48 Å²	48	39.2 Å²	39.2	24%	0.236	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.6	172.3	-63.2	165.3	75.3	0	0	113.8	L243 E244 V247 L270 L271 K272 R276	L243-M274 HydrophobicContact CB-CE 3.92Å; L243-M274 HydrophobicContact CB-CG 4.11Å; L243-M274 HydrophobicContact CB-SD 3.75Å; L243-M274 HydrophobicContact CD1-CG 3.74Å; L243-M274 HydrophobicContact CD1-SD 4.48Å; E244-M274 VanDerWaalsContact CD-CE 3.46Å; E244-M274 HydrophobicContact CG-CE 3.99Å; E244-M274 WeakPolarHBondContact OE1-CE 3.35Å; V247-M274 HydrophobicContact CG2-CE 4.22Å; V247-M274 HydrophobicContact CG2-SD 3.76Å; L270-M274 HydrophobicContact CD1-CG 4.45Å; L270-M274 HydrophobicContact CD1-SD 4.05Å; L270-M274 HydrophobicContact CG-SD 3.9Å; L270-M274 VanDerWaalsContact O-CG 3.29Å; L270-M274 WeakPolarHBondContact O-CG 3.32Å; L270-M274 PolarHBondContact O-N 2.78Å; L271-M274 CarbonylContact O-C 3.27Å; L271-M274 PolarHBondContact O-N 3.42Å; K272-M274 PolarHBondContact O-N 2.93Å; M274-R276 HydrophobicContact CB-CG 4.38Å; M274-R276 PolarHBondContact O-N 3.03Å
275	G	90.3	Very high	93.9	Very high	54 Å²	54	41 Å²	41	56%	0.557	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	4.1	-176.4	0	0	0	0	0	115.3	L271 K272 A273 L277	L271-G275 PolarHBondContact O-N 2.83Å; K272-G275 PolarHBondContact O-N 2.73Å; A273-G275 VanDerWaalsContact C-N 3.28Å; G275-L277 PolarHBondContact O-N 3.02Å
276	R	93.8	Very high	93.9	Very high	66 Å²	66	45.2 Å²	45.2	25%	0.249	25%	0.247	C	C	.	.			trans	-81.1	61.1	-179.8	-66.5	168.8	67.1	174.6	-7.3	110.7	E244 L271 M274 E278 E279 A280	E244-R276 IonicContact OE1-CZ 2.67Å; E244-R276 IonicContact OE1-NH1 2.65Å; E244-R276 PolarHBondContact OE1-NH1 3.07Å; E244-R276 IonicContact OE2-NH1 3.61Å; E244-R276 PolarHBondContact OE2-NH1 2.85Å; L271-R276 HydrophobicContact CB-CB 4.27Å; L271-R276 HydrophobicContact CD2-CB 4.03Å; L271-R276 WeakPolarHBondContact O-CA 3.46Å; L271-R276 PolarHBondContact O-N 3.17Å; M274-R276 HydrophobicContact CB-CG 4.38Å; M274-R276 PolarHBondContact O-N 3.03Å; R276-E278 PolarHBondContact O-N 2.59Å; R276-E279 IonicContact CZ-OE1 2.71Å; R276-E279 IonicContact CZ-OE2 3.73Å; R276-E279 IonicContact NE-OE1 2.63Å; R276-E279 PolarHBondContact NE-OE1 3.1Å; R276-E279 IonicContact NE-OE2 3.35Å; R276-E279 VanDerWaalsContact NH2-CD 3.3Å; R276-E279 IonicContact NH2-OE1 2.72Å; R276-E279 PolarHBondContact NH2-OE1 3.45Å; R276-E279 VanDerWaalsContact NH2-OE1 3.08Å; R276-E279 IonicContact NH2-OE2 3.92Å; R276-E279 PolarHBondContact NH2-OE2 2.99Å; R276-E279 PolarHBondContact O-N 2.94Å; R276-A280 PolarHBondContact O-N 2.89Å
277	L	91.6	Very high	93.9	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.225	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-42.9	-167.7	-65.8	-177.6	0	0	0	114.5	K272 G275 E279 A280 K281 V304 Q308	K272-L277 HydrophobicContact CG-CD2 4.22Å; G275-L277 PolarHBondContact O-N 3.02Å; L277-E279 PolarHBondContact O-N 2.77Å; L277-A280 PolarHBondContact O-N 2.82Å; L277-K281 WeakPolarHBondContact O-CB 3.35Å; L277-K281 PolarHBondContact O-N 3.33Å; L277-V304 HydrophobicContact CB-CG1 4.15Å; L277-V304 HydrophobicContact CD2-CG1 4.48Å; L277-Q308 HydrophobicContact CD1-CG 4.32Å
278	E	92.7	Very high	93.9	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-67	-35.4	179	-75.1	-60.8	140.3	0	0	112.6	R276 K281 V282 Q308	R276-E278 PolarHBondContact O-N 2.59Å; E278-K281 WeakPolarHBondContact O-CB 3.45Å; E278-K281 PolarHBondContact O-N 3.21Å; E278-K281 IonicContact OE1-NZ 2.73Å; E278-K281 PolarHBondContact OE1-NZ 2.82Å; E278-K281 WeakPolarHBondContact OE2-CD 3.16Å; E278-K281 IonicContact OE2-NZ 3.75Å; E278-K281 PolarHBondContact OE2-NZ 2.77Å; E278-K281 VanDerWaalsContact OE2-NZ 3.08Å; E278-V282 WeakPolarHBondContact O-CG2 3.37Å; E278-V282 PolarHBondContact O-N 2.99Å; E278-Q308 PolarHBondContact OE1-NE2 3.18Å
279	E	94.1	Very high	93.9	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-73.4	-37.3	176.3	-63.4	178	-95.8	0	0	111.4	L271 R276 L277 V282 C283	L271-E279 HydrophobicContact CD1-CB 3.89Å; L271-E279 HydrophobicContact CD2-CB 4.29Å; R276-E279 IonicContact CZ-OE1 2.71Å; R276-E279 IonicContact CZ-OE2 3.73Å; R276-E279 IonicContact NE-OE1 2.63Å; R276-E279 PolarHBondContact NE-OE1 3.1Å; R276-E279 IonicContact NE-OE2 3.35Å; R276-E279 VanDerWaalsContact NH2-CD 3.3Å; R276-E279 IonicContact NH2-OE1 2.72Å; R276-E279 PolarHBondContact NH2-OE1 3.45Å; R276-E279 VanDerWaalsContact NH2-OE1 3.08Å; R276-E279 IonicContact NH2-OE2 3.92Å; R276-E279 PolarHBondContact NH2-OE2 2.99Å; R276-E279 PolarHBondContact O-N 2.94Å; L277-E279 PolarHBondContact O-N 2.77Å; E279-V282 PolarHBondContact O-N 2.88Å; E279-C283 PolarHBondContact O-N 2.97Å; E279-C283 PolarHBondContact O-SG 2.74Å
280	A	95	Very high	93.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-46.6	171.7	0	0	0	0	0	111.5	G268 L271 K272 R276 L277 V282 C283 Y284 V304	G268-A280 VanDerWaalsContact O-CB 3.32Å; G268-A280 WeakPolarHBondContact O-CB 3.47Å; L271-A280 HydrophobicContact CB-CB 3.91Å; K272-A280 HydrophobicContact CB-CB 4.01Å; R276-A280 PolarHBondContact O-N 2.89Å; L277-A280 PolarHBondContact O-N 2.82Å; A280-V282 PolarHBondContact O-N 3.17Å; A280-C283 WeakPolarHBondContact O-CA 3.22Å; A280-C283 WeakPolarHBondContact O-CB 3.44Å; A280-C283 PolarHBondContact O-N 3.03Å; A280-Y284 HydrophobicContact CB-CE2 3.89Å; A280-Y284 WeakPolarHBondContact O-CD2 3.41Å; A280-Y284 WeakPolarHBondContact O-CE2 3.39Å; A280-Y284 PolarHBondContact O-N 3.23Å; A280-V304 HydrophobicContact CB-CG2 4.49Å
281	K	94.7	Very high	93.9	Very high	39 Å²	39	51.8 Å²	51.8	17%	0.17	28%	0.278	C	S	.	.	H	α-helix	trans	-56	-47.2	174.5	177.1	178.2	171.6	-172.7	0	112.4	L277 E278 C283 Y284 L285 L301 V304	L277-K281 WeakPolarHBondContact O-CB 3.35Å; L277-K281 PolarHBondContact O-N 3.33Å; E278-K281 WeakPolarHBondContact O-CB 3.45Å; E278-K281 PolarHBondContact O-N 3.21Å; E278-K281 IonicContact OE1-NZ 2.73Å; E278-K281 PolarHBondContact OE1-NZ 2.82Å; E278-K281 WeakPolarHBondContact OE2-CD 3.16Å; E278-K281 IonicContact OE2-NZ 3.75Å; E278-K281 PolarHBondContact OE2-NZ 2.77Å; E278-K281 VanDerWaalsContact OE2-NZ 3.08Å; K281-C283 VanDerWaalsContact C-N 3.27Å; K281-C283 PolarHBondContact O-N 3.41Å; K281-Y284 PolarHBondContact O-N 3.35Å; K281-L285 HydrophobicContact CG-CD1 4.12Å; K281-L285 WeakPolarHBondContact O-CB 3.34Å; K281-L285 WeakPolarHBondContact O-CG 3.44Å; K281-L285 PolarHBondContact O-N 3.27Å; K281-L301 HydrophobicContact CB-CD1 4.38Å; K281-L301 HydrophobicContact CG-CD1 3.9Å; K281-V304 HydrophobicContact CB-CG1 4.19Å
282	V	95.1	Very high	93.8	Very high	69 Å²	69	55.4 Å²	55.4	42%	0.418	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-34.5	174.3	171.5	0	0	0	0	112	E278 E279 A280 K286	E278-V282 WeakPolarHBondContact O-CG2 3.37Å; E278-V282 PolarHBondContact O-N 2.99Å; E279-V282 PolarHBondContact O-N 2.88Å; A280-V282 PolarHBondContact O-N 3.17Å; V282-K286 HydrophobicContact CG1-CD 4.26Å; V282-K286 WeakPolarHBondContact O-CB 3.46Å; V282-K286 WeakPolarHBondContact O-CG 3.47Å; V282-K286 PolarHBondContact O-N 2.77Å
283	C	95.4	Very high	93.9	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.034	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-46.5	175.8	-67	0	0	0	0	112.4	R264 E279 A280 K281 K286 A287	R264-C283 HydrophobicContact CG-CB 4.33Å; R264-C283 WeakPolarHBondContact O-CB 3.36Å; E279-C283 PolarHBondContact O-N 2.97Å; E279-C283 PolarHBondContact O-SG 2.74Å; A280-C283 WeakPolarHBondContact O-CA 3.22Å; A280-C283 WeakPolarHBondContact O-CB 3.44Å; A280-C283 PolarHBondContact O-N 3.03Å; K281-C283 VanDerWaalsContact C-N 3.27Å; K281-C283 PolarHBondContact O-N 3.41Å; C283-K286 PolarHBondContact O-N 2.79Å; C283-A287 WeakPolarHBondContact O-CB 3.18Å; C283-A287 PolarHBondContact O-N 3.24Å
284	Y	96.2	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-42.6	177.5	-55.7	-53.2	0	0	0	112.7	G268 N269 A280 K281 K286 A287 I288 N300 L301 V304	G268-Y284 VanDerWaalsContact C-CZ 3.42Å; G268-Y284 PolarHBondContact O-OH 3.03Å; N269-Y284 WeakPolarHBondContact CA-OH 3.49Å; N269-Y284 PolarHBondContact N-OH 3.19Å; N269-Y284 VanDerWaalsContact N-OH 3.16Å; N269-Y284 PolarHBondContact OD1-OH 3.3Å; A280-Y284 HydrophobicContact CB-CE2 3.89Å; A280-Y284 WeakPolarHBondContact O-CD2 3.41Å; A280-Y284 WeakPolarHBondContact O-CE2 3.39Å; A280-Y284 PolarHBondContact O-N 3.23Å; K281-Y284 PolarHBondContact O-N 3.35Å; Y284-K286 VanDerWaalsContact C-N 3.34Å; Y284-K286 PolarHBondContact O-N 3.16Å; Y284-A287 PolarHBondContact O-N 3.16Å; Y284-A287 VanDerWaalsContact O-N 3.17Å; Y284-I288 VanDerWaalsContact O-CG1 3.31Å; Y284-I288 WeakPolarHBondContact O-CG1 3.45Å; Y284-I288 PolarHBondContact O-N 3.47Å; Y284-N300 HydrophobicContact CD1-CB 3.84Å; Y284-N300 HydrophobicContact CD2-CB 4.3Å; Y284-N300 HydrophobicContact CE1-CB 3.47Å; Y284-N300 VanDerWaalsContact CE1-CB 3.47Å; Y284-N300 HydrophobicContact CE2-CB 3.99Å; Y284-N300 HydrophobicContact CG-CB 4.25Å; Y284-L301 HydrophobicContact CD2-CB 4.45Å; Y284-V304 HydrophobicContact CD2-CG2 4.21Å; Y284-V304 HydrophobicContact CE2-CG2 3.73Å
285	L	95.6	Very high	94.2	Very high	70 Å²	70	55.5 Å²	55.5	37%	0.366	29%	0.289	S	S	.	.	H	α-helix	trans	-56.7	-47.7	176.5	-75.9	169.2	0	0	0	111.3	K281 A287 I288 E289 L301	K281-L285 HydrophobicContact CG-CD1 4.12Å; K281-L285 WeakPolarHBondContact O-CB 3.34Å; K281-L285 WeakPolarHBondContact O-CG 3.44Å; K281-L285 PolarHBondContact O-N 3.27Å; L285-A287 PolarHBondContact O-N 3.3Å; L285-I288 WeakPolarHBondContact O-CB 3.29Å; L285-I288 PolarHBondContact O-N 3.4Å; L285-E289 WeakPolarHBondContact O-CG 3.31Å; L285-E289 PolarHBondContact O-N 2.93Å; L285-L301 HydrophobicContact CD2-CD2 3.69Å; L285-L301 HydrophobicContact CG-CD1 4.42Å; L285-L301 HydrophobicContact CG-CD2 4.18Å
286	K	94.3	Very high	94.4	Very high	88 Å²	88	55.7 Å²	55.7	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-33.7	176.9	-73	-179.6	175.6	-174	0	113.3	V282 C283 Y284 I288 E289 T290	V282-K286 HydrophobicContact CG1-CD 4.26Å; V282-K286 WeakPolarHBondContact O-CB 3.46Å; V282-K286 WeakPolarHBondContact O-CG 3.47Å; V282-K286 PolarHBondContact O-N 2.77Å; C283-K286 PolarHBondContact O-N 2.79Å; Y284-K286 VanDerWaalsContact C-N 3.34Å; Y284-K286 PolarHBondContact O-N 3.16Å; K286-I288 VanDerWaalsContact C-N 3.29Å; K286-I288 PolarHBondContact O-N 2.99Å; K286-E289 PolarHBondContact O-N 2.97Å; K286-T290 PolarHBondContact O-N 3.01Å; K286-T290 PolarHBondContact O-OG1 2.97Å
287	A	94.3	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-35.8	172.9	0	0	0	0	0	111.8	R264 C283 Y284 L285 Q291 A297	R264-A287 HydrophobicContact CB-CB 4.32Å; C283-A287 WeakPolarHBondContact O-CB 3.18Å; C283-A287 PolarHBondContact O-N 3.24Å; Y284-A287 PolarHBondContact O-N 3.16Å; Y284-A287 VanDerWaalsContact O-N 3.17Å; L285-A287 PolarHBondContact O-N 3.3Å; A287-Q291 PolarHBondContact O-N 3.25Å; A287-A297 HydrophobicContact CB-CB 4.23Å
288	I	95.3	Very high	94.8	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.087	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-39.8	173	-67.6	163.7	0	0	0	111.3	Y284 L285 K286 T290 Q291 P292 A297 W298 L301	Y284-I288 VanDerWaalsContact O-CG1 3.31Å; Y284-I288 WeakPolarHBondContact O-CG1 3.45Å; Y284-I288 PolarHBondContact O-N 3.47Å; L285-I288 WeakPolarHBondContact O-CB 3.29Å; L285-I288 PolarHBondContact O-N 3.4Å; K286-I288 VanDerWaalsContact C-N 3.29Å; K286-I288 PolarHBondContact O-N 2.99Å; I288-T290 VanDerWaalsContact C-N 3.34Å; I288-T290 PolarHBondContact O-N 3.21Å; I288-Q291 CarbonylContact O-C 3.27Å; I288-Q291 VanDerWaalsContact O-C 3.27Å; I288-Q291 PolarHBondContact O-N 3.13Å; I288-P292 WeakPolarHBondContact O-CA 3.35Å; I288-P292 WeakPolarHBondContact O-CD 3.36Å; I288-P292 WeakPolarHBondContact O-CG 3.34Å; I288-A297 HydrophobicContact CD1-CB 4.28Å; I288-A297 HydrophobicContact CG1-CB 3.78Å; I288-W298 HydrophobicContact CD1-CD2 3.84Å; I288-W298 HydrophobicContact CD1-CE3 4.3Å; I288-W298 HydrophobicContact CD1-CG 4.01Å; I288-W298 HydrophobicContact CD1-CZ2 4.48Å; I288-W298 HydrophobicContact CG1-CD2 4.37Å; I288-W298 HydrophobicContact CG1-CG 4.34Å; I288-W298 HydrophobicContact CG2-CH2 4.17Å; I288-W298 HydrophobicContact CG2-CZ2 3.38Å; I288-L301 HydrophobicContact CD1-CD2 3.8Å
289	E	94.5	Very high	95	Very high	142 Å²	142	47.9 Å²	47.9	66%	0.664	24%	0.243	S	C	*	.	H	α-helix	trans	-59	-43.8	174.2	-73.4	168.4	179.3	0	0	111.6	L285 K286	L285-E289 WeakPolarHBondContact O-CG 3.31Å; L285-E289 PolarHBondContact O-N 2.93Å; K286-E289 PolarHBondContact O-N 2.97Å
290	T	92.9	Very high	95	Very high	51 Å²	51	45.2 Å²	45.2	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-70.6	-43.9	176.8	-55.8	0	0	0	0	112.7	D259 Y261 K286 I288	D259-T290 HydrophobicContact CB-CG2 4.19Å; D259-T290 WeakPolarHBondContact O-CG2 3.44Å; Y261-T290 HydrophobicContact CD1-CG2 4.31Å; K286-T290 PolarHBondContact O-N 3.01Å; K286-T290 PolarHBondContact O-OG1 2.97Å; I288-T290 VanDerWaalsContact C-N 3.34Å; I288-T290 PolarHBondContact O-N 3.21Å
291	Q	94.8	Very high	95.1	Very high	68 Å²	68	45.2 Å²	45.2	32%	0.318	23%	0.231	S	C	.	.			trans	-135.9	86.7	-179.6	-176.1	58.9	25.8	0	0	111.3	Y261 A287 I288 Q293 F294	Y261-Q291 HydrophobicContact CD1-CB 3.8Å; Y261-Q291 HydrophobicContact CD1-CG 4.42Å; Y261-Q291 HydrophobicContact CD2-CB 3.82Å; Y261-Q291 HydrophobicContact CD2-CG 4.22Å; Y261-Q291 HydrophobicContact CE1-CB 4.05Å; Y261-Q291 HydrophobicContact CE1-CG 4.17Å; Y261-Q291 HydrophobicContact CE2-CB 4.07Å; Y261-Q291 HydrophobicContact CE2-CG 3.95Å; Y261-Q291 HydrophobicContact CG-CB 3.69Å; Y261-Q291 HydrophobicContact CG-CG 4.45Å; A287-Q291 PolarHBondContact O-N 3.25Å; I288-Q291 CarbonylContact O-C 3.27Å; I288-Q291 VanDerWaalsContact O-C 3.27Å; I288-Q291 PolarHBondContact O-N 3.13Å; Q291-Q293 PolarHBondContact O-N 3.27Å; Q291-F294 HydrophobicContact CB-CB 4.34Å; Q291-F294 HydrophobicContact CG-CB 4.07Å; Q291-F294 WeakPolarHBondContact O-CB 3.28Å; Q291-F294 PolarHBondContact O-N 2.87Å
292	P	94.1	Very high	95.1	Very high	76 Å²	76	43.4 Å²	43.4	49%	0.494	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.5	-173.6	-28.4	35.2	0	0	0	115.6	I288 F294 W298	I288-P292 WeakPolarHBondContact O-CA 3.35Å; I288-P292 WeakPolarHBondContact O-CD 3.36Å; I288-P292 WeakPolarHBondContact O-CG 3.34Å; P292-F294 VanDerWaalsContact C-N 3.32Å; P292-W298 PolarHBondContact O-NE1 2.83Å
293	Q	94.4	Very high	95.1	Very high	147 Å²	147	40.9 Å²	40.9	69%	0.687	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	1.1	179.1	-58.5	-176.5	20.1	0	0	113.9	Q291 A295 L324	Q291-Q293 PolarHBondContact O-N 3.27Å; Q293-A295 PolarHBondContact O-N 2.73Å; Q293-L324 HydrophobicContact CB-CD2 4.3Å; Q293-L324 HydrophobicContact CG-CD2 4.41Å
294	F	94.5	Very high	95	Very high	43 Å²	43	40.7 Å²	40.7	19%	0.189	21%	0.207	C	C	.	.			trans	-78	85	-176.2	-173.1	-138.1	0	0	0	112.1	Y261 Q291 P292 V296 A297	Y261-F294 HydrophobicContact CD2-CB 4.29Å; Y261-F294 AromaticContact CD2-CD1 3.71Å; Y261-F294 HydrophobicContact CD2-CD1 3.71Å; Y261-F294 HydrophobicContact CD2-CD2 4.42Å; Y261-F294 HydrophobicContact CD2-CE1 4.07Å; Y261-F294 AromaticContact CD2-CG 3.91Å; Y261-F294 HydrophobicContact CD2-CG 3.91Å; Y261-F294 HydrophobicContact CE2-CB 4.33Å; Y261-F294 HydrophobicContact CE2-CD1 4.16Å; Y261-F294 HydrophobicContact CE2-CD2 4.04Å; Y261-F294 HydrophobicContact CE2-CE1 4.47Å; Y261-F294 HydrophobicContact CE2-CE2 4.38Å; Y261-F294 AromaticContact CE2-CG 3.94Å; Y261-F294 HydrophobicContact CE2-CG 3.94Å; Q291-F294 HydrophobicContact CB-CB 4.34Å; Q291-F294 HydrophobicContact CG-CB 4.07Å; Q291-F294 WeakPolarHBondContact O-CB 3.28Å; Q291-F294 PolarHBondContact O-N 2.87Å; P292-F294 VanDerWaalsContact C-N 3.32Å; F294-V296 HydrophobicContact CD2-CB 4.3Å; F294-V296 HydrophobicContact CD2-CG2 4.35Å; F294-V296 HydrophobicContact CE1-CB 4.21Å; F294-V296 HydrophobicContact CE2-CB 3.76Å; F294-V296 HydrophobicContact CE2-CG2 3.74Å; F294-V296 HydrophobicContact CZ-CB 3.72Å; F294-V296 HydrophobicContact CZ-CG1 4.29Å; F294-V296 HydrophobicContact CZ-CG2 4.13Å; F294-V296 PolarHBondContact O-N 2.68Å; F294-V296 VanDerWaalsContact O-N 3.08Å; F294-A297 HydrophobicContact CD1-CB 3.62Å; F294-A297 HydrophobicContact CE1-CB 4.13Å; F294-A297 HydrophobicContact CG-CB 4.46Å; F294-A297 PolarHBondContact O-N 3.47Å
295	A	95.5	Very high	95	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-50.8	-34.7	-174.9	0	0	0	0	0	114.4	Q293 A297 W298 S299 A321 L324 D325 F328	Q293-A295 PolarHBondContact O-N 2.73Å; A295-A297 PolarHBondContact O-N 3.38Å; A295-W298 WeakPolarHBondContact O-CB 3.47Å; A295-W298 PolarHBondContact O-N 3.35Å; A295-S299 PolarHBondContact O-N 3.01Å; A295-A321 WeakPolarHBondContact O-CB 3.42Å; A295-L324 HydrophobicContact CB-CB 3.85Å; A295-D325 HydrophobicContact CB-CB 3.89Å; A295-F328 HydrophobicContact CB-CD1 4.12Å; A295-F328 HydrophobicContact CB-CE1 4.39Å
296	V	94.7	Very high	94.8	Very high	58 Å²	58	40.5 Å²	40.5	35%	0.352	21%	0.206	S	C	.	.	H	α-helix	trans	-58.9	-45.7	178.5	-174.9	0	0	0	0	111.7	F294 W298 S299 N300	F294-V296 HydrophobicContact CD2-CB 4.3Å; F294-V296 HydrophobicContact CD2-CG2 4.35Å; F294-V296 HydrophobicContact CE1-CB 4.21Å; F294-V296 HydrophobicContact CE2-CB 3.76Å; F294-V296 HydrophobicContact CE2-CG2 3.74Å; F294-V296 HydrophobicContact CZ-CB 3.72Å; F294-V296 HydrophobicContact CZ-CG1 4.29Å; F294-V296 HydrophobicContact CZ-CG2 4.13Å; F294-V296 PolarHBondContact O-N 2.68Å; F294-V296 VanDerWaalsContact O-N 3.08Å; V296-W298 VanDerWaalsContact C-N 3.34Å; V296-W298 PolarHBondContact O-N 2.92Å; V296-S299 PolarHBondContact O-N 3.14Å; V296-N300 WeakPolarHBondContact O-CB 3.42Å; V296-N300 PolarHBondContact O-N 3.1Å; V296-N300 PolarHBondContact O-ND2 2.67Å
297	A	95.1	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-35.5	178.8	0	0	0	0	0	112.3	A287 I288 F294 A295 L301	A287-A297 HydrophobicContact CB-CB 4.23Å; I288-A297 HydrophobicContact CD1-CB 4.28Å; I288-A297 HydrophobicContact CG1-CB 3.78Å; F294-A297 HydrophobicContact CD1-CB 3.62Å; F294-A297 HydrophobicContact CE1-CB 4.13Å; F294-A297 HydrophobicContact CG-CB 4.46Å; F294-A297 PolarHBondContact O-N 3.47Å; A295-A297 PolarHBondContact O-N 3.38Å; A297-L301 VanDerWaalsContact O-CB 3.25Å; A297-L301 WeakPolarHBondContact O-CB 3.41Å; A297-L301 PolarHBondContact O-N 3.01Å
298	W	97.5	Very high	94.4	Very high	41 Å²	41	42.9 Å²	42.9	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-46.2	172.7	-72.6	94.6	0	0	0	112	I288 P292 A295 V296 L301 G302 H317 K320 A321 L324	I288-W298 HydrophobicContact CD1-CD2 3.84Å; I288-W298 HydrophobicContact CD1-CE3 4.3Å; I288-W298 HydrophobicContact CD1-CG 4.01Å; I288-W298 HydrophobicContact CD1-CZ2 4.48Å; I288-W298 HydrophobicContact CG1-CD2 4.37Å; I288-W298 HydrophobicContact CG1-CG 4.34Å; I288-W298 HydrophobicContact CG2-CH2 4.17Å; I288-W298 HydrophobicContact CG2-CZ2 3.38Å; P292-W298 PolarHBondContact O-NE1 2.83Å; A295-W298 WeakPolarHBondContact O-CB 3.47Å; A295-W298 PolarHBondContact O-N 3.35Å; V296-W298 VanDerWaalsContact C-N 3.34Å; V296-W298 PolarHBondContact O-N 2.92Å; W298-L301 PolarHBondContact O-N 3.45Å; W298-G302 PolarHBondContact O-N 2.88Å; W298-H317 HydrophobicContact CE3-CB 4.46Å; W298-H317 AromaticContact CE3-ND1 3.25Å; W298-H317 VanDerWaalsContact CE3-ND1 3.25Å; W298-H317 AromaticContact CZ3-CE1 3.77Å; W298-H317 AromaticContact CZ3-ND1 3.28Å; W298-H317 VanDerWaalsContact CZ3-ND1 3.28Å; W298-H317 WeakPolarHBondContact CZ3-ND1 3.49Å; W298-K320 HydrophobicContact CD2-CB 3.81Å; W298-K320 HydrophobicContact CE3-CB 3.46Å; W298-K320 VanDerWaalsContact CE3-CB 3.46Å; W298-K320 HydrophobicContact CE3-CG 3.87Å; W298-K320 HydrophobicContact CG-CB 4.3Å; W298-K320 HydrophobicContact CH2-CG 4.4Å; W298-K320 HydrophobicContact CZ3-CB 3.94Å; W298-K320 HydrophobicContact CZ3-CG 3.79Å; W298-A321 HydrophobicContact CB-CB 3.92Å; W298-L324 VanDerWaalsContact CD1-CD1 3.41Å; W298-L324 HydrophobicContact CG-CD1 4.16Å
299	S	96.4	Very high	94.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-43	177.5	-173	0	0	0	0	111.9	A295 V296 L301 G302 C303 F318	A295-S299 PolarHBondContact O-N 3.01Å; V296-S299 PolarHBondContact O-N 3.14Å; S299-L301 PolarHBondContact O-N 3.34Å; S299-G302 PolarHBondContact O-N 3.22Å; S299-C303 PolarHBondContact O-N 3.05Å; S299-C303 PolarHBondContact O-SG 3.23Å; S299-F318 WeakPolarHBondContact O-CE1 3.42Å
300	N	95.4	Very high	94	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-37.9	177.7	-73.5	-23.1	0	0	0	113	N269 Y284 V296 C303 V304	N269-N300 PolarHBondContact OD1-ND2 3.48Å; Y284-N300 HydrophobicContact CD1-CB 3.84Å; Y284-N300 HydrophobicContact CD2-CB 4.3Å; Y284-N300 HydrophobicContact CE1-CB 3.47Å; Y284-N300 VanDerWaalsContact CE1-CB 3.47Å; Y284-N300 HydrophobicContact CE2-CB 3.99Å; Y284-N300 HydrophobicContact CG-CB 4.25Å; V296-N300 WeakPolarHBondContact O-CB 3.42Å; V296-N300 PolarHBondContact O-N 3.1Å; V296-N300 PolarHBondContact O-ND2 2.67Å; N300-C303 WeakPolarHBondContact O-CB 3.42Å; N300-C303 PolarHBondContact O-N 3.34Å; N300-V304 PolarHBondContact O-N 3.24Å; N300-V304 VanDerWaalsContact O-N 3.14Å
301	L	95.9	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-41.4	172.7	-177.7	58.9	0	0	0	111.5	K281 Y284 L285 I288 A297 W298 S299 C303 V304 F305	K281-L301 HydrophobicContact CB-CD1 4.38Å; K281-L301 HydrophobicContact CG-CD1 3.9Å; Y284-L301 HydrophobicContact CD2-CB 4.45Å; L285-L301 HydrophobicContact CD2-CD2 3.69Å; L285-L301 HydrophobicContact CG-CD1 4.42Å; L285-L301 HydrophobicContact CG-CD2 4.18Å; I288-L301 HydrophobicContact CD1-CD2 3.8Å; A297-L301 VanDerWaalsContact O-CB 3.25Å; A297-L301 WeakPolarHBondContact O-CB 3.41Å; A297-L301 PolarHBondContact O-N 3.01Å; W298-L301 PolarHBondContact O-N 3.45Å; S299-L301 PolarHBondContact O-N 3.34Å; L301-C303 VanDerWaalsContact C-N 3.3Å; L301-C303 PolarHBondContact O-N 3.12Å; L301-V304 PolarHBondContact O-N 3.1Å; L301-V304 VanDerWaalsContact O-N 3.12Å; L301-F305 HydrophobicContact CD1-CD2 4.03Å; L301-F305 HydrophobicContact CD1-CE2 3.58Å; L301-F305 HydrophobicContact CD1-CZ 4.39Å; L301-F305 HydrophobicContact CD2-CE2 4.27Å; L301-F305 HydrophobicContact CG-CD2 3.99Å; L301-F305 HydrophobicContact CG-CE2 3.7Å; L301-F305 WeakPolarHBondContact O-CD2 3.19Å; L301-F305 PolarHBondContact O-N 3.27Å
302	G	95.6	Very high	93.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-40.4	171.8	0	0	0	0	0	112.8	W298 S299 V304 F305 N306 A314	W298-G302 PolarHBondContact O-N 2.88Å; S299-G302 PolarHBondContact O-N 3.22Å; G302-V304 PolarHBondContact O-N 3.22Å; G302-F305 PolarHBondContact O-N 3.25Å; G302-N306 PolarHBondContact O-N 3.33Å; G302-A314 WeakPolarHBondContact O-CB 3.5Å
303	C	94.5	Very high	93.8	Very high	17 Å²	17	47.9 Å²	47.9	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-39.8	173.9	-62.7	0	0	0	0	112.8	S299 N300 L301 N306 S307 F318	S299-C303 PolarHBondContact O-N 3.05Å; S299-C303 PolarHBondContact O-SG 3.23Å; N300-C303 WeakPolarHBondContact O-CB 3.42Å; N300-C303 PolarHBondContact O-N 3.34Å; L301-C303 VanDerWaalsContact C-N 3.3Å; L301-C303 PolarHBondContact O-N 3.12Å; C303-N306 PolarHBondContact O-N 2.89Å; C303-S307 PolarHBondContact O-N 2.83Å; C303-S307 PolarHBondContact O-OG 3.27Å; C303-F318 HydrophobicContact CB-CZ 4.39Å; C303-F318 VanDerWaalsContact N-CZ 3.33Å
304	V	94.6	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-47.5	178	174.6	0	0	0	0	110.6	K272 L277 A280 K281 Y284 N300 L301 G302 N306 S307 Q308	K272-V304 HydrophobicContact CD-CG2 4.42Å; L277-V304 HydrophobicContact CB-CG1 4.15Å; L277-V304 HydrophobicContact CD2-CG1 4.48Å; A280-V304 HydrophobicContact CB-CG2 4.49Å; K281-V304 HydrophobicContact CB-CG1 4.19Å; Y284-V304 HydrophobicContact CD2-CG2 4.21Å; Y284-V304 HydrophobicContact CE2-CG2 3.73Å; N300-V304 PolarHBondContact O-N 3.24Å; N300-V304 VanDerWaalsContact O-N 3.14Å; L301-V304 PolarHBondContact O-N 3.1Å; L301-V304 VanDerWaalsContact O-N 3.12Å; G302-V304 PolarHBondContact O-N 3.22Å; V304-N306 VanDerWaalsContact C-N 3.26Å; V304-N306 PolarHBondContact O-N 2.9Å; V304-S307 WeakPolarHBondContact O-CB 3.49Å; V304-S307 PolarHBondContact O-N 3.12Å; V304-S307 VanDerWaalsContact O-N 3.12Å; V304-Q308 HydrophobicContact CG1-CG 4.48Å; V304-Q308 WeakPolarHBondContact O-CG 3.46Å; V304-Q308 PolarHBondContact O-N 3.25Å
305	F	94.4	Very high	94	Very high	18 Å²	18	39 Å²	39	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-36.7	176.2	-76.9	-64.1	0	0	0	112.2	L301 G302 Q308 G309 E310 L313 A314 H317	L301-F305 HydrophobicContact CD1-CD2 4.03Å; L301-F305 HydrophobicContact CD1-CE2 3.58Å; L301-F305 HydrophobicContact CD1-CZ 4.39Å; L301-F305 HydrophobicContact CD2-CE2 4.27Å; L301-F305 HydrophobicContact CG-CD2 3.99Å; L301-F305 HydrophobicContact CG-CE2 3.7Å; L301-F305 WeakPolarHBondContact O-CD2 3.19Å; L301-F305 PolarHBondContact O-N 3.27Å; G302-F305 PolarHBondContact O-N 3.25Å; F305-Q308 CarbonylContact O-C 3.6Å; F305-Q308 PolarHBondContact O-N 2.92Å; F305-Q308 VanDerWaalsContact O-N 3.11Å; F305-G309 PolarHBondContact O-N 3.16Å; F305-E310 HydrophobicContact CB-CB 4.08Å; F305-E310 HydrophobicContact CD1-CB 3.81Å; F305-E310 HydrophobicContact CD1-CG 4.19Å; F305-E310 HydrophobicContact CG-CB 4.4Å; F305-E310 PolarHBondContact O-N 3.1Å; F305-L313 HydrophobicContact CB-CB 4.04Å; F305-L313 HydrophobicContact CD1-CB 3.82Å; F305-L313 HydrophobicContact CD1-CD1 3.69Å; F305-L313 HydrophobicContact CD1-CG 4.41Å; F305-L313 HydrophobicContact CD2-CB 4.03Å; F305-L313 HydrophobicContact CE1-CB 4.22Å; F305-L313 HydrophobicContact CE1-CD1 3.47Å; F305-L313 VanDerWaalsContact CE1-CD1 3.47Å; F305-L313 HydrophobicContact CE1-CG 4.46Å; F305-L313 HydrophobicContact CE2-CB 4.4Å; F305-L313 HydrophobicContact CG-CB 3.7Å; F305-L313 HydrophobicContact CG-CD1 4.43Å; F305-L313 HydrophobicContact CZ-CB 4.49Å; F305-L313 HydrophobicContact CZ-CD1 4.03Å; F305-A314 HydrophobicContact CB-CB 4.09Å; F305-H317 AromaticContact CD2-CD2 3.4Å; F305-H317 WeakPolarHBondContact CD2-CD2 3.47Å; F305-H317 AromaticContact CD2-NE2 3.8Å; F305-H317 AromaticContact CE2-CD2 3.44Å; F305-H317 VanDerWaalsContact CE2-CD2 3.44Å; F305-H317 WeakPolarHBondContact CE2-CD2 3.14Å; F305-H317 AromaticContact CE2-NE2 3.3Å; F305-H317 VanDerWaalsContact CE2-NE2 3.3Å; F305-H317 WeakPolarHBondContact CE2-NE2 3.23Å
306	N	92.8	Very high	94	Very high	49 Å²	49	42.9 Å²	42.9	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-44.2	174.3	-158.6	52	0	0	0	111.9	G302 C303 V304 Q308 G309 A314 V338	G302-N306 PolarHBondContact O-N 3.33Å; C303-N306 PolarHBondContact O-N 2.89Å; V304-N306 VanDerWaalsContact C-N 3.26Å; V304-N306 PolarHBondContact O-N 2.9Å; N306-Q308 PolarHBondContact O-N 3.5Å; N306-Q308 VanDerWaalsContact O-N 3.17Å; N306-G309 PolarHBondContact O-N 2.68Å; N306-A314 HydrophobicContact CB-CB 3.91Å; N306-V338 HydrophobicContact CB-CG2 4.23Å; N306-V338 VanDerWaalsContact CG-CG2 3.45Å; N306-V338 VanDerWaalsContact OD1-CG2 3.22Å; N306-V338 WeakPolarHBondContact OD1-CG2 3.4Å
307	S	90.1	Very high	94.1	Very high	78 Å²	78	41 Å²	41	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-63.6	-17	174.4	-55.5	0	0	0	0	113.8	C303 V304	C303-S307 PolarHBondContact O-N 2.83Å; C303-S307 PolarHBondContact O-OG 3.27Å; V304-S307 WeakPolarHBondContact O-CB 3.49Å; V304-S307 PolarHBondContact O-N 3.12Å; V304-S307 VanDerWaalsContact O-N 3.12Å
308	Q	89.6	Confident	94.2	Very high	60 Å²	60	41.2 Å²	41.2	28%	0.28	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4	175.2	-67.4	-175.6	-33.9	0	0	113.3	L277 E278 V304 F305 N306 E310	L277-Q308 HydrophobicContact CD1-CG 4.32Å; E278-Q308 PolarHBondContact OE1-NE2 3.18Å; V304-Q308 HydrophobicContact CG1-CG 4.48Å; V304-Q308 WeakPolarHBondContact O-CG 3.46Å; V304-Q308 PolarHBondContact O-N 3.25Å; F305-Q308 CarbonylContact O-C 3.6Å; F305-Q308 PolarHBondContact O-N 2.92Å; F305-Q308 VanDerWaalsContact O-N 3.11Å; N306-Q308 PolarHBondContact O-N 3.5Å; N306-Q308 VanDerWaalsContact O-N 3.17Å; Q308-E310 VanDerWaalsContact C-N 3.27Å; Q308-E310 HydrophobicContact CB-CG 4.24Å
309	G	88.2	Confident	94.1	Very high	52 Å²	52	42.7 Å²	42.7	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.6	-174	0	0	0	0	0	114.4	F305 N306 I311	F305-G309 PolarHBondContact O-N 3.16Å; N306-G309 PolarHBondContact O-N 2.68Å; G309-I311 PolarHBondContact O-N 3.43Å
310	E	92.4	Very high	94.2	Very high	102 Å²	102	46.9 Å²	46.9	48%	0.477	24%	0.239	S	C	.	.			trans	-83.4	60.8	-179.5	-67.6	-65.8	169.1	0	0	111	F305 Q308 W312 L313 A314	F305-E310 HydrophobicContact CB-CB 4.08Å; F305-E310 HydrophobicContact CD1-CB 3.81Å; F305-E310 HydrophobicContact CD1-CG 4.19Å; F305-E310 HydrophobicContact CG-CB 4.4Å; F305-E310 PolarHBondContact O-N 3.1Å; Q308-E310 VanDerWaalsContact C-N 3.27Å; Q308-E310 HydrophobicContact CB-CG 4.24Å; E310-W312 VanDerWaalsContact C-N 3.28Å; E310-W312 PolarHBondContact O-N 3.46Å; E310-W312 VanDerWaalsContact O-N 3.14Å; E310-L313 HydrophobicContact CB-CB 4.28Å; E310-L313 HydrophobicContact CB-CD1 4.18Å; E310-L313 HydrophobicContact CG-CD1 4.48Å; E310-L313 PolarHBondContact O-N 2.87Å; E310-A314 PolarHBondContact O-N 2.68Å
311	I	91.2	Very high	94.2	Very high	53 Å²	53	45.8 Å²	45.8	27%	0.272	23%	0.233	S	C	.	.	H	α-helix	trans	-48.3	-45	-170.8	-66.7	174.8	0	0	0	112.6	G309 A314 I315 V338 A342	G309-I311 PolarHBondContact O-N 3.43Å; I311-A314 WeakPolarHBondContact O-CB 3.37Å; I311-A314 PolarHBondContact O-N 2.94Å; I311-I315 HydrophobicContact CG2-CD1 3.99Å; I311-I315 WeakPolarHBondContact O-CG1 3.45Å; I311-I315 PolarHBondContact O-N 3.08Å; I311-V338 HydrophobicContact CB-CG1 4.48Å; I311-V338 HydrophobicContact CG2-CG1 3.8Å; I311-A342 HydrophobicContact CG2-CB 3.74Å
312	W	92.2	Very high	94.2	Very high	181 Å²	181	46.4 Å²	46.4	69%	0.686	24%	0.237	S	C	*	.	H	α-helix	trans	-69	-35.9	-177.9	-64.9	110.1	0	0	0	113.5	E310 I315 H316 I344	E310-W312 VanDerWaalsContact C-N 3.28Å; E310-W312 PolarHBondContact O-N 3.46Å; E310-W312 VanDerWaalsContact O-N 3.14Å; W312-I315 HydrophobicContact CE3-CD1 4.14Å; W312-I315 HydrophobicContact CZ3-CD1 4.41Å; W312-H316 PolarHBondContact O-N 3.39Å; W312-H316 VanDerWaalsContact O-N 3.12Å; W312-I344 HydrophobicContact CH2-CD1 3.61Å; W312-I344 HydrophobicContact CZ3-CD1 3.56Å
313	L	94.5	Very high	94.3	Very high	71 Å²	71	51.2 Å²	51.2	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-71.3	-40.9	174.5	-64.5	176.1	0	0	0	110.2	F305 E310 I315 H316 H317	F305-L313 HydrophobicContact CB-CB 4.04Å; F305-L313 HydrophobicContact CD1-CB 3.82Å; F305-L313 HydrophobicContact CD1-CD1 3.69Å; F305-L313 HydrophobicContact CD1-CG 4.41Å; F305-L313 HydrophobicContact CD2-CB 4.03Å; F305-L313 HydrophobicContact CE1-CB 4.22Å; F305-L313 HydrophobicContact CE1-CD1 3.47Å; F305-L313 VanDerWaalsContact CE1-CD1 3.47Å; F305-L313 HydrophobicContact CE1-CG 4.46Å; F305-L313 HydrophobicContact CE2-CB 4.4Å; F305-L313 HydrophobicContact CG-CB 3.7Å; F305-L313 HydrophobicContact CG-CD1 4.43Å; F305-L313 HydrophobicContact CZ-CB 4.49Å; F305-L313 HydrophobicContact CZ-CD1 4.03Å; E310-L313 HydrophobicContact CB-CB 4.28Å; E310-L313 HydrophobicContact CB-CD1 4.18Å; E310-L313 HydrophobicContact CG-CD1 4.48Å; E310-L313 PolarHBondContact O-N 2.87Å; L313-I315 PolarHBondContact O-N 2.9Å; L313-H316 PolarHBondContact O-N 2.75Å; L313-H317 PolarHBondContact O-CD2 3.35Å; L313-H317 PolarHBondContact O-N 2.74Å
314	A	96.1	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.6	-50.7	173.8	0	0	0	0	0	111.8	G302 F305 N306 E310 I311 H316 H317 F318 V338	G302-A314 WeakPolarHBondContact O-CB 3.5Å; F305-A314 HydrophobicContact CB-CB 4.09Å; N306-A314 HydrophobicContact CB-CB 3.91Å; E310-A314 PolarHBondContact O-N 2.68Å; I311-A314 WeakPolarHBondContact O-CB 3.37Å; I311-A314 PolarHBondContact O-N 2.94Å; A314-H316 PolarHBondContact O-N 2.74Å; A314-H317 PolarHBondContact O-N 3.31Å; A314-F318 HydrophobicContact CB-CD2 4.49Å; A314-F318 HydrophobicContact CB-CE2 4.25Å; A314-F318 WeakPolarHBondContact O-CD2 3.41Å; A314-F318 PolarHBondContact O-N 2.89Å; A314-V338 HydrophobicContact CB-CG1 4.1Å; A314-V338 HydrophobicContact CB-CG2 4.5Å
315	I	96.4	Very high	94.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-51.6	174.6	-68.1	163.1	0	0	0	110.7	I311 W312 L313 H317 F318 E319 L335 V338 L339 A342 I344	I311-I315 HydrophobicContact CG2-CD1 3.99Å; I311-I315 WeakPolarHBondContact O-CG1 3.45Å; I311-I315 PolarHBondContact O-N 3.08Å; W312-I315 HydrophobicContact CE3-CD1 4.14Å; W312-I315 HydrophobicContact CZ3-CD1 4.41Å; L313-I315 PolarHBondContact O-N 2.9Å; I315-H317 PolarHBondContact O-N 2.78Å; I315-F318 PolarHBondContact O-N 2.71Å; I315-E319 HydrophobicContact CG2-CG 4.31Å; I315-E319 WeakPolarHBondContact O-CB 3.3Å; I315-E319 WeakPolarHBondContact O-CG 3.4Å; I315-E319 PolarHBondContact O-N 2.92Å; I315-L335 HydrophobicContact CG2-CD1 4.15Å; I315-V338 HydrophobicContact CD1-CG1 4.24Å; I315-V338 HydrophobicContact CG1-CB 4.34Å; I315-V338 HydrophobicContact CG1-CG1 3.69Å; I315-L339 HydrophobicContact CD1-CD2 3.85Å; I315-L339 HydrophobicContact CG1-CD2 4.04Å; I315-L339 HydrophobicContact CG1-CG 4.41Å; I315-L339 HydrophobicContact CG2-CD2 4.1Å; I315-A342 HydrophobicContact CD1-CB 4.17Å; I315-I344 HydrophobicContact CD1-CD1 4.21Å
316	H	96.1	Very high	94.3	Very high	90 Å²	90	58.8 Å²	58.8	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-55.9	-47.5	-178.9	178.9	85.7	0	0	0	112.6	W312 L313 A314 E319 K320	W312-H316 PolarHBondContact O-N 3.39Å; W312-H316 VanDerWaalsContact O-N 3.12Å; L313-H316 PolarHBondContact O-N 2.75Å; A314-H316 PolarHBondContact O-N 2.74Å; H316-E319 PolarHBondContact O-N 3.24Å; H316-K320 WeakPolarHBondContact O-CG 3.5Å; H316-K320 PolarHBondContact O-N 3Å
317	H	96.2	Very high	94.4	Very high	20 Å²	20	61.8 Å²	61.8	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-71.5	-35.2	-177.3	-71.4	-67.6	0	0	0	112.6	W298 F305 L313 A314 I315 K320 A321	W298-H317 HydrophobicContact CE3-CB 4.46Å; W298-H317 AromaticContact CE3-ND1 3.25Å; W298-H317 VanDerWaalsContact CE3-ND1 3.25Å; W298-H317 AromaticContact CZ3-CE1 3.77Å; W298-H317 AromaticContact CZ3-ND1 3.28Å; W298-H317 VanDerWaalsContact CZ3-ND1 3.28Å; W298-H317 WeakPolarHBondContact CZ3-ND1 3.49Å; F305-H317 AromaticContact CD2-CD2 3.4Å; F305-H317 WeakPolarHBondContact CD2-CD2 3.47Å; F305-H317 AromaticContact CD2-NE2 3.8Å; F305-H317 AromaticContact CE2-CD2 3.44Å; F305-H317 VanDerWaalsContact CE2-CD2 3.44Å; F305-H317 WeakPolarHBondContact CE2-CD2 3.14Å; F305-H317 AromaticContact CE2-NE2 3.3Å; F305-H317 VanDerWaalsContact CE2-NE2 3.3Å; F305-H317 WeakPolarHBondContact CE2-NE2 3.23Å; L313-H317 PolarHBondContact O-CD2 3.35Å; L313-H317 PolarHBondContact O-N 2.74Å; A314-H317 PolarHBondContact O-N 3.31Å; I315-H317 PolarHBondContact O-N 2.78Å; H317-K320 PolarHBondContact O-N 2.86Å; H317-A321 PolarHBondContact O-N 3.15Å
318	F	97.6	Very high	94.7	Very high	3 Å²	3	59.5 Å²	59.5	1%	0.013	31%	0.306	C	S	.	.	H	α-helix	trans	-67.1	-40.4	171	-69.7	-55.1	0	0	0	112.5	S299 C303 A314 I315 K320 A321 V322 N334 L335 V338	S299-F318 WeakPolarHBondContact O-CE1 3.42Å; C303-F318 HydrophobicContact CB-CZ 4.39Å; C303-F318 VanDerWaalsContact N-CZ 3.33Å; A314-F318 HydrophobicContact CB-CD2 4.49Å; A314-F318 HydrophobicContact CB-CE2 4.25Å; A314-F318 WeakPolarHBondContact O-CD2 3.41Å; A314-F318 PolarHBondContact O-N 2.89Å; I315-F318 PolarHBondContact O-N 2.71Å; F318-K320 VanDerWaalsContact C-N 3.29Å; F318-K320 PolarHBondContact O-N 2.79Å; F318-A321 WeakPolarHBondContact O-CB 3.31Å; F318-A321 PolarHBondContact O-N 3.43Å; F318-A321 VanDerWaalsContact O-N 3.13Å; F318-V322 PolarHBondContact O-N 2.87Å; F318-N334 HydrophobicContact CD1-CB 4.03Å; F318-N334 HydrophobicContact CD2-CB 4.41Å; F318-N334 HydrophobicContact CE1-CB 3.51Å; F318-N334 HydrophobicContact CE2-CB 3.96Å; F318-N334 HydrophobicContact CG-CB 4.47Å; F318-N334 HydrophobicContact CZ-CB 3.48Å; F318-N334 VanDerWaalsContact CZ-CB 3.48Å; F318-L335 HydrophobicContact CB-CB 3.96Å; F318-L335 HydrophobicContact CB-CD1 4.02Å; F318-L335 HydrophobicContact CB-CG 4.46Å; F318-V338 HydrophobicContact CD2-CG2 4.38Å; F318-V338 HydrophobicContact CE2-CG2 3.94Å
319	E	96.7	Very high	94.9	Very high	72 Å²	72	58.7 Å²	58.7	34%	0.336	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-38.4	174.3	-75	-169.7	124.6	0	0	112.1	I315 H316 V322 T323 L335 R347	I315-E319 HydrophobicContact CG2-CG 4.31Å; I315-E319 WeakPolarHBondContact O-CB 3.3Å; I315-E319 WeakPolarHBondContact O-CG 3.4Å; I315-E319 PolarHBondContact O-N 2.92Å; H316-E319 PolarHBondContact O-N 3.24Å; E319-V322 WeakPolarHBondContact O-CG2 3.43Å; E319-T323 WeakPolarHBondContact O-CB 3.19Å; E319-T323 PolarHBondContact O-N 3.02Å; E319-T323 PolarHBondContact O-OG1 2.91Å; E319-L335 HydrophobicContact CG-CD1 3.87Å; E319-L335 HydrophobicContact CG-CD2 4.04Å; E319-R347 IonicContact OE1-CZ 3.8Å; E319-R347 IonicContact OE1-NE 2.78Å; E319-R347 IonicContact OE1-NH2 2.73Å; E319-R347 PolarHBondContact OE1-NH2 2.92Å; E319-R347 IonicContact OE2-NH2 2.73Å; E319-R347 PolarHBondContact OE2-NH2 3.33Å
320	K	96.7	Very high	95.1	Very high	91 Å²	91	60.8 Å²	60.8	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-43.1	172.1	-69.8	-62.7	-177.4	-174.4	0	112.1	W298 H316 H317 F318 T323 L324	W298-K320 HydrophobicContact CD2-CB 3.81Å; W298-K320 HydrophobicContact CE3-CB 3.46Å; W298-K320 VanDerWaalsContact CE3-CB 3.46Å; W298-K320 HydrophobicContact CE3-CG 3.87Å; W298-K320 HydrophobicContact CG-CB 4.3Å; W298-K320 HydrophobicContact CH2-CG 4.4Å; W298-K320 HydrophobicContact CZ3-CB 3.94Å; W298-K320 HydrophobicContact CZ3-CG 3.79Å; H316-K320 WeakPolarHBondContact O-CG 3.5Å; H316-K320 PolarHBondContact O-N 3Å; H317-K320 PolarHBondContact O-N 2.86Å; F318-K320 VanDerWaalsContact C-N 3.29Å; F318-K320 PolarHBondContact O-N 2.79Å; K320-T323 PolarHBondContact O-N 2.97Å; K320-L324 WeakPolarHBondContact O-CG 3.3Å; K320-L324 PolarHBondContact O-N 3.47Å
321	A	96.7	Very high	95.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-49.1	177.6	0	0	0	0	0	112.3	A295 W298 H317 F318 T323 L324 D325 F328 A331	A295-A321 WeakPolarHBondContact O-CB 3.42Å; W298-A321 HydrophobicContact CB-CB 3.92Å; H317-A321 PolarHBondContact O-N 3.15Å; F318-A321 WeakPolarHBondContact O-CB 3.31Å; F318-A321 PolarHBondContact O-N 3.43Å; F318-A321 VanDerWaalsContact O-N 3.13Å; A321-T323 VanDerWaalsContact C-N 3.3Å; A321-T323 PolarHBondContact O-N 3.07Å; A321-L324 PolarHBondContact O-N 3.22Å; A321-D325 PolarHBondContact O-N 3.03Å; A321-F328 HydrophobicContact CB-CD1 4.29Å; A321-F328 HydrophobicContact CB-CE1 4.44Å; A321-A331 HydrophobicContact CB-CB 4.04Å
322	V	96.1	Very high	95.6	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-73.4	-19.2	179.1	-57.7	0	0	0	0	114	F318 E319 D325 P326 A331 Y332 L335	F318-V322 PolarHBondContact O-N 2.87Å; E319-V322 WeakPolarHBondContact O-CG2 3.43Å; V322-D325 CarbonylContact O-C 3.52Å; V322-P326 WeakPolarHBondContact O-CA 3.48Å; V322-A331 HydrophobicContact CG1-CB 3.58Å; V322-Y332 HydrophobicContact CB-CD1 4.26Å; V322-Y332 HydrophobicContact CB-CD2 4.33Å; V322-Y332 HydrophobicContact CB-CE1 3.75Å; V322-Y332 HydrophobicContact CB-CE2 3.84Å; V322-Y332 HydrophobicContact CG1-CD1 3.81Å; V322-Y332 HydrophobicContact CG1-CD2 3.76Å; V322-Y332 HydrophobicContact CG1-CE1 3.83Å; V322-Y332 HydrophobicContact CG1-CE2 3.8Å; V322-Y332 HydrophobicContact CG1-CG 3.77Å; V322-Y332 HydrophobicContact CG2-CE1 3.93Å; V322-L335 HydrophobicContact CG2-CD2 4.19Å
323	T	96.3	Very high	95.8	Very high	102 Å²	102	47 Å²	47	63%	0.626	24%	0.244	S	C	*	.	H	α-helix	trans	-74.1	-36.5	170.7	-58.9	0	0	0	0	111.1	E319 K320 A321	E319-T323 WeakPolarHBondContact O-CB 3.19Å; E319-T323 PolarHBondContact O-N 3.02Å; E319-T323 PolarHBondContact O-OG1 2.91Å; K320-T323 PolarHBondContact O-N 2.97Å; A321-T323 VanDerWaalsContact C-N 3.3Å; A321-T323 PolarHBondContact O-N 3.07Å
324	L	95.8	Very high	95.9	Very high	71 Å²	71	46.2 Å²	46.2	37%	0.372	24%	0.24	S	C	.	.	H	α-helix	trans	-78.4	-38.3	178.9	-70.1	170.8	0	0	0	112.1	Q293 A295 W298 K320 A321	Q293-L324 HydrophobicContact CB-CD2 4.3Å; Q293-L324 HydrophobicContact CG-CD2 4.41Å; A295-L324 HydrophobicContact CB-CB 3.85Å; W298-L324 VanDerWaalsContact CD1-CD1 3.41Å; W298-L324 HydrophobicContact CG-CD1 4.16Å; K320-L324 WeakPolarHBondContact O-CG 3.3Å; K320-L324 PolarHBondContact O-N 3.47Å; A321-L324 PolarHBondContact O-N 3.22Å
325	D	95.2	Very high	95.9	Very high	61 Å²	61	46.7 Å²	46.7	33%	0.326	24%	0.242	S	C	.	.			trans	-128.5	96.3	171.1	-179.5	4.9	0	0	0	111.1	A295 A321 V322 N327 F328	A295-D325 HydrophobicContact CB-CB 3.89Å; A321-D325 PolarHBondContact O-N 3.03Å; V322-D325 CarbonylContact O-C 3.52Å; D325-N327 PolarHBondContact O-N 3.48Å; D325-N327 WeakPolarHBondContact OD1-CA 3.32Å; D325-N327 WeakPolarHBondContact OD1-CB 3.49Å; D325-N327 PolarHBondContact OD1-N 3.35Å; D325-F328 HydrophobicContact CB-CB 3.99Å; D325-F328 WeakPolarHBondContact O-CB 3.44Å; D325-F328 PolarHBondContact O-N 2.67Å; D325-F328 VanDerWaalsContact O-N 3.08Å
326	P	94.2	Very high	95.9	Very high	62 Å²	62	46.5 Å²	46.5	40%	0.403	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-3	176.6	-24.7	36	0	0	0	115.7	V322 Y332 R354	V322-P326 WeakPolarHBondContact O-CA 3.48Å; P326-Y332 WeakPolarHBondContact O-CE2 3.44Å; P326-R354 PolarHBondContact O-NH2 2.97Å
327	N	95	Very high	95.9	Very high	111 Å²	111	44 Å²	44	59%	0.594	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	4.8	175.6	-59.3	-39.8	0	0	0	113.1	D325 L329 L358	D325-N327 PolarHBondContact O-N 3.48Å; D325-N327 WeakPolarHBondContact OD1-CA 3.32Å; D325-N327 WeakPolarHBondContact OD1-CB 3.49Å; D325-N327 PolarHBondContact OD1-N 3.35Å; N327-L329 PolarHBondContact O-N 3.3Å; N327-L358 HydrophobicContact CB-CD2 4.17Å
328	F	94.8	Very high	95.9	Very high	31 Å²	31	43.1 Å²	43.1	14%	0.136	23%	0.227	C	C	.	.			trans	-75.2	85.7	-177.3	-163.8	176	0	0	0	112.1	A295 A321 D325 D330 A331 Y332	A295-F328 HydrophobicContact CB-CD1 4.12Å; A295-F328 HydrophobicContact CB-CE1 4.39Å; A321-F328 HydrophobicContact CB-CD1 4.29Å; A321-F328 HydrophobicContact CB-CE1 4.44Å; D325-F328 HydrophobicContact CB-CB 3.99Å; D325-F328 WeakPolarHBondContact O-CB 3.44Å; D325-F328 PolarHBondContact O-N 2.67Å; D325-F328 VanDerWaalsContact O-N 3.08Å; F328-D330 HydrophobicContact CD2-CB 4.37Å; F328-D330 HydrophobicContact CE2-CB 4.03Å; F328-D330 PolarHBondContact O-N 2.9Å; F328-A331 HydrophobicContact CB-CB 4.07Å; F328-A331 HydrophobicContact CD1-CB 3.63Å; F328-A331 HydrophobicContact CD2-CB 4.15Å; F328-A331 HydrophobicContact CE1-CB 4.09Å; F328-A331 HydrophobicContact CG-CB 3.67Å; F328-A331 PolarHBondContact O-N 2.91Å; F328-Y332 WeakPolarHBondContact O-CD2 3.18Å; F328-Y332 PolarHBondContact O-N 3.39Å
329	L	94.2	Very high	95.8	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.225	23%	0.227	C	C	.	.	H	α-helix	trans	-49.2	-53.6	-176.8	177.4	61.5	0	0	0	113.2	N327 A331 Y332 I333 A355 L358	N327-L329 PolarHBondContact O-N 3.3Å; L329-A331 VanDerWaalsContact C-N 3.27Å; L329-A331 PolarHBondContact O-N 2.96Å; L329-Y332 PolarHBondContact O-N 2.73Å; L329-Y332 VanDerWaalsContact O-N 3.09Å; L329-I333 HydrophobicContact CD1-CD1 3.94Å; L329-I333 HydrophobicContact CD1-CG1 4.23Å; L329-I333 HydrophobicContact CG-CD1 3.91Å; L329-I333 WeakPolarHBondContact O-CG1 3.32Å; L329-I333 PolarHBondContact O-N 2.94Å; L329-A355 HydrophobicContact CD1-CB 3.85Å; L329-A355 WeakPolarHBondContact CD1-O 3.38Å; L329-L358 HydrophobicContact CD1-CB 4.12Å
330	D	93.4	Very high	95.7	Very high	95 Å²	95	42.5 Å²	42.5	51%	0.508	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-34.9	-176	-58.6	-32.5	0	0	0	112.5	F328 I333 N334	F328-D330 HydrophobicContact CD2-CB 4.37Å; F328-D330 HydrophobicContact CE2-CB 4.03Å; F328-D330 PolarHBondContact O-N 2.9Å; D330-I333 PolarHBondContact O-N 3.47Å; D330-N334 WeakPolarHBondContact O-CB 3.34Å; D330-N334 VanDerWaalsContact O-CG 3.3Å; D330-N334 PolarHBondContact O-N 3.14Å; D330-N334 PolarHBondContact O-ND2 3.12Å; D330-N334 VanDerWaalsContact O-ND2 3.1Å
331	A	95.4	Very high	95.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-37.3	176.6	0	0	0	0	0	111.7	A321 V322 F328 L329 L335	A321-A331 HydrophobicContact CB-CB 4.04Å; V322-A331 HydrophobicContact CG1-CB 3.58Å; F328-A331 HydrophobicContact CB-CB 4.07Å; F328-A331 HydrophobicContact CD1-CB 3.63Å; F328-A331 HydrophobicContact CD2-CB 4.15Å; F328-A331 HydrophobicContact CE1-CB 4.09Å; F328-A331 HydrophobicContact CG-CB 3.67Å; F328-A331 PolarHBondContact O-N 2.91Å; L329-A331 VanDerWaalsContact C-N 3.27Å; L329-A331 PolarHBondContact O-N 2.96Å; A331-L335 WeakPolarHBondContact O-CB 3.39Å; A331-L335 PolarHBondContact O-N 2.79Å
332	Y	97.5	Very high	95.2	Very high	30 Å²	30	45.1 Å²	45.1	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-39.1	172.3	-78.3	-70.1	0	0	0	113.1	V322 P326 F328 L329 G336 R354 L358	V322-Y332 HydrophobicContact CB-CD1 4.26Å; V322-Y332 HydrophobicContact CB-CD2 4.33Å; V322-Y332 HydrophobicContact CB-CE1 3.75Å; V322-Y332 HydrophobicContact CB-CE2 3.84Å; V322-Y332 HydrophobicContact CG1-CD1 3.81Å; V322-Y332 HydrophobicContact CG1-CD2 3.76Å; V322-Y332 HydrophobicContact CG1-CE1 3.83Å; V322-Y332 HydrophobicContact CG1-CE2 3.8Å; V322-Y332 HydrophobicContact CG1-CG 3.77Å; V322-Y332 HydrophobicContact CG2-CE1 3.93Å; P326-Y332 WeakPolarHBondContact O-CE2 3.44Å; F328-Y332 WeakPolarHBondContact O-CD2 3.18Å; F328-Y332 PolarHBondContact O-N 3.39Å; L329-Y332 PolarHBondContact O-N 2.73Å; L329-Y332 VanDerWaalsContact O-N 3.09Å; Y332-G336 PolarHBondContact O-N 3.11Å; Y332-R354 HydrophobicContact CD1-CB 3.91Å; Y332-R354 HydrophobicContact CD1-CG 3.7Å; Y332-R354 HydrophobicContact CD2-CG 4Å; Y332-R354 HydrophobicContact CE1-CB 3.93Å; Y332-R354 HydrophobicContact CE1-CG 3.35Å; Y332-R354 HydrophobicContact CE2-CG 3.66Å; Y332-R354 HydrophobicContact CG-CB 4.36Å; Y332-R354 HydrophobicContact CG-CG 4.01Å; Y332-L358 HydrophobicContact CD2-CD1 3.7Å; Y332-L358 HydrophobicContact CE2-CD1 3.97Å
333	I	96.5	Very high	95	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-48.8	177	-64.9	175	0	0	0	110.2	L329 D330 G336 N337 A355 V365	L329-I333 HydrophobicContact CD1-CD1 3.94Å; L329-I333 HydrophobicContact CD1-CG1 4.23Å; L329-I333 HydrophobicContact CG-CD1 3.91Å; L329-I333 WeakPolarHBondContact O-CG1 3.32Å; L329-I333 PolarHBondContact O-N 2.94Å; D330-I333 PolarHBondContact O-N 3.47Å; I333-G336 PolarHBondContact O-N 2.54Å; I333-N337 VanDerWaalsContact O-CG 3.23Å; I333-N337 PolarHBondContact O-N 3.41Å; I333-N337 PolarHBondContact O-ND2 3.49Å; I333-N337 PolarHBondContact O-OD1 2.86Å; I333-A355 HydrophobicContact CG1-CB 3.82Å; I333-V365 HydrophobicContact CD1-CG2 3.75Å; I333-V365 HydrophobicContact CG1-CG2 3.72Å; I333-V365 HydrophobicContact CG2-CG2 4.31Å
334	N	96.4	Very high	94.9	Very high	53 Å²	53	49 Å²	49	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-42.8	178.3	-70.3	-35.4	0	0	0	111.8	F318 D330 G336 N337 V338	F318-N334 HydrophobicContact CD1-CB 4.03Å; F318-N334 HydrophobicContact CD2-CB 4.41Å; F318-N334 HydrophobicContact CE1-CB 3.51Å; F318-N334 HydrophobicContact CE2-CB 3.96Å; F318-N334 HydrophobicContact CG-CB 4.47Å; F318-N334 HydrophobicContact CZ-CB 3.48Å; F318-N334 VanDerWaalsContact CZ-CB 3.48Å; D330-N334 WeakPolarHBondContact O-CB 3.34Å; D330-N334 VanDerWaalsContact O-CG 3.3Å; D330-N334 PolarHBondContact O-N 3.14Å; D330-N334 PolarHBondContact O-ND2 3.12Å; D330-N334 VanDerWaalsContact O-ND2 3.1Å; N334-G336 VanDerWaalsContact C-N 3.32Å; N334-G336 PolarHBondContact O-N 3.44Å; N334-N337 PolarHBondContact O-N 2.95Å; N334-V338 WeakPolarHBondContact O-CG2 3.34Å; N334-V338 PolarHBondContact O-N 3.3Å
335	L	97.6	Very high	94.8	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-55.9	-46.6	173.5	-179.2	56.8	0	0	0	111.5	I315 F318 E319 V322 A331 N337 V338 L339 A351	I315-L335 HydrophobicContact CG2-CD1 4.15Å; F318-L335 HydrophobicContact CB-CB 3.96Å; F318-L335 HydrophobicContact CB-CD1 4.02Å; F318-L335 HydrophobicContact CB-CG 4.46Å; E319-L335 HydrophobicContact CG-CD1 3.87Å; E319-L335 HydrophobicContact CG-CD2 4.04Å; V322-L335 HydrophobicContact CG2-CD2 4.19Å; A331-L335 WeakPolarHBondContact O-CB 3.39Å; A331-L335 PolarHBondContact O-N 2.79Å; L335-N337 PolarHBondContact O-N 3.22Å; L335-V338 PolarHBondContact O-N 3.17Å; L335-L339 HydrophobicContact CD1-CD1 3.68Å; L335-L339 HydrophobicContact CD1-CG 4.01Å; L335-L339 HydrophobicContact CG-CD1 3.69Å; L335-L339 HydrophobicContact CG-CG 4.43Å; L335-L339 VanDerWaalsContact O-CB 3.31Å; L335-L339 WeakPolarHBondContact O-CB 3.42Å; L335-L339 WeakPolarHBondContact O-CD1 3.42Å; L335-L339 WeakPolarHBondContact O-CG 3.26Å; L335-L339 PolarHBondContact O-N 3.05Å; L335-A351 HydrophobicContact CB-CB 4.36Å; L335-A351 HydrophobicContact CD2-CB 4.29Å; L335-A351 HydrophobicContact CG-CB 4.11Å
336	G	96.4	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-42.3	176.6	0	0	0	0	0	113.1	Y332 I333 N334 L339 K340 Y352	Y332-G336 PolarHBondContact O-N 3.11Å; I333-G336 PolarHBondContact O-N 2.54Å; N334-G336 VanDerWaalsContact C-N 3.32Å; N334-G336 PolarHBondContact O-N 3.44Å; G336-L339 PolarHBondContact O-N 2.84Å; G336-K340 WeakPolarHBondContact O-CB 3.48Å; G336-K340 PolarHBondContact O-N 3.19Å; G336-Y352 VanDerWaalsContact C-OH 3.27Å; G336-Y352 PolarHBondContact O-OH 2.83Å
337	N	95.2	Very high	94.8	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-49.9	177.9	-65.3	-16.9	0	0	0	111.9	I333 N334 L335 L339 K340 E341 Y352 N368	I333-N337 VanDerWaalsContact O-CG 3.23Å; I333-N337 PolarHBondContact O-N 3.41Å; I333-N337 PolarHBondContact O-ND2 3.49Å; I333-N337 PolarHBondContact O-OD1 2.86Å; N334-N337 PolarHBondContact O-N 2.95Å; L335-N337 PolarHBondContact O-N 3.22Å; N337-L339 VanDerWaalsContact C-N 3.34Å; N337-L339 PolarHBondContact O-N 2.72Å; N337-K340 WeakPolarHBondContact O-CB 3.07Å; N337-K340 PolarHBondContact O-N 3.48Å; N337-E341 WeakPolarHBondContact O-CG 3.1Å; N337-E341 PolarHBondContact O-N 3.1Å; N337-Y352 VanDerWaalsContact CA-OH 3.26Å; N337-Y352 WeakPolarHBondContact CA-OH 3.34Å; N337-Y352 PolarHBondContact N-OH 3.21Å; N337-Y352 WeakPolarHBondContact OD1-CE1 3.42Å; N337-Y352 PolarHBondContact OD1-OH 2.63Å; N337-N368 PolarHBondContact OD1-ND2 3.34Å
338	V	96	Very high	94.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-35.9	179.8	-176	0	0	0	0	111.6	N306 I311 A314 I315 F318 N334 L335 E341 A342	N306-V338 HydrophobicContact CB-CG2 4.23Å; N306-V338 VanDerWaalsContact CG-CG2 3.45Å; N306-V338 VanDerWaalsContact OD1-CG2 3.22Å; N306-V338 WeakPolarHBondContact OD1-CG2 3.4Å; I311-V338 HydrophobicContact CB-CG1 4.48Å; I311-V338 HydrophobicContact CG2-CG1 3.8Å; A314-V338 HydrophobicContact CB-CG1 4.1Å; A314-V338 HydrophobicContact CB-CG2 4.5Å; I315-V338 HydrophobicContact CD1-CG1 4.24Å; I315-V338 HydrophobicContact CG1-CB 4.34Å; I315-V338 HydrophobicContact CG1-CG1 3.69Å; F318-V338 HydrophobicContact CD2-CG2 4.38Å; F318-V338 HydrophobicContact CE2-CG2 3.94Å; N334-V338 WeakPolarHBondContact O-CG2 3.34Å; N334-V338 PolarHBondContact O-N 3.3Å; L335-V338 PolarHBondContact O-N 3.17Å; V338-E341 PolarHBondContact O-N 2.85Å; V338-A342 VanDerWaalsContact O-CB 3.31Å; V338-A342 WeakPolarHBondContact O-CB 3.45Å; V338-A342 PolarHBondContact O-N 2.93Å
339	L	96.7	Very high	94.9	Very high	2 Å²	2	44 Å²	44	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-35.4	173.9	-71.1	167.4	0	0	0	112.6	I315 L335 G336 N337 A342 R343 I344 R347 A348 A351	I315-L339 HydrophobicContact CD1-CD2 3.85Å; I315-L339 HydrophobicContact CG1-CD2 4.04Å; I315-L339 HydrophobicContact CG1-CG 4.41Å; I315-L339 HydrophobicContact CG2-CD2 4.1Å; L335-L339 HydrophobicContact CD1-CD1 3.68Å; L335-L339 HydrophobicContact CD1-CG 4.01Å; L335-L339 HydrophobicContact CG-CD1 3.69Å; L335-L339 HydrophobicContact CG-CG 4.43Å; L335-L339 VanDerWaalsContact O-CB 3.31Å; L335-L339 WeakPolarHBondContact O-CB 3.42Å; L335-L339 WeakPolarHBondContact O-CD1 3.42Å; L335-L339 WeakPolarHBondContact O-CG 3.26Å; L335-L339 PolarHBondContact O-N 3.05Å; G336-L339 PolarHBondContact O-N 2.84Å; N337-L339 VanDerWaalsContact C-N 3.34Å; N337-L339 PolarHBondContact O-N 2.72Å; L339-A342 PolarHBondContact O-N 3.13Å; L339-R343 PolarHBondContact O-N 3.44Å; L339-I344 HydrophobicContact CD2-CB 4.01Å; L339-I344 HydrophobicContact CD2-CD1 4.05Å; L339-I344 HydrophobicContact CD2-CG2 4.23Å; L339-I344 PolarHBondContact O-N 3.27Å; L339-R347 HydrophobicContact CD1-CB 3.75Å; L339-R347 HydrophobicContact CD2-CB 4.12Å; L339-R347 HydrophobicContact CG-CB 4.49Å; L339-A348 HydrophobicContact CB-CB 3.73Å; L339-A351 HydrophobicContact CD1-CB 4.4Å
340	K	94.2	Very high	95	Very high	60 Å²	60	45.8 Å²	45.8	26%	0.261	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-46.1	172.2	170.9	-172.4	171.8	-163.5	0	111	G336 N337 A342 R343 A348 N368 V372	G336-K340 WeakPolarHBondContact O-CB 3.48Å; G336-K340 PolarHBondContact O-N 3.19Å; N337-K340 WeakPolarHBondContact O-CB 3.07Å; N337-K340 PolarHBondContact O-N 3.48Å; K340-A342 VanDerWaalsContact C-N 3.33Å; K340-A342 PolarHBondContact O-N 3.42Å; K340-R343 WeakPolarHBondContact O-CA 3.48Å; K340-R343 PolarHBondContact O-N 3.32Å; K340-A348 HydrophobicContact CB-CB 4.38Å; K340-N368 PolarHBondContact NZ-OD1 3.47Å; K340-N368 VanDerWaalsContact NZ-OD1 3.15Å; K340-V372 HydrophobicContact CB-CG2 4.01Å; K340-V372 HydrophobicContact CD-CG2 4.04Å; K340-V372 HydrophobicContact CG-CG2 3.85Å
341	E	91.1	Very high	95.2	Very high	117 Å²	117	41.5 Å²	41.5	55%	0.547	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-40.1	175.6	-72.4	168.3	-165.1	0	0	111.8	N337 V338 R343	N337-E341 WeakPolarHBondContact O-CG 3.1Å; N337-E341 PolarHBondContact O-N 3.1Å; V338-E341 PolarHBondContact O-N 2.85Å; E341-R343 PolarHBondContact O-N 3.4Å
342	A	92	Very high	95.3	Very high	28 Å²	28	41.5 Å²	41.5	23%	0.231	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.3	172.8	0	0	0	0	0	114.5	I311 I315 V338 L339 K340 I344	I311-A342 HydrophobicContact CG2-CB 3.74Å; I315-A342 HydrophobicContact CD1-CB 4.17Å; V338-A342 VanDerWaalsContact O-CB 3.31Å; V338-A342 WeakPolarHBondContact O-CB 3.45Å; V338-A342 PolarHBondContact O-N 2.93Å; L339-A342 PolarHBondContact O-N 3.13Å; K340-A342 VanDerWaalsContact C-N 3.33Å; K340-A342 PolarHBondContact O-N 3.42Å; A342-I344 HydrophobicContact CB-CD1 3.85Å; A342-I344 HydrophobicContact CB-CG1 3.8Å; A342-I344 PolarHBondContact O-N 3.21Å
343	R	91.6	Very high	95.2	Very high	166 Å²	166	44 Å²	44	63%	0.626	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	25.7	-172.9	-49.4	-169.9	78.4	-160.8	5.5	114.9	L339 K340 E341 F345 E375	L339-R343 PolarHBondContact O-N 3.44Å; K340-R343 WeakPolarHBondContact O-CA 3.48Å; K340-R343 PolarHBondContact O-N 3.32Å; E341-R343 PolarHBondContact O-N 3.4Å; R343-F345 VanDerWaalsContact C-N 3.26Å; R343-F345 HydrophobicContact CB-CE1 4.16Å; R343-F345 HydrophobicContact CB-CE2 4.19Å; R343-F345 HydrophobicContact CB-CZ 3.86Å; R343-F345 HydrophobicContact CG-CE1 4.48Å; R343-F345 HydrophobicContact CG-CZ 4.13Å; R343-F345 PolarHBondContact O-N 3.12Å; R343-F345 VanDerWaalsContact O-N 3.13Å; R343-E375 IonicContact CZ-OE2 2.76Å; R343-E375 IonicContact NH2-OE2 3.08Å; R343-E375 PolarHBondContact NH2-OE2 3.18Å
344	I	94.1	Very high	95.2	Very high	30 Å²	30	47.1 Å²	47.1	15%	0.154	23%	0.23	C	C	.	.			trans	-90.3	65.9	176.2	-48.4	176.8	0	0	0	108.5	W312 I315 L339 A342 D346 R347 A348	W312-I344 HydrophobicContact CH2-CD1 3.61Å; W312-I344 HydrophobicContact CZ3-CD1 3.56Å; I315-I344 HydrophobicContact CD1-CD1 4.21Å; L339-I344 HydrophobicContact CD2-CB 4.01Å; L339-I344 HydrophobicContact CD2-CD1 4.05Å; L339-I344 HydrophobicContact CD2-CG2 4.23Å; L339-I344 PolarHBondContact O-N 3.27Å; A342-I344 HydrophobicContact CB-CD1 3.85Å; A342-I344 HydrophobicContact CB-CG1 3.8Å; A342-I344 PolarHBondContact O-N 3.21Å; I344-D346 WeakPolarHBondContact CG2-OD1 3.15Å; I344-D346 PolarHBondContact O-N 2.98Å; I344-R347 HydrophobicContact CG2-CB 4.03Å; I344-R347 HydrophobicContact CG2-CG 4.21Å; I344-R347 PolarHBondContact O-N 2.86Å; I344-A348 PolarHBondContact O-N 2.79Å
345	F	94.2	Very high	95.1	Very high	28 Å²	28	44.6 Å²	44.6	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-33.7	-163.2	-62.7	-45.4	0	0	0	114.6	R343 A348 V349 V372 E375 Q376	R343-F345 VanDerWaalsContact C-N 3.26Å; R343-F345 HydrophobicContact CB-CE1 4.16Å; R343-F345 HydrophobicContact CB-CE2 4.19Å; R343-F345 HydrophobicContact CB-CZ 3.86Å; R343-F345 HydrophobicContact CG-CE1 4.48Å; R343-F345 HydrophobicContact CG-CZ 4.13Å; R343-F345 PolarHBondContact O-N 3.12Å; R343-F345 VanDerWaalsContact O-N 3.13Å; F345-A348 PolarHBondContact O-N 2.88Å; F345-V349 VanDerWaalsContact O-CG2 3.29Å; F345-V349 WeakPolarHBondContact O-CG2 3.24Å; F345-V349 PolarHBondContact O-N 2.78Å; F345-V372 HydrophobicContact CB-CG1 3.64Å; F345-V372 HydrophobicContact CD1-CG1 3.76Å; F345-V372 HydrophobicContact CD1-CG2 4.45Å; F345-V372 HydrophobicContact CG-CG1 3.99Å; F345-E375 HydrophobicContact CE1-CB 3.95Å; F345-E375 HydrophobicContact CE1-CG 4.25Å; F345-E375 HydrophobicContact CE2-CB 3.95Å; F345-E375 HydrophobicContact CZ-CB 3.54Å; F345-E375 HydrophobicContact CZ-CG 3.97Å; F345-Q376 HydrophobicContact CB-CG 3.84Å; F345-Q376 VanDerWaalsContact CB-NE2 3.29Å; F345-Q376 HydrophobicContact CD2-CG 4.01Å; F345-Q376 HydrophobicContact CG-CG 4.13Å
346	D	92.8	Very high	95	Very high	106 Å²	106	45.2 Å²	45.2	57%	0.567	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-46.8	176.9	65.1	-42.3	0	0	0	112.1	I344 S350	I344-D346 WeakPolarHBondContact CG2-OD1 3.15Å; I344-D346 PolarHBondContact O-N 2.98Å; D346-S350 PolarHBondContact O-N 3.46Å
347	R	95.9	Very high	94.9	Very high	78 Å²	78	51.1 Å²	51.1	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-73.3	-34.6	176.8	-68.7	170.4	60	-151.8	4.7	111.4	E319 L339 I344 S350 A351	E319-R347 IonicContact OE1-CZ 3.8Å; E319-R347 IonicContact OE1-NE 2.78Å; E319-R347 IonicContact OE1-NH2 2.73Å; E319-R347 PolarHBondContact OE1-NH2 2.92Å; E319-R347 IonicContact OE2-NH2 2.73Å; E319-R347 PolarHBondContact OE2-NH2 3.33Å; L339-R347 HydrophobicContact CD1-CB 3.75Å; L339-R347 HydrophobicContact CD2-CB 4.12Å; L339-R347 HydrophobicContact CG-CB 4.49Å; I344-R347 HydrophobicContact CG2-CB 4.03Å; I344-R347 HydrophobicContact CG2-CG 4.21Å; I344-R347 PolarHBondContact O-N 2.86Å; R347-S350 WeakPolarHBondContact O-CB 3.38Å; R347-S350 PolarHBondContact O-N 3.39Å; R347-A351 PolarHBondContact O-N 3.37Å
348	A	96.6	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-47	173.8	0	0	0	0	0	111.7	L339 K340 I344 F345 S350 A351 Y352 V372	L339-A348 HydrophobicContact CB-CB 3.73Å; K340-A348 HydrophobicContact CB-CB 4.38Å; I344-A348 PolarHBondContact O-N 2.79Å; F345-A348 PolarHBondContact O-N 2.88Å; A348-S350 VanDerWaalsContact C-N 3.34Å; A348-S350 PolarHBondContact O-N 2.98Å; A348-A351 PolarHBondContact O-N 3.26Å; A348-Y352 HydrophobicContact CB-CE2 4.43Å; A348-Y352 WeakPolarHBondContact O-CD2 3.15Å; A348-Y352 PolarHBondContact O-N 3.31Å; A348-V372 HydrophobicContact CB-CG2 4.29Å
349	V	96.3	Very high	94.6	Very high	21 Å²	21	54 Å²	54	13%	0.127	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-46.4	173.4	168.4	0	0	0	0	110.8	F345 A351 Y352 L353 L369 V372 Y373	F345-V349 VanDerWaalsContact O-CG2 3.29Å; F345-V349 WeakPolarHBondContact O-CG2 3.24Å; F345-V349 PolarHBondContact O-N 2.78Å; V349-A351 PolarHBondContact O-N 2.82Å; V349-Y352 PolarHBondContact O-N 3.4Å; V349-L353 HydrophobicContact CG1-CD1 3.65Å; V349-L353 HydrophobicContact CG1-CG 4.16Å; V349-L353 WeakPolarHBondContact O-CB 3.34Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.47Å; V349-L353 PolarHBondContact O-N 3.08Å; V349-L369 HydrophobicContact CB-CD1 4.19Å; V349-L369 HydrophobicContact CG1-CD1 4.12Å; V349-L369 HydrophobicContact CG2-CD1 3.85Å; V349-V372 HydrophobicContact CG2-CB 4.38Å; V349-V372 HydrophobicContact CG2-CG1 3.67Å; V349-Y373 HydrophobicContact CG1-CE1 4.08Å; V349-Y373 HydrophobicContact CG2-CD1 4.21Å; V349-Y373 HydrophobicContact CG2-CE1 3.75Å
350	S	95.9	Very high	94.2	Very high	80 Å²	80	55.7 Å²	55.7	56%	0.559	29%	0.289	S	S	*	.	H	α-helix	trans	-60	-44.1	178.3	-170.6	0	0	0	0	112.7	D346 R347 A348 R354	D346-S350 PolarHBondContact O-N 3.46Å; R347-S350 WeakPolarHBondContact O-CB 3.38Å; R347-S350 PolarHBondContact O-N 3.39Å; A348-S350 VanDerWaalsContact C-N 3.34Å; A348-S350 PolarHBondContact O-N 2.98Å; S350-R354 WeakPolarHBondContact O-CB 3.39Å; S350-R354 PolarHBondContact O-N 3.33Å
351	A	96.6	Very high	94	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-45.6	177.7	0	0	0	0	0	112.2	L335 L339 R347 A348 V349 R354 A355	L335-A351 HydrophobicContact CB-CB 4.36Å; L335-A351 HydrophobicContact CD2-CB 4.29Å; L335-A351 HydrophobicContact CG-CB 4.11Å; L339-A351 HydrophobicContact CD1-CB 4.4Å; R347-A351 PolarHBondContact O-N 3.37Å; A348-A351 PolarHBondContact O-N 3.26Å; V349-A351 PolarHBondContact O-N 2.82Å; A351-R354 PolarHBondContact O-N 3.37Å; A351-A355 PolarHBondContact O-N 2.97Å
352	Y	97.2	Very high	94.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-41.9	176.9	-67.7	-43.9	0	0	0	113	G336 N337 A348 V349 R354 A355 L356 V365 N368 L369 V372	G336-Y352 VanDerWaalsContact C-OH 3.27Å; G336-Y352 PolarHBondContact O-OH 2.83Å; N337-Y352 VanDerWaalsContact CA-OH 3.26Å; N337-Y352 WeakPolarHBondContact CA-OH 3.34Å; N337-Y352 PolarHBondContact N-OH 3.21Å; N337-Y352 WeakPolarHBondContact OD1-CE1 3.42Å; N337-Y352 PolarHBondContact OD1-OH 2.63Å; A348-Y352 HydrophobicContact CB-CE2 4.43Å; A348-Y352 WeakPolarHBondContact O-CD2 3.15Å; A348-Y352 PolarHBondContact O-N 3.31Å; V349-Y352 PolarHBondContact O-N 3.4Å; Y352-R354 VanDerWaalsContact C-N 3.26Å; Y352-R354 PolarHBondContact O-N 3.42Å; Y352-A355 WeakPolarHBondContact O-CB 3.35Å; Y352-A355 PolarHBondContact O-N 3.35Å; Y352-L356 WeakPolarHBondContact O-CG 3.38Å; Y352-L356 PolarHBondContact O-N 2.63Å; Y352-V365 HydrophobicContact CD1-CG1 3.87Å; Y352-V365 HydrophobicContact CG-CG1 4.23Å; Y352-N368 HydrophobicContact CE1-CB 4.06Å; Y352-N368 HydrophobicContact CE2-CB 4.09Å; Y352-N368 WeakPolarHBondContact OH-CB 3.43Å; Y352-L369 HydrophobicContact CD2-CB 4.23Å; Y352-L369 HydrophobicContact CD2-CD1 4.29Å; Y352-L369 HydrophobicContact CG-CB 4.48Å; Y352-V372 HydrophobicContact CE2-CG2 3.96Å
353	L	96.2	Very high	94.1	Very high	83 Å²	83	55.4 Å²	55.4	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-34.4	175	-72.1	175.9	0	0	0	111.7	V349 L356 N357 L369	V349-L353 HydrophobicContact CG1-CD1 3.65Å; V349-L353 HydrophobicContact CG1-CG 4.16Å; V349-L353 WeakPolarHBondContact O-CB 3.34Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.47Å; V349-L353 PolarHBondContact O-N 3.08Å; L353-L356 PolarHBondContact O-N 3Å; L353-N357 WeakPolarHBondContact O-CB 3.3Å; L353-N357 PolarHBondContact O-N 3.48Å; L353-L369 HydrophobicContact CD2-CD2 3.88Å; L353-L369 HydrophobicContact CG-CD2 4.44Å
354	R	95.9	Very high	94.2	Very high	82 Å²	82	50.4 Å²	50.4	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-70.2	-40.7	173.8	-176	55.2	-178.7	-179.7	8.2	112	P326 Y332 S350 A351 Y352 L356 N357 L358	P326-R354 PolarHBondContact O-NH2 2.97Å; Y332-R354 HydrophobicContact CD1-CB 3.91Å; Y332-R354 HydrophobicContact CD1-CG 3.7Å; Y332-R354 HydrophobicContact CD2-CG 4Å; Y332-R354 HydrophobicContact CE1-CB 3.93Å; Y332-R354 HydrophobicContact CE1-CG 3.35Å; Y332-R354 HydrophobicContact CE2-CG 3.66Å; Y332-R354 HydrophobicContact CG-CB 4.36Å; Y332-R354 HydrophobicContact CG-CG 4.01Å; S350-R354 WeakPolarHBondContact O-CB 3.39Å; S350-R354 PolarHBondContact O-N 3.33Å; A351-R354 PolarHBondContact O-N 3.37Å; Y352-R354 VanDerWaalsContact C-N 3.26Å; Y352-R354 PolarHBondContact O-N 3.42Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-L356 PolarHBondContact O-N 2.89Å; R354-N357 WeakPolarHBondContact O-CB 3.36Å; R354-N357 PolarHBondContact O-N 3.24Å; R354-L358 WeakPolarHBondContact O-CG 3.27Å; R354-L358 PolarHBondContact O-N 2.94Å; R354-L358 VanDerWaalsContact O-N 3.16Å
355	A	95.7	Very high	94.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-43	170.9	0	0	0	0	0	112.1	L329 I333 A351 Y352 N357 L358 S359 V365	L329-A355 HydrophobicContact CD1-CB 3.85Å; L329-A355 WeakPolarHBondContact CD1-O 3.38Å; I333-A355 HydrophobicContact CG1-CB 3.82Å; A351-A355 PolarHBondContact O-N 2.97Å; Y352-A355 WeakPolarHBondContact O-CB 3.35Å; Y352-A355 PolarHBondContact O-N 3.35Å; A355-N357 VanDerWaalsContact C-N 3.32Å; A355-N357 PolarHBondContact O-N 3.12Å; A355-L358 WeakPolarHBondContact O-CB 3.28Å; A355-L358 PolarHBondContact O-N 3.35Å; A355-L358 VanDerWaalsContact O-N 3.15Å; A355-S359 PolarHBondContact O-N 2.78Å; A355-V365 HydrophobicContact CB-CG1 4.29Å
356	L	94.8	Very high	94.4	Very high	22 Å²	22	48.8 Å²	48.8	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-26.2	176.3	-69	175.1	0	0	0	113.6	Y352 L353 R354 L358 S359 G360 H362 V365 H366 L369	Y352-L356 WeakPolarHBondContact O-CG 3.38Å; Y352-L356 PolarHBondContact O-N 2.63Å; L353-L356 PolarHBondContact O-N 3Å; R354-L356 VanDerWaalsContact C-N 3.35Å; R354-L356 PolarHBondContact O-N 2.89Å; L356-L358 VanDerWaalsContact C-N 3.34Å; L356-S359 CarbonylContact O-C 3.49Å; L356-S359 VanDerWaalsContact O-C 3.26Å; L356-G360 WeakPolarHBondContact O-CA 3.29Å; L356-G360 PolarHBondContact O-N 3.18Å; L356-H362 HydrophobicContact CD2-CB 4.32Å; L356-V365 HydrophobicContact CD1-CG1 4.2Å; L356-V365 HydrophobicContact CD2-CB 3.93Å; L356-V365 HydrophobicContact CD2-CG1 3.79Å; L356-V365 HydrophobicContact CG-CB 4.37Å; L356-V365 HydrophobicContact CG-CG1 3.66Å; L356-H366 WeakPolarHBondContact CD2-NE2 3.41Å; L356-L369 HydrophobicContact CD1-CD2 3.91Å
357	N	94.5	Very high	94.5	Very high	125 Å²	125	44 Å²	44	67%	0.668	24%	0.244	S	C	*	.	H	α-helix	trans	-72.1	-30.8	171.8	-161.9	-6.6	0	0	0	111.5	L353 R354 A355	L353-N357 WeakPolarHBondContact O-CB 3.3Å; L353-N357 PolarHBondContact O-N 3.48Å; R354-N357 WeakPolarHBondContact O-CB 3.36Å; R354-N357 PolarHBondContact O-N 3.24Å; A355-N357 VanDerWaalsContact C-N 3.32Å; A355-N357 PolarHBondContact O-N 3.12Å
358	L	93.8	Very high	94.5	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.288	24%	0.239	S	C	.	.	H	α-helix	trans	-78.7	-34.4	172.6	-63.7	171.1	0	0	0	112.5	N327 L329 Y332 R354 A355 L356	N327-L358 HydrophobicContact CB-CD2 4.17Å; L329-L358 HydrophobicContact CD1-CB 4.12Å; Y332-L358 HydrophobicContact CD2-CD1 3.7Å; Y332-L358 HydrophobicContact CE2-CD1 3.97Å; R354-L358 WeakPolarHBondContact O-CG 3.27Å; R354-L358 PolarHBondContact O-N 2.94Å; R354-L358 VanDerWaalsContact O-N 3.16Å; A355-L358 WeakPolarHBondContact O-CB 3.28Å; A355-L358 PolarHBondContact O-N 3.35Å; A355-L358 VanDerWaalsContact O-N 3.15Å; L356-L358 VanDerWaalsContact C-N 3.34Å
359	S	91.1	Very high	94.5	Very high	44 Å²	44	42 Å²	42	31%	0.308	24%	0.24	S	C	.	.			trans	-148.8	95.2	175.8	-173.8	0	0	0	0	111.8	A355 L356 N361	A355-S359 PolarHBondContact O-N 2.78Å; L356-S359 CarbonylContact O-C 3.49Å; L356-S359 VanDerWaalsContact O-C 3.26Å; S359-N361 VanDerWaalsContact C-N 3.28Å; S359-N361 PolarHBondContact O-N 3.45Å
360	G	87	Confident	94.5	Very high	39 Å²	39	41 Å²	41	40%	0.402	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.7	-173.1	0	0	0	0	0	115.4	L356 H362 H366	L356-G360 WeakPolarHBondContact O-CA 3.29Å; L356-G360 PolarHBondContact O-N 3.18Å; G360-H362 VanDerWaalsContact C-N 3.34Å; G360-H362 PolarHBondContact O-N 2.78Å; G360-H366 PolarHBondContact O-NE2 3.2Å
361	N	90.8	Very high	94.5	Very high	133 Å²	133	38.2 Å²	38.2	71%	0.711	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	25.9	-173.7	-68.3	-5.2	0	0	0	113.2	S359 A363 L392	S359-N361 VanDerWaalsContact C-N 3.28Å; S359-N361 PolarHBondContact O-N 3.45Å; N361-A363 PolarHBondContact O-N 3.47Å; N361-L392 HydrophobicContact CB-CD2 3.89Å
362	H	92.2	Very high	94.4	Very high	57 Å²	57	38 Å²	38	26%	0.264	21%	0.211	S	C	.	.			trans	-92	89.9	-176.7	-158.9	-39.3	0	0	0	112.4	L356 G360 V364 V365 H366	L356-H362 HydrophobicContact CD2-CB 4.32Å; G360-H362 VanDerWaalsContact C-N 3.34Å; G360-H362 PolarHBondContact O-N 2.78Å; H362-V364 PolarHBondContact O-N 3.25Å; H362-V365 HydrophobicContact CB-CB 4.15Å; H362-V365 HydrophobicContact CB-CG2 4.03Å; H362-V365 PolarHBondContact O-N 3.07Å; H362-H366 PolarHBondContact O-CD2 3.29Å; H362-H366 PolarHBondContact O-N 3.34Å
363	A	93.7	Very high	94.4	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	22%	0.216	C	C	.	.	H	α-helix	trans	-49.3	-48.3	-176	0	0	0	0	0	114.3	N361 V365 H366 G367 A389 L392 Q393	N361-A363 PolarHBondContact O-N 3.47Å; A363-V365 VanDerWaalsContact C-N 3.29Å; A363-V365 PolarHBondContact O-N 3.09Å; A363-H366 PolarHBondContact O-N 3.06Å; A363-G367 PolarHBondContact O-N 2.81Å; A363-A389 WeakPolarHBondContact O-CB 3.49Å; A363-L392 HydrophobicContact CB-CB 3.8Å; A363-Q393 HydrophobicContact CB-CB 3.57Å
364	V	93.5	Very high	94.4	Very high	62 Å²	62	38.5 Å²	38.5	38%	0.376	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-35.1	179.1	179.1	0	0	0	0	112.6	H362 G367 N368 F396	H362-V364 PolarHBondContact O-N 3.25Å; V364-G367 PolarHBondContact O-N 3.27Å; V364-N368 WeakPolarHBondContact O-CB 3.39Å; V364-N368 PolarHBondContact O-N 2.93Å; V364-F396 HydrophobicContact CG2-CZ 4.49Å
365	V	95.3	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-73.3	-40	178.6	178.4	0	0	0	0	110.8	I333 Y352 A355 L356 H362 A363 G367 N368 L369	I333-V365 HydrophobicContact CD1-CG2 3.75Å; I333-V365 HydrophobicContact CG1-CG2 3.72Å; I333-V365 HydrophobicContact CG2-CG2 4.31Å; Y352-V365 HydrophobicContact CD1-CG1 3.87Å; Y352-V365 HydrophobicContact CG-CG1 4.23Å; A355-V365 HydrophobicContact CB-CG1 4.29Å; L356-V365 HydrophobicContact CD1-CG1 4.2Å; L356-V365 HydrophobicContact CD2-CB 3.93Å; L356-V365 HydrophobicContact CD2-CG1 3.79Å; L356-V365 HydrophobicContact CG-CB 4.37Å; L356-V365 HydrophobicContact CG-CG1 3.66Å; H362-V365 HydrophobicContact CB-CB 4.15Å; H362-V365 HydrophobicContact CB-CG2 4.03Å; H362-V365 PolarHBondContact O-N 3.07Å; A363-V365 VanDerWaalsContact C-N 3.29Å; A363-V365 PolarHBondContact O-N 3.09Å; V365-G367 VanDerWaalsContact C-N 3.34Å; V365-N368 PolarHBondContact O-N 3.06Å; V365-L369 VanDerWaalsContact O-CB 3.25Å; V365-L369 WeakPolarHBondContact O-CB 3.34Å; V365-L369 PolarHBondContact O-N 2.89Å
366	H	96.5	Very high	94	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.111	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-45	169.3	-73.3	-81	0	0	0	111	L356 G360 H362 A363 N368 L369 A370 T385 A389 L392	L356-H366 WeakPolarHBondContact CD2-NE2 3.41Å; G360-H366 PolarHBondContact O-NE2 3.2Å; H362-H366 PolarHBondContact O-CD2 3.29Å; H362-H366 PolarHBondContact O-N 3.34Å; A363-H366 PolarHBondContact O-N 3.06Å; H366-N368 PolarHBondContact O-N 3.32Å; H366-L369 PolarHBondContact O-N 2.81Å; H366-A370 VanDerWaalsContact O-CB 3.32Å; H366-A370 WeakPolarHBondContact O-CB 3.39Å; H366-A370 PolarHBondContact O-N 3.07Å; H366-T385 HydrophobicContact CB-CG2 4.13Å; H366-T385 VanDerWaalsContact O-CG2 3.28Å; H366-T385 WeakPolarHBondContact O-CG2 3.47Å; H366-A389 HydrophobicContact CB-CB 3.83Å; H366-L392 WeakPolarHBondContact CD2-CD1 3.32Å
367	G	95.2	Very high	93.9	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-45	176.9	0	0	0	0	0	113	A363 V364 V365 A370 C371	A363-G367 PolarHBondContact O-N 2.81Å; V364-G367 PolarHBondContact O-N 3.27Å; V365-G367 VanDerWaalsContact C-N 3.34Å; G367-A370 PolarHBondContact O-N 3.06Å; G367-C371 PolarHBondContact O-N 2.84Å; G367-C371 VanDerWaalsContact O-N 3.09Å; G367-C371 PolarHBondContact O-SG 3.26Å
368	N	95.4	Very high	93.8	Very high	34 Å²	34	42.1 Å²	42.1	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-69.1	-38.1	177.3	-86.1	-21.2	0	0	0	113.5	N337 K340 Y352 V364 V365 H366 C371 V372	N337-N368 PolarHBondContact OD1-ND2 3.34Å; K340-N368 PolarHBondContact NZ-OD1 3.47Å; K340-N368 VanDerWaalsContact NZ-OD1 3.15Å; Y352-N368 HydrophobicContact CE1-CB 4.06Å; Y352-N368 HydrophobicContact CE2-CB 4.09Å; Y352-N368 WeakPolarHBondContact OH-CB 3.43Å; V364-N368 WeakPolarHBondContact O-CB 3.39Å; V364-N368 PolarHBondContact O-N 2.93Å; V365-N368 PolarHBondContact O-N 3.06Å; H366-N368 PolarHBondContact O-N 3.32Å; N368-C371 WeakPolarHBondContact O-CB 3.42Å; N368-C371 PolarHBondContact O-N 3.28Å; N368-V372 PolarHBondContact O-N 2.9Å
369	L	96.7	Very high	93.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-41.8	173.1	178.2	60.1	0	0	0	111.4	V349 Y352 L353 L356 V365 H366 C371 V372 Y373 T385	V349-L369 HydrophobicContact CB-CD1 4.19Å; V349-L369 HydrophobicContact CG1-CD1 4.12Å; V349-L369 HydrophobicContact CG2-CD1 3.85Å; Y352-L369 HydrophobicContact CD2-CB 4.23Å; Y352-L369 HydrophobicContact CD2-CD1 4.29Å; Y352-L369 HydrophobicContact CG-CB 4.48Å; L353-L369 HydrophobicContact CD2-CD2 3.88Å; L353-L369 HydrophobicContact CG-CD2 4.44Å; L356-L369 HydrophobicContact CD1-CD2 3.91Å; V365-L369 VanDerWaalsContact O-CB 3.25Å; V365-L369 WeakPolarHBondContact O-CB 3.34Å; V365-L369 PolarHBondContact O-N 2.89Å; H366-L369 PolarHBondContact O-N 2.81Å; L369-C371 VanDerWaalsContact C-N 3.32Å; L369-C371 PolarHBondContact O-N 2.9Å; L369-V372 PolarHBondContact O-N 2.94Å; L369-V372 VanDerWaalsContact O-N 3.09Å; L369-Y373 HydrophobicContact CD1-CE1 4.03Å; L369-Y373 HydrophobicContact CD1-CE2 3.93Å; L369-Y373 HydrophobicContact CD2-CE2 4.01Å; L369-Y373 HydrophobicContact CG-CD2 4.2Å; L369-Y373 HydrophobicContact CG-CE2 3.63Å; L369-Y373 PolarHBondContact O-N 2.97Å; L369-T385 HydrophobicContact CB-CG2 4.34Å; L369-T385 HydrophobicContact CD2-CG2 4.24Å; L369-T385 HydrophobicContact CG-CG2 4.27Å
370	A	96.5	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-38.3	174.8	0	0	0	0	0	112.3	H366 G367 V372 Y373 Y374 A382 T385 Y386	H366-A370 VanDerWaalsContact O-CB 3.32Å; H366-A370 WeakPolarHBondContact O-CB 3.39Å; H366-A370 PolarHBondContact O-N 3.07Å; G367-A370 PolarHBondContact O-N 3.06Å; A370-V372 VanDerWaalsContact C-N 3.32Å; A370-V372 PolarHBondContact O-N 2.88Å; A370-Y373 PolarHBondContact O-N 2.83Å; A370-Y374 WeakPolarHBondContact O-CB 3.37Å; A370-Y374 PolarHBondContact O-N 2.93Å; A370-A382 WeakPolarHBondContact O-CB 3.5Å; A370-T385 HydrophobicContact CB-CG2 3.97Å; A370-Y386 HydrophobicContact CB-CD1 3.41Å; A370-Y386 VanDerWaalsContact CB-CD1 3.41Å; A370-Y386 HydrophobicContact CB-CD2 3.84Å; A370-Y386 HydrophobicContact CB-CE1 3.41Å; A370-Y386 VanDerWaalsContact CB-CE1 3.41Å; A370-Y386 HydrophobicContact CB-CE2 3.84Å; A370-Y386 HydrophobicContact CB-CG 3.6Å
371	C	95	Very high	94.4	Very high	20 Å²	20	45.4 Å²	45.4	14%	0.135	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-39.8	171.3	-61	0	0	0	0	112.4	G367 N368 L369 Y374 E375 Y386	G367-C371 PolarHBondContact O-N 2.84Å; G367-C371 VanDerWaalsContact O-N 3.09Å; G367-C371 PolarHBondContact O-SG 3.26Å; N368-C371 WeakPolarHBondContact O-CB 3.42Å; N368-C371 PolarHBondContact O-N 3.28Å; L369-C371 VanDerWaalsContact C-N 3.32Å; L369-C371 PolarHBondContact O-N 2.9Å; C371-Y374 PolarHBondContact O-N 3.14Å; C371-E375 WeakPolarHBondContact O-CG 3.44Å; C371-E375 PolarHBondContact O-N 2.98Å; C371-Y386 WeakPolarHBondContact CA-OH 3.32Å; C371-Y386 PolarHBondContact N-OH 2.91Å; C371-Y386 PolarHBondContact SG-OH 3.42Å
372	V	96	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.8	-41	177.1	178.7	0	0	0	0	111.3	K340 F345 A348 V349 Y352 N368 L369 A370 Y374 E375 Q376	K340-V372 HydrophobicContact CB-CG2 4.01Å; K340-V372 HydrophobicContact CD-CG2 4.04Å; K340-V372 HydrophobicContact CG-CG2 3.85Å; F345-V372 HydrophobicContact CB-CG1 3.64Å; F345-V372 HydrophobicContact CD1-CG1 3.76Å; F345-V372 HydrophobicContact CD1-CG2 4.45Å; F345-V372 HydrophobicContact CG-CG1 3.99Å; A348-V372 HydrophobicContact CB-CG2 4.29Å; V349-V372 HydrophobicContact CG2-CB 4.38Å; V349-V372 HydrophobicContact CG2-CG1 3.67Å; Y352-V372 HydrophobicContact CE2-CG2 3.96Å; N368-V372 PolarHBondContact O-N 2.9Å; L369-V372 PolarHBondContact O-N 2.94Å; L369-V372 VanDerWaalsContact O-N 3.09Å; A370-V372 VanDerWaalsContact C-N 3.32Å; A370-V372 PolarHBondContact O-N 2.88Å; V372-Y374 VanDerWaalsContact C-N 3.31Å; V372-Y374 PolarHBondContact O-N 3.18Å; V372-E375 PolarHBondContact O-N 3.18Å; V372-Q376 WeakPolarHBondContact O-CB 3.05Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 3.45Å
373	Y	96.7	Very high	95	Very high	25 Å²	25	36.6 Å²	36.6	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-37.3	173.6	-67.1	-31.1	0	0	0	112.6	V349 L369 A370 Q376 G377 L378 L381	V349-Y373 HydrophobicContact CG1-CE1 4.08Å; V349-Y373 HydrophobicContact CG2-CD1 4.21Å; V349-Y373 HydrophobicContact CG2-CE1 3.75Å; L369-Y373 HydrophobicContact CD1-CE1 4.03Å; L369-Y373 HydrophobicContact CD1-CE2 3.93Å; L369-Y373 HydrophobicContact CD2-CE2 4.01Å; L369-Y373 HydrophobicContact CG-CD2 4.2Å; L369-Y373 HydrophobicContact CG-CE2 3.63Å; L369-Y373 PolarHBondContact O-N 2.97Å; A370-Y373 PolarHBondContact O-N 2.83Å; Y373-Q376 PolarHBondContact O-N 3.44Å; Y373-G377 PolarHBondContact O-N 3.45Å; Y373-L378 HydrophobicContact CD1-CD1 4.07Å; Y373-L378 WeakPolarHBondContact O-CA 3.39Å; Y373-L378 WeakPolarHBondContact O-CB 3.43Å; Y373-L378 PolarHBondContact O-N 2.76Å; Y373-L381 HydrophobicContact CD1-CD2 4.08Å; Y373-L381 HydrophobicContact CD2-CB 3.97Å; Y373-L381 HydrophobicContact CD2-CD2 4.05Å; Y373-L381 HydrophobicContact CD2-CG 4.12Å; Y373-L381 HydrophobicContact CE1-CD2 3.87Å; Y373-L381 HydrophobicContact CE2-CB 4.46Å; Y373-L381 HydrophobicContact CE2-CD2 3.83Å; Y373-L381 HydrophobicContact CE2-CG 4.1Å; Y373-L381 HydrophobicContact CG-CB 4.14Å; Y373-L381 HydrophobicContact CG-CD2 4.18Å
374	Y	95.2	Very high	95.1	Very high	69 Å²	69	40.3 Å²	40.3	27%	0.271	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-48.6	174.5	-178.7	-94.4	0	0	0	111.8	A370 C371 V372 Q376 G377 I379 A406 E409	A370-Y374 WeakPolarHBondContact O-CB 3.37Å; A370-Y374 PolarHBondContact O-N 2.93Å; C371-Y374 PolarHBondContact O-N 3.14Å; V372-Y374 VanDerWaalsContact C-N 3.31Å; V372-Y374 PolarHBondContact O-N 3.18Å; Y374-Q376 PolarHBondContact O-N 3.02Å; Y374-G377 PolarHBondContact O-N 3.07Å; Y374-I379 HydrophobicContact CD2-CD1 3.86Å; Y374-I379 HydrophobicContact CE2-CD1 4.1Å; Y374-A406 HydrophobicContact CD2-CB 3.89Å; Y374-A406 HydrophobicContact CE2-CB 4.13Å; Y374-E409 HydrophobicContact CE2-CB 4.43Å
375	E	92.2	Very high	95.3	Very high	99 Å²	99	37.8 Å²	37.8	46%	0.463	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-29.5	175.4	-76.3	-73.6	140.4	0	0	113.6	R343 F345 C371 V372 G377	R343-E375 IonicContact CZ-OE2 2.76Å; R343-E375 IonicContact NH2-OE2 3.08Å; R343-E375 PolarHBondContact NH2-OE2 3.18Å; F345-E375 HydrophobicContact CE1-CB 3.95Å; F345-E375 HydrophobicContact CE1-CG 4.25Å; F345-E375 HydrophobicContact CE2-CB 3.95Å; F345-E375 HydrophobicContact CZ-CB 3.54Å; F345-E375 HydrophobicContact CZ-CG 3.97Å; C371-E375 WeakPolarHBondContact O-CG 3.44Å; C371-E375 PolarHBondContact O-N 2.98Å; V372-E375 PolarHBondContact O-N 3.18Å; E375-G377 VanDerWaalsContact C-N 3.28Å
376	Q	92.6	Very high	95.4	Very high	76 Å²	76	38 Å²	38	36%	0.355	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.3	173.5	-72.6	-177.2	-37.1	0	0	113.8	F345 V372 Y373 Y374 L378	F345-Q376 HydrophobicContact CB-CG 3.84Å; F345-Q376 VanDerWaalsContact CB-NE2 3.29Å; F345-Q376 HydrophobicContact CD2-CG 4.01Å; F345-Q376 HydrophobicContact CG-CG 4.13Å; V372-Q376 WeakPolarHBondContact O-CB 3.05Å; V372-Q376 WeakPolarHBondContact O-CG 3.43Å; V372-Q376 PolarHBondContact O-N 3.45Å; Y373-Q376 PolarHBondContact O-N 3.44Å; Y374-Q376 PolarHBondContact O-N 3.02Å; Q376-L378 VanDerWaalsContact C-N 3.27Å; Q376-L378 HydrophobicContact CB-CD1 4.25Å; Q376-L378 HydrophobicContact CB-CG 4.12Å; Q376-L378 PolarHBondContact O-N 3.48Å
377	G	90.9	Very high	95.4	Very high	52 Å²	52	40.9 Å²	40.9	54%	0.536	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	11.4	-175.3	0	0	0	0	0	114.5	Y373 Y374 E375 I379	Y373-G377 PolarHBondContact O-N 3.45Å; Y374-G377 PolarHBondContact O-N 3.07Å; E375-G377 VanDerWaalsContact C-N 3.28Å; G377-I379 PolarHBondContact O-N 2.76Å
378	L	94.1	Very high	95.4	Very high	80 Å²	80	45.9 Å²	45.9	42%	0.419	24%	0.236	S	C	.	.			trans	-84	59.1	177.6	-59.7	177.4	0	0	0	110.4	Y373 Q376 D380 L381 A382	Y373-L378 HydrophobicContact CD1-CD1 4.07Å; Y373-L378 WeakPolarHBondContact O-CA 3.39Å; Y373-L378 WeakPolarHBondContact O-CB 3.43Å; Y373-L378 PolarHBondContact O-N 2.76Å; Q376-L378 VanDerWaalsContact C-N 3.27Å; Q376-L378 HydrophobicContact CB-CD1 4.25Å; Q376-L378 HydrophobicContact CB-CG 4.12Å; Q376-L378 PolarHBondContact O-N 3.48Å; L378-D380 PolarHBondContact O-N 2.86Å; L378-L381 HydrophobicContact CB-CB 4.1Å; L378-L381 HydrophobicContact CD1-CD2 4.43Å; L378-L381 WeakPolarHBondContact O-CB 3.26Å; L378-L381 PolarHBondContact O-N 3.46Å; L378-A382 PolarHBondContact O-N 3.16Å
379	I	94	Very high	95.4	Very high	33 Å²	33	44.2 Å²	44.2	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-42.5	-166.2	-54.3	-55.1	0	0	0	113.3	Y374 G377 L381 A382 I383 A406 E409 K410	Y374-I379 HydrophobicContact CD2-CD1 3.86Å; Y374-I379 HydrophobicContact CE2-CD1 4.1Å; G377-I379 PolarHBondContact O-N 2.76Å; I379-L381 PolarHBondContact O-N 2.71Å; I379-A382 WeakPolarHBondContact O-CB 3.27Å; I379-A382 PolarHBondContact O-N 3.12Å; I379-I383 HydrophobicContact CG2-CD1 3.94Å; I379-I383 WeakPolarHBondContact O-CG1 3.19Å; I379-I383 PolarHBondContact O-N 2.84Å; I379-A406 HydrophobicContact CG2-CB 4.4Å; I379-A406 WeakPolarHBondContact CG2-O 3.49Å; I379-E409 HydrophobicContact CD1-CG 4.19Å; I379-E409 HydrophobicContact CG1-CG 4.48Å; I379-K410 HydrophobicContact CG2-CB 4.08Å
380	D	95.3	Very high	95.4	Very high	91 Å²	91	44.7 Å²	44.7	49%	0.487	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-42.2	177.1	-71.1	-47.2	0	0	0	112.3	L378 A382 I383 D384 K410	L378-D380 PolarHBondContact O-N 2.86Å; D380-A382 VanDerWaalsContact C-N 3.33Å; D380-A382 PolarHBondContact O-N 3.08Å; D380-I383 PolarHBondContact O-N 3.19Å; D380-D384 PolarHBondContact O-N 3.48Å; D380-K410 WeakPolarHBondContact OD1-CE 3.49Å; D380-K410 IonicContact OD1-NZ 3.84Å; D380-K410 PolarHBondContact OD1-NZ 2.95Å
381	L	95.4	Very high	95.4	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-37	177.7	-129.6	71.4	0	0	0	111.5	Y373 L378 I379 T385	Y373-L381 HydrophobicContact CD1-CD2 4.08Å; Y373-L381 HydrophobicContact CD2-CB 3.97Å; Y373-L381 HydrophobicContact CD2-CD2 4.05Å; Y373-L381 HydrophobicContact CD2-CG 4.12Å; Y373-L381 HydrophobicContact CE1-CD2 3.87Å; Y373-L381 HydrophobicContact CE2-CB 4.46Å; Y373-L381 HydrophobicContact CE2-CD2 3.83Å; Y373-L381 HydrophobicContact CE2-CG 4.1Å; Y373-L381 HydrophobicContact CG-CB 4.14Å; Y373-L381 HydrophobicContact CG-CD2 4.18Å; L378-L381 HydrophobicContact CB-CB 4.1Å; L378-L381 HydrophobicContact CD1-CD2 4.43Å; L378-L381 WeakPolarHBondContact O-CB 3.26Å; L378-L381 PolarHBondContact O-N 3.46Å; I379-L381 PolarHBondContact O-N 2.71Å; L381-T385 VanDerWaalsContact O-CB 3.26Å; L381-T385 WeakPolarHBondContact O-CB 3.47Å; L381-T385 PolarHBondContact O-N 3.25Å; L381-T385 VanDerWaalsContact O-N 3.08Å; L381-T385 PolarHBondContact O-OG1 2.64Å
382	A	96.9	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-49.6	172.6	0	0	0	0	0	111.3	A370 L378 I379 D380 D384 T385 Y386	A370-A382 WeakPolarHBondContact O-CB 3.5Å; L378-A382 PolarHBondContact O-N 3.16Å; I379-A382 WeakPolarHBondContact O-CB 3.27Å; I379-A382 PolarHBondContact O-N 3.12Å; D380-A382 VanDerWaalsContact C-N 3.33Å; D380-A382 PolarHBondContact O-N 3.08Å; A382-D384 PolarHBondContact O-N 2.79Å; A382-T385 PolarHBondContact O-N 3.45Å; A382-Y386 HydrophobicContact CB-CD2 4.39Å; A382-Y386 HydrophobicContact CB-CE2 4.1Å; A382-Y386 WeakPolarHBondContact O-CD2 3.15Å; A382-Y386 PolarHBondContact O-N 3.3Å
383	I	97.2	Very high	95.3	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-55.5	-50.4	178.1	-73.1	166.2	0	0	0	111.4	I379 D380 T385 Y386 K387 L403 A406 L407 K410	I379-I383 HydrophobicContact CG2-CD1 3.94Å; I379-I383 WeakPolarHBondContact O-CG1 3.19Å; I379-I383 PolarHBondContact O-N 2.84Å; D380-I383 PolarHBondContact O-N 3.19Å; I383-T385 VanDerWaalsContact C-N 3.3Å; I383-T385 PolarHBondContact O-N 3.44Å; I383-Y386 PolarHBondContact O-N 2.74Å; I383-K387 HydrophobicContact CG2-CD 4.25Å; I383-K387 WeakPolarHBondContact O-CG 3.31Å; I383-K387 PolarHBondContact O-N 2.82Å; I383-L403 HydrophobicContact CB-CD1 4.23Å; I383-L403 HydrophobicContact CG1-CD1 4.18Å; I383-L403 HydrophobicContact CG2-CD1 3.94Å; I383-A406 HydrophobicContact CD1-CB 4.42Å; I383-A406 HydrophobicContact CG1-CB 3.72Å; I383-L407 HydrophobicContact CD1-CD2 4.04Å; I383-L407 HydrophobicContact CD1-CG 4.47Å; I383-L407 HydrophobicContact CG1-CD2 4.46Å; I383-K410 HydrophobicContact CD1-CB 4.2Å; I383-K410 HydrophobicContact CD1-CD 3.52Å; I383-K410 HydrophobicContact CD1-CG 4.49Å
384	D	96.9	Very high	95.1	Very high	87 Å²	87	59.5 Å²	59.5	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-66.9	-32	-178.9	-75.9	-9.4	0	0	0	112.4	D380 A382 K388	D380-D384 PolarHBondContact O-N 3.48Å; A382-D384 PolarHBondContact O-N 2.79Å; D384-K388 WeakPolarHBondContact O-CG 3.35Å; D384-K388 PolarHBondContact O-N 3.28Å
385	T	96.5	Very high	95.1	Very high	9 Å²	9	62 Å²	62	6%	0.055	33%	0.325	C	S	.	.	H	α-helix	trans	-80	-34.9	179.7	-50.7	0	0	0	0	111.8	H366 L369 A370 L381 A382 I383 K388 A389	H366-T385 HydrophobicContact CB-CG2 4.13Å; H366-T385 VanDerWaalsContact O-CG2 3.28Å; H366-T385 WeakPolarHBondContact O-CG2 3.47Å; L369-T385 HydrophobicContact CB-CG2 4.34Å; L369-T385 HydrophobicContact CD2-CG2 4.24Å; L369-T385 HydrophobicContact CG-CG2 4.27Å; A370-T385 HydrophobicContact CB-CG2 3.97Å; L381-T385 VanDerWaalsContact O-CB 3.26Å; L381-T385 WeakPolarHBondContact O-CB 3.47Å; L381-T385 PolarHBondContact O-N 3.25Å; L381-T385 VanDerWaalsContact O-N 3.08Å; L381-T385 PolarHBondContact O-OG1 2.64Å; A382-T385 PolarHBondContact O-N 3.45Å; I383-T385 VanDerWaalsContact C-N 3.3Å; I383-T385 PolarHBondContact O-N 3.44Å; T385-K388 PolarHBondContact O-N 3.45Å; T385-A389 PolarHBondContact O-N 3.33Å
386	Y	97.5	Very high	95.1	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-41.5	168.5	-74.1	-55.6	0	0	0	111.8	A370 C371 A382 I383 K388 A389 I390 N402 L403 A406	A370-Y386 HydrophobicContact CB-CD1 3.41Å; A370-Y386 VanDerWaalsContact CB-CD1 3.41Å; A370-Y386 HydrophobicContact CB-CD2 3.84Å; A370-Y386 HydrophobicContact CB-CE1 3.41Å; A370-Y386 VanDerWaalsContact CB-CE1 3.41Å; A370-Y386 HydrophobicContact CB-CE2 3.84Å; A370-Y386 HydrophobicContact CB-CG 3.6Å; C371-Y386 WeakPolarHBondContact CA-OH 3.32Å; C371-Y386 PolarHBondContact N-OH 2.91Å; C371-Y386 PolarHBondContact SG-OH 3.42Å; A382-Y386 HydrophobicContact CB-CD2 4.39Å; A382-Y386 HydrophobicContact CB-CE2 4.1Å; A382-Y386 WeakPolarHBondContact O-CD2 3.15Å; A382-Y386 PolarHBondContact O-N 3.3Å; I383-Y386 PolarHBondContact O-N 2.74Å; Y386-K388 PolarHBondContact O-N 3.36Å; Y386-A389 WeakPolarHBondContact O-CB 3.36Å; Y386-A389 PolarHBondContact O-N 3.2Å; Y386-A389 VanDerWaalsContact O-N 3.14Å; Y386-I390 WeakPolarHBondContact O-CG1 3.43Å; Y386-I390 PolarHBondContact O-N 3.09Å; Y386-N402 HydrophobicContact CD1-CB 4.29Å; Y386-N402 HydrophobicContact CE1-CB 3.58Å; Y386-N402 HydrophobicContact CE2-CB 4.12Å; Y386-N402 VanDerWaalsContact CZ-CB 3.5Å; Y386-L403 HydrophobicContact CD2-CB 4.4Å; Y386-L403 HydrophobicContact CG-CB 4.29Å; Y386-A406 HydrophobicContact CE2-CB 4.39Å
387	K	96.9	Very high	95.2	Very high	85 Å²	85	56 Å²	56	37%	0.37	30%	0.298	S	S	.	.	H	α-helix	trans	-57.8	-46.7	174.8	-75.4	173.5	179.3	177.4	0	111.4	I383 A389 I390 D391 L403	I383-K387 HydrophobicContact CG2-CD 4.25Å; I383-K387 WeakPolarHBondContact O-CG 3.31Å; I383-K387 PolarHBondContact O-N 2.82Å; K387-A389 VanDerWaalsContact C-N 3.32Å; K387-A389 PolarHBondContact O-N 2.84Å; K387-I390 CarbonylContact O-C 3.59Å; K387-I390 PolarHBondContact O-N 3.39Å; K387-I390 VanDerWaalsContact O-N 3.11Å; K387-D391 VanDerWaalsContact O-CG 3.22Å; K387-D391 PolarHBondContact O-N 2.84Å; K387-L403 HydrophobicContact CG-CD1 4.45Å; K387-L403 HydrophobicContact CG-CD2 4.15Å
388	K	95.6	Very high	95.3	Very high	108 Å²	108	57.5 Å²	57.5	47%	0.47	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-39.4	173.4	-69.1	168.6	-170.2	169.2	0	113.4	D384 T385 Y386 I390 D391 L392	D384-K388 WeakPolarHBondContact O-CG 3.35Å; D384-K388 PolarHBondContact O-N 3.28Å; T385-K388 PolarHBondContact O-N 3.45Å; Y386-K388 PolarHBondContact O-N 3.36Å; K388-I390 VanDerWaalsContact C-N 3.33Å; K388-D391 PolarHBondContact O-N 3.16Å; K388-L392 WeakPolarHBondContact O-CB 3.41Å; K388-L392 VanDerWaalsContact O-CG 3.27Å; K388-L392 WeakPolarHBondContact O-CG 3.27Å; K388-L392 PolarHBondContact O-N 2.69Å; K388-L392 VanDerWaalsContact O-N 3.1Å
389	A	95.8	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-40.7	175.5	0	0	0	0	0	112	A363 H366 T385 Y386 K387 Q393 F396	A363-A389 WeakPolarHBondContact O-CB 3.49Å; H366-A389 HydrophobicContact CB-CB 3.83Å; T385-A389 PolarHBondContact O-N 3.33Å; Y386-A389 WeakPolarHBondContact O-CB 3.36Å; Y386-A389 PolarHBondContact O-N 3.2Å; Y386-A389 VanDerWaalsContact O-N 3.14Å; K387-A389 VanDerWaalsContact C-N 3.32Å; K387-A389 PolarHBondContact O-N 2.84Å; A389-Q393 PolarHBondContact O-N 2.96Å; A389-F396 HydrophobicContact CB-CE1 4.42Å
390	I	96.2	Very high	95.5	Very high	14 Å²	14	53.6 Å²	53.6	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-71.1	-40.7	177.5	-69	163	0	0	0	111.6	Y386 K387 K388 L392 Q393 P394 A399 Y400 L403	Y386-I390 WeakPolarHBondContact O-CG1 3.43Å; Y386-I390 PolarHBondContact O-N 3.09Å; K387-I390 CarbonylContact O-C 3.59Å; K387-I390 PolarHBondContact O-N 3.39Å; K387-I390 VanDerWaalsContact O-N 3.11Å; K388-I390 VanDerWaalsContact C-N 3.33Å; I390-L392 VanDerWaalsContact C-N 3.27Å; I390-L392 PolarHBondContact O-N 2.88Å; I390-Q393 CarbonylContact O-C 3.57Å; I390-Q393 PolarHBondContact O-N 2.86Å; I390-P394 WeakPolarHBondContact O-CA 3.3Å; I390-P394 WeakPolarHBondContact O-CD 3.49Å; I390-A399 HydrophobicContact CD1-CB 4.28Å; I390-A399 HydrophobicContact CG1-CB 3.81Å; I390-Y400 HydrophobicContact CD1-CD1 3.96Å; I390-Y400 HydrophobicContact CD1-CD2 4.3Å; I390-Y400 HydrophobicContact CD1-CE1 4.09Å; I390-Y400 HydrophobicContact CD1-CE2 4.43Å; I390-Y400 HydrophobicContact CD1-CG 4.07Å; I390-Y400 HydrophobicContact CG1-CD2 4.3Å; I390-Y400 HydrophobicContact CG1-CE2 4.2Å; I390-Y400 HydrophobicContact CG2-CE1 3.95Å; I390-Y400 HydrophobicContact CG2-CE2 3.81Å; I390-Y400 VanDerWaalsContact CG2-OH 3.24Å; I390-Y400 WeakPolarHBondContact CG2-OH 3.48Å; I390-L403 HydrophobicContact CD1-CB 4.41Å; I390-L403 HydrophobicContact CD1-CD2 3.67Å
391	D	95.9	Very high	95.5	Very high	125 Å²	125	49.4 Å²	49.4	67%	0.668	25%	0.25	S	S	*	.	H	α-helix	trans	-62.3	-36.4	176.6	-67.3	-29.3	0	0	0	111.5	K387 K388	K387-D391 VanDerWaalsContact O-CG 3.22Å; K387-D391 PolarHBondContact O-N 2.84Å; K388-D391 PolarHBondContact O-N 3.16Å
392	L	94.8	Very high	95.5	Very high	68 Å²	68	47.9 Å²	47.9	36%	0.356	24%	0.243	S	C	.	.	H	α-helix	trans	-76.1	-33	174.6	-70.6	169.8	0	0	0	113.1	N361 A363 H366 K388 I390	N361-L392 HydrophobicContact CB-CD2 3.89Å; A363-L392 HydrophobicContact CB-CB 3.8Å; H366-L392 WeakPolarHBondContact CD2-CD1 3.32Å; K388-L392 WeakPolarHBondContact O-CB 3.41Å; K388-L392 VanDerWaalsContact O-CG 3.27Å; K388-L392 WeakPolarHBondContact O-CG 3.27Å; K388-L392 PolarHBondContact O-N 2.69Å; K388-L392 VanDerWaalsContact O-N 3.1Å; I390-L392 VanDerWaalsContact C-N 3.27Å; I390-L392 PolarHBondContact O-N 2.88Å
393	Q	94.5	Very high	95.5	Very high	79 Å²	79	48.1 Å²	48.1	37%	0.369	24%	0.244	S	C	.	.			trans	-141	90.5	178.2	-173.7	-178.6	-31.7	0	0	111.3	A363 A389 I390 H395 F396	A363-Q393 HydrophobicContact CB-CB 3.57Å; A389-Q393 PolarHBondContact O-N 2.96Å; I390-Q393 CarbonylContact O-C 3.57Å; I390-Q393 PolarHBondContact O-N 2.86Å; Q393-H395 PolarHBondContact NE2-O 3.43Å; Q393-H395 PolarHBondContact O-N 3.49Å; Q393-H395 VanDerWaalsContact O-N 3.13Å; Q393-F396 HydrophobicContact CG-CB 4.29Å; Q393-F396 WeakPolarHBondContact O-CB 3.34Å
394	P	93.6	Very high	95.5	Very high	83 Å²	83	47.9 Å²	47.9	54%	0.539	24%	0.243	S	C	.	.	S	Bend	trans	-65.4	-16.8	-177.9	-27	36.4	0	0	0	115.2	I390 Y400	I390-P394 WeakPolarHBondContact O-CA 3.3Å; I390-P394 WeakPolarHBondContact O-CD 3.49Å; P394-Y400 WeakPolarHBondContact O-CE2 3.29Å
395	H	94.2	Very high	95.4	Very high	121 Å²	121	45.4 Å²	45.4	56%	0.56	23%	0.229	S	C	*	.			trans	-101	74.4	173.1	-165.9	79.5	0	0	0	109.7	Q393	Q393-H395 PolarHBondContact NE2-O 3.43Å; Q393-H395 PolarHBondContact O-N 3.49Å; Q393-H395 VanDerWaalsContact O-N 3.13Å
396	F	93.2	Very high	95.3	Very high	31 Å²	31	45 Å²	45	14%	0.136	23%	0.227	C	C	.	.			trans	-142.4	77.8	-178.4	-164.8	177.3	0	0	0	110.9	V364 A389 Q393 D398 A399 Y400	V364-F396 HydrophobicContact CG2-CZ 4.49Å; A389-F396 HydrophobicContact CB-CE1 4.42Å; Q393-F396 HydrophobicContact CG-CB 4.29Å; Q393-F396 WeakPolarHBondContact O-CB 3.34Å; F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 HydrophobicContact CD2-CB 4.34Å; F396-D398 HydrophobicContact CE2-CB 4.11Å; F396-D398 PolarHBondContact O-N 3.11Å; F396-A399 HydrophobicContact CB-CB 4.13Å; F396-A399 HydrophobicContact CD1-CB 3.62Å; F396-A399 HydrophobicContact CD2-CB 4.05Å; F396-A399 HydrophobicContact CE1-CB 4Å; F396-A399 HydrophobicContact CE2-CB 4.39Å; F396-A399 HydrophobicContact CG-CB 3.64Å; F396-A399 HydrophobicContact CZ-CB 4.38Å; F396-A399 WeakPolarHBondContact O-CB 3.26Å; F396-A399 PolarHBondContact O-N 3.11Å; F396-A399 VanDerWaalsContact O-N 3.11Å; F396-Y400 WeakPolarHBondContact O-CD2 3.25Å; F396-Y400 PolarHBondContact O-N 2.87Å
397	P	93.8	Very high	95.2	Very high	19 Å²	19	45 Å²	45	12%	0.123	23%	0.227	C	C	.	.	H	α-helix	trans	-53.6	-44.6	-172.5	-25.5	33.3	0	0	0	114	A399 Y400 C401 L426 C427	P397-A399 VanDerWaalsContact C-N 3.27Å; P397-A399 PolarHBondContact O-N 2.99Å; P397-Y400 WeakPolarHBondContact O-CB 3.31Å; P397-Y400 PolarHBondContact O-N 3.26Å; P397-Y400 VanDerWaalsContact O-N 3.1Å; P397-C401 PolarHBondContact O-N 3.33Å; P397-L426 HydrophobicContact CG-CB 3.95Å; P397-C427 HydrophobicContact CB-CB 3.9Å; P397-C427 HydrophobicContact CG-CB 3.68Å
398	D	92.9	Very high	95	Very high	83 Å²	83	43.9 Å²	43.9	44%	0.444	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-37.1	-178.9	-48	3.8	0	0	0	111.8	F396 C401 N402 H430	F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 HydrophobicContact CD2-CB 4.34Å; F396-D398 HydrophobicContact CE2-CB 4.11Å; F396-D398 PolarHBondContact O-N 3.11Å; D398-C401 PolarHBondContact O-N 3.46Å; D398-N402 WeakPolarHBondContact O-CB 3.39Å; D398-N402 VanDerWaalsContact O-CG 3.27Å; D398-N402 PolarHBondContact O-N 3.47Å; D398-N402 PolarHBondContact O-ND2 2.78Å; D398-H430 IonicContact OD1-CD2 3.33Å; D398-H430 IonicContact OD1-NE2 3.7Å
399	A	94.8	Very high	94.7	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-38.1	177.2	0	0	0	0	0	111.6	I390 F396 P397 L403	I390-A399 HydrophobicContact CD1-CB 4.28Å; I390-A399 HydrophobicContact CG1-CB 3.81Å; F396-A399 HydrophobicContact CB-CB 4.13Å; F396-A399 HydrophobicContact CD1-CB 3.62Å; F396-A399 HydrophobicContact CD2-CB 4.05Å; F396-A399 HydrophobicContact CE1-CB 4Å; F396-A399 HydrophobicContact CE2-CB 4.39Å; F396-A399 HydrophobicContact CG-CB 3.64Å; F396-A399 HydrophobicContact CZ-CB 4.38Å; F396-A399 WeakPolarHBondContact O-CB 3.26Å; F396-A399 PolarHBondContact O-N 3.11Å; F396-A399 VanDerWaalsContact O-N 3.11Å; P397-A399 VanDerWaalsContact C-N 3.27Å; P397-A399 PolarHBondContact O-N 2.99Å; A399-L403 WeakPolarHBondContact O-CB 3.48Å; A399-L403 PolarHBondContact O-N 2.91Å
400	Y	97.1	Very high	94.5	Very high	28 Å²	28	50.4 Å²	50.4	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-41.9	171.3	-77.6	-81.5	0	0	0	112.1	I390 P394 F396 P397 A404 M419 K422 L426	I390-Y400 HydrophobicContact CD1-CD1 3.96Å; I390-Y400 HydrophobicContact CD1-CD2 4.3Å; I390-Y400 HydrophobicContact CD1-CE1 4.09Å; I390-Y400 HydrophobicContact CD1-CE2 4.43Å; I390-Y400 HydrophobicContact CD1-CG 4.07Å; I390-Y400 HydrophobicContact CG1-CD2 4.3Å; I390-Y400 HydrophobicContact CG1-CE2 4.2Å; I390-Y400 HydrophobicContact CG2-CE1 3.95Å; I390-Y400 HydrophobicContact CG2-CE2 3.81Å; I390-Y400 VanDerWaalsContact CG2-OH 3.24Å; I390-Y400 WeakPolarHBondContact CG2-OH 3.48Å; P394-Y400 WeakPolarHBondContact O-CE2 3.29Å; F396-Y400 WeakPolarHBondContact O-CD2 3.25Å; F396-Y400 PolarHBondContact O-N 2.87Å; P397-Y400 WeakPolarHBondContact O-CB 3.31Å; P397-Y400 PolarHBondContact O-N 3.26Å; P397-Y400 VanDerWaalsContact O-N 3.1Å; Y400-A404 WeakPolarHBondContact O-CB 3.24Å; Y400-A404 PolarHBondContact O-N 2.84Å; Y400-M419 HydrophobicContact CD1-SD 3.72Å; Y400-M419 HydrophobicContact CE1-SD 4.02Å; Y400-K422 HydrophobicContact CD1-CB 3.88Å; Y400-K422 HydrophobicContact CD1-CG 3.83Å; Y400-K422 HydrophobicContact CE1-CB 4.06Å; Y400-K422 HydrophobicContact CE1-CG 3.54Å; Y400-K422 HydrophobicContact CE2-CG 4.27Å; Y400-K422 HydrophobicContact CG-CB 4.37Å; Y400-K422 HydrophobicContact CG-CG 4.31Å; Y400-L426 HydrophobicContact CD2-CD1 3.55Å; Y400-L426 HydrophobicContact CE2-CD1 3.44Å; Y400-L426 VanDerWaalsContact CE2-CD1 3.44Å
401	C	95.9	Very high	94.1	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.027	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-41.4	177.3	-172.8	0	0	0	0	112.1	P397 D398 A404 N405 A423 S433	P397-C401 PolarHBondContact O-N 3.33Å; D398-C401 PolarHBondContact O-N 3.46Å; C401-A404 WeakPolarHBondContact O-CB 3.48Å; C401-A404 PolarHBondContact O-N 2.77Å; C401-N405 VanDerWaalsContact O-CG 3.25Å; C401-N405 PolarHBondContact O-N 2.8Å; C401-N405 PolarHBondContact O-OD1 3.09Å; C401-A423 HydrophobicContact CB-CB 4.32Å; C401-S433 WeakPolarHBondContact CB-OG 3.46Å; C401-S433 PolarHBondContact SG-OG 3.42Å
402	N	95.8	Very high	93.9	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-74.6	-34.8	178.6	-69.9	-38.2	0	0	0	112.7	Y386 D398 A404 N405 A406	Y386-N402 HydrophobicContact CD1-CB 4.29Å; Y386-N402 HydrophobicContact CE1-CB 3.58Å; Y386-N402 HydrophobicContact CE2-CB 4.12Å; Y386-N402 VanDerWaalsContact CZ-CB 3.5Å; D398-N402 WeakPolarHBondContact O-CB 3.39Å; D398-N402 VanDerWaalsContact O-CG 3.27Å; D398-N402 PolarHBondContact O-N 3.47Å; D398-N402 PolarHBondContact O-ND2 2.78Å; N402-A404 VanDerWaalsContact C-N 3.31Å; N402-A404 PolarHBondContact O-N 3.31Å; N402-N405 WeakPolarHBondContact O-CB 3.46Å; N402-N405 PolarHBondContact O-N 2.92Å; N402-N405 PolarHBondContact OD1-ND2 2.67Å; N402-A406 PolarHBondContact O-N 3.21Å
403	L	97.4	Very high	93.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-41.7	167.4	176.1	58.2	0	0	0	111.3	I383 Y386 K387 I390 A399 A406 L407 M419	I383-L403 HydrophobicContact CB-CD1 4.23Å; I383-L403 HydrophobicContact CG1-CD1 4.18Å; I383-L403 HydrophobicContact CG2-CD1 3.94Å; Y386-L403 HydrophobicContact CD2-CB 4.4Å; Y386-L403 HydrophobicContact CG-CB 4.29Å; K387-L403 HydrophobicContact CG-CD1 4.45Å; K387-L403 HydrophobicContact CG-CD2 4.15Å; I390-L403 HydrophobicContact CD1-CB 4.41Å; I390-L403 HydrophobicContact CD1-CD2 3.67Å; A399-L403 WeakPolarHBondContact O-CB 3.48Å; A399-L403 PolarHBondContact O-N 2.91Å; L403-A406 PolarHBondContact O-N 2.54Å; L403-L407 HydrophobicContact CD1-CD1 3.95Å; L403-L407 HydrophobicContact CD1-CG 4.08Å; L403-L407 HydrophobicContact CG-CD1 3.82Å; L403-L407 HydrophobicContact CG-CG 4.41Å; L403-L407 WeakPolarHBondContact O-CB 3.43Å; L403-L407 VanDerWaalsContact O-CG 3.28Å; L403-L407 WeakPolarHBondContact O-CG 3.3Å; L403-L407 PolarHBondContact O-N 2.83Å; L403-M419 HydrophobicContact CD2-CG 4.03Å; L403-M419 HydrophobicContact CD2-SD 3.81Å; L403-M419 HydrophobicContact CG-CG 4.15Å
404	A	96.3	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-41.6	175.7	0	0	0	0	0	112.3	Y400 C401 N402 L407 K408 A416 M419 Y420	Y400-A404 WeakPolarHBondContact O-CB 3.24Å; Y400-A404 PolarHBondContact O-N 2.84Å; C401-A404 WeakPolarHBondContact O-CB 3.48Å; C401-A404 PolarHBondContact O-N 2.77Å; N402-A404 VanDerWaalsContact C-N 3.31Å; N402-A404 PolarHBondContact O-N 3.31Å; A404-L407 PolarHBondContact O-N 3.11Å; A404-K408 WeakPolarHBondContact O-CB 3.32Å; A404-K408 PolarHBondContact O-N 3.24Å; A404-A416 HydrophobicContact CB-CB 4.47Å; A404-A416 WeakPolarHBondContact CB-O 3.43Å; A404-A416 VanDerWaalsContact O-CB 3.29Å; A404-A416 WeakPolarHBondContact O-CB 3.14Å; A404-M419 HydrophobicContact CB-CB 3.68Å; A404-Y420 HydrophobicContact CB-CD1 3.47Å; A404-Y420 VanDerWaalsContact CB-CD1 3.47Å; A404-Y420 HydrophobicContact CB-CD2 3.82Å; A404-Y420 HydrophobicContact CB-CE1 3.35Å; A404-Y420 HydrophobicContact CB-CE2 3.72Å; A404-Y420 HydrophobicContact CB-CG 3.69Å; A404-Y420 VanDerWaalsContact CB-CZ 3.47Å
405	N	94.5	Very high	93.6	Very high	34 Å²	34	48.4 Å²	48.4	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-48.9	172.8	-63.5	-19.9	0	0	0	111	C401 N402 L407 K408 E409 Y420 N436	C401-N405 VanDerWaalsContact O-CG 3.25Å; C401-N405 PolarHBondContact O-N 2.8Å; C401-N405 PolarHBondContact O-OD1 3.09Å; N402-N405 WeakPolarHBondContact O-CB 3.46Å; N402-N405 PolarHBondContact O-N 2.92Å; N402-N405 PolarHBondContact OD1-ND2 2.67Å; N405-L407 PolarHBondContact O-N 3.29Å; N405-K408 PolarHBondContact O-N 2.89Å; N405-E409 PolarHBondContact O-N 3.16Å; N405-Y420 PolarHBondContact N-OH 3.15Å; N405-Y420 WeakPolarHBondContact OD1-CE1 3.4Å; N405-Y420 PolarHBondContact OD1-OH 2.84Å; N405-N436 PolarHBondContact OD1-ND2 3.4Å
406	A	95.6	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-38.9	178.3	0	0	0	0	0	113.4	Y374 I379 I383 Y386 N402 L403 E409 K410	Y374-A406 HydrophobicContact CD2-CB 3.89Å; Y374-A406 HydrophobicContact CE2-CB 4.13Å; I379-A406 HydrophobicContact CG2-CB 4.4Å; I379-A406 WeakPolarHBondContact CG2-O 3.49Å; I383-A406 HydrophobicContact CD1-CB 4.42Å; I383-A406 HydrophobicContact CG1-CB 3.72Å; Y386-A406 HydrophobicContact CE2-CB 4.39Å; N402-A406 PolarHBondContact O-N 3.21Å; L403-A406 PolarHBondContact O-N 2.54Å; A406-E409 PolarHBondContact O-N 2.81Å; A406-K410 WeakPolarHBondContact O-CB 3.32Å; A406-K410 PolarHBondContact O-N 2.91Å
407	L	95.4	Very high	93.7	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-37	173.9	-72.3	164.7	0	0	0	112.2	I383 L403 A404 N405 K410 G411 S412 E415 A416 M419	I383-L407 HydrophobicContact CD1-CD2 4.04Å; I383-L407 HydrophobicContact CD1-CG 4.47Å; I383-L407 HydrophobicContact CG1-CD2 4.46Å; L403-L407 HydrophobicContact CD1-CD1 3.95Å; L403-L407 HydrophobicContact CD1-CG 4.08Å; L403-L407 HydrophobicContact CG-CD1 3.82Å; L403-L407 HydrophobicContact CG-CG 4.41Å; L403-L407 WeakPolarHBondContact O-CB 3.43Å; L403-L407 VanDerWaalsContact O-CG 3.28Å; L403-L407 WeakPolarHBondContact O-CG 3.3Å; L403-L407 PolarHBondContact O-N 2.83Å; A404-L407 PolarHBondContact O-N 3.11Å; N405-L407 PolarHBondContact O-N 3.29Å; L407-K410 PolarHBondContact O-N 2.88Å; L407-G411 PolarHBondContact O-N 3.06Å; L407-S412 WeakPolarHBondContact O-CA 3.44Å; L407-S412 PolarHBondContact O-N 2.98Å; L407-E415 HydrophobicContact CD1-CB 3.92Å; L407-E415 HydrophobicContact CD2-CB 4.27Å; L407-A416 HydrophobicContact CB-CB 3.92Å; L407-M419 HydrophobicContact CD1-CG 3.7Å
408	K	91.3	Very high	93.8	Very high	61 Å²	61	47 Å²	47	27%	0.265	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-44.2	174.8	-170.9	-179.4	-166.4	-75.2	0	110.8	A404 N405 K410 G411 A416 I440 E443	A404-K408 WeakPolarHBondContact O-CB 3.32Å; A404-K408 PolarHBondContact O-N 3.24Å; N405-K408 PolarHBondContact O-N 2.89Å; K408-K410 VanDerWaalsContact C-N 3.32Å; K408-K410 PolarHBondContact O-N 3.44Å; K408-G411 WeakPolarHBondContact O-CA 3.24Å; K408-G411 PolarHBondContact O-N 2.98Å; K408-A416 HydrophobicContact CB-CB 4.09Å; K408-I440 HydrophobicContact CD-CD1 4.36Å; K408-I440 HydrophobicContact CD-CG1 4.25Å; K408-E443 WeakPolarHBondContact CE-OE2 3.38Å; K408-E443 IonicContact NZ-OE1 2.65Å; K408-E443 PolarHBondContact NZ-OE1 2.88Å; K408-E443 IonicContact NZ-OE2 2.99Å; K408-E443 PolarHBondContact NZ-OE2 3.48Å; K408-E443 VanDerWaalsContact NZ-OE2 3.11Å
409	E	90.2	Very high	94	Very high	134 Å²	134	45 Å²	45	63%	0.626	24%	0.238	S	C	*	.	H	α-helix	trans	-64	-37.3	177.4	-162.3	62.4	-163.3	0	0	111.9	Y374 I379 N405 A406 G411	Y374-E409 HydrophobicContact CE2-CB 4.43Å; I379-E409 HydrophobicContact CD1-CG 4.19Å; I379-E409 HydrophobicContact CG1-CG 4.48Å; N405-E409 PolarHBondContact O-N 3.16Å; A406-E409 PolarHBondContact O-N 2.81Å; E409-G411 PolarHBondContact O-N 3.46Å
410	K	91.7	Very high	94	Very high	111 Å²	111	44.9 Å²	44.9	48%	0.483	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10	170.9	-173.2	167.1	176.5	173.4	0	114.1	I379 D380 I383 A406 L407 K408	I379-K410 HydrophobicContact CG2-CB 4.08Å; D380-K410 WeakPolarHBondContact OD1-CE 3.49Å; D380-K410 IonicContact OD1-NZ 3.84Å; D380-K410 PolarHBondContact OD1-NZ 2.95Å; I383-K410 HydrophobicContact CD1-CB 4.2Å; I383-K410 HydrophobicContact CD1-CD 3.52Å; I383-K410 HydrophobicContact CD1-CG 4.49Å; A406-K410 WeakPolarHBondContact O-CB 3.32Å; A406-K410 PolarHBondContact O-N 2.91Å; L407-K410 PolarHBondContact O-N 2.88Å; K408-K410 VanDerWaalsContact C-N 3.32Å; K408-K410 PolarHBondContact O-N 3.44Å
411	G	88	Confident	94	Very high	52 Å²	52	47.7 Å²	47.7	54%	0.536	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	3.2	-176.5	0	0	0	0	0	115.1	L407 K408 E409 V413	L407-G411 PolarHBondContact O-N 3.06Å; K408-G411 WeakPolarHBondContact O-CA 3.24Å; K408-G411 PolarHBondContact O-N 2.98Å; E409-G411 PolarHBondContact O-N 3.46Å; G411-V413 PolarHBondContact O-N 3.09Å
412	S	91.8	Very high	94	Very high	31 Å²	31	50.4 Å²	50.4	22%	0.217	26%	0.264	C	S	.	.			trans	-78.7	56.3	175.9	-67.1	0	0	0	0	111.8	L407 V414 E415 A416	L407-S412 WeakPolarHBondContact O-CA 3.44Å; L407-S412 PolarHBondContact O-N 2.98Å; S412-V414 VanDerWaalsContact C-N 3.27Å; S412-V414 PolarHBondContact O-N 2.96Å; S412-V414 VanDerWaalsContact O-N 3.16Å; S412-E415 PolarHBondContact O-N 3.02Å; S412-E415 VanDerWaalsContact O-N 3.1Å; S412-A416 PolarHBondContact O-N 2.77Å
413	V	89.6	Confident	94	Very high	50 Å²	50	48 Å²	48	30%	0.303	25%	0.251	S	S	.	.	H	α-helix	trans	-57.2	-34.8	-170.6	-178.1	0	0	0	0	113.3	G411 A416 E417 I440	G411-V413 PolarHBondContact O-N 3.09Å; V413-A416 PolarHBondContact O-N 2.9Å; V413-E417 PolarHBondContact O-N 2.92Å; V413-I440 HydrophobicContact CG1-CD1 4.14Å; V413-I440 HydrophobicContact CG1-CG1 4.34Å; V413-I440 HydrophobicContact CG1-CG2 3.94Å
414	V	91.9	Very high	93.9	Very high	105 Å²	105	48.9 Å²	48.9	64%	0.636	26%	0.256	S	S	*	.	H	α-helix	trans	-68.6	-41.6	179	179.8	0	0	0	0	111.6	S412 E417 Q418	S412-V414 VanDerWaalsContact C-N 3.27Å; S412-V414 PolarHBondContact O-N 2.96Å; S412-V414 VanDerWaalsContact O-N 3.16Å; V414-E417 PolarHBondContact O-N 2.91Å; V414-Q418 WeakPolarHBondContact O-CG 3.33Å; V414-Q418 PolarHBondContact O-N 2.99Å
415	E	94.2	Very high	93.8	Very high	88 Å²	88	55 Å²	55	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-69.5	-40	175.3	-64.7	176.4	-122.8	0	0	110.6	L407 S412 E417 Q418 M419	L407-E415 HydrophobicContact CD1-CB 3.92Å; L407-E415 HydrophobicContact CD2-CB 4.27Å; S412-E415 PolarHBondContact O-N 3.02Å; S412-E415 VanDerWaalsContact O-N 3.1Å; E415-E417 VanDerWaalsContact C-N 3.32Å; E415-E417 PolarHBondContact O-N 3.42Å; E415-Q418 WeakPolarHBondContact O-CB 3.5Å; E415-Q418 PolarHBondContact O-N 2.96Å; E415-M419 WeakPolarHBondContact O-CG 3.3Å; E415-M419 PolarHBondContact O-N 3.4Å
416	A	94.9	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-44	173.5	0	0	0	0	0	112	A404 L407 K408 S412 V413 Q418 M419 Y420 I440	A404-A416 HydrophobicContact CB-CB 4.47Å; A404-A416 WeakPolarHBondContact CB-O 3.43Å; A404-A416 VanDerWaalsContact O-CB 3.29Å; A404-A416 WeakPolarHBondContact O-CB 3.14Å; L407-A416 HydrophobicContact CB-CB 3.92Å; K408-A416 HydrophobicContact CB-CB 4.09Å; S412-A416 PolarHBondContact O-N 2.77Å; V413-A416 PolarHBondContact O-N 2.9Å; A416-Q418 PolarHBondContact O-N 3.49Å; A416-M419 PolarHBondContact O-N 3.14Å; A416-Y420 HydrophobicContact CB-CE2 4.39Å; A416-Y420 WeakPolarHBondContact O-CD2 3.49Å; A416-Y420 PolarHBondContact O-N 3.45Å; A416-I440 HydrophobicContact CB-CD1 4.18Å
417	E	94.6	Very high	93.8	Very high	32 Å²	32	57 Å²	57	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-45.4	175.7	-164.6	-176.5	138.4	0	0	111.8	V413 V414 E415 M419 Y420 M421 L437 K441 Q444	V413-E417 PolarHBondContact O-N 2.92Å; V414-E417 PolarHBondContact O-N 2.91Å; E415-E417 VanDerWaalsContact C-N 3.32Å; E415-E417 PolarHBondContact O-N 3.42Å; E417-M419 PolarHBondContact O-N 3.45Å; E417-Y420 PolarHBondContact O-N 2.93Å; E417-M421 HydrophobicContact CG-CE 4.01Å; E417-M421 WeakPolarHBondContact O-CG 3.42Å; E417-M421 PolarHBondContact O-N 2.83Å; E417-M421 WeakPolarHBondContact OE1-CE 3.14Å; E417-L437 HydrophobicContact CG-CD1 3.55Å; E417-K441 IonicContact OE1-NZ 2.68Å; E417-K441 PolarHBondContact OE1-NZ 3.42Å; E417-K441 IonicContact OE2-NZ 3.52Å; E417-K441 PolarHBondContact OE2-NZ 2.88Å; E417-Q444 PolarHBondContact OE2-NE2 3.39Å
418	Q	95.9	Very high	93.6	Very high	110 Å²	110	60.7 Å²	60.7	51%	0.514	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-40.4	176.7	-68.4	172.2	7.9	0	0	112.2	V414 E415 A416 M421 K422	V414-Q418 WeakPolarHBondContact O-CG 3.33Å; V414-Q418 PolarHBondContact O-N 2.99Å; E415-Q418 WeakPolarHBondContact O-CB 3.5Å; E415-Q418 PolarHBondContact O-N 2.96Å; A416-Q418 PolarHBondContact O-N 3.49Å; Q418-M421 PolarHBondContact O-N 2.85Å; Q418-K422 PolarHBondContact O-N 2.68Å
419	M	96.7	Very high	93.7	Very high	40 Å²	40	62.3 Å²	62.3	20%	0.197	34%	0.337	C	S	.	.	H	α-helix	trans	-70.7	-38.7	179.8	-65.8	-55.3	97.6	0	0	112.1	Y400 L403 A404 L407 E415 A416 E417 K422 A423	Y400-M419 HydrophobicContact CD1-SD 3.72Å; Y400-M419 HydrophobicContact CE1-SD 4.02Å; L403-M419 HydrophobicContact CD2-CG 4.03Å; L403-M419 HydrophobicContact CD2-SD 3.81Å; L403-M419 HydrophobicContact CG-CG 4.15Å; A404-M419 HydrophobicContact CB-CB 3.68Å; L407-M419 HydrophobicContact CD1-CG 3.7Å; E415-M419 WeakPolarHBondContact O-CG 3.3Å; E415-M419 PolarHBondContact O-N 3.4Å; A416-M419 PolarHBondContact O-N 3.14Å; E417-M419 PolarHBondContact O-N 3.45Å; M419-K422 PolarHBondContact O-N 3.09Å; M419-A423 PolarHBondContact O-N 3.33Å
420	Y	96.2	Very high	93.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-42.4	169.6	-67.6	-55.8	0	0	0	111.8	A404 N405 A416 E417 K422 A423 L424 N436 I440	A404-Y420 HydrophobicContact CB-CD1 3.47Å; A404-Y420 VanDerWaalsContact CB-CD1 3.47Å; A404-Y420 HydrophobicContact CB-CD2 3.82Å; A404-Y420 HydrophobicContact CB-CE1 3.35Å; A404-Y420 HydrophobicContact CB-CE2 3.72Å; A404-Y420 HydrophobicContact CB-CG 3.69Å; A404-Y420 VanDerWaalsContact CB-CZ 3.47Å; N405-Y420 PolarHBondContact N-OH 3.15Å; N405-Y420 WeakPolarHBondContact OD1-CE1 3.4Å; N405-Y420 PolarHBondContact OD1-OH 2.84Å; A416-Y420 HydrophobicContact CB-CE2 4.39Å; A416-Y420 WeakPolarHBondContact O-CD2 3.49Å; A416-Y420 PolarHBondContact O-N 3.45Å; E417-Y420 PolarHBondContact O-N 2.93Å; Y420-K422 VanDerWaalsContact C-N 3.26Å; Y420-K422 PolarHBondContact O-N 2.91Å; Y420-A423 PolarHBondContact O-N 3.1Å; Y420-L424 WeakPolarHBondContact O-CG 3.28Å; Y420-L424 PolarHBondContact O-N 3.34Å; Y420-N436 HydrophobicContact CD1-CB 4.23Å; Y420-N436 HydrophobicContact CE1-CB 3.53Å; Y420-N436 HydrophobicContact CE2-CB 4.1Å; Y420-N436 VanDerWaalsContact CZ-CB 3.47Å; Y420-I440 HydrophobicContact CD2-CD1 3.95Å; Y420-I440 HydrophobicContact CE2-CD1 3.64Å
421	M	95.8	Very high	93.9	Very high	86 Å²	86	52.5 Å²	52.5	42%	0.424	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-38.3	174.6	-74.8	-177.8	-179.1	0	0	111.6	E417 Q418 L424 E425 L437	E417-M421 HydrophobicContact CG-CE 4.01Å; E417-M421 WeakPolarHBondContact O-CG 3.42Å; E417-M421 PolarHBondContact O-N 2.83Å; E417-M421 WeakPolarHBondContact OE1-CE 3.14Å; Q418-M421 PolarHBondContact O-N 2.85Å; M421-L424 PolarHBondContact O-N 3.42Å; M421-E425 WeakPolarHBondContact O-CB 3.5Å; M421-E425 PolarHBondContact O-N 3.06Å; M421-L437 HydrophobicContact CG-CD2 4.32Å
422	K	96.1	Very high	94.1	Very high	62 Å²	62	53.7 Å²	53.7	27%	0.27	29%	0.288	S	S	.	.	H	α-helix	trans	-69.9	-39.3	176.9	-164.9	56.3	171.8	-179.5	0	112.7	Y400 Q418 M419 Y420 L424 E425 L426	Y400-K422 HydrophobicContact CD1-CB 3.88Å; Y400-K422 HydrophobicContact CD1-CG 3.83Å; Y400-K422 HydrophobicContact CE1-CB 4.06Å; Y400-K422 HydrophobicContact CE1-CG 3.54Å; Y400-K422 HydrophobicContact CE2-CG 4.27Å; Y400-K422 HydrophobicContact CG-CB 4.37Å; Y400-K422 HydrophobicContact CG-CG 4.31Å; Q418-K422 PolarHBondContact O-N 2.68Å; M419-K422 PolarHBondContact O-N 3.09Å; Y420-K422 VanDerWaalsContact C-N 3.26Å; Y420-K422 PolarHBondContact O-N 2.91Å; K422-L424 VanDerWaalsContact C-N 3.29Å; K422-L424 PolarHBondContact O-N 2.88Å; K422-E425 HydrophobicContact CD-CB 4.38Å; K422-E425 WeakPolarHBondContact CD-OE2 3.37Å; K422-E425 IonicContact NZ-OE1 2.88Å; K422-E425 PolarHBondContact NZ-OE1 2.7Å; K422-E425 IonicContact NZ-OE2 3.99Å; K422-E425 PolarHBondContact NZ-OE2 3.48Å; K422-E425 PolarHBondContact O-N 3.4Å; K422-L426 HydrophobicContact CG-CD1 4.46Å; K422-L426 VanDerWaalsContact O-CG 3.3Å; K422-L426 WeakPolarHBondContact O-CG 3.19Å; K422-L426 PolarHBondContact O-N 2.93Å; K422-L426 VanDerWaalsContact O-N 3.08Å
423	A	95.8	Very high	94.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-42.7	171.2	0	0	0	0	0	111.6	C401 M419 Y420 L426 C427 S433	C401-A423 HydrophobicContact CB-CB 4.32Å; M419-A423 PolarHBondContact O-N 3.33Å; Y420-A423 PolarHBondContact O-N 3.1Å; A423-L426 PolarHBondContact O-N 3.26Å; A423-C427 PolarHBondContact O-N 2.88Å; A423-S433 WeakPolarHBondContact CB-OG 3.47Å
424	L	94.7	Very high	94.5	Very high	22 Å²	22	50.5 Å²	50.5	12%	0.115	27%	0.267	C	S	.	.	H	α-helix	trans	-73.8	-26.1	177.8	-66.3	178.3	0	0	0	114.4	Y420 M421 K422 C427 P428 H430 Q434 L437	Y420-L424 WeakPolarHBondContact O-CG 3.28Å; Y420-L424 PolarHBondContact O-N 3.34Å; M421-L424 PolarHBondContact O-N 3.42Å; K422-L424 VanDerWaalsContact C-N 3.29Å; K422-L424 PolarHBondContact O-N 2.88Å; L424-C427 CarbonylContact O-C 3.47Å; L424-P428 VanDerWaalsContact O-CA 3.27Å; L424-P428 WeakPolarHBondContact O-CA 3.48Å; L424-H430 HydrophobicContact CD2-CB 4.27Å; L424-Q434 HydrophobicContact CD1-CG 4.49Å; L424-Q434 HydrophobicContact CD2-CG 3.81Å; L424-L437 HydrophobicContact CD1-CD2 3.87Å
425	E	95.5	Very high	94.6	Very high	130 Å²	130	45.8 Å²	45.8	61%	0.607	24%	0.238	S	C	*	.	H	α-helix	trans	-68.4	-40.8	170.6	-168.8	-161.6	131.4	0	0	110.8	M421 K422	M421-E425 WeakPolarHBondContact O-CB 3.5Å; M421-E425 PolarHBondContact O-N 3.06Å; K422-E425 HydrophobicContact CD-CB 4.38Å; K422-E425 WeakPolarHBondContact CD-OE2 3.37Å; K422-E425 IonicContact NZ-OE1 2.88Å; K422-E425 PolarHBondContact NZ-OE1 2.7Å; K422-E425 IonicContact NZ-OE2 3.99Å; K422-E425 PolarHBondContact NZ-OE2 3.48Å; K422-E425 PolarHBondContact O-N 3.4Å
426	L	94.7	Very high	94.6	Very high	39 Å²	39	43 Å²	43	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-76.6	-36.4	178.8	-62.3	169.4	0	0	0	112.5	P397 Y400 K422 A423	P397-L426 HydrophobicContact CG-CB 3.95Å; Y400-L426 HydrophobicContact CD2-CD1 3.55Å; Y400-L426 HydrophobicContact CE2-CD1 3.44Å; Y400-L426 VanDerWaalsContact CE2-CD1 3.44Å; K422-L426 HydrophobicContact CG-CD1 4.46Å; K422-L426 VanDerWaalsContact O-CG 3.3Å; K422-L426 WeakPolarHBondContact O-CG 3.19Å; K422-L426 PolarHBondContact O-N 2.93Å; K422-L426 VanDerWaalsContact O-N 3.08Å; A423-L426 PolarHBondContact O-N 3.26Å
427	C	93.8	Very high	94.6	Very high	35 Å²	35	43.4 Å²	43.4	24%	0.236	23%	0.228	C	C	.	.			trans	-141.9	91.8	178.5	-175.4	0	0	0	0	110.6	P397 A423 L424 T429 H430	P397-C427 HydrophobicContact CB-CB 3.9Å; P397-C427 HydrophobicContact CG-CB 3.68Å; A423-C427 PolarHBondContact O-N 2.88Å; L424-C427 CarbonylContact O-C 3.47Å; C427-T429 PolarHBondContact O-N 3.14Å; C427-T429 VanDerWaalsContact O-N 3.09Å; C427-T429 PolarHBondContact SG-OG1 3.01Å; C427-T429 VanDerWaalsContact SG-OG1 3.39Å; C427-H430 HydrophobicContact CB-CB 4.12Å; C427-H430 VanDerWaalsContact O-CB 3.27Å; C427-H430 WeakPolarHBondContact O-CB 3.49Å; C427-H430 PolarHBondContact O-N 2.64Å
428	P	92.7	Very high	94.6	Very high	85 Å²	85	41.9 Å²	41.9	55%	0.552	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.2	179.9	-27.7	36	0	0	0	114.4	L424 H430 Q434	L424-P428 VanDerWaalsContact O-CA 3.27Å; L424-P428 WeakPolarHBondContact O-CA 3.48Å; P428-H430 VanDerWaalsContact C-N 3.33Å; P428-Q434 PolarHBondContact O-NE2 3.47Å; P428-Q434 VanDerWaalsContact O-NE2 3.07Å
429	T	93.4	Very high	94.4	Very high	95 Å²	95	37.7 Å²	37.7	58%	0.583	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	14.2	177.3	52.4	0	0	0	0	113.7	C427 A431 I460	C427-T429 PolarHBondContact O-N 3.14Å; C427-T429 VanDerWaalsContact O-N 3.09Å; C427-T429 PolarHBondContact SG-OG1 3.01Å; C427-T429 VanDerWaalsContact SG-OG1 3.39Å; T429-A431 PolarHBondContact O-N 3.46Å; T429-A431 VanDerWaalsContact O-N 3.1Å; T429-I460 WeakPolarHBondContact O-CG2 3.46Å
430	H	92.6	Very high	94.1	Very high	28 Å²	28	35.8 Å²	35.8	13%	0.13	19%	0.193	C	C	.	.			trans	-80.8	88.9	178	-167.1	-85.5	0	0	0	111.4	D398 L424 C427 P428 D432 S433 Q434	D398-H430 IonicContact OD1-CD2 3.33Å; D398-H430 IonicContact OD1-NE2 3.7Å; L424-H430 HydrophobicContact CD2-CB 4.27Å; C427-H430 HydrophobicContact CB-CB 4.12Å; C427-H430 VanDerWaalsContact O-CB 3.27Å; C427-H430 WeakPolarHBondContact O-CB 3.49Å; C427-H430 PolarHBondContact O-N 2.64Å; P428-H430 VanDerWaalsContact C-N 3.33Å; H430-D432 PolarHBondContact O-N 3.36Å; H430-S433 PolarHBondContact CE1-OG 2.93Å; H430-S433 WeakPolarHBondContact ND1-CB 3.21Å; H430-S433 PolarHBondContact ND1-N 2.81Å; H430-S433 PolarHBondContact ND1-OG 3.26Å; H430-S433 PolarHBondContact O-N 3.29Å; H430-S433 VanDerWaalsContact O-N 3.11Å; H430-Q434 PolarHBondContact O-N 3.33Å
431	A	93	Very high	93.8	Very high	11 Å²	11	36.4 Å²	36.4	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-55.8	-42.8	-170.3	0	0	0	0	0	114.1	T429 S433 Q434 N435 I460 F464	T429-A431 PolarHBondContact O-N 3.46Å; T429-A431 VanDerWaalsContact O-N 3.1Å; A431-S433 VanDerWaalsContact C-N 3.29Å; A431-S433 PolarHBondContact O-N 3.48Å; A431-Q434 WeakPolarHBondContact O-CB 3.44Å; A431-Q434 PolarHBondContact O-N 2.96Å; A431-Q434 VanDerWaalsContact O-N 3.12Å; A431-N435 PolarHBondContact O-N 2.87Å; A431-I460 HydrophobicContact CB-CB 4.41Å; A431-I460 HydrophobicContact CB-CG2 4.01Å; A431-F464 HydrophobicContact CB-CD1 4.3Å; A431-F464 HydrophobicContact CB-CE1 4.3Å
432	D	92.7	Very high	93.3	Very high	76 Å²	76	35.2 Å²	35.2	41%	0.406	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-36.8	178.3	-67.4	-84.6	0	0	0	112.9	H430 N435 N436 F464	H430-D432 PolarHBondContact O-N 3.36Å; D432-N435 PolarHBondContact O-N 2.82Å; D432-N436 VanDerWaalsContact O-CB 3.26Å; D432-N436 WeakPolarHBondContact O-CB 3.46Å; D432-N436 PolarHBondContact O-N 3.04Å; D432-N436 PolarHBondContact O-ND2 3.36Å; D432-F464 WeakPolarHBondContact OD1-CZ 3.41Å
433	S	94.4	Very high	92.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-72	-33.9	175.9	-62.7	0	0	0	0	112.1	C401 A423 H430 A431 L437	C401-S433 WeakPolarHBondContact CB-OG 3.46Å; C401-S433 PolarHBondContact SG-OG 3.42Å; A423-S433 WeakPolarHBondContact CB-OG 3.47Å; H430-S433 PolarHBondContact CE1-OG 2.93Å; H430-S433 WeakPolarHBondContact ND1-CB 3.21Å; H430-S433 PolarHBondContact ND1-N 2.81Å; H430-S433 PolarHBondContact ND1-OG 3.26Å; H430-S433 PolarHBondContact O-N 3.29Å; H430-S433 VanDerWaalsContact O-N 3.11Å; A431-S433 VanDerWaalsContact C-N 3.29Å; A431-S433 PolarHBondContact O-N 3.48Å; S433-L437 WeakPolarHBondContact O-CB 3.39Å; S433-L437 PolarHBondContact O-N 2.81Å
434	Q	95.2	Very high	92	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-50.3	171.7	-60.1	-70.7	-2.3	0	0	110.2	L424 P428 H430 A431 A438 A457 I460	L424-Q434 HydrophobicContact CD1-CG 4.49Å; L424-Q434 HydrophobicContact CD2-CG 3.81Å; P428-Q434 PolarHBondContact O-NE2 3.47Å; P428-Q434 VanDerWaalsContact O-NE2 3.07Å; H430-Q434 PolarHBondContact O-N 3.33Å; A431-Q434 WeakPolarHBondContact O-CB 3.44Å; A431-Q434 PolarHBondContact O-N 2.96Å; A431-Q434 VanDerWaalsContact O-N 3.12Å; Q434-A438 WeakPolarHBondContact O-CB 3.27Å; Q434-A438 PolarHBondContact O-N 2.78Å; Q434-A457 HydrophobicContact CB-CB 3.86Å; Q434-I460 HydrophobicContact CG-CD1 4.13Å
435	N	94	Very high	91.2	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-42.9	179.2	173.8	79.1	0	0	0	112.9	A431 D432 A438 N439 Y454 A457 F464 A467	A431-N435 PolarHBondContact O-N 2.87Å; D432-N435 PolarHBondContact O-N 2.82Å; N435-A438 WeakPolarHBondContact O-CB 3.47Å; N435-A438 PolarHBondContact O-N 3.01Å; N435-N439 PolarHBondContact ND2-ND2 3.26Å; N435-N439 PolarHBondContact O-N 3.15Å; N435-N439 PolarHBondContact O-ND2 3.17Å; N435-Y454 WeakPolarHBondContact OD1-CE1 3.31Å; N435-A457 HydrophobicContact CB-CB 4.25Å; N435-F464 HydrophobicContact CB-CD1 4.37Å; N435-F464 HydrophobicContact CB-CE1 3.56Å; N435-F464 HydrophobicContact CB-CZ 3.91Å; N435-A467 WeakPolarHBondContact OD1-CA 3.45Å
436	N	94	Very high	90.6	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	23%	0.225	C	C	.	.	H	α-helix	trans	-75.4	-33.6	-177.8	-66.1	-12.4	0	0	0	112.3	N405 Y420 D432 A438 N439 I440	N405-N436 PolarHBondContact OD1-ND2 3.4Å; Y420-N436 HydrophobicContact CD1-CB 4.23Å; Y420-N436 HydrophobicContact CE1-CB 3.53Å; Y420-N436 HydrophobicContact CE2-CB 4.1Å; Y420-N436 VanDerWaalsContact CZ-CB 3.47Å; D432-N436 VanDerWaalsContact O-CB 3.26Å; D432-N436 WeakPolarHBondContact O-CB 3.46Å; D432-N436 PolarHBondContact O-N 3.04Å; D432-N436 PolarHBondContact O-ND2 3.36Å; N436-A438 VanDerWaalsContact C-N 3.35Å; N436-N439 WeakPolarHBondContact O-CB 3.36Å; N436-N439 PolarHBondContact O-N 2.88Å; N436-I440 PolarHBondContact O-N 2.99Å
437	L	95.2	Very high	90	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-39.3	167.7	-174.7	60.6	0	0	0	111.2	E417 M421 L424 S433 N439 I440 K441 L453	E417-L437 HydrophobicContact CG-CD1 3.55Å; M421-L437 HydrophobicContact CG-CD2 4.32Å; L424-L437 HydrophobicContact CD1-CD2 3.87Å; S433-L437 WeakPolarHBondContact O-CB 3.39Å; S433-L437 PolarHBondContact O-N 2.81Å; L437-N439 VanDerWaalsContact C-N 3.33Å; L437-N439 PolarHBondContact O-N 3.36Å; L437-I440 PolarHBondContact O-N 3.35Å; L437-K441 WeakPolarHBondContact O-CG 3.44Å; L437-K441 PolarHBondContact O-N 3.5Å; L437-L453 HydrophobicContact CB-CD1 4.27Å; L437-L453 HydrophobicContact CD2-CD1 4.07Å; L437-L453 HydrophobicContact CD2-CD2 4.17Å; L437-L453 HydrophobicContact CG-CD1 3.78Å
438	A	93.7	Very high	89.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-41.9	174.1	0	0	0	0	0	112	Q434 N435 N436 I440 K441 R442 A450 L453 Y454	Q434-A438 WeakPolarHBondContact O-CB 3.27Å; Q434-A438 PolarHBondContact O-N 2.78Å; N435-A438 WeakPolarHBondContact O-CB 3.47Å; N435-A438 PolarHBondContact O-N 3.01Å; N436-A438 VanDerWaalsContact C-N 3.35Å; A438-I440 VanDerWaalsContact C-N 3.35Å; A438-I440 PolarHBondContact O-N 3.04Å; A438-K441 PolarHBondContact O-N 3.05Å; A438-R442 WeakPolarHBondContact O-CB 3.41Å; A438-R442 PolarHBondContact O-N 3.37Å; A438-A450 WeakPolarHBondContact O-CB 3.42Å; A438-L453 HydrophobicContact CB-CB 3.54Å; A438-L453 HydrophobicContact CB-CD1 4.4Å; A438-Y454 HydrophobicContact CB-CD1 3.53Å; A438-Y454 HydrophobicContact CB-CD2 3.88Å; A438-Y454 HydrophobicContact CB-CE1 3.4Å; A438-Y454 HydrophobicContact CB-CE2 3.75Å; A438-Y454 HydrophobicContact CB-CG 3.76Å
439	N	92	Very high	89.4	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-45.6	173.6	-69.1	-36.4	0	0	0	111.7	N435 N436 L437 R442 E443 Y454 N470	N435-N439 PolarHBondContact ND2-ND2 3.26Å; N435-N439 PolarHBondContact O-N 3.15Å; N435-N439 PolarHBondContact O-ND2 3.17Å; N436-N439 WeakPolarHBondContact O-CB 3.36Å; N436-N439 PolarHBondContact O-N 2.88Å; L437-N439 VanDerWaalsContact C-N 3.33Å; L437-N439 PolarHBondContact O-N 3.36Å; N439-R442 PolarHBondContact O-N 2.86Å; N439-R442 PolarHBondContact OD1-NH2 2.99Å; N439-E443 WeakPolarHBondContact O-CB 3.49Å; N439-E443 WeakPolarHBondContact O-CG 3.32Å; N439-E443 PolarHBondContact O-N 2.86Å; N439-Y454 WeakPolarHBondContact CA-OH 3.4Å; N439-Y454 PolarHBondContact N-OH 3.34Å; N439-Y454 PolarHBondContact OD1-OH 3.45Å; N439-N470 PolarHBondContact OD1-ND2 2.86Å
440	I	91.3	Very high	89.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-43.9	174.4	-71.2	-178.7	0	0	0	111.4	K408 V413 A416 Y420 N436 L437 A438 R442 E443 Q444	K408-I440 HydrophobicContact CD-CD1 4.36Å; K408-I440 HydrophobicContact CD-CG1 4.25Å; V413-I440 HydrophobicContact CG1-CD1 4.14Å; V413-I440 HydrophobicContact CG1-CG1 4.34Å; V413-I440 HydrophobicContact CG1-CG2 3.94Å; A416-I440 HydrophobicContact CB-CD1 4.18Å; Y420-I440 HydrophobicContact CD2-CD1 3.95Å; Y420-I440 HydrophobicContact CE2-CD1 3.64Å; N436-I440 PolarHBondContact O-N 2.99Å; L437-I440 PolarHBondContact O-N 3.35Å; A438-I440 VanDerWaalsContact C-N 3.35Å; A438-I440 PolarHBondContact O-N 3.04Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.24Å; I440-E443 PolarHBondContact O-N 2.67Å; I440-Q444 HydrophobicContact CG2-CG 4.35Å; I440-Q444 WeakPolarHBondContact O-CB 3.43Å; I440-Q444 VanDerWaalsContact O-CG 3.32Å; I440-Q444 WeakPolarHBondContact O-CG 3.35Å; I440-Q444 PolarHBondContact O-N 2.62Å
441	K	89.1	Confident	89.2	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.065	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-37.7	177.9	-65.5	-63.1	170.3	-167.9	0	112.3	E417 L437 A438 Q444 G445 K446 D449 A450 L453	E417-K441 IonicContact OE1-NZ 2.68Å; E417-K441 PolarHBondContact OE1-NZ 3.42Å; E417-K441 IonicContact OE2-NZ 3.52Å; E417-K441 PolarHBondContact OE2-NZ 2.88Å; L437-K441 WeakPolarHBondContact O-CG 3.44Å; L437-K441 PolarHBondContact O-N 3.5Å; A438-K441 PolarHBondContact O-N 3.05Å; K441-Q444 CarbonylContact O-C 3.16Å; K441-Q444 PolarHBondContact O-N 2.83Å; K441-G445 PolarHBondContact O-N 3.4Å; K441-K446 HydrophobicContact CB-CB 4.34Å; K441-K446 HydrophobicContact CD-CB 4.47Å; K441-K446 HydrophobicContact CD-CD 4Å; K441-K446 PolarHBondContact O-N 2.64Å; K441-D449 HydrophobicContact CB-CB 4.1Å; K441-D449 HydrophobicContact CD-CB 4.2Å; K441-D449 HydrophobicContact CG-CB 4.04Å; K441-A450 HydrophobicContact CB-CB 3.94Å; K441-L453 HydrophobicContact CB-CD1 4.48Å; K441-L453 HydrophobicContact CG-CD1 3.74Å
442	R	85.8	Confident	89.3	Confident	61 Å²	61	45.4 Å²	45.4	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-46.1	173.2	-173.5	-179.1	66	-175.1	-5.2	111.3	A438 N439 I440 Q444 G445 A450 N470 I474	A438-R442 WeakPolarHBondContact O-CB 3.41Å; A438-R442 PolarHBondContact O-N 3.37Å; N439-R442 PolarHBondContact O-N 2.86Å; N439-R442 PolarHBondContact OD1-NH2 2.99Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.24Å; R442-Q444 VanDerWaalsContact C-N 3.27Å; R442-Q444 PolarHBondContact O-N 2.95Å; R442-G445 PolarHBondContact O-N 3.41Å; R442-A450 HydrophobicContact CB-CB 3.92Å; R442-N470 PolarHBondContact NH1-OD1 2.89Å; R442-N470 PolarHBondContact NH2-OD1 3.16Å; R442-I474 HydrophobicContact CB-CD1 4.39Å; R442-I474 HydrophobicContact CG-CD1 4.05Å; R442-I474 HydrophobicContact CG-CG1 4.23Å
443	E	81.8	Confident	89.4	Confident	117 Å²	117	42.7 Å²	42.7	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-31.6	175.1	-72.2	168.1	-171.2	0	0	112.3	K408 N439 I440 G445	K408-E443 WeakPolarHBondContact CE-OE2 3.38Å; K408-E443 IonicContact NZ-OE1 2.65Å; K408-E443 PolarHBondContact NZ-OE1 2.88Å; K408-E443 IonicContact NZ-OE2 2.99Å; K408-E443 PolarHBondContact NZ-OE2 3.48Å; K408-E443 VanDerWaalsContact NZ-OE2 3.11Å; N439-E443 WeakPolarHBondContact O-CB 3.49Å; N439-E443 WeakPolarHBondContact O-CG 3.32Å; N439-E443 PolarHBondContact O-N 2.86Å; I440-E443 PolarHBondContact O-N 2.67Å; E443-G445 VanDerWaalsContact C-N 3.29Å; E443-G445 PolarHBondContact O-N 2.95Å
444	Q	83.1	Confident	89.4	Confident	72 Å²	72	42.7 Å²	42.7	34%	0.336	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.1	171.7	-70.6	177.4	10	0	0	114.5	E417 I440 K441 R442 K446	E417-Q444 PolarHBondContact OE2-NE2 3.39Å; I440-Q444 HydrophobicContact CG2-CG 4.35Å; I440-Q444 WeakPolarHBondContact O-CB 3.43Å; I440-Q444 VanDerWaalsContact O-CG 3.32Å; I440-Q444 WeakPolarHBondContact O-CG 3.35Å; I440-Q444 PolarHBondContact O-N 2.62Å; K441-Q444 CarbonylContact O-C 3.16Å; K441-Q444 PolarHBondContact O-N 2.83Å; R442-Q444 VanDerWaalsContact C-N 3.27Å; R442-Q444 PolarHBondContact O-N 2.95Å; Q444-K446 VanDerWaalsContact C-N 3.28Å; Q444-K446 HydrophobicContact CB-CD 4.37Å; Q444-K446 HydrophobicContact CB-CG 4.38Å; Q444-K446 PolarHBondContact O-N 2.85Å
445	G	76.6	Confident	89.4	Confident	51 Å²	51	45.7 Å²	45.7	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	9.5	-176.4	0	0	0	0	0	115.3	K441 R442 E443 I447	K441-G445 PolarHBondContact O-N 3.4Å; R442-G445 PolarHBondContact O-N 3.41Å; E443-G445 VanDerWaalsContact C-N 3.29Å; E443-G445 PolarHBondContact O-N 2.95Å; G445-I447 VanDerWaalsContact C-N 3.32Å; G445-I447 PolarHBondContact O-N 3.43Å; G445-I447 VanDerWaalsContact O-N 3.13Å
446	K	83.2	Confident	89.4	Confident	90 Å²	90	49.7 Å²	49.7	39%	0.391	24%	0.243	S	C	.	.			trans	-87.2	72.1	176.9	-62.6	172.2	-175.1	159.5	0	109.4	K441 Q444 E448 D449 A450	K441-K446 HydrophobicContact CB-CB 4.34Å; K441-K446 HydrophobicContact CD-CB 4.47Å; K441-K446 HydrophobicContact CD-CD 4Å; K441-K446 PolarHBondContact O-N 2.64Å; Q444-K446 VanDerWaalsContact C-N 3.28Å; Q444-K446 HydrophobicContact CB-CD 4.37Å; Q444-K446 HydrophobicContact CB-CG 4.38Å; Q444-K446 PolarHBondContact O-N 2.85Å; K446-E448 VanDerWaalsContact C-N 3.34Å; K446-E448 PolarHBondContact O-N 3.03Å; K446-D449 HydrophobicContact CB-CB 4.08Å; K446-D449 PolarHBondContact O-N 3.02Å; K446-A450 PolarHBondContact O-N 3.11Å
447	I	82.2	Confident	89.5	Confident	36 Å²	36	48.3 Å²	48.3	19%	0.185	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-37.5	-168.1	-56.4	-53.9	0	0	0	112.2	G445 A450 T451 I474	G445-I447 VanDerWaalsContact C-N 3.32Å; G445-I447 PolarHBondContact O-N 3.43Å; G445-I447 VanDerWaalsContact O-N 3.13Å; I447-A450 PolarHBondContact O-N 2.75Å; I447-T451 WeakPolarHBondContact O-CB 3.2Å; I447-T451 PolarHBondContact O-N 2.85Å; I447-T451 PolarHBondContact O-OG1 3.4Å; I447-I474 HydrophobicContact CG2-CD1 4.38Å; I447-I474 HydrophobicContact CG2-CG2 3.55Å
448	E	85.3	Confident	89.5	Confident	135 Å²	135	48.7 Å²	48.7	63%	0.631	24%	0.237	S	C	*	.	H	α-helix	trans	-67	-43.6	178.8	-62.6	66.7	-146.4	0	0	111.2	K446 T451 R452	K446-E448 VanDerWaalsContact C-N 3.34Å; K446-E448 PolarHBondContact O-N 3.03Å; E448-T451 PolarHBondContact O-N 2.85Å; E448-R452 WeakPolarHBondContact O-CB 3.43Å; E448-R452 PolarHBondContact O-N 3.11Å
449	D	88.9	Confident	89.6	Confident	52 Å²	52	56 Å²	56	28%	0.278	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-46.8	174.5	-86.7	-27.8	0	0	0	111.3	K441 K446 T451 R452 L453	K441-D449 HydrophobicContact CB-CB 4.1Å; K441-D449 HydrophobicContact CD-CB 4.2Å; K441-D449 HydrophobicContact CG-CB 4.04Å; K446-D449 HydrophobicContact CB-CB 4.08Å; K446-D449 PolarHBondContact O-N 3.02Å; D449-T451 PolarHBondContact O-N 3.27Å; D449-R452 PolarHBondContact O-N 3.1Å; D449-R452 IonicContact OD1-CZ 3.31Å; D449-R452 IonicContact OD1-NE 2.66Å; D449-R452 IonicContact OD1-NH2 2.88Å; D449-R452 PolarHBondContact OD1-NH2 2.87Å; D449-L453 WeakPolarHBondContact O-CB 3.49Å; D449-L453 WeakPolarHBondContact O-CD1 3.24Å; D449-L453 VanDerWaalsContact O-CG 3.25Å; D449-L453 WeakPolarHBondContact O-CG 3.35Å; D449-L453 PolarHBondContact O-N 3.26Å
450	A	90.9	Very high	89.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-47.4	176.8	0	0	0	0	0	111.3	A438 K441 R442 K446 I447 R452 L453 Y454 I474	A438-A450 WeakPolarHBondContact O-CB 3.42Å; K441-A450 HydrophobicContact CB-CB 3.94Å; R442-A450 HydrophobicContact CB-CB 3.92Å; K446-A450 PolarHBondContact O-N 3.11Å; I447-A450 PolarHBondContact O-N 2.75Å; A450-R452 PolarHBondContact O-N 3.3Å; A450-L453 PolarHBondContact O-N 2.83Å; A450-Y454 HydrophobicContact CB-CE2 4.07Å; A450-Y454 WeakPolarHBondContact O-CD2 3.14Å; A450-Y454 PolarHBondContact O-N 3.45Å; A450-I474 HydrophobicContact CB-CD1 3.71Å
451	T	90.8	Very high	89.8	Confident	26 Å²	26	63.7 Å²	63.7	16%	0.16	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-48.2	178.2	-55.6	0	0	0	0	111	I447 E448 D449 L453 Y454 L455 L471	I447-T451 WeakPolarHBondContact O-CB 3.2Å; I447-T451 PolarHBondContact O-N 2.85Å; I447-T451 PolarHBondContact O-OG1 3.4Å; E448-T451 PolarHBondContact O-N 2.85Å; D449-T451 PolarHBondContact O-N 3.27Å; T451-L453 VanDerWaalsContact C-N 3.34Å; T451-L453 PolarHBondContact O-N 3.4Å; T451-Y454 PolarHBondContact O-N 2.82Å; T451-L455 HydrophobicContact CG2-CD1 4.15Å; T451-L455 WeakPolarHBondContact O-CG 3.5Å; T451-L455 PolarHBondContact O-N 3.43Å; T451-L471 HydrophobicContact CG2-CD1 3.99Å
452	R	94.6	Very high	90	Very high	143 Å²	143	66.7 Å²	66.7	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-38.6	177.5	177.8	174	61.7	154.3	-3.5	112.8	E448 D449 A450 K456	E448-R452 WeakPolarHBondContact O-CB 3.43Å; E448-R452 PolarHBondContact O-N 3.11Å; D449-R452 PolarHBondContact O-N 3.1Å; D449-R452 IonicContact OD1-CZ 3.31Å; D449-R452 IonicContact OD1-NE 2.66Å; D449-R452 IonicContact OD1-NH2 2.88Å; D449-R452 PolarHBondContact OD1-NH2 2.87Å; A450-R452 PolarHBondContact O-N 3.3Å; R452-K456 WeakPolarHBondContact O-CG 3.42Å; R452-K456 PolarHBondContact O-N 3.26Å; R452-K456 VanDerWaalsContact O-N 3.12Å
453	L	95	Very high	90.4	Very high	19 Å²	19	68.3 Å²	68.3	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-73.9	-39.4	179.4	-70.2	166.5	0	0	0	112.4	L437 A438 K441 D449 A450 T451 K456 A457	L437-L453 HydrophobicContact CB-CD1 4.27Å; L437-L453 HydrophobicContact CD2-CD1 4.07Å; L437-L453 HydrophobicContact CD2-CD2 4.17Å; L437-L453 HydrophobicContact CG-CD1 3.78Å; A438-L453 HydrophobicContact CB-CB 3.54Å; A438-L453 HydrophobicContact CB-CD1 4.4Å; K441-L453 HydrophobicContact CB-CD1 4.48Å; K441-L453 HydrophobicContact CG-CD1 3.74Å; D449-L453 WeakPolarHBondContact O-CB 3.49Å; D449-L453 WeakPolarHBondContact O-CD1 3.24Å; D449-L453 VanDerWaalsContact O-CG 3.25Å; D449-L453 WeakPolarHBondContact O-CG 3.35Å; D449-L453 PolarHBondContact O-N 3.26Å; A450-L453 PolarHBondContact O-N 2.83Å; T451-L453 VanDerWaalsContact C-N 3.34Å; T451-L453 PolarHBondContact O-N 3.4Å; L453-K456 PolarHBondContact O-N 2.95Å; L453-A457 PolarHBondContact O-N 3.38Å
454	Y	95.2	Very high	91	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-43.3	171.8	-66.3	-59.4	0	0	0	111.7	N435 A438 N439 A450 T451 K456 A457 L458 A467 N470 L471 I474	N435-Y454 WeakPolarHBondContact OD1-CE1 3.31Å; A438-Y454 HydrophobicContact CB-CD1 3.53Å; A438-Y454 HydrophobicContact CB-CD2 3.88Å; A438-Y454 HydrophobicContact CB-CE1 3.4Å; A438-Y454 HydrophobicContact CB-CE2 3.75Å; A438-Y454 HydrophobicContact CB-CG 3.76Å; N439-Y454 WeakPolarHBondContact CA-OH 3.4Å; N439-Y454 PolarHBondContact N-OH 3.34Å; N439-Y454 PolarHBondContact OD1-OH 3.45Å; A450-Y454 HydrophobicContact CB-CE2 4.07Å; A450-Y454 WeakPolarHBondContact O-CD2 3.14Å; A450-Y454 PolarHBondContact O-N 3.45Å; T451-Y454 PolarHBondContact O-N 2.82Å; Y454-K456 VanDerWaalsContact C-N 3.34Å; Y454-K456 PolarHBondContact O-N 3.28Å; Y454-A457 WeakPolarHBondContact O-CB 3.43Å; Y454-A457 PolarHBondContact O-N 3.11Å; Y454-A457 VanDerWaalsContact O-N 3.14Å; Y454-L458 WeakPolarHBondContact O-CG 3.45Å; Y454-L458 PolarHBondContact O-N 3.2Å; Y454-A467 HydrophobicContact CD1-CB 4.46Å; Y454-N470 HydrophobicContact CD1-CB 4.04Å; Y454-N470 HydrophobicContact CE1-CB 3.39Å; Y454-N470 HydrophobicContact CE2-CB 4.23Å; Y454-L471 HydrophobicContact CG-CB 4.42Å; Y454-I474 HydrophobicContact CD2-CD1 4.08Å; Y454-I474 HydrophobicContact CE2-CD1 3.63Å
455	L	95.1	Very high	91.6	Very high	76 Å²	76	61 Å²	61	40%	0.398	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-44.3	176.4	-73.1	170.8	0	0	0	111.5	T451 A457 L458 E459 L471	T451-L455 HydrophobicContact CG2-CD1 4.15Å; T451-L455 WeakPolarHBondContact O-CG 3.5Å; T451-L455 PolarHBondContact O-N 3.43Å; L455-A457 PolarHBondContact O-N 3.19Å; L455-L458 CarbonylContact O-C 3.54Å; L455-L458 PolarHBondContact O-N 3.36Å; L455-L458 VanDerWaalsContact O-N 3.15Å; L455-E459 WeakPolarHBondContact O-CG 3.26Å; L455-E459 PolarHBondContact O-N 2.87Å; L455-L471 HydrophobicContact CD2-CD2 3.75Å; L455-L471 HydrophobicContact CG-CD2 4.26Å
456	K	94.8	Very high	92.4	Very high	91 Å²	91	60.1 Å²	60.1	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-40.9	172.7	-76.1	-175.7	173.7	-163.2	0	113.4	R452 L453 Y454 L458 E459 I460	R452-K456 WeakPolarHBondContact O-CG 3.42Å; R452-K456 PolarHBondContact O-N 3.26Å; R452-K456 VanDerWaalsContact O-N 3.12Å; L453-K456 PolarHBondContact O-N 2.95Å; Y454-K456 VanDerWaalsContact C-N 3.34Å; Y454-K456 PolarHBondContact O-N 3.28Å; K456-L458 PolarHBondContact O-N 2.74Å; K456-E459 PolarHBondContact O-N 3.28Å; K456-I460 VanDerWaalsContact O-CD1 3.3Å; K456-I460 WeakPolarHBondContact O-CD1 3.4Å; K456-I460 VanDerWaalsContact O-CG1 3.27Å; K456-I460 WeakPolarHBondContact O-CG1 3.49Å; K456-I460 PolarHBondContact O-N 2.87Å; K456-I460 VanDerWaalsContact O-N 3.14Å
457	A	95	Very high	92.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-38.6	175.9	0	0	0	0	0	111.5	Q434 N435 L453 Y454 L455 Y461 F464 A467	Q434-A457 HydrophobicContact CB-CB 3.86Å; N435-A457 HydrophobicContact CB-CB 4.25Å; L453-A457 PolarHBondContact O-N 3.38Å; Y454-A457 WeakPolarHBondContact O-CB 3.43Å; Y454-A457 PolarHBondContact O-N 3.11Å; Y454-A457 VanDerWaalsContact O-N 3.14Å; L455-A457 PolarHBondContact O-N 3.19Å; A457-Y461 PolarHBondContact O-N 2.8Å; A457-F464 HydrophobicContact CB-CD1 4.28Å; A457-A467 HydrophobicContact CB-CB 4.3Å
458	L	95	Very high	93.6	Very high	17 Å²	17	55.1 Å²	55.1	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-77.7	-30.5	177.8	-65.2	179	0	0	0	114	Y454 L455 K456 I460 Y461 P462 F464 A467 H468 L471	Y454-L458 WeakPolarHBondContact O-CG 3.45Å; Y454-L458 PolarHBondContact O-N 3.2Å; L455-L458 CarbonylContact O-C 3.54Å; L455-L458 PolarHBondContact O-N 3.36Å; L455-L458 VanDerWaalsContact O-N 3.15Å; K456-L458 PolarHBondContact O-N 2.74Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-Y461 CarbonylContact O-C 3.59Å; L458-P462 WeakPolarHBondContact O-CA 3.3Å; L458-P462 WeakPolarHBondContact O-CG 3.21Å; L458-F464 HydrophobicContact CD2-CB 4.03Å; L458-A467 HydrophobicContact CD2-CB 3.69Å; L458-A467 HydrophobicContact CG-CB 4.02Å; L458-H468 WeakPolarHBondContact CD2-CD2 3.44Å; L458-L471 HydrophobicContact CD1-CD2 3.84Å
459	E	95.3	Very high	94.1	Very high	153 Å²	153	49 Å²	49	72%	0.715	24%	0.24	S	C	*	.	H	α-helix	trans	-62.7	-36.7	169.7	-75.2	169.1	-178.2	0	0	111.5	L455 K456	L455-E459 WeakPolarHBondContact O-CG 3.26Å; L455-E459 PolarHBondContact O-N 2.87Å; K456-E459 PolarHBondContact O-N 3.28Å
460	I	93.9	Very high	94.3	Very high	67 Å²	67	47.9 Å²	47.9	34%	0.344	23%	0.234	S	C	.	.	H	α-helix	trans	-79.8	-48.1	178.7	-64.7	158.8	0	0	0	111.2	T429 A431 Q434 K456 L458	T429-I460 WeakPolarHBondContact O-CG2 3.46Å; A431-I460 HydrophobicContact CB-CB 4.41Å; A431-I460 HydrophobicContact CB-CG2 4.01Å; Q434-I460 HydrophobicContact CG-CD1 4.13Å; K456-I460 VanDerWaalsContact O-CD1 3.3Å; K456-I460 WeakPolarHBondContact O-CD1 3.4Å; K456-I460 VanDerWaalsContact O-CG1 3.27Å; K456-I460 WeakPolarHBondContact O-CG1 3.49Å; K456-I460 PolarHBondContact O-N 2.87Å; K456-I460 VanDerWaalsContact O-N 3.14Å; L458-I460 VanDerWaalsContact C-N 3.28Å
461	Y	94.4	Very high	94.5	Very high	117 Å²	117	48 Å²	48	46%	0.459	23%	0.234	S	C	.	.			trans	-131.7	89.6	-178	-177.5	-139.5	0	0	0	110.2	A457 L458 E463 F464	A457-Y461 PolarHBondContact O-N 2.8Å; L458-Y461 CarbonylContact O-C 3.59Å; Y461-E463 HydrophobicContact CD2-CB 4.5Å; Y461-E463 HydrophobicContact CE2-CB 3.8Å; Y461-E463 PolarHBondContact O-N 3.49Å; Y461-E463 PolarHBondContact OH-O 2.87Å; Y461-F464 HydrophobicContact CD1-CB 3.5Å; Y461-F464 VanDerWaalsContact CD1-CB 3.5Å; Y461-F464 HydrophobicContact CD1-CD1 4.14Å; Y461-F464 HydrophobicContact CD1-CD2 4.47Å; Y461-F464 AromaticContact CD1-CG 3.83Å; Y461-F464 HydrophobicContact CD1-CG 3.83Å; Y461-F464 HydrophobicContact CE1-CB 4Å; Y461-F464 HydrophobicContact CE1-CG 4.31Å; Y461-F464 HydrophobicContact CG-CB 4.21Å; Y461-F464 VanDerWaalsContact O-CB 3.28Å; Y461-F464 WeakPolarHBondContact O-CB 3.17Å; Y461-F464 PolarHBondContact O-N 3.3Å; Y461-F464 VanDerWaalsContact O-N 3.14Å
462	P	94.1	Very high	94.6	Very high	78 Å²	78	46.8 Å²	46.8	51%	0.506	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.9	-178.5	-27	35.5	0	0	0	113.8	L458 F464 H468	L458-P462 WeakPolarHBondContact O-CA 3.3Å; L458-P462 WeakPolarHBondContact O-CG 3.21Å; P462-F464 PolarHBondContact O-N 3.13Å; P462-H468 PolarHBondContact O-NE2 2.96Å
463	E	94.5	Very high	94.3	Very high	94 Å²	94	40.5 Å²	40.5	44%	0.439	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	25.7	178.1	-55.1	-153.7	120.4	0	0	113.2	Y461 A465 R493 I494	Y461-E463 HydrophobicContact CD2-CB 4.5Å; Y461-E463 HydrophobicContact CE2-CB 3.8Å; Y461-E463 PolarHBondContact O-N 3.49Å; Y461-E463 PolarHBondContact OH-O 2.87Å; E463-A465 PolarHBondContact O-N 3.48Å; E463-A465 VanDerWaalsContact O-N 3.09Å; E463-R493 IonicContact OE1-CZ 3.73Å; E463-R493 IonicContact OE1-NH1 3.75Å; E463-R493 PolarHBondContact OE1-NH1 3.06Å; E463-R493 IonicContact OE1-NH2 2.81Å; E463-R493 PolarHBondContact OE1-NH2 2.84Å; E463-I494 HydrophobicContact CB-CD1 4.41Å; E463-I494 HydrophobicContact CB-CG1 4.33Å; E463-I494 HydrophobicContact CB-CG2 4.21Å; E463-I494 VanDerWaalsContact O-CG2 3.32Å; E463-I494 WeakPolarHBondContact O-CG2 3.31Å
464	F	94.1	Very high	94	Very high	24 Å²	24	39.6 Å²	39.6	11%	0.105	20%	0.2	C	C	.	.			trans	-83.6	80.8	174.8	-156.7	169.4	0	0	0	111.7	A431 D432 N435 A457 L458 Y461 P462 A466 A467 H468	A431-F464 HydrophobicContact CB-CD1 4.3Å; A431-F464 HydrophobicContact CB-CE1 4.3Å; D432-F464 WeakPolarHBondContact OD1-CZ 3.41Å; N435-F464 HydrophobicContact CB-CD1 4.37Å; N435-F464 HydrophobicContact CB-CE1 3.56Å; N435-F464 HydrophobicContact CB-CZ 3.91Å; A457-F464 HydrophobicContact CB-CD1 4.28Å; L458-F464 HydrophobicContact CD2-CB 4.03Å; Y461-F464 HydrophobicContact CD1-CB 3.5Å; Y461-F464 VanDerWaalsContact CD1-CB 3.5Å; Y461-F464 HydrophobicContact CD1-CD1 4.14Å; Y461-F464 HydrophobicContact CD1-CD2 4.47Å; Y461-F464 AromaticContact CD1-CG 3.83Å; Y461-F464 HydrophobicContact CD1-CG 3.83Å; Y461-F464 HydrophobicContact CE1-CB 4Å; Y461-F464 HydrophobicContact CE1-CG 4.31Å; Y461-F464 HydrophobicContact CG-CB 4.21Å; Y461-F464 VanDerWaalsContact O-CB 3.28Å; Y461-F464 WeakPolarHBondContact O-CB 3.17Å; Y461-F464 PolarHBondContact O-N 3.3Å; Y461-F464 VanDerWaalsContact O-N 3.14Å; P462-F464 PolarHBondContact O-N 3.13Å; F464-A466 HydrophobicContact CD2-CB 4.07Å; F464-A466 HydrophobicContact CE2-CB 3.87Å; F464-A466 PolarHBondContact O-N 3.25Å; F464-A466 VanDerWaalsContact O-N 3.1Å; F464-A467 HydrophobicContact CB-CB 4.01Å; F464-A467 HydrophobicContact CD1-CB 3.87Å; F464-A467 HydrophobicContact CD2-CB 4.42Å; F464-A467 HydrophobicContact CG-CB 3.82Å; F464-A467 PolarHBondContact O-N 3.47Å; F464-H468 PolarHBondContact O-N 3.03Å; F464-H468 VanDerWaalsContact O-N 3.08Å
465	A	94.8	Very high	93.6	Very high	12 Å²	12	40.3 Å²	40.3	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-49.8	-40	-178.1	0	0	0	0	0	114.2	E463 H468 S469 A491 I494 A495 F498	E463-A465 PolarHBondContact O-N 3.48Å; E463-A465 VanDerWaalsContact O-N 3.09Å; A465-H468 PolarHBondContact O-N 2.83Å; A465-S469 PolarHBondContact O-N 3.23Å; A465-A491 HydrophobicContact CB-CB 4.48Å; A465-A491 WeakPolarHBondContact O-CB 3.42Å; A465-I494 HydrophobicContact CB-CB 4.02Å; A465-I494 HydrophobicContact CB-CG2 3.82Å; A465-A495 HydrophobicContact CB-CB 3.94Å; A465-F498 HydrophobicContact CB-CD1 4.24Å; A465-F498 HydrophobicContact CB-CE1 4.41Å
466	A	92.7	Very high	93.1	Very high	32 Å²	32	37.7 Å²	37.7	26%	0.264	19%	0.19	S	C	.	.	H	α-helix	trans	-66.1	-39	178.4	0	0	0	0	0	112.9	F464 S469 N470	F464-A466 HydrophobicContact CD2-CB 4.07Å; F464-A466 HydrophobicContact CE2-CB 3.87Å; F464-A466 PolarHBondContact O-N 3.25Å; F464-A466 VanDerWaalsContact O-N 3.1Å; A466-S469 PolarHBondContact O-N 2.72Å; A466-N470 WeakPolarHBondContact O-CB 3.45Å; A466-N470 PolarHBondContact O-N 2.94Å; A466-N470 PolarHBondContact O-ND2 2.95Å
467	A	94.6	Very high	92.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-38.8	176.2	0	0	0	0	0	111.4	N435 Y454 A457 L458 F464 N470 L471	N435-A467 WeakPolarHBondContact OD1-CA 3.45Å; Y454-A467 HydrophobicContact CD1-CB 4.46Å; A457-A467 HydrophobicContact CB-CB 4.3Å; L458-A467 HydrophobicContact CD2-CB 3.69Å; L458-A467 HydrophobicContact CG-CB 4.02Å; F464-A467 HydrophobicContact CB-CB 4.01Å; F464-A467 HydrophobicContact CD1-CB 3.87Å; F464-A467 HydrophobicContact CD2-CB 4.42Å; F464-A467 HydrophobicContact CG-CB 3.82Å; F464-A467 PolarHBondContact O-N 3.47Å; A467-N470 PolarHBondContact O-N 3.4Å; A467-L471 VanDerWaalsContact O-CB 3.25Å; A467-L471 WeakPolarHBondContact O-CB 3.29Å; A467-L471 PolarHBondContact O-N 3.38Å
468	H	97.1	Very high	91.3	Very high	21 Å²	21	43.2 Å²	43.2	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-50.8	170.5	-91.8	-84.1	0	0	0	111.9	L458 P462 F464 A465 L471 A472 H487 E490 A491	L458-H468 WeakPolarHBondContact CD2-CD2 3.44Å; P462-H468 PolarHBondContact O-NE2 2.96Å; F464-H468 PolarHBondContact O-N 3.03Å; F464-H468 VanDerWaalsContact O-N 3.08Å; A465-H468 PolarHBondContact O-N 2.83Å; H468-L471 PolarHBondContact O-N 3.31Å; H468-A472 WeakPolarHBondContact O-CB 3.23Å; H468-A472 PolarHBondContact O-N 2.95Å; H468-H487 AromaticContact CE1-ND1 3.6Å; H468-H487 AromaticContact ND1-CG 3.91Å; H468-H487 AromaticContact ND1-ND1 3.11Å; H468-H487 PolarHBondContact ND1-ND1 2.83Å; H468-H487 VanDerWaalsContact ND1-ND1 3.11Å; H468-E490 WeakPolarHBondContact CE1-CG 3.28Å; H468-A491 HydrophobicContact CB-CB 3.86Å
469	S	95.2	Very high	90.3	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-44.6	179.3	-171.3	0	0	0	0	112.3	A465 A466 L471 A472 S473	A465-S469 PolarHBondContact O-N 3.23Å; A466-S469 PolarHBondContact O-N 2.72Å; S469-L471 PolarHBondContact O-N 2.96Å; S469-A472 WeakPolarHBondContact O-CB 3.28Å; S469-A472 PolarHBondContact O-N 3.27Å; S469-S473 PolarHBondContact O-N 3.28Å; S469-S473 VanDerWaalsContact O-N 3.08Å; S469-S473 PolarHBondContact O-OG 2.95Å
470	N	92.9	Very high	89.8	Confident	30 Å²	30	42 Å²	42	16%	0.16	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-37.7	178.5	-79.8	-50.7	0	0	0	113.5	N439 R442 Y454 A466 A467 S473 I474	N439-N470 PolarHBondContact OD1-ND2 2.86Å; R442-N470 PolarHBondContact NH1-OD1 2.89Å; R442-N470 PolarHBondContact NH2-OD1 3.16Å; Y454-N470 HydrophobicContact CD1-CB 4.04Å; Y454-N470 HydrophobicContact CE1-CB 3.39Å; Y454-N470 HydrophobicContact CE2-CB 4.23Å; A466-N470 WeakPolarHBondContact O-CB 3.45Å; A466-N470 PolarHBondContact O-N 2.94Å; A466-N470 PolarHBondContact O-ND2 2.95Å; A467-N470 PolarHBondContact O-N 3.4Å; N470-S473 PolarHBondContact O-N 3.5Å; N470-I474 PolarHBondContact O-N 3.02Å
471	L	95	Very high	89.5	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-41.8	174.6	178	56.8	0	0	0	111.1	T451 Y454 L455 L458 A467 H468 S469 S473 I474 L475 H487	T451-L471 HydrophobicContact CG2-CD1 3.99Å; Y454-L471 HydrophobicContact CG-CB 4.42Å; L455-L471 HydrophobicContact CD2-CD2 3.75Å; L455-L471 HydrophobicContact CG-CD2 4.26Å; L458-L471 HydrophobicContact CD1-CD2 3.84Å; A467-L471 VanDerWaalsContact O-CB 3.25Å; A467-L471 WeakPolarHBondContact O-CB 3.29Å; A467-L471 PolarHBondContact O-N 3.38Å; H468-L471 PolarHBondContact O-N 3.31Å; S469-L471 PolarHBondContact O-N 2.96Å; L471-S473 VanDerWaalsContact C-N 3.29Å; L471-S473 PolarHBondContact O-N 3.18Å; L471-I474 PolarHBondContact O-N 3.32Å; L471-I474 VanDerWaalsContact O-N 3.08Å; L471-L475 HydrophobicContact CD1-CD1 4.44Å; L471-L475 HydrophobicContact CD1-CG 4.38Å; L471-L475 HydrophobicContact CG-CD1 4.1Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å; L471-L475 PolarHBondContact O-N 3.49Å; L471-H487 VanDerWaalsContact CD2-CE1 3.47Å; L471-H487 WeakPolarHBondContact CD2-CE1 3.48Å
472	A	94.2	Very high	89.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-41.7	174.2	0	0	0	0	0	112.2	H468 S469 I474 L475 Q476 A484 H487 Y488	H468-A472 WeakPolarHBondContact O-CB 3.23Å; H468-A472 PolarHBondContact O-N 2.95Å; S469-A472 WeakPolarHBondContact O-CB 3.28Å; S469-A472 PolarHBondContact O-N 3.27Å; A472-I474 VanDerWaalsContact C-N 3.32Å; A472-I474 PolarHBondContact O-N 3.28Å; A472-L475 PolarHBondContact O-N 3.41Å; A472-Q476 WeakPolarHBondContact O-CB 3.44Å; A472-Q476 PolarHBondContact O-N 3.28Å; A472-A484 HydrophobicContact CB-CB 4.45Å; A472-A484 WeakPolarHBondContact CB-O 3.43Å; A472-A484 VanDerWaalsContact O-CB 3.3Å; A472-A484 WeakPolarHBondContact O-CB 3.23Å; A472-H487 HydrophobicContact CB-CB 3.72Å; A472-Y488 HydrophobicContact CB-CD1 3.55Å; A472-Y488 HydrophobicContact CB-CD2 3.71Å; A472-Y488 HydrophobicContact CB-CE1 3.45Å; A472-Y488 VanDerWaalsContact CB-CE1 3.45Å; A472-Y488 HydrophobicContact CB-CE2 3.62Å; A472-Y488 HydrophobicContact CB-CG 3.65Å; A472-Y488 VanDerWaalsContact CB-CZ 3.48Å
473	S	88.6	Confident	89.3	Confident	12 Å²	12	40.4 Å²	40.4	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-32.3	175.7	-52.6	0	0	0	0	113.5	S469 N470 L471 Q477 Y488	S469-S473 PolarHBondContact O-N 3.28Å; S469-S473 VanDerWaalsContact O-N 3.08Å; S469-S473 PolarHBondContact O-OG 2.95Å; N470-S473 PolarHBondContact O-N 3.5Å; L471-S473 VanDerWaalsContact C-N 3.29Å; L471-S473 PolarHBondContact O-N 3.18Å; S473-Q477 VanDerWaalsContact O-CG 3.32Å; S473-Q477 WeakPolarHBondContact O-CG 3.39Å; S473-Q477 PolarHBondContact O-N 2.88Å; S473-Y488 VanDerWaalsContact CA-OH 3.25Å; S473-Y488 WeakPolarHBondContact CA-OH 3.42Å; S473-Y488 PolarHBondContact N-OH 3.43Å; S473-Y488 PolarHBondContact OG-OH 3.19Å
474	I	87	Confident	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.7	-44.7	171.5	-73.3	-174.4	0	0	0	111	R442 I447 A450 Y454 N470 L471 A472 Q476 Q477 Q478	R442-I474 HydrophobicContact CB-CD1 4.39Å; R442-I474 HydrophobicContact CG-CD1 4.05Å; R442-I474 HydrophobicContact CG-CG1 4.23Å; I447-I474 HydrophobicContact CG2-CD1 4.38Å; I447-I474 HydrophobicContact CG2-CG2 3.55Å; A450-I474 HydrophobicContact CB-CD1 3.71Å; Y454-I474 HydrophobicContact CD2-CD1 4.08Å; Y454-I474 HydrophobicContact CE2-CD1 3.63Å; N470-I474 PolarHBondContact O-N 3.02Å; L471-I474 PolarHBondContact O-N 3.32Å; L471-I474 VanDerWaalsContact O-N 3.08Å; A472-I474 VanDerWaalsContact C-N 3.32Å; A472-I474 PolarHBondContact O-N 3.28Å; I474-Q476 VanDerWaalsContact C-N 3.27Å; I474-Q476 PolarHBondContact O-N 3.3Å; I474-Q477 PolarHBondContact O-N 3.27Å; I474-Q477 VanDerWaalsContact O-N 3.11Å; I474-Q478 HydrophobicContact CG2-CG 4.39Å; I474-Q478 WeakPolarHBondContact O-CG 3.46Å; I474-Q478 PolarHBondContact O-N 3.49Å
475	L	87.1	Confident	89.3	Confident	14 Å²	14	35.5 Å²	35.5	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-39.3	178.6	-68.5	167.9	0	0	0	111.2	L471 A472 Q478 G479 K480 D483 A484 H487	L471-L475 HydrophobicContact CD1-CD1 4.44Å; L471-L475 HydrophobicContact CD1-CG 4.38Å; L471-L475 HydrophobicContact CG-CD1 4.1Å; L471-L475 WeakPolarHBondContact O-CG 3.37Å; L471-L475 PolarHBondContact O-N 3.49Å; A472-L475 PolarHBondContact O-N 3.41Å; L475-Q478 CarbonylContact O-C 3.6Å; L475-Q478 PolarHBondContact O-N 3.35Å; L475-G479 PolarHBondContact O-N 3.22Å; L475-K480 HydrophobicContact CB-CB 4.25Å; L475-K480 HydrophobicContact CD2-CB 4.32Å; L475-K480 HydrophobicContact CD2-CD 3.69Å; L475-K480 WeakPolarHBondContact O-CA 3.17Å; L475-K480 WeakPolarHBondContact O-CB 3.47Å; L475-K480 PolarHBondContact O-N 3.35Å; L475-D483 HydrophobicContact CD1-CB 3.97Å; L475-D483 HydrophobicContact CD2-CB 4.41Å; L475-A484 HydrophobicContact CB-CB 3.93Å; L475-H487 VanDerWaalsContact CD1-CD2 3.42Å; L475-H487 WeakPolarHBondContact CD1-CD2 3.41Å
476	Q	84.5	Confident	89.4	Confident	21 Å²	21	40.6 Å²	40.6	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-48.4	171.9	-171.9	-172.1	-0.9	0	0	111.6	A472 I474 Q478 G479 L481 A484 Y488 T508 E511	A472-Q476 WeakPolarHBondContact O-CB 3.44Å; A472-Q476 PolarHBondContact O-N 3.28Å; I474-Q476 VanDerWaalsContact C-N 3.27Å; I474-Q476 PolarHBondContact O-N 3.3Å; Q476-Q478 PolarHBondContact O-N 3.04Å; Q476-G479 WeakPolarHBondContact O-CA 3.46Å; Q476-G479 PolarHBondContact O-N 2.88Å; Q476-L481 HydrophobicContact CG-CD2 3.98Å; Q476-A484 HydrophobicContact CB-CB 4.09Å; Q476-Y488 PolarHBondContact OE1-OH 3.23Å; Q476-T508 HydrophobicContact CG-CG2 4.36Å; Q476-T508 PolarHBondContact OE1-OG1 2.85Å; Q476-E511 PolarHBondContact NE2-OE2 2.92Å
477	Q	77	Confident	89.6	Confident	137 Å²	137	41 Å²	41	64%	0.64	22%	0.217	S	C	*	.	H	α-helix	trans	-62.2	-28.6	176.7	-71.1	173.1	17.6	0	0	113.2	S473 I474 G479	S473-Q477 VanDerWaalsContact O-CG 3.32Å; S473-Q477 WeakPolarHBondContact O-CG 3.39Å; S473-Q477 PolarHBondContact O-N 2.88Å; I474-Q477 PolarHBondContact O-N 3.27Å; I474-Q477 VanDerWaalsContact O-N 3.11Å; Q477-G479 VanDerWaalsContact C-N 3.25Å; Q477-G479 PolarHBondContact O-N 2.81Å
478	Q	75.3	Confident	89.7	Confident	71 Å²	71	41 Å²	41	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.1	172.4	-67.7	179.4	3.5	0	0	113.6	I474 L475 Q476 K480	I474-Q478 HydrophobicContact CG2-CG 4.39Å; I474-Q478 WeakPolarHBondContact O-CG 3.46Å; I474-Q478 PolarHBondContact O-N 3.49Å; L475-Q478 CarbonylContact O-C 3.6Å; L475-Q478 PolarHBondContact O-N 3.35Å; Q476-Q478 PolarHBondContact O-N 3.04Å; Q478-K480 VanDerWaalsContact C-N 3.27Å; Q478-K480 HydrophobicContact CB-CD 4.35Å; Q478-K480 HydrophobicContact CB-CG 4.34Å; Q478-K480 PolarHBondContact O-N 3.06Å
479	G	74.5	Confident	89.7	Confident	51 Å²	51	46 Å²	46	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	9.4	-175.9	0	0	0	0	0	114.7	L475 Q476 Q477 L481	L475-G479 PolarHBondContact O-N 3.22Å; Q476-G479 WeakPolarHBondContact O-CA 3.46Å; Q476-G479 PolarHBondContact O-N 2.88Å; Q477-G479 VanDerWaalsContact C-N 3.25Å; Q477-G479 PolarHBondContact O-N 2.81Å; G479-L481 PolarHBondContact O-N 3.08Å
480	K	84	Confident	89.8	Confident	94 Å²	94	48.4 Å²	48.4	41%	0.409	25%	0.25	S	C	.	.			trans	-85.9	60.8	177.9	-63.8	173.8	-178.1	162.8	0	110.5	L475 Q478 N482 D483 A484	L475-K480 HydrophobicContact CB-CB 4.25Å; L475-K480 HydrophobicContact CD2-CB 4.32Å; L475-K480 HydrophobicContact CD2-CD 3.69Å; L475-K480 WeakPolarHBondContact O-CA 3.17Å; L475-K480 WeakPolarHBondContact O-CB 3.47Å; L475-K480 PolarHBondContact O-N 3.35Å; Q478-K480 VanDerWaalsContact C-N 3.27Å; Q478-K480 HydrophobicContact CB-CD 4.35Å; Q478-K480 HydrophobicContact CB-CG 4.34Å; Q478-K480 PolarHBondContact O-N 3.06Å; K480-N482 VanDerWaalsContact C-N 3.33Å; K480-N482 PolarHBondContact O-N 2.98Å; K480-D483 HydrophobicContact CB-CB 4.21Å; K480-D483 PolarHBondContact O-N 3.28Å; K480-A484 PolarHBondContact O-N 3.2Å
481	L	87.3	Confident	90	Very high	31 Å²	31	47 Å²	47	16%	0.162	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-37.5	-168.5	-52.2	-179.3	0	0	0	113	Q476 G479 A484 I485 T508 E511 M512	Q476-L481 HydrophobicContact CG-CD2 3.98Å; G479-L481 PolarHBondContact O-N 3.08Å; L481-A484 PolarHBondContact O-N 2.85Å; L481-I485 WeakPolarHBondContact O-CG1 3.46Å; L481-I485 PolarHBondContact O-N 3.16Å; L481-T508 HydrophobicContact CB-CG2 3.96Å; L481-T508 HydrophobicContact CD2-CG2 4.12Å; L481-E511 HydrophobicContact CD1-CB 4.37Å; L481-E511 HydrophobicContact CD1-CG 4.06Å; L481-E511 HydrophobicContact CD2-CG 4.46Å; L481-M512 HydrophobicContact CB-CG 3.77Å; L481-M512 HydrophobicContact CB-SD 3.76Å; L481-M512 HydrophobicContact CD1-CG 3.57Å; L481-M512 HydrophobicContact CG-CG 4.3Å
482	N	92.2	Very high	90.1	Very high	116 Å²	116	47.7 Å²	47.7	62%	0.62	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-45.7	176.3	-69.3	-37.6	0	0	0	112.4	K480 A484 I485 L486 M512	K480-N482 VanDerWaalsContact C-N 3.33Å; K480-N482 PolarHBondContact O-N 2.98Å; N482-A484 VanDerWaalsContact C-N 3.33Å; N482-I485 PolarHBondContact O-N 2.82Å; N482-L486 PolarHBondContact O-N 3.15Å; N482-L486 VanDerWaalsContact O-N 3.08Å; N482-M512 VanDerWaalsContact OD1-CE 3.22Å; N482-M512 WeakPolarHBondContact OD1-CE 3.23Å
483	D	91.9	Very high	90.2	Very high	80 Å²	80	54 Å²	54	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-39.8	179	-53.7	-21.2	0	0	0	110.4	L475 K480 I485 L486 H487	L475-D483 HydrophobicContact CD1-CB 3.97Å; L475-D483 HydrophobicContact CD2-CB 4.41Å; K480-D483 HydrophobicContact CB-CB 4.21Å; K480-D483 PolarHBondContact O-N 3.28Å; D483-I485 PolarHBondContact O-N 3.5Å; D483-L486 WeakPolarHBondContact O-CB 3.36Å; D483-L486 PolarHBondContact O-N 3.14Å; D483-H487 PolarHBondContact O-CD2 3.34Å; D483-H487 PolarHBondContact O-N 3.07Å; D483-H487 VanDerWaalsContact O-N 3.08Å
484	A	94	Very high	90.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-46.9	173.7	0	0	0	0	0	111.8	A472 L475 Q476 K480 L481 N482 L486 H487 Y488 T508	A472-A484 HydrophobicContact CB-CB 4.45Å; A472-A484 WeakPolarHBondContact CB-O 3.43Å; A472-A484 VanDerWaalsContact O-CB 3.3Å; A472-A484 WeakPolarHBondContact O-CB 3.23Å; L475-A484 HydrophobicContact CB-CB 3.93Å; Q476-A484 HydrophobicContact CB-CB 4.09Å; K480-A484 PolarHBondContact O-N 3.2Å; L481-A484 PolarHBondContact O-N 2.85Å; N482-A484 VanDerWaalsContact C-N 3.33Å; A484-L486 VanDerWaalsContact C-N 3.3Å; A484-L486 PolarHBondContact O-N 2.85Å; A484-H487 PolarHBondContact O-N 3.09Å; A484-Y488 HydrophobicContact CB-CD2 4.49Å; A484-Y488 HydrophobicContact CB-CE2 4.21Å; A484-Y488 WeakPolarHBondContact O-CD2 3.4Å; A484-Y488 PolarHBondContact O-N 3.39Å; A484-T508 HydrophobicContact CB-CG2 4.27Å
485	I	95.8	Very high	91	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-37.7	175.8	-73.2	179.9	0	0	0	112	L481 N482 D483 Y488 K489 M505 T508 L509 M512	L481-I485 WeakPolarHBondContact O-CG1 3.46Å; L481-I485 PolarHBondContact O-N 3.16Å; N482-I485 PolarHBondContact O-N 2.82Å; D483-I485 PolarHBondContact O-N 3.5Å; I485-Y488 PolarHBondContact O-N 3.45Å; I485-K489 HydrophobicContact CG2-CD 3.99Å; I485-K489 HydrophobicContact CG2-CG 4.34Å; I485-K489 WeakPolarHBondContact O-CB 3.25Å; I485-K489 VanDerWaalsContact O-CG 3.29Å; I485-K489 WeakPolarHBondContact O-CG 3.24Å; I485-K489 PolarHBondContact O-N 3.35Å; I485-M505 HydrophobicContact CG1-CG 4.36Å; I485-M505 HydrophobicContact CG2-SD 4.47Å; I485-T508 HydrophobicContact CD1-CG2 4.15Å; I485-T508 HydrophobicContact CG1-CG2 3.76Å; I485-L509 HydrophobicContact CD1-CD2 3.54Å; I485-L509 HydrophobicContact CD1-CG 3.83Å; I485-M512 HydrophobicContact CD1-CE 4.45Å; I485-M512 HydrophobicContact CD1-SD 3.42Å; I485-M512 WeakPolarHBondContact CD1-SD 3.38Å; I485-M512 HydrophobicContact CG1-SD 4.5Å
486	L	96.4	Very high	91.4	Very high	118 Å²	118	59.2 Å²	59.2	62%	0.618	30%	0.304	S	S	*	.	H	α-helix	trans	-61.7	-47.2	176.2	-177.4	63.2	0	0	0	111.3	N482 D483 A484 K489 E490	N482-L486 PolarHBondContact O-N 3.15Å; N482-L486 VanDerWaalsContact O-N 3.08Å; D483-L486 WeakPolarHBondContact O-CB 3.36Å; D483-L486 PolarHBondContact O-N 3.14Å; A484-L486 VanDerWaalsContact C-N 3.3Å; A484-L486 PolarHBondContact O-N 2.85Å; L486-K489 PolarHBondContact O-N 2.95Å; L486-E490 PolarHBondContact O-N 2.71Å; L486-E490 VanDerWaalsContact O-N 3.1Å
487	H	96.8	Very high	91.9	Very high	40 Å²	40	63.3 Å²	63.3	19%	0.185	33%	0.33	C	S	.	.	H	α-helix	trans	-68.7	-36.4	177.9	-78.2	-85.7	0	0	0	113.1	H468 L471 A472 L475 D483 A484 E490 A491	H468-H487 AromaticContact CE1-ND1 3.6Å; H468-H487 AromaticContact ND1-CG 3.91Å; H468-H487 AromaticContact ND1-ND1 3.11Å; H468-H487 PolarHBondContact ND1-ND1 2.83Å; H468-H487 VanDerWaalsContact ND1-ND1 3.11Å; L471-H487 VanDerWaalsContact CD2-CE1 3.47Å; L471-H487 WeakPolarHBondContact CD2-CE1 3.48Å; A472-H487 HydrophobicContact CB-CB 3.72Å; L475-H487 VanDerWaalsContact CD1-CD2 3.42Å; L475-H487 WeakPolarHBondContact CD1-CD2 3.41Å; D483-H487 PolarHBondContact O-CD2 3.34Å; D483-H487 PolarHBondContact O-N 3.07Å; D483-H487 VanDerWaalsContact O-N 3.08Å; A484-H487 PolarHBondContact O-N 3.09Å; H487-E490 PolarHBondContact O-N 3.41Å; H487-A491 PolarHBondContact O-N 2.98Å
488	Y	97.3	Very high	92.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-41.7	172.4	-72.3	-54.7	0	0	0	112.2	A472 S473 Q476 A484 I485 E490 A491 I492 N504 M505 T508	A472-Y488 HydrophobicContact CB-CD1 3.55Å; A472-Y488 HydrophobicContact CB-CD2 3.71Å; A472-Y488 HydrophobicContact CB-CE1 3.45Å; A472-Y488 VanDerWaalsContact CB-CE1 3.45Å; A472-Y488 HydrophobicContact CB-CE2 3.62Å; A472-Y488 HydrophobicContact CB-CG 3.65Å; A472-Y488 VanDerWaalsContact CB-CZ 3.48Å; S473-Y488 VanDerWaalsContact CA-OH 3.25Å; S473-Y488 WeakPolarHBondContact CA-OH 3.42Å; S473-Y488 PolarHBondContact N-OH 3.43Å; S473-Y488 PolarHBondContact OG-OH 3.19Å; Q476-Y488 PolarHBondContact OE1-OH 3.23Å; A484-Y488 HydrophobicContact CB-CD2 4.49Å; A484-Y488 HydrophobicContact CB-CE2 4.21Å; A484-Y488 WeakPolarHBondContact O-CD2 3.4Å; A484-Y488 PolarHBondContact O-N 3.39Å; I485-Y488 PolarHBondContact O-N 3.45Å; Y488-E490 VanDerWaalsContact C-N 3.28Å; Y488-E490 PolarHBondContact O-N 3.23Å; Y488-A491 PolarHBondContact O-N 3.35Å; Y488-I492 WeakPolarHBondContact O-CB 3.4Å; Y488-I492 WeakPolarHBondContact O-CD1 3.17Å; Y488-I492 VanDerWaalsContact O-CG1 3.29Å; Y488-I492 WeakPolarHBondContact O-CG1 3.25Å; Y488-I492 PolarHBondContact O-N 2.85Å; Y488-N504 HydrophobicContact CE1-CB 3.64Å; Y488-N504 HydrophobicContact CE2-CB 4.45Å; Y488-N504 WeakPolarHBondContact OH-CB 3.46Å; Y488-M505 HydrophobicContact CD2-CB 4.03Å; Y488-M505 HydrophobicContact CD2-CG 4.36Å; Y488-M505 HydrophobicContact CG-CB 3.99Å; Y488-M505 HydrophobicContact CG-CG 4.49Å; Y488-T508 WeakPolarHBondContact CE2-OG1 3.44Å
489	K	97.1	Very high	93.7	Very high	127 Å²	127	56.1 Å²	56.1	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-59.3	-39.7	175	-78.6	175.6	177.7	176.7	0	111.8	I485 L486 I492 R493 M505	I485-K489 HydrophobicContact CG2-CD 3.99Å; I485-K489 HydrophobicContact CG2-CG 4.34Å; I485-K489 WeakPolarHBondContact O-CB 3.25Å; I485-K489 VanDerWaalsContact O-CG 3.29Å; I485-K489 WeakPolarHBondContact O-CG 3.24Å; I485-K489 PolarHBondContact O-N 3.35Å; L486-K489 PolarHBondContact O-N 2.95Å; K489-I492 PolarHBondContact O-N 3.25Å; K489-R493 WeakPolarHBondContact O-CB 3.45Å; K489-R493 PolarHBondContact O-N 3.41Å; K489-M505 HydrophobicContact CG-SD 3.83Å
490	E	97	Very high	94.6	Very high	56 Å²	56	57.4 Å²	57.4	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-70.2	-42.2	177.6	-170.5	57.4	-163.7	0	0	112	H468 L486 H487 Y488 I492 R493 I494	H468-E490 WeakPolarHBondContact CE1-CG 3.28Å; L486-E490 PolarHBondContact O-N 2.71Å; L486-E490 VanDerWaalsContact O-N 3.1Å; H487-E490 PolarHBondContact O-N 3.41Å; Y488-E490 VanDerWaalsContact C-N 3.28Å; Y488-E490 PolarHBondContact O-N 3.23Å; E490-I492 PolarHBondContact O-N 3.03Å; E490-R493 WeakPolarHBondContact O-CB 3.33Å; E490-R493 PolarHBondContact O-N 3.43Å; E490-R493 VanDerWaalsContact O-N 3.12Å; E490-R493 IonicContact OE1-CZ 2.67Å; E490-R493 IonicContact OE1-NE 3.95Å; E490-R493 PolarHBondContact OE1-NE 2.97Å; E490-R493 IonicContact OE1-NH2 2.84Å; E490-R493 PolarHBondContact OE1-NH2 3.2Å; E490-R493 WeakPolarHBondContact OE2-CD 3.46Å; E490-R493 IonicContact OE2-NE 2.76Å; E490-R493 PolarHBondContact OE2-NE 2.96Å; E490-I494 HydrophobicContact CG-CD1 4.08Å; E490-I494 WeakPolarHBondContact O-CD1 3.28Å; E490-I494 VanDerWaalsContact O-CG1 3.29Å; E490-I494 WeakPolarHBondContact O-CG1 3.5Å; E490-I494 PolarHBondContact O-N 2.69Å
491	A	96.8	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-39.8	171.2	0	0	0	0	0	112.5	A465 H468 H487 Y488 A495 F498 A501	A465-A491 HydrophobicContact CB-CB 4.48Å; A465-A491 WeakPolarHBondContact O-CB 3.42Å; H468-A491 HydrophobicContact CB-CB 3.86Å; H487-A491 PolarHBondContact O-N 2.98Å; Y488-A491 PolarHBondContact O-N 3.35Å; A491-A495 PolarHBondContact O-N 3.08Å; A491-F498 HydrophobicContact CB-CD1 4.31Å; A491-A501 HydrophobicContact CB-CB 4.25Å
492	I	96.8	Very high	95.6	Very high	18 Å²	18	53.3 Å²	53.3	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-72.5	-35.8	176.7	-70	163.4	0	0	0	112	Y488 K489 E490 I494 A495 P496 A501 Y502 M505	Y488-I492 WeakPolarHBondContact O-CB 3.4Å; Y488-I492 WeakPolarHBondContact O-CD1 3.17Å; Y488-I492 VanDerWaalsContact O-CG1 3.29Å; Y488-I492 WeakPolarHBondContact O-CG1 3.25Å; Y488-I492 PolarHBondContact O-N 2.85Å; K489-I492 PolarHBondContact O-N 3.25Å; E490-I492 PolarHBondContact O-N 3.03Å; I492-I494 VanDerWaalsContact C-N 3.34Å; I492-A495 CarbonylContact O-C 3.59Å; I492-A495 VanDerWaalsContact O-C 3.25Å; I492-P496 WeakPolarHBondContact O-CA 3.22Å; I492-P496 VanDerWaalsContact O-N 3.15Å; I492-A501 HydrophobicContact CD1-CB 4.4Å; I492-A501 HydrophobicContact CG1-CB 3.89Å; I492-Y502 HydrophobicContact CD1-CD1 3.78Å; I492-Y502 HydrophobicContact CD1-CD2 4.28Å; I492-Y502 HydrophobicContact CD1-CE1 3.93Å; I492-Y502 HydrophobicContact CD1-CE2 4.43Å; I492-Y502 HydrophobicContact CD1-CG 3.97Å; I492-Y502 HydrophobicContact CG1-CD1 4.48Å; I492-Y502 HydrophobicContact CG1-CD2 4.16Å; I492-Y502 HydrophobicContact CG1-CE1 4.42Å; I492-Y502 HydrophobicContact CG1-CE2 4.12Å; I492-Y502 HydrophobicContact CG1-CG 4.36Å; I492-Y502 HydrophobicContact CG2-CE1 3.91Å; I492-Y502 HydrophobicContact CG2-CE2 3.82Å; I492-Y502 VanDerWaalsContact CG2-CZ 3.4Å; I492-Y502 VanDerWaalsContact CG2-OH 3.31Å; I492-Y502 WeakPolarHBondContact CG2-OH 3.25Å; I492-M505 HydrophobicContact CD1-CE 3.69Å; I492-M505 HydrophobicContact CD1-SD 4.04Å
493	R	97.4	Very high	95.8	Very high	131 Å²	131	47.9 Å²	47.9	49%	0.494	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-45.3	174.6	-173.7	-163	68.6	73.9	-3.9	110.8	E463 K489 E490	E463-R493 IonicContact OE1-CZ 3.73Å; E463-R493 IonicContact OE1-NH1 3.75Å; E463-R493 PolarHBondContact OE1-NH1 3.06Å; E463-R493 IonicContact OE1-NH2 2.81Å; E463-R493 PolarHBondContact OE1-NH2 2.84Å; K489-R493 WeakPolarHBondContact O-CB 3.45Å; K489-R493 PolarHBondContact O-N 3.41Å; E490-R493 WeakPolarHBondContact O-CB 3.33Å; E490-R493 PolarHBondContact O-N 3.43Å; E490-R493 VanDerWaalsContact O-N 3.12Å; E490-R493 IonicContact OE1-CZ 2.67Å; E490-R493 IonicContact OE1-NE 3.95Å; E490-R493 PolarHBondContact OE1-NE 2.97Å; E490-R493 IonicContact OE1-NH2 2.84Å; E490-R493 PolarHBondContact OE1-NH2 3.2Å; E490-R493 WeakPolarHBondContact OE2-CD 3.46Å; E490-R493 IonicContact OE2-NE 2.76Å; E490-R493 PolarHBondContact OE2-NE 2.96Å
494	I	96.6	Very high	95.9	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.205	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-46.1	179.4	-62.3	156.7	0	0	0	110.6	E463 A465 E490 I492	E463-I494 HydrophobicContact CB-CD1 4.41Å; E463-I494 HydrophobicContact CB-CG1 4.33Å; E463-I494 HydrophobicContact CB-CG2 4.21Å; E463-I494 VanDerWaalsContact O-CG2 3.32Å; E463-I494 WeakPolarHBondContact O-CG2 3.31Å; A465-I494 HydrophobicContact CB-CB 4.02Å; A465-I494 HydrophobicContact CB-CG2 3.82Å; E490-I494 HydrophobicContact CG-CD1 4.08Å; E490-I494 WeakPolarHBondContact O-CD1 3.28Å; E490-I494 VanDerWaalsContact O-CG1 3.29Å; E490-I494 WeakPolarHBondContact O-CG1 3.5Å; E490-I494 PolarHBondContact O-N 2.69Å; I492-I494 VanDerWaalsContact C-N 3.34Å
495	A	94.9	Very high	96	Very high	26 Å²	26	45.5 Å²	45.5	22%	0.215	23%	0.23	C	C	.	.			trans	-126.7	85.3	-177.4	0	0	0	0	0	111.8	A465 A491 I492 T497 F498	A465-A495 HydrophobicContact CB-CB 3.94Å; A491-A495 PolarHBondContact O-N 3.08Å; I492-A495 CarbonylContact O-C 3.59Å; I492-A495 VanDerWaalsContact O-C 3.25Å; A495-T497 PolarHBondContact O-N 2.98Å; A495-F498 HydrophobicContact CB-CB 3.95Å; A495-F498 VanDerWaalsContact O-CB 3.23Å; A495-F498 WeakPolarHBondContact O-CB 3.42Å; A495-F498 PolarHBondContact O-N 3.15Å
496	P	95.6	Very high	96	Very high	70 Å²	70	44.7 Å²	44.7	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.4	-178.6	-25	35.6	0	0	0	115.7	I492 I528	I492-P496 WeakPolarHBondContact O-CA 3.22Å; I492-P496 VanDerWaalsContact O-N 3.15Å; P496-I528 WeakPolarHBondContact O-CD1 3.35Å
497	T	95.6	Very high	95.7	Very high	108 Å²	108	40.9 Å²	40.9	66%	0.663	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	11.7	174.3	50.9	0	0	0	0	112.9	A495 A499 I528	A495-T497 PolarHBondContact O-N 2.98Å; T497-A499 PolarHBondContact O-N 3.21Å; T497-I528 WeakPolarHBondContact O-CG2 3.43Å
498	F	94.4	Very high	95.5	Very high	51 Å²	51	39 Å²	39	22%	0.224	20%	0.197	C	C	.	.			trans	-81.7	83.5	179.2	-163.3	179.6	0	0	0	111.2	A465 A491 A495 D500 A501 Y502	A465-F498 HydrophobicContact CB-CD1 4.24Å; A465-F498 HydrophobicContact CB-CE1 4.41Å; A491-F498 HydrophobicContact CB-CD1 4.31Å; A495-F498 HydrophobicContact CB-CB 3.95Å; A495-F498 VanDerWaalsContact O-CB 3.23Å; A495-F498 WeakPolarHBondContact O-CB 3.42Å; A495-F498 PolarHBondContact O-N 3.15Å; F498-D500 VanDerWaalsContact C-N 3.31Å; F498-D500 HydrophobicContact CD2-CB 4.18Å; F498-D500 HydrophobicContact CE2-CB 3.87Å; F498-D500 PolarHBondContact O-N 3.33Å; F498-A501 HydrophobicContact CB-CB 4.15Å; F498-A501 HydrophobicContact CD1-CB 3.74Å; F498-A501 HydrophobicContact CD2-CB 4.39Å; F498-A501 HydrophobicContact CE1-CB 4.25Å; F498-A501 HydrophobicContact CG-CB 3.82Å; F498-A501 PolarHBondContact O-N 3Å; F498-Y502 PolarHBondContact O-N 2.99Å
499	A	95.4	Very high	95.3	Very high	6 Å²	6	39.9 Å²	39.9	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-55.3	-41.2	-175.1	0	0	0	0	0	113.5	T497 A501 Y502 S503 A525 I528 N529 F532	T497-A499 PolarHBondContact O-N 3.21Å; A499-A501 PolarHBondContact O-N 3.17Å; A499-Y502 WeakPolarHBondContact O-CB 3.43Å; A499-Y502 PolarHBondContact O-N 3.36Å; A499-S503 PolarHBondContact O-N 3.38Å; A499-A525 WeakPolarHBondContact O-CB 3.43Å; A499-I528 HydrophobicContact CB-CB 4.21Å; A499-I528 HydrophobicContact CB-CG2 3.88Å; A499-N529 HydrophobicContact CB-CB 4.09Å; A499-F532 HydrophobicContact CB-CD1 4.02Å; A499-F532 HydrophobicContact CB-CE1 4.1Å
500	D	93.3	Very high	94.8	Very high	78 Å²	78	35.5 Å²	35.5	42%	0.417	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-39.2	179.9	-52.1	-89.4	0	0	0	112.4	F498 Y502 S503 N504 F532	F498-D500 VanDerWaalsContact C-N 3.31Å; F498-D500 HydrophobicContact CD2-CB 4.18Å; F498-D500 HydrophobicContact CE2-CB 3.87Å; F498-D500 PolarHBondContact O-N 3.33Å; D500-Y502 VanDerWaalsContact C-N 3.34Å; D500-Y502 PolarHBondContact O-N 2.99Å; D500-S503 PolarHBondContact O-N 3.07Å; D500-N504 WeakPolarHBondContact O-CB 3.42Å; D500-N504 PolarHBondContact O-N 3.39Å; D500-F532 WeakPolarHBondContact OD1-CZ 3.3Å
501	A	95.3	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-38.9	176.5	0	0	0	0	0	111.7	A491 I492 F498 A499 M505	A491-A501 HydrophobicContact CB-CB 4.25Å; I492-A501 HydrophobicContact CD1-CB 4.4Å; I492-A501 HydrophobicContact CG1-CB 3.89Å; F498-A501 HydrophobicContact CB-CB 4.15Å; F498-A501 HydrophobicContact CD1-CB 3.74Å; F498-A501 HydrophobicContact CD2-CB 4.39Å; F498-A501 HydrophobicContact CE1-CB 4.25Å; F498-A501 HydrophobicContact CG-CB 3.82Å; F498-A501 PolarHBondContact O-N 3Å; A499-A501 PolarHBondContact O-N 3.17Å; A501-M505 VanDerWaalsContact O-CB 3.25Å; A501-M505 WeakPolarHBondContact O-CB 3.5Å; A501-M505 PolarHBondContact O-N 3.47Å
502	Y	97.2	Very high	93.6	Very high	38 Å²	38	41 Å²	41	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-46.5	171.2	-80.5	-76.4	0	0	0	112	I492 F498 A499 D500 N504 M505 G506 C521 R524 I528	I492-Y502 HydrophobicContact CD1-CD1 3.78Å; I492-Y502 HydrophobicContact CD1-CD2 4.28Å; I492-Y502 HydrophobicContact CD1-CE1 3.93Å; I492-Y502 HydrophobicContact CD1-CE2 4.43Å; I492-Y502 HydrophobicContact CD1-CG 3.97Å; I492-Y502 HydrophobicContact CG1-CD1 4.48Å; I492-Y502 HydrophobicContact CG1-CD2 4.16Å; I492-Y502 HydrophobicContact CG1-CE1 4.42Å; I492-Y502 HydrophobicContact CG1-CE2 4.12Å; I492-Y502 HydrophobicContact CG1-CG 4.36Å; I492-Y502 HydrophobicContact CG2-CE1 3.91Å; I492-Y502 HydrophobicContact CG2-CE2 3.82Å; I492-Y502 VanDerWaalsContact CG2-CZ 3.4Å; I492-Y502 VanDerWaalsContact CG2-OH 3.31Å; I492-Y502 WeakPolarHBondContact CG2-OH 3.25Å; F498-Y502 PolarHBondContact O-N 2.99Å; A499-Y502 WeakPolarHBondContact O-CB 3.43Å; A499-Y502 PolarHBondContact O-N 3.36Å; D500-Y502 VanDerWaalsContact C-N 3.34Å; D500-Y502 PolarHBondContact O-N 2.99Å; Y502-N504 PolarHBondContact O-N 3.44Å; Y502-M505 PolarHBondContact O-N 2.67Å; Y502-G506 PolarHBondContact O-N 2.86Å; Y502-C521 WeakPolarHBondContact O-CB 3.36Å; Y502-R524 HydrophobicContact CD1-CB 3.93Å; Y502-R524 HydrophobicContact CD1-CG 3.75Å; Y502-R524 HydrophobicContact CD2-CG 4.08Å; Y502-R524 HydrophobicContact CE1-CB 4.07Å; Y502-R524 HydrophobicContact CE1-CG 3.48Å; Y502-R524 VanDerWaalsContact CE1-CG 3.48Å; Y502-R524 HydrophobicContact CE2-CG 3.81Å; Y502-R524 HydrophobicContact CG-CB 4.3Å; Y502-R524 HydrophobicContact CG-CG 4.03Å; Y502-R524 VanDerWaalsContact CZ-CG 3.49Å; Y502-I528 HydrophobicContact CD2-CD1 3.61Å; Y502-I528 HydrophobicContact CE2-CD1 3.55Å
503	S	95.7	Very high	93	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-46	179.1	-168.2	0	0	0	0	111.7	A499 D500 G506 N507 Y522 N538	A499-S503 PolarHBondContact O-N 3.38Å; D500-S503 PolarHBondContact O-N 3.07Å; S503-G506 WeakPolarHBondContact O-CA 3.32Å; S503-G506 PolarHBondContact O-N 3.14Å; S503-G506 VanDerWaalsContact O-N 3.14Å; S503-N507 PolarHBondContact O-N 3.03Å; S503-N507 PolarHBondContact O-ND2 3.05Å; S503-Y522 WeakPolarHBondContact O-CE1 3.43Å; S503-N538 PolarHBondContact OG-ND2 2.74Å
504	N	94	Very high	92.6	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-75.1	-29.3	-178	-74.1	-14.5	0	0	0	113.5	E2 Y488 D500 Y502 N507 T508	E2-N504 PolarHBondContact OE1-ND2 3.32Å; Y488-N504 HydrophobicContact CE1-CB 3.64Å; Y488-N504 HydrophobicContact CE2-CB 4.45Å; Y488-N504 WeakPolarHBondContact OH-CB 3.46Å; D500-N504 WeakPolarHBondContact O-CB 3.42Å; D500-N504 PolarHBondContact O-N 3.39Å; Y502-N504 PolarHBondContact O-N 3.44Å; N504-N507 PolarHBondContact O-N 3.09Å; N504-N507 PolarHBondContact OD1-ND2 3.27Å; N504-T508 PolarHBondContact O-N 2.79Å; N504-T508 VanDerWaalsContact O-N 3.11Å; N504-T508 PolarHBondContact O-OG1 3.35Å
505	M	96.7	Very high	92.3	Very high	18 Å²	18	40.2 Å²	40.2	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-41	164.9	-167.1	169.9	70.2	0	0	111.5	I485 Y488 K489 I492 A501 Y502 N507 T508 L509 C521	I485-M505 HydrophobicContact CG1-CG 4.36Å; I485-M505 HydrophobicContact CG2-SD 4.47Å; Y488-M505 HydrophobicContact CD2-CB 4.03Å; Y488-M505 HydrophobicContact CD2-CG 4.36Å; Y488-M505 HydrophobicContact CG-CB 3.99Å; Y488-M505 HydrophobicContact CG-CG 4.49Å; K489-M505 HydrophobicContact CG-SD 3.83Å; I492-M505 HydrophobicContact CD1-CE 3.69Å; I492-M505 HydrophobicContact CD1-SD 4.04Å; A501-M505 VanDerWaalsContact O-CB 3.25Å; A501-M505 WeakPolarHBondContact O-CB 3.5Å; A501-M505 PolarHBondContact O-N 3.47Å; Y502-M505 PolarHBondContact O-N 2.67Å; M505-N507 PolarHBondContact O-N 3.12Å; M505-T508 WeakPolarHBondContact O-CB 3.4Å; M505-T508 PolarHBondContact O-N 3.16Å; M505-L509 HydrophobicContact CG-CD1 4.06Å; M505-L509 WeakPolarHBondContact O-CG 3.42Å; M505-L509 PolarHBondContact O-N 3Å; M505-C521 WeakPolarHBondContact CE-SG 3.39Å
506	G	95.1	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-42.7	174.5	0	0	0	0	0	112.9	Y502 S503 T508 L509 K510 A518 Y522	Y502-G506 PolarHBondContact O-N 2.86Å; S503-G506 WeakPolarHBondContact O-CA 3.32Å; S503-G506 PolarHBondContact O-N 3.14Å; S503-G506 VanDerWaalsContact O-N 3.14Å; G506-T508 VanDerWaalsContact C-N 3.32Å; G506-T508 PolarHBondContact O-N 3.38Å; G506-L509 PolarHBondContact O-N 2.82Å; G506-K510 WeakPolarHBondContact O-CB 3.47Å; G506-K510 PolarHBondContact O-N 3.14Å; G506-A518 WeakPolarHBondContact O-CB 3.48Å; G506-Y522 PolarHBondContact O-OH 2.85Å
507	N	91.2	Very high	92.1	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-43.3	173.9	-72	-35.8	0	0	0	111.4	S503 N504 M505 K510 E511 Y522 N538	S503-N507 PolarHBondContact O-N 3.03Å; S503-N507 PolarHBondContact O-ND2 3.05Å; N504-N507 PolarHBondContact O-N 3.09Å; N504-N507 PolarHBondContact OD1-ND2 3.27Å; M505-N507 PolarHBondContact O-N 3.12Å; N507-K510 PolarHBondContact O-N 3.12Å; N507-E511 PolarHBondContact O-N 3.5Å; N507-Y522 WeakPolarHBondContact CA-OH 3.49Å; N507-Y522 PolarHBondContact N-OH 3.22Å; N507-Y522 PolarHBondContact OD1-OH 2.97Å; N507-Y522 VanDerWaalsContact OD1-OH 3.07Å; N507-N538 PolarHBondContact OD1-ND2 3.3Å
508	T	91.6	Very high	92.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-42.9	178.3	-52.5	0	0	0	0	111.9	Q476 L481 A484 I485 Y488 N504 M505 G506 E511 M512	Q476-T508 HydrophobicContact CG-CG2 4.36Å; Q476-T508 PolarHBondContact OE1-OG1 2.85Å; L481-T508 HydrophobicContact CB-CG2 3.96Å; L481-T508 HydrophobicContact CD2-CG2 4.12Å; A484-T508 HydrophobicContact CB-CG2 4.27Å; I485-T508 HydrophobicContact CD1-CG2 4.15Å; I485-T508 HydrophobicContact CG1-CG2 3.76Å; Y488-T508 WeakPolarHBondContact CE2-OG1 3.44Å; N504-T508 PolarHBondContact O-N 2.79Å; N504-T508 VanDerWaalsContact O-N 3.11Å; N504-T508 PolarHBondContact O-OG1 3.35Å; M505-T508 WeakPolarHBondContact O-CB 3.4Å; M505-T508 PolarHBondContact O-N 3.16Å; G506-T508 VanDerWaalsContact C-N 3.32Å; G506-T508 PolarHBondContact O-N 3.38Å; T508-E511 WeakPolarHBondContact O-CB 3.43Å; T508-E511 PolarHBondContact O-N 2.99Å; T508-M512 WeakPolarHBondContact O-CG 3.45Å; T508-M512 PolarHBondContact O-N 3.42Å
509	L	92.7	Very high	92.2	Very high	19 Å²	19	36 Å²	36	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-39.6	175.8	-75	161.1	0	0	0	112.1	I485 M505 G506 E511 M512 G513 D514 A517 A518 C521	I485-L509 HydrophobicContact CD1-CD2 3.54Å; I485-L509 HydrophobicContact CD1-CG 3.83Å; M505-L509 HydrophobicContact CG-CD1 4.06Å; M505-L509 WeakPolarHBondContact O-CG 3.42Å; M505-L509 PolarHBondContact O-N 3Å; G506-L509 PolarHBondContact O-N 2.82Å; L509-E511 VanDerWaalsContact C-N 3.32Å; L509-E511 PolarHBondContact O-N 3.26Å; L509-M512 CarbonylContact O-C 3.25Å; L509-M512 PolarHBondContact O-N 2.97Å; L509-G513 PolarHBondContact O-N 3.21Å; L509-G513 VanDerWaalsContact O-N 3.12Å; L509-D514 HydrophobicContact CD2-CB 4.28Å; L509-D514 PolarHBondContact O-N 2.52Å; L509-A517 HydrophobicContact CD1-CB 3.77Å; L509-A517 HydrophobicContact CD2-CB 4.01Å; L509-A517 HydrophobicContact CG-CB 4.37Å; L509-A518 HydrophobicContact CB-CB 3.95Å; L509-C521 VanDerWaalsContact CD1-SG 3.55Å
510	K	87.9	Confident	92.2	Very high	34 Å²	34	38.4 Å²	38.4	15%	0.148	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-42	173.2	-170.3	-171	177.2	-176.2	0	111.4	G506 N507 M512 G513 A518 S541 I542 D545	G506-K510 WeakPolarHBondContact O-CB 3.47Å; G506-K510 PolarHBondContact O-N 3.14Å; N507-K510 PolarHBondContact O-N 3.12Å; K510-M512 VanDerWaalsContact C-N 3.29Å; K510-M512 PolarHBondContact O-N 3.27Å; K510-G513 PolarHBondContact O-N 2.96Å; K510-A518 HydrophobicContact CB-CB 4.16Å; K510-S541 PolarHBondContact NZ-OG 2.9Å; K510-I542 HydrophobicContact CB-CD1 4.2Å; K510-I542 HydrophobicContact CD-CD1 4.09Å; K510-I542 HydrophobicContact CD-CG1 3.81Å; K510-I542 HydrophobicContact CG-CD1 3.96Å; K510-I542 HydrophobicContact CG-CG1 4.13Å; K510-D545 VanDerWaalsContact CE-OD2 3.3Å; K510-D545 WeakPolarHBondContact CE-OD2 3.25Å; K510-D545 IonicContact NZ-OD2 3.35Å; K510-D545 PolarHBondContact NZ-OD2 3.34Å
511	E	82.8	Confident	92.4	Very high	88 Å²	88	35.2 Å²	35.2	41%	0.411	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-32.6	177.3	-166	169.1	164.2	0	0	112.2	N5 Q476 L481 N507 T508 L509 G513	N5-E511 PolarHBondContact ND2-OE2 3.16Å; Q476-E511 PolarHBondContact NE2-OE2 2.92Å; L481-E511 HydrophobicContact CD1-CB 4.37Å; L481-E511 HydrophobicContact CD1-CG 4.06Å; L481-E511 HydrophobicContact CD2-CG 4.46Å; N507-E511 PolarHBondContact O-N 3.5Å; T508-E511 WeakPolarHBondContact O-CB 3.43Å; T508-E511 PolarHBondContact O-N 2.99Å; L509-E511 VanDerWaalsContact C-N 3.32Å; L509-E511 PolarHBondContact O-N 3.26Å; E511-G513 VanDerWaalsContact C-N 3.28Å; E511-G513 PolarHBondContact O-N 3.38Å
512	M	84.8	Confident	92.4	Very high	85 Å²	85	35.2 Å²	35.2	42%	0.419	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.3	170.7	-66.1	177	64.3	0	0	114.3	L481 N482 I485 T508 L509 K510	L481-M512 HydrophobicContact CB-CG 3.77Å; L481-M512 HydrophobicContact CB-SD 3.76Å; L481-M512 HydrophobicContact CD1-CG 3.57Å; L481-M512 HydrophobicContact CG-CG 4.3Å; N482-M512 VanDerWaalsContact OD1-CE 3.22Å; N482-M512 WeakPolarHBondContact OD1-CE 3.23Å; I485-M512 HydrophobicContact CD1-CE 4.45Å; I485-M512 HydrophobicContact CD1-SD 3.42Å; I485-M512 WeakPolarHBondContact CD1-SD 3.38Å; I485-M512 HydrophobicContact CG1-SD 4.5Å; T508-M512 WeakPolarHBondContact O-CG 3.45Å; T508-M512 PolarHBondContact O-N 3.42Å; L509-M512 CarbonylContact O-C 3.25Å; L509-M512 PolarHBondContact O-N 2.97Å; K510-M512 VanDerWaalsContact C-N 3.29Å; K510-M512 PolarHBondContact O-N 3.27Å
513	G	84.1	Confident	92.4	Very high	51 Å²	51	36.6 Å²	36.6	53%	0.526	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-0	-177.9	0	0	0	0	0	115.6	L509 K510 E511 S515	L509-G513 PolarHBondContact O-N 3.21Å; L509-G513 VanDerWaalsContact O-N 3.12Å; K510-G513 PolarHBondContact O-N 2.96Å; E511-G513 VanDerWaalsContact C-N 3.28Å; E511-G513 PolarHBondContact O-N 3.38Å; G513-S515 VanDerWaalsContact C-N 3.27Å; G513-S515 PolarHBondContact O-N 2.84Å
514	D	89.5	Confident	92.5	Very high	65 Å²	65	41.1 Å²	41.1	35%	0.348	24%	0.241	S	C	.	.			trans	-82.1	75.3	173.7	-170.5	-7.4	0	0	0	110.9	L509 S516 A517 A518	L509-D514 HydrophobicContact CD2-CB 4.28Å; L509-D514 PolarHBondContact O-N 2.52Å; D514-S516 PolarHBondContact O-N 3.12Å; D514-S516 PolarHBondContact OD1-N 2.81Å; D514-S516 VanDerWaalsContact OD1-N 3.12Å; D514-S516 PolarHBondContact OD1-OG 3.13Å; D514-A517 HydrophobicContact CB-CB 4.46Å; D514-A517 VanDerWaalsContact CG-CB 3.49Å; D514-A517 PolarHBondContact OD1-N 3.33Å; D514-A517 WeakPolarHBondContact OD2-CB 3.3Å; D514-A518 VanDerWaalsContact O-CB 3.3Å; D514-A518 WeakPolarHBondContact O-CB 3.46Å; D514-A518 PolarHBondContact O-N 3.41Å
515	S	89.8	Confident	92.7	Very high	56 Å²	56	40.5 Å²	40.5	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-29.7	174.3	-62	0	0	0	0	112.6	G513 I519	G513-S515 VanDerWaalsContact C-N 3.27Å; G513-S515 PolarHBondContact O-N 2.84Å; S515-I519 WeakPolarHBondContact O-CB 3.3Å; S515-I519 WeakPolarHBondContact O-CD1 3.38Å; S515-I519 VanDerWaalsContact O-CG1 3.22Å; S515-I519 WeakPolarHBondContact O-CG1 3.28Å; S515-I519 PolarHBondContact O-N 2.73Å
516	S	93.6	Very high	92.7	Very high	89 Å²	89	40.9 Å²	40.9	62%	0.622	24%	0.24	S	C	*	.	H	α-helix	trans	-72.1	-49	-175.2	76.7	0	0	0	0	111.7	D514 I519 A520	D514-S516 PolarHBondContact O-N 3.12Å; D514-S516 PolarHBondContact OD1-N 2.81Å; D514-S516 VanDerWaalsContact OD1-N 3.12Å; D514-S516 PolarHBondContact OD1-OG 3.13Å; S516-I519 PolarHBondContact O-N 3.41Å; S516-A520 PolarHBondContact O-N 3.11Å
517	A	94.2	Very high	92.8	Very high	27 Å²	27	47 Å²	47	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-70.3	-34.2	175.4	0	0	0	0	0	111.4	L509 D514 A520 C521	L509-A517 HydrophobicContact CD1-CB 3.77Å; L509-A517 HydrophobicContact CD2-CB 4.01Å; L509-A517 HydrophobicContact CG-CB 4.37Å; D514-A517 HydrophobicContact CB-CB 4.46Å; D514-A517 VanDerWaalsContact CG-CB 3.49Å; D514-A517 PolarHBondContact OD1-N 3.33Å; D514-A517 WeakPolarHBondContact OD2-CB 3.3Å; A517-A520 PolarHBondContact O-N 3.37Å; A517-C521 PolarHBondContact O-N 3.38Å; A517-C521 PolarHBondContact O-SG 3.38Å
518	A	95.3	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.6	0	0	0	0	0	112.5	G506 L509 K510 D514 A520 C521 Y522 I542	G506-A518 WeakPolarHBondContact O-CB 3.48Å; L509-A518 HydrophobicContact CB-CB 3.95Å; K510-A518 HydrophobicContact CB-CB 4.16Å; D514-A518 VanDerWaalsContact O-CB 3.3Å; D514-A518 WeakPolarHBondContact O-CB 3.46Å; D514-A518 PolarHBondContact O-N 3.41Å; A518-A520 VanDerWaalsContact C-N 3.34Å; A518-A520 PolarHBondContact O-N 2.95Å; A518-C521 WeakPolarHBondContact O-CB 3.26Å; A518-C521 PolarHBondContact O-N 3.22Å; A518-Y522 HydrophobicContact CB-CE2 4.23Å; A518-Y522 WeakPolarHBondContact O-CD2 3.3Å; A518-Y522 PolarHBondContact O-N 3.24Å; A518-I542 HydrophobicContact CB-CD1 3.44Å; A518-I542 VanDerWaalsContact CB-CD1 3.44Å
519	I	95.4	Very high	93.2	Very high	49 Å²	49	50.6 Å²	50.6	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-57.4	-46.1	173.2	-73.4	164	0	0	0	111	S515 S516 C521 Y522 N523 L539 I542	S515-I519 WeakPolarHBondContact O-CB 3.3Å; S515-I519 WeakPolarHBondContact O-CD1 3.38Å; S515-I519 VanDerWaalsContact O-CG1 3.22Å; S515-I519 WeakPolarHBondContact O-CG1 3.28Å; S515-I519 PolarHBondContact O-N 2.73Å; S516-I519 PolarHBondContact O-N 3.41Å; I519-C521 VanDerWaalsContact C-N 3.29Å; I519-C521 PolarHBondContact O-N 2.94Å; I519-Y522 PolarHBondContact O-N 2.81Å; I519-N523 WeakPolarHBondContact CG2-ND2 3.33Å; I519-N523 WeakPolarHBondContact O-CB 3.29Å; I519-N523 PolarHBondContact O-N 2.91Å; I519-N523 PolarHBondContact O-ND2 3.33Å; I519-L539 HydrophobicContact CB-CD1 4.34Å; I519-L539 HydrophobicContact CG1-CD1 4.08Å; I519-L539 HydrophobicContact CG2-CD1 4.03Å; I519-I542 HydrophobicContact CD1-CG2 3.72Å; I519-I542 HydrophobicContact CG1-CB 4.27Å; I519-I542 HydrophobicContact CG1-CD1 4.33Å; I519-I542 HydrophobicContact CG1-CG2 3.8Å
520	A	96.4	Very high	93.4	Very high	58 Å²	58	53.9 Å²	53.9	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-39.5	178	0	0	0	0	0	112.1	S516 A517 A518 R524	S516-A520 PolarHBondContact O-N 3.11Å; A517-A520 PolarHBondContact O-N 3.37Å; A518-A520 VanDerWaalsContact C-N 3.34Å; A518-A520 PolarHBondContact O-N 2.95Å; A520-R524 WeakPolarHBondContact O-CB 3.3Å; A520-R524 PolarHBondContact O-N 3.4Å
521	C	96.6	Very high	93.7	Very high	11 Å²	11	55.1 Å²	55.1	7%	0.074	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-47	177.3	-66.5	0	0	0	0	112.6	Y502 M505 L509 A517 A518 I519 R524 A525	Y502-C521 WeakPolarHBondContact O-CB 3.36Å; M505-C521 WeakPolarHBondContact CE-SG 3.39Å; L509-C521 VanDerWaalsContact CD1-SG 3.55Å; A517-C521 PolarHBondContact O-N 3.38Å; A517-C521 PolarHBondContact O-SG 3.38Å; A518-C521 WeakPolarHBondContact O-CB 3.26Å; A518-C521 PolarHBondContact O-N 3.22Å; I519-C521 VanDerWaalsContact C-N 3.29Å; I519-C521 PolarHBondContact O-N 2.94Å; C521-R524 PolarHBondContact O-N 2.69Å; C521-A525 PolarHBondContact O-N 2.81Å
522	Y	96.8	Very high	94.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-42.6	177.1	-56.3	-44.9	0	0	0	112.1	S503 G506 N507 A518 I519 R524 A525 I526 N538 L539 I542	S503-Y522 WeakPolarHBondContact O-CE1 3.43Å; G506-Y522 PolarHBondContact O-OH 2.85Å; N507-Y522 WeakPolarHBondContact CA-OH 3.49Å; N507-Y522 PolarHBondContact N-OH 3.22Å; N507-Y522 PolarHBondContact OD1-OH 2.97Å; N507-Y522 VanDerWaalsContact OD1-OH 3.07Å; A518-Y522 HydrophobicContact CB-CE2 4.23Å; A518-Y522 WeakPolarHBondContact O-CD2 3.3Å; A518-Y522 PolarHBondContact O-N 3.24Å; I519-Y522 PolarHBondContact O-N 2.81Å; Y522-R524 PolarHBondContact O-N 2.81Å; Y522-A525 PolarHBondContact O-N 3.15Å; Y522-A525 VanDerWaalsContact O-N 3.16Å; Y522-I526 WeakPolarHBondContact O-CB 3.5Å; Y522-I526 WeakPolarHBondContact O-CD1 3.35Å; Y522-I526 VanDerWaalsContact O-CG1 3.28Å; Y522-I526 WeakPolarHBondContact O-CG1 3.31Å; Y522-I526 PolarHBondContact O-N 2.78Å; Y522-N538 HydrophobicContact CD1-CB 3.88Å; Y522-N538 HydrophobicContact CD2-CB 4.26Å; Y522-N538 HydrophobicContact CE1-CB 3.47Å; Y522-N538 VanDerWaalsContact CE1-CB 3.47Å; Y522-N538 HydrophobicContact CE2-CB 3.87Å; Y522-N538 HydrophobicContact CG-CB 4.28Å; Y522-N538 VanDerWaalsContact CZ-CB 3.49Å; Y522-L539 HydrophobicContact CD2-CB 4.13Å; Y522-L539 HydrophobicContact CD2-CD1 4.42Å; Y522-L539 HydrophobicContact CG-CB 4.39Å; Y522-I542 HydrophobicContact CD2-CD1 4.31Å; Y522-I542 HydrophobicContact CE2-CD1 3.58Å; Y522-I542 HydrophobicContact CE2-CG1 4.13Å
523	N	97	Very high	94.8	Very high	67 Å²	67	48.3 Å²	48.3	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-38.6	174.4	-79.4	-33.5	0	0	0	111.4	I519 I526 Q527 L539	I519-N523 WeakPolarHBondContact CG2-ND2 3.33Å; I519-N523 WeakPolarHBondContact O-CB 3.29Å; I519-N523 PolarHBondContact O-N 2.91Å; I519-N523 PolarHBondContact O-ND2 3.33Å; N523-I526 PolarHBondContact O-N 3.11Å; N523-Q527 VanDerWaalsContact O-CG 3.27Å; N523-Q527 WeakPolarHBondContact O-CG 3.35Å; N523-Q527 PolarHBondContact O-N 2.82Å; N523-L539 WeakPolarHBondContact OD1-CD2 3.19Å
524	R	97.2	Very high	95.3	Very high	96 Å²	96	48.1 Å²	48.1	36%	0.362	28%	0.282	S	S	.	.	H	α-helix	trans	-69.6	-40.7	175.7	-172.9	54.3	-179.1	169.1	5.9	112.7	Y502 A520 C521 Y522 I526 Q527 I528	Y502-R524 HydrophobicContact CD1-CB 3.93Å; Y502-R524 HydrophobicContact CD1-CG 3.75Å; Y502-R524 HydrophobicContact CD2-CG 4.08Å; Y502-R524 HydrophobicContact CE1-CB 4.07Å; Y502-R524 HydrophobicContact CE1-CG 3.48Å; Y502-R524 VanDerWaalsContact CE1-CG 3.48Å; Y502-R524 HydrophobicContact CE2-CG 3.81Å; Y502-R524 HydrophobicContact CG-CB 4.3Å; Y502-R524 HydrophobicContact CG-CG 4.03Å; Y502-R524 VanDerWaalsContact CZ-CG 3.49Å; A520-R524 WeakPolarHBondContact O-CB 3.3Å; A520-R524 PolarHBondContact O-N 3.4Å; C521-R524 PolarHBondContact O-N 2.69Å; Y522-R524 PolarHBondContact O-N 2.81Å; R524-I526 VanDerWaalsContact C-N 3.33Å; R524-I526 PolarHBondContact O-N 2.56Å; R524-Q527 PolarHBondContact O-N 3.28Å; R524-I528 HydrophobicContact CG-CD1 4.05Å; R524-I528 WeakPolarHBondContact O-CD1 2.97Å; R524-I528 VanDerWaalsContact O-CG1 3.3Å; R524-I528 WeakPolarHBondContact O-CG1 3.21Å; R524-I528 PolarHBondContact O-N 3.25Å; R524-I528 VanDerWaalsContact O-N 3.1Å
525	A	97.1	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-42.1	173.3	0	0	0	0	0	111.9	A499 C521 Y522 I528 N529 F532 A535	A499-A525 WeakPolarHBondContact O-CB 3.43Å; C521-A525 PolarHBondContact O-N 2.81Å; Y522-A525 PolarHBondContact O-N 3.15Å; Y522-A525 VanDerWaalsContact O-N 3.16Å; A525-I528 PolarHBondContact O-N 3.07Å; A525-N529 PolarHBondContact O-N 3.3Å; A525-F532 HydrophobicContact CB-CD1 4.1Å; A525-F532 HydrophobicContact CB-CE1 4.32Å; A525-A535 HydrophobicContact CB-CB 4.12Å
526	I	97.2	Very high	95.9	Very high	25 Å²	25	43.4 Å²	43.4	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-36.9	176.8	-66.4	162.2	0	0	0	111.8	Y522 N523 R524 I528 N529 P530 A535 L539	Y522-I526 WeakPolarHBondContact O-CB 3.5Å; Y522-I526 WeakPolarHBondContact O-CD1 3.35Å; Y522-I526 VanDerWaalsContact O-CG1 3.28Å; Y522-I526 WeakPolarHBondContact O-CG1 3.31Å; Y522-I526 PolarHBondContact O-N 2.78Å; N523-I526 PolarHBondContact O-N 3.11Å; R524-I526 VanDerWaalsContact C-N 3.33Å; R524-I526 PolarHBondContact O-N 2.56Å; I526-I528 VanDerWaalsContact C-N 3.31Å; I526-I528 PolarHBondContact O-N 3.49Å; I526-N529 CarbonylContact O-C 3.4Å; I526-P530 WeakPolarHBondContact O-CA 3.34Å; I526-P530 WeakPolarHBondContact O-CD 3.19Å; I526-A535 HydrophobicContact CD1-CB 4.44Å; I526-A535 HydrophobicContact CG1-CB 3.9Å; I526-L539 HydrophobicContact CD1-CD2 3.8Å
527	Q	97.2	Very high	96	Very high	129 Å²	129	39.2 Å²	39.2	60%	0.603	22%	0.222	S	C	*	.	H	α-helix	trans	-62.9	-37.8	173.4	-77.4	170.6	8.2	0	0	112.6	N523 R524	N523-Q527 VanDerWaalsContact O-CG 3.27Å; N523-Q527 WeakPolarHBondContact O-CG 3.35Å; N523-Q527 PolarHBondContact O-N 2.82Å; R524-Q527 PolarHBondContact O-N 3.28Å
528	I	96.7	Very high	96	Very high	46 Å²	46	38.7 Å²	38.7	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-76	-44.2	179.6	-66.7	163.1	0	0	0	110.5	P496 T497 A499 Y502 R524 A525 I526	P496-I528 WeakPolarHBondContact O-CD1 3.35Å; T497-I528 WeakPolarHBondContact O-CG2 3.43Å; A499-I528 HydrophobicContact CB-CB 4.21Å; A499-I528 HydrophobicContact CB-CG2 3.88Å; Y502-I528 HydrophobicContact CD2-CD1 3.61Å; Y502-I528 HydrophobicContact CE2-CD1 3.55Å; R524-I528 HydrophobicContact CG-CD1 4.05Å; R524-I528 WeakPolarHBondContact O-CD1 2.97Å; R524-I528 VanDerWaalsContact O-CG1 3.3Å; R524-I528 WeakPolarHBondContact O-CG1 3.21Å; R524-I528 PolarHBondContact O-N 3.25Å; R524-I528 VanDerWaalsContact O-N 3.1Å; A525-I528 PolarHBondContact O-N 3.07Å; I526-I528 VanDerWaalsContact C-N 3.31Å; I526-I528 PolarHBondContact O-N 3.49Å
529	N	95.7	Very high	96	Very high	67 Å²	67	39 Å²	39	36%	0.358	22%	0.217	S	C	.	.			trans	-130.8	92.7	176.7	179.9	3.3	0	0	0	110.4	A499 A525 I526 A531 F532	A499-N529 HydrophobicContact CB-CB 4.09Å; A525-N529 PolarHBondContact O-N 3.3Å; I526-N529 CarbonylContact O-C 3.4Å; N529-A531 PolarHBondContact O-N 3.31Å; N529-A531 VanDerWaalsContact O-N 3.1Å; N529-A531 PolarHBondContact OD1-N 3.1Å; N529-A531 VanDerWaalsContact OD1-N 3.12Å; N529-F532 HydrophobicContact CB-CB 4.11Å; N529-F532 WeakPolarHBondContact O-CB 3.17Å; N529-F532 PolarHBondContact O-N 2.89Å; N529-F532 PolarHBondContact OD1-N 3.38Å
530	P	95.4	Very high	96	Very high	88 Å²	88	36.7 Å²	36.7	57%	0.571	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.7	179.5	-27.8	36.5	0	0	0	114.4	I526 F532 H536	I526-P530 WeakPolarHBondContact O-CA 3.34Å; I526-P530 WeakPolarHBondContact O-CD 3.19Å; P530-F532 VanDerWaalsContact C-N 3.31Å; P530-H536 PolarHBondContact O-NE2 2.74Å
531	A	95.1	Very high	95.7	Very high	61 Å²	61	34 Å²	34	50%	0.504	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5.1	178.1	0	0	0	0	0	113.8	N529 A533 L562	N529-A531 PolarHBondContact O-N 3.31Å; N529-A531 VanDerWaalsContact O-N 3.1Å; N529-A531 PolarHBondContact OD1-N 3.1Å; N529-A531 VanDerWaalsContact OD1-N 3.12Å; A531-A533 VanDerWaalsContact C-N 3.33Å; A531-A533 PolarHBondContact O-N 3.1Å; A531-L562 HydrophobicContact CB-CD2 4.18Å
532	F	94.9	Very high	95.5	Very high	24 Å²	24	33.6 Å²	33.6	11%	0.105	18%	0.18	C	C	.	.			trans	-74.7	80.3	-177.7	-162	177.2	0	0	0	112.3	A499 D500 A525 N529 P530 D534 A535 H536	A499-F532 HydrophobicContact CB-CD1 4.02Å; A499-F532 HydrophobicContact CB-CE1 4.1Å; D500-F532 WeakPolarHBondContact OD1-CZ 3.3Å; A525-F532 HydrophobicContact CB-CD1 4.1Å; A525-F532 HydrophobicContact CB-CE1 4.32Å; N529-F532 HydrophobicContact CB-CB 4.11Å; N529-F532 WeakPolarHBondContact O-CB 3.17Å; N529-F532 PolarHBondContact O-N 2.89Å; N529-F532 PolarHBondContact OD1-N 3.38Å; P530-F532 VanDerWaalsContact C-N 3.31Å; F532-D534 VanDerWaalsContact C-N 3.26Å; F532-D534 HydrophobicContact CD2-CB 4.24Å; F532-D534 HydrophobicContact CE2-CB 3.99Å; F532-D534 PolarHBondContact O-N 3.49Å; F532-A535 HydrophobicContact CB-CB 4.13Å; F532-A535 HydrophobicContact CD1-CB 3.72Å; F532-A535 HydrophobicContact CD2-CB 4.36Å; F532-A535 HydrophobicContact CE1-CB 4.25Å; F532-A535 HydrophobicContact CG-CB 3.79Å; F532-A535 PolarHBondContact O-N 3.3Å; F532-A535 VanDerWaalsContact O-N 3.09Å; F532-H536 PolarHBondContact O-CD2 3.13Å; F532-H536 PolarHBondContact O-N 3.09Å
533	A	96.1	Very high	95.2	Very high	6 Å²	6	35.1 Å²	35.1	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-52.5	-40.6	-175.7	0	0	0	0	0	113.7	A531 H536 S537 A559 L562 K563 F566	A531-A533 VanDerWaalsContact C-N 3.33Å; A531-A533 PolarHBondContact O-N 3.1Å; A533-H536 PolarHBondContact O-N 3.17Å; A533-S537 PolarHBondContact O-N 2.93Å; A533-A559 WeakPolarHBondContact O-CB 3.18Å; A533-L562 HydrophobicContact CB-CB 3.88Å; A533-K563 HydrophobicContact CB-CB 3.6Å; A533-K563 HydrophobicContact CB-CD 3.96Å; A533-K563 HydrophobicContact CB-CG 4.48Å; A533-F566 HydrophobicContact CB-CD1 4.46Å; A533-F566 HydrophobicContact CB-CE1 4.38Å
534	D	93.5	Very high	94.9	Very high	46 Å²	46	32.5 Å²	32.5	25%	0.246	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-39.2	-179.5	-58.8	-91.2	0	0	0	111.7	F532 H536 S537 N538 K563 F566	F532-D534 VanDerWaalsContact C-N 3.26Å; F532-D534 HydrophobicContact CD2-CB 4.24Å; F532-D534 HydrophobicContact CE2-CB 3.99Å; F532-D534 PolarHBondContact O-N 3.49Å; D534-H536 PolarHBondContact O-N 2.91Å; D534-S537 WeakPolarHBondContact O-CB 3.12Å; D534-S537 PolarHBondContact O-N 2.79Å; D534-N538 PolarHBondContact O-N 3.45Å; D534-N538 PolarHBondContact O-ND2 3.11Å; D534-N538 PolarHBondContact O-OD1 2.94Å; D534-K563 IonicContact OD1-NZ 3.08Å; D534-K563 PolarHBondContact OD1-NZ 3.2Å; D534-K563 IonicContact OD2-NZ 3.13Å; D534-K563 PolarHBondContact OD2-NZ 3.12Å; D534-F566 HydrophobicContact CB-CZ 4.36Å; D534-F566 WeakPolarHBondContact OD1-CZ 3.47Å
535	A	95.4	Very high	94.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-38.6	173.3	0	0	0	0	0	112.9	A525 I526 F532 S537 N538 L539	A525-A535 HydrophobicContact CB-CB 4.12Å; I526-A535 HydrophobicContact CD1-CB 4.44Å; I526-A535 HydrophobicContact CG1-CB 3.9Å; F532-A535 HydrophobicContact CB-CB 4.13Å; F532-A535 HydrophobicContact CD1-CB 3.72Å; F532-A535 HydrophobicContact CD2-CB 4.36Å; F532-A535 HydrophobicContact CE1-CB 4.25Å; F532-A535 HydrophobicContact CG-CB 3.79Å; F532-A535 PolarHBondContact O-N 3.3Å; F532-A535 VanDerWaalsContact O-N 3.09Å; A535-S537 VanDerWaalsContact C-N 3.34Å; A535-S537 PolarHBondContact O-N 3.11Å; A535-N538 PolarHBondContact O-N 2.89Å; A535-L539 WeakPolarHBondContact O-CB 3.38Å; A535-L539 PolarHBondContact O-N 3.15Å
536	H	97.3	Very high	93.5	Very high	22 Å²	22	32.5 Å²	32.5	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-40.6	171.7	-75.7	-82	0	0	0	112	P530 F532 A533 D534 A540 A559	P530-H536 PolarHBondContact O-NE2 2.74Å; F532-H536 PolarHBondContact O-CD2 3.13Å; F532-H536 PolarHBondContact O-N 3.09Å; A533-H536 PolarHBondContact O-N 3.17Å; D534-H536 PolarHBondContact O-N 2.91Å; H536-A540 VanDerWaalsContact O-CB 3.28Å; H536-A540 WeakPolarHBondContact O-CB 3.37Å; H536-A540 PolarHBondContact O-N 3.15Å; H536-A559 HydrophobicContact CB-CB 3.94Å
537	S	96.4	Very high	92.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176.5	-167.7	0	0	0	0	112.5	A533 D534 A535 A540 S541	A533-S537 PolarHBondContact O-N 2.93Å; D534-S537 WeakPolarHBondContact O-CB 3.12Å; D534-S537 PolarHBondContact O-N 2.79Å; A535-S537 VanDerWaalsContact C-N 3.34Å; A535-S537 PolarHBondContact O-N 3.11Å; S537-A540 WeakPolarHBondContact O-CB 3.47Å; S537-A540 PolarHBondContact O-N 3.42Å; S537-S541 PolarHBondContact O-N 2.84Å
538	N	93.1	Very high	92.5	Very high	16 Å²	16	29.7 Å²	29.7	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-41.7	177.9	-57.8	-17	0	0	0	111.8	Y6 S503 N507 Y522 D534 A535 S541 I542	Y6-N538 VanDerWaalsContact OH-CA 3.22Å; Y6-N538 WeakPolarHBondContact OH-CA 3.49Å; Y6-N538 PolarHBondContact OH-OD1 2.86Å; S503-N538 PolarHBondContact OG-ND2 2.74Å; N507-N538 PolarHBondContact OD1-ND2 3.3Å; Y522-N538 HydrophobicContact CD1-CB 3.88Å; Y522-N538 HydrophobicContact CD2-CB 4.26Å; Y522-N538 HydrophobicContact CE1-CB 3.47Å; Y522-N538 VanDerWaalsContact CE1-CB 3.47Å; Y522-N538 HydrophobicContact CE2-CB 3.87Å; Y522-N538 HydrophobicContact CG-CB 4.28Å; Y522-N538 VanDerWaalsContact CZ-CB 3.49Å; D534-N538 PolarHBondContact O-N 3.45Å; D534-N538 PolarHBondContact O-ND2 3.11Å; D534-N538 PolarHBondContact O-OD1 2.94Å; A535-N538 PolarHBondContact O-N 2.89Å; N538-S541 PolarHBondContact O-N 3.23Å; N538-I542 PolarHBondContact O-N 2.92Å
539	L	95.1	Very high	92.2	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-47.3	171.1	-178.4	61.1	0	0	0	111.7	I519 Y522 N523 I526 A535 S541 I542 H543	I519-L539 HydrophobicContact CB-CD1 4.34Å; I519-L539 HydrophobicContact CG1-CD1 4.08Å; I519-L539 HydrophobicContact CG2-CD1 4.03Å; Y522-L539 HydrophobicContact CD2-CB 4.13Å; Y522-L539 HydrophobicContact CD2-CD1 4.42Å; Y522-L539 HydrophobicContact CG-CB 4.39Å; N523-L539 WeakPolarHBondContact OD1-CD2 3.19Å; I526-L539 HydrophobicContact CD1-CD2 3.8Å; A535-L539 WeakPolarHBondContact O-CB 3.38Å; A535-L539 PolarHBondContact O-N 3.15Å; L539-S541 PolarHBondContact O-N 3.03Å; L539-I542 PolarHBondContact O-N 3.4Å; L539-H543 PolarHBondContact O-CD2 3.15Å; L539-H543 VanDerWaalsContact O-CD2 3.23Å; L539-H543 PolarHBondContact O-N 2.92Å; L539-H543 VanDerWaalsContact O-N 3.08Å
540	A	95.4	Very high	92	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.3	-38.7	177.8	0	0	0	0	0	112.6	H536 S537 H543 K544 A552 S555 Y556	H536-A540 VanDerWaalsContact O-CB 3.28Å; H536-A540 WeakPolarHBondContact O-CB 3.37Å; H536-A540 PolarHBondContact O-N 3.15Å; S537-A540 WeakPolarHBondContact O-CB 3.47Å; S537-A540 PolarHBondContact O-N 3.42Å; A540-H543 PolarHBondContact O-N 3.15Å; A540-K544 WeakPolarHBondContact O-CB 3.33Å; A540-K544 PolarHBondContact O-N 2.97Å; A540-A552 WeakPolarHBondContact O-CB 3.4Å; A540-S555 VanDerWaalsContact CB-CB 3.46Å; A540-Y556 HydrophobicContact CB-CD1 3.5Å; A540-Y556 VanDerWaalsContact CB-CD1 3.5Å; A540-Y556 HydrophobicContact CB-CD2 3.59Å; A540-Y556 HydrophobicContact CB-CE1 3.56Å; A540-Y556 HydrophobicContact CB-CE2 3.64Å; A540-Y556 HydrophobicContact CB-CG 3.49Å; A540-Y556 VanDerWaalsContact CB-CG 3.49Å
541	S	91.2	Very high	92	Very high	1 Å²	1	27 Å²	27	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-39.6	176.2	-176.6	0	0	0	0	112.7	Y6 K510 S537 N538 L539 H543 K544 D545 Y556	Y6-S541 VanDerWaalsContact CE1-OG 3.25Å; Y6-S541 WeakPolarHBondContact CE1-OG 3.47Å; K510-S541 PolarHBondContact NZ-OG 2.9Å; S537-S541 PolarHBondContact O-N 2.84Å; N538-S541 PolarHBondContact O-N 3.23Å; L539-S541 PolarHBondContact O-N 3.03Å; S541-H543 VanDerWaalsContact C-N 3.33Å; S541-K544 PolarHBondContact O-N 3.47Å; S541-D545 VanDerWaalsContact O-CB 3.31Å; S541-D545 WeakPolarHBondContact O-CB 3.32Å; S541-D545 PolarHBondContact O-N 3.02Å; S541-D545 VanDerWaalsContact O-OD2 3.07Å; S541-D545 PolarHBondContact OG-OD2 3.18Å; S541-Y556 WeakPolarHBondContact CA-OH 3.43Å; S541-Y556 WeakPolarHBondContact CB-OH 3.47Å; S541-Y556 PolarHBondContact N-OH 3.33Å
542	I	90.6	Very high	92	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-40.6	176.1	-61.6	-169	0	0	0	110.3	K510 A518 I519 Y522 N538 L539 K544 D545 A546	K510-I542 HydrophobicContact CB-CD1 4.2Å; K510-I542 HydrophobicContact CD-CD1 4.09Å; K510-I542 HydrophobicContact CD-CG1 3.81Å; K510-I542 HydrophobicContact CG-CD1 3.96Å; K510-I542 HydrophobicContact CG-CG1 4.13Å; A518-I542 HydrophobicContact CB-CD1 3.44Å; A518-I542 VanDerWaalsContact CB-CD1 3.44Å; I519-I542 HydrophobicContact CD1-CG2 3.72Å; I519-I542 HydrophobicContact CG1-CB 4.27Å; I519-I542 HydrophobicContact CG1-CD1 4.33Å; I519-I542 HydrophobicContact CG1-CG2 3.8Å; Y522-I542 HydrophobicContact CD2-CD1 4.31Å; Y522-I542 HydrophobicContact CE2-CD1 3.58Å; Y522-I542 HydrophobicContact CE2-CG1 4.13Å; N538-I542 PolarHBondContact O-N 2.92Å; L539-I542 PolarHBondContact O-N 3.4Å; I542-K544 VanDerWaalsContact C-N 3.35Å; I542-K544 PolarHBondContact O-N 2.92Å; I542-D545 PolarHBondContact O-N 2.87Å; I542-A546 VanDerWaalsContact O-CB 3.25Å; I542-A546 WeakPolarHBondContact O-CB 3.34Å; I542-A546 PolarHBondContact O-N 2.68Å
543	H	91.6	Very high	92	Very high	31 Å²	31	24.3 Å²	24.3	14%	0.144	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-44.6	173.6	-73.9	-69.4	0	0	0	112.2	L539 A540 S541 A546 G547 N548 E551 A552	L539-H543 PolarHBondContact O-CD2 3.15Å; L539-H543 VanDerWaalsContact O-CD2 3.23Å; L539-H543 PolarHBondContact O-N 2.92Å; L539-H543 VanDerWaalsContact O-N 3.08Å; A540-H543 PolarHBondContact O-N 3.15Å; S541-H543 VanDerWaalsContact C-N 3.33Å; H543-A546 CarbonylContact O-C 3.46Å; H543-A546 PolarHBondContact O-N 2.94Å; H543-G547 PolarHBondContact O-N 2.9Å; H543-N548 HydrophobicContact CB-CB 4.09Å; H543-N548 WeakPolarHBondContact O-CA 3.43Å; H543-N548 PolarHBondContact O-N 2.75Å; H543-E551 HydrophobicContact CB-CB 4.02Å; H543-A552 HydrophobicContact CB-CB 3.89Å
544	K	89.7	Confident	92	Very high	13 Å²	13	30.4 Å²	30.4	6%	0.057	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-47.5	174.6	-172.9	-162.5	72.7	-179.3	0	111.5	A540 S541 I542 A546 G547 M549 A552 N572	A540-K544 WeakPolarHBondContact O-CB 3.33Å; A540-K544 PolarHBondContact O-N 2.97Å; S541-K544 PolarHBondContact O-N 3.47Å; I542-K544 VanDerWaalsContact C-N 3.35Å; I542-K544 PolarHBondContact O-N 2.92Å; K544-A546 PolarHBondContact O-N 3.47Å; K544-G547 PolarHBondContact O-N 3.04Å; K544-G547 VanDerWaalsContact O-N 3.16Å; K544-M549 HydrophobicContact CG-CE 4.37Å; K544-M549 HydrophobicContact CG-SD 4.42Å; K544-M549 WeakPolarHBondContact O-CE 3.31Å; K544-A552 HydrophobicContact CB-CB 3.95Å; K544-N572 PolarHBondContact NZ-OD1 3.36Å
545	D	80.9	Confident	92.2	Very high	37 Å²	37	29 Å²	29	20%	0.198	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-18.4	-177.4	-58.8	-17.8	0	0	0	112.2	Y10 K510 S541 I542	Y10-D545 WeakPolarHBondContact CE2-O 3.43Å; K510-D545 VanDerWaalsContact CE-OD2 3.3Å; K510-D545 WeakPolarHBondContact CE-OD2 3.25Å; K510-D545 IonicContact NZ-OD2 3.35Å; K510-D545 PolarHBondContact NZ-OD2 3.34Å; S541-D545 VanDerWaalsContact O-CB 3.31Å; S541-D545 WeakPolarHBondContact O-CB 3.32Å; S541-D545 PolarHBondContact O-N 3.02Å; S541-D545 VanDerWaalsContact O-OD2 3.07Å; S541-D545 PolarHBondContact OG-OD2 3.18Å; I542-D545 PolarHBondContact O-N 2.87Å
546	A	83.9	Confident	92.3	Very high	59 Å²	59	29 Å²	29	49%	0.488	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.4	174.3	0	0	0	0	0	114.6	I542 H543 K544 N548	I542-A546 VanDerWaalsContact O-CB 3.25Å; I542-A546 WeakPolarHBondContact O-CB 3.34Å; I542-A546 PolarHBondContact O-N 2.68Å; H543-A546 CarbonylContact O-C 3.46Å; H543-A546 PolarHBondContact O-N 2.94Å; K544-A546 PolarHBondContact O-N 3.47Å; A546-N548 VanDerWaalsContact C-N 3.35Å
547	G	84.1	Confident	92.3	Very high	20 Å²	20	29.6 Å²	29.6	21%	0.206	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-2.7	-179.2	0	0	0	0	0	115.4	Y10 H543 K544 M549	Y10-G547 VanDerWaalsContact OH-CA 3.3Å; Y10-G547 WeakPolarHBondContact OH-CA 3.24Å; H543-G547 PolarHBondContact O-N 2.9Å; K544-G547 PolarHBondContact O-N 3.04Å; K544-G547 VanDerWaalsContact O-N 3.16Å; G547-M549 VanDerWaalsContact C-N 3.26Å; G547-M549 PolarHBondContact O-N 3.04Å
548	N	90.3	Very high	92.3	Very high	75 Å²	75	31.6 Å²	31.6	40%	0.401	19%	0.186	S	C	.	.			trans	-80.9	69.4	-178.2	-66.8	-21.9	0	0	0	110.5	H543 A546 A550 E551 A552	H543-N548 HydrophobicContact CB-CB 4.09Å; H543-N548 WeakPolarHBondContact O-CA 3.43Å; H543-N548 PolarHBondContact O-N 2.75Å; A546-N548 VanDerWaalsContact C-N 3.35Å; N548-A550 VanDerWaalsContact C-N 3.34Å; N548-A550 PolarHBondContact O-N 2.94Å; N548-E551 WeakPolarHBondContact CB-OE2 3.38Å; N548-A552 WeakPolarHBondContact O-CB 3.14Å; N548-A552 PolarHBondContact O-N 3.22Å
549	M	90.5	Very high	92.5	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-31.6	-169.1	-65.6	-63.9	155.3	0	0	113.7	K544 G547 I553 I579 I580	K544-M549 HydrophobicContact CG-CE 4.37Å; K544-M549 HydrophobicContact CG-SD 4.42Å; K544-M549 WeakPolarHBondContact O-CE 3.31Å; G547-M549 VanDerWaalsContact C-N 3.26Å; G547-M549 PolarHBondContact O-N 3.04Å; M549-I553 WeakPolarHBondContact O-CB 3.39Å; M549-I553 WeakPolarHBondContact O-CD1 3.48Å; M549-I553 WeakPolarHBondContact O-CG1 3.47Å; M549-I553 PolarHBondContact O-N 2.91Å; M549-I579 HydrophobicContact CE-CD1 4.15Å; M549-I579 HydrophobicContact CE-CG2 4.02Å; M549-I579 HydrophobicContact CG-CG2 4.27Å; M549-I579 HydrophobicContact SD-CD1 4.39Å; M549-I579 HydrophobicContact SD-CG2 3.89Å; M549-I580 HydrophobicContact CB-CG2 3.93Å; M549-I580 HydrophobicContact CG-CG2 4.11Å
550	A	92.1	Very high	92.6	Very high	54 Å²	54	31.7 Å²	31.7	45%	0.446	19%	0.186	S	C	.	.	H	α-helix	trans	-68.5	-48.6	-179.3	0	0	0	0	0	111.2	N548 I553 Q554	N548-A550 VanDerWaalsContact C-N 3.34Å; N548-A550 PolarHBondContact O-N 2.94Å; A550-I553 PolarHBondContact O-N 3.48Å; A550-Q554 WeakPolarHBondContact O-CB 3.41Å; A550-Q554 PolarHBondContact O-N 3.28Å
551	E	93.8	Very high	92.7	Very high	85 Å²	85	39.8 Å²	39.8	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-42.6	175.9	-63.4	76.9	-175.5	0	0	110.7	H543 N548 I553 Q554 S555	H543-E551 HydrophobicContact CB-CB 4.02Å; N548-E551 WeakPolarHBondContact CB-OE2 3.38Å; E551-I553 PolarHBondContact O-N 3.43Å; E551-Q554 PolarHBondContact O-N 3.06Å; E551-S555 WeakPolarHBondContact O-CB 3.5Å; E551-S555 PolarHBondContact O-N 2.87Å; E551-S555 PolarHBondContact O-OG 3.27Å; E551-S555 VanDerWaalsContact O-OG 3.12Å
552	A	95.1	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-48.4	174.7	0	0	0	0	0	112.1	A540 H543 K544 N548 S555 Y556	A540-A552 WeakPolarHBondContact O-CB 3.4Å; H543-A552 HydrophobicContact CB-CB 3.89Å; K544-A552 HydrophobicContact CB-CB 3.95Å; N548-A552 WeakPolarHBondContact O-CB 3.14Å; N548-A552 PolarHBondContact O-N 3.22Å; A552-S555 PolarHBondContact O-N 3.4Å; A552-Y556 WeakPolarHBondContact O-CB 3.48Å; A552-Y556 WeakPolarHBondContact O-CD2 3.45Å; A552-Y556 PolarHBondContact O-N 3.01Å
553	I	96.1	Very high	93.2	Very high	28 Å²	28	46.7 Å²	46.7	14%	0.144	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-43.3	178.8	-73.9	167.6	0	0	0	110.9	M549 A550 E551 S557 L573 C576 I580	M549-I553 WeakPolarHBondContact O-CB 3.39Å; M549-I553 WeakPolarHBondContact O-CD1 3.48Å; M549-I553 WeakPolarHBondContact O-CG1 3.47Å; M549-I553 PolarHBondContact O-N 2.91Å; A550-I553 PolarHBondContact O-N 3.48Å; E551-I553 PolarHBondContact O-N 3.43Å; I553-S557 WeakPolarHBondContact O-CB 3.34Å; I553-S557 PolarHBondContact O-N 3.11Å; I553-S557 PolarHBondContact O-OG 2.85Å; I553-L573 HydrophobicContact CB-CD1 4.2Å; I553-L573 HydrophobicContact CG1-CD1 4.01Å; I553-L573 HydrophobicContact CG2-CD1 4.02Å; I553-C576 HydrophobicContact CD1-CB 4.05Å; I553-C576 HydrophobicContact CG1-CB 3.6Å; I553-I580 HydrophobicContact CD1-CD1 3.4Å; I553-I580 HydrophobicContact CD1-CG1 4.18Å
554	Q	96.6	Very high	93.3	Very high	134 Å²	134	49.7 Å²	49.7	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-62	-46.5	177	-177.5	178.2	-3.8	0	0	112	A550 E551 S557 T558	A550-Q554 WeakPolarHBondContact O-CB 3.41Å; A550-Q554 PolarHBondContact O-N 3.28Å; E551-Q554 PolarHBondContact O-N 3.06Å; Q554-S557 PolarHBondContact O-N 3.21Å; Q554-T558 WeakPolarHBondContact O-CB 3.45Å; Q554-T558 PolarHBondContact O-N 3.43Å; Q554-T558 PolarHBondContact O-OG1 3.48Å
555	S	96.4	Very high	93.5	Very high	15 Å²	15	55.6 Å²	55.6	11%	0.105	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-43.6	-178.6	-65.1	0	0	0	0	112.2	A540 E551 A552 S557 T558 A559	A540-S555 VanDerWaalsContact CB-CB 3.46Å; E551-S555 WeakPolarHBondContact O-CB 3.5Å; E551-S555 PolarHBondContact O-N 2.87Å; E551-S555 PolarHBondContact O-OG 3.27Å; E551-S555 VanDerWaalsContact O-OG 3.12Å; A552-S555 PolarHBondContact O-N 3.4Å; S555-S557 PolarHBondContact O-N 3.32Å; S555-T558 PolarHBondContact O-N 3.14Å; S555-A559 PolarHBondContact O-N 3.22Å
556	Y	97.6	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-40.4	172.5	-75.5	-54.3	0	0	0	112.3	A540 S541 A552 T558 A559 L560 A569 N572 L573	A540-Y556 HydrophobicContact CB-CD1 3.5Å; A540-Y556 VanDerWaalsContact CB-CD1 3.5Å; A540-Y556 HydrophobicContact CB-CD2 3.59Å; A540-Y556 HydrophobicContact CB-CE1 3.56Å; A540-Y556 HydrophobicContact CB-CE2 3.64Å; A540-Y556 HydrophobicContact CB-CG 3.49Å; A540-Y556 VanDerWaalsContact CB-CG 3.49Å; S541-Y556 WeakPolarHBondContact CA-OH 3.43Å; S541-Y556 WeakPolarHBondContact CB-OH 3.47Å; S541-Y556 PolarHBondContact N-OH 3.33Å; A552-Y556 WeakPolarHBondContact O-CB 3.48Å; A552-Y556 WeakPolarHBondContact O-CD2 3.45Å; A552-Y556 PolarHBondContact O-N 3.01Å; Y556-T558 PolarHBondContact O-N 2.6Å; Y556-A559 PolarHBondContact O-N 3.47Å; Y556-L560 WeakPolarHBondContact O-CG 3.13Å; Y556-L560 PolarHBondContact O-N 2.87Å; Y556-A569 HydrophobicContact CD1-CB 4Å; Y556-N572 HydrophobicContact CD1-CB 4.37Å; Y556-N572 HydrophobicContact CD2-CB 4.38Å; Y556-N572 HydrophobicContact CE1-CB 3.69Å; Y556-N572 HydrophobicContact CE2-CB 3.7Å; Y556-N572 WeakPolarHBondContact OH-CB 3.24Å; Y556-L573 HydrophobicContact CG-CB 4.38Å
557	S	97	Very high	94.7	Very high	36 Å²	36	53 Å²	53	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-33.6	175	-63.9	0	0	0	0	112	I553 Q554 S555 K561	I553-S557 WeakPolarHBondContact O-CB 3.34Å; I553-S557 PolarHBondContact O-N 3.11Å; I553-S557 PolarHBondContact O-OG 2.85Å; Q554-S557 PolarHBondContact O-N 3.21Å; S555-S557 PolarHBondContact O-N 3.32Å; S557-K561 VanDerWaalsContact O-CG 3.27Å; S557-K561 WeakPolarHBondContact O-CG 3.44Å; S557-K561 PolarHBondContact O-N 2.95Å; S557-K561 VanDerWaalsContact O-N 3.09Å
558	T	97.3	Very high	95	Very high	42 Å²	42	53.8 Å²	53.8	26%	0.258	29%	0.287	S	S	.	.	H	α-helix	trans	-73.4	-45	176.5	-57.1	0	0	0	0	110.9	Q554 S555 Y556 L560 K561 L562	Q554-T558 WeakPolarHBondContact O-CB 3.45Å; Q554-T558 PolarHBondContact O-N 3.43Å; Q554-T558 PolarHBondContact O-OG1 3.48Å; S555-T558 PolarHBondContact O-N 3.14Å; Y556-T558 PolarHBondContact O-N 2.6Å; T558-L560 VanDerWaalsContact C-N 3.29Å; T558-L560 PolarHBondContact O-N 3.39Å; T558-K561 PolarHBondContact O-N 3.31Å; T558-K561 VanDerWaalsContact O-N 3.17Å; T558-L562 HydrophobicContact CG2-CD1 4.21Å; T558-L562 WeakPolarHBondContact O-CG 3.14Å; T558-L562 PolarHBondContact O-N 2.86Å
559	A	97.2	Very high	95.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.7	-43.3	172.5	0	0	0	0	0	112.3	A533 H536 S555 Y556 L562 K563 F566 A569	A533-A559 WeakPolarHBondContact O-CB 3.18Å; H536-A559 HydrophobicContact CB-CB 3.94Å; S555-A559 PolarHBondContact O-N 3.22Å; Y556-A559 PolarHBondContact O-N 3.47Å; A559-L562 PolarHBondContact O-N 3.01Å; A559-K563 PolarHBondContact O-N 3.31Å; A559-F566 HydrophobicContact CB-CD1 4.24Å; A559-F566 HydrophobicContact CB-CE1 4.29Å; A559-A569 HydrophobicContact CB-CB 4.29Å
560	L	96.9	Very high	95.5	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-73.7	-27.1	178.7	-72.7	163	0	0	0	114.2	Y556 T558 K563 P564 F566 A569 Y570 L573	Y556-L560 WeakPolarHBondContact O-CG 3.13Å; Y556-L560 PolarHBondContact O-N 2.87Å; T558-L560 VanDerWaalsContact C-N 3.29Å; T558-L560 PolarHBondContact O-N 3.39Å; L560-K563 CarbonylContact O-C 3.26Å; L560-P564 VanDerWaalsContact O-CA 3.3Å; L560-P564 WeakPolarHBondContact O-CA 3.32Å; L560-F566 HydrophobicContact CD2-CB 4.07Å; L560-A569 HydrophobicContact CD1-CB 4.47Å; L560-A569 HydrophobicContact CD2-CB 4.12Å; L560-A569 HydrophobicContact CG-CB 3.97Å; L560-Y570 HydrophobicContact CD1-CD2 4.18Å; L560-Y570 HydrophobicContact CD2-CD2 4.32Å; L560-L573 HydrophobicContact CD1-CB 4.31Å; L560-L573 HydrophobicContact CD1-CD2 3.52Å
561	K	97.5	Very high	95.7	Very high	171 Å²	171	49 Å²	49	74%	0.743	25%	0.252	S	S	*	.	H	α-helix	trans	-68.5	-38.9	170.1	-77.4	168.4	177.7	176.6	0	111.5	S557 T558	S557-K561 VanDerWaalsContact O-CG 3.27Å; S557-K561 WeakPolarHBondContact O-CG 3.44Å; S557-K561 PolarHBondContact O-N 2.95Å; S557-K561 VanDerWaalsContact O-N 3.09Å; T558-K561 PolarHBondContact O-N 3.31Å; T558-K561 VanDerWaalsContact O-N 3.17Å
562	L	96.5	Very high	95.7	Very high	74 Å²	74	45.7 Å²	45.7	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-75	-36.6	178.1	-65.9	169.4	0	0	0	112.3	A531 A533 T558 A559	A531-L562 HydrophobicContact CB-CD2 4.18Å; A533-L562 HydrophobicContact CB-CB 3.88Å; T558-L562 HydrophobicContact CG2-CD1 4.21Å; T558-L562 WeakPolarHBondContact O-CG 3.14Å; T558-L562 PolarHBondContact O-N 2.86Å; A559-L562 PolarHBondContact O-N 3.01Å
563	K	96	Very high	95.7	Very high	74 Å²	74	46.5 Å²	46.5	32%	0.322	24%	0.242	S	C	.	.			trans	-137.6	87.3	-176.1	-171.6	179.3	177.5	-179.9	0	109.6	A533 D534 A559 L560 D565 F566	A533-K563 HydrophobicContact CB-CB 3.6Å; A533-K563 HydrophobicContact CB-CD 3.96Å; A533-K563 HydrophobicContact CB-CG 4.48Å; D534-K563 IonicContact OD1-NZ 3.08Å; D534-K563 PolarHBondContact OD1-NZ 3.2Å; D534-K563 IonicContact OD2-NZ 3.13Å; D534-K563 PolarHBondContact OD2-NZ 3.12Å; A559-K563 PolarHBondContact O-N 3.31Å; L560-K563 CarbonylContact O-C 3.26Å; K563-D565 VanDerWaalsContact C-N 3.3Å; K563-D565 PolarHBondContact O-N 3.24Å; K563-F566 HydrophobicContact CB-CB 4.34Å; K563-F566 HydrophobicContact CB-CD1 4.32Å; K563-F566 HydrophobicContact CD-CB 4.17Å; K563-F566 HydrophobicContact CD-CD1 3.8Å; K563-F566 HydrophobicContact CD-CE1 4.26Å; K563-F566 HydrophobicContact CD-CG 3.98Å; K563-F566 HydrophobicContact CG-CB 4.05Å; K563-F566 HydrophobicContact CG-CD1 4.38Å; K563-F566 HydrophobicContact CG-CG 4.4Å; K563-F566 VanDerWaalsContact O-CB 3.27Å; K563-F566 WeakPolarHBondContact O-CB 3.4Å
564	P	94.5	Very high	95.7	Very high	95 Å²	95	45.4 Å²	45.4	62%	0.617	24%	0.237	S	C	*	.	S	Bend	trans	-63.9	-30	-175.3	-26.9	36.7	0	0	0	114.9	L560 F566	L560-P564 VanDerWaalsContact O-CA 3.3Å; L560-P564 WeakPolarHBondContact O-CA 3.32Å; P564-F566 PolarHBondContact O-N 2.91Å
565	D	92.9	Very high	95.6	Very high	136 Å²	136	39.5 Å²	39.5	73%	0.727	21%	0.21	S	C	*	.	S	Bend	trans	-91.3	74.7	168.4	-172.4	23.8	0	0	0	110.1	K563	K563-D565 VanDerWaalsContact C-N 3.3Å; K563-D565 PolarHBondContact O-N 3.24Å
566	F	94.5	Very high	95.5	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.057	21%	0.205	C	C	.	.			trans	-131.6	82.2	174.8	-162	175.3	0	0	0	110.8	A533 D534 A559 L560 K563 P564 D568 A569 Y570	A533-F566 HydrophobicContact CB-CD1 4.46Å; A533-F566 HydrophobicContact CB-CE1 4.38Å; D534-F566 HydrophobicContact CB-CZ 4.36Å; D534-F566 WeakPolarHBondContact OD1-CZ 3.47Å; A559-F566 HydrophobicContact CB-CD1 4.24Å; A559-F566 HydrophobicContact CB-CE1 4.29Å; L560-F566 HydrophobicContact CD2-CB 4.07Å; K563-F566 HydrophobicContact CB-CB 4.34Å; K563-F566 HydrophobicContact CB-CD1 4.32Å; K563-F566 HydrophobicContact CD-CB 4.17Å; K563-F566 HydrophobicContact CD-CD1 3.8Å; K563-F566 HydrophobicContact CD-CE1 4.26Å; K563-F566 HydrophobicContact CD-CG 3.98Å; K563-F566 HydrophobicContact CG-CB 4.05Å; K563-F566 HydrophobicContact CG-CD1 4.38Å; K563-F566 HydrophobicContact CG-CG 4.4Å; K563-F566 VanDerWaalsContact O-CB 3.27Å; K563-F566 WeakPolarHBondContact O-CB 3.4Å; P564-F566 PolarHBondContact O-N 2.91Å; F566-D568 VanDerWaalsContact C-N 3.33Å; F566-D568 HydrophobicContact CD2-CB 4.34Å; F566-D568 HydrophobicContact CE2-CB 4.07Å; F566-D568 PolarHBondContact O-N 2.84Å; F566-A569 HydrophobicContact CB-CB 4.14Å; F566-A569 HydrophobicContact CD1-CB 3.62Å; F566-A569 HydrophobicContact CD2-CB 4.23Å; F566-A569 HydrophobicContact CE1-CB 4.08Å; F566-A569 HydrophobicContact CG-CB 3.71Å; F566-A569 PolarHBondContact O-N 2.72Å; F566-Y570 PolarHBondContact O-N 3.18Å
567	P	94.9	Very high	95.4	Very high	30 Å²	30	40 Å²	40	20%	0.195	21%	0.21	C	C	.	.	H	α-helix	trans	-48.4	-45.7	-178.7	-34.9	39.8	0	0	0	115.3	Y570 C571 I596 Q600 S608	P567-Y570 PolarHBondContact O-N 3.18Å; P567-C571 PolarHBondContact O-N 2.92Å; P567-C571 PolarHBondContact O-SG 3.27Å; P567-I596 HydrophobicContact CB-CG2 3.75Å; P567-I596 HydrophobicContact CG-CG2 4.42Å; P567-Q600 VanDerWaalsContact CB-NE2 3.3Å; P567-S608 WeakPolarHBondContact CB-OG 3.02Å
568	D	91.4	Very high	95.3	Very high	35 Å²	35	38.4 Å²	38.4	19%	0.187	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-44.2	-177.1	-58	-62.6	0	0	0	112.5	F566 Y570 N572 S608	F566-D568 VanDerWaalsContact C-N 3.33Å; F566-D568 HydrophobicContact CD2-CB 4.34Å; F566-D568 HydrophobicContact CE2-CB 4.07Å; F566-D568 PolarHBondContact O-N 2.84Å; D568-Y570 VanDerWaalsContact C-N 3.33Å; D568-N572 WeakPolarHBondContact O-CB 3.4Å; D568-N572 PolarHBondContact O-N 3.29Å; D568-N572 VanDerWaalsContact O-N 3.1Å; D568-N572 PolarHBondContact O-ND2 2.68Å; D568-S608 WeakPolarHBondContact CA-OG 3.37Å; D568-S608 VanDerWaalsContact CG-OG 3.28Å; D568-S608 PolarHBondContact N-OG 3.44Å; D568-S608 VanDerWaalsContact OD1-CB 3.29Å; D568-S608 WeakPolarHBondContact OD1-CB 3.29Å; D568-S608 PolarHBondContact OD1-OG 3.21Å
569	A	94.9	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-38.7	174.1	0	0	0	0	0	111.4	Y556 A559 L560 F566 L573	Y556-A569 HydrophobicContact CD1-CB 4Å; A559-A569 HydrophobicContact CB-CB 4.29Å; L560-A569 HydrophobicContact CD1-CB 4.47Å; L560-A569 HydrophobicContact CD2-CB 4.12Å; L560-A569 HydrophobicContact CG-CB 3.97Å; F566-A569 HydrophobicContact CB-CB 4.14Å; F566-A569 HydrophobicContact CD1-CB 3.62Å; F566-A569 HydrophobicContact CD2-CB 4.23Å; F566-A569 HydrophobicContact CE1-CB 4.08Å; F566-A569 HydrophobicContact CG-CB 3.71Å; F566-A569 PolarHBondContact O-N 2.72Å; A569-L573 VanDerWaalsContact O-CB 3.23Å; A569-L573 WeakPolarHBondContact O-CB 3.25Å; A569-L573 PolarHBondContact O-N 2.86Å
570	Y	97.1	Very high	95	Very high	29 Å²	29	37.6 Å²	37.6	11%	0.114	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-48.7	179.3	-168	-94.5	0	0	0	112.9	L560 F566 P567 D568 L573 A574 R589 K592 I596	L560-Y570 HydrophobicContact CD1-CD2 4.18Å; L560-Y570 HydrophobicContact CD2-CD2 4.32Å; F566-Y570 PolarHBondContact O-N 3.18Å; P567-Y570 PolarHBondContact O-N 3.18Å; D568-Y570 VanDerWaalsContact C-N 3.33Å; Y570-L573 PolarHBondContact O-N 3.34Å; Y570-A574 WeakPolarHBondContact O-CB 3.34Å; Y570-A574 PolarHBondContact O-N 2.92Å; Y570-R589 WeakPolarHBondContact OH-CA 3.19Å; Y570-K592 HydrophobicContact CD1-CD 4.38Å; Y570-K592 HydrophobicContact CD1-CG 4.24Å; Y570-K592 HydrophobicContact CD2-CD 4.46Å; Y570-K592 HydrophobicContact CE1-CB 3.87Å; Y570-K592 HydrophobicContact CE1-CD 3.78Å; Y570-K592 HydrophobicContact CE1-CG 3.6Å; Y570-K592 HydrophobicContact CE2-CD 3.9Å; Y570-I596 HydrophobicContact CD1-CD1 3.44Å; Y570-I596 VanDerWaalsContact CD1-CD1 3.44Å; Y570-I596 HydrophobicContact CE1-CD1 4.15Å; Y570-I596 HydrophobicContact CG-CD1 4.01Å
571	C	95.5	Very high	95	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-67.1	-38.1	179.9	-69	0	0	0	0	111.9	P567 H575 V609	P567-C571 PolarHBondContact O-N 2.92Å; P567-C571 PolarHBondContact O-SG 3.27Å; C571-H575 PolarHBondContact O-N 3.16Å; C571-V609 HydrophobicContact CB-CG2 4.17Å
572	N	94	Very high	94.9	Very high	16 Å²	16	29.3 Å²	29.3	9%	0.086	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-41.7	174	-79.1	-74.6	0	0	0	112.3	K544 Y556 D568 A574 H575 C576	K544-N572 PolarHBondContact NZ-OD1 3.36Å; Y556-N572 HydrophobicContact CD1-CB 4.37Å; Y556-N572 HydrophobicContact CD2-CB 4.38Å; Y556-N572 HydrophobicContact CE1-CB 3.69Å; Y556-N572 HydrophobicContact CE2-CB 3.7Å; Y556-N572 WeakPolarHBondContact OH-CB 3.24Å; D568-N572 WeakPolarHBondContact O-CB 3.4Å; D568-N572 PolarHBondContact O-N 3.29Å; D568-N572 VanDerWaalsContact O-N 3.1Å; D568-N572 PolarHBondContact O-ND2 2.68Å; N572-A574 PolarHBondContact O-N 3.17Å; N572-H575 WeakPolarHBondContact O-CB 3.48Å; N572-H575 PolarHBondContact O-N 2.92Å; N572-H575 VanDerWaalsContact O-N 3.15Å; N572-C576 PolarHBondContact O-N 3.16Å; N572-C576 PolarHBondContact O-SG 2.72Å
573	L	95.7	Very high	94.9	Very high	17 Å²	17	26.9 Å²	26.9	9%	0.089	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-45.1	174.4	-179.6	57.5	0	0	0	111.7	I553 Y556 L560 A569 Y570 H575 C576 H577	I553-L573 HydrophobicContact CB-CD1 4.2Å; I553-L573 HydrophobicContact CG1-CD1 4.01Å; I553-L573 HydrophobicContact CG2-CD1 4.02Å; Y556-L573 HydrophobicContact CG-CB 4.38Å; L560-L573 HydrophobicContact CD1-CB 4.31Å; L560-L573 HydrophobicContact CD1-CD2 3.52Å; A569-L573 VanDerWaalsContact O-CB 3.23Å; A569-L573 WeakPolarHBondContact O-CB 3.25Å; A569-L573 PolarHBondContact O-N 2.86Å; Y570-L573 PolarHBondContact O-N 3.34Å; L573-H575 PolarHBondContact O-N 3.27Å; L573-C576 WeakPolarHBondContact O-CB 3.14Å; L573-C576 PolarHBondContact O-N 2.98Å; L573-C576 VanDerWaalsContact O-N 3.1Å; L573-H577 WeakPolarHBondContact CD1-NE2 3.31Å; L573-H577 PolarHBondContact O-CD2 2.92Å; L573-H577 PolarHBondContact O-N 3.33Å
574	A	95.4	Very high	94.7	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-33.5	175.5	0	0	0	0	0	112.6	Y570 N572 Q578 R589 L593	Y570-A574 WeakPolarHBondContact O-CB 3.34Å; Y570-A574 PolarHBondContact O-N 2.92Å; N572-A574 PolarHBondContact O-N 3.17Å; A574-Q578 PolarHBondContact O-N 2.99Å; A574-Q578 VanDerWaalsContact O-N 3.11Å; A574-R589 HydrophobicContact CB-CG 3.77Å; A574-L593 HydrophobicContact CB-CD1 3.93Å
575	H	93.7	Very high	94.7	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-71.6	-40.2	172.2	-169.5	71.8	0	0	0	112.7	C571 N572 L573 H577 Q578 I579 H613 Y617	C571-H575 PolarHBondContact O-N 3.16Å; N572-H575 WeakPolarHBondContact O-CB 3.48Å; N572-H575 PolarHBondContact O-N 2.92Å; N572-H575 VanDerWaalsContact O-N 3.15Å; L573-H575 PolarHBondContact O-N 3.27Å; H575-H577 PolarHBondContact O-N 3.39Å; H575-Q578 WeakPolarHBondContact O-CB 3.22Å; H575-Q578 PolarHBondContact O-N 2.93Å; H575-Q578 VanDerWaalsContact O-N 3.17Å; H575-I579 WeakPolarHBondContact NE2-CD1 3.35Å; H575-I579 WeakPolarHBondContact O-CG1 3.27Å; H575-I579 PolarHBondContact O-N 3.37Å; H575-H613 AromaticContact CD2-CE1 3.7Å; H575-H613 AromaticContact CD2-ND1 3.86Å; H575-H613 AromaticContact CE1-CD2 3.53Å; H575-H613 AromaticContact CE1-CE1 3.67Å; H575-H613 AromaticContact CE1-CG 3.47Å; H575-H613 VanDerWaalsContact CE1-CG 3.47Å; H575-H613 AromaticContact CE1-ND1 3.55Å; H575-H613 AromaticContact CE1-NE2 3.7Å; H575-H613 AromaticContact CG-ND1 3.84Å; H575-H613 AromaticContact ND1-CG 3.73Å; H575-H613 AromaticContact ND1-ND1 3.65Å; H575-H613 AromaticContact NE2-CD2 3.83Å; H575-H613 AromaticContact NE2-CE1 3.35Å; H575-H613 PolarHBondContact NE2-CE1 3.18Å; H575-H613 VanDerWaalsContact NE2-CE1 3.35Å; H575-H613 AromaticContact NE2-CG 3.96Å; H575-H613 AromaticContact NE2-ND1 3.66Å; H575-H613 AromaticContact NE2-NE2 3.49Å; H575-H613 PolarHBondContact NE2-NE2 2.94Å; H575-Y617 WeakPolarHBondContact CA-OH 3.48Å; H575-Y617 WeakPolarHBondContact CB-OH 3.44Å; H575-Y617 PolarHBondContact ND1-OH 3.37Å; H575-Y617 VanDerWaalsContact ND1-OH 3.16Å
576	C	94.6	Very high	94.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-46.5	172.6	-63.5	0	0	0	0	111.6	I553 N572 L573 Q578 I579 I580	I553-C576 HydrophobicContact CD1-CB 4.05Å; I553-C576 HydrophobicContact CG1-CB 3.6Å; N572-C576 PolarHBondContact O-N 3.16Å; N572-C576 PolarHBondContact O-SG 2.72Å; L573-C576 WeakPolarHBondContact O-CB 3.14Å; L573-C576 PolarHBondContact O-N 2.98Å; L573-C576 VanDerWaalsContact O-N 3.1Å; C576-Q578 VanDerWaalsContact C-N 3.29Å; C576-Q578 PolarHBondContact O-N 3.2Å; C576-I579 WeakPolarHBondContact O-CB 3.31Å; C576-I579 PolarHBondContact O-N 2.76Å; C576-I579 VanDerWaalsContact O-N 3.13Å; C576-I580 WeakPolarHBondContact O-CG1 3.22Å; C576-I580 PolarHBondContact O-N 2.91Å; C576-I580 VanDerWaalsContact O-N 3.09Å
577	H	96	Very high	94.8	Very high	24 Å²	24	26.4 Å²	26.4	11%	0.111	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-34.5	175	-70.4	-73.5	0	0	0	112.7	L573 H575 C581 D582 R589	L573-H577 WeakPolarHBondContact CD1-NE2 3.31Å; L573-H577 PolarHBondContact O-CD2 2.92Å; L573-H577 PolarHBondContact O-N 3.33Å; H575-H577 PolarHBondContact O-N 3.39Å; H577-C581 PolarHBondContact O-N 2.67Å; H577-C581 VanDerWaalsContact O-N 3.15Å; H577-D582 HydrophobicContact CB-CB 4.19Å; H577-D582 IonicContact CE1-OD2 2.86Å; H577-D582 PolarHBondContact CE1-OD2 2.67Å; H577-D582 IonicContact CG-OD2 2.75Å; H577-D582 IonicContact ND1-OD2 3.07Å; H577-D582 PolarHBondContact ND1-OD2 2.93Å; H577-D582 PolarHBondContact O-N 3.2Å; H577-R589 VanDerWaalsContact CB-CZ 3.49Å
578	Q	94.9	Very high	94.9	Very high	3 Å²	3	32 Å²	32	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-41.4	172.6	-176.2	58.2	27	0	0	111.8	A574 H575 C576 I580 C581 Y956 I958	A574-Q578 PolarHBondContact O-N 2.99Å; A574-Q578 VanDerWaalsContact O-N 3.11Å; H575-Q578 WeakPolarHBondContact O-CB 3.22Å; H575-Q578 PolarHBondContact O-N 2.93Å; H575-Q578 VanDerWaalsContact O-N 3.17Å; C576-Q578 VanDerWaalsContact C-N 3.29Å; C576-Q578 PolarHBondContact O-N 3.2Å; Q578-I580 VanDerWaalsContact C-N 3.33Å; Q578-I580 PolarHBondContact O-N 3.41Å; Q578-C581 PolarHBondContact O-N 3.36Å; Q578-Y956 PolarHBondContact NE2-O 3.4Å; Q578-I958 PolarHBondContact NE2-O 2.88Å
579	I	92.7	Very high	95.1	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.072	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-39.8	177.6	-77.5	169.6	0	0	0	112.3	M549 H575 C576 P984	M549-I579 HydrophobicContact CE-CD1 4.15Å; M549-I579 HydrophobicContact CE-CG2 4.02Å; M549-I579 HydrophobicContact CG-CG2 4.27Å; M549-I579 HydrophobicContact SD-CD1 4.39Å; M549-I579 HydrophobicContact SD-CG2 3.89Å; H575-I579 WeakPolarHBondContact NE2-CD1 3.35Å; H575-I579 WeakPolarHBondContact O-CG1 3.27Å; H575-I579 PolarHBondContact O-N 3.37Å; C576-I579 WeakPolarHBondContact O-CB 3.31Å; C576-I579 PolarHBondContact O-N 2.76Å; C576-I579 VanDerWaalsContact O-N 3.13Å; I579-P984 HydrophobicContact CG2-CG 3.63Å; I579-P984 WeakPolarHBondContact O-CD 3.43Å
580	I	95	Very high	95.2	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.056	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	11.3	-179.1	69.3	164.5	0	0	0	114.1	M549 I553 C576 Q578 D582 P984 Q986 G987 H990	M549-I580 HydrophobicContact CB-CG2 3.93Å; M549-I580 HydrophobicContact CG-CG2 4.11Å; I553-I580 HydrophobicContact CD1-CD1 3.4Å; I553-I580 HydrophobicContact CD1-CG1 4.18Å; C576-I580 WeakPolarHBondContact O-CG1 3.22Å; C576-I580 PolarHBondContact O-N 2.91Å; C576-I580 VanDerWaalsContact O-N 3.09Å; Q578-I580 VanDerWaalsContact C-N 3.33Å; Q578-I580 PolarHBondContact O-N 3.41Å; I580-D582 HydrophobicContact CD1-CB 4Å; I580-D582 HydrophobicContact CG1-CB 3.93Å; I580-D582 PolarHBondContact O-N 3.31Å; I580-D582 VanDerWaalsContact O-N 3.15Å; I580-P984 HydrophobicContact CG2-CG 4.21Å; I580-Q986 HydrophobicContact CB-CB 4.18Å; I580-Q986 HydrophobicContact CG2-CB 3.92Å; I580-G987 WeakPolarHBondContact O-CA 3.32Å; I580-H990 PolarHBondContact O-ND1 3.41Å
581	C	96.6	Very high	95.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	26.6	-176.6	-60.3	0	0	0	0	115.7	H577 Q578 W583 L955 H990 I991	H577-C581 PolarHBondContact O-N 2.67Å; H577-C581 VanDerWaalsContact O-N 3.15Å; Q578-C581 PolarHBondContact O-N 3.36Å; C581-W583 HydrophobicContact CB-CH2 4.37Å; C581-W583 HydrophobicContact CB-CZ2 3.73Å; C581-W583 PolarHBondContact O-N 2.98Å; C581-W583 VanDerWaalsContact O-N 3.15Å; C581-L955 PolarHBondContact SG-O 3.01Å; C581-H990 HydrophobicContact CB-CB 4.27Å; C581-H990 WeakPolarHBondContact O-CB 3.41Å; C581-I991 HydrophobicContact CB-CD1 4.39Å; C581-I991 HydrophobicContact CB-CG1 3.95Å
582	D	96.2	Very high	95.2	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.112	19%	0.194	C	C	.	.			trans	-77.8	101.9	174.2	175.9	0.3	0	0	0	109.8	H577 I580 N584 R589	H577-D582 HydrophobicContact CB-CB 4.19Å; H577-D582 IonicContact CE1-OD2 2.86Å; H577-D582 PolarHBondContact CE1-OD2 2.67Å; H577-D582 IonicContact CG-OD2 2.75Å; H577-D582 IonicContact ND1-OD2 3.07Å; H577-D582 PolarHBondContact ND1-OD2 2.93Å; H577-D582 PolarHBondContact O-N 3.2Å; I580-D582 HydrophobicContact CD1-CB 4Å; I580-D582 HydrophobicContact CG1-CB 3.93Å; I580-D582 PolarHBondContact O-N 3.31Å; I580-D582 VanDerWaalsContact O-N 3.15Å; D582-N584 PolarHBondContact OD1-N 3.12Å; D582-N584 PolarHBondContact OD1-ND2 2.86Å; D582-R589 VanDerWaalsContact O-CZ 3.29Å; D582-R589 PolarHBondContact O-NH1 3.45Å; D582-R589 PolarHBondContact O-NH2 3.22Å
583	W	95.5	Very high	95.3	Very high	23 Å²	23	40.8 Å²	40.8	9%	0.087	19%	0.19	C	C	.	.			trans	-106.8	13.1	-174.9	-54.9	-33.1	0	0	0	114.2	C581 D585 Y586 I958 P960 L963 Y994	C581-W583 HydrophobicContact CB-CH2 4.37Å; C581-W583 HydrophobicContact CB-CZ2 3.73Å; C581-W583 PolarHBondContact O-N 2.98Å; C581-W583 VanDerWaalsContact O-N 3.15Å; W583-D585 PolarHBondContact O-N 3.02Å; W583-Y586 AromaticContact CD1-CD2 3.72Å; W583-Y586 HydrophobicContact CG-CD2 4.26Å; W583-Y586 WeakPolarHBondContact O-CB 3.38Å; W583-Y586 PolarHBondContact O-N 3.22Å; W583-I958 HydrophobicContact CH2-CG2 3.79Å; W583-I958 HydrophobicContact CZ2-CB 4.37Å; W583-I958 HydrophobicContact CZ2-CG2 4.09Å; W583-I958 WeakPolarHBondContact CZ2-O 3.45Å; W583-P960 HydrophobicContact CB-CG 4.02Å; W583-P960 HydrophobicContact CD2-CG 3.67Å; W583-P960 HydrophobicContact CE3-CB 4.28Å; W583-P960 HydrophobicContact CE3-CG 3.86Å; W583-P960 HydrophobicContact CG-CG 3.74Å; W583-L963 HydrophobicContact CH2-CB 4.02Å; W583-L963 HydrophobicContact CH2-CD2 3.94Å; W583-L963 HydrophobicContact CZ3-CB 4.04Å; W583-L963 HydrophobicContact CZ3-CD2 3.74Å; W583-Y994 HydrophobicContact CE3-CD1 4.35Å; W583-Y994 AromaticContact CE3-CD2 3.51Å; W583-Y994 HydrophobicContact CE3-CD2 3.51Å; W583-Y994 HydrophobicContact CE3-CE1 4.35Å; W583-Y994 AromaticContact CE3-CE2 3.5Å; W583-Y994 HydrophobicContact CE3-CE2 3.5Å; W583-Y994 VanDerWaalsContact CE3-CE2 3.5Å; W583-Y994 AromaticContact CE3-CG 3.91Å; W583-Y994 HydrophobicContact CE3-CG 3.91Å; W583-Y994 AromaticContact CE3-CZ 3.92Å; W583-Y994 AromaticContact CZ3-CD1 3.94Å; W583-Y994 HydrophobicContact CZ3-CD1 3.94Å; W583-Y994 AromaticContact CZ3-CD2 3.95Å; W583-Y994 HydrophobicContact CZ3-CD2 3.95Å; W583-Y994 AromaticContact CZ3-CE1 3.96Å; W583-Y994 HydrophobicContact CZ3-CE1 3.96Å; W583-Y994 AromaticContact CZ3-CE2 3.96Å; W583-Y994 HydrophobicContact CZ3-CE2 3.96Å; W583-Y994 AromaticContact CZ3-CG 3.9Å; W583-Y994 HydrophobicContact CZ3-CG 3.9Å; W583-Y994 AromaticContact CZ3-CZ 3.94Å
584	N	92.3	Very high	95.3	Very high	113 Å²	113	41 Å²	41	60%	0.604	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-29	-174.5	-68.9	-66.8	0	0	0	114	D582 K993	D582-N584 PolarHBondContact OD1-N 3.12Å; D582-N584 PolarHBondContact OD1-ND2 2.86Å; N584-K993 PolarHBondContact OD1-NZ 3.45Å
585	D	94.2	Very high	95.4	Very high	65 Å²	65	47.2 Å²	47.2	35%	0.348	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	24.2	174.2	83.4	-34	0	0	0	114.5	W583 D587 K588 R589	W583-D585 PolarHBondContact O-N 3.02Å; D585-D587 PolarHBondContact O-N 3.49Å; D585-K588 WeakPolarHBondContact O-CB 3.42Å; D585-K588 PolarHBondContact O-N 2.89Å; D585-R589 WeakPolarHBondContact O-CB 3.37Å; D585-R589 PolarHBondContact O-N 2.92Å; D585-R589 WeakPolarHBondContact OD1-CD 3.24Å; D585-R589 IonicContact OD1-CZ 3.61Å; D585-R589 IonicContact OD1-NE 3.63Å; D585-R589 IonicContact OD1-NH1 2.71Å; D585-R589 PolarHBondContact OD1-NH1 3Å
586	Y	95.3	Very high	95.5	Very high	29 Å²	29	47.7 Å²	47.7	11%	0.114	22%	0.223	C	C	.	.	H	α-helix	trans	-42.7	-58.6	-167.8	-176.6	-95	0	0	0	114.7	W583 K588 R589 V590 P960	W583-Y586 AromaticContact CD1-CD2 3.72Å; W583-Y586 HydrophobicContact CG-CD2 4.26Å; W583-Y586 WeakPolarHBondContact O-CB 3.38Å; W583-Y586 PolarHBondContact O-N 3.22Å; Y586-K588 VanDerWaalsContact C-N 3.32Å; Y586-K588 PolarHBondContact O-N 3.04Å; Y586-R589 WeakPolarHBondContact O-CB 3.33Å; Y586-R589 PolarHBondContact O-N 3.17Å; Y586-R589 VanDerWaalsContact O-N 3.15Å; Y586-V590 HydrophobicContact CD1-CG2 4.26Å; Y586-V590 HydrophobicContact CD2-CG2 4.26Å; Y586-V590 HydrophobicContact CE1-CG2 3.98Å; Y586-V590 HydrophobicContact CE2-CG2 3.98Å; Y586-V590 HydrophobicContact CG-CG2 4.39Å; Y586-V590 WeakPolarHBondContact O-CB 3.23Å; Y586-V590 WeakPolarHBondContact O-CG2 3.45Å; Y586-V590 PolarHBondContact O-N 2.94Å; Y586-P960 HydrophobicContact CD1-CG 3.83Å; Y586-P960 HydrophobicContact CD2-CG 4.01Å; Y586-P960 HydrophobicContact CE1-CG 4.11Å; Y586-P960 HydrophobicContact CE2-CG 4.28Å; Y586-P960 HydrophobicContact CG-CG 3.78Å
587	D	95.3	Very high	95.5	Very high	102 Å²	102	47.7 Å²	47.7	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-62.4	-37.9	-176.3	-67.6	-31.2	0	0	0	113.2	D585 R591	D585-D587 PolarHBondContact O-N 3.49Å; D587-R591 WeakPolarHBondContact O-CB 3.4Å; D587-R591 VanDerWaalsContact O-CG 3.28Å; D587-R591 WeakPolarHBondContact O-CG 3.15Å; D587-R591 PolarHBondContact O-N 3.37Å; D587-R591 PolarHBondContact O-NE 3.4Å
588	K	96.7	Very high	95.5	Very high	146 Å²	146	51.9 Å²	51.9	64%	0.635	24%	0.243	S	C	*	.	H	α-helix	trans	-67	-42.9	177.6	-177.9	-176.2	177.4	-175.2	0	109.9	D585 Y586 K592	D585-K588 WeakPolarHBondContact O-CB 3.42Å; D585-K588 PolarHBondContact O-N 2.89Å; Y586-K588 VanDerWaalsContact C-N 3.32Å; Y586-K588 PolarHBondContact O-N 3.04Å; K588-K592 PolarHBondContact O-N 3.08Å; K588-K592 VanDerWaalsContact O-N 3.08Å
589	R	96	Very high	95.5	Very high	10 Å²	10	55 Å²	55	4%	0.038	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-45.8	-178.9	-169.2	173.1	69.6	-137.7	10.8	112.5	Y570 A574 H577 D582 D585 Y586 K592 L593	Y570-R589 WeakPolarHBondContact OH-CA 3.19Å; A574-R589 HydrophobicContact CB-CG 3.77Å; H577-R589 VanDerWaalsContact CB-CZ 3.49Å; D582-R589 VanDerWaalsContact O-CZ 3.29Å; D582-R589 PolarHBondContact O-NH1 3.45Å; D582-R589 PolarHBondContact O-NH2 3.22Å; D585-R589 WeakPolarHBondContact O-CB 3.37Å; D585-R589 PolarHBondContact O-N 2.92Å; D585-R589 WeakPolarHBondContact OD1-CD 3.24Å; D585-R589 IonicContact OD1-CZ 3.61Å; D585-R589 IonicContact OD1-NE 3.63Å; D585-R589 IonicContact OD1-NH1 2.71Å; D585-R589 PolarHBondContact OD1-NH1 3Å; Y586-R589 WeakPolarHBondContact O-CB 3.33Å; Y586-R589 PolarHBondContact O-N 3.17Å; Y586-R589 VanDerWaalsContact O-N 3.15Å; R589-K592 PolarHBondContact O-N 3.35Å; R589-L593 WeakPolarHBondContact O-CB 3.19Å; R589-L593 PolarHBondContact O-N 3.42Å
590	V	95.6	Very high	95.6	Very high	15 Å²	15	54.9 Å²	54.9	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-45.4	176.5	173.3	0	0	0	0	111.2	Y586 K592 L593 V594 P618	Y586-V590 HydrophobicContact CD1-CG2 4.26Å; Y586-V590 HydrophobicContact CD2-CG2 4.26Å; Y586-V590 HydrophobicContact CE1-CG2 3.98Å; Y586-V590 HydrophobicContact CE2-CG2 3.98Å; Y586-V590 HydrophobicContact CG-CG2 4.39Å; Y586-V590 WeakPolarHBondContact O-CB 3.23Å; Y586-V590 WeakPolarHBondContact O-CG2 3.45Å; Y586-V590 PolarHBondContact O-N 2.94Å; V590-K592 PolarHBondContact O-N 2.88Å; V590-L593 PolarHBondContact O-N 3.29Å; V590-V594 WeakPolarHBondContact O-CG2 3.36Å; V590-V594 PolarHBondContact O-N 3.21Å; V590-P618 HydrophobicContact CG1-CG 3.46Å; V590-P618 VanDerWaalsContact CG1-CG 3.46Å
591	R	96.7	Very high	95.5	Very high	163 Å²	163	56.1 Å²	56.1	62%	0.615	27%	0.265	S	S	*	.	H	α-helix	trans	-58	-44.7	175.1	-77.9	-175.4	-68.4	-109.9	-1	112.5	D587 V594 Q595	D587-R591 WeakPolarHBondContact O-CB 3.4Å; D587-R591 VanDerWaalsContact O-CG 3.28Å; D587-R591 WeakPolarHBondContact O-CG 3.15Å; D587-R591 PolarHBondContact O-N 3.37Å; D587-R591 PolarHBondContact O-NE 3.4Å; R591-V594 PolarHBondContact O-N 3.2Å; R591-Q595 PolarHBondContact O-N 3.07Å
592	K	96.6	Very high	95.3	Very high	81 Å²	81	61.1 Å²	61.1	35%	0.352	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-37.7	176.9	-179.9	170	167	-174.5	0	112.2	Y570 K588 R589 V590 Q595 I596	Y570-K592 HydrophobicContact CD1-CD 4.38Å; Y570-K592 HydrophobicContact CD1-CG 4.24Å; Y570-K592 HydrophobicContact CD2-CD 4.46Å; Y570-K592 HydrophobicContact CE1-CB 3.87Å; Y570-K592 HydrophobicContact CE1-CD 3.78Å; Y570-K592 HydrophobicContact CE1-CG 3.6Å; Y570-K592 HydrophobicContact CE2-CD 3.9Å; K588-K592 PolarHBondContact O-N 3.08Å; K588-K592 VanDerWaalsContact O-N 3.08Å; R589-K592 PolarHBondContact O-N 3.35Å; V590-K592 PolarHBondContact O-N 2.88Å; K592-Q595 PolarHBondContact O-N 3.42Å; K592-I596 HydrophobicContact CG-CD1 3.94Å; K592-I596 HydrophobicContact CG-CG1 4.47Å; K592-I596 VanDerWaalsContact O-CG1 3.29Å; K592-I596 WeakPolarHBondContact O-CG1 3.36Å; K592-I596 PolarHBondContact O-N 3.47Å
593	L	95.8	Very high	95.1	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-44.8	175	178.2	154.3	0	0	0	111.8	A574 R589 V590 I596 V597 V609 Y617	A574-L593 HydrophobicContact CB-CD1 3.93Å; R589-L593 WeakPolarHBondContact O-CB 3.19Å; R589-L593 PolarHBondContact O-N 3.42Å; V590-L593 PolarHBondContact O-N 3.29Å; L593-I596 PolarHBondContact O-N 2.9Å; L593-V597 HydrophobicContact CD2-CG2 4.48Å; L593-V597 WeakPolarHBondContact O-CG2 3.39Å; L593-V597 PolarHBondContact O-N 2.91Å; L593-V597 VanDerWaalsContact O-N 3.09Å; L593-V609 HydrophobicContact CD1-CG2 4.24Å; L593-V609 HydrophobicContact CD2-CG2 3.9Å; L593-V609 HydrophobicContact CG-CG2 4.03Å; L593-Y617 HydrophobicContact CD1-CD1 4.14Å; L593-Y617 HydrophobicContact CD1-CD2 4.23Å; L593-Y617 HydrophobicContact CD1-CE1 3.85Å; L593-Y617 HydrophobicContact CD1-CE2 3.93Å; L593-Y617 HydrophobicContact CD1-CG 4.34Å; L593-Y617 HydrophobicContact CD2-CD1 4.16Å; L593-Y617 HydrophobicContact CD2-CD2 3.83Å; L593-Y617 HydrophobicContact CD2-CE2 4.35Å; L593-Y617 HydrophobicContact CD2-CG 3.73Å
594	V	96.6	Very high	94.7	Very high	23 Å²	23	72.3 Å²	72.3	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176	173.6	0	0	0	0	110.6	V590 R591 I596 V597 E598 P618 L619	V590-V594 WeakPolarHBondContact O-CG2 3.36Å; V590-V594 PolarHBondContact O-N 3.21Å; R591-V594 PolarHBondContact O-N 3.2Å; V594-I596 VanDerWaalsContact C-N 3.31Å; V594-I596 PolarHBondContact O-N 3.11Å; V594-V597 PolarHBondContact O-N 3.44Å; V594-V597 VanDerWaalsContact O-N 3.14Å; V594-E598 HydrophobicContact CG1-CG 4.38Å; V594-E598 WeakPolarHBondContact O-CG 3.49Å; V594-E598 PolarHBondContact O-N 2.99Å; V594-P618 HydrophobicContact CG2-CG 4.23Å; V594-L619 HydrophobicContact CB-CD2 4.45Å; V594-L619 HydrophobicContact CG1-CD2 4.32Å; V594-L619 HydrophobicContact CG2-CD2 4.06Å
595	Q	96.5	Very high	94.4	Very high	134 Å²	134	74.1 Å²	74.1	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-58.2	-40.4	177.3	-173.2	-176	8.7	0	0	112.8	R591 K592 E598 D599	R591-Q595 PolarHBondContact O-N 3.07Å; K592-Q595 PolarHBondContact O-N 3.42Å; Q595-E598 PolarHBondContact O-N 2.86Å; Q595-D599 WeakPolarHBondContact O-CB 3.43Å; Q595-D599 PolarHBondContact O-N 3.37Å
596	I	96.3	Very high	94	Very high	22 Å²	22	73.6 Å²	73.6	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-46.3	175.8	-75.8	164.5	0	0	0	111	P567 Y570 K592 L593 V594 D599 Q600	P567-I596 HydrophobicContact CB-CG2 3.75Å; P567-I596 HydrophobicContact CG-CG2 4.42Å; Y570-I596 HydrophobicContact CD1-CD1 3.44Å; Y570-I596 VanDerWaalsContact CD1-CD1 3.44Å; Y570-I596 HydrophobicContact CE1-CD1 4.15Å; Y570-I596 HydrophobicContact CG-CD1 4.01Å; K592-I596 HydrophobicContact CG-CD1 3.94Å; K592-I596 HydrophobicContact CG-CG1 4.47Å; K592-I596 VanDerWaalsContact O-CG1 3.29Å; K592-I596 WeakPolarHBondContact O-CG1 3.36Å; K592-I596 PolarHBondContact O-N 3.47Å; L593-I596 PolarHBondContact O-N 2.9Å; V594-I596 VanDerWaalsContact C-N 3.31Å; V594-I596 PolarHBondContact O-N 3.11Å; I596-D599 PolarHBondContact O-N 3.41Å; I596-Q600 HydrophobicContact CG2-CG 4.44Å; I596-Q600 WeakPolarHBondContact O-CB 3.46Å; I596-Q600 VanDerWaalsContact O-CG 3.24Å; I596-Q600 WeakPolarHBondContact O-CG 3.4Å; I596-Q600 PolarHBondContact O-N 2.9Å
597	V	95.4	Very high	93.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-44.6	179	169.4	0	0	0	0	111	L593 V594 Q600 L601 V609 L619 I627	L593-V597 HydrophobicContact CD2-CG2 4.48Å; L593-V597 WeakPolarHBondContact O-CG2 3.39Å; L593-V597 PolarHBondContact O-N 2.91Å; L593-V597 VanDerWaalsContact O-N 3.09Å; V594-V597 PolarHBondContact O-N 3.44Å; V594-V597 VanDerWaalsContact O-N 3.14Å; V597-Q600 PolarHBondContact O-N 2.94Å; V597-L601 HydrophobicContact CG1-CD1 3.82Å; V597-L601 HydrophobicContact CG1-CG 4.33Å; V597-L601 WeakPolarHBondContact O-CB 3.34Å; V597-L601 VanDerWaalsContact O-CG 3.25Å; V597-L601 WeakPolarHBondContact O-CG 3.36Å; V597-L601 PolarHBondContact O-N 2.96Å; V597-V609 HydrophobicContact CG2-CB 3.95Å; V597-V609 HydrophobicContact CG2-CG2 3.48Å; V597-V609 VanDerWaalsContact CG2-CG2 3.48Å; V597-L619 HydrophobicContact CB-CD2 4.14Å; V597-L619 HydrophobicContact CG1-CD2 3.93Å; V597-L619 HydrophobicContact CG2-CD2 4.44Å; V597-I627 HydrophobicContact CG1-CD1 3.94Å; V597-I627 HydrophobicContact CG1-CG1 4.26Å
598	E	95.1	Very high	93.7	Very high	112 Å²	112	68.3 Å²	68.3	52%	0.523	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-45	177.8	-71.1	175.8	164.4	0	0	112.1	V594 Q595 L601 C602	V594-E598 HydrophobicContact CG1-CG 4.38Å; V594-E598 WeakPolarHBondContact O-CG 3.49Å; V594-E598 PolarHBondContact O-N 2.99Å; Q595-E598 PolarHBondContact O-N 2.86Å; E598-L601 PolarHBondContact O-N 3.36Å; E598-C602 VanDerWaalsContact O-CB 3.25Å; E598-C602 WeakPolarHBondContact O-CB 3.4Å; E598-C602 PolarHBondContact O-N 3.2Å
599	D	95.5	Very high	93.5	Very high	68 Å²	68	61.6 Å²	61.6	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-45.2	175.9	-179.2	77.9	0	0	0	112.4	Q595 I596 C602 K603	Q595-D599 WeakPolarHBondContact O-CB 3.43Å; Q595-D599 PolarHBondContact O-N 3.37Å; I596-D599 PolarHBondContact O-N 3.41Å; D599-C602 PolarHBondContact O-N 2.8Å; D599-K603 WeakPolarHBondContact O-CB 3.35Å; D599-K603 WeakPolarHBondContact O-CG 3.24Å; D599-K603 PolarHBondContact O-N 3.24Å; D599-K603 WeakPolarHBondContact OD1-CE 3.44Å; D599-K603 IonicContact OD1-NZ 3.74Å; D599-K603 PolarHBondContact OD1-NZ 3.43Å; D599-K603 WeakPolarHBondContact OD2-CD 3.45Å; D599-K603 WeakPolarHBondContact OD2-CE 3.48Å; D599-K603 IonicContact OD2-NZ 3.05Å; D599-K603 PolarHBondContact OD2-NZ 3.19Å
600	Q	94.3	Very high	93.2	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-44.1	178	-74.4	175.3	-34.4	0	0	112.1	P567 I596 V597 K603 K604 R605 S608	P567-Q600 VanDerWaalsContact CB-NE2 3.3Å; I596-Q600 HydrophobicContact CG2-CG 4.44Å; I596-Q600 WeakPolarHBondContact O-CB 3.46Å; I596-Q600 VanDerWaalsContact O-CG 3.24Å; I596-Q600 WeakPolarHBondContact O-CG 3.4Å; I596-Q600 PolarHBondContact O-N 2.9Å; V597-Q600 PolarHBondContact O-N 2.94Å; Q600-K603 CarbonylContact O-C 3.41Å; Q600-K603 PolarHBondContact O-N 3.45Å; Q600-K604 PolarHBondContact O-N 3.2Å; Q600-K604 VanDerWaalsContact O-N 3.14Å; Q600-R605 HydrophobicContact CB-CB 4.36Å; Q600-R605 PolarHBondContact O-N 3.18Å; Q600-S608 PolarHBondContact NE2-OG 3.44Å
601	L	92.4	Very high	93.1	Very high	36 Å²	36	61.6 Å²	61.6	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-44.7	176.6	-73.8	175.9	0	0	0	111.6	V597 E598 K603 K604 P607 A623 A626	V597-L601 HydrophobicContact CG1-CD1 3.82Å; V597-L601 HydrophobicContact CG1-CG 4.33Å; V597-L601 WeakPolarHBondContact O-CB 3.34Å; V597-L601 VanDerWaalsContact O-CG 3.25Å; V597-L601 WeakPolarHBondContact O-CG 3.36Å; V597-L601 PolarHBondContact O-N 2.96Å; E598-L601 PolarHBondContact O-N 3.36Å; L601-K603 VanDerWaalsContact C-N 3.35Å; L601-K603 PolarHBondContact O-N 3.43Å; L601-K604 WeakPolarHBondContact O-CA 3.34Å; L601-K604 PolarHBondContact O-N 3.45Å; L601-P607 HydrophobicContact CD2-CG 3.5Å; L601-P607 VanDerWaalsContact CD2-CG 3.5Å; L601-P607 HydrophobicContact CG-CG 3.97Å; L601-A623 HydrophobicContact CD1-CB 4.08Å; L601-A626 HydrophobicContact CD1-CB 3.98Å; L601-A626 HydrophobicContact CD2-CB 3.6Å; L601-A626 HydrophobicContact CG-CB 4.42Å
602	C	93.3	Very high	92.8	Very high	108 Å²	108	54.2 Å²	54.2	73%	0.73	26%	0.261	S	S	*	.	H	α-helix	trans	-58.4	-45.3	174.9	-175.3	0	0	0	0	111.6	E598 D599 K604	E598-C602 VanDerWaalsContact O-CB 3.25Å; E598-C602 WeakPolarHBondContact O-CB 3.4Å; E598-C602 PolarHBondContact O-N 3.2Å; D599-C602 PolarHBondContact O-N 2.8Å; C602-K604 PolarHBondContact O-N 3.17Å; C602-K604 VanDerWaalsContact O-N 3.15Å
603	K	91.5	Very high	92.5	Very high	111 Å²	111	51.1 Å²	51.1	48%	0.483	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	8.3	174.7	-67	172.2	-174.8	161.4	0	113.9	D599 Q600 L601 R605	D599-K603 WeakPolarHBondContact O-CB 3.35Å; D599-K603 WeakPolarHBondContact O-CG 3.24Å; D599-K603 PolarHBondContact O-N 3.24Å; D599-K603 WeakPolarHBondContact OD1-CE 3.44Å; D599-K603 IonicContact OD1-NZ 3.74Å; D599-K603 PolarHBondContact OD1-NZ 3.43Å; D599-K603 WeakPolarHBondContact OD2-CD 3.45Å; D599-K603 WeakPolarHBondContact OD2-CE 3.48Å; D599-K603 IonicContact OD2-NZ 3.05Å; D599-K603 PolarHBondContact OD2-NZ 3.19Å; Q600-K603 CarbonylContact O-C 3.41Å; Q600-K603 PolarHBondContact O-N 3.45Å; L601-K603 VanDerWaalsContact C-N 3.35Å; L601-K603 PolarHBondContact O-N 3.43Å; K603-R605 HydrophobicContact CB-CG 4.12Å; K603-R605 PolarHBondContact O-N 3.07Å
604	K	88.1	Confident	92.4	Very high	167 Å²	167	51.1 Å²	51.1	73%	0.726	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	18.4	-178.1	-58.1	-177	-177.2	179.9	0	115	Q600 L601 C602 K630	Q600-K604 PolarHBondContact O-N 3.2Å; Q600-K604 VanDerWaalsContact O-N 3.14Å; L601-K604 WeakPolarHBondContact O-CA 3.34Å; L601-K604 PolarHBondContact O-N 3.45Å; C602-K604 PolarHBondContact O-N 3.17Å; C602-K604 VanDerWaalsContact O-N 3.15Å; K604-K630 PolarHBondContact O-NZ 3.42Å
605	R	85.6	Confident	92.1	Very high	151 Å²	151	50.5 Å²	50.5	57%	0.57	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-73.4	169	177.6	-64.8	-177.6	176.2	-175.5	-2.4	110.9	Q600 K603 P607	Q600-R605 HydrophobicContact CB-CB 4.36Å; Q600-R605 PolarHBondContact O-N 3.18Å; K603-R605 HydrophobicContact CB-CG 4.12Å; K603-R605 PolarHBondContact O-N 3.07Å; R605-P607 WeakPolarHBondContact O-CD 3.43Å
606	L	86.2	Confident	92	Very high	55 Å²	55	44.2 Å²	44.2	29%	0.288	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-71.6	127.4	164.8	-176.4	66.4	0	0	0	108	K630 L634	L606-K630 HydrophobicContact CD1-CB 3.99Å; L606-L634 HydrophobicContact CD1-CD1 3.71Å; L606-L634 HydrophobicContact CD2-CD1 3.84Å; L606-L634 HydrophobicContact CG-CD1 4.39Å
607	P	91.8	Very high	91.9	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.032	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69.9	142.5	176.3	-24	37.3	0	0	0	112.3	L601 R605 V609 I627	L601-P607 HydrophobicContact CD2-CG 3.5Å; L601-P607 VanDerWaalsContact CD2-CG 3.5Å; L601-P607 HydrophobicContact CG-CG 3.97Å; R605-P607 WeakPolarHBondContact O-CD 3.43Å; P607-V609 PolarHBondContact O-N 3.26Å; P607-I627 HydrophobicContact CB-CG1 3.92Å; P607-I627 HydrophobicContact CG-CG1 3.87Å
608	S	92.1	Very high	91.8	Very high	15 Å²	15	47.7 Å²	47.7	11%	0.105	24%	0.237	C	C	.	.	S	Bend	trans	-70.8	-10.6	176.7	-64.6	0	0	0	0	114	P567 D568 Q600	P567-S608 WeakPolarHBondContact CB-OG 3.02Å; D568-S608 WeakPolarHBondContact CA-OG 3.37Å; D568-S608 VanDerWaalsContact CG-OG 3.28Å; D568-S608 PolarHBondContact N-OG 3.44Å; D568-S608 VanDerWaalsContact OD1-CB 3.29Å; D568-S608 WeakPolarHBondContact OD1-CB 3.29Å; D568-S608 PolarHBondContact OD1-OG 3.21Å; Q600-S608 PolarHBondContact NE2-OG 3.44Å
609	V	92.5	Very high	91.8	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	22%	0.215	C	C	.	.	S	Bend	trans	-93.8	116.8	174.5	174.9	0	0	0	0	109.1	C571 L593 V597 P607 H613 Y617 I627	C571-V609 HydrophobicContact CB-CG2 4.17Å; L593-V609 HydrophobicContact CD1-CG2 4.24Å; L593-V609 HydrophobicContact CD2-CG2 3.9Å; L593-V609 HydrophobicContact CG-CG2 4.03Å; V597-V609 HydrophobicContact CG2-CB 3.95Å; V597-V609 HydrophobicContact CG2-CG2 3.48Å; V597-V609 VanDerWaalsContact CG2-CG2 3.48Å; P607-V609 PolarHBondContact O-N 3.26Å; V609-H613 HydrophobicContact CG1-CB 4.42Å; V609-Y617 HydrophobicContact CG1-CD2 3.95Å; V609-Y617 HydrophobicContact CG1-CE2 4Å; V609-I627 HydrophobicContact CG1-CD1 4.44Å; V609-I627 WeakPolarHBondContact O-CG2 3.47Å
610	H	90.2	Very high	91.7	Very high	23 Å²	23	42.8 Å²	42.8	11%	0.106	22%	0.22	C	C	.	.			trans	-64.9	142.1	175.2	-169.8	-110.3	0	0	0	111.3	F7 S9 H612 H613 S614 H631 Y749	F7-H610 AromaticContact CD1-NE2 3.78Å; S9-H610 PolarHBondContact OG-ND1 3.2Å; H610-H612 VanDerWaalsContact C-N 3.29Å; H610-H612 PolarHBondContact O-N 3.48Å; H610-H612 VanDerWaalsContact O-N 3.16Å; H610-H613 PolarHBondContact O-N 2.93Å; H610-S614 PolarHBondContact O-N 3.18Å; H610-H631 AromaticContact CD2-CD2 3.99Å; H610-H631 AromaticContact CD2-NE2 3.89Å; H610-Y749 PolarHBondContact CE1-O 3.45Å; H610-Y749 VanDerWaalsContact CE1-O 3.28Å
611	P	92.8	Very high	91.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-49.5	-45	-176.7	-28.1	28	0	0	0	113.8	H613 S614 I627 A628 H631 Y749 Y772	P611-H613 VanDerWaalsContact C-N 3.25Å; P611-H613 PolarHBondContact O-N 3.11Å; P611-S614 WeakPolarHBondContact O-CB 3.29Å; P611-S614 PolarHBondContact O-N 3.45Å; P611-S614 VanDerWaalsContact O-N 3.09Å; P611-S614 PolarHBondContact O-OG 3.27Å; P611-I627 HydrophobicContact CB-CG2 4.27Å; P611-I627 HydrophobicContact CG-CG2 3.88Å; P611-A628 HydrophobicContact CB-CB 4.49Å; P611-H631 WeakPolarHBondContact CD-CD2 3.27Å; P611-H631 WeakPolarHBondContact CD-NE2 3.47Å; P611-H631 HydrophobicContact CG-CB 3.92Å; P611-H631 VanDerWaalsContact CG-CG 3.45Å; P611-Y749 HydrophobicContact CB-CD2 3.49Å; P611-Y749 VanDerWaalsContact CB-CD2 3.49Å; P611-Y749 HydrophobicContact CB-CE2 4.21Å; P611-Y749 HydrophobicContact CB-CG 3.92Å; P611-Y749 HydrophobicContact CG-CD1 4.42Å; P611-Y749 HydrophobicContact CG-CD2 3.7Å; P611-Y749 HydrophobicContact CG-CE2 4.19Å; P611-Y749 HydrophobicContact CG-CG 3.83Å; P611-Y772 VanDerWaalsContact C-OH 3.25Å; P611-Y772 WeakPolarHBondContact CB-OH 3.36Å; P611-Y772 PolarHBondContact O-OH 3.42Å
612	H	89.5	Confident	91.9	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.042	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.4	-33.4	177.8	-177.3	-120	0	0	0	113.2	N11 H610 M615 Y772	N11-H612 PolarHBondContact ND2-CE1 3.45Å; N11-H612 PolarHBondContact ND2-NE2 3.41Å; H610-H612 VanDerWaalsContact C-N 3.29Å; H610-H612 PolarHBondContact O-N 3.48Å; H610-H612 VanDerWaalsContact O-N 3.16Å; H612-M615 WeakPolarHBondContact O-CE 3.37Å; H612-M615 WeakPolarHBondContact O-CG 3.39Å; H612-Y772 HydrophobicContact CB-CE2 4.13Å; H612-Y772 PolarHBondContact N-OH 2.94Å
613	H	90.6	Very high	92	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.069	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-85	-16.2	-179.7	-54.3	164.4	0	0	0	112.7	S9 H575 V609 H610 P611 M615 L616 Y617	S9-H613 WeakPolarHBondContact CB-NE2 3.21Å; H575-H613 AromaticContact CD2-CE1 3.7Å; H575-H613 AromaticContact CD2-ND1 3.86Å; H575-H613 AromaticContact CE1-CD2 3.53Å; H575-H613 AromaticContact CE1-CE1 3.67Å; H575-H613 AromaticContact CE1-CG 3.47Å; H575-H613 VanDerWaalsContact CE1-CG 3.47Å; H575-H613 AromaticContact CE1-ND1 3.55Å; H575-H613 AromaticContact CE1-NE2 3.7Å; H575-H613 AromaticContact CG-ND1 3.84Å; H575-H613 AromaticContact ND1-CG 3.73Å; H575-H613 AromaticContact ND1-ND1 3.65Å; H575-H613 AromaticContact NE2-CD2 3.83Å; H575-H613 AromaticContact NE2-CE1 3.35Å; H575-H613 PolarHBondContact NE2-CE1 3.18Å; H575-H613 VanDerWaalsContact NE2-CE1 3.35Å; H575-H613 AromaticContact NE2-CG 3.96Å; H575-H613 AromaticContact NE2-ND1 3.66Å; H575-H613 AromaticContact NE2-NE2 3.49Å; H575-H613 PolarHBondContact NE2-NE2 2.94Å; V609-H613 HydrophobicContact CG1-CB 4.42Å; H610-H613 PolarHBondContact O-N 2.93Å; P611-H613 VanDerWaalsContact C-N 3.25Å; P611-H613 PolarHBondContact O-N 3.11Å; H613-M615 PolarHBondContact O-N 2.98Å; H613-M615 VanDerWaalsContact O-N 3.09Å; H613-L616 WeakPolarHBondContact O-CB 3.49Å; H613-L616 PolarHBondContact O-N 3.42Å; H613-Y617 HydrophobicContact CB-CE2 4.05Å; H613-Y617 WeakPolarHBondContact O-CD2 3.33Å; H613-Y617 WeakPolarHBondContact O-CE2 3.47Å
614	S	93.6	Very high	92.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18	-176.5	74.7	0	0	0	0	114.2	H610 P611 L616 R624	H610-S614 PolarHBondContact O-N 3.18Å; P611-S614 WeakPolarHBondContact O-CB 3.29Å; P611-S614 PolarHBondContact O-N 3.45Å; P611-S614 VanDerWaalsContact O-N 3.09Å; P611-S614 PolarHBondContact O-OG 3.27Å; S614-L616 VanDerWaalsContact C-N 3.34Å; S614-R624 PolarHBondContact O-NE 3.05Å
615	M	91.6	Very high	92.7	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.054	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-71	-25.4	172.6	66.9	-171	176.3	0	0	113.5	H612 H613 Y617 P773 A1057	H612-M615 WeakPolarHBondContact O-CE 3.37Å; H612-M615 WeakPolarHBondContact O-CG 3.39Å; H613-M615 PolarHBondContact O-N 2.98Å; H613-M615 VanDerWaalsContact O-N 3.09Å; M615-Y617 VanDerWaalsContact C-N 3.31Å; M615-Y617 PolarHBondContact O-N 3.32Å; M615-P773 HydrophobicContact CE-CG 4.43Å; M615-P773 HydrophobicContact SD-CG 3.89Å; M615-A1057 HydrophobicContact CB-CB 4.11Å; M615-A1057 HydrophobicContact CG-CB 4.31Å; M615-A1057 HydrophobicContact SD-CB 3.49Å; M615-A1057 WeakPolarHBondContact SD-CB 3.42Å
616	L	93.4	Very high	93.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-83.7	-5.1	-177.3	-57.5	177.1	0	0	0	113.8	H613 S614 Y956 L1031 C1032	H613-L616 WeakPolarHBondContact O-CB 3.49Å; H613-L616 PolarHBondContact O-N 3.42Å; S614-L616 VanDerWaalsContact C-N 3.34Å; L616-Y956 HydrophobicContact CD1-CD2 3.59Å; L616-Y956 HydrophobicContact CD1-CE2 3.99Å; L616-Y956 HydrophobicContact CD2-CD2 3.85Å; L616-Y956 HydrophobicContact CD2-CE2 3.95Å; L616-Y956 HydrophobicContact CG-CD2 4.37Å; L616-L1031 HydrophobicContact CD2-CD2 4.3Å; L616-L1031 HydrophobicContact CD2-CG 4.44Å; L616-C1032 HydrophobicContact CD2-CB 4.1Å
617	Y	94	Very high	93.6	Very high	7 Å²	7	22 Å²	22	3%	0.027	14%	0.139	C	C	.	.	S	Bend	trans	-120.1	149.3	-174.4	-54.3	-54.3	0	0	0	110.7	H575 L593 V609 H613 M615 L619 R624	H575-Y617 WeakPolarHBondContact CA-OH 3.48Å; H575-Y617 WeakPolarHBondContact CB-OH 3.44Å; H575-Y617 PolarHBondContact ND1-OH 3.37Å; H575-Y617 VanDerWaalsContact ND1-OH 3.16Å; L593-Y617 HydrophobicContact CD1-CD1 4.14Å; L593-Y617 HydrophobicContact CD1-CD2 4.23Å; L593-Y617 HydrophobicContact CD1-CE1 3.85Å; L593-Y617 HydrophobicContact CD1-CE2 3.93Å; L593-Y617 HydrophobicContact CD1-CG 4.34Å; L593-Y617 HydrophobicContact CD2-CD1 4.16Å; L593-Y617 HydrophobicContact CD2-CD2 3.83Å; L593-Y617 HydrophobicContact CD2-CE2 4.35Å; L593-Y617 HydrophobicContact CD2-CG 3.73Å; V609-Y617 HydrophobicContact CG1-CD2 3.95Å; V609-Y617 HydrophobicContact CG1-CE2 4Å; H613-Y617 HydrophobicContact CB-CE2 4.05Å; H613-Y617 WeakPolarHBondContact O-CD2 3.33Å; H613-Y617 WeakPolarHBondContact O-CE2 3.47Å; M615-Y617 VanDerWaalsContact C-N 3.31Å; M615-Y617 PolarHBondContact O-N 3.32Å; Y617-L619 PolarHBondContact O-N 2.91Å; Y617-R624 PolarHBondContact O-NH2 2.85Å
618	P	93.6	Very high	93.8	Very high	87 Å²	87	21.8 Å²	21.8	57%	0.565	14%	0.138	S	C	*	.			trans	-76.8	53.6	179.6	34.4	-36.8	0	0	0	111.6	V590 V594	V590-P618 HydrophobicContact CG1-CG 3.46Å; V590-P618 VanDerWaalsContact CG1-CG 3.46Å; V594-P618 HydrophobicContact CG2-CG 4.23Å
619	L	94.5	Very high	94	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.047	14%	0.144	C	C	.	.			trans	-81.4	150.3	173.2	-65.9	168.7	0	0	0	109.9	V594 V597 Y617 A623 R624 I627	V594-L619 HydrophobicContact CB-CD2 4.45Å; V594-L619 HydrophobicContact CG1-CD2 4.32Å; V594-L619 HydrophobicContact CG2-CD2 4.06Å; V597-L619 HydrophobicContact CB-CD2 4.14Å; V597-L619 HydrophobicContact CG1-CD2 3.93Å; V597-L619 HydrophobicContact CG2-CD2 4.44Å; Y617-L619 PolarHBondContact O-N 2.91Å; L619-A623 HydrophobicContact CB-CB 4.26Å; L619-A623 HydrophobicContact CD2-CB 4.45Å; L619-R624 HydrophobicContact CB-CG 4.15Å; L619-R624 PolarHBondContact O-NH1 3.37Å; L619-R624 PolarHBondContact O-NH2 3.47Å; L619-I627 HydrophobicContact CD1-CD1 3.78Å
620	S	94.6	Very high	94	Very high	68 Å²	68	25.4 Å²	25.4	48%	0.476	16%	0.157	S	C	.	.			trans	-68.4	156.5	170.3	69.1	0	0	0	0	111.3	A622 A623 R624	S620-A622 PolarHBondContact O-N 2.98Å; S620-A623 WeakPolarHBondContact O-CB 3.32Å; S620-A623 PolarHBondContact O-N 3.33Å; S620-A623 WeakPolarHBondContact OG-CB 3.46Å; S620-A623 PolarHBondContact OG-N 3.07Å; S620-A623 VanDerWaalsContact OG-N 3.15Å; S620-R624 PolarHBondContact O-N 3.39Å
621	H	95.2	Very high	94	Very high	29 Å²	29	24.6 Å²	24.6	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-55.6	-40.4	173.2	-70.2	-67.7	0	0	0	112.5	A623 R624 I625 A798 E1054	H621-A623 VanDerWaalsContact C-N 3.34Å; H621-A623 PolarHBondContact O-N 3.26Å; H621-R624 PolarHBondContact O-N 2.92Å; H621-I625 WeakPolarHBondContact O-CG1 3.09Å; H621-I625 PolarHBondContact O-N 2.97Å; H621-A798 HydrophobicContact CB-CB 4.05Å; H621-A798 WeakPolarHBondContact ND1-CB 3.4Å; H621-E1054 PolarHBondContact CE1-O 3.35Å; H621-E1054 IonicContact NE2-OE2 2.77Å
622	A	95.3	Very high	94	Very high	69 Å²	69	24.8 Å²	24.8	57%	0.57	16%	0.155	S	C	*	.	H	α-helix	trans	-60.6	-39.9	174.8	0	0	0	0	0	112.6	S620 A626	S620-A622 PolarHBondContact O-N 2.98Å; A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.31Å; A622-A626 PolarHBondContact O-N 3.21Å
623	A	95.8	Very high	94	Very high	9 Å²	9	27.2 Å²	27.2	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-41.1	175	0	0	0	0	0	112	L601 L619 S620 H621 A626 I627	L601-A623 HydrophobicContact CD1-CB 4.08Å; L619-A623 HydrophobicContact CB-CB 4.26Å; L619-A623 HydrophobicContact CD2-CB 4.45Å; S620-A623 WeakPolarHBondContact O-CB 3.32Å; S620-A623 PolarHBondContact O-N 3.33Å; S620-A623 WeakPolarHBondContact OG-CB 3.46Å; S620-A623 PolarHBondContact OG-N 3.07Å; S620-A623 VanDerWaalsContact OG-N 3.15Å; H621-A623 VanDerWaalsContact C-N 3.34Å; H621-A623 PolarHBondContact O-N 3.26Å; A623-A626 PolarHBondContact O-N 2.84Å; A623-I627 WeakPolarHBondContact O-CD1 3.3Å; A623-I627 VanDerWaalsContact O-CG1 3.24Å; A623-I627 WeakPolarHBondContact O-CG1 3.18Å; A623-I627 PolarHBondContact O-N 3.2Å
624	R	96.2	Very high	93.7	Very high	29 Å²	29	28 Å²	28	11%	0.109	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.4	-62.8	-169.1	-172.9	97.3	2.5	111.9	S614 Y617 L619 S620 H621 A626 I627 A628	S614-R624 PolarHBondContact O-NE 3.05Å; Y617-R624 PolarHBondContact O-NH2 2.85Å; L619-R624 HydrophobicContact CB-CG 4.15Å; L619-R624 PolarHBondContact O-NH1 3.37Å; L619-R624 PolarHBondContact O-NH2 3.47Å; S620-R624 PolarHBondContact O-N 3.39Å; H621-R624 PolarHBondContact O-N 2.92Å; R624-A626 PolarHBondContact O-N 2.76Å; R624-I627 PolarHBondContact O-N 3.23Å; R624-A628 WeakPolarHBondContact O-CB 3.44Å; R624-A628 PolarHBondContact O-N 3.08Å; R624-A628 VanDerWaalsContact O-N 3.08Å
625	I	96.8	Very high	93.4	Very high	34 Å²	34	28.2 Å²	28.2	17%	0.174	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-48.6	171.9	-72.5	163.7	0	0	0	110.6	H621 I627 A628 A629 T775 N797 T800	H621-I625 WeakPolarHBondContact O-CG1 3.09Å; H621-I625 PolarHBondContact O-N 2.97Å; I625-I627 PolarHBondContact O-N 3.1Å; I625-A628 PolarHBondContact O-N 2.88Å; I625-A629 VanDerWaalsContact O-CB 3.3Å; I625-A629 WeakPolarHBondContact O-CB 3.29Å; I625-A629 PolarHBondContact O-N 3.49Å; I625-T775 HydrophobicContact CG1-CG2 3.91Å; I625-N797 WeakPolarHBondContact CD1-O 3.43Å; I625-T800 HydrophobicContact CG2-CG2 3.72Å
626	A	96.3	Very high	92.9	Very high	33 Å²	33	32.5 Å²	32.5	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-67.1	-34.9	-175.4	0	0	0	0	0	113	L601 A622 A623 R624 K630	L601-A626 HydrophobicContact CD1-CB 3.98Å; L601-A626 HydrophobicContact CD2-CB 3.6Å; L601-A626 HydrophobicContact CG-CB 4.42Å; A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.31Å; A622-A626 PolarHBondContact O-N 3.21Å; A623-A626 PolarHBondContact O-N 2.84Å; R624-A626 PolarHBondContact O-N 2.76Å; A626-K630 VanDerWaalsContact O-CG 3.25Å; A626-K630 WeakPolarHBondContact O-CG 3.39Å; A626-K630 PolarHBondContact O-N 3.31Å; A626-K630 VanDerWaalsContact O-N 3.11Å
627	I	95.5	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-53	169.3	-68.8	161.8	0	0	0	109.9	V597 P607 V609 P611 L619 A623 R624 I625 K630 H631	V597-I627 HydrophobicContact CG1-CD1 3.94Å; V597-I627 HydrophobicContact CG1-CG1 4.26Å; P607-I627 HydrophobicContact CB-CG1 3.92Å; P607-I627 HydrophobicContact CG-CG1 3.87Å; V609-I627 HydrophobicContact CG1-CD1 4.44Å; V609-I627 WeakPolarHBondContact O-CG2 3.47Å; P611-I627 HydrophobicContact CB-CG2 4.27Å; P611-I627 HydrophobicContact CG-CG2 3.88Å; L619-I627 HydrophobicContact CD1-CD1 3.78Å; A623-I627 WeakPolarHBondContact O-CD1 3.3Å; A623-I627 VanDerWaalsContact O-CG1 3.24Å; A623-I627 WeakPolarHBondContact O-CG1 3.18Å; A623-I627 PolarHBondContact O-N 3.2Å; R624-I627 PolarHBondContact O-N 3.23Å; I625-I627 PolarHBondContact O-N 3.1Å; I627-K630 PolarHBondContact O-N 2.93Å; I627-H631 PolarHBondContact O-N 2.9Å; I627-H631 PolarHBondContact O-ND1 3.2Å
628	A	96.2	Very high	91.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-45.1	-178.9	0	0	0	0	0	112.3	P611 R624 I625 K630 H631 A632 Y749 S776	P611-A628 HydrophobicContact CB-CB 4.49Å; R624-A628 WeakPolarHBondContact O-CB 3.44Å; R624-A628 PolarHBondContact O-N 3.08Å; R624-A628 VanDerWaalsContact O-N 3.08Å; I625-A628 PolarHBondContact O-N 2.88Å; A628-K630 VanDerWaalsContact C-N 3.31Å; A628-K630 PolarHBondContact O-N 3.02Å; A628-H631 CarbonylContact O-C 3.57Å; A628-H631 WeakPolarHBondContact O-CA 3.44Å; A628-H631 WeakPolarHBondContact O-CB 3.46Å; A628-H631 PolarHBondContact O-N 3.49Å; A628-A632 PolarHBondContact O-N 3.31Å; A628-Y749 HydrophobicContact CB-CE2 4.03Å; A628-Y749 PolarHBondContact O-OH 2.88Å; A628-Y749 VanDerWaalsContact O-OH 3.11Å; A628-S776 CarbonylContact C-O 3.5Å; A628-S776 WeakPolarHBondContact CB-O 3.4Å
629	A	96	Very high	90.5	Very high	29 Å²	29	37.7 Å²	37.7	24%	0.24	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-32.7	177.9	0	0	0	0	0	113.4	I625 H631 S633 G777	I625-A629 VanDerWaalsContact O-CB 3.3Å; I625-A629 WeakPolarHBondContact O-CB 3.29Å; I625-A629 PolarHBondContact O-N 3.49Å; A629-H631 VanDerWaalsContact C-N 3.35Å; A629-S633 WeakPolarHBondContact O-CB 3.33Å; A629-S633 PolarHBondContact O-N 3.12Å; A629-S633 PolarHBondContact O-OG 3.19Å; A629-G777 VanDerWaalsContact CA-O 3.26Å; A629-G777 WeakPolarHBondContact CA-O 3.45Å; A629-G777 VanDerWaalsContact CB-O 3.27Å; A629-G777 WeakPolarHBondContact CB-O 3.39Å
630	K	92.2	Very high	89.5	Confident	68 Å²	68	41.4 Å²	41.4	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-66.7	-36.7	171.3	-74.9	-76.5	174.9	-178.3	0	112	K604 L606 A626 I627 A628 S633 L634	K604-K630 PolarHBondContact O-NZ 3.42Å; L606-K630 HydrophobicContact CD1-CB 3.99Å; A626-K630 VanDerWaalsContact O-CG 3.25Å; A626-K630 WeakPolarHBondContact O-CG 3.39Å; A626-K630 PolarHBondContact O-N 3.31Å; A626-K630 VanDerWaalsContact O-N 3.11Å; I627-K630 PolarHBondContact O-N 2.93Å; A628-K630 VanDerWaalsContact C-N 3.31Å; A628-K630 PolarHBondContact O-N 3.02Å; K630-S633 PolarHBondContact O-N 2.94Å; K630-L634 PolarHBondContact O-N 3.27Å
631	H	90	Very high	88	Confident	5 Å²	5	43.2 Å²	43.2	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-72.6	-39.1	176.3	-68.1	57	0	0	0	111	F7 H610 P611 I627 A628 A629 S633 L634 C635 Y749	F7-H631 HydrophobicContact CE1-CB 4.27Å; F7-H631 AromaticContact CE1-CD2 3.37Å; F7-H631 WeakPolarHBondContact CE1-CD2 3.32Å; F7-H631 HydrophobicContact CZ-CB 4.07Å; F7-H631 AromaticContact CZ-CD2 3.19Å; F7-H631 WeakPolarHBondContact CZ-CD2 3.38Å; F7-H631 AromaticContact CZ-CG 3.84Å; H610-H631 AromaticContact CD2-CD2 3.99Å; H610-H631 AromaticContact CD2-NE2 3.89Å; P611-H631 WeakPolarHBondContact CD-CD2 3.27Å; P611-H631 WeakPolarHBondContact CD-NE2 3.47Å; P611-H631 HydrophobicContact CG-CB 3.92Å; P611-H631 VanDerWaalsContact CG-CG 3.45Å; I627-H631 PolarHBondContact O-N 2.9Å; I627-H631 PolarHBondContact O-ND1 3.2Å; A628-H631 CarbonylContact O-C 3.57Å; A628-H631 WeakPolarHBondContact O-CA 3.44Å; A628-H631 WeakPolarHBondContact O-CB 3.46Å; A628-H631 PolarHBondContact O-N 3.49Å; A629-H631 VanDerWaalsContact C-N 3.35Å; H631-S633 VanDerWaalsContact C-N 3.33Å; H631-S633 PolarHBondContact O-N 2.83Å; H631-L634 PolarHBondContact O-N 2.97Å; H631-C635 PolarHBondContact O-N 3.42Å; H631-C635 PolarHBondContact O-SG 3.47Å; H631-Y749 HydrophobicContact CB-CD1 4.06Å; H631-Y749 HydrophobicContact CB-CE1 3.58Å
632	A	92.9	Very high	86.2	Confident	6 Å²	6	45.3 Å²	45.3	5%	0.05	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-42.4	171.1	0	0	0	0	0	112.5	A628 L634 C635 F636 Y749 A778 F780	A628-A632 PolarHBondContact O-N 3.31Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 2.97Å; A632-C635 WeakPolarHBondContact O-CB 3.48Å; A632-C635 PolarHBondContact O-N 3.36Å; A632-C635 VanDerWaalsContact O-N 3.16Å; A632-F636 PolarHBondContact O-N 3.46Å; A632-F636 VanDerWaalsContact O-N 3.08Å; A632-Y749 WeakPolarHBondContact CA-OH 3.41Å; A632-Y749 WeakPolarHBondContact CB-OH 3.34Å; A632-Y749 PolarHBondContact N-OH 3.36Å; A632-Y749 VanDerWaalsContact N-OH 3.11Å; A632-A778 HydrophobicContact CB-CB 3.59Å; A632-F780 HydrophobicContact CB-CE1 4.09Å; A632-F780 HydrophobicContact CB-CZ 4.27Å
633	S	89.9	Confident	84.6	Confident	60 Å²	60	45 Å²	45	42%	0.42	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-39.9	178.7	-57.1	0	0	0	0	111.6	A629 K630 H631 C635 F636 D637	A629-S633 WeakPolarHBondContact O-CB 3.33Å; A629-S633 PolarHBondContact O-N 3.12Å; A629-S633 PolarHBondContact O-OG 3.19Å; K630-S633 PolarHBondContact O-N 2.94Å; H631-S633 VanDerWaalsContact C-N 3.33Å; H631-S633 PolarHBondContact O-N 2.83Å; S633-C635 VanDerWaalsContact C-N 3.34Å; S633-C635 PolarHBondContact O-N 3.02Å; S633-F636 WeakPolarHBondContact O-CB 3.44Å; S633-F636 PolarHBondContact O-N 3Å; S633-D637 PolarHBondContact O-N 2.96Å
634	L	84.9	Confident	83	Confident	30 Å²	30	50.2 Å²	50.2	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-35.2	174.7	-68.6	174.2	0	0	0	112.8	F7 L606 K630 H631 A632 F636 D637 K638	F7-L634 HydrophobicContact CE2-CD1 4.03Å; F7-L634 HydrophobicContact CZ-CD1 4.24Å; L606-L634 HydrophobicContact CD1-CD1 3.71Å; L606-L634 HydrophobicContact CD2-CD1 3.84Å; L606-L634 HydrophobicContact CG-CD1 4.39Å; K630-L634 PolarHBondContact O-N 3.27Å; H631-L634 PolarHBondContact O-N 2.97Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 2.97Å; L634-F636 VanDerWaalsContact C-N 3.32Å; L634-D637 PolarHBondContact O-N 3.37Å; L634-K638 WeakPolarHBondContact O-CG 3.38Å; L634-K638 PolarHBondContact O-N 2.86Å; L634-K638 VanDerWaalsContact O-N 3.13Å
635	C	85.8	Confident	81.3	Confident	6 Å²	6	53.1 Å²	53.1	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-39.9	172.7	-62.9	0	0	0	0	111.3	H631 A632 S633 V639 N755 E756	H631-C635 PolarHBondContact O-N 3.42Å; H631-C635 PolarHBondContact O-SG 3.47Å; A632-C635 WeakPolarHBondContact O-CB 3.48Å; A632-C635 PolarHBondContact O-N 3.36Å; A632-C635 VanDerWaalsContact O-N 3.16Å; S633-C635 VanDerWaalsContact C-N 3.34Å; S633-C635 PolarHBondContact O-N 3.02Å; C635-V639 PolarHBondContact O-N 3.31Å; C635-N755 HydrophobicContact CB-CB 4.43Å; C635-E756 HydrophobicContact CB-CG 4.31Å
636	F	82.4	Confident	79.8	Confident	101 Å²	101	56.3 Å²	56.3	44%	0.443	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-47.9	174.5	-168.6	-91.8	0	0	0	112	A632 S633 L634 K638 V639 H640	A632-F636 PolarHBondContact O-N 3.46Å; A632-F636 VanDerWaalsContact O-N 3.08Å; S633-F636 WeakPolarHBondContact O-CB 3.44Å; S633-F636 PolarHBondContact O-N 3Å; L634-F636 VanDerWaalsContact C-N 3.32Å; F636-K638 VanDerWaalsContact C-N 3.3Å; F636-K638 PolarHBondContact O-N 3.33Å; F636-V639 WeakPolarHBondContact O-CG2 3.47Å; F636-V639 PolarHBondContact O-N 2.91Å; F636-V639 VanDerWaalsContact O-N 3.11Å; F636-H640 AromaticContact CE1-ND1 3.76Å; F636-H640 WeakPolarHBondContact O-CB 3.47Å; F636-H640 PolarHBondContact O-N 3.17Å
637	D	79.1	Confident	78.5	Confident	86 Å²	86	60.5 Å²	60.5	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-53.3	-45.7	177.5	-71.5	-12.1	0	0	0	111.8	S633 L634 V639 H640	S633-D637 PolarHBondContact O-N 2.96Å; L634-D637 PolarHBondContact O-N 3.37Å; D637-V639 VanDerWaalsContact C-N 3.33Å; D637-V639 PolarHBondContact O-N 3.34Å; D637-H640 PolarHBondContact O-N 2.96Å
638	K	73.9	Confident	77.8	Confident	118 Å²	118	65.2 Å²	65.2	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-37	178.8	-75.3	175.9	-175.8	-176.8	0	113.5	L634 F636 E756	L634-K638 WeakPolarHBondContact O-CG 3.38Å; L634-K638 PolarHBondContact O-N 2.86Å; L634-K638 VanDerWaalsContact O-N 3.13Å; F636-K638 VanDerWaalsContact C-N 3.3Å; F636-K638 PolarHBondContact O-N 3.33Å; K638-E756 HydrophobicContact CB-CG 4.32Å; K638-E756 HydrophobicContact CD-CG 4.03Å; K638-E756 WeakPolarHBondContact CD-OE1 3.46Å; K638-E756 WeakPolarHBondContact CE-OE1 3.47Å; K638-E756 IonicContact NZ-OE1 3.79Å; K638-E756 PolarHBondContact NZ-OE1 3.47Å
639	V	77.5	Confident	77.4	Confident	2 Å²	2	67 Å²	67	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-94	-14.1	-178.9	-58	0	0	0	0	113.4	C635 F636 D637 V641 Q642 M643 E756 A759 L760	C635-V639 PolarHBondContact O-N 3.31Å; F636-V639 WeakPolarHBondContact O-CG2 3.47Å; F636-V639 PolarHBondContact O-N 2.91Å; F636-V639 VanDerWaalsContact O-N 3.11Å; D637-V639 VanDerWaalsContact C-N 3.33Å; D637-V639 PolarHBondContact O-N 3.34Å; V639-V641 VanDerWaalsContact C-N 3.26Å; V639-V641 PolarHBondContact O-N 2.7Å; V639-Q642 CarbonylContact O-C 3.39Å; V639-Q642 WeakPolarHBondContact O-CA 3.29Å; V639-Q642 WeakPolarHBondContact O-CB 3.41Å; V639-Q642 PolarHBondContact O-N 3.48Å; V639-M643 WeakPolarHBondContact O-CG 3.48Å; V639-M643 PolarHBondContact O-N 2.92Å; V639-E756 HydrophobicContact CG1-CB 3.59Å; V639-E756 HydrophobicContact CG1-CG 4.01Å; V639-A759 HydrophobicContact CG2-CB 4.03Å; V639-L760 HydrophobicContact CB-CD2 3.87Å; V639-L760 HydrophobicContact CB-CG 4.1Å; V639-L760 HydrophobicContact CG1-CD1 4.28Å; V639-L760 HydrophobicContact CG1-CD2 4.47Å; V639-L760 HydrophobicContact CG1-CG 4.22Å; V639-L760 HydrophobicContact CG2-CD2 4.01Å; V639-L760 HydrophobicContact CG2-CG 4.15Å
640	H	73	Confident	77	Confident	87 Å²	87	72.6 Å²	72.6	40%	0.403	40%	0.401	S	S	.	.	H	α-helix	trans	-55.8	-42.5	179.2	-172.4	73.9	0	0	0	111.8	F636 D637 Q642 M643 L644	F636-H640 AromaticContact CE1-ND1 3.76Å; F636-H640 WeakPolarHBondContact O-CB 3.47Å; F636-H640 PolarHBondContact O-N 3.17Å; D637-H640 PolarHBondContact O-N 2.96Å; H640-Q642 VanDerWaalsContact C-N 3.28Å; H640-Q642 PolarHBondContact O-N 3.44Å; H640-M643 WeakPolarHBondContact O-CB 3.45Å; H640-M643 PolarHBondContact O-N 2.79Å; H640-L644 PolarHBondContact O-N 3.35Å
641	V	63.2	Low	77.1	Confident	106 Å²	106	72.4 Å²	72.4	64%	0.642	40%	0.401	S	S	*	.	H	α-helix	trans	-63.7	-32.9	174.6	-176.5	0	0	0	0	112.3	V639 M643	V639-V641 VanDerWaalsContact C-N 3.26Å; V639-V641 PolarHBondContact O-N 2.7Å; V641-M643 VanDerWaalsContact C-N 3.28Å; V641-M643 PolarHBondContact O-N 2.64Å
642	Q	57.7	Low	76.9	Confident	73 Å²	73	73 Å²	73	34%	0.341	41%	0.407	S	S	.	.	H	α-helix	trans	-75.9	-17.3	175.5	-56.2	-175.8	10.3	0	0	112.8	V639 H640 K646	V639-Q642 CarbonylContact O-C 3.39Å; V639-Q642 WeakPolarHBondContact O-CA 3.29Å; V639-Q642 WeakPolarHBondContact O-CB 3.41Å; V639-Q642 PolarHBondContact O-N 3.48Å; H640-Q642 VanDerWaalsContact C-N 3.28Å; H640-Q642 PolarHBondContact O-N 3.44Å; Q642-K646 VanDerWaalsContact O-CD 3.31Å; Q642-K646 WeakPolarHBondContact O-CD 3.37Å; Q642-K646 WeakPolarHBondContact O-CE 3.39Å
643	M	62.5	Low	76.8	Confident	63 Å²	63	77.1 Å²	77.1	31%	0.31	43%	0.428	S	S	.	.	H	α-helix	trans	-95.5	-22.5	178.8	-71.4	-70.1	-94	0	0	113.5	V639 H640 V641 G645 K646 L760	V639-M643 WeakPolarHBondContact O-CG 3.48Å; V639-M643 PolarHBondContact O-N 2.92Å; H640-M643 WeakPolarHBondContact O-CB 3.45Å; H640-M643 PolarHBondContact O-N 2.79Å; V641-M643 VanDerWaalsContact C-N 3.28Å; V641-M643 PolarHBondContact O-N 2.64Å; M643-G645 PolarHBondContact O-N 3.09Å; M643-K646 PolarHBondContact O-N 3.12Å; M643-L760 HydrophobicContact CE-CD2 4.15Å; M643-L760 HydrophobicContact CG-CD2 3.45Å; M643-L760 VanDerWaalsContact CG-CD2 3.45Å; M643-L760 HydrophobicContact SD-CD2 3.32Å; M643-L760 WeakPolarHBondContact SD-CD2 3.44Å
644	L	60.5	Low	77	Confident	118 Å²	118	78.5 Å²	78.5	62%	0.618	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	114.5	178.6	-80.1	171.4	0	0	0	110.9	H640 K646	H640-L644 PolarHBondContact O-N 3.35Å; L644-K646 VanDerWaalsContact C-N 3.35Å
645	G	60.4	Low	77.5	Confident	89 Å²	89	81.4 Å²	81.4	92%	0.918	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-1.4	-178.7	0	0	0	0	0	115.7	M643	M643-G645 PolarHBondContact O-N 3.09Å
646	K	65.9	Low	77.9	Confident	102 Å²	102	81.2 Å²	81.2	44%	0.443	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-88.8	141.8	172.3	-71.4	-162.2	179.2	-176.4	0	111.8	Q642 M643 L644 E733	Q642-K646 VanDerWaalsContact O-CD 3.31Å; Q642-K646 WeakPolarHBondContact O-CD 3.37Å; Q642-K646 WeakPolarHBondContact O-CE 3.39Å; M643-K646 PolarHBondContact O-N 3.12Å; L644-K646 VanDerWaalsContact C-N 3.35Å; K646-E733 IonicContact NZ-OE1 2.78Å; K646-E733 PolarHBondContact NZ-OE1 2.97Å
647	T	70.1	Confident	78.5	Confident	120 Å²	120	78.4 Å²	78.4	74%	0.736	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-62.5	141.8	165	-43.3	0	0	0	0	109.5
648	P	80.1	Confident	79.1	Confident	99 Å²	99	80.6 Å²	80.6	64%	0.643	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-51.4	145.7	169.2	-27.2	35.5	0	0	0	111.9	I650	P648-I650 PolarHBondContact O-N 3Å
649	L	86.9	Confident	80.1	Confident	38 Å²	38	80.6 Å²	80.6	20%	0.199	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-61.3	133.7	177.1	-65.3	175.9	0	0	0	109.9	H651 A732 E733 A736 L760 P762	L649-H651 PolarHBondContact O-N 3.43Å; L649-A732 HydrophobicContact CD1-CB 3.79Å; L649-E733 HydrophobicContact CD2-CG 3.82Å; L649-A736 HydrophobicContact CB-CB 4.13Å; L649-A736 HydrophobicContact CD1-CB 4.35Å; L649-A736 HydrophobicContact CD2-CB 4.45Å; L649-L760 HydrophobicContact CD1-CB 4.46Å; L649-P762 HydrophobicContact CD1-CB 3.79Å
650	I	89.1	Confident	80.9	Confident	148 Å²	148	83.8 Å²	83.8	76%	0.759	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-75.1	117.8	178.8	-58.9	175.4	0	0	0	107.6	P648	P648-I650 PolarHBondContact O-N 3Å
651	H	92.9	Very high	82	Confident	64 Å²	64	84.4 Å²	84.4	30%	0.296	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-73.9	162.2	174	-63.7	157.5	0	0	0	111.4	L649 R761 P764	L649-H651 PolarHBondContact O-N 3.43Å; H651-R761 PolarHBondContact NE2-O 3.43Å; H651-P764 HydrophobicContact CB-CB 4.17Å; H651-P764 HydrophobicContact CB-CG 4.23Å
652	A	87.2	Confident	83.6	Confident	18 Å²	18	82.5 Å²	82.5	15%	0.149	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-54.1	149	167.6	0	0	0	0	0	111.3	R654 H741	A652-R654 PolarHBondContact O-N 3.49Å; A652-H741 VanDerWaalsContact CB-CD2 3.42Å; A652-H741 WeakPolarHBondContact CB-CD2 3.45Å
653	D	90.9	Very high	85.6	Confident	91 Å²	91	79.4 Å²	79.4	49%	0.487	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-56.6	136.6	179.7	175.8	55.4	0	0	0	111.1	F655 S656	D653-F655 PolarHBondContact O-N 3.02Å; D653-F655 VanDerWaalsContact O-N 3.15Å; D653-F655 PolarHBondContact OD2-N 3.45Å; D653-F655 VanDerWaalsContact OD2-N 3.11Å; D653-S656 VanDerWaalsContact O-CB 3.32Å; D653-S656 WeakPolarHBondContact O-CB 3.38Å; D653-S656 PolarHBondContact O-N 3.08Å; D653-S656 VanDerWaalsContact O-N 3.17Å; D653-S656 PolarHBondContact O-OG 3.35Å; D653-S656 PolarHBondContact OD2-N 3.2Å
654	R	93.1	Very high	87.3	Confident	90 Å²	90	79.7 Å²	79.7	34%	0.34	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.1	-174.9	-175.6	179.4	-151.4	152.4	22.3	113	A652 W1129 Y1132 E1133 G1135	A652-R654 PolarHBondContact O-N 3.49Å; R654-W1129 WeakPolarHBondContact O-CZ2 3.39Å; R654-Y1132 HydrophobicContact CB-CE1 4.32Å; R654-Y1132 HydrophobicContact CG-CD1 4.32Å; R654-Y1132 HydrophobicContact CG-CE1 3.92Å; R654-Y1132 PolarHBondContact NE-O 3.3Å; R654-Y1132 PolarHBondContact NH2-O 3.06Å; R654-E1133 PolarHBondContact NE-O 2.88Å; R654-E1133 WeakPolarHBondContact O-CG 3.37Å; R654-G1135 VanDerWaalsContact NH2-CA 3.32Å
655	F	95.6	Very high	89.1	Confident	91 Å²	91	74 Å²	74	40%	0.399	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	12.8	-175.6	-53.4	-72.5	0	0	0	111.9	D653 V657 Q658 N659 E1133	D653-F655 PolarHBondContact O-N 3.02Å; D653-F655 VanDerWaalsContact O-N 3.15Å; D653-F655 PolarHBondContact OD2-N 3.45Å; D653-F655 VanDerWaalsContact OD2-N 3.11Å; F655-V657 VanDerWaalsContact C-N 3.3Å; F655-V657 PolarHBondContact O-N 2.98Å; F655-Q658 PolarHBondContact O-N 3.36Å; F655-N659 VanDerWaalsContact O-CB 3.23Å; F655-N659 WeakPolarHBondContact O-CB 3.38Å; F655-N659 PolarHBondContact O-N 3.25Å; F655-N659 PolarHBondContact O-ND2 3.42Å; F655-E1133 HydrophobicContact CD1-CG 4.14Å
656	S	94.9	Very high	90.9	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.014	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-47.3	-178.4	57.7	0	0	0	0	112.7	D653 N659 G660 Q661 H741	D653-S656 VanDerWaalsContact O-CB 3.32Å; D653-S656 WeakPolarHBondContact O-CB 3.38Å; D653-S656 PolarHBondContact O-N 3.08Å; D653-S656 VanDerWaalsContact O-N 3.17Å; D653-S656 PolarHBondContact O-OG 3.35Å; D653-S656 PolarHBondContact OD2-N 3.2Å; S656-N659 CarbonylContact O-C 3.57Å; S656-N659 PolarHBondContact O-N 2.94Å; S656-G660 PolarHBondContact O-N 3.46Å; S656-Q661 VanDerWaalsContact O-CB 3.28Å; S656-Q661 WeakPolarHBondContact O-CB 3.28Å; S656-Q661 WeakPolarHBondContact O-CG 3.28Å; S656-Q661 PolarHBondContact O-N 3.08Å; S656-H741 PolarHBondContact OG-CD2 3.16Å; S656-H741 PolarHBondContact OG-NE2 3.44Å
657	V	94.3	Very high	92.5	Very high	41 Å²	41	65 Å²	65	25%	0.248	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-44.8	-177.4	-177.2	0	0	0	0	111	F655 N659 G660 Q661 L663 W1129	F655-V657 VanDerWaalsContact C-N 3.3Å; F655-V657 PolarHBondContact O-N 2.98Å; V657-N659 PolarHBondContact O-N 3.3Å; V657-G660 PolarHBondContact O-N 2.95Å; V657-Q661 WeakPolarHBondContact CA-O 3.49Å; V657-L663 HydrophobicContact CG2-CB 4.38Å; V657-L663 HydrophobicContact CG2-CD1 4.08Å; V657-W1129 HydrophobicContact CG2-CD2 4.4Å; V657-W1129 HydrophobicContact CG2-CG 4.42Å; V657-W1129 HydrophobicContact CG2-CZ2 4.26Å
658	Q	92.4	Very high	93.8	Very high	132 Å²	132	59.2 Å²	59.2	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.6	169.3	-176.8	177.5	-0.8	0	0	112.7	F655 G660 E1133	F655-Q658 PolarHBondContact O-N 3.36Å; Q658-G660 PolarHBondContact O-N 3.08Å; Q658-E1133 WeakPolarHBondContact CB-OE1 3.48Å; Q658-E1133 PolarHBondContact N-OE1 3.47Å
659	N	94.3	Very high	94.7	Very high	118 Å²	118	54.5 Å²	54.5	63%	0.631	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	10.4	175.7	-67.8	-34.1	0	0	0	113.7	F655 S656 V657	F655-N659 VanDerWaalsContact O-CB 3.23Å; F655-N659 WeakPolarHBondContact O-CB 3.38Å; F655-N659 PolarHBondContact O-N 3.25Å; F655-N659 PolarHBondContact O-ND2 3.42Å; S656-N659 CarbonylContact O-C 3.57Å; S656-N659 PolarHBondContact O-N 2.94Å; V657-N659 PolarHBondContact O-N 3.3Å
660	G	94	Very high	95.2	Very high	69 Å²	69	53.4 Å²	53.4	71%	0.711	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	9.7	171.8	0	0	0	0	0	115.9	S656 V657 Q658	S656-G660 PolarHBondContact O-N 3.46Å; V657-G660 PolarHBondContact O-N 2.95Å; Q658-G660 PolarHBondContact O-N 3.08Å
661	Q	96	Very high	95.5	Very high	100 Å²	100	47 Å²	47	47%	0.467	24%	0.242	S	C	.	.			trans	-76.6	152.3	168	-60.5	-169.2	9.8	0	0	111.4	S656 V657	S656-Q661 VanDerWaalsContact O-CB 3.28Å; S656-Q661 WeakPolarHBondContact O-CB 3.28Å; S656-Q661 WeakPolarHBondContact O-CG 3.28Å; S656-Q661 PolarHBondContact O-N 3.08Å; V657-Q661 WeakPolarHBondContact CA-O 3.49Å
662	R	97.5	Very high	95.8	Very high	66 Å²	66	44 Å²	44	25%	0.249	23%	0.229	C	C	.	.			trans	-72.5	149.1	170.3	-59.8	-174.8	-63	164.8	2.7	110.2	R664 R690 R692 V693 E694 E717	R662-R664 PolarHBondContact O-N 3.12Å; R662-R690 WeakPolarHBondContact CD-O 2.86Å; R662-R690 PolarHBondContact NH1-O 2.89Å; R662-R692 WeakPolarHBondContact CA-O 3.31Å; R662-V693 WeakPolarHBondContact CD-O 3.44Å; R662-V693 PolarHBondContact NH1-O 2.89Å; R662-E694 HydrophobicContact CB-CB 4.05Å; R662-E694 VanDerWaalsContact NH2-CG 3.28Å; R662-E694 IonicContact NH2-OE1 3.04Å; R662-E694 PolarHBondContact NH2-OE1 3.48Å; R662-E717 IonicContact CZ-OE1 2.72Å; R662-E717 IonicContact CZ-OE2 3.4Å; R662-E717 VanDerWaalsContact CZ-OE2 3.24Å; R662-E717 IonicContact NH1-OE1 3.88Å; R662-E717 PolarHBondContact NH1-OE1 3.34Å; R662-E717 IonicContact NH1-OE2 2.78Å; R662-E717 PolarHBondContact NH1-OE2 3.49Å; R662-E717 IonicContact NH2-OE1 2.7Å; R662-E717 IonicContact NH2-OE2 3.97Å; R662-E717 PolarHBondContact NH2-OE2 3.05Å
663	L	98.1	Very high	96.1	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	99	175.5	-178.3	67.2	0	0	0	110.2	V657 I665 R692 V693 E694 H741 I742 L1125 W1129	V657-L663 HydrophobicContact CG2-CB 4.38Å; V657-L663 HydrophobicContact CG2-CD1 4.08Å; L663-I665 HydrophobicContact CG-CG1 4.46Å; L663-I665 PolarHBondContact O-N 2.66Å; L663-R692 PolarHBondContact N-O 2.94Å; L663-V693 HydrophobicContact CB-CG1 4.31Å; L663-V693 WeakPolarHBondContact O-CA 3.3Å; L663-V693 WeakPolarHBondContact O-CB 3.42Å; L663-E694 PolarHBondContact O-N 3.3Å; L663-H741 HydrophobicContact CD1-CB 3.66Å; L663-I742 HydrophobicContact CD1-CD1 4.35Å; L663-I742 HydrophobicContact CD1-CG1 4.43Å; L663-I742 HydrophobicContact CD2-CD1 4.12Å; L663-L1125 HydrophobicContact CD2-CB 4.14Å; L663-W1129 HydrophobicContact CD1-CB 3.71Å; L663-W1129 HydrophobicContact CD1-CD2 3.92Å; L663-W1129 HydrophobicContact CD1-CE3 4.27Å; L663-W1129 HydrophobicContact CD1-CG 3.65Å; L663-W1129 HydrophobicContact CD2-CB 4.32Å
664	R	98.5	Very high	96.2	Very high	68 Å²	68	39.7 Å²	39.7	26%	0.257	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	117.7	172.1	-61.1	-177.8	167.1	170.2	5.9	113.1	R662 E694 F696 D738 G739 I740 H741 I742	R662-R664 PolarHBondContact O-N 3.12Å; R664-E694 VanDerWaalsContact CA-O 3.31Å; R664-E694 WeakPolarHBondContact CA-O 3.49Å; R664-E694 HydrophobicContact CG-CB 4.02Å; R664-E694 HydrophobicContact CG-CG 4.3Å; R664-E694 WeakPolarHBondContact CG-OE2 3.45Å; R664-E694 IonicContact CZ-OE2 2.64Å; R664-E694 IonicContact NE-OE2 3.97Å; R664-E694 PolarHBondContact NE-OE2 2.87Å; R664-E694 IonicContact NH2-OE2 2.96Å; R664-E694 PolarHBondContact NH2-OE2 3.29Å; R664-F696 HydrophobicContact CB-CD2 4.47Å; R664-F696 HydrophobicContact CB-CE2 4.12Å; R664-F696 HydrophobicContact CG-CE2 3.94Å; R664-D738 WeakPolarHBondContact CD-O 3.07Å; R664-D738 PolarHBondContact NH1-O 3.23Å; R664-G739 VanDerWaalsContact CD-O 3.26Å; R664-G739 WeakPolarHBondContact CD-O 3.36Å; R664-I740 HydrophobicContact CB-CD1 4.29Å; R664-H741 VanDerWaalsContact CB-ND1 3.34Å; R664-H741 WeakPolarHBondContact CB-ND1 3.45Å; R664-H741 PolarHBondContact N-ND1 3.43Å; R664-H741 WeakPolarHBondContact O-CB 3.38Å; R664-H741 PolarHBondContact O-N 3.31Å; R664-H741 VanDerWaalsContact O-N 3.08Å; R664-I742 PolarHBondContact O-N 3.21Å
665	I	98.4	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.4	178	-59.6	161.4	0	0	0	108.6	L663 Y667 V693 E694 F696 I742 I744 L1125	L663-I665 HydrophobicContact CG-CG1 4.46Å; L663-I665 PolarHBondContact O-N 2.66Å; I665-Y667 HydrophobicContact CG2-CD2 4.26Å; I665-Y667 HydrophobicContact CG2-CE2 3.76Å; I665-V693 HydrophobicContact CD1-CB 3.87Å; I665-V693 HydrophobicContact CD1-CG1 3.71Å; I665-V693 HydrophobicContact CD1-CG2 4.38Å; I665-E694 PolarHBondContact N-O 2.9Å; I665-F696 PolarHBondContact O-N 3.29Å; I665-I742 WeakPolarHBondContact CA-O 3.32Å; I665-I744 HydrophobicContact CG2-CD1 3.55Å; I665-I744 HydrophobicContact CG2-CG1 4.28Å; I665-L1125 HydrophobicContact CD1-CD1 3.49Å; I665-L1125 VanDerWaalsContact CD1-CD1 3.49Å; I665-L1125 HydrophobicContact CG1-CD1 4.03Å; I665-L1125 HydrophobicContact CG2-CD1 4.34Å
666	G	98.6	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.9	177.5	0	0	0	0	0	112.8	F696 I742 I744	G666-F696 CarbonylContact C-O 3.54Å; G666-F696 WeakPolarHBondContact CA-O 3.46Å; G666-I742 PolarHBondContact N-O 3.17Å; G666-I744 PolarHBondContact O-N 3.45Å
667	Y	98.8	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.2	173.7	-67.1	-77.6	0	0	0	110.8	I665 M681 H688 V695 F696 Y698 I744 M746 W769 M1121	I665-Y667 HydrophobicContact CG2-CD2 4.26Å; I665-Y667 HydrophobicContact CG2-CE2 3.76Å; Y667-M681 HydrophobicContact CD1-CE 4.36Å; Y667-M681 HydrophobicContact CG-CE 4.5Å; Y667-H688 AromaticContact CZ-NE2 3.9Å; Y667-H688 PolarHBondContact OH-NE2 3.4Å; Y667-V695 HydrophobicContact CD2-CG1 3.98Å; Y667-V695 HydrophobicContact CE2-CG1 3.96Å; Y667-F696 PolarHBondContact N-O 3.01Å; Y667-Y698 PolarHBondContact O-N 3.38Å; Y667-I744 HydrophobicContact CD1-CB 4.04Å; Y667-I744 HydrophobicContact CD1-CD1 4.02Å; Y667-I744 HydrophobicContact CD1-CG2 4.1Å; Y667-I744 HydrophobicContact CE1-CB 4.37Å; Y667-I744 HydrophobicContact CE1-CD1 3.51Å; Y667-I744 HydrophobicContact CE1-CG1 4.49Å; Y667-I744 HydrophobicContact CE1-CG2 4.3Å; Y667-M746 HydrophobicContact CD1-SD 3.75Å; Y667-M746 HydrophobicContact CG-SD 4.26Å; Y667-W769 HydrophobicContact CD1-CE3 4.01Å; Y667-W769 AromaticContact CD1-CZ3 3.68Å; Y667-W769 HydrophobicContact CD1-CZ3 3.68Å; Y667-W769 AromaticContact CE1-CE3 3.72Å; Y667-W769 HydrophobicContact CE1-CE3 3.72Å; Y667-W769 HydrophobicContact CE1-CH2 4.1Å; Y667-W769 AromaticContact CE1-CZ3 3.3Å; Y667-W769 HydrophobicContact CE1-CZ3 3.3Å; Y667-M1121 HydrophobicContact CE1-CE 3.9Å; Y667-M1121 WeakPolarHBondContact OH-CE 3.32Å; Y667-M1121 PolarHBondContact OH-SD 2.97Å
668	V	98.8	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.6	-179.8	-167.6	0	0	0	0	110.3	Y698 L700 L743 I744 M746 F758	V668-Y698 WeakPolarHBondContact CA-O 3.42Å; V668-Y698 HydrophobicContact CG2-CD2 4.17Å; V668-Y698 HydrophobicContact CG2-CG 4.47Å; V668-L700 HydrophobicContact CG1-CD1 4.09Å; V668-L700 HydrophobicContact CG1-CD2 3.66Å; V668-L700 HydrophobicContact CG1-CG 3.94Å; V668-L743 HydrophobicContact CG2-CD1 3.49Å; V668-L743 VanDerWaalsContact CG2-CD1 3.49Å; V668-L743 HydrophobicContact CG2-CD2 4.25Å; V668-L743 HydrophobicContact CG2-CG 3.78Å; V668-I744 PolarHBondContact N-O 3.28Å; V668-M746 WeakPolarHBondContact O-CB 3.13Å; V668-M746 PolarHBondContact O-N 3.41Å; V668-M746 VanDerWaalsContact O-N 3.09Å; V668-F758 HydrophobicContact CB-CE2 4.01Å; V668-F758 HydrophobicContact CB-CZ 3.77Å; V668-F758 HydrophobicContact CG1-CE2 4.1Å; V668-F758 HydrophobicContact CG1-CZ 4.36Å; V668-F758 HydrophobicContact CG2-CE2 4.18Å; V668-F758 HydrophobicContact CG2-CZ 3.65Å
669	S	98.4	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	142.1	-179.8	-164.5	0	0	0	0	114.1	D671 Y698 A699 L700 N747	S669-D671 VanDerWaalsContact OG-CB 3.3Å; S669-D671 WeakPolarHBondContact OG-CB 3.3Å; S669-D671 PolarHBondContact OG-N 3.07Å; S669-Y698 PolarHBondContact N-O 3.09Å; S669-Y698 VanDerWaalsContact N-O 3.07Å; S669-A699 CarbonylContact O-C 3.43Å; S669-A699 WeakPolarHBondContact O-CA 3.5Å; S669-L700 PolarHBondContact O-N 3.03Å; S669-N747 WeakPolarHBondContact CA-OD1 3.47Å
670	S	96.8	Very high	96.6	Very high	15 Å²	15	20 Å²	20	11%	0.105	11%	0.112	C	C	.	.	S	Bend	trans	-74.8	-4.4	160.3	55.3	0	0	0	0	114.2	S701 N747 K751	S670-S701 WeakPolarHBondContact O-CB 3.31Å; S670-S701 PolarHBondContact O-OG 3.22Å; S670-N747 PolarHBondContact N-OD1 2.7Å; S670-N747 PolarHBondContact OG-ND2 2.93Å; S670-K751 PolarHBondContact OG-O 3.32Å
671	D	97.1	Very high	96.8	Very high	14 Å²	14	16.7 Å²	16.7	8%	0.075	8%	0.078	C	C	.	.			trans	-111	7.4	-159.9	-55.9	-10.4	0	0	0	113.3	S669 G673 H675 T677 S678 N747	S669-D671 VanDerWaalsContact OG-CB 3.3Å; S669-D671 WeakPolarHBondContact OG-CB 3.3Å; S669-D671 PolarHBondContact OG-N 3.07Å; D671-G673 VanDerWaalsContact C-N 3.29Å; D671-G673 PolarHBondContact O-N 3.46Å; D671-H675 HydrophobicContact CB-CB 3.95Å; D671-H675 VanDerWaalsContact CB-ND1 3.34Å; D671-H675 WeakPolarHBondContact CB-ND1 3.49Å; D671-H675 VanDerWaalsContact CG-CE1 3.49Å; D671-H675 IonicContact OD1-CE1 2.8Å; D671-H675 IonicContact OD1-ND1 3.24Å; D671-H675 IonicContact OD2-CE1 2.6Å; D671-H675 PolarHBondContact OD2-CE1 2.78Å; D671-H675 IonicContact OD2-ND1 3.72Å; D671-H675 PolarHBondContact OD2-ND1 2.68Å; D671-H675 VanDerWaalsContact OD2-ND1 3.14Å; D671-T677 HydrophobicContact CB-CG2 4.11Å; D671-T677 WeakPolarHBondContact CB-OG1 3.25Å; D671-T677 PolarHBondContact OD2-OG1 3.28Å; D671-S678 PolarHBondContact O-OG 2.97Å; D671-N747 PolarHBondContact OD1-ND2 3.47Å; D671-N747 PolarHBondContact OD2-ND2 2.88Å
672	F	97.5	Very high	96.9	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	6%	0.059	C	C	.	.	S	Bend	trans	-68.7	84.2	172.9	-61.2	-30.4	0	0	0	110.8	M681 C697 A699 R709 L712 F719 M746	F672-M681 HydrophobicContact CE1-CE 4.49Å; F672-M681 HydrophobicContact CE1-SD 4.15Å; F672-C697 HydrophobicContact CE2-CB 4.01Å; F672-C697 HydrophobicContact CZ-CB 4.4Å; F672-A699 HydrophobicContact CD2-CB 4.05Å; F672-R709 WeakPolarHBondContact O-CD 3.3Å; F672-R709 PolarHBondContact O-NH1 3.27Å; F672-L712 HydrophobicContact CB-CD1 3.74Å; F672-L712 HydrophobicContact CD1-CD1 3.58Å; F672-L712 HydrophobicContact CE1-CD1 4.46Å; F672-L712 HydrophobicContact CG-CD1 3.89Å; F672-F719 HydrophobicContact CB-CZ 4.37Å; F672-F719 HydrophobicContact CD2-CE2 4.16Å; F672-F719 HydrophobicContact CD2-CZ 4.13Å; F672-M746 HydrophobicContact CE1-CE 4.41Å; F672-M746 HydrophobicContact CE1-SD 4.07Å; F672-M746 HydrophobicContact CZ-SD 4.16Å
673	G	94.4	Very high	96.9	Very high	4 Å²	4	9.3 Å²	9.3	4%	0.041	5%	0.047	C	C	.	.	S	Bend	trans	168.8	-159	-173.2	0	0	0	0	0	109.9	D671 H675 S678 D704 F708	D671-G673 VanDerWaalsContact C-N 3.29Å; D671-G673 PolarHBondContact O-N 3.46Å; G673-H675 PolarHBondContact O-N 2.88Å; G673-S678 PolarHBondContact N-OG 2.61Å; G673-S678 WeakPolarHBondContact O-CB 3.36Å; G673-S678 PolarHBondContact O-OG 3.4Å; G673-D704 WeakPolarHBondContact CA-OD2 3.39Å; G673-F708 WeakPolarHBondContact O-CB 3.48Å
674	N	93.7	Very high	96.9	Very high	13 Å²	13	8.9 Å²	8.9	7%	0.07	4%	0.044	C	C	.	.	S	Bend	trans	-73.8	92	174.4	-161	-6.7	0	0	0	110.4	G15 H679 D704 T706 F708	G15-N674 VanDerWaalsContact C-OD1 3.28Å; G15-N674 WeakPolarHBondContact CA-OD1 3.32Å; G15-N674 CarbonylContact O-C 3.57Å; G15-N674 VanDerWaalsContact O-CB 3.31Å; G15-N674 WeakPolarHBondContact O-CB 3.3Å; G15-N674 PolarHBondContact O-ND2 3.36Å; G15-N674 PolarHBondContact O-OD1 2.98Å; N674-H679 PolarHBondContact OD1-CE1 2.85Å; N674-H679 PolarHBondContact OD1-NE2 3.45Å; N674-D704 PolarHBondContact N-OD2 3.34Å; N674-T706 HydrophobicContact CB-CG2 3.9Å; N674-F708 HydrophobicContact CB-CD2 3.85Å; N674-F708 HydrophobicContact CB-CE2 4.03Å
675	H	93.1	Very high	96.8	Very high	28 Å²	28	5.7 Å²	5.7	13%	0.13	3%	0.032	C	C	.	.	S	Bend	trans	-155.2	151.4	179.6	-166.5	-105.9	0	0	0	109.3	D671 G673 T677 S678 H679	D671-H675 HydrophobicContact CB-CB 3.95Å; D671-H675 VanDerWaalsContact CB-ND1 3.34Å; D671-H675 WeakPolarHBondContact CB-ND1 3.49Å; D671-H675 VanDerWaalsContact CG-CE1 3.49Å; D671-H675 IonicContact OD1-CE1 2.8Å; D671-H675 IonicContact OD1-ND1 3.24Å; D671-H675 IonicContact OD2-CE1 2.6Å; D671-H675 PolarHBondContact OD2-CE1 2.78Å; D671-H675 IonicContact OD2-ND1 3.72Å; D671-H675 PolarHBondContact OD2-ND1 2.68Å; D671-H675 VanDerWaalsContact OD2-ND1 3.14Å; G673-H675 PolarHBondContact O-N 2.88Å; H675-T677 PolarHBondContact ND1-N 3.37Å; H675-T677 PolarHBondContact ND1-OG1 2.9Å; H675-T677 PolarHBondContact O-N 3.28Å; H675-S678 PolarHBondContact O-N 2.85Å; H675-H679 PolarHBondContact O-CD2 2.99Å; H675-H679 PolarHBondContact O-N 3.16Å
676	P	92.4	Very high	96.8	Very high	17 Å²	17	6.9 Å²	6.9	11%	0.11	5%	0.045	C	C	.	.	H	α-helix	trans	-50.3	-36.8	177.4	-32.6	39.2	0	0	0	113.9	I14 S678 H679 L680 T1036	I14-P676 HydrophobicContact CB-CG 3.92Å; I14-P676 HydrophobicContact CG2-CG 4.41Å; I14-P676 VanDerWaalsContact O-CD 3.22Å; I14-P676 WeakPolarHBondContact O-CD 3.22Å; I14-P676 VanDerWaalsContact O-CG 3.28Å; I14-P676 WeakPolarHBondContact O-CG 3.44Å; P676-S678 PolarHBondContact O-N 3.22Å; P676-H679 PolarHBondContact O-N 2.96Å; P676-L680 VanDerWaalsContact O-CG 3.29Å; P676-L680 WeakPolarHBondContact O-CG 3.2Å; P676-L680 PolarHBondContact O-N 2.93Å; P676-L680 VanDerWaalsContact O-N 3.16Å; P676-T1036 HydrophobicContact CB-CG2 4.13Å
677	T	95.8	Very high	96.7	Very high	8 Å²	8	10.3 Å²	10.3	5%	0.049	6%	0.062	C	C	.	.	H	α-helix	trans	-53.1	-53.5	175.7	-44.2	0	0	0	0	111.5	D671 H675 H679 L680 M681 M746	D671-T677 HydrophobicContact CB-CG2 4.11Å; D671-T677 WeakPolarHBondContact CB-OG1 3.25Å; D671-T677 PolarHBondContact OD2-OG1 3.28Å; H675-T677 PolarHBondContact ND1-N 3.37Å; H675-T677 PolarHBondContact ND1-OG1 2.9Å; H675-T677 PolarHBondContact O-N 3.28Å; T677-H679 PolarHBondContact O-N 2.96Å; T677-L680 PolarHBondContact O-N 3.14Å; T677-L680 VanDerWaalsContact O-N 3.16Å; T677-M681 WeakPolarHBondContact O-CG 3.34Å; T677-M681 PolarHBondContact O-N 3.45Å; T677-M746 HydrophobicContact CG2-CE 3.61Å
678	S	97.2	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.3	-38.6	176.6	-58.4	0	0	0	0	112.9	D671 G673 H675 P676 L680 M681 Q682	D671-S678 PolarHBondContact O-OG 2.97Å; G673-S678 PolarHBondContact N-OG 2.61Å; G673-S678 WeakPolarHBondContact O-CB 3.36Å; G673-S678 PolarHBondContact O-OG 3.4Å; H675-S678 PolarHBondContact O-N 2.85Å; P676-S678 PolarHBondContact O-N 3.22Å; S678-L680 PolarHBondContact O-N 3.03Å; S678-M681 PolarHBondContact O-N 3.4Å; S678-Q682 VanDerWaalsContact O-CB 3.24Å; S678-Q682 WeakPolarHBondContact O-CB 3.5Å; S678-Q682 WeakPolarHBondContact O-CG 3.4Å; S678-Q682 PolarHBondContact O-N 2.95Å
679	H	96.7	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-16.3	176.8	-54	163.4	0	0	0	113.1	I14 N674 H675 P676 T677 F708 D814 M818	I14-H679 PolarHBondContact O-CE1 2.93Å; N674-H679 PolarHBondContact OD1-CE1 2.85Å; N674-H679 PolarHBondContact OD1-NE2 3.45Å; H675-H679 PolarHBondContact O-CD2 2.99Å; H675-H679 PolarHBondContact O-N 3.16Å; P676-H679 PolarHBondContact O-N 2.96Å; T677-H679 PolarHBondContact O-N 2.96Å; H679-F708 AromaticContact CD2-CE1 3.51Å; H679-F708 AromaticContact CD2-CZ 3.58Å; H679-F708 AromaticContact NE2-CE2 3.8Å; H679-F708 AromaticContact NE2-CZ 3.58Å; H679-D814 WeakPolarHBondContact O-CB 3.46Å; H679-D814 PolarHBondContact O-N 3.39Å; H679-M818 HydrophobicContact CB-CE 4.33Å; H679-M818 HydrophobicContact CB-SD 4.25Å
680	L	97.8	Very high	96.5	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.037	10%	0.101	C	C	.	.	H	α-helix	trans	-98.3	-34.5	177.7	-63.3	177	0	0	0	113.5	P676 T677 S678 L770 F811 I812 D814 T1036 M1039	P676-L680 VanDerWaalsContact O-CG 3.29Å; P676-L680 WeakPolarHBondContact O-CG 3.2Å; P676-L680 PolarHBondContact O-N 2.93Å; P676-L680 VanDerWaalsContact O-N 3.16Å; T677-L680 PolarHBondContact O-N 3.14Å; T677-L680 VanDerWaalsContact O-N 3.16Å; S678-L680 PolarHBondContact O-N 3.03Å; L680-L770 HydrophobicContact CB-CD2 4.15Å; L680-L770 HydrophobicContact CD1-CD1 4.12Å; L680-L770 HydrophobicContact CD1-CG 4.44Å; L680-F811 HydrophobicContact CD1-CE1 3.55Å; L680-F811 HydrophobicContact CD1-CE2 4.4Å; L680-F811 HydrophobicContact CD1-CZ 3.44Å; L680-F811 VanDerWaalsContact CD1-CZ 3.44Å; L680-F811 HydrophobicContact CD2-CE1 3.86Å; L680-F811 HydrophobicContact CG-CE1 4.34Å; L680-I812 WeakPolarHBondContact CB-O 3.22Å; L680-I812 VanDerWaalsContact CD2-O 3.22Å; L680-I812 WeakPolarHBondContact CD2-O 3.29Å; L680-D814 PolarHBondContact O-N 2.93Å; L680-T1036 HydrophobicContact CD2-CG2 3.99Å; L680-T1036 HydrophobicContact CG-CG2 4.41Å; L680-M1039 HydrophobicContact CD2-CG 4.26Å
681	M	97.6	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-129.3	3.8	-167.7	69.1	76.3	65	0	0	116.7	Y667 F672 T677 S678 S683 I684 P685 L712 M746 W769 L770	Y667-M681 HydrophobicContact CD1-CE 4.36Å; Y667-M681 HydrophobicContact CG-CE 4.5Å; F672-M681 HydrophobicContact CE1-CE 4.49Å; F672-M681 HydrophobicContact CE1-SD 4.15Å; T677-M681 WeakPolarHBondContact O-CG 3.34Å; T677-M681 PolarHBondContact O-N 3.45Å; S678-M681 PolarHBondContact O-N 3.4Å; M681-S683 PolarHBondContact O-N 3.47Å; M681-I684 HydrophobicContact CB-CD1 3.97Å; M681-I684 HydrophobicContact CB-CG1 4.4Å; M681-I684 WeakPolarHBondContact O-CB 3.44Å; M681-I684 PolarHBondContact O-N 3.19Å; M681-P685 HydrophobicContact CE-CG 3.95Å; M681-P685 WeakPolarHBondContact O-CD 3.47Å; M681-L712 HydrophobicContact SD-CD2 4.24Å; M681-M746 HydrophobicContact CE-CE 3.66Å; M681-M746 HydrophobicContact CE-SD 4.12Å; M681-M746 HydrophobicContact CG-CE 3.53Å; M681-M746 HydrophobicContact SD-CE 3.71Å; M681-W769 HydrophobicContact CB-CH2 4.01Å; M681-W769 HydrophobicContact CE-CH2 4.24Å; M681-W769 HydrophobicContact CE-CZ3 3.98Å; M681-W769 HydrophobicContact CG-CH2 4.46Å; M681-L770 HydrophobicContact CB-CD2 3.95Å; M681-L770 HydrophobicContact CG-CD2 4.04Å
682	Q	97.6	Very high	96.5	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28	-171.8	60.2	173.2	-20.2	0	0	115.4	S678 F708 K711 L712 D814	S678-Q682 VanDerWaalsContact O-CB 3.24Å; S678-Q682 WeakPolarHBondContact O-CB 3.5Å; S678-Q682 WeakPolarHBondContact O-CG 3.4Å; S678-Q682 PolarHBondContact O-N 2.95Å; Q682-F708 VanDerWaalsContact OE1-CD1 3.24Å; Q682-K711 HydrophobicContact CB-CD 4.26Å; Q682-K711 HydrophobicContact CG-CD 4.04Å; Q682-K711 WeakPolarHBondContact O-CE 3.48Å; Q682-L712 HydrophobicContact CB-CG 4.39Å; Q682-D814 HydrophobicContact CG-CB 4.1Å; Q682-D814 WeakPolarHBondContact CG-OD2 3.44Å; Q682-D814 PolarHBondContact NE2-OD2 2.9Å
683	S	97.9	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.7	175.3	-57.6	0	0	0	0	114.9	M681 G686 M687 K711 D814	M681-S683 PolarHBondContact O-N 3.47Å; S683-G686 PolarHBondContact O-N 3.44Å; S683-G686 VanDerWaalsContact O-N 3.1Å; S683-M687 WeakPolarHBondContact O-CB 3.27Å; S683-M687 WeakPolarHBondContact O-CG 3.46Å; S683-M687 PolarHBondContact O-N 3.43Å; S683-K711 WeakPolarHBondContact OG-CE 3.39Å; S683-K711 PolarHBondContact OG-NZ 3.15Å; S683-D814 WeakPolarHBondContact CB-OD1 3.14Å; S683-D814 PolarHBondContact N-OD1 2.86Å; S683-D814 PolarHBondContact OG-OD1 3Å
684	I	98.2	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.6	-47.6	-176.5	-73	-179.8	0	0	0	112.1	M681 G686 M687 H688 W769 I812 V1114 Y1117	M681-I684 HydrophobicContact CB-CD1 3.97Å; M681-I684 HydrophobicContact CB-CG1 4.4Å; M681-I684 WeakPolarHBondContact O-CB 3.44Å; M681-I684 PolarHBondContact O-N 3.19Å; I684-G686 PolarHBondContact O-N 3.02Å; I684-G686 VanDerWaalsContact O-N 3.13Å; I684-M687 PolarHBondContact O-N 3.34Å; I684-M687 VanDerWaalsContact O-N 3.13Å; I684-H688 PolarHBondContact O-CD2 3.42Å; I684-H688 PolarHBondContact O-N 3.27Å; I684-W769 HydrophobicContact CD1-CH2 3.77Å; I684-W769 HydrophobicContact CD1-CZ2 3.94Å; I684-W769 HydrophobicContact CG2-CH2 4.45Å; I684-I812 HydrophobicContact CD1-CG1 4.35Å; I684-I812 HydrophobicContact CD1-CG2 3.87Å; I684-V1114 HydrophobicContact CD1-CG1 4.5Å; I684-V1114 HydrophobicContact CG1-CG1 3.58Å; I684-Y1117 HydrophobicContact CD1-CD1 3.74Å; I684-Y1117 HydrophobicContact CD1-CE1 3.87Å
685	P	97	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-27.4	176.9	-28.6	38.8	0	0	0	114.8	M681 V695 L712	M681-P685 HydrophobicContact CE-CG 3.95Å; M681-P685 WeakPolarHBondContact O-CD 3.47Å; P685-V695 HydrophobicContact CB-CG1 3.91Å; P685-L712 HydrophobicContact CG-CD2 3.81Å
686	G	96.9	Very high	97.1	Very high	26 Å²	26	25.5 Å²	25.5	27%	0.268	13%	0.133	S	C	.	.	H	α-helix	trans	-87.9	-23.3	177.1	0	0	0	0	0	115.1	S683 I684	S683-G686 PolarHBondContact O-N 3.44Å; S683-G686 VanDerWaalsContact O-N 3.1Å; I684-G686 PolarHBondContact O-N 3.02Å; I684-G686 VanDerWaalsContact O-N 3.13Å
687	M	97.6	Very high	97.4	Very high	71 Å²	71	24.7 Å²	24.7	35%	0.35	13%	0.128	S	C	.	.	H	α-helix	trans	-96.3	-8.5	-174.5	-72.7	-173.8	178.6	0	0	114.6	S683 I684 Q817 V1114	S683-M687 WeakPolarHBondContact O-CB 3.27Å; S683-M687 WeakPolarHBondContact O-CG 3.46Å; S683-M687 PolarHBondContact O-N 3.43Å; I684-M687 PolarHBondContact O-N 3.34Å; I684-M687 VanDerWaalsContact O-N 3.13Å; M687-Q817 HydrophobicContact CE-CG 4.04Å; M687-V1114 HydrophobicContact SD-CB 3.75Å; M687-V1114 HydrophobicContact SD-CG1 3.61Å
688	H	97.9	Very high	97.6	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.032	13%	0.126	C	C	.	.	S	Bend	trans	-58.1	143.8	171.5	-89.7	-52.9	0	0	0	113.9	Y667 I684 R690 V693 V695 E1122	Y667-H688 AromaticContact CZ-NE2 3.9Å; Y667-H688 PolarHBondContact OH-NE2 3.4Å; I684-H688 PolarHBondContact O-CD2 3.42Å; I684-H688 PolarHBondContact O-N 3.27Å; H688-R690 PolarHBondContact O-N 2.91Å; H688-V693 HydrophobicContact CB-CG2 3.65Å; H688-V695 HydrophobicContact CB-CG2 3.87Å; H688-E1122 VanDerWaalsContact CA-OE1 3.3Å; H688-E1122 WeakPolarHBondContact CA-OE1 3.19Å; H688-E1122 IonicContact CE1-OE1 3.4Å; H688-E1122 IonicContact CG-OE1 4Å; H688-E1122 WeakPolarHBondContact ND1-CG 3.44Å; H688-E1122 IonicContact ND1-OE1 2.7Å; H688-E1122 PolarHBondContact ND1-OE1 2.91Å
689	D	97.7	Very high	97.6	Very high	70 Å²	70	24.3 Å²	24.3	37%	0.374	13%	0.126	S	C	.	.			trans	-71.8	94.9	171.9	-176.1	-4.3	0	0	0	110.7	S691 R692 V693 E1122	D689-S691 PolarHBondContact O-N 2.94Å; D689-S691 VanDerWaalsContact OD1-CB 3.24Å; D689-S691 WeakPolarHBondContact OD1-CB 3.23Å; D689-S691 PolarHBondContact OD1-N 3.24Å; D689-S691 PolarHBondContact OD1-OG 2.94Å; D689-S691 PolarHBondContact OD2-OG 3.23Å; D689-S691 VanDerWaalsContact OD2-OG 3.11Å; D689-R692 HydrophobicContact CB-CG 4.22Å; D689-R692 PolarHBondContact O-N 2.98Å; D689-R692 VanDerWaalsContact OD2-CD 3.28Å; D689-R692 WeakPolarHBondContact OD2-CD 3.4Å; D689-R692 WeakPolarHBondContact OD2-CG 3.44Å; D689-V693 PolarHBondContact O-N 3.21Å; D689-E1122 PolarHBondContact N-OE1 3.24Å
690	R	96.1	Very high	97.6	Very high	110 Å²	110	25.1 Å²	25.1	42%	0.415	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-6.9	176.7	-62.3	-176.1	-178.7	-174.7	-2.7	114.3	R662 H688 E715 E717	R662-R690 WeakPolarHBondContact CD-O 2.86Å; R662-R690 PolarHBondContact NH1-O 2.89Å; H688-R690 PolarHBondContact O-N 2.91Å; R690-E715 PolarHBondContact NH2-O 2.95Å; R690-E717 HydrophobicContact CG-CG 4.49Å
691	S	96.3	Very high	97.4	Very high	91 Å²	91	26.3 Å²	26.3	64%	0.636	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-24.9	168.4	77.5	0	0	0	0	112.8	D689	D689-S691 PolarHBondContact O-N 2.94Å; D689-S691 VanDerWaalsContact OD1-CB 3.24Å; D689-S691 WeakPolarHBondContact OD1-CB 3.23Å; D689-S691 PolarHBondContact OD1-N 3.24Å; D689-S691 PolarHBondContact OD1-OG 2.94Å; D689-S691 PolarHBondContact OD2-OG 3.23Å; D689-S691 VanDerWaalsContact OD2-OG 3.11Å
692	R	96.2	Very high	97.2	Very high	85 Å²	85	30.8 Å²	30.8	32%	0.321	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-42.9	-176.9	-57.7	173.7	68.6	-166.2	10	112.6	R662 L663 D689 E1122 D1123	R662-R692 WeakPolarHBondContact CA-O 3.31Å; L663-R692 PolarHBondContact N-O 2.94Å; D689-R692 HydrophobicContact CB-CG 4.22Å; D689-R692 PolarHBondContact O-N 2.98Å; D689-R692 VanDerWaalsContact OD2-CD 3.28Å; D689-R692 WeakPolarHBondContact OD2-CD 3.4Å; D689-R692 WeakPolarHBondContact OD2-CG 3.44Å; R692-E1122 IonicContact CZ-OE2 3.74Å; R692-E1122 IonicContact NE-OE2 2.74Å; R692-E1122 VanDerWaalsContact NH1-CB 3.3Å; R692-E1122 IonicContact NH1-OE2 3.12Å; R692-E1122 PolarHBondContact NH1-OE2 3.41Å; R692-D1123 IonicContact CZ-OD1 3.72Å; R692-D1123 IonicContact NH1-OD1 2.71Å; R692-D1123 PolarHBondContact NH1-OD1 2.82Å; R692-D1123 VanDerWaalsContact NH1-OD1 3.11Å; R692-D1123 IonicContact NH2-OD1 3.98Å; R692-D1123 PolarHBondContact NH2-OD1 3.5Å
693	V	97.4	Very high	97.2	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	161.8	-172.7	-56.7	0	0	0	0	112.2	R662 L663 I665 H688 D689 V695 E1122	R662-V693 WeakPolarHBondContact CD-O 3.44Å; R662-V693 PolarHBondContact NH1-O 2.89Å; L663-V693 HydrophobicContact CB-CG1 4.31Å; L663-V693 WeakPolarHBondContact O-CA 3.3Å; L663-V693 WeakPolarHBondContact O-CB 3.42Å; I665-V693 HydrophobicContact CD1-CB 3.87Å; I665-V693 HydrophobicContact CD1-CG1 3.71Å; I665-V693 HydrophobicContact CD1-CG2 4.38Å; H688-V693 HydrophobicContact CB-CG2 3.65Å; D689-V693 PolarHBondContact O-N 3.21Å; V693-V695 HydrophobicContact CG2-CG2 4.13Å; V693-E1122 HydrophobicContact CG1-CG 3.93Å
694	E	98.1	Very high	97	Very high	23 Å²	23	36.9 Å²	36.9	11%	0.107	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.9	171.8	177.2	167	-140.2	0	0	109.2	R662 L663 R664 I665 F696 E717 H718	R662-E694 HydrophobicContact CB-CB 4.05Å; R662-E694 VanDerWaalsContact NH2-CG 3.28Å; R662-E694 IonicContact NH2-OE1 3.04Å; R662-E694 PolarHBondContact NH2-OE1 3.48Å; L663-E694 PolarHBondContact O-N 3.3Å; R664-E694 VanDerWaalsContact CA-O 3.31Å; R664-E694 WeakPolarHBondContact CA-O 3.49Å; R664-E694 HydrophobicContact CG-CB 4.02Å; R664-E694 HydrophobicContact CG-CG 4.3Å; R664-E694 WeakPolarHBondContact CG-OE2 3.45Å; R664-E694 IonicContact CZ-OE2 2.64Å; R664-E694 IonicContact NE-OE2 3.97Å; R664-E694 PolarHBondContact NE-OE2 2.87Å; R664-E694 IonicContact NH2-OE2 2.96Å; R664-E694 PolarHBondContact NH2-OE2 3.29Å; I665-E694 PolarHBondContact N-O 2.9Å; E694-F696 HydrophobicContact CG-CD2 4.41Å; E694-F696 HydrophobicContact CG-CE2 3.73Å; E694-F696 HydrophobicContact CG-CZ 4.46Å; E694-E717 VanDerWaalsContact CA-OE1 3.31Å; E694-E717 WeakPolarHBondContact CA-OE1 3.36Å; E694-H718 IonicContact OE1-CD2 3.96Å; E694-H718 IonicContact OE1-CE1 3.95Å; E694-H718 IonicContact OE1-NE2 3.36Å; E694-H718 PolarHBondContact OE1-NE2 3.33Å
695	V	98.3	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.8	-165.4	-174.2	0	0	0	0	113.1	Y667 P685 H688 V693 E717 H718	Y667-V695 HydrophobicContact CD2-CG1 3.98Å; Y667-V695 HydrophobicContact CE2-CG1 3.96Å; P685-V695 HydrophobicContact CB-CG1 3.91Å; H688-V695 HydrophobicContact CB-CG2 3.87Å; V693-V695 HydrophobicContact CG2-CG2 4.13Å; V695-E717 PolarHBondContact N-OE1 3.49Å; V695-E717 VanDerWaalsContact N-OE1 3.09Å; V695-E717 PolarHBondContact O-N 2.62Å; V695-H718 PolarHBondContact O-N 3.08Å; V695-H718 VanDerWaalsContact O-N 3.11Å
696	F	98.6	Very high	96.9	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136	172.9	-66.1	-107.4	0	0	0	111.1	R664 I665 G666 Y667 E694 Y698 H718 D738 I740	R664-F696 HydrophobicContact CB-CD2 4.47Å; R664-F696 HydrophobicContact CB-CE2 4.12Å; R664-F696 HydrophobicContact CG-CE2 3.94Å; I665-F696 PolarHBondContact O-N 3.29Å; G666-F696 CarbonylContact C-O 3.54Å; G666-F696 WeakPolarHBondContact CA-O 3.46Å; Y667-F696 PolarHBondContact N-O 3.01Å; E694-F696 HydrophobicContact CG-CD2 4.41Å; E694-F696 HydrophobicContact CG-CE2 3.73Å; E694-F696 HydrophobicContact CG-CZ 4.46Å; F696-Y698 HydrophobicContact CB-CD2 4.41Å; F696-Y698 HydrophobicContact CB-CE2 3.69Å; F696-Y698 HydrophobicContact CG-CE2 4.5Å; F696-H718 CarbonylContact C-O 3.6Å; F696-H718 WeakPolarHBondContact CA-O 3.25Å; F696-H718 HydrophobicContact CB-CB 4.45Å; F696-H718 HydrophobicContact CD1-CB 3.33Å; F696-H718 AromaticContact CD1-CD2 3.93Å; F696-H718 AromaticContact CD1-CG 3.74Å; F696-H718 HydrophobicContact CE1-CB 3.6Å; F696-H718 AromaticContact CE1-CD2 3.54Å; F696-H718 AromaticContact CE1-CG 3.45Å; F696-H718 VanDerWaalsContact CE1-CG 3.45Å; F696-H718 AromaticContact CE2-CD2 3.67Å; F696-H718 HydrophobicContact CG-CB 3.88Å; F696-H718 HydrophobicContact CZ-CB 4.35Å; F696-H718 AromaticContact CZ-CD2 3.39Å; F696-H718 WeakPolarHBondContact CZ-CD2 3.42Å; F696-H718 AromaticContact CZ-CG 3.82Å; F696-H718 AromaticContact CZ-NE2 3.73Å; F696-D738 HydrophobicContact CD1-CB 4.19Å; F696-D738 HydrophobicContact CE1-CB 3.78Å; F696-D738 HydrophobicContact CZ-CB 4.32Å; F696-I740 HydrophobicContact CB-CD1 3.85Å; F696-I740 HydrophobicContact CD1-CD1 4.05Å; F696-I740 HydrophobicContact CD2-CD1 3.37Å; F696-I740 HydrophobicContact CE1-CD1 4.46Å; F696-I740 HydrophobicContact CE2-CD1 3.84Å; F696-I740 HydrophobicContact CG-CD1 3.5Å; F696-I740 HydrophobicContact CZ-CD1 4.37Å
697	C	98.7	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.6	172.2	-73.8	0	0	0	0	110.6	F672 H718 F719 V720	F672-C697 HydrophobicContact CE2-CB 4.01Å; F672-C697 HydrophobicContact CZ-CB 4.4Å; C697-H718 PolarHBondContact N-O 3.42Å; C697-F719 HydrophobicContact CB-CD2 3.56Å; C697-F719 HydrophobicContact CB-CE2 3.8Å; C697-F719 HydrophobicContact CB-CG 4.42Å; C697-V720 PolarHBondContact O-N 3.48Å
698	Y	98.7	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	101.5	-179	-66.5	-77.6	0	0	0	110.8	Y667 V668 S669 F696 V720 L722 I735 D738 I740 L743	Y667-Y698 PolarHBondContact O-N 3.38Å; V668-Y698 WeakPolarHBondContact CA-O 3.42Å; V668-Y698 HydrophobicContact CG2-CD2 4.17Å; V668-Y698 HydrophobicContact CG2-CG 4.47Å; S669-Y698 PolarHBondContact N-O 3.09Å; S669-Y698 VanDerWaalsContact N-O 3.07Å; F696-Y698 HydrophobicContact CB-CD2 4.41Å; F696-Y698 HydrophobicContact CB-CE2 3.69Å; F696-Y698 HydrophobicContact CG-CE2 4.5Å; Y698-V720 WeakPolarHBondContact CA-O 3.47Å; Y698-V720 HydrophobicContact CD1-CB 3.64Å; Y698-V720 HydrophobicContact CD1-CG1 3.95Å; Y698-V720 HydrophobicContact CD1-CG2 4.21Å; Y698-V720 HydrophobicContact CE1-CB 3.79Å; Y698-V720 HydrophobicContact CE1-CG1 4.05Å; Y698-V720 HydrophobicContact CE1-CG2 3.85Å; Y698-L722 HydrophobicContact CD1-CD1 3.84Å; Y698-L722 HydrophobicContact CD1-CD2 4.23Å; Y698-L722 HydrophobicContact CD1-CG 4.03Å; Y698-L722 HydrophobicContact CG-CD1 4.15Å; Y698-I735 HydrophobicContact CD1-CG1 3.88Å; Y698-I735 HydrophobicContact CD2-CG1 4.41Å; Y698-I735 HydrophobicContact CE1-CG1 3.64Å; Y698-I735 HydrophobicContact CE2-CG1 4.18Å; Y698-I735 HydrophobicContact CG-CG1 4.27Å; Y698-D738 WeakPolarHBondContact CE1-OD2 3.28Å; Y698-D738 WeakPolarHBondContact OH-CB 3.13Å; Y698-D738 VanDerWaalsContact OH-CG 3.3Å; Y698-D738 PolarHBondContact OH-OD2 3.33Å; Y698-I740 HydrophobicContact CE2-CD1 4.11Å; Y698-I740 HydrophobicContact CE2-CG1 4.01Å; Y698-I740 WeakPolarHBondContact OH-CG1 3.45Å; Y698-L743 HydrophobicContact CD2-CD1 4.3Å; Y698-L743 HydrophobicContact CE2-CD1 4.29Å
699	A	98.5	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.5	178.4	0	0	0	0	0	111.6	S669 F672 R709 F719 V720 L722 S723	S669-A699 CarbonylContact O-C 3.43Å; S669-A699 WeakPolarHBondContact O-CA 3.5Å; F672-A699 HydrophobicContact CD2-CB 4.05Å; A699-R709 VanDerWaalsContact CB-NH2 3.29Å; A699-F719 HydrophobicContact CB-CE1 3.75Å; A699-F719 HydrophobicContact CB-CZ 3.72Å; A699-V720 PolarHBondContact N-O 3.3Å; A699-L722 WeakPolarHBondContact O-CA 3.49Å; A699-L722 WeakPolarHBondContact O-CB 3.41Å; A699-L722 PolarHBondContact O-N 2.99Å; A699-S723 PolarHBondContact O-N 3.22Å
700	L	96.7	Very high	96.8	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.089	21%	0.208	C	C	.	.	S	Bend	trans	-87	-13.8	170.7	-51	-175.5	0	0	0	112.4	V668 S669 L722 R754 I757	V668-L700 HydrophobicContact CG1-CD1 4.09Å; V668-L700 HydrophobicContact CG1-CD2 3.66Å; V668-L700 HydrophobicContact CG1-CG 3.94Å; S669-L700 PolarHBondContact O-N 3.03Å; L700-L722 HydrophobicContact CD2-CB 4.19Å; L700-L722 HydrophobicContact CD2-CD1 4.04Å; L700-R754 HydrophobicContact CD1-CB 3.95Å; L700-R754 HydrophobicContact CD1-CG 4.2Å; L700-I757 HydrophobicContact CD2-CD1 4.07Å
701	S	93.3	Very high	96.9	Very high	31 Å²	31	33 Å²	33	22%	0.217	20%	0.198	C	C	.	.	S	Bend	trans	-107.4	147.5	179.2	53.1	0	0	0	0	112.4	S670 R709	S670-S701 WeakPolarHBondContact O-CB 3.31Å; S670-S701 PolarHBondContact O-OG 3.22Å; S701-R709 PolarHBondContact O-NH1 2.93Å; S701-R709 VanDerWaalsContact O-NH1 3.17Å; S701-R709 PolarHBondContact O-NH2 3.32Å
702	V	94.1	Very high	96.9	Very high	95 Å²	95	28.7 Å²	28.7	58%	0.576	17%	0.168	S	C	*	.			trans	-58	152	168.1	-62.8	0	0	0	0	110.6	D704 S723	V702-D704 PolarHBondContact O-N 3.46Å; V702-S723 WeakPolarHBondContact CG1-OG 3.44Å
703	N	96.3	Very high	97	Very high	71 Å²	71	28.3 Å²	28.3	38%	0.38	17%	0.171	S	C	.	.			trans	-61	125.7	173.6	-173.5	-11.4	0	0	0	110.3	G705 R709	N703-G705 PolarHBondContact OD1-N 2.86Å; N703-R709 HydrophobicContact CB-CG 4.21Å; N703-R709 WeakPolarHBondContact OD1-CG 3.25Å
704	D	94	Very high	97	Very high	68 Å²	68	34.5 Å²	34.5	36%	0.364	20%	0.203	S	C	.	.			trans	-91	1	-179.8	67	-2.8	0	0	0	113.8	G673 N674 V702 T706	G673-D704 WeakPolarHBondContact CA-OD2 3.39Å; N674-D704 PolarHBondContact N-OD2 3.34Å; V702-D704 PolarHBondContact O-N 3.46Å; D704-T706 VanDerWaalsContact C-N 3.33Å; D704-T706 HydrophobicContact CB-CG2 4.45Å; D704-T706 VanDerWaalsContact CG-CG2 3.47Å; D704-T706 WeakPolarHBondContact OD1-CB 3.39Å; D704-T706 VanDerWaalsContact OD1-CG2 3.3Å; D704-T706 WeakPolarHBondContact OD1-CG2 3.04Å; D704-T706 PolarHBondContact OD1-N 3.07Å; D704-T706 VanDerWaalsContact OD1-N 3.14Å; D704-T706 PolarHBondContact OD1-OG1 3.17Å; D704-T706 PolarHBondContact OD2-OG1 3Å
705	G	96	Very high	96.9	Very high	60 Å²	60	36.3 Å²	36.3	62%	0.619	21%	0.212	S	C	*	.	S	Bend	trans	82.5	3.8	178.6	0	0	0	0	0	114.8	N703	N703-G705 PolarHBondContact OD1-N 2.86Å
706	T	96.6	Very high	96.7	Very high	14 Å²	14	36.7 Å²	36.7	9%	0.086	22%	0.215	C	C	.	.			trans	-82.7	157.4	-173.3	64.3	0	0	0	0	113.2	N674 D704 F708 R709 S710 E926	N674-T706 HydrophobicContact CB-CG2 3.9Å; D704-T706 VanDerWaalsContact C-N 3.33Å; D704-T706 HydrophobicContact CB-CG2 4.45Å; D704-T706 VanDerWaalsContact CG-CG2 3.47Å; D704-T706 WeakPolarHBondContact OD1-CB 3.39Å; D704-T706 VanDerWaalsContact OD1-CG2 3.3Å; D704-T706 WeakPolarHBondContact OD1-CG2 3.04Å; D704-T706 PolarHBondContact OD1-N 3.07Å; D704-T706 VanDerWaalsContact OD1-N 3.14Å; D704-T706 PolarHBondContact OD1-OG1 3.17Å; D704-T706 PolarHBondContact OD2-OG1 3Å; T706-F708 PolarHBondContact O-N 3.43Å; T706-R709 PolarHBondContact O-N 3.32Å; T706-R709 PolarHBondContact OG1-N 3.49Å; T706-S710 PolarHBondContact O-N 3.01Å; T706-S710 PolarHBondContact O-OG 3.36Å; T706-E926 WeakPolarHBondContact CA-OE2 3.47Å; T706-E926 WeakPolarHBondContact CB-OE2 3.41Å
707	N	97.2	Very high	96.7	Very high	39 Å²	39	39 Å²	39	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-30.5	171.8	-69.6	1.4	0	0	0	111.3	S710 K711 K921 E926 E927	N707-S710 PolarHBondContact O-N 2.83Å; N707-K711 WeakPolarHBondContact O-CB 3.49Å; N707-K711 PolarHBondContact O-N 3.44Å; N707-K921 PolarHBondContact OD1-NZ 3.02Å; N707-E926 HydrophobicContact CB-CB 3.77Å; N707-E926 HydrophobicContact CB-CG 4.06Å; N707-E926 PolarHBondContact N-OE2 3.26Å; N707-E926 PolarHBondContact ND2-O 2.91Å; N707-E927 WeakPolarHBondContact ND2-CG 3.32Å; N707-E927 PolarHBondContact ND2-OE1 3.49Å
708	F	96.7	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-52.3	175	-58.2	-70.7	0	0	0	111.6	G673 N674 H679 Q682 T706 S710 K711 L712 M818 T924 E926	G673-F708 WeakPolarHBondContact O-CB 3.48Å; N674-F708 HydrophobicContact CB-CD2 3.85Å; N674-F708 HydrophobicContact CB-CE2 4.03Å; H679-F708 AromaticContact CD2-CE1 3.51Å; H679-F708 AromaticContact CD2-CZ 3.58Å; H679-F708 AromaticContact NE2-CE2 3.8Å; H679-F708 AromaticContact NE2-CZ 3.58Å; Q682-F708 VanDerWaalsContact OE1-CD1 3.24Å; T706-F708 PolarHBondContact O-N 3.43Å; F708-S710 VanDerWaalsContact C-N 3.34Å; F708-K711 PolarHBondContact O-N 3.4Å; F708-L712 PolarHBondContact O-N 3.44Å; F708-M818 HydrophobicContact CE1-SD 3.83Å; F708-M818 HydrophobicContact CZ-SD 4.32Å; F708-T924 WeakPolarHBondContact CZ-O 3.25Å; F708-E926 HydrophobicContact CD2-CG 3.71Å; F708-E926 HydrophobicContact CE2-CG 3.33Å; F708-E926 HydrophobicContact CZ-CG 3.89Å
709	R	97.5	Very high	96.6	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-40.5	176.3	177	49.7	160.4	-99.8	-1.8	111.3	F672 A699 S701 N703 T706 L712 M713 F719 D721	F672-R709 WeakPolarHBondContact O-CD 3.3Å; F672-R709 PolarHBondContact O-NH1 3.27Å; A699-R709 VanDerWaalsContact CB-NH2 3.29Å; S701-R709 PolarHBondContact O-NH1 2.93Å; S701-R709 VanDerWaalsContact O-NH1 3.17Å; S701-R709 PolarHBondContact O-NH2 3.32Å; N703-R709 HydrophobicContact CB-CG 4.21Å; N703-R709 WeakPolarHBondContact OD1-CG 3.25Å; T706-R709 PolarHBondContact O-N 3.32Å; T706-R709 PolarHBondContact OG1-N 3.49Å; R709-L712 PolarHBondContact O-N 3.11Å; R709-M713 HydrophobicContact CG-SD 3.95Å; R709-M713 WeakPolarHBondContact O-CB 3.48Å; R709-M713 VanDerWaalsContact O-CG 3.3Å; R709-M713 WeakPolarHBondContact O-CG 3.35Å; R709-M713 PolarHBondContact O-N 3.26Å; R709-F719 VanDerWaalsContact NE-CZ 3.26Å; R709-D721 IonicContact NH2-OD1 3.9Å; R709-D721 IonicContact NH2-OD2 3.87Å; R709-D721 PolarHBondContact NH2-OD2 3.49Å
710	S	97.6	Very high	96.6	Very high	44 Å²	44	45.7 Å²	45.7	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-41.8	178.6	-55.5	0	0	0	0	112.8	T706 N707 F708 M713 N714	T706-S710 PolarHBondContact O-N 3.01Å; T706-S710 PolarHBondContact O-OG 3.36Å; N707-S710 PolarHBondContact O-N 2.83Å; F708-S710 VanDerWaalsContact C-N 3.34Å; S710-M713 PolarHBondContact O-N 3.1Å; S710-N714 WeakPolarHBondContact O-CB 3.39Å; S710-N714 PolarHBondContact O-N 3.39Å; S710-N714 PolarHBondContact O-ND2 3.46Å
711	K	97.4	Very high	96.7	Very high	45 Å²	45	47.1 Å²	47.1	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-51.1	175.1	179.5	178.5	160.8	70.5	0	110.9	Q682 S683 N707 F708 M713 N714 E715	Q682-K711 HydrophobicContact CB-CD 4.26Å; Q682-K711 HydrophobicContact CG-CD 4.04Å; Q682-K711 WeakPolarHBondContact O-CE 3.48Å; S683-K711 WeakPolarHBondContact OG-CE 3.39Å; S683-K711 PolarHBondContact OG-NZ 3.15Å; N707-K711 WeakPolarHBondContact O-CB 3.49Å; N707-K711 PolarHBondContact O-N 3.44Å; F708-K711 PolarHBondContact O-N 3.4Å; K711-M713 VanDerWaalsContact C-N 3.3Å; K711-M713 PolarHBondContact O-N 3.38Å; K711-N714 PolarHBondContact O-N 2.92Å; K711-N714 VanDerWaalsContact O-N 3.08Å; K711-E715 WeakPolarHBondContact CE-OE2 3.34Å; K711-E715 HydrophobicContact CG-CG 4.23Å; K711-E715 WeakPolarHBondContact CG-OE1 3.43Å; K711-E715 IonicContact NZ-OE1 2.74Å; K711-E715 PolarHBondContact NZ-OE1 3.07Å; K711-E715 IonicContact NZ-OE2 2.79Å; K711-E715 PolarHBondContact NZ-OE2 3.39Å; K711-E715 WeakPolarHBondContact O-CB 3.44Å; K711-E715 PolarHBondContact O-N 3.34Å
712	L	97.2	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-40.7	176.9	-74.9	164.9	0	0	0	112.6	F672 M681 Q682 P685 F708 R709 S716 F719	F672-L712 HydrophobicContact CB-CD1 3.74Å; F672-L712 HydrophobicContact CD1-CD1 3.58Å; F672-L712 HydrophobicContact CE1-CD1 4.46Å; F672-L712 HydrophobicContact CG-CD1 3.89Å; M681-L712 HydrophobicContact SD-CD2 4.24Å; Q682-L712 HydrophobicContact CB-CG 4.39Å; P685-L712 HydrophobicContact CG-CD2 3.81Å; F708-L712 PolarHBondContact O-N 3.44Å; R709-L712 PolarHBondContact O-N 3.11Å; L712-S716 WeakPolarHBondContact O-CB 3.48Å; L712-S716 PolarHBondContact O-N 3.01Å; L712-S716 PolarHBondContact O-OG 3.14Å; L712-F719 HydrophobicContact CB-CE2 4.01Å
713	M	97.5	Very high	96.8	Very high	78 Å²	78	42.5 Å²	42.5	38%	0.384	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-33.3	175.6	-75.5	174.1	59.4	0	0	113.8	R709 S710 K711 F719	R709-M713 HydrophobicContact CG-SD 3.95Å; R709-M713 WeakPolarHBondContact O-CB 3.48Å; R709-M713 VanDerWaalsContact O-CG 3.3Å; R709-M713 WeakPolarHBondContact O-CG 3.35Å; R709-M713 PolarHBondContact O-N 3.26Å; S710-M713 PolarHBondContact O-N 3.1Å; K711-M713 VanDerWaalsContact C-N 3.3Å; K711-M713 PolarHBondContact O-N 3.38Å; M713-F719 HydrophobicContact CB-CD2 4.32Å; M713-F719 HydrophobicContact CB-CG 4.28Å; M713-F719 HydrophobicContact CG-CB 4.36Å; M713-F719 HydrophobicContact CG-CD1 3.62Å; M713-F719 HydrophobicContact CG-CD2 3.76Å; M713-F719 HydrophobicContact CG-CE1 3.74Å; M713-F719 HydrophobicContact CG-CE2 3.88Å; M713-F719 HydrophobicContact CG-CG 3.63Å; M713-F719 HydrophobicContact CG-CZ 3.86Å; M713-F719 HydrophobicContact SD-CE1 4.4Å
714	N	97.2	Very high	96.6	Very high	132 Å²	132	45.7 Å²	45.7	71%	0.706	25%	0.25	S	C	*	.	H	α-helix	trans	-89.1	-28.6	-177.1	-67.9	-20.8	0	0	0	113.6	S710 K711	S710-N714 WeakPolarHBondContact O-CB 3.39Å; S710-N714 PolarHBondContact O-N 3.39Å; S710-N714 PolarHBondContact O-ND2 3.46Å; K711-N714 PolarHBondContact O-N 2.92Å; K711-N714 VanDerWaalsContact O-N 3.08Å
715	E	96.5	Very high	96.4	Very high	61 Å²	61	44.7 Å²	44.7	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-100.4	-24.3	-173.1	-70.5	-174.8	-166.7	0	0	114.2	R690 K711	R690-E715 PolarHBondContact NH2-O 2.95Å; K711-E715 WeakPolarHBondContact CE-OE2 3.34Å; K711-E715 HydrophobicContact CG-CG 4.23Å; K711-E715 WeakPolarHBondContact CG-OE1 3.43Å; K711-E715 IonicContact NZ-OE1 2.74Å; K711-E715 PolarHBondContact NZ-OE1 3.07Å; K711-E715 IonicContact NZ-OE2 2.79Å; K711-E715 PolarHBondContact NZ-OE2 3.39Å; K711-E715 WeakPolarHBondContact O-CB 3.44Å; K711-E715 PolarHBondContact O-N 3.34Å
716	S	94.9	Very high	95.6	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.063	25%	0.247	C	C	.	.	S	Bend	trans	-68.8	149.1	164.9	60.5	0	0	0	0	110.4	L712 H718	L712-S716 WeakPolarHBondContact O-CB 3.48Å; L712-S716 PolarHBondContact O-N 3.01Å; L712-S716 PolarHBondContact O-OG 3.14Å; S716-H718 VanDerWaalsContact C-N 3.34Å
717	E	97.4	Very high	94.9	Very high	53 Å²	53	48.8 Å²	48.8	25%	0.248	26%	0.26	C	S	.	.	S	Bend	trans	-72.6	-32.9	176.2	-68.8	178	-86.5	0	0	111.5	R662 R690 E694 V695	R662-E717 IonicContact CZ-OE1 2.72Å; R662-E717 IonicContact CZ-OE2 3.4Å; R662-E717 VanDerWaalsContact CZ-OE2 3.24Å; R662-E717 IonicContact NH1-OE1 3.88Å; R662-E717 PolarHBondContact NH1-OE1 3.34Å; R662-E717 IonicContact NH1-OE2 2.78Å; R662-E717 PolarHBondContact NH1-OE2 3.49Å; R662-E717 IonicContact NH2-OE1 2.7Å; R662-E717 IonicContact NH2-OE2 3.97Å; R662-E717 PolarHBondContact NH2-OE2 3.05Å; R690-E717 HydrophobicContact CG-CG 4.49Å; E694-E717 VanDerWaalsContact CA-OE1 3.31Å; E694-E717 WeakPolarHBondContact CA-OE1 3.36Å; V695-E717 PolarHBondContact N-OE1 3.49Å; V695-E717 VanDerWaalsContact N-OE1 3.09Å; V695-E717 PolarHBondContact O-N 2.62Å
718	H	98.4	Very high	94.4	Very high	70 Å²	70	48.1 Å²	48.1	32%	0.324	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.2	177.5	-55.6	-85.2	0	0	0	110.5	E694 V695 F696 C697 S716	E694-H718 IonicContact OE1-CD2 3.96Å; E694-H718 IonicContact OE1-CE1 3.95Å; E694-H718 IonicContact OE1-NE2 3.36Å; E694-H718 PolarHBondContact OE1-NE2 3.33Å; V695-H718 PolarHBondContact O-N 3.08Å; V695-H718 VanDerWaalsContact O-N 3.11Å; F696-H718 CarbonylContact C-O 3.6Å; F696-H718 WeakPolarHBondContact CA-O 3.25Å; F696-H718 HydrophobicContact CB-CB 4.45Å; F696-H718 HydrophobicContact CD1-CB 3.33Å; F696-H718 AromaticContact CD1-CD2 3.93Å; F696-H718 AromaticContact CD1-CG 3.74Å; F696-H718 HydrophobicContact CE1-CB 3.6Å; F696-H718 AromaticContact CE1-CD2 3.54Å; F696-H718 AromaticContact CE1-CG 3.45Å; F696-H718 VanDerWaalsContact CE1-CG 3.45Å; F696-H718 AromaticContact CE2-CD2 3.67Å; F696-H718 HydrophobicContact CG-CB 3.88Å; F696-H718 HydrophobicContact CZ-CB 4.35Å; F696-H718 AromaticContact CZ-CD2 3.39Å; F696-H718 WeakPolarHBondContact CZ-CD2 3.42Å; F696-H718 AromaticContact CZ-CG 3.82Å; F696-H718 AromaticContact CZ-NE2 3.73Å; C697-H718 PolarHBondContact N-O 3.42Å; S716-H718 VanDerWaalsContact C-N 3.34Å
719	F	98.3	Very high	93.8	Very high	48 Å²	48	48.4 Å²	48.4	21%	0.211	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.5	174	-161.4	-80.2	0	0	0	111.1	F672 C697 A699 R709 L712 M713	F672-F719 HydrophobicContact CB-CZ 4.37Å; F672-F719 HydrophobicContact CD2-CE2 4.16Å; F672-F719 HydrophobicContact CD2-CZ 4.13Å; C697-F719 HydrophobicContact CB-CD2 3.56Å; C697-F719 HydrophobicContact CB-CE2 3.8Å; C697-F719 HydrophobicContact CB-CG 4.42Å; A699-F719 HydrophobicContact CB-CE1 3.75Å; A699-F719 HydrophobicContact CB-CZ 3.72Å; R709-F719 VanDerWaalsContact NE-CZ 3.26Å; L712-F719 HydrophobicContact CB-CE2 4.01Å; M713-F719 HydrophobicContact CB-CD2 4.32Å; M713-F719 HydrophobicContact CB-CG 4.28Å; M713-F719 HydrophobicContact CG-CB 4.36Å; M713-F719 HydrophobicContact CG-CD1 3.62Å; M713-F719 HydrophobicContact CG-CD2 3.76Å; M713-F719 HydrophobicContact CG-CE1 3.74Å; M713-F719 HydrophobicContact CG-CE2 3.88Å; M713-F719 HydrophobicContact CG-CG 3.63Å; M713-F719 HydrophobicContact CG-CZ 3.86Å; M713-F719 HydrophobicContact SD-CE1 4.4Å
720	V	98.3	Very high	93.4	Very high	23 Å²	23	54.8 Å²	54.8	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.2	-175.5	-178	0	0	0	0	110	C697 Y698 A699 L722 K734	C697-V720 PolarHBondContact O-N 3.48Å; Y698-V720 WeakPolarHBondContact CA-O 3.47Å; Y698-V720 HydrophobicContact CD1-CB 3.64Å; Y698-V720 HydrophobicContact CD1-CG1 3.95Å; Y698-V720 HydrophobicContact CD1-CG2 4.21Å; Y698-V720 HydrophobicContact CE1-CB 3.79Å; Y698-V720 HydrophobicContact CE1-CG1 4.05Å; Y698-V720 HydrophobicContact CE1-CG2 3.85Å; A699-V720 PolarHBondContact N-O 3.3Å; V720-L722 HydrophobicContact CG1-CD2 3.79Å; V720-L722 HydrophobicContact CG1-CG 4.36Å; V720-L722 PolarHBondContact O-N 3.35Å; V720-K734 HydrophobicContact CG1-CG 4.3Å
721	D	97.7	Very high	93.1	Very high	47 Å²	47	52.7 Å²	52.7	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	93.9	177.7	-161.8	-29.9	0	0	0	111.4	R709 S723 Q724	R709-D721 IonicContact NH2-OD1 3.9Å; R709-D721 IonicContact NH2-OD2 3.87Å; R709-D721 PolarHBondContact NH2-OD2 3.49Å; D721-S723 PolarHBondContact O-N 3.39Å; D721-S723 WeakPolarHBondContact OD1-CB 3.32Å; D721-S723 PolarHBondContact OD1-N 3.49Å; D721-S723 PolarHBondContact OD1-OG 2.97Å; D721-Q724 HydrophobicContact CB-CG 4.49Å; D721-Q724 PolarHBondContact O-N 2.96Å
722	L	96.9	Very high	93	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-76.3	-6.8	177	-59.6	-178.5	0	0	0	113.2	Y698 A699 L700 V720 Q724 I725 A731 I735 R754 I757	Y698-L722 HydrophobicContact CD1-CD1 3.84Å; Y698-L722 HydrophobicContact CD1-CD2 4.23Å; Y698-L722 HydrophobicContact CD1-CG 4.03Å; Y698-L722 HydrophobicContact CG-CD1 4.15Å; A699-L722 WeakPolarHBondContact O-CA 3.49Å; A699-L722 WeakPolarHBondContact O-CB 3.41Å; A699-L722 PolarHBondContact O-N 2.99Å; L700-L722 HydrophobicContact CD2-CB 4.19Å; L700-L722 HydrophobicContact CD2-CD1 4.04Å; V720-L722 HydrophobicContact CG1-CD2 3.79Å; V720-L722 HydrophobicContact CG1-CG 4.36Å; V720-L722 PolarHBondContact O-N 3.35Å; L722-Q724 PolarHBondContact O-N 2.91Å; L722-I725 HydrophobicContact CD2-CD1 4.05Å; L722-I725 CarbonylContact O-C 3.43Å; L722-I725 PolarHBondContact O-N 2.86Å; L722-A731 HydrophobicContact CD1-CB 4.35Å; L722-A731 HydrophobicContact CD2-CB 4.22Å; L722-I735 HydrophobicContact CD1-CD1 4.01Å; L722-I735 HydrophobicContact CD1-CG1 4.46Å; L722-R754 PolarHBondContact O-NH1 3.23Å; L722-I757 HydrophobicContact CD1-CD1 4.27Å
723	S	92.6	Very high	92.8	Very high	29 Å²	29	53.3 Å²	53.3	20%	0.203	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-62.7	-30	170.8	76	0	0	0	0	111.4	A699 V702 D721 I725	A699-S723 PolarHBondContact O-N 3.22Å; V702-S723 WeakPolarHBondContact CG1-OG 3.44Å; D721-S723 PolarHBondContact O-N 3.39Å; D721-S723 WeakPolarHBondContact OD1-CB 3.32Å; D721-S723 PolarHBondContact OD1-N 3.49Å; D721-S723 PolarHBondContact OD1-OG 2.97Å; S723-I725 PolarHBondContact O-N 3.08Å
724	Q	92.9	Very high	92.7	Very high	138 Å²	138	52.6 Å²	52.6	65%	0.645	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-76.4	-7.3	174	-53.1	-54.1	-57.2	0	0	113.2	D721 L722 P726	D721-Q724 HydrophobicContact CB-CG 4.49Å; D721-Q724 PolarHBondContact O-N 2.96Å; L722-Q724 PolarHBondContact O-N 2.91Å; Q724-P726 VanDerWaalsContact C-CD 3.49Å; Q724-P726 WeakPolarHBondContact O-CD 3.39Å
725	I	90.4	Very high	92.7	Very high	47 Å²	47	46.3 Å²	46.3	24%	0.241	24%	0.238	C	C	.	.			trans	-118.9	77.1	178.4	-49	-177.2	0	0	0	108.9	L722 S723 C727 K730 A731 R754	L722-I725 HydrophobicContact CD2-CD1 4.05Å; L722-I725 CarbonylContact O-C 3.43Å; L722-I725 PolarHBondContact O-N 2.86Å; S723-I725 PolarHBondContact O-N 3.08Å; I725-C727 VanDerWaalsContact C-N 3.28Å; I725-C727 PolarHBondContact O-N 3.41Å; I725-K730 HydrophobicContact CG2-CB 3.62Å; I725-A731 HydrophobicContact CG2-CB 4.18Å; I725-R754 PolarHBondContact O-NH1 3.39Å; I725-R754 VanDerWaalsContact O-NH1 3.16Å; I725-R754 PolarHBondContact O-NH2 3.26Å
726	P	78.2	Confident	92.7	Very high	107 Å²	107	44.2 Å²	44.2	70%	0.695	23%	0.231	S	C	*	.			trans	-67.1	-26	-174.7	25.4	-34.9	0	0	0	113.4	Q724 N728 R754	Q724-P726 VanDerWaalsContact C-CD 3.49Å; Q724-P726 WeakPolarHBondContact O-CD 3.39Å; P726-N728 PolarHBondContact O-N 3.25Å; P726-R754 PolarHBondContact O-NH2 2.87Å
727	C	82.6	Confident	92.8	Very high	53 Å²	53	50.7 Å²	50.7	36%	0.358	26%	0.26	S	S	.	.			trans	-71.9	114.1	175.2	179.8	0	0	0	0	110.9	I725 G729 K730 A731	I725-C727 VanDerWaalsContact C-N 3.28Å; I725-C727 PolarHBondContact O-N 3.41Å; C727-G729 VanDerWaalsContact C-N 3.32Å; C727-G729 PolarHBondContact O-N 3.01Å; C727-K730 HydrophobicContact CB-CB 4.15Å; C727-K730 HydrophobicContact CB-CD 4.27Å; C727-K730 HydrophobicContact CB-CG 4.12Å; C727-K730 PolarHBondContact O-N 3.11Å; C727-K730 VanDerWaalsContact O-N 3.14Å; C727-A731 PolarHBondContact O-N 3.32Å
728	N	86	Confident	92.8	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.139	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-40.5	179.3	-64.9	-30.5	0	0	0	112.7	P726 K730 A731 A732 R754 E756 I757 L760	P726-N728 PolarHBondContact O-N 3.25Å; N728-K730 PolarHBondContact O-N 3.34Å; N728-A731 PolarHBondContact O-N 2.83Å; N728-A732 PolarHBondContact O-N 3.49Å; N728-R754 VanDerWaalsContact OD1-CZ 3.3Å; N728-R754 PolarHBondContact OD1-NE 3.12Å; N728-R754 PolarHBondContact OD1-NH2 3.02Å; N728-E756 HydrophobicContact CB-CB 3.99Å; N728-E756 WeakPolarHBondContact ND2-CB 3.4Å; N728-I757 HydrophobicContact CB-CG1 4.38Å; N728-L760 HydrophobicContact CB-CD1 4.49Å
729	G	84.6	Confident	92.7	Very high	6 Å²	6	46.4 Å²	46.4	6%	0.062	24%	0.244	C	C	.	.	H	α-helix	trans	-53.5	-50.7	171.8	0	0	0	0	0	113.4	C727 A731 A732 E733	C727-G729 VanDerWaalsContact C-N 3.32Å; C727-G729 PolarHBondContact O-N 3.01Å; G729-A731 PolarHBondContact O-N 3.34Å; G729-A732 PolarHBondContact O-N 2.98Å; G729-E733 WeakPolarHBondContact O-CB 3.42Å; G729-E733 VanDerWaalsContact O-CG 3.27Å; G729-E733 WeakPolarHBondContact O-CG 3.45Å; G729-E733 PolarHBondContact O-N 3.47Å
730	K	88.5	Confident	92.7	Very high	134 Å²	134	44.2 Å²	44.2	58%	0.583	23%	0.234	S	C	*	.	H	α-helix	trans	-66.8	-34.7	178.7	-68.5	-172.7	178.5	-174.1	0	112.9	I725 C727 N728 E733 K734	I725-K730 HydrophobicContact CG2-CB 3.62Å; C727-K730 HydrophobicContact CB-CB 4.15Å; C727-K730 HydrophobicContact CB-CD 4.27Å; C727-K730 HydrophobicContact CB-CG 4.12Å; C727-K730 PolarHBondContact O-N 3.11Å; C727-K730 VanDerWaalsContact O-N 3.14Å; N728-K730 PolarHBondContact O-N 3.34Å; K730-E733 PolarHBondContact O-N 2.97Å; K730-K734 PolarHBondContact O-N 3.1Å
731	A	92.1	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.2	0	0	0	0	0	111.5	L722 I725 C727 N728 G729 K734 I735 I757	L722-A731 HydrophobicContact CD1-CB 4.35Å; L722-A731 HydrophobicContact CD2-CB 4.22Å; I725-A731 HydrophobicContact CG2-CB 4.18Å; C727-A731 PolarHBondContact O-N 3.32Å; N728-A731 PolarHBondContact O-N 2.83Å; G729-A731 PolarHBondContact O-N 3.34Å; A731-K734 PolarHBondContact O-N 3.24Å; A731-I735 WeakPolarHBondContact O-CG1 3.35Å; A731-I735 PolarHBondContact O-N 3.38Å; A731-I735 VanDerWaalsContact O-N 3.12Å; A731-I757 HydrophobicContact CB-CD1 3.8Å; A731-I757 HydrophobicContact CB-CG1 4.19Å
732	A	94.1	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-41.6	173.3	0	0	0	0	0	112.3	L649 N728 G729 K734 I735 A736 I757 L760 P762	L649-A732 HydrophobicContact CD1-CB 3.79Å; N728-A732 PolarHBondContact O-N 3.49Å; G729-A732 PolarHBondContact O-N 2.98Å; A732-K734 VanDerWaalsContact C-N 3.29Å; A732-K734 PolarHBondContact O-N 3.36Å; A732-I735 PolarHBondContact O-N 3.12Å; A732-A736 PolarHBondContact O-N 2.96Å; A732-I757 HydrophobicContact CB-CG2 4.26Å; A732-L760 HydrophobicContact CB-CB 3.81Å; A732-L760 HydrophobicContact CB-CD1 3.57Å; A732-L760 HydrophobicContact CB-CG 4.33Å; A732-P762 HydrophobicContact CB-CB 4.1Å; A732-P762 HydrophobicContact CB-CG 4.14Å; A732-P762 VanDerWaalsContact O-CB 3.26Å; A732-P762 WeakPolarHBondContact O-CB 3.13Å
733	E	93.1	Very high	92.9	Very high	59 Å²	59	40.9 Å²	40.9	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-57	-40.9	173.2	-74.5	162.6	-171.1	0	0	111.8	K646 L649 G729 K730 A736 Q737	K646-E733 IonicContact NZ-OE1 2.78Å; K646-E733 PolarHBondContact NZ-OE1 2.97Å; L649-E733 HydrophobicContact CD2-CG 3.82Å; G729-E733 WeakPolarHBondContact O-CB 3.42Å; G729-E733 VanDerWaalsContact O-CG 3.27Å; G729-E733 WeakPolarHBondContact O-CG 3.45Å; G729-E733 PolarHBondContact O-N 3.47Å; K730-E733 PolarHBondContact O-N 2.97Å; E733-A736 PolarHBondContact O-N 3.46Å; E733-Q737 WeakPolarHBondContact O-CB 3.47Å; E733-Q737 WeakPolarHBondContact O-CG 3.43Å; E733-Q737 PolarHBondContact O-N 3.38Å
734	K	96.3	Very high	93.2	Very high	63 Å²	63	39.5 Å²	39.5	27%	0.274	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-47.4	174.6	172.7	55.2	-176.7	160.6	0	112.3	V720 K730 A731 A732 A736 Q737 D738	V720-K734 HydrophobicContact CG1-CG 4.3Å; K730-K734 PolarHBondContact O-N 3.1Å; A731-K734 PolarHBondContact O-N 3.24Å; A732-K734 VanDerWaalsContact C-N 3.29Å; A732-K734 PolarHBondContact O-N 3.36Å; K734-A736 VanDerWaalsContact C-N 3.3Å; K734-A736 PolarHBondContact O-N 3.47Å; K734-Q737 WeakPolarHBondContact O-CB 3.29Å; K734-Q737 PolarHBondContact O-N 3.01Å; K734-D738 WeakPolarHBondContact CE-OD1 3.46Å; K734-D738 WeakPolarHBondContact CE-OD2 3.33Å; K734-D738 IonicContact NZ-OD1 3.9Å; K734-D738 PolarHBondContact NZ-OD1 2.96Å; K734-D738 IonicContact NZ-OD2 2.75Å; K734-D738 PolarHBondContact NZ-OD2 3.2Å; K734-D738 PolarHBondContact O-N 3.27Å
735	I	97.8	Very high	93.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-40.6	177	-67.9	161.9	0	0	0	111.3	Y698 L722 A731 A732 D738 I740 L743 I757 P762	Y698-I735 HydrophobicContact CD1-CG1 3.88Å; Y698-I735 HydrophobicContact CD2-CG1 4.41Å; Y698-I735 HydrophobicContact CE1-CG1 3.64Å; Y698-I735 HydrophobicContact CE2-CG1 4.18Å; Y698-I735 HydrophobicContact CG-CG1 4.27Å; L722-I735 HydrophobicContact CD1-CD1 4.01Å; L722-I735 HydrophobicContact CD1-CG1 4.46Å; A731-I735 WeakPolarHBondContact O-CG1 3.35Å; A731-I735 PolarHBondContact O-N 3.38Å; A731-I735 VanDerWaalsContact O-N 3.12Å; A732-I735 PolarHBondContact O-N 3.12Å; I735-D738 PolarHBondContact O-N 3.26Å; I735-I740 HydrophobicContact CG2-CB 4.25Å; I735-I740 HydrophobicContact CG2-CG1 3.94Å; I735-L743 HydrophobicContact CD1-CD1 4.49Å; I735-L743 HydrophobicContact CD1-CD2 4.42Å; I735-L743 HydrophobicContact CG2-CD1 3.68Å; I735-L743 HydrophobicContact CG2-CD2 4.08Å; I735-I757 HydrophobicContact CD1-CG2 3.5Å; I735-P762 HydrophobicContact CB-CB 3.99Å; I735-P762 HydrophobicContact CB-CG 4.18Å; I735-P762 HydrophobicContact CD1-CG 4.47Å; I735-P762 HydrophobicContact CG2-CB 3.86Å; I735-P762 HydrophobicContact CG2-CG 3.88Å
736	A	96.2	Very high	93.8	Very high	16 Å²	16	30.8 Å²	30.8	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-39.8	176.4	0	0	0	0	0	112.2	L649 A732 E733 K734 D738 G739 P762	L649-A736 HydrophobicContact CB-CB 4.13Å; L649-A736 HydrophobicContact CD1-CB 4.35Å; L649-A736 HydrophobicContact CD2-CB 4.45Å; A732-A736 PolarHBondContact O-N 2.96Å; E733-A736 PolarHBondContact O-N 3.46Å; K734-A736 VanDerWaalsContact C-N 3.3Å; K734-A736 PolarHBondContact O-N 3.47Å; A736-D738 VanDerWaalsContact C-N 3.29Å; A736-D738 PolarHBondContact O-N 2.95Å; A736-G739 PolarHBondContact O-N 3.07Å; A736-P762 HydrophobicContact CB-CB 4.16Å
737	Q	96.3	Very high	94.7	Very high	146 Å²	146	25.8 Å²	25.8	68%	0.682	13%	0.132	S	C	*	.	H	α-helix	trans	-63.6	-31.6	175.1	-73.5	163.2	19.7	0	0	113.2	E733 K734 G739	E733-Q737 WeakPolarHBondContact O-CB 3.47Å; E733-Q737 WeakPolarHBondContact O-CG 3.43Å; E733-Q737 PolarHBondContact O-N 3.38Å; K734-Q737 WeakPolarHBondContact O-CB 3.29Å; K734-Q737 PolarHBondContact O-N 3.01Å; Q737-G739 PolarHBondContact O-N 2.92Å
738	D	97.3	Very high	95.3	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.112	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.8	174	-66.5	-28.9	0	0	0	112.5	R664 F696 Y698 K734 I735 A736 I740	R664-D738 WeakPolarHBondContact CD-O 3.07Å; R664-D738 PolarHBondContact NH1-O 3.23Å; F696-D738 HydrophobicContact CD1-CB 4.19Å; F696-D738 HydrophobicContact CE1-CB 3.78Å; F696-D738 HydrophobicContact CZ-CB 4.32Å; Y698-D738 WeakPolarHBondContact CE1-OD2 3.28Å; Y698-D738 WeakPolarHBondContact OH-CB 3.13Å; Y698-D738 VanDerWaalsContact OH-CG 3.3Å; Y698-D738 PolarHBondContact OH-OD2 3.33Å; K734-D738 WeakPolarHBondContact CE-OD1 3.46Å; K734-D738 WeakPolarHBondContact CE-OD2 3.33Å; K734-D738 IonicContact NZ-OD1 3.9Å; K734-D738 PolarHBondContact NZ-OD1 2.96Å; K734-D738 IonicContact NZ-OD2 2.75Å; K734-D738 PolarHBondContact NZ-OD2 3.2Å; K734-D738 PolarHBondContact O-N 3.27Å; I735-D738 PolarHBondContact O-N 3.26Å; A736-D738 VanDerWaalsContact C-N 3.29Å; A736-D738 PolarHBondContact O-N 2.95Å; D738-I740 HydrophobicContact CB-CD1 4.26Å; D738-I740 HydrophobicContact CB-CG1 4.3Å
739	G	96.9	Very high	95.7	Very high	12 Å²	12	22.3 Å²	22.3	12%	0.124	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	37.9	175.5	0	0	0	0	0	113.3	R664 A736 Q737 H741	R664-G739 VanDerWaalsContact CD-O 3.26Å; R664-G739 WeakPolarHBondContact CD-O 3.36Å; A736-G739 PolarHBondContact O-N 3.07Å; Q737-G739 PolarHBondContact O-N 2.92Å; G739-H741 PolarHBondContact O-N 3.36Å
740	I	98.4	Very high	95.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.112	C	C	.	.			trans	-64.7	127.4	179.2	-57.6	-54.7	0	0	0	110.8	R664 F696 Y698 I735 D738 I742 L743 A763 P764	R664-I740 HydrophobicContact CB-CD1 4.29Å; F696-I740 HydrophobicContact CB-CD1 3.85Å; F696-I740 HydrophobicContact CD1-CD1 4.05Å; F696-I740 HydrophobicContact CD2-CD1 3.37Å; F696-I740 HydrophobicContact CE1-CD1 4.46Å; F696-I740 HydrophobicContact CE2-CD1 3.84Å; F696-I740 HydrophobicContact CG-CD1 3.5Å; F696-I740 HydrophobicContact CZ-CD1 4.37Å; Y698-I740 HydrophobicContact CE2-CD1 4.11Å; Y698-I740 HydrophobicContact CE2-CG1 4.01Å; Y698-I740 WeakPolarHBondContact OH-CG1 3.45Å; I735-I740 HydrophobicContact CG2-CB 4.25Å; I735-I740 HydrophobicContact CG2-CG1 3.94Å; D738-I740 HydrophobicContact CB-CD1 4.26Å; D738-I740 HydrophobicContact CB-CG1 4.3Å; I740-I742 VanDerWaalsContact CG2-O 3.23Å; I740-I742 WeakPolarHBondContact CG2-O 3.47Å; I740-L743 HydrophobicContact CG2-CB 4.16Å; I740-L743 HydrophobicContact CG2-CD1 4.05Å; I740-A763 HydrophobicContact CB-CB 4.4Å; I740-A763 HydrophobicContact CG2-CB 4.22Å; I740-A763 WeakPolarHBondContact O-CB 3.48Å; I740-P764 WeakPolarHBondContact O-CD 3.3Å
741	H	98.5	Very high	95.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.107	C	C	.	.	S	Bend	trans	-84	-42.9	176.1	-56.1	104.8	0	0	0	111.2	A652 S656 L663 R664 G739 P764 I765 W1129	A652-H741 VanDerWaalsContact CB-CD2 3.42Å; A652-H741 WeakPolarHBondContact CB-CD2 3.45Å; S656-H741 PolarHBondContact OG-CD2 3.16Å; S656-H741 PolarHBondContact OG-NE2 3.44Å; L663-H741 HydrophobicContact CD1-CB 3.66Å; R664-H741 VanDerWaalsContact CB-ND1 3.34Å; R664-H741 WeakPolarHBondContact CB-ND1 3.45Å; R664-H741 PolarHBondContact N-ND1 3.43Å; R664-H741 WeakPolarHBondContact O-CB 3.38Å; R664-H741 PolarHBondContact O-N 3.31Å; R664-H741 VanDerWaalsContact O-N 3.08Å; G739-H741 PolarHBondContact O-N 3.36Å; H741-P764 WeakPolarHBondContact O-CD 3.17Å; H741-P764 WeakPolarHBondContact O-CG 3.25Å; H741-I765 PolarHBondContact O-N 3.1Å; H741-W1129 HydrophobicContact CB-CD2 4.43Å; H741-W1129 HydrophobicContact CB-CE3 3.72Å; H741-W1129 HydrophobicContact CB-CH2 4.3Å; H741-W1129 HydrophobicContact CB-CZ3 3.66Å; H741-W1129 AromaticContact CD2-CH2 3.41Å; H741-W1129 VanDerWaalsContact CD2-CH2 3.41Å; H741-W1129 WeakPolarHBondContact CD2-CH2 3.22Å; H741-W1129 AromaticContact CD2-CZ2 3.83Å; H741-W1129 AromaticContact CD2-CZ3 3.7Å
742	I	98.6	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.9	179.2	-50.3	-178.6	0	0	0	110	L663 R664 I665 G666 I740 I744 I765 V767 L1125 M1128 W1129	L663-I742 HydrophobicContact CD1-CD1 4.35Å; L663-I742 HydrophobicContact CD1-CG1 4.43Å; L663-I742 HydrophobicContact CD2-CD1 4.12Å; R664-I742 PolarHBondContact O-N 3.21Å; I665-I742 WeakPolarHBondContact CA-O 3.32Å; G666-I742 PolarHBondContact N-O 3.17Å; I740-I742 VanDerWaalsContact CG2-O 3.23Å; I740-I742 WeakPolarHBondContact CG2-O 3.47Å; I742-I744 HydrophobicContact CG2-CG1 4.34Å; I742-I765 WeakPolarHBondContact CA-O 3.34Å; I742-I765 HydrophobicContact CD1-CD1 4.32Å; I742-I765 HydrophobicContact CG1-CB 4.2Å; I742-I765 HydrophobicContact CG1-CD1 4.06Å; I742-I765 HydrophobicContact CG2-CB 4.38Å; I742-I765 HydrophobicContact CG2-CG2 4.09Å; I742-V767 HydrophobicContact CG2-CB 4.48Å; I742-V767 HydrophobicContact CG2-CG2 3.44Å; I742-V767 VanDerWaalsContact CG2-CG2 3.44Å; I742-L1125 HydrophobicContact CD1-CB 3.95Å; I742-L1125 HydrophobicContact CD1-CD2 3.9Å; I742-L1125 WeakPolarHBondContact CD1-O 3.33Å; I742-L1125 HydrophobicContact CG2-CD2 3.94Å; I742-M1128 HydrophobicContact CD1-CB 4.18Å; I742-W1129 HydrophobicContact CD1-CB 4.44Å
743	L	98.8	Very high	95	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.9	179.3	-166.8	74	0	0	0	110.8	V668 Y698 I735 I740 F758 P762 A763 I765 Q766 V767	V668-L743 HydrophobicContact CG2-CD1 3.49Å; V668-L743 VanDerWaalsContact CG2-CD1 3.49Å; V668-L743 HydrophobicContact CG2-CD2 4.25Å; V668-L743 HydrophobicContact CG2-CG 3.78Å; Y698-L743 HydrophobicContact CD2-CD1 4.3Å; Y698-L743 HydrophobicContact CE2-CD1 4.29Å; I735-L743 HydrophobicContact CD1-CD1 4.49Å; I735-L743 HydrophobicContact CD1-CD2 4.42Å; I735-L743 HydrophobicContact CG2-CD1 3.68Å; I735-L743 HydrophobicContact CG2-CD2 4.08Å; I740-L743 HydrophobicContact CG2-CB 4.16Å; I740-L743 HydrophobicContact CG2-CD1 4.05Å; L743-F758 HydrophobicContact CB-CE1 4.23Å; L743-F758 HydrophobicContact CD2-CD1 3.92Å; L743-F758 HydrophobicContact CD2-CE1 3.52Å; L743-F758 HydrophobicContact CD2-CZ 3.95Å; L743-F758 HydrophobicContact CG-CD1 4.46Å; L743-F758 HydrophobicContact CG-CE1 3.64Å; L743-F758 HydrophobicContact CG-CZ 4.01Å; L743-P762 HydrophobicContact CD2-CG 3.9Å; L743-A763 HydrophobicContact CB-CB 3.62Å; L743-I765 PolarHBondContact N-O 2.98Å; L743-Q766 HydrophobicContact CB-CG 4.47Å; L743-Q766 CarbonylContact O-C 3.43Å; L743-Q766 VanDerWaalsContact O-CA 3.31Å; L743-Q766 WeakPolarHBondContact O-CA 3.17Å; L743-V767 PolarHBondContact O-N 3.18Å
744	I	98.8	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.9	-170.6	-57.4	179.5	0	0	0	109.7	I665 G666 Y667 V668 I742 M746 V767 W769 M1121 L1125	I665-I744 HydrophobicContact CG2-CD1 3.55Å; I665-I744 HydrophobicContact CG2-CG1 4.28Å; G666-I744 PolarHBondContact O-N 3.45Å; Y667-I744 HydrophobicContact CD1-CB 4.04Å; Y667-I744 HydrophobicContact CD1-CD1 4.02Å; Y667-I744 HydrophobicContact CD1-CG2 4.1Å; Y667-I744 HydrophobicContact CE1-CB 4.37Å; Y667-I744 HydrophobicContact CE1-CD1 3.51Å; Y667-I744 HydrophobicContact CE1-CG1 4.49Å; Y667-I744 HydrophobicContact CE1-CG2 4.3Å; V668-I744 PolarHBondContact N-O 3.28Å; I742-I744 HydrophobicContact CG2-CG1 4.34Å; I744-M746 HydrophobicContact CG2-CG 4.2Å; I744-V767 CarbonylContact C-O 3.52Å; I744-V767 WeakPolarHBondContact CA-O 3.45Å; I744-V767 HydrophobicContact CG1-CB 4.33Å; I744-W769 HydrophobicContact CG2-CB 3.6Å; I744-W769 HydrophobicContact CG2-CD2 4.37Å; I744-W769 HydrophobicContact CG2-CE3 3.86Å; I744-W769 HydrophobicContact CG2-CG 4.34Å; I744-M1121 HydrophobicContact CD1-CE 3.82Å; I744-L1125 HydrophobicContact CD1-CD1 4.29Å; I744-L1125 HydrophobicContact CD1-CD2 4.26Å
745	N	98.7	Very high	94.9	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	113.4	175	-170.6	-32.5	0	0	0	109.9	N747 G748 N755 F758 V767 M768 W769 M781	N745-N747 PolarHBondContact OD1-N 3.16Å; N745-G748 PolarHBondContact OD1-N 2.92Å; N745-N755 PolarHBondContact ND2-OD1 3.04Å; N745-F758 VanDerWaalsContact CA-CZ 3.47Å; N745-F758 HydrophobicContact CB-CD1 4.23Å; N745-F758 HydrophobicContact CB-CD2 4.4Å; N745-F758 HydrophobicContact CB-CE1 3.65Å; N745-F758 HydrophobicContact CB-CE2 3.84Å; N745-F758 HydrophobicContact CB-CZ 3.44Å; N745-F758 VanDerWaalsContact CB-CZ 3.44Å; N745-F758 WeakPolarHBondContact ND2-CD2 3.39Å; N745-V767 PolarHBondContact N-O 3.45Å; N745-M768 HydrophobicContact CB-SD 3.82Å; N745-W769 PolarHBondContact O-N 3.41Å; N745-W769 VanDerWaalsContact O-N 3.09Å; N745-M781 HydrophobicContact CB-CE 3.71Å
746	M	98.5	Very high	94.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-104.8	16.3	179.1	-58.1	176	68.2	0	0	113.4	Y667 V668 F672 T677 M681 I744 W769 G771	Y667-M746 HydrophobicContact CD1-SD 3.75Å; Y667-M746 HydrophobicContact CG-SD 4.26Å; V668-M746 WeakPolarHBondContact O-CB 3.13Å; V668-M746 PolarHBondContact O-N 3.41Å; V668-M746 VanDerWaalsContact O-N 3.09Å; F672-M746 HydrophobicContact CE1-CE 4.41Å; F672-M746 HydrophobicContact CE1-SD 4.07Å; F672-M746 HydrophobicContact CZ-SD 4.16Å; T677-M746 HydrophobicContact CG2-CE 3.61Å; M681-M746 HydrophobicContact CE-CE 3.66Å; M681-M746 HydrophobicContact CE-SD 4.12Å; M681-M746 HydrophobicContact CG-CE 3.53Å; M681-M746 HydrophobicContact SD-CE 3.71Å; I744-M746 HydrophobicContact CG2-CG 4.2Å; M746-W769 HydrophobicContact CE-CE3 4.04Å; M746-W769 HydrophobicContact CE-CZ3 3.7Å; M746-W769 HydrophobicContact CG-CE3 4.02Å; M746-W769 HydrophobicContact CG-CZ3 4.5Å; M746-W769 HydrophobicContact SD-CE3 4.16Å; M746-W769 HydrophobicContact SD-CZ3 4.04Å; M746-G771 WeakPolarHBondContact O-CA 3.33Å
747	N	97.5	Very high	94.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	12%	0.117	C	C	.	.			trans	-121.9	-40	-178.6	-73.1	130.2	0	0	0	114	S669 S670 D671 N745 Y749 T750 A753	S669-N747 WeakPolarHBondContact CA-OD1 3.47Å; S670-N747 PolarHBondContact N-OD1 2.7Å; S670-N747 PolarHBondContact OG-ND2 2.93Å; D671-N747 PolarHBondContact OD1-ND2 3.47Å; D671-N747 PolarHBondContact OD2-ND2 2.88Å; N745-N747 PolarHBondContact OD1-N 3.16Å; N747-Y749 PolarHBondContact O-N 3.39Å; N747-T750 WeakPolarHBondContact CA-OG1 3.27Å; N747-T750 WeakPolarHBondContact O-CB 3.22Å; N747-T750 VanDerWaalsContact O-CG2 3.31Å; N747-T750 WeakPolarHBondContact O-CG2 3.47Å; N747-T750 PolarHBondContact O-N 3.31Å; N747-T750 PolarHBondContact O-OG1 3.21Å; N747-A753 HydrophobicContact CB-CB 3.76Å
748	G	95.4	Very high	94.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	50.8	-127	-168	0	0	0	0	0	111.8	N745 T750 A753 N755	N745-G748 PolarHBondContact OD1-N 2.92Å; G748-T750 PolarHBondContact O-N 3.21Å; G748-A753 WeakPolarHBondContact O-CB 3.25Å; G748-N755 PolarHBondContact O-ND2 3.1Å; G748-N755 PolarHBondContact O-OD1 2.88Å
749	Y	94	Very high	94.4	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.02	8%	0.083	C	C	.	.	S	Bend	trans	-99.7	63.6	175.9	-57.4	-70.5	0	0	0	112	H610 P611 A628 H631 A632 N747 Y772 S776	H610-Y749 PolarHBondContact CE1-O 3.45Å; H610-Y749 VanDerWaalsContact CE1-O 3.28Å; P611-Y749 HydrophobicContact CB-CD2 3.49Å; P611-Y749 VanDerWaalsContact CB-CD2 3.49Å; P611-Y749 HydrophobicContact CB-CE2 4.21Å; P611-Y749 HydrophobicContact CB-CG 3.92Å; P611-Y749 HydrophobicContact CG-CD1 4.42Å; P611-Y749 HydrophobicContact CG-CD2 3.7Å; P611-Y749 HydrophobicContact CG-CE2 4.19Å; P611-Y749 HydrophobicContact CG-CG 3.83Å; A628-Y749 HydrophobicContact CB-CE2 4.03Å; A628-Y749 PolarHBondContact O-OH 2.88Å; A628-Y749 VanDerWaalsContact O-OH 3.11Å; H631-Y749 HydrophobicContact CB-CD1 4.06Å; H631-Y749 HydrophobicContact CB-CE1 3.58Å; A632-Y749 WeakPolarHBondContact CA-OH 3.41Å; A632-Y749 WeakPolarHBondContact CB-OH 3.34Å; A632-Y749 PolarHBondContact N-OH 3.36Å; A632-Y749 VanDerWaalsContact N-OH 3.11Å; N747-Y749 PolarHBondContact O-N 3.39Å; Y749-Y772 HydrophobicContact CD2-CE1 4.09Å; Y749-Y772 HydrophobicContact CD2-CE2 4.45Å; Y749-Y772 AromaticContact CD2-CZ 3.83Å; Y749-S776 WeakPolarHBondContact CE2-O 3.38Å; Y749-S776 PolarHBondContact OH-O 3.2Å
750	T	87.8	Confident	94.1	Very high	21 Å²	21	13.7 Å²	13.7	13%	0.129	8%	0.08	C	C	.	.	S	Bend	trans	-115.7	171	172.9	54.3	0	0	0	0	111.5	N747 G748 G752 A753 Y772	N747-T750 WeakPolarHBondContact CA-OG1 3.27Å; N747-T750 WeakPolarHBondContact O-CB 3.22Å; N747-T750 VanDerWaalsContact O-CG2 3.31Å; N747-T750 WeakPolarHBondContact O-CG2 3.47Å; N747-T750 PolarHBondContact O-N 3.31Å; N747-T750 PolarHBondContact O-OG1 3.21Å; G748-T750 PolarHBondContact O-N 3.21Å; T750-G752 PolarHBondContact O-N 3.46Å; T750-A753 VanDerWaalsContact O-CB 3.31Å; T750-A753 WeakPolarHBondContact O-CB 3.42Å; T750-A753 PolarHBondContact O-N 3.01Å; T750-Y772 HydrophobicContact CG2-CD2 4.2Å
751	K	78.7	Confident	94	Very high	108 Å²	108	16.8 Å²	16.8	47%	0.47	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	127	-179.4	176.5	170.4	174.1	153.5	0	110.2	Q8 S670	Q8-K751 HydrophobicContact CG-CG 4.43Å; S670-K751 PolarHBondContact OG-O 3.32Å
752	G	85.6	Confident	93.8	Very high	42 Å²	42	16.8 Å²	16.8	43%	0.433	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	-7.2	-178.6	0	0	0	0	0	114.7	T750	T750-G752 PolarHBondContact O-N 3.46Å
753	A	91.8	Very high	93.8	Very high	25 Å²	25	16.8 Å²	16.8	21%	0.207	9%	0.092	C	C	.	.			trans	-58.6	138.5	174.8	0	0	0	0	0	112.3	N747 G748 T750	N747-A753 HydrophobicContact CB-CB 3.76Å; G748-A753 WeakPolarHBondContact O-CB 3.25Å; T750-A753 VanDerWaalsContact O-CB 3.31Å; T750-A753 WeakPolarHBondContact O-CB 3.42Å; T750-A753 PolarHBondContact O-N 3.01Å
754	R	93.1	Very high	93.7	Very high	32 Å²	32	17.1 Å²	17.1	12%	0.121	9%	0.094	C	C	.	.			trans	-123.4	61.6	173	-68.4	173	60.8	-171.3	3.3	110	L700 L722 I725 P726 N728 E756 I757	L700-R754 HydrophobicContact CD1-CB 3.95Å; L700-R754 HydrophobicContact CD1-CG 4.2Å; L722-R754 PolarHBondContact O-NH1 3.23Å; I725-R754 PolarHBondContact O-NH1 3.39Å; I725-R754 VanDerWaalsContact O-NH1 3.16Å; I725-R754 PolarHBondContact O-NH2 3.26Å; P726-R754 PolarHBondContact O-NH2 2.87Å; N728-R754 VanDerWaalsContact OD1-CZ 3.3Å; N728-R754 PolarHBondContact OD1-NE 3.12Å; N728-R754 PolarHBondContact OD1-NH2 3.02Å; R754-E756 WeakPolarHBondContact CA-OE2 3.19Å; R754-E756 PolarHBondContact O-N 3.35Å; R754-E756 VanDerWaalsContact O-N 3.1Å; R754-I757 HydrophobicContact CB-CD1 3.85Å; R754-I757 HydrophobicContact CB-CG1 4.15Å; R754-I757 WeakPolarHBondContact O-CB 3.25Å; R754-I757 PolarHBondContact O-N 3.32Å
755	N	95.1	Very high	93.7	Very high	9 Å²	9	17.1 Å²	17.1	5%	0.048	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-17.8	-179.3	-65.4	-38	0	0	0	112.9	C635 N745 G748 I757 F758 A759 F780	C635-N755 HydrophobicContact CB-CB 4.43Å; N745-N755 PolarHBondContact ND2-OD1 3.04Å; G748-N755 PolarHBondContact O-ND2 3.1Å; G748-N755 PolarHBondContact O-OD1 2.88Å; N755-I757 PolarHBondContact O-N 2.93Å; N755-F758 PolarHBondContact O-N 3.33Å; N755-F758 VanDerWaalsContact O-N 3.07Å; N755-A759 PolarHBondContact O-N 3.48Å; N755-F780 HydrophobicContact CB-CZ 4.48Å
756	E	90.7	Very high	93.7	Very high	17 Å²	17	17 Å²	17	8%	0.079	9%	0.093	C	C	.	.	H	α-helix	trans	-51	-35	164.9	-68.1	85.3	174	0	0	113	C635 K638 V639 N728 R754 A759 L760	C635-E756 HydrophobicContact CB-CG 4.31Å; K638-E756 HydrophobicContact CB-CG 4.32Å; K638-E756 HydrophobicContact CD-CG 4.03Å; K638-E756 WeakPolarHBondContact CD-OE1 3.46Å; K638-E756 WeakPolarHBondContact CE-OE1 3.47Å; K638-E756 IonicContact NZ-OE1 3.79Å; K638-E756 PolarHBondContact NZ-OE1 3.47Å; V639-E756 HydrophobicContact CG1-CB 3.59Å; V639-E756 HydrophobicContact CG1-CG 4.01Å; N728-E756 HydrophobicContact CB-CB 3.99Å; N728-E756 WeakPolarHBondContact ND2-CB 3.4Å; R754-E756 WeakPolarHBondContact CA-OE2 3.19Å; R754-E756 PolarHBondContact O-N 3.35Å; R754-E756 VanDerWaalsContact O-N 3.1Å; E756-A759 PolarHBondContact O-N 2.81Å; E756-L760 WeakPolarHBondContact O-CG 3.36Å; E756-L760 PolarHBondContact O-N 3.46Å
757	I	94.4	Very high	93.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-44.5	175.3	-62.9	174.1	0	0	0	110.3	L700 L722 N728 A731 A732 I735 R754 N755 L760 P762	L700-I757 HydrophobicContact CD2-CD1 4.07Å; L722-I757 HydrophobicContact CD1-CD1 4.27Å; N728-I757 HydrophobicContact CB-CG1 4.38Å; A731-I757 HydrophobicContact CB-CD1 3.8Å; A731-I757 HydrophobicContact CB-CG1 4.19Å; A732-I757 HydrophobicContact CB-CG2 4.26Å; I735-I757 HydrophobicContact CD1-CG2 3.5Å; R754-I757 HydrophobicContact CB-CD1 3.85Å; R754-I757 HydrophobicContact CB-CG1 4.15Å; R754-I757 WeakPolarHBondContact O-CB 3.25Å; R754-I757 PolarHBondContact O-N 3.32Å; N755-I757 PolarHBondContact O-N 2.93Å; I757-L760 WeakPolarHBondContact O-CB 3.42Å; I757-L760 PolarHBondContact O-N 3.2Å; I757-P762 HydrophobicContact CG2-CG 4.3Å; I757-P762 WeakPolarHBondContact O-CD 3.39Å
758	F	96.8	Very high	93.7	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-69.3	-33.3	177.7	-70.6	-90.6	0	0	0	112	V668 L743 N745 N755 L760 R761 Q766 F780 M781	V668-F758 HydrophobicContact CB-CE2 4.01Å; V668-F758 HydrophobicContact CB-CZ 3.77Å; V668-F758 HydrophobicContact CG1-CE2 4.1Å; V668-F758 HydrophobicContact CG1-CZ 4.36Å; V668-F758 HydrophobicContact CG2-CE2 4.18Å; V668-F758 HydrophobicContact CG2-CZ 3.65Å; L743-F758 HydrophobicContact CB-CE1 4.23Å; L743-F758 HydrophobicContact CD2-CD1 3.92Å; L743-F758 HydrophobicContact CD2-CE1 3.52Å; L743-F758 HydrophobicContact CD2-CZ 3.95Å; L743-F758 HydrophobicContact CG-CD1 4.46Å; L743-F758 HydrophobicContact CG-CE1 3.64Å; L743-F758 HydrophobicContact CG-CZ 4.01Å; N745-F758 VanDerWaalsContact CA-CZ 3.47Å; N745-F758 HydrophobicContact CB-CD1 4.23Å; N745-F758 HydrophobicContact CB-CD2 4.4Å; N745-F758 HydrophobicContact CB-CE1 3.65Å; N745-F758 HydrophobicContact CB-CE2 3.84Å; N745-F758 HydrophobicContact CB-CZ 3.44Å; N745-F758 VanDerWaalsContact CB-CZ 3.44Å; N745-F758 WeakPolarHBondContact ND2-CD2 3.39Å; N755-F758 PolarHBondContact O-N 3.33Å; N755-F758 VanDerWaalsContact O-N 3.07Å; F758-L760 PolarHBondContact O-N 3.11Å; F758-R761 PolarHBondContact O-N 3.38Å; F758-Q766 HydrophobicContact CD1-CB 4.19Å; F758-Q766 HydrophobicContact CD1-CG 4.42Å; F758-Q766 PolarHBondContact O-NE2 3.04Å; F758-F780 HydrophobicContact CB-CD2 3.74Å; F758-F780 HydrophobicContact CB-CE2 3.77Å; F758-M781 HydrophobicContact CB-SD 3.99Å; F758-M781 HydrophobicContact CD1-CE 4.06Å; F758-M781 HydrophobicContact CD1-SD 3.69Å; F758-M781 HydrophobicContact CE1-CE 4.3Å; F758-M781 HydrophobicContact CE1-SD 4.48Å; F758-M781 HydrophobicContact CG-SD 4.04Å
759	A	93.5	Very high	93.9	Very high	9 Å²	9	17.3 Å²	17.3	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-25.5	173.6	0	0	0	0	0	113.3	V639 N755 E756 R761 F780	V639-A759 HydrophobicContact CG2-CB 4.03Å; N755-A759 PolarHBondContact O-N 3.48Å; E756-A759 PolarHBondContact O-N 2.81Å; A759-R761 VanDerWaalsContact C-N 3.29Å; A759-F780 HydrophobicContact CB-CD1 3.84Å; A759-F780 HydrophobicContact CB-CE1 3.73Å; A759-F780 HydrophobicContact CB-CG 4.39Å; A759-F780 HydrophobicContact CB-CZ 4.19Å
760	L	92.4	Very high	94	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.052	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.3	173.6	-67.7	165.5	0	0	0	113.7	V639 M643 L649 N728 A732 E756 I757 F758	V639-L760 HydrophobicContact CB-CD2 3.87Å; V639-L760 HydrophobicContact CB-CG 4.1Å; V639-L760 HydrophobicContact CG1-CD1 4.28Å; V639-L760 HydrophobicContact CG1-CD2 4.47Å; V639-L760 HydrophobicContact CG1-CG 4.22Å; V639-L760 HydrophobicContact CG2-CD2 4.01Å; V639-L760 HydrophobicContact CG2-CG 4.15Å; M643-L760 HydrophobicContact CE-CD2 4.15Å; M643-L760 HydrophobicContact CG-CD2 3.45Å; M643-L760 VanDerWaalsContact CG-CD2 3.45Å; M643-L760 HydrophobicContact SD-CD2 3.32Å; M643-L760 WeakPolarHBondContact SD-CD2 3.44Å; L649-L760 HydrophobicContact CD1-CB 4.46Å; N728-L760 HydrophobicContact CB-CD1 4.49Å; A732-L760 HydrophobicContact CB-CB 3.81Å; A732-L760 HydrophobicContact CB-CD1 3.57Å; A732-L760 HydrophobicContact CB-CG 4.33Å; E756-L760 WeakPolarHBondContact O-CG 3.36Å; E756-L760 PolarHBondContact O-N 3.46Å; I757-L760 WeakPolarHBondContact O-CB 3.42Å; I757-L760 PolarHBondContact O-N 3.2Å; F758-L760 PolarHBondContact O-N 3.11Å
761	R	94.4	Very high	94.2	Very high	67 Å²	67	17.6 Å²	17.6	25%	0.253	10%	0.1	S	C	.	.			trans	44.3	60	-178	-63.2	-161.3	64.5	112.4	10.3	114.8	H651 F758 A759 A763 P764 F780 D782	H651-R761 PolarHBondContact NE2-O 3.43Å; F758-R761 PolarHBondContact O-N 3.38Å; A759-R761 VanDerWaalsContact C-N 3.29Å; R761-A763 PolarHBondContact O-N 3.19Å; R761-P764 PolarHBondContact NH2-O 3.02Å; R761-F780 HydrophobicContact CG-CB 4.05Å; R761-F780 PolarHBondContact NH1-O 3.11Å; R761-D782 IonicContact CZ-OD1 3.37Å; R761-D782 IonicContact CZ-OD2 3.37Å; R761-D782 IonicContact NH1-OD1 2.72Å; R761-D782 PolarHBondContact NH1-OD1 3.3Å; R761-D782 IonicContact NH1-OD2 3.14Å; R761-D782 VanDerWaalsContact NH2-CG 3.29Å; R761-D782 IonicContact NH2-OD1 2.74Å; R761-D782 PolarHBondContact NH2-OD1 3.37Å; R761-D782 VanDerWaalsContact NH2-OD1 3.09Å; R761-D782 IonicContact NH2-OD2 3.73Å; R761-D782 PolarHBondContact NH2-OD2 3.35Å
762	P	95.9	Very high	95	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	8%	0.079	C	C	.	.			trans	-68.1	-16.1	176.5	29.1	-37.7	0	0	0	114.9	L649 A732 I735 A736 L743 I757	L649-P762 HydrophobicContact CD1-CB 3.79Å; A732-P762 HydrophobicContact CB-CB 4.1Å; A732-P762 HydrophobicContact CB-CG 4.14Å; A732-P762 VanDerWaalsContact O-CB 3.26Å; A732-P762 WeakPolarHBondContact O-CB 3.13Å; I735-P762 HydrophobicContact CB-CB 3.99Å; I735-P762 HydrophobicContact CB-CG 4.18Å; I735-P762 HydrophobicContact CD1-CG 4.47Å; I735-P762 HydrophobicContact CG2-CB 3.86Å; I735-P762 HydrophobicContact CG2-CG 3.88Å; A736-P762 HydrophobicContact CB-CB 4.16Å; L743-P762 HydrophobicContact CD2-CG 3.9Å; I757-P762 HydrophobicContact CG2-CG 4.3Å; I757-P762 WeakPolarHBondContact O-CD 3.39Å
763	A	97.7	Very high	95.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-119.6	152.6	174.4	0	0	0	0	0	111.1	I740 L743 R761	I740-A763 HydrophobicContact CB-CB 4.4Å; I740-A763 HydrophobicContact CG2-CB 4.22Å; I740-A763 WeakPolarHBondContact O-CB 3.48Å; L743-A763 HydrophobicContact CB-CB 3.62Å; R761-A763 PolarHBondContact O-N 3.19Å
764	P	96.8	Very high	95.6	Very high	7 Å²	7	11.2 Å²	11.2	5%	0.045	6%	0.059	C	C	.	.	S	Bend	trans	-69	-37.8	-179.1	24.9	-30.3	0	0	0	112.6	H651 I740 H741 R761 W1129 Y1132	H651-P764 HydrophobicContact CB-CB 4.17Å; H651-P764 HydrophobicContact CB-CG 4.23Å; I740-P764 WeakPolarHBondContact O-CD 3.3Å; H741-P764 WeakPolarHBondContact O-CD 3.17Å; H741-P764 WeakPolarHBondContact O-CG 3.25Å; R761-P764 PolarHBondContact NH2-O 3.02Å; P764-W1129 HydrophobicContact CG-CZ3 3.96Å; P764-Y1132 HydrophobicContact CB-CD2 4.37Å; P764-Y1132 HydrophobicContact CB-CE1 3.92Å; P764-Y1132 HydrophobicContact CB-CE2 3.66Å; P764-Y1132 VanDerWaalsContact CB-CZ 3.4Å; P764-Y1132 WeakPolarHBondContact CB-OH 3.4Å; P764-Y1132 HydrophobicContact CG-CE1 4.25Å
765	I	98.4	Very high	95.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.5	173.9	-56.9	162.5	0	0	0	109.3	H741 I742 L743 V767 D782 Y783 M1128 W1129 Y1132	H741-I765 PolarHBondContact O-N 3.1Å; I742-I765 WeakPolarHBondContact CA-O 3.34Å; I742-I765 HydrophobicContact CD1-CD1 4.32Å; I742-I765 HydrophobicContact CG1-CB 4.2Å; I742-I765 HydrophobicContact CG1-CD1 4.06Å; I742-I765 HydrophobicContact CG2-CB 4.38Å; I742-I765 HydrophobicContact CG2-CG2 4.09Å; L743-I765 PolarHBondContact N-O 2.98Å; I765-V767 HydrophobicContact CG2-CG2 3.88Å; I765-D782 WeakPolarHBondContact CA-OD2 3.5Å; I765-Y783 HydrophobicContact CG2-CD2 3.92Å; I765-Y783 HydrophobicContact CG2-CE2 4.25Å; I765-M1128 HydrophobicContact CD1-CB 4.23Å; I765-W1129 HydrophobicContact CD1-CE3 4.06Å; I765-Y1132 HydrophobicContact CD1-CG 4.26Å; I765-Y1132 HydrophobicContact CG1-CD2 4.42Å; I765-Y1132 HydrophobicContact CG1-CG 4.3Å
766	Q	98.7	Very high	95.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.5	176.1	-52.6	-165.4	134.2	0	0	111.4	L743 F758 F780 M781 D782 Y783	L743-Q766 HydrophobicContact CB-CG 4.47Å; L743-Q766 CarbonylContact O-C 3.43Å; L743-Q766 VanDerWaalsContact O-CA 3.31Å; L743-Q766 WeakPolarHBondContact O-CA 3.17Å; F758-Q766 HydrophobicContact CD1-CB 4.19Å; F758-Q766 HydrophobicContact CD1-CG 4.42Å; F758-Q766 PolarHBondContact O-NE2 3.04Å; Q766-F780 PolarHBondContact NE2-O 2.92Å; Q766-M781 HydrophobicContact CB-CE 4Å; Q766-M781 HydrophobicContact CB-SD 4.09Å; Q766-D782 PolarHBondContact N-OD2 2.95Å; Q766-D782 PolarHBondContact O-N 2.84Å; Q766-Y783 PolarHBondContact O-N 3.14Å
767	V	98.8	Very high	96.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.8	-164	-173.1	0	0	0	0	111.5	I742 L743 I744 N745 I765 M781 Y783 I785 M1128	I742-V767 HydrophobicContact CG2-CB 4.48Å; I742-V767 HydrophobicContact CG2-CG2 3.44Å; I742-V767 VanDerWaalsContact CG2-CG2 3.44Å; L743-V767 PolarHBondContact O-N 3.18Å; I744-V767 CarbonylContact C-O 3.52Å; I744-V767 WeakPolarHBondContact CA-O 3.45Å; I744-V767 HydrophobicContact CG1-CB 4.33Å; N745-V767 PolarHBondContact N-O 3.45Å; I765-V767 HydrophobicContact CG2-CG2 3.88Å; V767-M781 VanDerWaalsContact N-CE 3.34Å; V767-M781 WeakPolarHBondContact O-CE 3.33Å; V767-Y783 CarbonylContact C-O 3.55Å; V767-Y783 WeakPolarHBondContact CA-O 3.09Å; V767-I785 HydrophobicContact CG1-CD1 3.7Å; V767-I785 HydrophobicContact CG1-CG1 3.6Å; V767-M1128 HydrophobicContact CG1-CE 4.16Å; V767-M1128 HydrophobicContact CG2-CE 4.36Å; V767-M1128 HydrophobicContact CG2-SD 3.8Å
768	M	98.7	Very high	96.3	Very high	3 Å²	3	9 Å²	9	2%	0.015	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.8	169.3	-70.4	-67.1	-62.5	0	0	110.3	N745 Y772 M781 Y783 I784 I785 E801	N745-M768 HydrophobicContact CB-SD 3.82Å; M768-Y772 HydrophobicContact CE-CD1 3.72Å; M768-Y772 HydrophobicContact CE-CG 4.26Å; M768-M781 HydrophobicContact CG-CB 4.2Å; M768-M781 HydrophobicContact CG-CE 3.82Å; M768-M781 HydrophobicContact CG-CG 4.1Å; M768-M781 HydrophobicContact SD-CE 3.88Å; M768-M781 HydrophobicContact SD-CG 4.14Å; M768-M781 HydrophobicContact SD-SD 4.49Å; M768-Y783 PolarHBondContact N-O 2.83Å; M768-I784 HydrophobicContact CB-CB 4.08Å; M768-I784 HydrophobicContact CB-CD1 4.37Å; M768-I784 HydrophobicContact CB-CG1 3.92Å; M768-I784 WeakPolarHBondContact O-CA 3.22Å; M768-I785 PolarHBondContact O-N 3Å; M768-E801 HydrophobicContact CG-CG 4.35Å
769	W	98.7	Very high	96.2	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.019	9%	0.092	C	C	.	.			trans	-152.2	142.8	178.2	178.6	57.9	0	0	0	113.5	Y667 M681 I684 I744 N745 M746 G771 I785 I812 Y1117 M1121	Y667-W769 HydrophobicContact CD1-CE3 4.01Å; Y667-W769 AromaticContact CD1-CZ3 3.68Å; Y667-W769 HydrophobicContact CD1-CZ3 3.68Å; Y667-W769 AromaticContact CE1-CE3 3.72Å; Y667-W769 HydrophobicContact CE1-CE3 3.72Å; Y667-W769 HydrophobicContact CE1-CH2 4.1Å; Y667-W769 AromaticContact CE1-CZ3 3.3Å; Y667-W769 HydrophobicContact CE1-CZ3 3.3Å; M681-W769 HydrophobicContact CB-CH2 4.01Å; M681-W769 HydrophobicContact CE-CH2 4.24Å; M681-W769 HydrophobicContact CE-CZ3 3.98Å; M681-W769 HydrophobicContact CG-CH2 4.46Å; I684-W769 HydrophobicContact CD1-CH2 3.77Å; I684-W769 HydrophobicContact CD1-CZ2 3.94Å; I684-W769 HydrophobicContact CG2-CH2 4.45Å; I744-W769 HydrophobicContact CG2-CB 3.6Å; I744-W769 HydrophobicContact CG2-CD2 4.37Å; I744-W769 HydrophobicContact CG2-CE3 3.86Å; I744-W769 HydrophobicContact CG2-CG 4.34Å; N745-W769 PolarHBondContact O-N 3.41Å; N745-W769 VanDerWaalsContact O-N 3.09Å; M746-W769 HydrophobicContact CE-CE3 4.04Å; M746-W769 HydrophobicContact CE-CZ3 3.7Å; M746-W769 HydrophobicContact CG-CE3 4.02Å; M746-W769 HydrophobicContact CG-CZ3 4.5Å; M746-W769 HydrophobicContact SD-CE3 4.16Å; M746-W769 HydrophobicContact SD-CZ3 4.04Å; W769-G771 VanDerWaalsContact C-N 3.32Å; W769-G771 PolarHBondContact O-N 3.5Å; W769-I785 HydrophobicContact CB-CB 4.33Å; W769-I785 HydrophobicContact CB-CD1 4.44Å; W769-I785 HydrophobicContact CG-CB 4.3Å; W769-I785 HydrophobicContact CG-CD1 4.4Å; W769-I812 HydrophobicContact CZ2-CG2 4.5Å; W769-Y1117 AromaticContact CZ2-CE1 3.76Å; W769-Y1117 HydrophobicContact CZ2-CE1 3.76Å; W769-Y1117 PolarHBondContact NE1-OH 3.11Å; W769-M1121 HydrophobicContact CD2-CE 3.78Å; W769-M1121 HydrophobicContact CE3-CE 4.01Å; W769-M1121 HydrophobicContact CG-CE 4.31Å; W769-M1121 HydrophobicContact CH2-CE 4.17Å; W769-M1121 HydrophobicContact CH2-SD 4.29Å; W769-M1121 HydrophobicContact CZ2-CE 3.97Å; W769-M1121 HydrophobicContact CZ2-SD 4.01Å; W769-M1121 HydrophobicContact CZ3-CE 4.19Å
770	L	96.6	Very high	96.3	Very high	12 Å²	12	15.6 Å²	15.6	6%	0.063	9%	0.091	C	C	.	.	S	Bend	trans	58.7	-64.3	168.1	-166.9	63.4	0	0	0	117.6	L680 M681 Y772 F811 I812	L680-L770 HydrophobicContact CB-CD2 4.15Å; L680-L770 HydrophobicContact CD1-CD1 4.12Å; L680-L770 HydrophobicContact CD1-CG 4.44Å; M681-L770 HydrophobicContact CB-CD2 3.95Å; M681-L770 HydrophobicContact CG-CD2 4.04Å; L770-Y772 VanDerWaalsContact C-N 3.32Å; L770-Y772 PolarHBondContact O-N 3.12Å; L770-F811 HydrophobicContact CD1-CD2 4.04Å; L770-F811 HydrophobicContact CD1-CE2 3.97Å; L770-F811 HydrophobicContact CD1-CG 4.48Å; L770-F811 HydrophobicContact CD1-CZ 4.36Å; L770-I812 HydrophobicContact CD2-CG2 4.46Å
771	G	92	Very high	96.5	Very high	19 Å²	19	15.4 Å²	15.4	20%	0.196	9%	0.09	C	C	.	.	S	Bend	trans	-77.3	-4.2	-165.1	0	0	0	0	0	116.7	M746 W769	M746-G771 WeakPolarHBondContact O-CA 3.33Å; W769-G771 VanDerWaalsContact C-N 3.32Å; W769-G771 PolarHBondContact O-N 3.5Å
772	Y	96	Very high	96.7	Very high	9 Å²	9	13.1 Å²	13.1	4%	0.035	8%	0.083	C	C	.	.			trans	-136.4	113.7	177.2	-174.3	-109.2	0	0	0	112	P611 H612 Y749 T750 M768 L770 S774 T775	P611-Y772 VanDerWaalsContact C-OH 3.25Å; P611-Y772 WeakPolarHBondContact CB-OH 3.36Å; P611-Y772 PolarHBondContact O-OH 3.42Å; H612-Y772 HydrophobicContact CB-CE2 4.13Å; H612-Y772 PolarHBondContact N-OH 2.94Å; Y749-Y772 HydrophobicContact CD2-CE1 4.09Å; Y749-Y772 HydrophobicContact CD2-CE2 4.45Å; Y749-Y772 AromaticContact CD2-CZ 3.83Å; T750-Y772 HydrophobicContact CG2-CD2 4.2Å; M768-Y772 HydrophobicContact CE-CD1 3.72Å; M768-Y772 HydrophobicContact CE-CG 4.26Å; L770-Y772 VanDerWaalsContact C-N 3.32Å; L770-Y772 PolarHBondContact O-N 3.12Å; Y772-S774 WeakPolarHBondContact CD1-O 3.48Å; Y772-S774 WeakPolarHBondContact CE1-O 3.33Å; Y772-S774 PolarHBondContact O-N 2.9Å; Y772-T775 WeakPolarHBondContact CE1-O 3.49Å
773	P	94.2	Very high	96.9	Very high	15 Å²	15	13 Å²	13	10%	0.097	8%	0.082	C	C	.	.	S	Bend	trans	-86.7	42.3	-169.2	37	-38.9	0	0	0	113.5	M615 L1056 A1057	M615-P773 HydrophobicContact CE-CG 4.43Å; M615-P773 HydrophobicContact SD-CG 3.89Å; P773-L1056 HydrophobicContact CB-CD2 3.85Å; P773-A1057 HydrophobicContact CB-CB 4.05Å; P773-A1057 HydrophobicContact CG-CB 4.36Å
774	S	94.8	Very high	96.9	Very high	18 Å²	18	13.2 Å²	13.2	13%	0.126	8%	0.083	C	C	.	.	S	Bend	trans	-162.5	175.1	177.6	-167.9	0	0	0	0	111.5	Y772	Y772-S774 WeakPolarHBondContact CD1-O 3.48Å; Y772-S774 WeakPolarHBondContact CE1-O 3.33Å; Y772-S774 PolarHBondContact O-N 2.9Å
775	T	97.7	Very high	97	Very high	1 Å²	1	13 Å²	13	1%	0.006	8%	0.082	C	C	.	.			trans	-68	143.3	172.6	-179.7	0	0	0	0	112.2	I625 Y772 G777 A798 T800 E801	I625-T775 HydrophobicContact CG1-CG2 3.91Å; Y772-T775 WeakPolarHBondContact CE1-O 3.49Å; T775-G777 PolarHBondContact O-N 2.95Å; T775-G777 PolarHBondContact OG1-N 2.67Å; T775-G777 VanDerWaalsContact OG1-N 3.09Å; T775-A798 WeakPolarHBondContact CG2-O 3.34Å; T775-T800 PolarHBondContact OG1-N 3.47Å; T775-T800 PolarHBondContact OG1-OG1 2.93Å; T775-E801 WeakPolarHBondContact CB-OE2 3.36Å; T775-E801 PolarHBondContact OG1-OE1 3.13Å; T775-E801 PolarHBondContact OG1-OE2 3.27Å
776	S	97.2	Very high	97	Very high	4 Å²	4	13 Å²	13	3%	0.028	8%	0.082	C	C	.	.			trans	-70.2	-19	168.7	69.2	0	0	0	0	112.8	A628 Y749 A778 M781 E801	A628-S776 CarbonylContact C-O 3.5Å; A628-S776 WeakPolarHBondContact CB-O 3.4Å; Y749-S776 WeakPolarHBondContact CE2-O 3.38Å; Y749-S776 PolarHBondContact OH-O 3.2Å; S776-A778 PolarHBondContact O-N 3.04Å; S776-A778 VanDerWaalsContact O-N 3.1Å; S776-A778 WeakPolarHBondContact OG-CB 3.48Å; S776-A778 PolarHBondContact OG-N 3.08Å; S776-M781 WeakPolarHBondContact OG-CG 3.2Å; S776-E801 WeakPolarHBondContact CA-OE1 3.21Å; S776-E801 WeakPolarHBondContact CB-OE1 3.31Å; S776-E801 PolarHBondContact N-OE1 3.11Å; S776-E801 PolarHBondContact OG-OE1 3.36Å
777	G	96.8	Very high	96.9	Very high	6 Å²	6	13 Å²	13	6%	0.062	8%	0.082	C	C	.	.			trans	62.4	9.8	-172.7	0	0	0	0	0	113.9	A629 T775 T800	A629-G777 VanDerWaalsContact CA-O 3.26Å; A629-G777 WeakPolarHBondContact CA-O 3.45Å; A629-G777 VanDerWaalsContact CB-O 3.27Å; A629-G777 WeakPolarHBondContact CB-O 3.39Å; T775-G777 PolarHBondContact O-N 2.95Å; T775-G777 PolarHBondContact OG1-N 2.67Å; T775-G777 VanDerWaalsContact OG1-N 3.09Å; G777-T800 VanDerWaalsContact C-OG1 3.3Å; G777-T800 WeakPolarHBondContact CA-OG1 3.41Å; G777-T800 PolarHBondContact N-OG1 2.97Å
778	A	96.2	Very high	96.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	9%	0.085	C	C	.	.			trans	-100	134.7	-168	0	0	0	0	0	112.1	A632 S776 F780 M781 T800	A632-A778 HydrophobicContact CB-CB 3.59Å; S776-A778 PolarHBondContact O-N 3.04Å; S776-A778 VanDerWaalsContact O-N 3.1Å; S776-A778 WeakPolarHBondContact OG-CB 3.48Å; S776-A778 PolarHBondContact OG-N 3.08Å; A778-F780 HydrophobicContact CB-CD1 3.97Å; A778-F780 HydrophobicContact CB-CD2 3.85Å; A778-F780 HydrophobicContact CB-CE1 3.71Å; A778-F780 HydrophobicContact CB-CE2 3.58Å; A778-F780 HydrophobicContact CB-CG 4.04Å; A778-F780 HydrophobicContact CB-CZ 3.51Å; A778-F780 PolarHBondContact O-N 3.37Å; A778-M781 HydrophobicContact CB-CG 4.15Å; A778-M781 PolarHBondContact O-N 3.45Å; A778-T800 PolarHBondContact N-OG1 2.92Å
779	T	94.7	Very high	96.6	Very high	139 Å²	139	13.7 Å²	13.7	85%	0.853	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.2	172.7	53.3	0	0	0	0	113.8
780	F	94.7	Very high	96.5	Very high	10 Å²	10	13.5 Å²	13.5	4%	0.044	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.9	175.7	56.3	-107.8	0	0	0	113.7	A632 N755 F758 A759 R761 Q766 A778	A632-F780 HydrophobicContact CB-CE1 4.09Å; A632-F780 HydrophobicContact CB-CZ 4.27Å; N755-F780 HydrophobicContact CB-CZ 4.48Å; F758-F780 HydrophobicContact CB-CD2 3.74Å; F758-F780 HydrophobicContact CB-CE2 3.77Å; A759-F780 HydrophobicContact CB-CD1 3.84Å; A759-F780 HydrophobicContact CB-CE1 3.73Å; A759-F780 HydrophobicContact CB-CG 4.39Å; A759-F780 HydrophobicContact CB-CZ 4.19Å; R761-F780 HydrophobicContact CG-CB 4.05Å; R761-F780 PolarHBondContact NH1-O 3.11Å; Q766-F780 PolarHBondContact NE2-O 2.92Å; A778-F780 HydrophobicContact CB-CD1 3.97Å; A778-F780 HydrophobicContact CB-CD2 3.85Å; A778-F780 HydrophobicContact CB-CE1 3.71Å; A778-F780 HydrophobicContact CB-CE2 3.58Å; A778-F780 HydrophobicContact CB-CG 4.04Å; A778-F780 HydrophobicContact CB-CZ 3.51Å; A778-F780 PolarHBondContact O-N 3.37Å
781	M	98.2	Very high	96.5	Very high	6 Å²	6	13 Å²	13	3%	0.03	8%	0.084	C	C	.	.			trans	-104.4	122.3	170.9	-60.6	-51.5	-60.7	0	0	109	N745 F758 Q766 V767 M768 S776 A778 E801	N745-M781 HydrophobicContact CB-CE 3.71Å; F758-M781 HydrophobicContact CB-SD 3.99Å; F758-M781 HydrophobicContact CD1-CE 4.06Å; F758-M781 HydrophobicContact CD1-SD 3.69Å; F758-M781 HydrophobicContact CE1-CE 4.3Å; F758-M781 HydrophobicContact CE1-SD 4.48Å; F758-M781 HydrophobicContact CG-SD 4.04Å; Q766-M781 HydrophobicContact CB-CE 4Å; Q766-M781 HydrophobicContact CB-SD 4.09Å; V767-M781 VanDerWaalsContact N-CE 3.34Å; V767-M781 WeakPolarHBondContact O-CE 3.33Å; M768-M781 HydrophobicContact CG-CB 4.2Å; M768-M781 HydrophobicContact CG-CE 3.82Å; M768-M781 HydrophobicContact CG-CG 4.1Å; M768-M781 HydrophobicContact SD-CE 3.88Å; M768-M781 HydrophobicContact SD-CG 4.14Å; M768-M781 HydrophobicContact SD-SD 4.49Å; S776-M781 WeakPolarHBondContact OG-CG 3.2Å; A778-M781 HydrophobicContact CB-CG 4.15Å; A778-M781 PolarHBondContact O-N 3.45Å; M781-E801 HydrophobicContact CB-CG 3.8Å
782	D	98.5	Very high	96.6	Very high	19 Å²	19	12.2 Å²	12.2	10%	0.102	8%	0.075	C	C	.	.			trans	-89.7	-42.2	-170.9	-53.1	-53.8	0	0	0	111.5	R761 I765 Q766 K802 I1138	R761-D782 IonicContact CZ-OD1 3.37Å; R761-D782 IonicContact CZ-OD2 3.37Å; R761-D782 IonicContact NH1-OD1 2.72Å; R761-D782 PolarHBondContact NH1-OD1 3.3Å; R761-D782 IonicContact NH1-OD2 3.14Å; R761-D782 VanDerWaalsContact NH2-CG 3.29Å; R761-D782 IonicContact NH2-OD1 2.74Å; R761-D782 PolarHBondContact NH2-OD1 3.37Å; R761-D782 VanDerWaalsContact NH2-OD1 3.09Å; R761-D782 IonicContact NH2-OD2 3.73Å; R761-D782 PolarHBondContact NH2-OD2 3.35Å; I765-D782 WeakPolarHBondContact CA-OD2 3.5Å; Q766-D782 PolarHBondContact N-OD2 2.95Å; Q766-D782 PolarHBondContact O-N 2.84Å; D782-K802 PolarHBondContact O-N 2.99Å; D782-I1138 HydrophobicContact CB-CD1 4.28Å; D782-I1138 HydrophobicContact CB-CG1 4.32Å; D782-I1138 HydrophobicContact CB-CG2 3.88Å; D782-I1138 WeakPolarHBondContact O-CG2 3.23Å
783	Y	98.8	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.1	-177.6	-70.1	-80.5	0	0	0	112.9	I765 Q766 V767 M768 K802 A804 M1128 I1138 D1139 I1141	I765-Y783 HydrophobicContact CG2-CD2 3.92Å; I765-Y783 HydrophobicContact CG2-CE2 4.25Å; Q766-Y783 PolarHBondContact O-N 3.14Å; V767-Y783 CarbonylContact C-O 3.55Å; V767-Y783 WeakPolarHBondContact CA-O 3.09Å; M768-Y783 PolarHBondContact N-O 2.83Å; Y783-K802 CarbonylContact C-O 3.6Å; Y783-K802 VanDerWaalsContact CA-O 3.23Å; Y783-K802 WeakPolarHBondContact CA-O 3.32Å; Y783-K802 HydrophobicContact CD1-CB 3.73Å; Y783-K802 WeakPolarHBondContact CD1-O 3.32Å; Y783-K802 HydrophobicContact CE1-CB 3.8Å; Y783-A804 HydrophobicContact CD1-CB 3.96Å; Y783-M1128 HydrophobicContact CD1-CE 4.24Å; Y783-M1128 HydrophobicContact CD2-CE 4.24Å; Y783-M1128 HydrophobicContact CD2-CG 4.05Å; Y783-M1128 HydrophobicContact CD2-SD 3.89Å; Y783-M1128 HydrophobicContact CE2-CB 4.27Å; Y783-M1128 HydrophobicContact CE2-CG 3.98Å; Y783-M1128 HydrophobicContact CE2-SD 4.41Å; Y783-M1128 HydrophobicContact CG-CE 3.85Å; Y783-M1128 HydrophobicContact CG-CG 4.42Å; Y783-M1128 HydrophobicContact CG-SD 4.13Å; Y783-I1138 HydrophobicContact CD2-CG2 4.38Å; Y783-I1138 HydrophobicContact CE1-CG2 4.32Å; Y783-I1138 HydrophobicContact CE2-CD1 3.85Å; Y783-I1138 HydrophobicContact CE2-CG2 3.89Å; Y783-D1139 VanDerWaalsContact CE1-O 3.23Å; Y783-D1139 WeakPolarHBondContact CE1-O 3.38Å; Y783-D1139 PolarHBondContact OH-O 3.29Å; Y783-I1141 HydrophobicContact CE1-CD1 3.82Å; Y783-I1141 HydrophobicContact CE1-CG1 4Å
784	I	98.6	Very high	96.5	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122	161.2	-175.6	168.1	0	0	0	108.8	M768 T786 F799 E801 K802 L803 A804 L1056	M768-I784 HydrophobicContact CB-CB 4.08Å; M768-I784 HydrophobicContact CB-CD1 4.37Å; M768-I784 HydrophobicContact CB-CG1 3.92Å; M768-I784 WeakPolarHBondContact O-CA 3.22Å; I784-T786 PolarHBondContact O-N 3.37Å; I784-F799 HydrophobicContact CD1-CD1 3.98Å; I784-F799 HydrophobicContact CD1-CE1 3.94Å; I784-F799 HydrophobicContact CG2-CD1 4.18Å; I784-E801 HydrophobicContact CB-CB 3.99Å; I784-E801 HydrophobicContact CB-CG 4.38Å; I784-E801 HydrophobicContact CG2-CB 3.94Å; I784-K802 PolarHBondContact N-O 3.1Å; I784-L803 HydrophobicContact CG2-CD2 3.71Å; I784-A804 PolarHBondContact O-N 3.46Å; I784-L1056 HydrophobicContact CD1-CD1 3.95Å
785	I	98.6	Very high	96.5	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.1	172.2	-68.1	171	0	0	0	107.5	V767 M768 W769 A804 M806 F810 M1121 L1124 L1125 M1128	V767-I785 HydrophobicContact CG1-CD1 3.7Å; V767-I785 HydrophobicContact CG1-CG1 3.6Å; M768-I785 PolarHBondContact O-N 3Å; W769-I785 HydrophobicContact CB-CB 4.33Å; W769-I785 HydrophobicContact CB-CD1 4.44Å; W769-I785 HydrophobicContact CG-CB 4.3Å; W769-I785 HydrophobicContact CG-CD1 4.4Å; I785-A804 WeakPolarHBondContact CA-O 3.48Å; I785-A804 HydrophobicContact CG1-CB 4.49Å; I785-M806 HydrophobicContact CG2-CG 3.69Å; I785-M806 HydrophobicContact CG2-SD 4.19Å; I785-F810 HydrophobicContact CG2-CB 4.49Å; I785-M1121 HydrophobicContact CD1-CE 3.89Å; I785-L1124 HydrophobicContact CG1-CD2 4.09Å; I785-L1124 HydrophobicContact CG2-CD2 4.14Å; I785-L1125 HydrophobicContact CD1-CD2 4.27Å; I785-M1128 HydrophobicContact CD1-CE 4.34Å; I785-M1128 HydrophobicContact CG1-CE 3.91Å
786	T	98.1	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-159.8	-176.8	-172.4	0	0	0	0	108.2	I784 S791 L803 A804 Y805 M806 F810	I784-T786 PolarHBondContact O-N 3.37Å; T786-S791 VanDerWaalsContact OG1-CB 3.26Å; T786-S791 WeakPolarHBondContact OG1-CB 3.14Å; T786-S791 PolarHBondContact OG1-OG 3.22Å; T786-L803 HydrophobicContact CG2-CB 4.16Å; T786-L803 HydrophobicContact CG2-CD2 4.22Å; T786-A804 PolarHBondContact N-O 3.03Å; T786-Y805 HydrophobicContact CG2-CD1 3.83Å; T786-Y805 HydrophobicContact CG2-CE1 3.86Å; T786-Y805 CarbonylContact O-C 3.59Å; T786-Y805 WeakPolarHBondContact O-CA 3.4Å; T786-M806 PolarHBondContact O-N 3.48Å; T786-F810 VanDerWaalsContact CA-CB 3.48Å
787	D	96.8	Very high	96.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.148	C	C	.	.			trans	-147.9	169.5	175.1	66.9	70.7	0	0	0	111.7	V789 T790 S791 Y805 T809 F810 S1063	D787-V789 PolarHBondContact O-N 3.14Å; D787-V789 WeakPolarHBondContact OD1-CA 3.49Å; D787-V789 WeakPolarHBondContact OD1-CB 3.42Å; D787-V789 PolarHBondContact OD1-N 2.7Å; D787-T790 VanDerWaalsContact CG-OG1 3.3Å; D787-T790 PolarHBondContact O-N 2.8Å; D787-T790 PolarHBondContact OD1-N 3.02Å; D787-T790 PolarHBondContact OD1-OG1 3.39Å; D787-T790 WeakPolarHBondContact OD2-CB 3.43Å; D787-T790 PolarHBondContact OD2-OG1 3.09Å; D787-S791 PolarHBondContact O-N 2.89Å; D787-Y805 WeakPolarHBondContact O-CE1 3.37Å; D787-T809 WeakPolarHBondContact OD2-CA 3.42Å; D787-F810 WeakPolarHBondContact OD2-CD1 3.4Å; D787-F810 PolarHBondContact OD2-N 3.22Å; D787-S1063 PolarHBondContact OD1-OG 3.01Å; D787-S1063 PolarHBondContact OD2-OG 3.44Å
788	A	95.6	Very high	96.3	Very high	8 Å²	8	28 Å²	28	7%	0.066	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.6	-175.8	0	0	0	0	0	115	P792 Y805 T1147	A788-P792 WeakPolarHBondContact O-CA 3.46Å; A788-P792 WeakPolarHBondContact O-CB 3.26Å; A788-Y805 HydrophobicContact CB-CD2 3.95Å; A788-Y805 HydrophobicContact CB-CE2 3.73Å; A788-T1147 WeakPolarHBondContact O-CG2 3.5Å; A788-T1147 PolarHBondContact O-OG1 3.18Å
789	V	95.7	Very high	96.4	Very high	9 Å²	9	29 Å²	29	6%	0.055	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-47.5	177.9	173	0	0	0	0	110.6	D787 R1059 T1062 Y1066 P1148 L1151	D787-V789 PolarHBondContact O-N 3.14Å; D787-V789 WeakPolarHBondContact OD1-CA 3.49Å; D787-V789 WeakPolarHBondContact OD1-CB 3.42Å; D787-V789 PolarHBondContact OD1-N 2.7Å; V789-R1059 PolarHBondContact O-NE 3.4Å; V789-R1059 PolarHBondContact O-NH2 2.88Å; V789-T1062 HydrophobicContact CG1-CG2 3.66Å; V789-Y1066 HydrophobicContact CG1-CD2 4.41Å; V789-Y1066 HydrophobicContact CG2-CD1 4.47Å; V789-Y1066 HydrophobicContact CG2-CG 4.22Å; V789-P1148 HydrophobicContact CG2-CG 3.91Å; V789-L1151 HydrophobicContact CG1-CD1 3.97Å; V789-L1151 HydrophobicContact CG2-CD1 4.3Å
790	T	96.9	Very high	96.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-41.9	178.3	-61.7	0	0	0	0	111.8	D787 F810 L1056 R1059 S1063	D787-T790 VanDerWaalsContact CG-OG1 3.3Å; D787-T790 PolarHBondContact O-N 2.8Å; D787-T790 PolarHBondContact OD1-N 3.02Å; D787-T790 PolarHBondContact OD1-OG1 3.39Å; D787-T790 WeakPolarHBondContact OD2-CB 3.43Å; D787-T790 PolarHBondContact OD2-OG1 3.09Å; T790-F810 HydrophobicContact CG2-CD1 4.01Å; T790-F810 HydrophobicContact CG2-CE1 3.65Å; T790-F810 HydrophobicContact CG2-CZ 4.48Å; T790-L1056 HydrophobicContact CG2-CD2 3.93Å; T790-L1056 HydrophobicContact CG2-CG 3.67Å; T790-R1059 WeakPolarHBondContact O-CD 3.49Å; T790-S1063 WeakPolarHBondContact OG1-CB 3.43Å; T790-S1063 PolarHBondContact OG1-OG 3.1Å
791	S	95.9	Very high	96.7	Very high	2 Å²	2	25 Å²	25	1%	0.014	13%	0.129	C	C	.	.	S	Bend	trans	-140.6	66.3	-175.1	-58.7	0	0	0	0	110.7	T786 D787 F799 L803 Y805	T786-S791 VanDerWaalsContact OG1-CB 3.26Å; T786-S791 WeakPolarHBondContact OG1-CB 3.14Å; T786-S791 PolarHBondContact OG1-OG 3.22Å; D787-S791 PolarHBondContact O-N 2.89Å; S791-F799 WeakPolarHBondContact OG-CZ 3.49Å; S791-L803 WeakPolarHBondContact O-CD1 3.36Å; S791-Y805 WeakPolarHBondContact O-CE1 3.39Å; S791-Y805 PolarHBondContact O-OH 2.99Å
792	P	94.8	Very high	96.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.14	C	C	.	.			trans	-57.6	147.7	179.7	27	-37.3	0	0	0	111.2	A788 R794 L795 Y805 T1147	A788-P792 WeakPolarHBondContact O-CA 3.46Å; A788-P792 WeakPolarHBondContact O-CB 3.26Å; P792-R794 HydrophobicContact CB-CG 4.21Å; P792-R794 HydrophobicContact CG-CG 4.11Å; P792-R794 PolarHBondContact O-N 3.22Å; P792-L795 HydrophobicContact CG-CD1 3.94Å; P792-L795 HydrophobicContact CG-CG 4.2Å; P792-L795 WeakPolarHBondContact O-CA 3.4Å; P792-L795 PolarHBondContact O-N 3.12Å; P792-Y805 WeakPolarHBondContact CA-OH 3.29Å; P792-T1147 HydrophobicContact CB-CG2 3.86Å; P792-T1147 WeakPolarHBondContact CB-OG1 3.41Å
793	L	93.3	Very high	96.7	Very high	87 Å²	87	26.6 Å²	26.6	46%	0.455	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-52.3	-29.7	-175	-83.4	170.5	0	0	0	114	L795 A796 Y805 T1142	L793-L795 PolarHBondContact O-N 2.84Å; L793-L795 VanDerWaalsContact O-N 3.14Å; L793-A796 VanDerWaalsContact O-CB 3.23Å; L793-A796 WeakPolarHBondContact O-CB 3.28Å; L793-A796 PolarHBondContact O-N 3.14Å; L793-Y805 PolarHBondContact N-OH 3.36Å; L793-T1142 HydrophobicContact CD1-CG2 4.5Å; L793-T1142 HydrophobicContact CD2-CG2 3.98Å; L793-T1142 HydrophobicContact CG-CG2 4.29Å
794	R	93.9	Very high	96.6	Very high	142 Å²	142	26.6 Å²	26.6	54%	0.536	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-60.5	-18	174.1	72.8	-175.1	-175.8	72.5	-3	114.5	P792 L1151	P792-R794 HydrophobicContact CB-CG 4.21Å; P792-R794 HydrophobicContact CG-CG 4.11Å; P792-R794 PolarHBondContact O-N 3.22Å; R794-L1151 PolarHBondContact NE-O 3.3Å; R794-L1151 PolarHBondContact NH2-O 3.36Å; R794-L1151 PolarHBondContact NH2-OXT 3.42Å
795	L	94.7	Very high	96.6	Very high	10 Å²	10	27 Å²	27	5%	0.052	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-110.9	13.4	176.6	-59.9	177	0	0	0	112.4	P792 L793 N797 A798	P792-L795 HydrophobicContact CG-CD1 3.94Å; P792-L795 HydrophobicContact CG-CG 4.2Å; P792-L795 WeakPolarHBondContact O-CA 3.4Å; P792-L795 PolarHBondContact O-N 3.12Å; L793-L795 PolarHBondContact O-N 2.84Å; L793-L795 VanDerWaalsContact O-N 3.14Å; L795-N797 PolarHBondContact O-N 3.29Å; L795-N797 VanDerWaalsContact O-N 3.13Å; L795-A798 WeakPolarHBondContact O-CB 3.45Å; L795-A798 PolarHBondContact O-N 3.37Å
796	A	95.9	Very high	96.5	Very high	21 Å²	21	27 Å²	27	17%	0.174	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-59.8	-24.1	177.5	0	0	0	0	0	113	L793 A798 F799 L803	L793-A796 VanDerWaalsContact O-CB 3.23Å; L793-A796 WeakPolarHBondContact O-CB 3.28Å; L793-A796 PolarHBondContact O-N 3.14Å; A796-A798 PolarHBondContact O-N 3.09Å; A796-F799 PolarHBondContact O-N 3.02Å; A796-L803 HydrophobicContact CB-CD1 3.9Å; A796-L803 HydrophobicContact CB-CG 4.4Å
797	N	95.9	Very high	96.3	Very high	114 Å²	114	29.6 Å²	29.6	61%	0.61	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-67.7	-3.9	172	68.7	-19.7	0	0	0	114.6	I625 L795 F799	I625-N797 WeakPolarHBondContact CD1-O 3.43Å; L795-N797 PolarHBondContact O-N 3.29Å; L795-N797 VanDerWaalsContact O-N 3.13Å; N797-F799 VanDerWaalsContact C-N 3.34Å
798	A	96.4	Very high	96.1	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-87.3	-1.8	173	0	0	0	0	0	113.9	H621 T775 L795 A796	H621-A798 HydrophobicContact CB-CB 4.05Å; H621-A798 WeakPolarHBondContact ND1-CB 3.4Å; T775-A798 WeakPolarHBondContact CG2-O 3.34Å; L795-A798 WeakPolarHBondContact O-CB 3.45Å; L795-A798 PolarHBondContact O-N 3.37Å; A796-A798 PolarHBondContact O-N 3.09Å
799	F	97.8	Very high	96.2	Very high	22 Å²	22	30.4 Å²	30.4	10%	0.096	16%	0.156	C	C	.	.			trans	-129.9	145.5	-174.8	-55.2	-89.1	0	0	0	111.1	I784 S791 A796 N797 L803 L1056	I784-F799 HydrophobicContact CD1-CD1 3.98Å; I784-F799 HydrophobicContact CD1-CE1 3.94Å; I784-F799 HydrophobicContact CG2-CD1 4.18Å; S791-F799 WeakPolarHBondContact OG-CZ 3.49Å; A796-F799 PolarHBondContact O-N 3.02Å; N797-F799 VanDerWaalsContact C-N 3.34Å; F799-L803 HydrophobicContact CB-CD2 4.13Å; F799-L803 HydrophobicContact CD1-CD2 4.48Å; F799-L803 HydrophobicContact CD2-CD2 3.62Å; F799-L803 HydrophobicContact CE2-CD2 4.14Å; F799-L803 HydrophobicContact CG-CD2 3.81Å; F799-L1056 HydrophobicContact CE1-CB 4.43Å; F799-L1056 HydrophobicContact CE1-CD1 3.84Å; F799-L1056 HydrophobicContact CZ-CB 4.19Å; F799-L1056 HydrophobicContact CZ-CD1 4.19Å
800	T	97.8	Very high	96.2	Very high	61 Å²	61	30.3 Å²	30.3	37%	0.374	16%	0.155	S	C	.	.	S	Bend	trans	-86	-28.9	166	51.6	0	0	0	0	112	I625 T775 G777 A778	I625-T800 HydrophobicContact CG2-CG2 3.72Å; T775-T800 PolarHBondContact OG1-N 3.47Å; T775-T800 PolarHBondContact OG1-OG1 2.93Å; G777-T800 VanDerWaalsContact C-OG1 3.3Å; G777-T800 WeakPolarHBondContact CA-OG1 3.41Å; G777-T800 PolarHBondContact N-OG1 2.97Å; A778-T800 PolarHBondContact N-OG1 2.92Å
801	E	98.4	Very high	96.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	16%	0.156	C	C	.	.	S	Bend	trans	-76	155.6	176.3	-51.9	89.2	161.4	0	0	111.6	M768 T775 S776 M781 I784	M768-E801 HydrophobicContact CG-CG 4.35Å; T775-E801 WeakPolarHBondContact CB-OE2 3.36Å; T775-E801 PolarHBondContact OG1-OE1 3.13Å; T775-E801 PolarHBondContact OG1-OE2 3.27Å; S776-E801 WeakPolarHBondContact CA-OE1 3.21Å; S776-E801 WeakPolarHBondContact CB-OE1 3.31Å; S776-E801 PolarHBondContact N-OE1 3.11Å; S776-E801 PolarHBondContact OG-OE1 3.36Å; M781-E801 HydrophobicContact CB-CG 3.8Å; I784-E801 HydrophobicContact CB-CB 3.99Å; I784-E801 HydrophobicContact CB-CG 4.38Å; I784-E801 HydrophobicContact CG2-CB 3.94Å
802	K	98.2	Very high	96.4	Very high	60 Å²	60	30.4 Å²	30.4	26%	0.261	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.8	169.4	-66.5	-64.2	-170.3	157.5	0	110.6	D782 Y783 I784 A804 I1138 D1139 H1140	D782-K802 PolarHBondContact O-N 2.99Å; Y783-K802 CarbonylContact C-O 3.6Å; Y783-K802 VanDerWaalsContact CA-O 3.23Å; Y783-K802 WeakPolarHBondContact CA-O 3.32Å; Y783-K802 HydrophobicContact CD1-CB 3.73Å; Y783-K802 WeakPolarHBondContact CD1-O 3.32Å; Y783-K802 HydrophobicContact CE1-CB 3.8Å; I784-K802 PolarHBondContact N-O 3.1Å; K802-A804 PolarHBondContact O-N 2.98Å; K802-I1138 HydrophobicContact CB-CG2 4.23Å; K802-I1138 HydrophobicContact CG-CG2 3.83Å; K802-D1139 WeakPolarHBondContact CE-OD1 3.42Å; K802-D1139 IonicContact NZ-OD1 3.91Å; K802-D1139 PolarHBondContact NZ-OD1 3.01Å; K802-H1140 VanDerWaalsContact CD-NE2 3.35Å; K802-H1140 WeakPolarHBondContact CD-NE2 3.36Å; K802-H1140 PolarHBondContact NZ-CD2 2.82Å; K802-H1140 PolarHBondContact NZ-NE2 3.05Å; K802-H1140 VanDerWaalsContact NZ-NE2 3.13Å
803	L	98	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	128.5	176.4	-48.3	-173.2	0	0	0	109.8	I784 T786 S791 A796 F799 Y805 H1140 I1141	I784-L803 HydrophobicContact CG2-CD2 3.71Å; T786-L803 HydrophobicContact CG2-CB 4.16Å; T786-L803 HydrophobicContact CG2-CD2 4.22Å; S791-L803 WeakPolarHBondContact O-CD1 3.36Å; A796-L803 HydrophobicContact CB-CD1 3.9Å; A796-L803 HydrophobicContact CB-CG 4.4Å; F799-L803 HydrophobicContact CB-CD2 4.13Å; F799-L803 HydrophobicContact CD1-CD2 4.48Å; F799-L803 HydrophobicContact CD2-CD2 3.62Å; F799-L803 HydrophobicContact CE2-CD2 4.14Å; F799-L803 HydrophobicContact CG-CD2 3.81Å; L803-Y805 HydrophobicContact CB-CD1 4.35Å; L803-Y805 HydrophobicContact CB-CE1 3.91Å; L803-Y805 HydrophobicContact CD1-CE1 4.02Å; L803-H1140 PolarHBondContact N-ND1 3.3Å; L803-H1140 WeakPolarHBondContact O-CA 3.49Å; L803-I1141 PolarHBondContact O-N 3.18Å
804	A	97.9	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.4	171	0	0	0	0	0	108.1	Y783 I784 I785 T786 K802 L1124 M1128 I1141	Y783-A804 HydrophobicContact CD1-CB 3.96Å; I784-A804 PolarHBondContact O-N 3.46Å; I785-A804 WeakPolarHBondContact CA-O 3.48Å; I785-A804 HydrophobicContact CG1-CB 4.49Å; T786-A804 PolarHBondContact N-O 3.03Å; K802-A804 PolarHBondContact O-N 2.98Å; A804-L1124 HydrophobicContact CB-CD1 4.07Å; A804-L1124 HydrophobicContact CB-CD2 4.18Å; A804-L1124 HydrophobicContact CB-CG 4.35Å; A804-M1128 HydrophobicContact CB-CE 3.3Å; A804-I1141 WeakPolarHBondContact CA-O 3.45Å
805	Y	97.8	Very high	96.8	Very high	13 Å²	13	19.5 Å²	19.5	5%	0.051	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.1	-172	-70.2	-13.9	0	0	0	112.6	T786 D787 A788 S791 P792 L793 L803 L1124 I1141 T1142 T1145	T786-Y805 HydrophobicContact CG2-CD1 3.83Å; T786-Y805 HydrophobicContact CG2-CE1 3.86Å; T786-Y805 CarbonylContact O-C 3.59Å; T786-Y805 WeakPolarHBondContact O-CA 3.4Å; D787-Y805 WeakPolarHBondContact O-CE1 3.37Å; A788-Y805 HydrophobicContact CB-CD2 3.95Å; A788-Y805 HydrophobicContact CB-CE2 3.73Å; S791-Y805 WeakPolarHBondContact O-CE1 3.39Å; S791-Y805 PolarHBondContact O-OH 2.99Å; P792-Y805 WeakPolarHBondContact CA-OH 3.29Å; L793-Y805 PolarHBondContact N-OH 3.36Å; L803-Y805 HydrophobicContact CB-CD1 4.35Å; L803-Y805 HydrophobicContact CB-CE1 3.91Å; L803-Y805 HydrophobicContact CD1-CE1 4.02Å; Y805-L1124 WeakPolarHBondContact O-CD1 3.23Å; Y805-I1141 PolarHBondContact N-O 3.39Å; Y805-T1142 HydrophobicContact CD1-CG2 4.15Å; Y805-T1142 VanDerWaalsContact CD2-CB 3.42Å; Y805-T1142 HydrophobicContact CD2-CG2 3.42Å; Y805-T1142 VanDerWaalsContact CD2-CG2 3.42Å; Y805-T1142 HydrophobicContact CE1-CG2 4.09Å; Y805-T1142 HydrophobicContact CE2-CG2 3.34Å; Y805-T1142 HydrophobicContact CG-CG2 3.85Å; Y805-T1145 WeakPolarHBondContact CD2-OG1 3.45Å
806	M	96.7	Very high	96.9	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.117	C	C	.	.			trans	-66	146	153.7	-66.5	-63	-69.9	0	0	109	I785 T786 H808 T809 F810 Y1117 D1120 M1121 L1124	I785-M806 HydrophobicContact CG2-CG 3.69Å; I785-M806 HydrophobicContact CG2-SD 4.19Å; T786-M806 PolarHBondContact O-N 3.48Å; M806-H808 PolarHBondContact O-N 2.96Å; M806-T809 WeakPolarHBondContact CB-O 3.27Å; M806-F810 HydrophobicContact CG-CB 4.47Å; M806-Y1117 HydrophobicContact CE-CD1 4.12Å; M806-Y1117 HydrophobicContact CE-CD2 3.96Å; M806-Y1117 HydrophobicContact CE-CE1 3.92Å; M806-Y1117 HydrophobicContact CE-CE2 3.81Å; M806-Y1117 HydrophobicContact CE-CG 4.12Å; M806-D1120 HydrophobicContact CE-CB 3.61Å; M806-M1121 HydrophobicContact CE-CB 4.01Å; M806-M1121 HydrophobicContact SD-CB 4.17Å; M806-L1124 HydrophobicContact CG-CD2 4.26Å; M806-L1124 HydrophobicContact SD-CD2 3.75Å
807	P	93.7	Very high	96.8	Very high	53 Å²	53	22.3 Å²	22.3	34%	0.344	12%	0.122	S	C	.	.	S	Bend	trans	-69.8	-15.4	-172.9	28.2	-35.7	0	0	0	114.2	D1120	P807-D1120 HydrophobicContact CG-CB 3.77Å; P807-D1120 VanDerWaalsContact CG-CG 3.42Å; P807-D1120 VanDerWaalsContact CG-OD2 3.28Å; P807-D1120 WeakPolarHBondContact CG-OD2 3.3Å
808	H	93.2	Very high	96.8	Very high	23 Å²	23	17.3 Å²	17.3	11%	0.106	10%	0.095	C	C	.	.	S	Bend	trans	-126.1	-71.7	-174.4	-55.2	-36.4	0	0	0	111.7	M806 P869 A1067 T1110 D1120	M806-H808 PolarHBondContact O-N 2.96Å; H808-P869 PolarHBondContact CE1-O 3.1Å; H808-P869 WeakPolarHBondContact NE2-CA 3.49Å; H808-P869 WeakPolarHBondContact NE2-CB 3.4Å; H808-A1067 HydrophobicContact CB-CB 4.43Å; H808-T1110 PolarHBondContact CD2-OG1 3.38Å; H808-D1120 IonicContact CD2-OD2 3.59Å; H808-D1120 IonicContact NE2-OD2 3.68Å
809	T	96.4	Very high	96.8	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.025	9%	0.091	C	C	.	.			trans	-144.3	151.6	173.5	179.3	0	0	0	0	108.4	D787 M806 F811 S1063 A1067 L1111	D787-T809 WeakPolarHBondContact OD2-CA 3.42Å; M806-T809 WeakPolarHBondContact CB-O 3.27Å; T809-F811 WeakPolarHBondContact CG2-O 3.27Å; T809-F811 PolarHBondContact OG1-N 3.05Å; T809-F811 VanDerWaalsContact OG1-N 3.12Å; T809-S1063 WeakPolarHBondContact CB-OG 3.41Å; T809-S1063 PolarHBondContact OG1-OG 3.4Å; T809-A1067 HydrophobicContact CG2-CB 3.48Å; T809-A1067 VanDerWaalsContact CG2-CB 3.48Å; T809-L1111 HydrophobicContact CG2-CD1 3.9Å
810	F	97.6	Very high	96.6	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.026	12%	0.115	C	C	.	.	S	Bend	trans	-77.4	-13.4	169	90.4	-72	0	0	0	113	I785 T786 D787 T790 M806 L1056 V1060 Y1117	I785-F810 HydrophobicContact CG2-CB 4.49Å; T786-F810 VanDerWaalsContact CA-CB 3.48Å; D787-F810 WeakPolarHBondContact OD2-CD1 3.4Å; D787-F810 PolarHBondContact OD2-N 3.22Å; T790-F810 HydrophobicContact CG2-CD1 4.01Å; T790-F810 HydrophobicContact CG2-CE1 3.65Å; T790-F810 HydrophobicContact CG2-CZ 4.48Å; M806-F810 HydrophobicContact CG-CB 4.47Å; F810-L1056 HydrophobicContact CE1-CD2 4.39Å; F810-L1056 HydrophobicContact CZ-CD2 3.93Å; F810-V1060 HydrophobicContact CE1-CG1 4.21Å; F810-V1060 HydrophobicContact CE1-CG2 4.17Å; F810-V1060 HydrophobicContact CZ-CG1 4.48Å; F810-V1060 HydrophobicContact CZ-CG2 4.22Å; F810-Y1117 PolarHBondContact O-OH 3.16Å
811	F	97.8	Very high	96.5	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.026	10%	0.097	C	C	.	.			trans	-89.7	145	-176.7	-138.2	-94.4	0	0	0	111.2	L680 L770 T809 H1035 M1039 V1060 Q1064	L680-F811 HydrophobicContact CD1-CE1 3.55Å; L680-F811 HydrophobicContact CD1-CE2 4.4Å; L680-F811 HydrophobicContact CD1-CZ 3.44Å; L680-F811 VanDerWaalsContact CD1-CZ 3.44Å; L680-F811 HydrophobicContact CD2-CE1 3.86Å; L680-F811 HydrophobicContact CG-CE1 4.34Å; L770-F811 HydrophobicContact CD1-CD2 4.04Å; L770-F811 HydrophobicContact CD1-CE2 3.97Å; L770-F811 HydrophobicContact CD1-CG 4.48Å; L770-F811 HydrophobicContact CD1-CZ 4.36Å; T809-F811 WeakPolarHBondContact CG2-O 3.27Å; T809-F811 PolarHBondContact OG1-N 3.05Å; T809-F811 VanDerWaalsContact OG1-N 3.12Å; F811-H1035 HydrophobicContact CE2-CB 3.91Å; F811-H1035 HydrophobicContact CZ-CB 3.63Å; F811-M1039 HydrophobicContact CD1-CE 4.47Å; F811-M1039 HydrophobicContact CD1-CG 3.52Å; F811-M1039 HydrophobicContact CD1-SD 3.78Å; F811-M1039 HydrophobicContact CE1-CG 3.59Å; F811-M1039 HydrophobicContact CE1-SD 4.45Å; F811-V1060 HydrophobicContact CB-CG1 4.38Å; F811-V1060 HydrophobicContact CD2-CG1 3.53Å; F811-V1060 HydrophobicContact CE2-CG1 3.93Å; F811-V1060 HydrophobicContact CG-CG1 3.92Å; F811-Q1064 HydrophobicContact CB-CG 4.35Å; F811-Q1064 VanDerWaalsContact CD1-NE2 3.32Å
812	I	98	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.			trans	-144.9	157.2	-178.4	-173.1	54.1	0	0	0	108.9	L680 I684 W769 L770 V1114 Y1117	L680-I812 WeakPolarHBondContact CB-O 3.22Å; L680-I812 VanDerWaalsContact CD2-O 3.22Å; L680-I812 WeakPolarHBondContact CD2-O 3.29Å; I684-I812 HydrophobicContact CD1-CG1 4.35Å; I684-I812 HydrophobicContact CD1-CG2 3.87Å; W769-I812 HydrophobicContact CZ2-CG2 4.5Å; L770-I812 HydrophobicContact CD2-CG2 4.46Å; I812-V1114 HydrophobicContact CD1-CG2 4.14Å; I812-V1114 HydrophobicContact CG1-CG2 4.25Å; I812-Y1117 HydrophobicContact CB-CD1 4.41Å; I812-Y1117 HydrophobicContact CB-CD2 3.73Å; I812-Y1117 HydrophobicContact CB-CE1 4.4Å; I812-Y1117 HydrophobicContact CB-CE2 3.68Å; I812-Y1117 HydrophobicContact CB-CG 4.1Å; I812-Y1117 HydrophobicContact CD1-CD2 3.91Å; I812-Y1117 HydrophobicContact CD1-CG 4Å; I812-Y1117 HydrophobicContact CG1-CD1 4.32Å; I812-Y1117 HydrophobicContact CG1-CD2 3.94Å; I812-Y1117 HydrophobicContact CG1-CE2 4.38Å; I812-Y1117 HydrophobicContact CG1-CG 3.89Å; I812-Y1117 HydrophobicContact CG2-CE1 4.21Å; I812-Y1117 HydrophobicContact CG2-CE2 4.17Å
813	G	96.3	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.			trans	-141.7	133.6	179.2	0	0	0	0	0	111.1	H815	G813-H815 WeakPolarHBondContact CA-ND1 3.47Å; G813-H815 PolarHBondContact O-N 3.09Å
814	D	97.4	Very high	95.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	12.5	179.3	-160.5	80	0	0	0	112.1	H679 L680 Q682 S683 A816 Q817 M818	H679-D814 WeakPolarHBondContact O-CB 3.46Å; H679-D814 PolarHBondContact O-N 3.39Å; L680-D814 PolarHBondContact O-N 2.93Å; Q682-D814 HydrophobicContact CG-CB 4.1Å; Q682-D814 WeakPolarHBondContact CG-OD2 3.44Å; Q682-D814 PolarHBondContact NE2-OD2 2.9Å; S683-D814 WeakPolarHBondContact CB-OD1 3.14Å; S683-D814 PolarHBondContact N-OD1 2.86Å; S683-D814 PolarHBondContact OG-OD1 3Å; D814-A816 VanDerWaalsContact C-N 3.26Å; D814-A816 PolarHBondContact O-N 3.22Å; D814-Q817 PolarHBondContact O-N 3.26Å; D814-Q817 PolarHBondContact O-OE1 3.44Å; D814-M818 VanDerWaalsContact O-CB 3.3Å; D814-M818 WeakPolarHBondContact O-CB 3.46Å; D814-M818 PolarHBondContact O-N 2.96Å
815	H	97.2	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-33.1	-170.4	-59.4	61.1	0	0	0	113.5	G813 Q817 L819 D1040 W1043 F1112	G813-H815 WeakPolarHBondContact CA-ND1 3.47Å; G813-H815 PolarHBondContact O-N 3.09Å; H815-Q817 VanDerWaalsContact C-N 3.25Å; H815-Q817 PolarHBondContact O-N 3.31Å; H815-L819 CarbonylContact O-C 3.56Å; H815-L819 WeakPolarHBondContact O-CA 3.3Å; H815-L819 WeakPolarHBondContact O-CB 3.27Å; H815-L819 PolarHBondContact O-N 3.33Å; H815-D1040 IonicContact CD2-OD1 3.23Å; H815-D1040 IonicContact CE1-OD1 3.42Å; H815-D1040 IonicContact NE2-OD1 3.42Å; H815-D1040 PolarHBondContact NE2-OD1 3.45Å; H815-W1043 HydrophobicContact CB-CB 4.13Å; H815-W1043 HydrophobicContact CB-CD2 3.52Å; H815-W1043 HydrophobicContact CB-CE3 4.01Å; H815-W1043 HydrophobicContact CB-CG 3.54Å; H815-W1043 AromaticContact CD2-CG 4Å; H815-F1112 HydrophobicContact CB-CD1 3.88Å; H815-F1112 HydrophobicContact CB-CE1 3.9Å; H815-F1112 AromaticContact CG-CE1 3.72Å; H815-F1112 AromaticContact ND1-CE1 3.74Å
816	A	95.6	Very high	95.6	Very high	30 Å²	30	22.9 Å²	22.9	25%	0.248	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-28.5	176.5	0	0	0	0	0	113.1	D814 W1043	D814-A816 VanDerWaalsContact C-N 3.26Å; D814-A816 PolarHBondContact O-N 3.22Å; A816-W1043 HydrophobicContact CB-CH2 3.65Å; A816-W1043 HydrophobicContact CB-CZ2 4.23Å; A816-W1043 HydrophobicContact CB-CZ3 4.2Å
817	Q	94.8	Very high	95.5	Very high	60 Å²	60	23 Å²	23	28%	0.28	12%	0.117	S	C	.	.	H	α-helix	trans	-92.6	-48.9	177.6	-62.4	72.4	23.4	0	0	110.5	M687 D814 H815	M687-Q817 HydrophobicContact CE-CG 4.04Å; D814-Q817 PolarHBondContact O-N 3.26Å; D814-Q817 PolarHBondContact O-OE1 3.44Å; H815-Q817 VanDerWaalsContact C-N 3.25Å; H815-Q817 PolarHBondContact O-N 3.31Å
818	M	94.9	Very high	95.5	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.039	10%	0.101	C	C	.	.	H	α-helix	trans	-72	-35	-174.1	-170.4	-179.9	67.5	0	0	113.7	H679 F708 D814 G925 K1013	H679-M818 HydrophobicContact CB-CE 4.33Å; H679-M818 HydrophobicContact CB-SD 4.25Å; F708-M818 HydrophobicContact CE1-SD 3.83Å; F708-M818 HydrophobicContact CZ-SD 4.32Å; D814-M818 VanDerWaalsContact O-CB 3.3Å; D814-M818 WeakPolarHBondContact O-CB 3.46Å; D814-M818 PolarHBondContact O-N 2.96Å; M818-G925 WeakPolarHBondContact CG-O 3.11Å; M818-K1013 HydrophobicContact CE-CG 4.22Å
819	L	96.4	Very high	95.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	42	-170.2	-58.2	174.3	0	0	0	111.7	H815 H821 L822 E1014 V1017 W1043	H815-L819 CarbonylContact O-C 3.56Å; H815-L819 WeakPolarHBondContact O-CA 3.3Å; H815-L819 WeakPolarHBondContact O-CB 3.27Å; H815-L819 PolarHBondContact O-N 3.33Å; L819-H821 PolarHBondContact O-N 3.42Å; L819-H821 VanDerWaalsContact O-N 3.17Å; L819-L822 HydrophobicContact CB-CD1 4.15Å; L819-L822 HydrophobicContact CB-CG 4.38Å; L819-L822 HydrophobicContact CD1-CD1 4.36Å; L819-L822 WeakPolarHBondContact O-CB 3.41Å; L819-L822 PolarHBondContact O-N 3.14Å; L819-E1014 HydrophobicContact CD2-CB 4.31Å; L819-E1014 HydrophobicContact CD2-CG 4.2Å; L819-V1017 HydrophobicContact CD1-CB 3.69Å; L819-V1017 HydrophobicContact CD1-CG1 3.63Å; L819-V1017 HydrophobicContact CD1-CG2 3.66Å; L819-W1043 PolarHBondContact O-NE1 3.14Å
820	R	94.6	Very high	95.1	Very high	156 Å²	156	22.5 Å²	22.5	59%	0.589	11%	0.11	S	C	*	.	G	3₁₀ helix	trans	-56.8	-27.7	-177.9	-174.1	179.2	173.8	-166.5	-3.2	114	L822 T823 I928	R820-L822 PolarHBondContact O-N 2.98Å; R820-T823 VanDerWaalsContact O-CB 3.26Å; R820-T823 WeakPolarHBondContact O-CB 3.43Å; R820-T823 PolarHBondContact O-N 3.48Å; R820-T823 PolarHBondContact O-OG1 3.17Å; R820-I928 HydrophobicContact CB-CD1 4.03Å
821	H	95.3	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66.5	-13.9	174.7	65.9	-62.8	0	0	0	113.7	L819 N843 T844 A845 I928 P929 E1014	L819-H821 PolarHBondContact O-N 3.42Å; L819-H821 VanDerWaalsContact O-N 3.17Å; H821-N843 WeakPolarHBondContact O-CB 3.45Å; H821-T844 PolarHBondContact O-N 3.03Å; H821-A845 HydrophobicContact CB-CB 4.22Å; H821-I928 HydrophobicContact CB-CG2 4.22Å; H821-P929 WeakPolarHBondContact ND1-CD 3.46Å; H821-E1014 IonicContact CD2-OE1 2.67Å; H821-E1014 IonicContact CE1-OE1 2.72Å; H821-E1014 IonicContact NE2-OE1 3.31Å; H821-E1014 PolarHBondContact NE2-OE1 3.17Å
822	L	96.2	Very high	93.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-96	4.2	172.5	-50.7	-177.6	0	0	0	112.7	L819 R820 D824 N843 V1017 R1018 R1106	L819-L822 HydrophobicContact CB-CD1 4.15Å; L819-L822 HydrophobicContact CB-CG 4.38Å; L819-L822 HydrophobicContact CD1-CD1 4.36Å; L819-L822 WeakPolarHBondContact O-CB 3.41Å; L819-L822 PolarHBondContact O-N 3.14Å; R820-L822 PolarHBondContact O-N 2.98Å; L822-D824 PolarHBondContact O-N 2.96Å; L822-N843 HydrophobicContact CD2-CB 3.83Å; L822-V1017 HydrophobicContact CD1-CB 4.32Å; L822-V1017 HydrophobicContact CD1-CG1 3.72Å; L822-R1018 HydrophobicContact CD1-CB 4.13Å; L822-R1018 HydrophobicContact CD2-CB 3.97Å; L822-R1018 HydrophobicContact CD2-CG 3.9Å; L822-R1106 PolarHBondContact O-NH1 3.35Å
823	T	93.2	Very high	92.5	Very high	39 Å²	39	39.5 Å²	39.5	24%	0.239	19%	0.191	C	C	.	.	S	Bend	trans	-62.4	-32.9	171.3	-58.7	0	0	0	0	110.8	R820 R1106 T1107	R820-T823 VanDerWaalsContact O-CB 3.26Å; R820-T823 WeakPolarHBondContact O-CB 3.43Å; R820-T823 PolarHBondContact O-N 3.48Å; R820-T823 PolarHBondContact O-OG1 3.17Å; T823-R1106 PolarHBondContact O-NH2 3.14Å; T823-T1107 HydrophobicContact CG2-CG2 4.5Å
824	D	91.5	Very high	91.5	Very high	86 Å²	86	46.4 Å²	46.4	46%	0.46	23%	0.233	S	C	.	.	S	Bend	trans	-125.2	158.7	177	-63.4	-68.6	0	0	0	111.3	L822 N843 M847	L822-D824 PolarHBondContact O-N 2.96Å; D824-N843 PolarHBondContact O-ND2 3.23Å; D824-M847 VanDerWaalsContact C-CE 3.49Å; D824-M847 HydrophobicContact CB-CE 3.63Å; D824-M847 HydrophobicContact CB-CG 3.8Å; D824-M847 HydrophobicContact CB-SD 4.44Å; D824-M847 WeakPolarHBondContact O-CE 3.34Å
825	K	94.6	Very high	90.6	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.022	24%	0.244	C	C	.	.			trans	-142.2	147.3	173.7	73.3	175	-179.3	165.1	0	111.4	D837 I841 L880 P881 W1103	K825-D837 PolarHBondContact NZ-O 2.93Å; K825-D837 IonicContact NZ-OD2 4Å; K825-D837 PolarHBondContact NZ-OD2 3.2Å; K825-I841 HydrophobicContact CB-CG2 3.83Å; K825-I841 HydrophobicContact CD-CD1 4.48Å; K825-I841 HydrophobicContact CD-CG2 4.37Å; K825-L880 HydrophobicContact CD-CD1 4.38Å; K825-L880 HydrophobicContact CG-CD1 3.96Å; K825-P881 WeakPolarHBondContact O-CG 3.49Å; K825-W1103 HydrophobicContact CB-CH2 3.73Å; K825-W1103 HydrophobicContact CB-CZ2 4.22Å; K825-W1103 HydrophobicContact CB-CZ3 4.5Å; K825-W1103 HydrophobicContact CD-CE3 4.32Å; K825-W1103 HydrophobicContact CD-CH2 3.71Å; K825-W1103 HydrophobicContact CD-CZ2 4.28Å; K825-W1103 HydrophobicContact CD-CZ3 3.71Å; K825-W1103 HydrophobicContact CG-CH2 3.51Å; K825-W1103 HydrophobicContact CG-CZ2 3.76Å; K825-W1103 HydrophobicContact CG-CZ3 4.07Å
826	V	95.2	Very high	90	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.4	167.5	-178.2	0	0	0	0	108.6	I841 M842 M847 I850 I856 P881 L883	V826-I841 CarbonylContact O-C 3.53Å; V826-I841 WeakPolarHBondContact O-CA 3.43Å; V826-M842 HydrophobicContact CB-CB 4.4Å; V826-M842 PolarHBondContact N-O 2.99Å; V826-M842 PolarHBondContact O-N 3.31Å; V826-M847 HydrophobicContact CG2-CE 4.37Å; V826-M847 HydrophobicContact CG2-SD 3.83Å; V826-I850 HydrophobicContact CG1-CG2 4.38Å; V826-I850 HydrophobicContact CG2-CG2 3.94Å; V826-I856 HydrophobicContact CG1-CD1 3.97Å; V826-P881 WeakPolarHBondContact CA-O 3.43Å; V826-P881 HydrophobicContact CB-CG 4.45Å; V826-P881 HydrophobicContact CG2-CB 4.33Å; V826-P881 HydrophobicContact CG2-CG 3.88Å; V826-L883 HydrophobicContact CG1-CB 3.87Å
827	V	94.6	Very high	89.6	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.1	171.1	173.4	0	0	0	0	108.6	D837 L880 P881 V882 L883	V827-D837 HydrophobicContact CG2-CB 4.04Å; V827-L880 HydrophobicContact CG2-CD1 4.05Å; V827-L880 HydrophobicContact CG2-CD2 4.08Å; V827-L880 HydrophobicContact CG2-CG 4.3Å; V827-P881 PolarHBondContact N-O 3.25Å; V827-V882 HydrophobicContact CB-CG2 4.36Å; V827-V882 HydrophobicContact CG1-CG1 4.45Å; V827-V882 CarbonylContact O-C 3.59Å; V827-V882 VanDerWaalsContact O-CA 3.31Å; V827-V882 WeakPolarHBondContact O-CA 3.26Å; V827-L883 PolarHBondContact O-N 2.94Å
828	V	93.9	Very high	89.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.8	178.2	-165.4	0	0	0	0	108.1	L840 M842 L883 V885 I890	V828-L840 HydrophobicContact CB-CD2 3.76Å; V828-L840 HydrophobicContact CB-CG 3.87Å; V828-L840 HydrophobicContact CG1-CD2 4.1Å; V828-L840 HydrophobicContact CG2-CG 4.36Å; V828-L840 PolarHBondContact N-O 3.35Å; V828-M842 HydrophobicContact CG1-CE 4.29Å; V828-M842 HydrophobicContact CG2-CE 3.55Å; V828-M842 HydrophobicContact CG2-CG 3.63Å; V828-M842 HydrophobicContact CG2-SD 4.02Å; V828-L883 HydrophobicContact CG1-CB 4.43Å; V828-L883 HydrophobicContact CG1-CD2 4.29Å; V828-L883 HydrophobicContact CG1-CG 4.49Å; V828-V885 HydrophobicContact CG1-CG2 3.48Å; V828-V885 VanDerWaalsContact CG1-CG2 3.48Å; V828-I890 HydrophobicContact CG1-CD1 3.97Å
829	K	92.2	Very high	89.4	Confident	23 Å²	23	49.5 Å²	49.5	10%	0.1	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159.1	-179	70.8	-179.3	-164.3	174.7	0	112.4	T833 V882 L883 E884 V885	K829-T833 PolarHBondContact NZ-O 3.33Å; K829-T833 VanDerWaalsContact NZ-O 3.13Å; K829-V882 HydrophobicContact CD-CG1 3.87Å; K829-V882 HydrophobicContact CG-CG1 3.85Å; K829-L883 PolarHBondContact N-O 2.97Å; K829-L883 VanDerWaalsContact N-O 3.14Å; K829-E884 WeakPolarHBondContact O-CA 3.44Å; K829-V885 CarbonylContact C-O 3.59Å; K829-V885 PolarHBondContact O-N 2.86Å
830	D	90.1	Very high	89.3	Confident	44 Å²	44	49.9 Å²	49.9	24%	0.235	24%	0.243	C	C	.	.			trans	-68	150.2	171.1	-71.5	-66.4	0	0	0	110.6	E832 T833 P886 T887 K891	D830-E832 PolarHBondContact O-N 3.45Å; D830-T833 HydrophobicContact CB-CG2 3.61Å; D830-T833 WeakPolarHBondContact O-CB 3.36Å; D830-T833 PolarHBondContact O-N 3.32Å; D830-T833 PolarHBondContact O-OG1 3.09Å; D830-P886 VanDerWaalsContact OD1-CA 3.23Å; D830-P886 WeakPolarHBondContact OD1-CA 3.45Å; D830-T887 HydrophobicContact CB-CG2 4.47Å; D830-T887 PolarHBondContact OD1-N 3Å; D830-T887 WeakPolarHBondContact OD2-CB 3.33Å; D830-T887 WeakPolarHBondContact OD2-CG2 3.45Å; D830-T887 PolarHBondContact OD2-OG1 3.35Å; D830-K891 IonicContact OD2-NZ 2.84Å
831	K	84	Confident	89.4	Confident	134 Å²	134	42.4 Å²	42.4	58%	0.583	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	140.3	176.7	-73.3	-176.6	175.2	177.2	0	111	T833 E884	K831-T833 PolarHBondContact O-N 2.98Å; K831-T833 VanDerWaalsContact O-N 3.12Å; K831-E884 WeakPolarHBondContact CE-O 3.39Å; K831-E884 HydrophobicContact CG-CB 3.86Å; K831-E884 HydrophobicContact CG-CG 4.4Å
832	E	75.6	Confident	89.4	Confident	195 Å²	195	42.4 Å²	42.4	91%	0.911	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	9.7	178.4	-54.4	179.6	175	0	0	115.4	D830	D830-E832 PolarHBondContact O-N 3.45Å
833	T	79.8	Confident	89.4	Confident	40 Å²	40	42.4 Å²	42.4	25%	0.245	21%	0.214	C	C	.	.			trans	-81.6	147.7	175.6	61	0	0	0	0	114.3	K829 D830 K831 E835	K829-T833 PolarHBondContact NZ-O 3.33Å; K829-T833 VanDerWaalsContact NZ-O 3.13Å; D830-T833 HydrophobicContact CB-CG2 3.61Å; D830-T833 WeakPolarHBondContact O-CB 3.36Å; D830-T833 PolarHBondContact O-N 3.32Å; D830-T833 PolarHBondContact O-OG1 3.09Å; K831-T833 PolarHBondContact O-N 2.98Å; K831-T833 VanDerWaalsContact O-N 3.12Å; T833-E835 VanDerWaalsContact C-N 3.35Å
834	T	75	Confident	89.5	Confident	146 Å²	146	41 Å²	41	90%	0.896	21%	0.206	S	C	*	.			trans	-95.7	21.8	172.1	53.7	0	0	0	0	112.6
835	E	78.3	Confident	89.5	Confident	49 Å²	49	39 Å²	39	23%	0.229	20%	0.201	C	C	.	.			trans	-57.7	145.3	172.4	-70.7	-177.3	166.9	0	0	110.6	T833 K891	T833-E835 VanDerWaalsContact C-N 3.35Å; E835-K891 IonicContact OE1-NZ 2.94Å; E835-K891 PolarHBondContact OE1-NZ 3.48Å
836	R	84.4	Confident	89.4	Confident	73 Å²	73	42.6 Å²	42.6	28%	0.275	22%	0.221	S	C	.	.			trans	-74.2	157.7	-175.5	-62.5	171.9	169.2	-91.9	-11.1	111.7	S838 C839 D1024	R836-S838 WeakPolarHBondContact CB-OG 3.3Å; R836-S838 PolarHBondContact O-N 3.05Å; R836-C839 PolarHBondContact O-N 3.42Å; R836-C839 VanDerWaalsContact O-N 3.16Å; R836-D1024 IonicContact CZ-OD1 3.17Å; R836-D1024 IonicContact NE-OD1 2.69Å; R836-D1024 IonicContact NH1-OD1 2.69Å; R836-D1024 PolarHBondContact NH1-OD1 2.73Å
837	D	86.6	Confident	89.1	Confident	38 Å²	38	43.4 Å²	43.4	20%	0.203	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	1.8	173.8	86.6	-55.5	0	0	0	114.7	K825 V827 L880 R1099	K825-D837 PolarHBondContact NZ-O 2.93Å; K825-D837 IonicContact NZ-OD2 4Å; K825-D837 PolarHBondContact NZ-OD2 3.2Å; V827-D837 HydrophobicContact CG2-CB 4.04Å; D837-L880 HydrophobicContact CB-CD2 4.01Å; D837-R1099 VanDerWaalsContact CG-NH2 3.31Å; D837-R1099 IonicContact OD1-CZ 3.39Å; D837-R1099 IonicContact OD1-NE 2.7Å; D837-R1099 PolarHBondContact OD1-NE 3.11Å; D837-R1099 IonicContact OD1-NH2 2.84Å; D837-R1099 PolarHBondContact OD1-NH2 3.23Å; D837-R1099 IonicContact OD2-CZ 2.73Å; D837-R1099 IonicContact OD2-NE 3.65Å; D837-R1099 PolarHBondContact OD2-NE 3.04Å; D837-R1099 IonicContact OD2-NH2 3.92Å; D837-R1099 PolarHBondContact OD2-NH2 3.38Å
838	S	91.8	Very high	88.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	5.7	-174.9	58.7	0	0	0	0	113.3	R836 R937 L1022	R836-S838 WeakPolarHBondContact CB-OG 3.3Å; R836-S838 PolarHBondContact O-N 3.05Å; S838-R937 PolarHBondContact O-NE 2.99Å; S838-R937 VanDerWaalsContact O-NE 3.1Å; S838-R937 PolarHBondContact OG-NH2 3.12Å; S838-L1022 VanDerWaalsContact O-CA 3.31Å; S838-L1022 WeakPolarHBondContact O-CA 3.31Å; S838-L1022 WeakPolarHBondContact O-CD2 3.33Å
839	C	94.1	Very high	88.6	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.02	28%	0.277	C	S	.	.	S	Bend	trans	-85	-50	-179.6	-64.9	0	0	0	0	113.3	R836 S936 R937 D944	R836-C839 PolarHBondContact O-N 3.42Å; R836-C839 VanDerWaalsContact O-N 3.16Å; C839-S936 CarbonylContact O-C 3.57Å; C839-S936 VanDerWaalsContact O-CA 3.25Å; C839-S936 WeakPolarHBondContact O-CA 3.36Å; C839-R937 PolarHBondContact O-N 3.46Å; C839-D944 HydrophobicContact CB-CB 4.5Å; C839-D944 WeakPolarHBondContact CB-OD1 3.48Å
840	L	95.1	Very high	88.5	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	121.6	-176.8	175.8	64.8	0	0	0	110.4	V828 T887 I890 L934	V828-L840 HydrophobicContact CB-CD2 3.76Å; V828-L840 HydrophobicContact CB-CG 3.87Å; V828-L840 HydrophobicContact CG1-CD2 4.1Å; V828-L840 HydrophobicContact CG2-CG 4.36Å; V828-L840 PolarHBondContact N-O 3.35Å; L840-T887 HydrophobicContact CD2-CG2 4.11Å; L840-I890 HydrophobicContact CD1-CG2 3.94Å; L840-I890 HydrophobicContact CD2-CD1 4.2Å; L840-I890 HydrophobicContact CD2-CG2 3.99Å; L840-L934 HydrophobicContact CD1-CD1 4.3Å; L840-L934 HydrophobicContact CD1-CD2 3.65Å; L840-L934 HydrophobicContact CD1-CG 3.9Å
841	I	95.7	Very high	88.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.5	-167.7	-56.9	176.5	0	0	0	110.4	K825 V826 T935 Q1021 L1022	K825-I841 HydrophobicContact CB-CG2 3.83Å; K825-I841 HydrophobicContact CD-CD1 4.48Å; K825-I841 HydrophobicContact CD-CG2 4.37Å; V826-I841 CarbonylContact O-C 3.53Å; V826-I841 WeakPolarHBondContact O-CA 3.43Å; I841-T935 PolarHBondContact N-O 3.39Å; I841-T935 PolarHBondContact O-N 3.02Å; I841-Q1021 HydrophobicContact CD1-CB 3.51Å; I841-L1022 HydrophobicContact CD1-CD2 4.37Å
842	M	95.5	Very high	88.8	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.2	165.2	-62	-175.5	-169.3	0	0	111.7	V826 V828 L883 V903 M907 V909 V932 L933 L934	V826-M842 HydrophobicContact CB-CB 4.4Å; V826-M842 PolarHBondContact N-O 2.99Å; V826-M842 PolarHBondContact O-N 3.31Å; V828-M842 HydrophobicContact CG1-CE 4.29Å; V828-M842 HydrophobicContact CG2-CE 3.55Å; V828-M842 HydrophobicContact CG2-CG 3.63Å; V828-M842 HydrophobicContact CG2-SD 4.02Å; M842-L883 HydrophobicContact CE-CD2 3.92Å; M842-L883 HydrophobicContact SD-CD2 4.44Å; M842-V903 HydrophobicContact CE-CB 4.3Å; M842-V903 HydrophobicContact CE-CG1 4.08Å; M842-V903 HydrophobicContact CE-CG2 3.91Å; M842-M907 HydrophobicContact CE-CE 3.88Å; M842-M907 HydrophobicContact SD-CE 3.27Å; M842-M907 WeakPolarHBondContact SD-CE 3.3Å; M842-V909 HydrophobicContact CE-CG1 3.88Å; M842-V909 HydrophobicContact SD-CG1 3.95Å; M842-V932 HydrophobicContact CB-CG1 4Å; M842-V932 HydrophobicContact CG-CG1 4.29Å; M842-V932 HydrophobicContact SD-CG1 3.94Å; M842-L933 WeakPolarHBondContact CA-O 3.45Å; M842-L934 HydrophobicContact CE-CD1 4.23Å
843	N	96.1	Very high	89.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.9	174.7	-62	107	0	0	0	110.4	H821 L822 D824 L933 Q1021	H821-N843 WeakPolarHBondContact O-CB 3.45Å; L822-N843 HydrophobicContact CD2-CB 3.83Å; D824-N843 PolarHBondContact O-ND2 3.23Å; N843-L933 PolarHBondContact N-O 3.23Å; N843-L933 PolarHBondContact O-N 3.11Å; N843-Q1021 PolarHBondContact ND2-OE1 3.2Å; N843-Q1021 PolarHBondContact OD1-NE2 3.44Å
844	T	94.6	Very high	89.8	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.067	28%	0.28	C	S	.	.			trans	-161	150.7	178.9	168	0	0	0	0	109.3	H821 N846 M847 I850 V932	H821-T844 PolarHBondContact O-N 3.03Å; T844-N846 WeakPolarHBondContact CG2-O 3.35Å; T844-N846 PolarHBondContact O-N 2.91Å; T844-N846 PolarHBondContact OG1-N 3.4Å; T844-N846 VanDerWaalsContact OG1-N 3.1Å; T844-N846 PolarHBondContact OG1-O 3.44Å; T844-M847 HydrophobicContact CG2-CE 3.74Å; T844-M847 HydrophobicContact CG2-CG 4.1Å; T844-M847 HydrophobicContact CG2-SD 3.36Å; T844-M847 WeakPolarHBondContact CG2-SD 3.5Å; T844-I850 HydrophobicContact CG2-CD1 3.59Å; T844-V932 HydrophobicContact CG2-CG2 4.46Å
845	A	92.5	Very high	90.5	Very high	42 Å²	42	43.3 Å²	43.3	35%	0.347	25%	0.25	S	S	.	.	S	Bend	trans	-73.2	-14.6	173.3	0	0	0	0	0	113.6	H821 I928	H821-A845 HydrophobicContact CB-CB 4.22Å; A845-I928 HydrophobicContact CB-CG2 3.78Å
846	N	91.6	Very high	91.1	Very high	82 Å²	82	42.3 Å²	42.3	44%	0.439	25%	0.246	S	C	.	.			trans	-130.7	108.9	174.3	-179.4	4.5	0	0	0	109.6	T844 D848 P849	T844-N846 WeakPolarHBondContact CG2-O 3.35Å; T844-N846 PolarHBondContact O-N 2.91Å; T844-N846 PolarHBondContact OG1-N 3.4Å; T844-N846 VanDerWaalsContact OG1-N 3.1Å; T844-N846 PolarHBondContact OG1-O 3.44Å; N846-D848 PolarHBondContact OD1-N 3.32Å; N846-D848 VanDerWaalsContact OD1-N 3.16Å; N846-P849 WeakPolarHBondContact OD1-CD 3.45Å
847	M	89.8	Confident	91.4	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.079	26%	0.256	C	S	.	.			trans	-87.7	-20.6	-178.4	-75.5	-66.3	179.6	0	0	113.8	D824 V826 T844 P849 I850 L851	D824-M847 VanDerWaalsContact C-CE 3.49Å; D824-M847 HydrophobicContact CB-CE 3.63Å; D824-M847 HydrophobicContact CB-CG 3.8Å; D824-M847 HydrophobicContact CB-SD 4.44Å; D824-M847 WeakPolarHBondContact O-CE 3.34Å; V826-M847 HydrophobicContact CG2-CE 4.37Å; V826-M847 HydrophobicContact CG2-SD 3.83Å; T844-M847 HydrophobicContact CG2-CE 3.74Å; T844-M847 HydrophobicContact CG2-CG 4.1Å; T844-M847 HydrophobicContact CG2-SD 3.36Å; T844-M847 WeakPolarHBondContact CG2-SD 3.5Å; M847-P849 VanDerWaalsContact C-CD 3.41Å; M847-P849 VanDerWaalsContact C-N 3.35Å; M847-P849 VanDerWaalsContact O-N 3.17Å; M847-I850 WeakPolarHBondContact O-CA 3.27Å; M847-I850 WeakPolarHBondContact O-CB 3.28Å; M847-I850 PolarHBondContact O-N 3.15Å; M847-I850 HydrophobicContact SD-CD1 4.3Å; M847-L851 HydrophobicContact CB-CD1 3.84Å; M847-L851 HydrophobicContact CB-CG 4.11Å; M847-L851 PolarHBondContact O-N 3.03Å
848	D	90.7	Very high	91.6	Very high	119 Å²	119	48.9 Å²	48.9	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-50.8	-43.4	-172.4	-53.6	-18.1	0	0	0	113.9	N846 I850 A852	N846-D848 PolarHBondContact OD1-N 3.32Å; N846-D848 VanDerWaalsContact OD1-N 3.16Å; D848-I850 PolarHBondContact O-N 3.01Å; D848-A852 WeakPolarHBondContact O-CB 3.49Å; D848-A852 PolarHBondContact O-N 3.32Å; D848-A852 VanDerWaalsContact O-N 3.12Å
849	P	88.2	Confident	91.5	Very high	77 Å²	77	53.1 Å²	53.1	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-21.6	179.7	-19.1	33.6	0	0	0	114.2	N846 M847	N846-P849 WeakPolarHBondContact OD1-CD 3.45Å; M847-P849 VanDerWaalsContact C-CD 3.41Å; M847-P849 VanDerWaalsContact C-N 3.35Å; M847-P849 VanDerWaalsContact O-N 3.17Å
850	I	89.4	Confident	91.3	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-87.1	-48.1	178.4	-51.5	-174.2	0	0	0	109.5	V826 T844 M847 D848 A852 K853 I856 M907 V932	V826-I850 HydrophobicContact CG1-CG2 4.38Å; V826-I850 HydrophobicContact CG2-CG2 3.94Å; T844-I850 HydrophobicContact CG2-CD1 3.59Å; M847-I850 WeakPolarHBondContact O-CA 3.27Å; M847-I850 WeakPolarHBondContact O-CB 3.28Å; M847-I850 PolarHBondContact O-N 3.15Å; M847-I850 HydrophobicContact SD-CD1 4.3Å; D848-I850 PolarHBondContact O-N 3.01Å; I850-A852 PolarHBondContact O-N 3.49Å; I850-K853 WeakPolarHBondContact O-CB 3.48Å; I850-K853 WeakPolarHBondContact O-CG 3.24Å; I850-K853 PolarHBondContact O-N 3.04Å; I850-K853 VanDerWaalsContact O-N 3.08Å; I850-I856 HydrophobicContact CG2-CD1 4.12Å; I850-I856 WeakPolarHBondContact O-CG1 3.44Å; I850-M907 HydrophobicContact CB-CE 4.36Å; I850-M907 HydrophobicContact CD1-CE 3.87Å; I850-M907 HydrophobicContact CG1-CE 3.88Å; I850-M907 HydrophobicContact CG2-CE 3.76Å; I850-V932 HydrophobicContact CD1-CG1 3.76Å; I850-V932 HydrophobicContact CD1-CG2 4Å
851	L	90.2	Very high	91	Very high	82 Å²	82	59 Å²	59	43%	0.429	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-24	-179.4	-61.9	178.6	0	0	0	112.9	M847 K853 P881	M847-L851 HydrophobicContact CB-CD1 3.84Å; M847-L851 HydrophobicContact CB-CG 4.11Å; M847-L851 PolarHBondContact O-N 3.03Å; L851-K853 VanDerWaalsContact C-N 3.26Å; L851-K853 PolarHBondContact O-N 3.26Å; L851-P881 HydrophobicContact CD2-CB 3.58Å; L851-P881 HydrophobicContact CD2-CG 3.83Å
852	A	90.6	Very high	90.8	Very high	84 Å²	84	64.4 Å²	64.4	69%	0.694	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.6	174.1	0	0	0	0	0	115	D848 I850	D848-A852 WeakPolarHBondContact O-CB 3.49Å; D848-A852 PolarHBondContact O-N 3.32Å; D848-A852 VanDerWaalsContact O-N 3.12Å; I850-A852 PolarHBondContact O-N 3.49Å
853	K	89.2	Confident	90.6	Very high	47 Å²	47	65.3 Å²	65.3	20%	0.204	37%	0.365	C	S	.	.	S	Bend	trans	-80.1	135.4	179.5	-59.3	-70	-177	173.8	0	110.7	I850 L851 E855 I856 M904 E905	I850-K853 WeakPolarHBondContact O-CB 3.48Å; I850-K853 WeakPolarHBondContact O-CG 3.24Å; I850-K853 PolarHBondContact O-N 3.04Å; I850-K853 VanDerWaalsContact O-N 3.08Å; L851-K853 VanDerWaalsContact C-N 3.26Å; L851-K853 PolarHBondContact O-N 3.26Å; K853-E855 PolarHBondContact O-N 3.38Å; K853-E855 VanDerWaalsContact O-N 3.1Å; K853-I856 HydrophobicContact CB-CG1 4.32Å; K853-I856 WeakPolarHBondContact O-CB 3.33Å; K853-I856 WeakPolarHBondContact O-CG1 3.38Å; K853-I856 PolarHBondContact O-N 2.99Å; K853-I856 VanDerWaalsContact O-N 3.14Å; K853-M904 HydrophobicContact CD-CE 4.35Å; K853-M904 HydrophobicContact CD-SD 4.41Å; K853-M904 HydrophobicContact CG-SD 4.46Å; K853-E905 PolarHBondContact NZ-O 3.08Å
854	S	86	Confident	90.4	Very high	112 Å²	112	69.6 Å²	69.6	78%	0.783	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.8	179.6	37.8	0	0	0	0	115.2	I856	S854-I856 VanDerWaalsContact C-N 3.32Å
855	E	89.9	Confident	90.4	Very high	61 Å²	61	69.3 Å²	69.3	29%	0.285	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.9	-178.7	-69.4	79.3	170.8	0	0	112.8	K853 L883 E884 V885 M904	K853-E855 PolarHBondContact O-N 3.38Å; K853-E855 VanDerWaalsContact O-N 3.1Å; E855-L883 HydrophobicContact CB-CD1 3.73Å; E855-E884 PolarHBondContact O-N 3.46Å; E855-V885 HydrophobicContact CB-CG1 4.43Å; E855-M904 HydrophobicContact CG-CE 3.94Å; E855-M904 VanDerWaalsContact OE1-CE 3.28Å; E855-M904 WeakPolarHBondContact OE1-CE 3.44Å; E855-M904 WeakPolarHBondContact OE2-CE 3.3Å
856	I	91.3	Very high	90.3	Very high	28 Å²	28	68 Å²	68	14%	0.144	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.6	171.2	-61.1	-68.7	0	0	0	109.5	V826 I850 K853 S854 P881 V882 L883	V826-I856 HydrophobicContact CG1-CD1 3.97Å; I850-I856 HydrophobicContact CG2-CD1 4.12Å; I850-I856 WeakPolarHBondContact O-CG1 3.44Å; K853-I856 HydrophobicContact CB-CG1 4.32Å; K853-I856 WeakPolarHBondContact O-CB 3.33Å; K853-I856 WeakPolarHBondContact O-CG1 3.38Å; K853-I856 PolarHBondContact O-N 2.99Å; K853-I856 VanDerWaalsContact O-N 3.14Å; S854-I856 VanDerWaalsContact C-N 3.32Å; I856-P881 HydrophobicContact CG2-CB 3.86Å; I856-V882 WeakPolarHBondContact CA-O 3.16Å; I856-L883 HydrophobicContact CD1-CB 3.81Å; I856-L883 HydrophobicContact CD1-CD1 3.86Å; I856-L883 HydrophobicContact CD1-CG 4.4Å; I856-L883 HydrophobicContact CG1-CD1 4.41Å
857	K	91.4	Very high	90.3	Very high	111 Å²	111	66.1 Å²	66.1	48%	0.483	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.1	161.9	-65	-173.2	-171.9	161.9	0	109.6	V882 E884	K857-V882 PolarHBondContact N-O 3.41Å; K857-V882 PolarHBondContact O-N 3.27Å; K857-E884 WeakPolarHBondContact CD-OE1 3.47Å; K857-E884 VanDerWaalsContact CE-CD 3.41Å; K857-E884 WeakPolarHBondContact CE-OE1 3.33Å; K857-E884 WeakPolarHBondContact CE-OE2 3.2Å; K857-E884 IonicContact NZ-OE1 3.57Å; K857-E884 PolarHBondContact NZ-OE1 3.03Å; K857-E884 IonicContact NZ-OE2 3.9Å; K857-E884 PolarHBondContact NZ-OE2 2.89Å
858	E	90.6	Very high	90.3	Very high	139 Å²	139	66.5 Å²	66.5	65%	0.65	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.3	173.9	-68	177.5	168.2	0	0	110.1	V879	E858-V879 HydrophobicContact CB-CG1 3.94Å; E858-V879 HydrophobicContact CG-CG1 3.75Å
859	Q	88.5	Confident	90.2	Very high	89 Å²	89	63.2 Å²	63.2	42%	0.416	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.3	164.4	-67.7	-170.8	-33.2	0	0	108	L880 V882	Q859-L880 HydrophobicContact CB-CB 4.32Å; Q859-L880 PolarHBondContact N-O 3.44Å; Q859-L880 PolarHBondContact O-N 3.46Å; Q859-V882 HydrophobicContact CB-CG2 4.4Å; Q859-V882 HydrophobicContact CG-CG2 3.79Å
860	V	90.8	Very high	90.3	Very high	77 Å²	77	65.5 Å²	65.5	47%	0.467	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.2	179	-173.6	0	0	0	0	109.4	E877 M878 V879	V860-E877 HydrophobicContact CG1-CB 4.12Å; V860-E877 HydrophobicContact CG1-CG 4.48Å; V860-M878 WeakPolarHBondContact CA-O 3.46Å; V860-V879 HydrophobicContact CG2-CG2 4.45Å
861	L	89.3	Confident	90.2	Very high	57 Å²	57	69.2 Å²	69.2	30%	0.298	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.3	173.1	-69.5	172.5	0	0	0	109.8	M878 A1100	L861-M878 HydrophobicContact CB-CB 4.41Å; L861-M878 PolarHBondContact N-O 3.39Å; L861-M878 PolarHBondContact O-N 2.87Å; L861-A1100 HydrophobicContact CB-CB 4.12Å; L861-A1100 HydrophobicContact CD1-CB 4.14Å
862	D	90	Very high	90.2	Very high	115 Å²	115	70.7 Å²	70.7	62%	0.615	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.3	173.3	-65.4	-26.6	0	0	0	110.4
863	T	91.7	Very high	90.2	Very high	18 Å²	18	72.3 Å²	72.3	11%	0.11	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.4	174.7	-165.3	0	0	0	0	111.9	V865 R875 A876 A1100 K1101 M1104	T863-V865 HydrophobicContact CG2-CG1 4.06Å; T863-R875 WeakPolarHBondContact O-CA 3.43Å; T863-A876 HydrophobicContact CG2-CB 4.29Å; T863-A876 PolarHBondContact N-O 3.22Å; T863-A876 PolarHBondContact O-N 2.87Å; T863-A1100 HydrophobicContact CG2-CB 4.47Å; T863-K1101 WeakPolarHBondContact OG1-CB 3.36Å; T863-M1104 HydrophobicContact CG2-CG 4.33Å
864	E	92.2	Very high	90.4	Very high	91 Å²	91	73 Å²	73	43%	0.425	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.8	175	-71.3	-176.6	153.9	0	0	109	L873 R875 K1101	E864-L873 HydrophobicContact CB-CD2 4.3Å; E864-L873 HydrophobicContact CB-CG 4.49Å; E864-R875 HydrophobicContact CG-CG 3.84Å; E864-R875 IonicContact OE1-CZ 3.95Å; E864-R875 IonicContact OE1-NE 3.16Å; E864-R875 PolarHBondContact OE1-NE 3.48Å; E864-R875 VanDerWaalsContact OE1-NE 3.16Å; E864-R875 IonicContact OE1-NH2 3.81Å; E864-K1101 VanDerWaalsContact O-CE 3.24Å; E864-K1101 WeakPolarHBondContact O-CE 3.48Å
865	V	93.6	Very high	90.6	Very high	4 Å²	4	77.5 Å²	77.5	2%	0.024	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	158.5	-177	-66.3	0	0	0	0	111.9	T863 L873 V874 A876 K1101 M1104 A1105	T863-V865 HydrophobicContact CG2-CG1 4.06Å; V865-L873 WeakPolarHBondContact O-CA 3.49Å; V865-V874 PolarHBondContact N-O 3.43Å; V865-V874 PolarHBondContact O-N 2.9Å; V865-A876 HydrophobicContact CG2-CB 3.78Å; V865-K1101 HydrophobicContact CG1-CG 4.1Å; V865-M1104 HydrophobicContact CG1-CB 3.72Å; V865-A1105 HydrophobicContact CG1-CB 4.35Å
866	V	90.3	Very high	90.6	Very high	15 Å²	15	75.3 Å²	75.3	9%	0.091	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.1	171.3	175.6	0	0	0	0	108.6	K871 L873	V866-K871 VanDerWaalsContact CG1-CA 3.42Å; V866-K871 HydrophobicContact CG1-CB 3.49Å; V866-K871 VanDerWaalsContact CG1-CB 3.49Å; V866-K871 HydrophobicContact CG1-CD 4.36Å; V866-K871 HydrophobicContact CG1-CG 3.79Å; V866-L873 HydrophobicContact CG2-CD1 4.06Å
867	S	91.8	Very high	90.5	Very high	42 Å²	42	80.6 Å²	80.6	29%	0.294	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.1	-178.7	-166.8	0	0	0	0	112.3	E872 S1108	S867-E872 PolarHBondContact N-O 2.99Å; S867-E872 PolarHBondContact O-N 3.23Å; S867-S1108 CarbonylContact C-O 3.33Å; S867-S1108 WeakPolarHBondContact CA-O 3.38Å
868	G	90.3	Very high	90.4	Very high	24 Å²	24	75.6 Å²	75.6	25%	0.247	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	178.3	174.3	0	0	0	0	0	115.9	N870 K871 S1108	G868-N870 VanDerWaalsContact C-N 3.29Å; G868-N870 PolarHBondContact O-N 3.21Å; G868-K871 PolarHBondContact O-N 3.49Å; G868-K871 VanDerWaalsContact O-N 3.13Å; G868-S1108 PolarHBondContact N-O 3.3Å
869	P	89.5	Confident	90.5	Very high	51 Å²	51	72.3 Å²	72.3	33%	0.331	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.2	-178.8	26.3	-34.7	0	0	0	113.4	H808 K871 T1110 Q1116	H808-P869 PolarHBondContact CE1-O 3.1Å; H808-P869 WeakPolarHBondContact NE2-CA 3.49Å; H808-P869 WeakPolarHBondContact NE2-CB 3.4Å; P869-K871 PolarHBondContact O-N 3.01Å; P869-T1110 HydrophobicContact CB-CG2 4.11Å; P869-Q1116 HydrophobicContact CB-CG 4.28Å
870	N	89.2	Confident	90.6	Very high	125 Å²	125	68.4 Å²	68.4	67%	0.668	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.3	175.2	-66.2	-20.5	0	0	0	113.6	G868 E872	G868-N870 VanDerWaalsContact C-N 3.29Å; G868-N870 PolarHBondContact O-N 3.21Å; N870-E872 VanDerWaalsContact C-N 3.34Å; N870-E872 HydrophobicContact CB-CG 3.93Å; N870-E872 WeakPolarHBondContact CB-OE1 3.08Å; N870-E872 PolarHBondContact ND2-OE1 2.92Å; N870-E872 PolarHBondContact O-N 3.19Å
871	K	87.3	Confident	90.8	Very high	81 Å²	81	65.6 Å²	65.6	35%	0.352	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	43.7	-175.5	-58.9	-166.6	180	-168.4	0	113.7	V866 G868 P869 Y1066	V866-K871 VanDerWaalsContact CG1-CA 3.42Å; V866-K871 HydrophobicContact CG1-CB 3.49Å; V866-K871 VanDerWaalsContact CG1-CB 3.49Å; V866-K871 HydrophobicContact CG1-CD 4.36Å; V866-K871 HydrophobicContact CG1-CG 3.79Å; G868-K871 PolarHBondContact O-N 3.49Å; G868-K871 VanDerWaalsContact O-N 3.13Å; P869-K871 PolarHBondContact O-N 3.01Å; K871-Y1066 PolarHBondContact NZ-O 3.43Å
872	E	90.8	Very high	91	Very high	114 Å²	114	63 Å²	63	53%	0.533	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.8	179.4	-70.8	169.4	-147.1	0	0	110	S867 N870 V874	S867-E872 PolarHBondContact N-O 2.99Å; S867-E872 PolarHBondContact O-N 3.23Å; N870-E872 VanDerWaalsContact C-N 3.34Å; N870-E872 HydrophobicContact CB-CG 3.93Å; N870-E872 WeakPolarHBondContact CB-OE1 3.08Å; N870-E872 PolarHBondContact ND2-OE1 2.92Å; N870-E872 PolarHBondContact O-N 3.19Å; E872-V874 HydrophobicContact CB-CG2 4.38Å; E872-V874 PolarHBondContact O-N 2.99Å
873	L	91.3	Very high	91.2	Very high	118 Å²	118	57.5 Å²	57.5	62%	0.618	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	112.4	178.3	-150.2	85.7	0	0	0	109.2	E864 V865 V866	E864-L873 HydrophobicContact CB-CD2 4.3Å; E864-L873 HydrophobicContact CB-CG 4.49Å; V865-L873 WeakPolarHBondContact O-CA 3.49Å; V866-L873 HydrophobicContact CG2-CD1 4.06Å
874	V	92.6	Very high	91.2	Very high	62 Å²	62	57.8 Å²	57.8	38%	0.376	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.4	-174.2	-173.4	0	0	0	0	109.5	V865 E872 A876	V865-V874 PolarHBondContact N-O 3.43Å; V865-V874 PolarHBondContact O-N 2.9Å; E872-V874 HydrophobicContact CB-CG2 4.38Å; E872-V874 PolarHBondContact O-N 2.99Å; V874-A876 PolarHBondContact O-N 3.22Å
875	R	91.3	Very high	91.2	Very high	206 Å²	206	53.9 Å²	53.9	78%	0.777	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	126	168.1	-75.2	-178.9	178.1	-173.4	-0.1	109.3	T863 E864	T863-R875 WeakPolarHBondContact O-CA 3.43Å; E864-R875 HydrophobicContact CG-CG 3.84Å; E864-R875 IonicContact OE1-CZ 3.95Å; E864-R875 IonicContact OE1-NE 3.16Å; E864-R875 PolarHBondContact OE1-NE 3.48Å; E864-R875 VanDerWaalsContact OE1-NE 3.16Å; E864-R875 IonicContact OE1-NH2 3.81Å
876	A	89.3	Confident	91	Very high	14 Å²	14	58.1 Å²	58.1	12%	0.116	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.4	-179.6	0	0	0	0	0	109.8	T863 V865 V874 M1104	T863-A876 HydrophobicContact CG2-CB 4.29Å; T863-A876 PolarHBondContact N-O 3.22Å; T863-A876 PolarHBondContact O-N 2.87Å; V865-A876 HydrophobicContact CG2-CB 3.78Å; V874-A876 PolarHBondContact O-N 3.22Å; A876-M1104 HydrophobicContact CB-CB 4.49Å; A876-M1104 HydrophobicContact CB-CE 4.02Å
877	E	89.5	Confident	91.1	Very high	139 Å²	139	57.4 Å²	57.4	65%	0.65	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.7	170.5	-66.1	173.7	130.1	0	0	107.7	V860 V879	V860-E877 HydrophobicContact CG1-CB 4.12Å; V860-E877 HydrophobicContact CG1-CG 4.48Å; E877-V879 PolarHBondContact O-N 3.38Å
878	M	89.4	Confident	91	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	111	169.8	178.1	-176.7	172.6	0	0	108.7	V860 L861 L880 A1100 W1103 M1104	V860-M878 WeakPolarHBondContact CA-O 3.46Å; L861-M878 HydrophobicContact CB-CB 4.41Å; L861-M878 PolarHBondContact N-O 3.39Å; L861-M878 PolarHBondContact O-N 2.87Å; M878-L880 HydrophobicContact CE-CB 4.2Å; M878-L880 HydrophobicContact CE-CD1 4.1Å; M878-A1100 HydrophobicContact CB-CB 4.31Å; M878-A1100 VanDerWaalsContact SD-CA 3.54Å; M878-A1100 HydrophobicContact SD-CB 3.68Å; M878-W1103 HydrophobicContact CE-CB 4.23Å; M878-W1103 HydrophobicContact CE-CD2 4.13Å; M878-W1103 HydrophobicContact CE-CG 3.68Å; M878-W1103 HydrophobicContact SD-CB 4.1Å; M878-W1103 HydrophobicContact SD-CG 4.03Å; M878-M1104 HydrophobicContact CB-CG 3.86Å; M878-M1104 HydrophobicContact CB-SD 4.03Å; M878-M1104 HydrophobicContact CG-CG 4.33Å; M878-M1104 HydrophobicContact CG-SD 4.2Å
879	V	91.5	Very high	91.1	Very high	71 Å²	71	62 Å²	62	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	114	170.1	-174.7	0	0	0	0	109.1	E858 V860 E877 P881	E858-V879 HydrophobicContact CB-CG1 3.94Å; E858-V879 HydrophobicContact CG-CG1 3.75Å; V860-V879 HydrophobicContact CG2-CG2 4.45Å; E877-V879 PolarHBondContact O-N 3.38Å; V879-P881 WeakPolarHBondContact O-CD 3.39Å
880	L	91.7	Very high	91.2	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.5	175.6	-178.3	60.5	0	0	0	110.1	K825 V827 D837 Q859 M878 V882	K825-L880 HydrophobicContact CD-CD1 4.38Å; K825-L880 HydrophobicContact CG-CD1 3.96Å; V827-L880 HydrophobicContact CG2-CD1 4.05Å; V827-L880 HydrophobicContact CG2-CD2 4.08Å; V827-L880 HydrophobicContact CG2-CG 4.3Å; D837-L880 HydrophobicContact CB-CD2 4.01Å; Q859-L880 HydrophobicContact CB-CB 4.32Å; Q859-L880 PolarHBondContact N-O 3.44Å; Q859-L880 PolarHBondContact O-N 3.46Å; M878-L880 HydrophobicContact CE-CB 4.2Å; M878-L880 HydrophobicContact CE-CD1 4.1Å; L880-V882 HydrophobicContact CG-CG2 4.4Å
881	P	94.2	Very high	91.2	Very high	17 Å²	17	56.3 Å²	56.3	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.8	173.9	28.4	-34.1	0	0	0	110.9	K825 V826 V827 L851 I856 V879	K825-P881 WeakPolarHBondContact O-CG 3.49Å; V826-P881 WeakPolarHBondContact CA-O 3.43Å; V826-P881 HydrophobicContact CB-CG 4.45Å; V826-P881 HydrophobicContact CG2-CB 4.33Å; V826-P881 HydrophobicContact CG2-CG 3.88Å; V827-P881 PolarHBondContact N-O 3.25Å; L851-P881 HydrophobicContact CD2-CB 3.58Å; L851-P881 HydrophobicContact CD2-CG 3.83Å; I856-P881 HydrophobicContact CG2-CB 3.86Å; V879-P881 WeakPolarHBondContact O-CD 3.39Å
882	V	94.2	Very high	91.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112.4	-178.4	-174.4	0	0	0	0	109.5	V827 K829 I856 K857 Q859 L880 E884	V827-V882 HydrophobicContact CB-CG2 4.36Å; V827-V882 HydrophobicContact CG1-CG1 4.45Å; V827-V882 CarbonylContact O-C 3.59Å; V827-V882 VanDerWaalsContact O-CA 3.31Å; V827-V882 WeakPolarHBondContact O-CA 3.26Å; K829-V882 HydrophobicContact CD-CG1 3.87Å; K829-V882 HydrophobicContact CG-CG1 3.85Å; I856-V882 WeakPolarHBondContact CA-O 3.16Å; K857-V882 PolarHBondContact N-O 3.41Å; K857-V882 PolarHBondContact O-N 3.27Å; Q859-V882 HydrophobicContact CB-CG2 4.4Å; Q859-V882 HydrophobicContact CG-CG2 3.79Å; L880-V882 HydrophobicContact CG-CG2 4.4Å; V882-E884 PolarHBondContact O-N 3.17Å
883	L	93.6	Very high	91.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.2	176.6	-177.8	64	0	0	0	110	V826 V827 V828 K829 M842 E855 I856 V885 V903 M904 M907	V826-L883 HydrophobicContact CG1-CB 3.87Å; V827-L883 PolarHBondContact O-N 2.94Å; V828-L883 HydrophobicContact CG1-CB 4.43Å; V828-L883 HydrophobicContact CG1-CD2 4.29Å; V828-L883 HydrophobicContact CG1-CG 4.49Å; K829-L883 PolarHBondContact N-O 2.97Å; K829-L883 VanDerWaalsContact N-O 3.14Å; M842-L883 HydrophobicContact CE-CD2 3.92Å; M842-L883 HydrophobicContact SD-CD2 4.44Å; E855-L883 HydrophobicContact CB-CD1 3.73Å; I856-L883 HydrophobicContact CD1-CB 3.81Å; I856-L883 HydrophobicContact CD1-CD1 3.86Å; I856-L883 HydrophobicContact CD1-CG 4.4Å; I856-L883 HydrophobicContact CG1-CD1 4.41Å; L883-V885 HydrophobicContact CD1-CG1 3.95Å; L883-V885 HydrophobicContact CD2-CG1 4.37Å; L883-V885 HydrophobicContact CD2-CG2 4.11Å; L883-V885 HydrophobicContact CG-CG1 3.87Å; L883-V885 HydrophobicContact CG-CG2 3.98Å; L883-V885 PolarHBondContact O-N 3.28Å; L883-V903 HydrophobicContact CD2-CG1 4.44Å; L883-M904 HydrophobicContact CD1-SD 4.17Å; L883-M907 HydrophobicContact CD2-CE 4.06Å; L883-M907 HydrophobicContact CD2-SD 4.11Å
884	E	91.9	Very high	91.6	Very high	24 Å²	24	47.3 Å²	47.3	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	87.2	-179.9	-76.6	-168.9	175	0	0	112.6	K829 K831 E855 K857 V882	K829-E884 WeakPolarHBondContact O-CA 3.44Å; K831-E884 WeakPolarHBondContact CE-O 3.39Å; K831-E884 HydrophobicContact CG-CB 3.86Å; K831-E884 HydrophobicContact CG-CG 4.4Å; E855-E884 PolarHBondContact O-N 3.46Å; K857-E884 WeakPolarHBondContact CD-OE1 3.47Å; K857-E884 VanDerWaalsContact CE-CD 3.41Å; K857-E884 WeakPolarHBondContact CE-OE1 3.33Å; K857-E884 WeakPolarHBondContact CE-OE2 3.2Å; K857-E884 IonicContact NZ-OE1 3.57Å; K857-E884 PolarHBondContact NZ-OE1 3.03Å; K857-E884 IonicContact NZ-OE2 3.9Å; K857-E884 PolarHBondContact NZ-OE2 2.89Å; V882-E884 PolarHBondContact O-N 3.17Å
885	V	91.4	Very high	91.4	Very high	9 Å²	9	52.1 Å²	52.1	6%	0.055	26%	0.259	C	S	.	.			trans	-132.6	155.9	-178	-67	0	0	0	0	111.4	V828 K829 E855 L883 T887 V903 M904	V828-V885 HydrophobicContact CG1-CG2 3.48Å; V828-V885 VanDerWaalsContact CG1-CG2 3.48Å; K829-V885 CarbonylContact C-O 3.59Å; K829-V885 PolarHBondContact O-N 2.86Å; E855-V885 HydrophobicContact CB-CG1 4.43Å; L883-V885 HydrophobicContact CD1-CG1 3.95Å; L883-V885 HydrophobicContact CD2-CG1 4.37Å; L883-V885 HydrophobicContact CD2-CG2 4.11Å; L883-V885 HydrophobicContact CG-CG1 3.87Å; L883-V885 HydrophobicContact CG-CG2 3.98Å; L883-V885 PolarHBondContact O-N 3.28Å; V885-T887 PolarHBondContact O-N 3.39Å; V885-T887 VanDerWaalsContact O-N 3.16Å; V885-V903 HydrophobicContact CG2-CG1 3.87Å; V885-M904 HydrophobicContact CG1-CG 4.25Å; V885-M904 HydrophobicContact CG1-SD 4.07Å
886	P	90.9	Very high	91.5	Very high	93 Å²	93	47 Å²	47	60%	0.604	25%	0.251	S	S	*	.			trans	-54.8	119.2	173.7	-26	35.8	0	0	0	111.6	D830 P889	D830-P886 VanDerWaalsContact OD1-CA 3.23Å; D830-P886 WeakPolarHBondContact OD1-CA 3.45Å; P886-P889 WeakPolarHBondContact O-CD 3.45Å
887	T	90.8	Very high	91.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	27%	0.265	C	S	.	.			trans	-85.4	-16.8	-177.5	71.9	0	0	0	0	113.3	D830 L840 V885 I890 K891	D830-T887 HydrophobicContact CB-CG2 4.47Å; D830-T887 PolarHBondContact OD1-N 3Å; D830-T887 WeakPolarHBondContact OD2-CB 3.33Å; D830-T887 WeakPolarHBondContact OD2-CG2 3.45Å; D830-T887 PolarHBondContact OD2-OG1 3.35Å; L840-T887 HydrophobicContact CD2-CG2 4.11Å; V885-T887 PolarHBondContact O-N 3.39Å; V885-T887 VanDerWaalsContact O-N 3.16Å; T887-I890 CarbonylContact O-C 3.6Å; T887-I890 WeakPolarHBondContact O-CA 3.28Å; T887-I890 WeakPolarHBondContact O-CB 3.36Å; T887-I890 PolarHBondContact O-N 2.67Å; T887-K891 PolarHBondContact O-N 3.3Å; T887-K891 WeakPolarHBondContact OG1-CD 3.43Å; T887-K891 VanDerWaalsContact OG1-CE 3.24Å; T887-K891 WeakPolarHBondContact OG1-CE 3.49Å; T887-K891 PolarHBondContact OG1-NZ 3.13Å
888	E	90.4	Very high	91.6	Very high	102 Å²	102	46.2 Å²	46.2	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-54.9	-44.5	-178.1	179.4	58.3	-155.4	0	0	113.5	I890 K891 Q892	E888-I890 VanDerWaalsContact C-N 3.28Å; E888-I890 PolarHBondContact O-N 3.42Å; E888-K891 PolarHBondContact O-N 2.95Å; E888-Q892 WeakPolarHBondContact O-CG 3.33Å; E888-Q892 PolarHBondContact O-N 3.33Å; E888-Q892 PolarHBondContact OE1-NE2 2.93Å
889	P	92.1	Very high	91.7	Very high	61 Å²	61	48.6 Å²	48.6	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-33.4	173.3	-25.5	37.5	0	0	0	113.9	P886 M893 M901	P886-P889 WeakPolarHBondContact O-CD 3.45Å; P889-M893 PolarHBondContact O-N 3.45Å; P889-M901 HydrophobicContact CB-CE 3.78Å
890	I	92.2	Very high	91.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-72.1	-44.3	176	-64.7	167.5	0	0	0	110.1	V828 L840 T887 E888 Q892 M893 I894 M901 V903 L934	V828-I890 HydrophobicContact CG1-CD1 3.97Å; L840-I890 HydrophobicContact CD1-CG2 3.94Å; L840-I890 HydrophobicContact CD2-CD1 4.2Å; L840-I890 HydrophobicContact CD2-CG2 3.99Å; T887-I890 CarbonylContact O-C 3.6Å; T887-I890 WeakPolarHBondContact O-CA 3.28Å; T887-I890 WeakPolarHBondContact O-CB 3.36Å; T887-I890 PolarHBondContact O-N 2.67Å; E888-I890 VanDerWaalsContact C-N 3.28Å; E888-I890 PolarHBondContact O-N 3.42Å; I890-Q892 VanDerWaalsContact C-N 3.27Å; I890-Q892 PolarHBondContact O-N 3.09Å; I890-M893 WeakPolarHBondContact O-CB 3.29Å; I890-M893 PolarHBondContact O-N 3.48Å; I890-M893 VanDerWaalsContact O-N 3.16Å; I890-I894 HydrophobicContact CG2-CD1 3.89Å; I890-I894 WeakPolarHBondContact O-CD1 3.43Å; I890-I894 WeakPolarHBondContact O-CG1 3.34Å; I890-I894 PolarHBondContact O-N 3.02Å; I890-M901 HydrophobicContact CB-SD 4.38Å; I890-M901 HydrophobicContact CG1-CE 4.32Å; I890-M901 HydrophobicContact CG1-SD 3.84Å; I890-V903 HydrophobicContact CD1-CG1 4.05Å; I890-V903 HydrophobicContact CD1-CG2 3.99Å; I890-V903 HydrophobicContact CG1-CG2 4.03Å; I890-L934 HydrophobicContact CD1-CD1 4.16Å; I890-L934 HydrophobicContact CG1-CD1 4.21Å; I890-L934 HydrophobicContact CG2-CD1 3.54Å; I890-L934 HydrophobicContact CG2-CD2 3.76Å; I890-L934 HydrophobicContact CG2-CG 4.25Å
891	K	89.9	Confident	91.9	Very high	54 Å²	54	48.4 Å²	48.4	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-41.4	174.3	-72.1	166.6	173.7	160.1	0	110	D830 E835 T887 E888 I894 M895	D830-K891 IonicContact OD2-NZ 2.84Å; E835-K891 IonicContact OE1-NZ 2.94Å; E835-K891 PolarHBondContact OE1-NZ 3.48Å; T887-K891 PolarHBondContact O-N 3.3Å; T887-K891 WeakPolarHBondContact OG1-CD 3.43Å; T887-K891 VanDerWaalsContact OG1-CE 3.24Å; T887-K891 WeakPolarHBondContact OG1-CE 3.49Å; T887-K891 PolarHBondContact OG1-NZ 3.13Å; E888-K891 PolarHBondContact O-N 2.95Å; K891-I894 PolarHBondContact O-N 3.48Å; K891-M895 WeakPolarHBondContact O-CB 3.31Å; K891-M895 VanDerWaalsContact O-CG 3.27Å; K891-M895 WeakPolarHBondContact O-CG 3.49Å; K891-M895 PolarHBondContact O-N 2.98Å
892	Q	91.9	Very high	91.8	Very high	101 Å²	101	52.5 Å²	52.5	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-42	172.6	-70.2	176.8	16.4	0	0	113.8	E888 I890 I894 M895 T896	E888-Q892 WeakPolarHBondContact O-CG 3.33Å; E888-Q892 PolarHBondContact O-N 3.33Å; E888-Q892 PolarHBondContact OE1-NE2 2.93Å; I890-Q892 VanDerWaalsContact C-N 3.27Å; I890-Q892 PolarHBondContact O-N 3.09Å; Q892-I894 VanDerWaalsContact C-N 3.3Å; Q892-I894 PolarHBondContact O-N 2.89Å; Q892-M895 PolarHBondContact O-N 3Å; Q892-T896 WeakPolarHBondContact O-CB 3.32Å; Q892-T896 WeakPolarHBondContact O-CG2 3.23Å; Q892-T896 PolarHBondContact O-N 3.47Å; Q892-T896 PolarHBondContact O-OG1 3.19Å
893	M	92.8	Very high	91.5	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-42.3	173.6	177.1	-138.3	-163.3	0	0	111.5	P889 I890 T896 G897 Q898 M901 V909 N911	P889-M893 PolarHBondContact O-N 3.45Å; I890-M893 WeakPolarHBondContact O-CB 3.29Å; I890-M893 PolarHBondContact O-N 3.48Å; I890-M893 VanDerWaalsContact O-N 3.16Å; M893-T896 PolarHBondContact O-OG1 3.47Å; M893-G897 PolarHBondContact O-N 3.4Å; M893-Q898 HydrophobicContact CB-CB 4.4Å; M893-Q898 HydrophobicContact CG-CB 3.81Å; M893-Q898 HydrophobicContact CG-CG 4.11Å; M893-Q898 PolarHBondContact O-N 2.96Å; M893-M901 HydrophobicContact CB-CG 4.49Å; M893-M901 HydrophobicContact CB-SD 3.59Å; M893-M901 VanDerWaalsContact CB-SD 3.59Å; M893-M901 HydrophobicContact CE-CB 4.16Å; M893-M901 HydrophobicContact CE-CG 3.88Å; M893-M901 HydrophobicContact CG-CB 4.19Å; M893-M901 HydrophobicContact CG-CG 4.13Å; M893-M901 HydrophobicContact CG-SD 3.84Å; M893-M901 HydrophobicContact SD-CB 4.32Å; M893-M901 HydrophobicContact SD-CG 3.72Å; M893-M901 HydrophobicContact SD-SD 3.62Å; M893-M901 VanDerWaalsContact SD-SD 3.62Å; M893-V909 HydrophobicContact CE-CG2 4.32Å; M893-N911 HydrophobicContact CE-CB 3.79Å; M893-N911 HydrophobicContact SD-CB 4.44Å
894	I	91.1	Very high	91	Very high	22 Å²	22	55.5 Å²	55.5	11%	0.113	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-50	176.4	-65.6	153.4	0	0	0	110.6	I890 K891 Q892 T896 G897 L934 S936 A938 Q939	I890-I894 HydrophobicContact CG2-CD1 3.89Å; I890-I894 WeakPolarHBondContact O-CD1 3.43Å; I890-I894 WeakPolarHBondContact O-CG1 3.34Å; I890-I894 PolarHBondContact O-N 3.02Å; K891-I894 PolarHBondContact O-N 3.48Å; Q892-I894 VanDerWaalsContact C-N 3.3Å; Q892-I894 PolarHBondContact O-N 2.89Å; I894-T896 VanDerWaalsContact C-N 3.32Å; I894-T896 PolarHBondContact O-N 3.38Å; I894-G897 PolarHBondContact O-N 3.21Å; I894-G897 VanDerWaalsContact O-N 3.14Å; I894-L934 HydrophobicContact CD1-CD2 4.11Å; I894-L934 HydrophobicContact CG1-CD2 4.32Å; I894-S936 WeakPolarHBondContact CD1-OG 3.36Å; I894-A938 HydrophobicContact CG2-CB 4.16Å; I894-Q939 HydrophobicContact CG1-CG 4.21Å; I894-Q939 HydrophobicContact CG2-CG 3.78Å
895	M	89.7	Confident	90.3	Very high	163 Å²	163	62.6 Å²	62.6	80%	0.803	34%	0.336	S	S	*	.	H	α-helix	trans	-62.3	-35.5	-178.6	-73.8	174.8	66.5	0	0	113.5	K891 Q892 G897	K891-M895 WeakPolarHBondContact O-CB 3.31Å; K891-M895 VanDerWaalsContact O-CG 3.27Å; K891-M895 WeakPolarHBondContact O-CG 3.49Å; K891-M895 PolarHBondContact O-N 2.98Å; Q892-M895 PolarHBondContact O-N 3Å; M895-G897 VanDerWaalsContact C-N 3.33Å
896	T	92.5	Very high	89.9	Confident	98 Å²	98	69.4 Å²	69.4	60%	0.601	37%	0.372	S	S	*	.	H	α-helix	trans	-82.9	-9.4	178.1	54.8	0	0	0	0	113.3	Q892 M893 I894 Q898	Q892-T896 WeakPolarHBondContact O-CB 3.32Å; Q892-T896 WeakPolarHBondContact O-CG2 3.23Å; Q892-T896 PolarHBondContact O-N 3.47Å; Q892-T896 PolarHBondContact O-OG1 3.19Å; M893-T896 PolarHBondContact O-OG1 3.47Å; I894-T896 VanDerWaalsContact C-N 3.32Å; I894-T896 PolarHBondContact O-N 3.38Å; T896-Q898 PolarHBondContact O-N 2.84Å
897	G	89.1	Confident	89.7	Confident	39 Å²	39	65.4 Å²	65.4	40%	0.402	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	22.5	-172.7	0	0	0	0	0	113.4	M893 I894 M895 M899	M893-G897 PolarHBondContact O-N 3.4Å; I894-G897 PolarHBondContact O-N 3.21Å; I894-G897 VanDerWaalsContact O-N 3.14Å; M895-G897 VanDerWaalsContact C-N 3.33Å; G897-M899 WeakPolarHBondContact O-CE 3.2Å; G897-M899 PolarHBondContact O-N 3.27Å
898	Q	92.7	Very high	89.8	Confident	97 Å²	97	69.4 Å²	69.4	45%	0.453	37%	0.366	S	S	.	.			trans	-63	130.8	177	177.9	173.2	-13.2	0	0	110.1	M893 T896 T900 N911	M893-Q898 HydrophobicContact CB-CB 4.4Å; M893-Q898 HydrophobicContact CG-CB 3.81Å; M893-Q898 HydrophobicContact CG-CG 4.11Å; M893-Q898 PolarHBondContact O-N 2.96Å; T896-Q898 PolarHBondContact O-N 2.84Å; Q898-T900 WeakPolarHBondContact CG-O 3.48Å; Q898-T900 PolarHBondContact NE2-O 3.25Å; Q898-N911 VanDerWaalsContact O-CB 3.29Å; Q898-N911 WeakPolarHBondContact O-CB 3.44Å; Q898-N911 PolarHBondContact O-ND2 3.45Å; Q898-N911 VanDerWaalsContact O-ND2 3.11Å
899	M	91.7	Very high	89.9	Confident	56 Å²	56	64.5 Å²	64.5	28%	0.276	34%	0.344	S	S	.	.	S	Bend	trans	-76.3	-33.8	-172.8	-69.4	-66.7	101.8	0	0	113.8	G897 Q910 N911 G914	G897-M899 WeakPolarHBondContact O-CE 3.2Å; G897-M899 PolarHBondContact O-N 3.27Å; M899-Q910 CarbonylContact O-C 3.56Å; M899-Q910 WeakPolarHBondContact O-CA 3.4Å; M899-Q910 WeakPolarHBondContact O-CG 3.21Å; M899-N911 PolarHBondContact O-N 2.85Å; M899-G914 WeakPolarHBondContact SD-CA 3.49Å
900	T	93.5	Very high	90.1	Very high	53 Å²	53	62.2 Å²	62.2	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145	-178.3	54.6	0	0	0	0	111	Q898 V909 Q910 M918	Q898-T900 WeakPolarHBondContact CG-O 3.48Å; Q898-T900 PolarHBondContact NE2-O 3.25Å; T900-V909 CarbonylContact C-O 3.57Å; T900-V909 VanDerWaalsContact CA-O 3.25Å; T900-V909 WeakPolarHBondContact CA-O 3.45Å; T900-Q910 HydrophobicContact CG2-CB 4.27Å; T900-Q910 HydrophobicContact CG2-CG 4.07Å; T900-M918 HydrophobicContact CG2-CE 4.43Å
901	M	93.1	Very high	90.2	Very high	22 Å²	22	62.3 Å²	62.3	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.7	172.6	75.2	177	-67.1	0	0	110.6	P889 I890 M893 V903 N908 V909	P889-M901 HydrophobicContact CB-CE 3.78Å; I890-M901 HydrophobicContact CB-SD 4.38Å; I890-M901 HydrophobicContact CG1-CE 4.32Å; I890-M901 HydrophobicContact CG1-SD 3.84Å; M893-M901 HydrophobicContact CB-CG 4.49Å; M893-M901 HydrophobicContact CB-SD 3.59Å; M893-M901 VanDerWaalsContact CB-SD 3.59Å; M893-M901 HydrophobicContact CE-CB 4.16Å; M893-M901 HydrophobicContact CE-CG 3.88Å; M893-M901 HydrophobicContact CG-CB 4.19Å; M893-M901 HydrophobicContact CG-CG 4.13Å; M893-M901 HydrophobicContact CG-SD 3.84Å; M893-M901 HydrophobicContact SD-CB 4.32Å; M893-M901 HydrophobicContact SD-CG 3.72Å; M893-M901 HydrophobicContact SD-SD 3.62Å; M893-M901 VanDerWaalsContact SD-SD 3.62Å; M901-V903 HydrophobicContact CE-CG2 4.49Å; M901-V903 HydrophobicContact CG-CG2 4.15Å; M901-V903 HydrophobicContact SD-CG2 4.23Å; M901-N908 WeakPolarHBondContact O-CA 3.47Å; M901-N908 PolarHBondContact O-ND2 3.35Å; M901-V909 HydrophobicContact CG-CG2 3.7Å; M901-V909 PolarHBondContact N-O 3.05Å; M901-V909 PolarHBondContact O-N 3.37Å
902	N	91.9	Very high	90.4	Very high	103 Å²	103	59.8 Å²	59.8	55%	0.551	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	120	164.4	-65.6	-12.3	0	0	0	108	M907 N908	N902-M907 CarbonylContact C-O 3.55Å; N902-M907 VanDerWaalsContact CA-O 3.31Å; N902-M907 WeakPolarHBondContact CA-O 3.32Å; N902-N908 WeakPolarHBondContact OD1-CA 3.38Å; N902-N908 WeakPolarHBondContact OD1-CB 3.27Å; N902-N908 PolarHBondContact OD1-ND2 3.16Å
903	V	87.4	Confident	90.4	Very high	26 Å²	26	58.2 Å²	58.2	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-30.3	175.5	174.3	0	0	0	0	110.5	M842 L883 V885 I890 M901 M907 V909	M842-V903 HydrophobicContact CE-CB 4.3Å; M842-V903 HydrophobicContact CE-CG1 4.08Å; M842-V903 HydrophobicContact CE-CG2 3.91Å; L883-V903 HydrophobicContact CD2-CG1 4.44Å; V885-V903 HydrophobicContact CG2-CG1 3.87Å; I890-V903 HydrophobicContact CD1-CG1 4.05Å; I890-V903 HydrophobicContact CD1-CG2 3.99Å; I890-V903 HydrophobicContact CG1-CG2 4.03Å; M901-V903 HydrophobicContact CE-CG2 4.49Å; M901-V903 HydrophobicContact CG-CG2 4.15Å; M901-V903 HydrophobicContact SD-CG2 4.23Å; V903-M907 PolarHBondContact N-O 2.97Å; V903-V909 HydrophobicContact CB-CG1 4.44Å; V903-V909 HydrophobicContact CG2-CB 4.31Å; V903-V909 HydrophobicContact CG2-CG1 3.78Å; V903-V909 HydrophobicContact CG2-CG2 3.5Å
904	M	84.9	Confident	90.3	Very high	39 Å²	39	58.1 Å²	58.1	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	171.1	173.1	-62.3	177.8	69.3	0	0	109.5	K853 E855 L883 V885 D906 M907	K853-M904 HydrophobicContact CD-CE 4.35Å; K853-M904 HydrophobicContact CD-SD 4.41Å; K853-M904 HydrophobicContact CG-SD 4.46Å; E855-M904 HydrophobicContact CG-CE 3.94Å; E855-M904 VanDerWaalsContact OE1-CE 3.28Å; E855-M904 WeakPolarHBondContact OE1-CE 3.44Å; E855-M904 WeakPolarHBondContact OE2-CE 3.3Å; L883-M904 HydrophobicContact CD1-SD 4.17Å; V885-M904 HydrophobicContact CG1-CG 4.25Å; V885-M904 HydrophobicContact CG1-SD 4.07Å; M904-D906 PolarHBondContact O-N 3.34Å; M904-M907 HydrophobicContact CB-CB 4.03Å; M904-M907 PolarHBondContact O-N 3.15Å
905	E	76	Confident	90.2	Very high	173 Å²	173	57.1 Å²	57.1	81%	0.808	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	127.2	163.6	-153.2	162.4	-162.1	0	0	109	K853 M907	K853-E905 PolarHBondContact NZ-O 3.08Å; E905-M907 VanDerWaalsContact C-N 3.32Å; E905-M907 PolarHBondContact O-N 3.43Å
906	D	82.9	Confident	90.2	Very high	151 Å²	151	51.2 Å²	51.2	81%	0.807	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	27.9	-172.8	-50.5	-37.5	0	0	0	116.9	M904	M904-D906 PolarHBondContact O-N 3.34Å
907	M	88	Confident	90.1	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.044	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	84	173.7	-167.7	174.2	176.2	0	0	112.5	M842 I850 L883 N902 V903 M904 E905 V909	M842-M907 HydrophobicContact CE-CE 3.88Å; M842-M907 HydrophobicContact SD-CE 3.27Å; M842-M907 WeakPolarHBondContact SD-CE 3.3Å; I850-M907 HydrophobicContact CB-CE 4.36Å; I850-M907 HydrophobicContact CD1-CE 3.87Å; I850-M907 HydrophobicContact CG1-CE 3.88Å; I850-M907 HydrophobicContact CG2-CE 3.76Å; L883-M907 HydrophobicContact CD2-CE 4.06Å; L883-M907 HydrophobicContact CD2-SD 4.11Å; N902-M907 CarbonylContact C-O 3.55Å; N902-M907 VanDerWaalsContact CA-O 3.31Å; N902-M907 WeakPolarHBondContact CA-O 3.32Å; V903-M907 PolarHBondContact N-O 2.97Å; M904-M907 HydrophobicContact CB-CB 4.03Å; M904-M907 PolarHBondContact O-N 3.15Å; E905-M907 VanDerWaalsContact C-N 3.32Å; E905-M907 PolarHBondContact O-N 3.43Å; M907-V909 HydrophobicContact CE-CG1 4.3Å; M907-V909 HydrophobicContact CG-CG1 4.4Å
908	N	92	Very high	90.1	Very high	85 Å²	85	57.2 Å²	57.2	46%	0.455	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.4	173.2	-168.4	-101.3	0	0	0	111	M901 N902	M901-N908 WeakPolarHBondContact O-CA 3.47Å; M901-N908 PolarHBondContact O-ND2 3.35Å; N902-N908 WeakPolarHBondContact OD1-CA 3.38Å; N902-N908 WeakPolarHBondContact OD1-CB 3.27Å; N902-N908 PolarHBondContact OD1-ND2 3.16Å
909	V	93.2	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.1	175.5	-49.6	0	0	0	0	110.4	M842 M893 T900 M901 V903 M907 V932 L934	M842-V909 HydrophobicContact CE-CG1 3.88Å; M842-V909 HydrophobicContact SD-CG1 3.95Å; M893-V909 HydrophobicContact CE-CG2 4.32Å; T900-V909 CarbonylContact C-O 3.57Å; T900-V909 VanDerWaalsContact CA-O 3.25Å; T900-V909 WeakPolarHBondContact CA-O 3.45Å; M901-V909 HydrophobicContact CG-CG2 3.7Å; M901-V909 PolarHBondContact N-O 3.05Å; M901-V909 PolarHBondContact O-N 3.37Å; V903-V909 HydrophobicContact CB-CG1 4.44Å; V903-V909 HydrophobicContact CG2-CB 4.31Å; V903-V909 HydrophobicContact CG2-CG1 3.78Å; V903-V909 HydrophobicContact CG2-CG2 3.5Å; M907-V909 HydrophobicContact CE-CG1 4.3Å; M907-V909 HydrophobicContact CG-CG1 4.4Å; V909-V932 WeakPolarHBondContact CA-O 3.48Å; V909-V932 HydrophobicContact CB-CG1 4.48Å; V909-V932 HydrophobicContact CG1-CB 4.23Å; V909-V932 HydrophobicContact CG1-CG1 3.96Å; V909-L934 HydrophobicContact CB-CB 4.46Å; V909-L934 HydrophobicContact CG2-CB 4.31Å; V909-L934 HydrophobicContact CG2-CD1 3.8Å
910	Q	94.7	Very high	90.1	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.8	179.7	-169.2	-167.7	-47.5	0	0	110.6	M899 T900 G912 S931 V932 L933 L934	M899-Q910 CarbonylContact O-C 3.56Å; M899-Q910 WeakPolarHBondContact O-CA 3.4Å; M899-Q910 WeakPolarHBondContact O-CG 3.21Å; T900-Q910 HydrophobicContact CG2-CB 4.27Å; T900-Q910 HydrophobicContact CG2-CG 4.07Å; Q910-G912 PolarHBondContact O-N 3.16Å; Q910-S931 PolarHBondContact OE1-OG 3.05Å; Q910-V932 PolarHBondContact N-O 3.17Å; Q910-L933 HydrophobicContact CB-CD2 4.18Å; Q910-L934 WeakPolarHBondContact O-CB 3.27Å; Q910-L934 PolarHBondContact O-N 3.23Å
911	N	95.1	Very high	90.1	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	119.9	173.2	-169.4	-25.8	0	0	0	109.1	M893 Q898 M899 L913 G914 Q939	M893-N911 HydrophobicContact CE-CB 3.79Å; M893-N911 HydrophobicContact SD-CB 4.44Å; Q898-N911 VanDerWaalsContact O-CB 3.29Å; Q898-N911 WeakPolarHBondContact O-CB 3.44Å; Q898-N911 PolarHBondContact O-ND2 3.45Å; Q898-N911 VanDerWaalsContact O-ND2 3.11Å; M899-N911 PolarHBondContact O-N 2.85Å; N911-L913 PolarHBondContact O-N 3.15Å; N911-L913 VanDerWaalsContact O-N 3.12Å; N911-L913 PolarHBondContact OD1-N 2.92Å; N911-G914 WeakPolarHBondContact O-CA 3.42Å; N911-G914 PolarHBondContact O-N 3.01Å; N911-Q939 PolarHBondContact OD1-NE2 3.23Å
912	G	94.1	Very high	90.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-60.2	-21.3	-176.3	0	0	0	0	0	115.1	Q910 G914 L934 R1018	Q910-G912 PolarHBondContact O-N 3.16Å; G912-G914 VanDerWaalsContact C-N 3.32Å; G912-L934 WeakPolarHBondContact CA-O 3.35Å; G912-L934 PolarHBondContact N-O 3.49Å; G912-R1018 PolarHBondContact O-NH2 3.28Å
913	L	92.8	Very high	90.3	Very high	69 Å²	69	52.9 Å²	52.9	36%	0.361	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-74.4	-22.1	171.3	-65.5	-179.8	0	0	0	112.9	N911 Q915 Q939 Y940	N911-L913 PolarHBondContact O-N 3.15Å; N911-L913 VanDerWaalsContact O-N 3.12Å; N911-L913 PolarHBondContact OD1-N 2.92Å; L913-Q915 VanDerWaalsContact C-N 3.32Å; L913-Q939 HydrophobicContact CD1-CB 3.81Å; L913-Q939 HydrophobicContact CD1-CG 3.94Å; L913-Q939 HydrophobicContact CD2-CB 4.43Å; L913-Q939 HydrophobicContact CG-CB 4.05Å; L913-Q939 HydrophobicContact CG-CG 4.05Å; L913-Y940 HydrophobicContact CD2-CE1 3.8Å
914	G	89.2	Confident	90.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.1	-11.6	179.5	0	0	0	0	0	114.6	M899 N911 G912 S916 Q917 M918	M899-G914 WeakPolarHBondContact SD-CA 3.49Å; N911-G914 WeakPolarHBondContact O-CA 3.42Å; N911-G914 PolarHBondContact O-N 3.01Å; G912-G914 VanDerWaalsContact C-N 3.32Å; G914-S916 VanDerWaalsContact C-N 3.3Å; G914-S916 PolarHBondContact O-N 2.94Å; G914-Q917 PolarHBondContact O-N 2.98Å; G914-M918 WeakPolarHBondContact O-CG 3.42Å; G914-M918 PolarHBondContact O-N 3.1Å
915	Q	90.9	Very high	91.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-38.3	-169.7	-174.6	63.5	-8	0	0	113.5	L913 Q917 M918 H919 A922 A923	L913-Q915 VanDerWaalsContact C-N 3.32Å; Q915-Q917 PolarHBondContact O-N 3.3Å; Q915-M918 PolarHBondContact O-N 2.95Å; Q915-H919 CarbonylContact O-C 3.01Å; Q915-H919 PolarHBondContact O-N 3.36Å; Q915-A922 VanDerWaalsContact NE2-CB 3.28Å; Q915-A923 HydrophobicContact CG-CB 4.05Å
916	S	88.5	Confident	92	Very high	39 Å²	39	43.4 Å²	43.4	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-64.1	-24.4	177.3	-62.2	0	0	0	0	114	G914	G914-S916 VanDerWaalsContact C-N 3.3Å; G914-S916 PolarHBondContact O-N 2.94Å
917	Q	89.6	Confident	92.6	Very high	161 Å²	161	39.6 Å²	39.6	75%	0.752	20%	0.195	S	C	*	.	H	α-helix	trans	-93.2	-39.1	177.8	-58.3	-179.4	13.4	0	0	111.6	G914 Q915	G914-Q917 PolarHBondContact O-N 2.98Å; Q915-Q917 PolarHBondContact O-N 3.3Å
918	M	89.7	Confident	93	Very high	101 Å²	101	41.8 Å²	41.8	50%	0.498	21%	0.206	S	C	.	.	H	α-helix	trans	-78.3	-39.1	-176.2	-65.8	-66.2	-70	0	0	113.2	T900 G914 Q915	T900-M918 HydrophobicContact CG2-CE 4.43Å; G914-M918 WeakPolarHBondContact O-CG 3.42Å; G914-M918 PolarHBondContact O-N 3.1Å; Q915-M918 PolarHBondContact O-N 2.95Å
919	H	92.1	Very high	93.1	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.292	19%	0.185	S	C	.	.			trans	-151.5	72.3	-173	-159.8	-62.2	0	0	0	111.6	Q915 K921 A922 A923 E927	Q915-H919 CarbonylContact O-C 3.01Å; Q915-H919 PolarHBondContact O-N 3.36Å; H919-K921 PolarHBondContact O-N 2.93Å; H919-K921 VanDerWaalsContact O-N 3.16Å; H919-A922 HydrophobicContact CB-CB 4.22Å; H919-A922 WeakPolarHBondContact ND1-CB 3.28Å; H919-A922 PolarHBondContact ND1-N 3.09Å; H919-A922 WeakPolarHBondContact O-CA 3.49Å; H919-A922 PolarHBondContact O-N 3.38Å; H919-A923 PolarHBondContact O-N 3.19Å; H919-A923 VanDerWaalsContact O-N 3.11Å; H919-E927 IonicContact CE1-OE2 2.7Å; H919-E927 PolarHBondContact CE1-OE2 2.68Å
920	H	92.5	Very high	92.9	Very high	98 Å²	98	44.4 Å²	44.4	45%	0.454	22%	0.221	S	C	.	.	H	α-helix	trans	-46.5	-49.7	-170.8	-170.8	71.3	0	0	0	114.8	T17 A922 A923 T924	T17-H920 PolarHBondContact OG1-CE1 3.01Å; T17-H920 PolarHBondContact OG1-NE2 3.29Å; H920-A922 PolarHBondContact O-N 2.91Å; H920-A923 WeakPolarHBondContact O-CA 3.32Å; H920-A923 VanDerWaalsContact O-CB 3.31Å; H920-A923 WeakPolarHBondContact O-CB 3.25Å; H920-A923 PolarHBondContact O-N 2.98Å; H920-T924 PolarHBondContact O-N 3.36Å; H920-T924 PolarHBondContact O-OG1 3.14Å
921	K	94.3	Very high	92.8	Very high	79 Å²	79	45.3 Å²	45.3	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-29	177.9	-76.6	-165.8	174.9	-167	0	114.5	N707 H919 T924 G925 E926 E927	N707-K921 PolarHBondContact OD1-NZ 3.02Å; H919-K921 PolarHBondContact O-N 2.93Å; H919-K921 VanDerWaalsContact O-N 3.16Å; K921-T924 WeakPolarHBondContact CA-OG1 3.41Å; K921-T924 PolarHBondContact O-OG1 3.41Å; K921-G925 PolarHBondContact O-N 3.45Å; K921-E926 HydrophobicContact CB-CB 4.13Å; K921-E926 HydrophobicContact CG-CB 4.44Å; K921-E926 WeakPolarHBondContact O-CA 3.37Å; K921-E926 WeakPolarHBondContact O-CB 3.21Å; K921-E926 PolarHBondContact O-N 3.46Å; K921-E927 HydrophobicContact CB-CB 4.3Å; K921-E927 HydrophobicContact CB-CG 4.03Å; K921-E927 HydrophobicContact CD-CG 4.12Å; K921-E927 WeakPolarHBondContact CD-OE1 3.46Å; K921-E927 IonicContact NZ-OE1 3.15Å; K921-E927 PolarHBondContact NZ-OE1 2.79Å; K921-E927 PolarHBondContact O-N 3.47Å; K921-E927 VanDerWaalsContact O-N 3.15Å
922	A	94.9	Very high	92.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-81.5	-27.5	175.9	0	0	0	0	0	111.3	Q915 H919 H920 G925 E927 P929 E1014	Q915-A922 VanDerWaalsContact NE2-CB 3.28Å; H919-A922 HydrophobicContact CB-CB 4.22Å; H919-A922 WeakPolarHBondContact ND1-CB 3.28Å; H919-A922 PolarHBondContact ND1-N 3.09Å; H919-A922 WeakPolarHBondContact O-CA 3.49Å; H919-A922 PolarHBondContact O-N 3.38Å; H920-A922 PolarHBondContact O-N 2.91Å; A922-G925 PolarHBondContact O-N 3.49Å; A922-E927 VanDerWaalsContact CA-O 3.24Å; A922-E927 WeakPolarHBondContact CA-O 3.37Å; A922-E927 WeakPolarHBondContact CB-O 3.41Å; A922-P929 HydrophobicContact CB-CG 4.1Å; A922-E1014 WeakPolarHBondContact O-CB 3.37Å; A922-E1014 WeakPolarHBondContact O-CG 3.49Å
923	A	94.7	Very high	92.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-38.2	169.4	0	0	0	0	0	112.2	Q915 H919 H920 G925 A1012 K1013 E1014	Q915-A923 HydrophobicContact CG-CB 4.05Å; H919-A923 PolarHBondContact O-N 3.19Å; H919-A923 VanDerWaalsContact O-N 3.11Å; H920-A923 WeakPolarHBondContact O-CA 3.32Å; H920-A923 VanDerWaalsContact O-CB 3.31Å; H920-A923 WeakPolarHBondContact O-CB 3.25Å; H920-A923 PolarHBondContact O-N 2.98Å; A923-G925 VanDerWaalsContact C-N 3.26Å; A923-G925 PolarHBondContact O-N 3.25Å; A923-A1012 HydrophobicContact CB-CB 3.69Å; A923-A1012 CarbonylContact O-C 3.54Å; A923-A1012 WeakPolarHBondContact O-CB 3.29Å; A923-K1013 PolarHBondContact O-N 3.27Å; A923-K1013 VanDerWaalsContact O-N 3.11Å; A923-E1014 VanDerWaalsContact O-CB 3.32Å; A923-E1014 WeakPolarHBondContact O-CB 3.41Å; A923-E1014 PolarHBondContact O-N 2.95Å
924	T	92.9	Very high	93	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.2	176.5	52.3	0	0	0	0	114.3	T17 F708 H920 K921 E926 K1013	T17-T924 HydrophobicContact CG2-CG2 4.28Å; T17-T924 WeakPolarHBondContact OG1-CG2 3.5Å; F708-T924 WeakPolarHBondContact CZ-O 3.25Å; H920-T924 PolarHBondContact O-N 3.36Å; H920-T924 PolarHBondContact O-OG1 3.14Å; K921-T924 WeakPolarHBondContact CA-OG1 3.41Å; K921-T924 PolarHBondContact O-OG1 3.41Å; T924-E926 VanDerWaalsContact C-N 3.34Å; T924-E926 WeakPolarHBondContact CB-OE1 3.47Å; T924-E926 WeakPolarHBondContact OG1-CG 3.26Å; T924-E926 PolarHBondContact OG1-OE1 3.31Å; T924-K1013 WeakPolarHBondContact O-CB 3.44Å
925	G	94.4	Very high	93.3	Very high	4 Å²	4	42.9 Å²	42.9	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	12.7	-173.1	0	0	0	0	0	113.9	M818 K921 A922 A923	M818-G925 WeakPolarHBondContact CG-O 3.11Å; K921-G925 PolarHBondContact O-N 3.45Å; A922-G925 PolarHBondContact O-N 3.49Å; A923-G925 VanDerWaalsContact C-N 3.26Å; A923-G925 PolarHBondContact O-N 3.25Å
926	E	95.9	Very high	93.5	Very high	31 Å²	31	43.1 Å²	43.1	15%	0.145	22%	0.218	C	C	.	.	S	Bend	trans	-78.1	-22.7	176.4	-74.4	176	-96.7	0	0	113.1	T706 N707 F708 K921 T924	T706-E926 WeakPolarHBondContact CA-OE2 3.47Å; T706-E926 WeakPolarHBondContact CB-OE2 3.41Å; N707-E926 HydrophobicContact CB-CB 3.77Å; N707-E926 HydrophobicContact CB-CG 4.06Å; N707-E926 PolarHBondContact N-OE2 3.26Å; N707-E926 PolarHBondContact ND2-O 2.91Å; F708-E926 HydrophobicContact CD2-CG 3.71Å; F708-E926 HydrophobicContact CE2-CG 3.33Å; F708-E926 HydrophobicContact CZ-CG 3.89Å; K921-E926 HydrophobicContact CB-CB 4.13Å; K921-E926 HydrophobicContact CG-CB 4.44Å; K921-E926 WeakPolarHBondContact O-CA 3.37Å; K921-E926 WeakPolarHBondContact O-CB 3.21Å; K921-E926 PolarHBondContact O-N 3.46Å; T924-E926 VanDerWaalsContact C-N 3.34Å; T924-E926 WeakPolarHBondContact CB-OE1 3.47Å; T924-E926 WeakPolarHBondContact OG1-CG 3.26Å; T924-E926 PolarHBondContact OG1-OE1 3.31Å
927	E	96.2	Very high	93.9	Very high	71 Å²	71	41.2 Å²	41.2	33%	0.332	21%	0.205	S	C	.	.	S	Bend	trans	-141.8	152.5	179.4	-64.2	177.3	-176.9	0	0	109.5	N707 H919 K921 A922	N707-E927 WeakPolarHBondContact ND2-CG 3.32Å; N707-E927 PolarHBondContact ND2-OE1 3.49Å; H919-E927 IonicContact CE1-OE2 2.7Å; H919-E927 PolarHBondContact CE1-OE2 2.68Å; K921-E927 HydrophobicContact CB-CB 4.3Å; K921-E927 HydrophobicContact CB-CG 4.03Å; K921-E927 HydrophobicContact CD-CG 4.12Å; K921-E927 WeakPolarHBondContact CD-OE1 3.46Å; K921-E927 IonicContact NZ-OE1 3.15Å; K921-E927 PolarHBondContact NZ-OE1 2.79Å; K921-E927 PolarHBondContact O-N 3.47Å; K921-E927 VanDerWaalsContact O-N 3.15Å; A922-E927 VanDerWaalsContact CA-O 3.24Å; A922-E927 WeakPolarHBondContact CA-O 3.37Å; A922-E927 WeakPolarHBondContact CB-O 3.41Å
928	I	95	Very high	94	Very high	55 Å²	55	35.9 Å²	35.9	28%	0.282	19%	0.189	S	C	.	.			trans	-80.5	134.6	178.8	-60.8	164.7	0	0	0	108.9	R820 H821 A845 N930	R820-I928 HydrophobicContact CB-CD1 4.03Å; H821-I928 HydrophobicContact CB-CG2 4.22Å; A845-I928 HydrophobicContact CB-CG2 3.78Å; I928-N930 PolarHBondContact O-N 2.99Å
929	P	94	Very high	94.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.169	C	C	.	.			trans	-58.1	126.8	173.1	-24.6	34.1	0	0	0	113	H821 A922 L933 E1014	H821-P929 WeakPolarHBondContact ND1-CD 3.46Å; A922-P929 HydrophobicContact CB-CG 4.1Å; P929-L933 HydrophobicContact CB-CD1 3.76Å; P929-L933 HydrophobicContact CB-CG 4.2Å; P929-L933 HydrophobicContact CG-CD1 3.79Å; P929-E1014 HydrophobicContact CG-CG 4.08Å
930	N	90	Very high	94.4	Very high	139 Å²	139	29.7 Å²	29.7	74%	0.743	16%	0.158	S	C	*	.			trans	-90	-6.3	177	-65.7	-46.7	0	0	0	113.7	I928	I928-N930 PolarHBondContact O-N 2.99Å
931	S	91.9	Very high	94.5	Very high	32 Å²	32	33.3 Å²	33.3	22%	0.224	18%	0.175	C	C	.	.	S	Bend	trans	-102.3	157.9	179.9	51.7	0	0	0	0	111.9	Q910 L933	Q910-S931 PolarHBondContact OE1-OG 3.05Å; S931-L933 PolarHBondContact O-N 3.04Å; S931-L933 WeakPolarHBondContact OG-CD2 3.47Å
932	V	94.2	Very high	94.6	Very high	22 Å²	22	30 Å²	30	13%	0.133	16%	0.161	C	C	.	.			trans	-75.3	107.9	170.4	-175.4	0	0	0	0	108.5	M842 T844 I850 V909 Q910	M842-V932 HydrophobicContact CB-CG1 4Å; M842-V932 HydrophobicContact CG-CG1 4.29Å; M842-V932 HydrophobicContact SD-CG1 3.94Å; T844-V932 HydrophobicContact CG2-CG2 4.46Å; I850-V932 HydrophobicContact CD1-CG1 3.76Å; I850-V932 HydrophobicContact CD1-CG2 4Å; V909-V932 WeakPolarHBondContact CA-O 3.48Å; V909-V932 HydrophobicContact CB-CG1 4.48Å; V909-V932 HydrophobicContact CG1-CB 4.23Å; V909-V932 HydrophobicContact CG1-CG1 3.96Å; Q910-V932 PolarHBondContact N-O 3.17Å
933	L	95.5	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.5	-177.2	-63.2	-173.8	0	0	0	111.1	M842 N843 Q910 P929 S931 E1014	M842-L933 WeakPolarHBondContact CA-O 3.45Å; N843-L933 PolarHBondContact N-O 3.23Å; N843-L933 PolarHBondContact O-N 3.11Å; Q910-L933 HydrophobicContact CB-CD2 4.18Å; P929-L933 HydrophobicContact CB-CD1 3.76Å; P929-L933 HydrophobicContact CB-CG 4.2Å; P929-L933 HydrophobicContact CG-CD1 3.79Å; S931-L933 PolarHBondContact O-N 3.04Å; S931-L933 WeakPolarHBondContact OG-CD2 3.47Å; L933-E1014 WeakPolarHBondContact CD1-OE1 3.33Å
934	L	95.8	Very high	94.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.6	177.7	-172.6	147.8	0	0	0	110.9	L840 M842 I890 I894 V909 Q910 G912 Q939	L840-L934 HydrophobicContact CD1-CD1 4.3Å; L840-L934 HydrophobicContact CD1-CD2 3.65Å; L840-L934 HydrophobicContact CD1-CG 3.9Å; M842-L934 HydrophobicContact CE-CD1 4.23Å; I890-L934 HydrophobicContact CD1-CD1 4.16Å; I890-L934 HydrophobicContact CG1-CD1 4.21Å; I890-L934 HydrophobicContact CG2-CD1 3.54Å; I890-L934 HydrophobicContact CG2-CD2 3.76Å; I890-L934 HydrophobicContact CG2-CG 4.25Å; I894-L934 HydrophobicContact CD1-CD2 4.11Å; I894-L934 HydrophobicContact CG1-CD2 4.32Å; V909-L934 HydrophobicContact CB-CB 4.46Å; V909-L934 HydrophobicContact CG2-CB 4.31Å; V909-L934 HydrophobicContact CG2-CD1 3.8Å; Q910-L934 WeakPolarHBondContact O-CB 3.27Å; Q910-L934 PolarHBondContact O-N 3.23Å; G912-L934 WeakPolarHBondContact CA-O 3.35Å; G912-L934 PolarHBondContact N-O 3.49Å; L934-Q939 PolarHBondContact O-NE2 3.24Å
935	T	96.2	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.7	-175.6	-49	0	0	0	0	110.1	I841 Q939 Y940 R1018 L1022	I841-T935 PolarHBondContact N-O 3.39Å; I841-T935 PolarHBondContact O-N 3.02Å; T935-Q939 VanDerWaalsContact CA-OE1 3.28Å; T935-Y940 HydrophobicContact CG2-CE2 4.35Å; T935-R1018 HydrophobicContact CG2-CG 4.29Å; T935-R1018 VanDerWaalsContact OG1-CD 3.26Å; T935-R1018 WeakPolarHBondContact OG1-CD 3.46Å; T935-R1018 WeakPolarHBondContact OG1-CG 3.44Å; T935-R1018 PolarHBondContact OG1-NH1 3.29Å; T935-L1022 HydrophobicContact CG2-CD1 3.92Å; T935-L1022 HydrophobicContact CG2-CD2 4.2Å; T935-L1022 HydrophobicContact CG2-CG 4.08Å
936	S	95.8	Very high	94.4	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.4	-176.2	79.4	0	0	0	0	114	C839 I894 A938 Q939 Y940 L1022	C839-S936 CarbonylContact O-C 3.57Å; C839-S936 VanDerWaalsContact O-CA 3.25Å; C839-S936 WeakPolarHBondContact O-CA 3.36Å; I894-S936 WeakPolarHBondContact CD1-OG 3.36Å; S936-A938 VanDerWaalsContact C-N 3.29Å; S936-A938 PolarHBondContact O-N 3.4Å; S936-A938 PolarHBondContact OG-N 2.97Å; S936-Q939 WeakPolarHBondContact O-CB 3.33Å; S936-Q939 PolarHBondContact O-N 3.04Å; S936-Q939 PolarHBondContact OG-N 3.33Å; S936-Y940 WeakPolarHBondContact O-CD2 3.38Å; S936-L1022 VanDerWaalsContact C-CD1 3.44Å; S936-L1022 VanDerWaalsContact O-CD1 3.23Å; S936-L1022 WeakPolarHBondContact O-CD1 3.5Å
937	R	95.7	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.7	172.4	-79.2	-175	177.7	-153.6	-6.5	113.1	S838 C839 Q939 Y940 Q941 L942 P943 D944 A946 L1022 D1024	S838-R937 PolarHBondContact O-NE 2.99Å; S838-R937 VanDerWaalsContact O-NE 3.1Å; S838-R937 PolarHBondContact OG-NH2 3.12Å; C839-R937 PolarHBondContact O-N 3.46Å; R937-Q939 VanDerWaalsContact C-N 3.29Å; R937-Q939 PolarHBondContact O-N 2.94Å; R937-Y940 CarbonylContact O-C 3.56Å; R937-Y940 PolarHBondContact O-N 3.48Å; R937-Q941 PolarHBondContact O-N 3.43Å; R937-L942 HydrophobicContact CB-CB 3.82Å; R937-L942 HydrophobicContact CG-CB 3.99Å; R937-L942 HydrophobicContact CG-CD1 4.31Å; R937-L942 PolarHBondContact O-N 2.97Å; R937-P943 WeakPolarHBondContact CD-O 3.46Å; R937-P943 PolarHBondContact NH1-O 3.42Å; R937-D944 VanDerWaalsContact CB-OD1 3.3Å; R937-D944 WeakPolarHBondContact CB-OD1 3.49Å; R937-D944 WeakPolarHBondContact CD-OD1 3.45Å; R937-A946 PolarHBondContact NH1-O 2.98Å; R937-L1022 HydrophobicContact CG-CB 4.29Å; R937-L1022 HydrophobicContact CG-CD2 4.44Å; R937-L1022 PolarHBondContact NE-O 2.91Å; R937-L1022 PolarHBondContact NH2-O 2.76Å; R937-D1024 IonicContact CZ-OD2 2.84Å; R937-D1024 IonicContact NH1-OD2 3.66Å; R937-D1024 IonicContact NH2-OD1 2.71Å; R937-D1024 IonicContact NH2-OD2 3.97Å; R937-D1024 PolarHBondContact NH2-OD2 3.19Å
938	A	93.3	Very high	94.6	Very high	49 Å²	49	34.7 Å²	34.7	41%	0.405	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59	-35	177.5	0	0	0	0	0	113.4	I894 S936 Y940 Q941	I894-A938 HydrophobicContact CG2-CB 4.16Å; S936-A938 VanDerWaalsContact C-N 3.29Å; S936-A938 PolarHBondContact O-N 3.4Å; S936-A938 PolarHBondContact OG-N 2.97Å; A938-Y940 PolarHBondContact O-N 3.46Å; A938-Q941 PolarHBondContact O-N 3Å
939	Q	94.9	Very high	94.8	Very high	20 Å²	20	32 Å²	32	9%	0.093	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.5	174.8	-74.2	166.3	-20.7	0	0	113.1	I894 N911 L913 L934 T935 S936 R937	I894-Q939 HydrophobicContact CG1-CG 4.21Å; I894-Q939 HydrophobicContact CG2-CG 3.78Å; N911-Q939 PolarHBondContact OD1-NE2 3.23Å; L913-Q939 HydrophobicContact CD1-CB 3.81Å; L913-Q939 HydrophobicContact CD1-CG 3.94Å; L913-Q939 HydrophobicContact CD2-CB 4.43Å; L913-Q939 HydrophobicContact CG-CB 4.05Å; L913-Q939 HydrophobicContact CG-CG 4.05Å; L934-Q939 PolarHBondContact O-NE2 3.24Å; T935-Q939 VanDerWaalsContact CA-OE1 3.28Å; S936-Q939 WeakPolarHBondContact O-CB 3.33Å; S936-Q939 PolarHBondContact O-N 3.04Å; S936-Q939 PolarHBondContact OG-N 3.33Å; R937-Q939 VanDerWaalsContact C-N 3.29Å; R937-Q939 PolarHBondContact O-N 2.94Å
940	Y	95.3	Very high	95	Very high	14 Å²	14	32 Å²	32	6%	0.055	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-113.6	14.4	-176.1	-57.1	-79.3	0	0	0	113.2	L913 T935 S936 R937 A938 L942 W979 E1015 R1019 L1022	L913-Y940 HydrophobicContact CD2-CE1 3.8Å; T935-Y940 HydrophobicContact CG2-CE2 4.35Å; S936-Y940 WeakPolarHBondContact O-CD2 3.38Å; R937-Y940 CarbonylContact O-C 3.56Å; R937-Y940 PolarHBondContact O-N 3.48Å; A938-Y940 PolarHBondContact O-N 3.46Å; Y940-L942 PolarHBondContact O-N 3.32Å; Y940-W979 HydrophobicContact CD1-CH2 4.35Å; Y940-W979 AromaticContact CD1-CZ2 3.78Å; Y940-W979 HydrophobicContact CD1-CZ2 3.78Å; Y940-W979 HydrophobicContact CD2-CH2 4.03Å; Y940-W979 HydrophobicContact CD2-CZ2 4.19Å; Y940-W979 AromaticContact CG-CH2 3.9Å; Y940-W979 HydrophobicContact CG-CH2 3.9Å; Y940-W979 AromaticContact CG-CZ2 3.57Å; Y940-W979 HydrophobicContact CG-CZ2 3.57Å; Y940-E1015 VanDerWaalsContact OH-CG 3.27Å; Y940-E1015 WeakPolarHBondContact OH-CG 3.5Å; Y940-E1015 PolarHBondContact OH-OE1 3.44Å; Y940-R1019 HydrophobicContact CE1-CB 4.43Å; Y940-R1019 HydrophobicContact CE2-CB 3.8Å; Y940-L1022 HydrophobicContact CD2-CD1 3.48Å; Y940-L1022 VanDerWaalsContact CD2-CD1 3.48Å; Y940-L1022 HydrophobicContact CE2-CD1 3.69Å
941	Q	93.5	Very high	95.4	Very high	174 Å²	174	25.5 Å²	25.5	81%	0.813	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	33.1	-179.5	-54.7	170.1	9.9	0	0	113	R937 A938	R937-Q941 PolarHBondContact O-N 3.43Å; A938-Q941 PolarHBondContact O-N 3Å
942	L	95.8	Very high	95.7	Very high	10 Å²	10	24 Å²	24	5%	0.052	13%	0.132	C	C	.	.			trans	-93.8	143.4	178.2	-53.7	170.2	0	0	0	110.2	R937 Y940 V948 I977 W979 V1006	R937-L942 HydrophobicContact CB-CB 3.82Å; R937-L942 HydrophobicContact CG-CB 3.99Å; R937-L942 HydrophobicContact CG-CD1 4.31Å; R937-L942 PolarHBondContact O-N 2.97Å; Y940-L942 PolarHBondContact O-N 3.32Å; L942-V948 HydrophobicContact CB-CG2 4.37Å; L942-V948 HydrophobicContact CD1-CG1 4.42Å; L942-I977 HydrophobicContact CD2-CD1 3.81Å; L942-W979 HydrophobicContact CD1-CD2 3.85Å; L942-W979 HydrophobicContact CD1-CE3 3.58Å; L942-W979 HydrophobicContact CD1-CH2 3.75Å; L942-W979 HydrophobicContact CD1-CZ2 4.01Å; L942-W979 HydrophobicContact CD1-CZ3 3.52Å; L942-W979 HydrophobicContact CD2-CB 4.23Å; L942-W979 HydrophobicContact CD2-CD2 3.81Å; L942-W979 HydrophobicContact CD2-CE3 4.28Å; L942-W979 HydrophobicContact CD2-CG 3.78Å; L942-W979 HydrophobicContact CG-CD2 4.43Å; L942-V1006 HydrophobicContact CD2-CB 4.24Å; L942-V1006 HydrophobicContact CD2-CG1 3.93Å; L942-V1006 HydrophobicContact CD2-CG2 4.48Å
943	P	94	Very high	95.7	Very high	40 Å²	40	23.1 Å²	23.1	26%	0.26	13%	0.127	S	C	.	.			trans	-76.7	137.3	175.7	30.9	-36.2	0	0	0	112.5	R937 A946 I977	R937-P943 WeakPolarHBondContact CD-O 3.46Å; R937-P943 PolarHBondContact NH1-O 3.42Å; P943-A946 HydrophobicContact CB-CB 4.17Å; P943-A946 HydrophobicContact CG-CB 3.67Å; P943-I977 HydrophobicContact CG-CG1 4.22Å; P943-I977 HydrophobicContact CG-CG2 4.2Å
944	D	92.2	Very high	95.6	Very high	53 Å²	53	23.8 Å²	23.8	28%	0.283	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.1	175.5	-66.8	-40.7	0	0	0	113	C839 R937	C839-D944 HydrophobicContact CB-CB 4.5Å; C839-D944 WeakPolarHBondContact CB-OD1 3.48Å; R937-D944 VanDerWaalsContact CB-OD1 3.3Å; R937-D944 WeakPolarHBondContact CB-OD1 3.49Å; R937-D944 WeakPolarHBondContact CD-OD1 3.45Å
945	D	91.9	Very high	95.6	Very high	102 Å²	102	23.9 Å²	23.9	55%	0.545	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6	-174.3	85.4	-50	0	0	0	115.1	K975	D945-K975 IonicContact OD2-NZ 2.74Å; D945-K975 PolarHBondContact OD2-NZ 3.08Å
946	A	94.9	Very high	95.5	Very high	7 Å²	7	25 Å²	25	6%	0.058	14%	0.135	C	C	.	.	S	Bend	trans	-122.7	160.4	-178.2	0	0	0	0	0	112.9	R937 P943 K975	R937-A946 PolarHBondContact NH1-O 2.98Å; P943-A946 HydrophobicContact CB-CB 4.17Å; P943-A946 HydrophobicContact CG-CB 3.67Å; A946-K975 WeakPolarHBondContact CA-O 3.15Å; A946-K975 WeakPolarHBondContact CB-O 3.31Å
947	I	98.1	Very high	95.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.6	169	-65.3	-78.3	0	0	0	109.4	F949 V973 K975 S976 I977 D1024 G1089 L1095	I947-F949 HydrophobicContact CB-CE2 4.49Å; I947-F949 HydrophobicContact CG2-CD1 4.47Å; I947-F949 HydrophobicContact CG2-CD2 3.82Å; I947-F949 HydrophobicContact CG2-CE1 4.23Å; I947-F949 HydrophobicContact CG2-CE2 3.54Å; I947-F949 HydrophobicContact CG2-CG 4.28Å; I947-F949 HydrophobicContact CG2-CZ 3.76Å; I947-V973 HydrophobicContact CB-CG1 4.43Å; I947-V973 HydrophobicContact CG1-CG1 4.27Å; I947-K975 PolarHBondContact N-O 3.07Å; I947-S976 CarbonylContact O-C 3.58Å; I947-S976 WeakPolarHBondContact O-CA 3.31Å; I947-S976 VanDerWaalsContact O-CB 3.3Å; I947-S976 WeakPolarHBondContact O-CB 3.44Å; I947-I977 PolarHBondContact O-N 2.98Å; I947-D1024 WeakPolarHBondContact CA-OD2 3.45Å; I947-D1024 HydrophobicContact CD1-CB 4.25Å; I947-D1024 HydrophobicContact CG2-CB 4.16Å; I947-G1089 WeakPolarHBondContact CG1-O 3.5Å; I947-L1095 HydrophobicContact CD1-CD2 3.77Å
948	V	98.5	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	99.9	172.5	175.7	0	0	0	0	108.5	L942 I977 W979 A1023 D1024 V1025	L942-V948 HydrophobicContact CB-CG2 4.37Å; L942-V948 HydrophobicContact CD1-CG1 4.42Å; V948-I977 HydrophobicContact CB-CD1 4.4Å; V948-I977 HydrophobicContact CG1-CD1 4.04Å; V948-I977 HydrophobicContact CG2-CD1 4.09Å; V948-I977 HydrophobicContact CG2-CG1 4.11Å; V948-W979 HydrophobicContact CG1-CB 4.07Å; V948-W979 HydrophobicContact CG1-CE3 3.91Å; V948-A1023 HydrophobicContact CG1-CB 4.13Å; V948-D1024 PolarHBondContact N-OD2 2.8Å; V948-D1024 PolarHBondContact O-N 3.08Å; V948-V1025 PolarHBondContact O-N 3.37Å
949	F	98.8	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.4	162	-68.5	-72.6	0	0	0	108.8	I947 I969 L970 V973 I977 L978 W979 V1025 L1027 A1085	I947-F949 HydrophobicContact CB-CE2 4.49Å; I947-F949 HydrophobicContact CG2-CD1 4.47Å; I947-F949 HydrophobicContact CG2-CD2 3.82Å; I947-F949 HydrophobicContact CG2-CE1 4.23Å; I947-F949 HydrophobicContact CG2-CE2 3.54Å; I947-F949 HydrophobicContact CG2-CG 4.28Å; I947-F949 HydrophobicContact CG2-CZ 3.76Å; F949-I969 HydrophobicContact CD2-CG2 4.21Å; F949-I969 HydrophobicContact CE1-CG2 4.06Å; F949-I969 HydrophobicContact CE2-CG2 3.63Å; F949-I969 HydrophobicContact CZ-CG2 3.55Å; F949-L970 HydrophobicContact CD2-CD2 4.05Å; F949-V973 HydrophobicContact CE2-CB 4.29Å; F949-V973 HydrophobicContact CE2-CG1 4.37Å; F949-V973 HydrophobicContact CE2-CG2 4.27Å; F949-V973 HydrophobicContact CZ-CG2 4.29Å; F949-I977 PolarHBondContact N-O 3.21Å; F949-L978 HydrophobicContact CB-CD1 4.09Å; F949-L978 CarbonylContact O-C 3.47Å; F949-L978 WeakPolarHBondContact O-CA 3.5Å; F949-W979 PolarHBondContact O-N 3.19Å; F949-V1025 CarbonylContact C-O 3.6Å; F949-V1025 VanDerWaalsContact CA-O 3.25Å; F949-V1025 WeakPolarHBondContact CA-O 3.46Å; F949-V1025 HydrophobicContact CD1-CB 3.78Å; F949-V1025 HydrophobicContact CD1-CG1 4.09Å; F949-V1025 HydrophobicContact CE1-CB 3.92Å; F949-V1025 HydrophobicContact CE1-CG1 4.12Å; F949-V1025 HydrophobicContact CE1-CG2 4.23Å; F949-L1027 HydrophobicContact CB-CD1 3.85Å; F949-L1027 HydrophobicContact CB-CG 4.11Å; F949-L1027 HydrophobicContact CD1-CD1 3.81Å; F949-L1027 HydrophobicContact CD1-CD2 3.73Å; F949-L1027 HydrophobicContact CD1-CG 3.73Å; F949-L1027 HydrophobicContact CE1-CD2 4.12Å; F949-L1027 HydrophobicContact CG-CD1 3.9Å; F949-L1027 HydrophobicContact CG-CG 4.21Å; F949-A1085 HydrophobicContact CE1-CB 4.29Å; F949-A1085 WeakPolarHBondContact CZ-O 3.45Å
950	C	98.7	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.1	177.2	76	0	0	0	0	114.2	F952 W979 A1023 V1025 C1026 L1027	C950-F952 HydrophobicContact CB-CD1 4.46Å; C950-F952 HydrophobicContact CB-CE1 3.94Å; C950-F952 HydrophobicContact CB-CZ 4.22Å; C950-W979 CarbonylContact C-O 3.58Å; C950-W979 VanDerWaalsContact CA-O 3.28Å; C950-W979 WeakPolarHBondContact CA-O 3.35Å; C950-W979 HydrophobicContact CB-CB 4.27Å; C950-W979 HydrophobicContact CB-CE3 4.38Å; C950-A1023 HydrophobicContact CB-CB 3.8Å; C950-A1023 WeakPolarHBondContact SG-CB 3.46Å; C950-V1025 PolarHBondContact N-O 3.39Å; C950-C1026 CarbonylContact O-C 3.52Å; C950-C1026 VanDerWaalsContact O-CA 3.31Å; C950-C1026 WeakPolarHBondContact O-CA 3.42Å; C950-C1026 PolarHBondContact O-SG 3.06Å; C950-L1027 PolarHBondContact O-N 3.02Å
951	N	98.6	Very high	96	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.011	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	119.6	158.7	-173.7	-49.5	0	0	0	109.4	N953 W966 W979 L980 L981 L1027	N951-N953 WeakPolarHBondContact OD1-CB 3.48Å; N951-N953 PolarHBondContact OD1-N 3.01Å; N951-N953 PolarHBondContact OD1-ND2 3.24Å; N951-W966 HydrophobicContact CB-CH2 3.77Å; N951-W966 HydrophobicContact CB-CZ2 4.24Å; N951-W966 HydrophobicContact CB-CZ3 4.46Å; N951-W966 WeakPolarHBondContact ND2-CH2 3.46Å; N951-W979 PolarHBondContact N-O 3.08Å; N951-L980 HydrophobicContact CB-CD2 3.92Å; N951-L980 WeakPolarHBondContact O-CA 3.48Å; N951-L981 PolarHBondContact O-N 3.03Å; N951-L1027 PolarHBondContact ND2-O 3.41Å
952	F	97.6	Very high	96.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.			trans	-103.6	18.4	-177.5	-60.6	-22.1	0	0	0	114.2	C950 W979 L981 R1019 T1037 I1041	C950-F952 HydrophobicContact CB-CD1 4.46Å; C950-F952 HydrophobicContact CB-CE1 3.94Å; C950-F952 HydrophobicContact CB-CZ 4.22Å; F952-W979 AromaticContact CE1-CD2 3.76Å; F952-W979 HydrophobicContact CE1-CD2 3.76Å; F952-W979 AromaticContact CE1-CE3 3.8Å; F952-W979 HydrophobicContact CE1-CE3 3.8Å; F952-W979 HydrophobicContact CE1-CG 4.24Å; F952-W979 HydrophobicContact CE1-CH2 4.46Å; F952-W979 HydrophobicContact CE1-CZ2 4.4Å; F952-W979 HydrophobicContact CE1-CZ3 4.17Å; F952-W979 HydrophobicContact CZ-CD2 4.02Å; F952-W979 AromaticContact CZ-CE3 3.62Å; F952-W979 HydrophobicContact CZ-CE3 3.62Å; F952-W979 AromaticContact CZ-CH2 3.87Å; F952-W979 HydrophobicContact CZ-CH2 3.87Å; F952-W979 HydrophobicContact CZ-CZ2 4.23Å; F952-W979 AromaticContact CZ-CZ3 3.55Å; F952-W979 HydrophobicContact CZ-CZ3 3.55Å; F952-L981 WeakPolarHBondContact O-CD2 3.5Å; F952-R1019 HydrophobicContact CE2-CG 4.03Å; F952-R1019 HydrophobicContact CZ-CG 4.19Å; F952-T1037 HydrophobicContact CB-CG2 3.95Å; F952-I1041 HydrophobicContact CD2-CD1 3.81Å; F952-I1041 HydrophobicContact CE2-CD1 4.01Å
953	N	95.7	Very high	96.3	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	9%	0.092	C	C	.	.	S	Bend	trans	-70.9	163.1	170.3	-71.5	-84.2	0	0	0	111.1	N951 K957 G1034	N951-N953 WeakPolarHBondContact OD1-CB 3.48Å; N951-N953 PolarHBondContact OD1-N 3.01Å; N951-N953 PolarHBondContact OD1-ND2 3.24Å; N953-K957 HydrophobicContact CB-CB 4.49Å; N953-K957 HydrophobicContact CB-CD 3.98Å; N953-K957 HydrophobicContact CB-CG 4.49Å; N953-K957 WeakPolarHBondContact OD1-CD 3.43Å; N953-K957 WeakPolarHBondContact OD1-CE 3.39Å; N953-K957 PolarHBondContact OD1-NZ 3.03Å; N953-G1034 VanDerWaalsContact OD1-CA 3.29Å; N953-G1034 WeakPolarHBondContact OD1-CA 3.42Å
954	Q	93	Very high	96.5	Very high	15 Å²	15	17.4 Å²	17.4	7%	0.07	10%	0.095	C	C	.	.			trans	-64.2	142.2	163.5	-52.4	-167.6	6.5	0	0	109.9	Y956 K957 F983	Q954-Y956 HydrophobicContact CB-CD1 3.64Å; Q954-Y956 HydrophobicContact CB-CE1 3.7Å; Q954-Y956 HydrophobicContact CG-CE1 4.25Å; Q954-Y956 PolarHBondContact O-N 3.42Å; Q954-K957 PolarHBondContact O-N 2.93Å; Q954-F983 HydrophobicContact CB-CD1 4.15Å; Q954-F983 HydrophobicContact CG-CD1 3.7Å; Q954-F983 HydrophobicContact CG-CE1 4.17Å
955	L	95.8	Very high	96.8	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-63.2	-22.3	-167.3	-61.5	177.3	0	0	0	113.9	C581 K957 I958 L981 F983 I991 F1007	C581-L955 PolarHBondContact SG-O 3.01Å; L955-K957 PolarHBondContact O-N 3.42Å; L955-I958 HydrophobicContact CD2-CD1 3.7Å; L955-I958 WeakPolarHBondContact O-CB 3.22Å; L955-I958 PolarHBondContact O-N 3.39Å; L955-L981 WeakPolarHBondContact CD2-O 3.36Å; L955-F983 WeakPolarHBondContact CG-O 3.36Å; L955-F983 PolarHBondContact N-O 3.13Å; L955-I991 HydrophobicContact CD1-CD1 4.09Å; L955-I991 HydrophobicContact CD2-CD1 3.78Å; L955-I991 HydrophobicContact CG-CD1 4.35Å; L955-F1007 HydrophobicContact CD1-CE1 4.1Å; L955-F1007 HydrophobicContact CD2-CE1 4.13Å
956	Y	93.5	Very high	97.1	Very high	24 Å²	24	10.6 Å²	10.6	9%	0.094	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-58	-19.7	177.4	79	-108.4	0	0	0	114.7	Q578 L616 Q954 I958	Q578-Y956 PolarHBondContact NE2-O 3.4Å; L616-Y956 HydrophobicContact CD1-CD2 3.59Å; L616-Y956 HydrophobicContact CD1-CE2 3.99Å; L616-Y956 HydrophobicContact CD2-CD2 3.85Å; L616-Y956 HydrophobicContact CD2-CE2 3.95Å; L616-Y956 HydrophobicContact CG-CD2 4.37Å; Q954-Y956 HydrophobicContact CB-CD1 3.64Å; Q954-Y956 HydrophobicContact CB-CE1 3.7Å; Q954-Y956 HydrophobicContact CG-CE1 4.25Å; Q954-Y956 PolarHBondContact O-N 3.42Å; Y956-I958 VanDerWaalsContact C-N 3.3Å
957	K	97	Very high	97.3	Very high	15 Å²	15	10.5 Å²	10.5	7%	0.065	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-80.2	-11.9	177.4	-59.6	-165.7	-170.2	177	0	113.4	N953 Q954 L955 T1029 C1032 N1033	N953-K957 HydrophobicContact CB-CB 4.49Å; N953-K957 HydrophobicContact CB-CD 3.98Å; N953-K957 HydrophobicContact CB-CG 4.49Å; N953-K957 WeakPolarHBondContact OD1-CD 3.43Å; N953-K957 WeakPolarHBondContact OD1-CE 3.39Å; N953-K957 PolarHBondContact OD1-NZ 3.03Å; Q954-K957 PolarHBondContact O-N 2.93Å; L955-K957 PolarHBondContact O-N 3.42Å; K957-T1029 HydrophobicContact CB-CG2 4.09Å; K957-T1029 WeakPolarHBondContact O-CB 3.36Å; K957-T1029 WeakPolarHBondContact O-CG2 3.49Å; K957-C1032 HydrophobicContact CB-CB 4.49Å; K957-C1032 HydrophobicContact CD-CB 4.11Å; K957-C1032 VanDerWaalsContact CD-O 3.32Å; K957-C1032 WeakPolarHBondContact CD-O 3.43Å; K957-C1032 HydrophobicContact CG-CB 4.21Å; K957-N1033 PolarHBondContact NZ-O 3.01Å
958	I	97.5	Very high	97.3	Very high	3 Å²	3	14 Å²	14	2%	0.015	7%	0.072	C	C	.	.			trans	-86	133.7	176	-49.9	168.2	0	0	0	108.2	Q578 W583 L955 Y956 T962 L963 W966 I991 T1029	Q578-I958 PolarHBondContact NE2-O 2.88Å; W583-I958 HydrophobicContact CH2-CG2 3.79Å; W583-I958 HydrophobicContact CZ2-CB 4.37Å; W583-I958 HydrophobicContact CZ2-CG2 4.09Å; W583-I958 WeakPolarHBondContact CZ2-O 3.45Å; L955-I958 HydrophobicContact CD2-CD1 3.7Å; L955-I958 WeakPolarHBondContact O-CB 3.22Å; L955-I958 PolarHBondContact O-N 3.39Å; Y956-I958 VanDerWaalsContact C-N 3.3Å; I958-T962 HydrophobicContact CG2-CG2 4.43Å; I958-L963 HydrophobicContact CG2-CB 4.15Å; I958-W966 HydrophobicContact CD1-CH2 4.11Å; I958-W966 HydrophobicContact CD1-CZ3 3.77Å; I958-W966 HydrophobicContact CG1-CH2 3.9Å; I958-W966 HydrophobicContact CG1-CZ3 3.96Å; I958-W966 HydrophobicContact CG2-CZ3 4.16Å; I958-I991 HydrophobicContact CD1-CD1 4.06Å; I958-T1029 HydrophobicContact CG1-CG2 3.89Å
959	D	96.6	Very high	97.3	Very high	17 Å²	17	14 Å²	14	9%	0.091	7%	0.072	C	C	.	.			trans	-117.4	166.5	169.3	82	-45.6	0	0	0	110.2	S961 T962 L963 L1031	D959-S961 PolarHBondContact O-N 3.31Å; D959-S961 VanDerWaalsContact O-N 3.15Å; D959-S961 WeakPolarHBondContact OD2-CB 3.39Å; D959-S961 PolarHBondContact OD2-N 3.36Å; D959-T962 PolarHBondContact O-N 3.12Å; D959-T962 WeakPolarHBondContact OD1-CB 3.48Å; D959-T962 PolarHBondContact OD1-N 2.89Å; D959-T962 PolarHBondContact OD1-OG1 2.96Å; D959-L963 PolarHBondContact O-N 3.24Å; D959-L963 VanDerWaalsContact O-N 3.1Å; D959-L1031 HydrophobicContact CB-CD2 4.04Å
960	P	97.4	Very high	97.3	Very high	19 Å²	19	14.2 Å²	14.2	12%	0.123	7%	0.073	C	C	.	.	H	α-helix	trans	-46.8	-44.2	175.6	-32	37.7	0	0	0	113	W583 Y586 T962 L963 D964 Y994	W583-P960 HydrophobicContact CB-CG 4.02Å; W583-P960 HydrophobicContact CD2-CG 3.67Å; W583-P960 HydrophobicContact CE3-CB 4.28Å; W583-P960 HydrophobicContact CE3-CG 3.86Å; W583-P960 HydrophobicContact CG-CG 3.74Å; Y586-P960 HydrophobicContact CD1-CG 3.83Å; Y586-P960 HydrophobicContact CD2-CG 4.01Å; Y586-P960 HydrophobicContact CE1-CG 4.11Å; Y586-P960 HydrophobicContact CE2-CG 4.28Å; Y586-P960 HydrophobicContact CG-CG 3.78Å; P960-T962 PolarHBondContact O-N 3.04Å; P960-L963 PolarHBondContact O-N 3.38Å; P960-D964 WeakPolarHBondContact O-CB 3.45Å; P960-D964 PolarHBondContact O-N 3.14Å; P960-Y994 VanDerWaalsContact CA-OH 3.3Å; P960-Y994 WeakPolarHBondContact CA-OH 3.14Å; P960-Y994 HydrophobicContact CB-CE2 4.3Å; P960-Y994 VanDerWaalsContact CB-OH 3.26Å; P960-Y994 WeakPolarHBondContact CB-OH 3.41Å; P960-Y994 PolarHBondContact O-OH 3.38Å; P960-Y994 VanDerWaalsContact O-OH 3.09Å
961	S	96.6	Very high	97.2	Very high	36 Å²	36	19.2 Å²	19.2	25%	0.252	10%	0.096	S	C	.	.	H	α-helix	trans	-73.7	-25.1	-175.6	-157.4	0	0	0	0	113.6	D959 M965 R1078	D959-S961 PolarHBondContact O-N 3.31Å; D959-S961 VanDerWaalsContact O-N 3.15Å; D959-S961 WeakPolarHBondContact OD2-CB 3.39Å; D959-S961 PolarHBondContact OD2-N 3.36Å; S961-M965 WeakPolarHBondContact O-CG 3.48Å; S961-M965 PolarHBondContact O-N 3.22Å; S961-R1078 PolarHBondContact O-NH1 3.2Å; S961-R1078 PolarHBondContact OG-NE 3.47Å; S961-R1078 PolarHBondContact OG-NH1 2.89Å; S961-R1078 VanDerWaalsContact OG-NH1 3.11Å; S961-R1078 PolarHBondContact OG-NH2 2.98Å
962	T	98.2	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-72.7	-47.1	170.2	-61.1	0	0	0	0	110.9	I958 D959 P960 D964 M965 W966 T1029	I958-T962 HydrophobicContact CG2-CG2 4.43Å; D959-T962 PolarHBondContact O-N 3.12Å; D959-T962 WeakPolarHBondContact OD1-CB 3.48Å; D959-T962 PolarHBondContact OD1-N 2.89Å; D959-T962 PolarHBondContact OD1-OG1 2.96Å; P960-T962 PolarHBondContact O-N 3.04Å; T962-D964 VanDerWaalsContact C-N 3.3Å; T962-D964 PolarHBondContact O-N 3.27Å; T962-M965 WeakPolarHBondContact O-CB 3.33Å; T962-M965 PolarHBondContact O-N 3.04Å; T962-M965 VanDerWaalsContact O-N 3.14Å; T962-W966 HydrophobicContact CG2-CD2 4.04Å; T962-W966 VanDerWaalsContact CG2-CE2 3.45Å; T962-W966 HydrophobicContact CG2-CE3 4.5Å; T962-W966 HydrophobicContact CG2-CH2 4.04Å; T962-W966 HydrophobicContact CG2-CZ2 3.46Å; T962-W966 VanDerWaalsContact CG2-CZ2 3.46Å; T962-W966 PolarHBondContact O-N 2.68Å; T962-W966 VanDerWaalsContact O-N 3.12Å; T962-T1029 HydrophobicContact CG2-CG2 4.16Å
963	L	97.9	Very high	97.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-33.2	180	-169.8	56	0	0	0	111.8	W583 I958 D959 P960 M965 W966 I967 L978 I991 Y994	W583-L963 HydrophobicContact CH2-CB 4.02Å; W583-L963 HydrophobicContact CH2-CD2 3.94Å; W583-L963 HydrophobicContact CZ3-CB 4.04Å; W583-L963 HydrophobicContact CZ3-CD2 3.74Å; I958-L963 HydrophobicContact CG2-CB 4.15Å; D959-L963 PolarHBondContact O-N 3.24Å; D959-L963 VanDerWaalsContact O-N 3.1Å; P960-L963 PolarHBondContact O-N 3.38Å; L963-M965 VanDerWaalsContact C-N 3.33Å; L963-M965 PolarHBondContact O-N 2.92Å; L963-W966 HydrophobicContact CD1-CB 4.34Å; L963-W966 HydrophobicContact CD1-CE3 3.85Å; L963-W966 PolarHBondContact O-N 2.9Å; L963-I967 HydrophobicContact CG-CD1 4.06Å; L963-I967 HydrophobicContact CG-CG1 4.41Å; L963-I967 VanDerWaalsContact O-CG1 3.29Å; L963-I967 WeakPolarHBondContact O-CG1 3.36Å; L963-I967 PolarHBondContact O-N 3.12Å; L963-L978 HydrophobicContact CD1-CD2 4.36Å; L963-I991 HydrophobicContact CD2-CB 4.48Å; L963-I991 HydrophobicContact CD2-CG1 4.39Å; L963-I991 HydrophobicContact CD2-CG2 3.97Å; L963-Y994 HydrophobicContact CB-CD1 4.42Å; L963-Y994 HydrophobicContact CB-CE1 4.09Å; L963-Y994 HydrophobicContact CD2-CD1 3.54Å; L963-Y994 HydrophobicContact CD2-CE1 4.07Å; L963-Y994 HydrophobicContact CD2-CG 4.29Å; L963-Y994 HydrophobicContact CG-CD1 4.01Å; L963-Y994 HydrophobicContact CG-CE1 4.12Å
964	D	98.1	Very high	97.2	Very high	60 Å²	60	28 Å²	28	32%	0.321	15%	0.149	S	C	.	.	H	α-helix	trans	-58.2	-41.2	171.1	-70.7	-9.9	0	0	0	112.5	P960 T962 K968 Y994 R998	P960-D964 WeakPolarHBondContact O-CB 3.45Å; P960-D964 PolarHBondContact O-N 3.14Å; T962-D964 VanDerWaalsContact C-N 3.3Å; T962-D964 PolarHBondContact O-N 3.27Å; D964-K968 WeakPolarHBondContact O-CB 3.4Å; D964-K968 PolarHBondContact O-N 3.06Å; D964-K968 VanDerWaalsContact O-N 3.1Å; D964-Y994 VanDerWaalsContact OD1-CE1 3.3Å; D964-Y994 WeakPolarHBondContact OD1-CE1 3.41Å; D964-Y994 PolarHBondContact OD1-OH 3.5Å; D964-R998 IonicContact OD1-CZ 2.76Å; D964-R998 IonicContact OD1-NE 2.68Å; D964-R998 PolarHBondContact OD1-NE 2.98Å; D964-R998 IonicContact OD1-NH2 2.64Å; D964-R998 PolarHBondContact OD1-NH2 3.03Å; D964-R998 IonicContact OD2-NH2 3.9Å
965	M	98.5	Very high	97.3	Very high	11 Å²	11	33.6 Å²	33.6	5%	0.054	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-41.4	175	-66.8	-169.8	-48	0	0	111.7	S961 T962 L963 K968 I969 P1030 R1078 Y1081 V1082	S961-M965 WeakPolarHBondContact O-CG 3.48Å; S961-M965 PolarHBondContact O-N 3.22Å; T962-M965 WeakPolarHBondContact O-CB 3.33Å; T962-M965 PolarHBondContact O-N 3.04Å; T962-M965 VanDerWaalsContact O-N 3.14Å; L963-M965 VanDerWaalsContact C-N 3.33Å; L963-M965 PolarHBondContact O-N 2.92Å; M965-K968 PolarHBondContact O-N 3.08Å; M965-I969 VanDerWaalsContact O-CG1 3.31Å; M965-I969 WeakPolarHBondContact O-CG1 3.03Å; M965-I969 PolarHBondContact O-N 2.71Å; M965-P1030 HydrophobicContact CE-CG 3.83Å; M965-R1078 HydrophobicContact CG-CB 4.38Å; M965-R1078 HydrophobicContact SD-CB 3.51Å; M965-R1078 VanDerWaalsContact SD-CB 3.51Å; M965-R1078 HydrophobicContact SD-CG 3.58Å; M965-R1078 VanDerWaalsContact SD-CG 3.58Å; M965-Y1081 HydrophobicContact CB-CD1 4.36Å; M965-Y1081 HydrophobicContact CB-CE1 4.49Å; M965-Y1081 HydrophobicContact CE-CD1 3.68Å; M965-Y1081 HydrophobicContact CE-CD2 4.41Å; M965-Y1081 HydrophobicContact CE-CE1 3.8Å; M965-Y1081 HydrophobicContact CE-CE2 4.47Å; M965-Y1081 HydrophobicContact CE-CG 4.01Å; M965-Y1081 HydrophobicContact SD-CD1 4.03Å; M965-Y1081 HydrophobicContact SD-CG 4.3Å; M965-V1082 HydrophobicContact CB-CG2 3.95Å; M965-V1082 HydrophobicContact CG-CG2 4.23Å
966	W	98.6	Very high	97.4	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-40	179.6	-62	-10.8	0	0	0	112.2	N951 I958 T962 L963 K968 I969 L970 L978 L980 L1027 T1029 Y1081	N951-W966 HydrophobicContact CB-CH2 3.77Å; N951-W966 HydrophobicContact CB-CZ2 4.24Å; N951-W966 HydrophobicContact CB-CZ3 4.46Å; N951-W966 WeakPolarHBondContact ND2-CH2 3.46Å; I958-W966 HydrophobicContact CD1-CH2 4.11Å; I958-W966 HydrophobicContact CD1-CZ3 3.77Å; I958-W966 HydrophobicContact CG1-CH2 3.9Å; I958-W966 HydrophobicContact CG1-CZ3 3.96Å; I958-W966 HydrophobicContact CG2-CZ3 4.16Å; T962-W966 HydrophobicContact CG2-CD2 4.04Å; T962-W966 VanDerWaalsContact CG2-CE2 3.45Å; T962-W966 HydrophobicContact CG2-CE3 4.5Å; T962-W966 HydrophobicContact CG2-CH2 4.04Å; T962-W966 HydrophobicContact CG2-CZ2 3.46Å; T962-W966 VanDerWaalsContact CG2-CZ2 3.46Å; T962-W966 PolarHBondContact O-N 2.68Å; T962-W966 VanDerWaalsContact O-N 3.12Å; L963-W966 HydrophobicContact CD1-CB 4.34Å; L963-W966 HydrophobicContact CD1-CE3 3.85Å; L963-W966 PolarHBondContact O-N 2.9Å; W966-K968 VanDerWaalsContact C-N 3.35Å; W966-K968 PolarHBondContact O-N 3.4Å; W966-I969 WeakPolarHBondContact O-CB 3.17Å; W966-I969 PolarHBondContact O-N 3.25Å; W966-L970 WeakPolarHBondContact O-CG 3.41Å; W966-L970 PolarHBondContact O-N 3.14Å; W966-L978 HydrophobicContact CB-CD2 4.21Å; W966-L978 HydrophobicContact CD2-CD2 4.25Å; W966-L978 HydrophobicContact CE3-CD1 4.43Å; W966-L978 HydrophobicContact CE3-CD2 3.57Å; W966-L978 HydrophobicContact CZ3-CD2 4.23Å; W966-L980 HydrophobicContact CZ3-CD2 3.93Å; W966-L1027 HydrophobicContact CG-CD1 4.08Å; W966-L1027 HydrophobicContact CZ2-CB 4.3Å; W966-L1027 VanDerWaalsContact CZ2-O 3.24Å; W966-L1027 WeakPolarHBondContact CZ2-O 3.41Å; W966-T1029 HydrophobicContact CH2-CG2 3.82Å; W966-T1029 HydrophobicContact CZ2-CG2 3.92Å; W966-Y1081 AromaticContact CD1-CE1 3.95Å; W966-Y1081 AromaticContact NE1-CE1 3.88Å; W966-Y1081 AromaticContact NE1-CZ 3.84Å; W966-Y1081 PolarHBondContact NE1-OH 3.28Å
967	I	98.4	Very high	97.7	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-48.4	171.6	-69.7	164.3	0	0	0	109.8	L963 I969 L970 E971 Y994 R998 L1000	L963-I967 HydrophobicContact CG-CD1 4.06Å; L963-I967 HydrophobicContact CG-CG1 4.41Å; L963-I967 VanDerWaalsContact O-CG1 3.29Å; L963-I967 WeakPolarHBondContact O-CG1 3.36Å; L963-I967 PolarHBondContact O-N 3.12Å; I967-I969 VanDerWaalsContact C-N 3.31Å; I967-I969 PolarHBondContact O-N 3.3Å; I967-L970 PolarHBondContact O-N 3.45Å; I967-L970 VanDerWaalsContact O-N 3.12Å; I967-E971 HydrophobicContact CG2-CG 4.43Å; I967-E971 WeakPolarHBondContact O-CG 3.5Å; I967-E971 PolarHBondContact O-N 3.47Å; I967-Y994 HydrophobicContact CD1-CD1 4.17Å; I967-Y994 HydrophobicContact CD1-CE1 4.23Å; I967-R998 HydrophobicContact CD1-CB 4.1Å; I967-R998 VanDerWaalsContact CD1-CD 3.43Å; I967-R998 HydrophobicContact CD1-CG 4.4Å; I967-R998 HydrophobicContact CG2-CB 4.42Å; I967-L1000 HydrophobicContact CG1-CD2 4.1Å; I967-L1000 HydrophobicContact CG2-CB 4.35Å
968	K	98.2	Very high	97.7	Very high	80 Å²	80	32.6 Å²	32.6	35%	0.348	17%	0.17	S	C	.	.	H	α-helix	trans	-60.9	-35.9	176.7	-170.2	176.8	179.1	-178.6	0	113.2	D964 M965 W966 N972 V1082	D964-K968 WeakPolarHBondContact O-CB 3.4Å; D964-K968 PolarHBondContact O-N 3.06Å; D964-K968 VanDerWaalsContact O-N 3.1Å; M965-K968 PolarHBondContact O-N 3.08Å; W966-K968 VanDerWaalsContact C-N 3.35Å; W966-K968 PolarHBondContact O-N 3.4Å; K968-N972 PolarHBondContact O-N 3.38Å; K968-N972 PolarHBondContact O-ND2 2.93Å; K968-V1082 HydrophobicContact CD-CG1 4.1Å; K968-V1082 HydrophobicContact CD-CG2 4.38Å; K968-V1082 HydrophobicContact CG-CG1 4.03Å
969	I	98.7	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-49.9	172.8	-69.7	158.7	0	0	0	110	F949 M965 W966 I967 E971 N972 V973 L1027 Y1081 V1082 A1085 V1086	F949-I969 HydrophobicContact CD2-CG2 4.21Å; F949-I969 HydrophobicContact CE1-CG2 4.06Å; F949-I969 HydrophobicContact CE2-CG2 3.63Å; F949-I969 HydrophobicContact CZ-CG2 3.55Å; M965-I969 VanDerWaalsContact O-CG1 3.31Å; M965-I969 WeakPolarHBondContact O-CG1 3.03Å; M965-I969 PolarHBondContact O-N 2.71Å; W966-I969 WeakPolarHBondContact O-CB 3.17Å; W966-I969 PolarHBondContact O-N 3.25Å; I967-I969 VanDerWaalsContact C-N 3.31Å; I967-I969 PolarHBondContact O-N 3.3Å; I969-E971 VanDerWaalsContact C-N 3.34Å; I969-E971 PolarHBondContact O-N 2.95Å; I969-N972 CarbonylContact O-C 3.54Å; I969-N972 PolarHBondContact O-N 2.94Å; I969-N972 VanDerWaalsContact O-N 3.13Å; I969-V973 WeakPolarHBondContact O-CG2 3.34Å; I969-V973 PolarHBondContact O-N 2.99Å; I969-L1027 HydrophobicContact CD1-CD1 3.97Å; I969-L1027 HydrophobicContact CD1-CD2 4.18Å; I969-Y1081 HydrophobicContact CD1-CD1 4.04Å; I969-Y1081 HydrophobicContact CD1-CE1 3.8Å; I969-V1082 HydrophobicContact CD1-CG2 4.43Å; I969-V1082 HydrophobicContact CG1-CB 4.2Å; I969-V1082 HydrophobicContact CG1-CG1 4.01Å; I969-V1082 HydrophobicContact CG1-CG2 4.12Å; I969-A1085 HydrophobicContact CD1-CB 3.46Å; I969-A1085 VanDerWaalsContact CD1-CB 3.46Å; I969-A1085 HydrophobicContact CG1-CB 3.83Å; I969-A1085 HydrophobicContact CG2-CB 4.02Å; I969-V1086 HydrophobicContact CB-CG2 4.44Å; I969-V1086 HydrophobicContact CG1-CG2 4.33Å; I969-V1086 HydrophobicContact CG2-CG2 4.37Å
970	L	98.5	Very high	97.8	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-39.7	179.2	-67.1	174.4	0	0	0	112	F949 W966 I967 N972 V973 S976 L978 L1000 R1004 I1005	F949-L970 HydrophobicContact CD2-CD2 4.05Å; W966-L970 WeakPolarHBondContact O-CG 3.41Å; W966-L970 PolarHBondContact O-N 3.14Å; I967-L970 PolarHBondContact O-N 3.45Å; I967-L970 VanDerWaalsContact O-N 3.12Å; L970-N972 VanDerWaalsContact C-N 3.32Å; L970-N972 PolarHBondContact O-N 2.94Å; L970-V973 CarbonylContact O-C 3.5Å; L970-V973 PolarHBondContact O-N 3Å; L970-S976 VanDerWaalsContact CD2-OG 3.28Å; L970-S976 WeakPolarHBondContact CD2-OG 3.45Å; L970-L978 HydrophobicContact CD1-CB 3.91Å; L970-L978 HydrophobicContact CD2-CB 4.31Å; L970-L1000 HydrophobicContact CB-CD1 3.93Å; L970-L1000 HydrophobicContact CD1-CD1 4.2Å; L970-L1000 HydrophobicContact CD1-CD2 3.52Å; L970-R1004 VanDerWaalsContact O-CZ 3.23Å; L970-R1004 PolarHBondContact O-NH1 3.25Å; L970-R1004 PolarHBondContact O-NH2 3.07Å; L970-I1005 HydrophobicContact CD1-CD1 4Å
971	E	97.5	Very high	97.8	Very high	105 Å²	105	31 Å²	31	49%	0.491	16%	0.16	S	C	.	.	H	α-helix	trans	-58	-42.4	173.3	-73.1	169.3	174.4	0	0	112.4	I967 I969 V973	I967-E971 HydrophobicContact CG2-CG 4.43Å; I967-E971 WeakPolarHBondContact O-CG 3.5Å; I967-E971 PolarHBondContact O-N 3.47Å; I969-E971 VanDerWaalsContact C-N 3.34Å; I969-E971 PolarHBondContact O-N 2.95Å; E971-V973 VanDerWaalsContact C-N 3.35Å
972	N	98.2	Very high	97.6	Very high	84 Å²	84	32.5 Å²	32.5	45%	0.449	16%	0.161	S	C	.	.	H	α-helix	trans	-83.3	-9.2	-178.2	-75.4	-93.7	0	0	0	113.5	K968 I969 L970 V1086	K968-N972 PolarHBondContact O-N 3.38Å; K968-N972 PolarHBondContact O-ND2 2.93Å; I969-N972 CarbonylContact O-C 3.54Å; I969-N972 PolarHBondContact O-N 2.94Å; I969-N972 VanDerWaalsContact O-N 3.13Å; L970-N972 VanDerWaalsContact C-N 3.32Å; L970-N972 PolarHBondContact O-N 2.94Å; N972-V1086 HydrophobicContact CB-CB 4.44Å; N972-V1086 HydrophobicContact CB-CG1 3.93Å; N972-V1086 HydrophobicContact CB-CG2 3.55Å
973	V	98.2	Very high	97.1	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	17%	0.168	C	C	.	.	S	Bend	trans	-123.9	81.6	174.7	-170.8	0	0	0	0	108.9	I947 F949 I969 L970 E971 K975 S976 R1004 V1086 G1089 T1090	I947-V973 HydrophobicContact CB-CG1 4.43Å; I947-V973 HydrophobicContact CG1-CG1 4.27Å; F949-V973 HydrophobicContact CE2-CB 4.29Å; F949-V973 HydrophobicContact CE2-CG1 4.37Å; F949-V973 HydrophobicContact CE2-CG2 4.27Å; F949-V973 HydrophobicContact CZ-CG2 4.29Å; I969-V973 WeakPolarHBondContact O-CG2 3.34Å; I969-V973 PolarHBondContact O-N 2.99Å; L970-V973 CarbonylContact O-C 3.5Å; L970-V973 PolarHBondContact O-N 3Å; E971-V973 VanDerWaalsContact C-N 3.35Å; V973-K975 PolarHBondContact O-N 3.49Å; V973-S976 WeakPolarHBondContact O-CB 3.5Å; V973-S976 PolarHBondContact O-N 3.46Å; V973-S976 PolarHBondContact O-OG 3.2Å; V973-R1004 PolarHBondContact O-NH2 3.34Å; V973-V1086 HydrophobicContact CG2-CB 4.35Å; V973-V1086 HydrophobicContact CG2-CG1 4.29Å; V973-V1086 HydrophobicContact CG2-CG2 4.21Å; V973-G1089 VanDerWaalsContact CG1-O 3.32Å; V973-G1089 WeakPolarHBondContact CG1-O 3.4Å; V973-T1090 HydrophobicContact CG2-CG2 4.15Å
974	P	95.3	Very high	96.7	Very high	102 Å²	102	35 Å²	35	66%	0.662	17%	0.173	S	C	*	.	S	Bend	trans	-59.1	-41	-166.3	-28.4	36.3	0	0	0	114.8	S976 R1004	P974-S976 VanDerWaalsContact C-N 3.31Å; P974-S976 PolarHBondContact O-N 3.25Å; P974-R1004 PolarHBondContact O-NH2 3.23Å
975	K	95.4	Very high	96.3	Very high	134 Å²	134	39.7 Å²	39.7	58%	0.583	19%	0.187	S	C	*	.	S	Bend	trans	-86.9	66.6	171.8	-73	-162.8	168.8	-151.2	0	111.1	D945 A946 I947 V973	D945-K975 IonicContact OD2-NZ 2.74Å; D945-K975 PolarHBondContact OD2-NZ 3.08Å; A946-K975 WeakPolarHBondContact CA-O 3.15Å; A946-K975 WeakPolarHBondContact CB-O 3.31Å; I947-K975 PolarHBondContact N-O 3.07Å; V973-K975 PolarHBondContact O-N 3.49Å
976	S	98	Very high	95.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.1	172.8	67.6	0	0	0	0	113.3	I947 L970 V973 P974 R1004	I947-S976 CarbonylContact O-C 3.58Å; I947-S976 WeakPolarHBondContact O-CA 3.31Å; I947-S976 VanDerWaalsContact O-CB 3.3Å; I947-S976 WeakPolarHBondContact O-CB 3.44Å; L970-S976 VanDerWaalsContact CD2-OG 3.28Å; L970-S976 WeakPolarHBondContact CD2-OG 3.45Å; V973-S976 WeakPolarHBondContact O-CB 3.5Å; V973-S976 PolarHBondContact O-N 3.46Å; V973-S976 PolarHBondContact O-OG 3.2Å; P974-S976 VanDerWaalsContact C-N 3.31Å; P974-S976 PolarHBondContact O-N 3.25Å; S976-R1004 VanDerWaalsContact O-CZ 3.27Å; S976-R1004 PolarHBondContact O-NE 2.99Å; S976-R1004 PolarHBondContact O-NH2 3.08Å; S976-R1004 PolarHBondContact OG-NH2 3.17Å
977	I	98.2	Very high	95.7	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.082	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.4	174.3	66.3	91.2	0	0	0	109.8	L942 P943 I947 V948 F949 W979 R1004 V1006	L942-I977 HydrophobicContact CD2-CD1 3.81Å; P943-I977 HydrophobicContact CG-CG1 4.22Å; P943-I977 HydrophobicContact CG-CG2 4.2Å; I947-I977 PolarHBondContact O-N 2.98Å; V948-I977 HydrophobicContact CB-CD1 4.4Å; V948-I977 HydrophobicContact CG1-CD1 4.04Å; V948-I977 HydrophobicContact CG2-CD1 4.09Å; V948-I977 HydrophobicContact CG2-CG1 4.11Å; F949-I977 PolarHBondContact N-O 3.21Å; I977-W979 HydrophobicContact CD1-CB 3.99Å; I977-R1004 CarbonylContact C-O 3.55Å; I977-R1004 VanDerWaalsContact CA-O 3.3Å; I977-R1004 WeakPolarHBondContact CA-O 3.32Å; I977-R1004 WeakPolarHBondContact CB-O 3.41Å; I977-V1006 HydrophobicContact CD1-CB 4.3Å; I977-V1006 HydrophobicContact CD1-CG2 4.01Å
978	L	98.5	Very high	95.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122	171.6	176.8	67.3	0	0	0	109.8	F949 L963 W966 L970 L980 R1004 I1005 V1006 L1027	F949-L978 HydrophobicContact CB-CD1 4.09Å; F949-L978 CarbonylContact O-C 3.47Å; F949-L978 WeakPolarHBondContact O-CA 3.5Å; L963-L978 HydrophobicContact CD1-CD2 4.36Å; W966-L978 HydrophobicContact CB-CD2 4.21Å; W966-L978 HydrophobicContact CD2-CD2 4.25Å; W966-L978 HydrophobicContact CE3-CD1 4.43Å; W966-L978 HydrophobicContact CE3-CD2 3.57Å; W966-L978 HydrophobicContact CZ3-CD2 4.23Å; L970-L978 HydrophobicContact CD1-CB 3.91Å; L970-L978 HydrophobicContact CD2-CB 4.31Å; L978-L980 HydrophobicContact CD1-CD2 4.06Å; L978-L980 HydrophobicContact CD2-CD1 4.12Å; L978-L980 HydrophobicContact CD2-CD2 4.07Å; L978-L980 HydrophobicContact CD2-CG 4.2Å; L978-L980 HydrophobicContact CG-CD1 4.44Å; L978-L980 HydrophobicContact CG-CD2 3.89Å; L978-L980 HydrophobicContact CG-CG 3.99Å; L978-R1004 PolarHBondContact N-O 3.33Å; L978-I1005 HydrophobicContact CB-CD1 3.97Å; L978-I1005 HydrophobicContact CD2-CD1 4.13Å; L978-I1005 WeakPolarHBondContact O-CA 3.4Å; L978-V1006 PolarHBondContact O-N 3.48Å; L978-L1027 HydrophobicContact CD1-CD1 4.35Å
979	W	98.3	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.7	-176.8	-173.2	26.5	0	0	0	111.3	Y940 L942 V948 F949 C950 N951 F952 I977 V1006 S1008 R1019 L1022	Y940-W979 HydrophobicContact CD1-CH2 4.35Å; Y940-W979 AromaticContact CD1-CZ2 3.78Å; Y940-W979 HydrophobicContact CD1-CZ2 3.78Å; Y940-W979 HydrophobicContact CD2-CH2 4.03Å; Y940-W979 HydrophobicContact CD2-CZ2 4.19Å; Y940-W979 AromaticContact CG-CH2 3.9Å; Y940-W979 HydrophobicContact CG-CH2 3.9Å; Y940-W979 AromaticContact CG-CZ2 3.57Å; Y940-W979 HydrophobicContact CG-CZ2 3.57Å; L942-W979 HydrophobicContact CD1-CD2 3.85Å; L942-W979 HydrophobicContact CD1-CE3 3.58Å; L942-W979 HydrophobicContact CD1-CH2 3.75Å; L942-W979 HydrophobicContact CD1-CZ2 4.01Å; L942-W979 HydrophobicContact CD1-CZ3 3.52Å; L942-W979 HydrophobicContact CD2-CB 4.23Å; L942-W979 HydrophobicContact CD2-CD2 3.81Å; L942-W979 HydrophobicContact CD2-CE3 4.28Å; L942-W979 HydrophobicContact CD2-CG 3.78Å; L942-W979 HydrophobicContact CG-CD2 4.43Å; V948-W979 HydrophobicContact CG1-CB 4.07Å; V948-W979 HydrophobicContact CG1-CE3 3.91Å; F949-W979 PolarHBondContact O-N 3.19Å; C950-W979 CarbonylContact C-O 3.58Å; C950-W979 VanDerWaalsContact CA-O 3.28Å; C950-W979 WeakPolarHBondContact CA-O 3.35Å; C950-W979 HydrophobicContact CB-CB 4.27Å; C950-W979 HydrophobicContact CB-CE3 4.38Å; N951-W979 PolarHBondContact N-O 3.08Å; F952-W979 AromaticContact CE1-CD2 3.76Å; F952-W979 HydrophobicContact CE1-CD2 3.76Å; F952-W979 AromaticContact CE1-CE3 3.8Å; F952-W979 HydrophobicContact CE1-CE3 3.8Å; F952-W979 HydrophobicContact CE1-CG 4.24Å; F952-W979 HydrophobicContact CE1-CH2 4.46Å; F952-W979 HydrophobicContact CE1-CZ2 4.4Å; F952-W979 HydrophobicContact CE1-CZ3 4.17Å; F952-W979 HydrophobicContact CZ-CD2 4.02Å; F952-W979 AromaticContact CZ-CE3 3.62Å; F952-W979 HydrophobicContact CZ-CE3 3.62Å; F952-W979 AromaticContact CZ-CH2 3.87Å; F952-W979 HydrophobicContact CZ-CH2 3.87Å; F952-W979 HydrophobicContact CZ-CZ2 4.23Å; F952-W979 AromaticContact CZ-CZ3 3.55Å; F952-W979 HydrophobicContact CZ-CZ3 3.55Å; I977-W979 HydrophobicContact CD1-CB 3.99Å; W979-V1006 CarbonylContact C-O 3.53Å; W979-V1006 WeakPolarHBondContact CA-O 3.39Å; W979-S1008 PolarHBondContact NE1-OG 2.94Å; W979-R1019 HydrophobicContact CH2-CB 4.02Å; W979-R1019 HydrophobicContact CH2-CG 3.84Å; W979-R1019 HydrophobicContact CZ2-CG 4.44Å; W979-L1022 HydrophobicContact CH2-CD1 4.39Å; W979-L1022 HydrophobicContact CZ3-CB 4.25Å
980	L	98.1	Very high	95.2	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	155.3	-172.8	-61.6	-179.5	0	0	0	112.8	N951 W966 L978 I991 I1005 V1006 F1007 S1008	N951-L980 HydrophobicContact CB-CD2 3.92Å; N951-L980 WeakPolarHBondContact O-CA 3.48Å; W966-L980 HydrophobicContact CZ3-CD2 3.93Å; L978-L980 HydrophobicContact CD1-CD2 4.06Å; L978-L980 HydrophobicContact CD2-CD1 4.12Å; L978-L980 HydrophobicContact CD2-CD2 4.07Å; L978-L980 HydrophobicContact CD2-CG 4.2Å; L978-L980 HydrophobicContact CG-CD1 4.44Å; L978-L980 HydrophobicContact CG-CD2 3.89Å; L978-L980 HydrophobicContact CG-CG 3.99Å; L980-I991 HydrophobicContact CD1-CD1 4.22Å; L980-I991 HydrophobicContact CD1-CG2 4.1Å; L980-I1005 HydrophobicContact CD1-CG2 4.22Å; L980-V1006 PolarHBondContact N-O 3.4Å; L980-F1007 HydrophobicContact CB-CD1 3.77Å; L980-F1007 HydrophobicContact CB-CE1 3.58Å; L980-F1007 HydrophobicContact CB-CG 4.41Å; L980-F1007 HydrophobicContact CB-CZ 4.08Å; L980-F1007 HydrophobicContact CD1-CE1 4.03Å; L980-F1007 HydrophobicContact CD1-CE2 4.38Å; L980-F1007 HydrophobicContact CD1-CZ 3.73Å; L980-F1007 HydrophobicContact CG-CE1 4.45Å; L980-F1007 WeakPolarHBondContact O-CA 3.48Å; L980-S1008 PolarHBondContact O-N 3.09Å; L980-S1008 VanDerWaalsContact O-N 3.08Å
981	L	95.6	Very high	95.1	Very high	5 Å²	5	47 Å²	47	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.4	169.8	-174.3	69.8	0	0	0	110.7	N951 F952 L955 F983 V1010	N951-L981 PolarHBondContact O-N 3.03Å; F952-L981 WeakPolarHBondContact O-CD2 3.5Å; L955-L981 WeakPolarHBondContact CD2-O 3.36Å; L981-F983 HydrophobicContact CD2-CB 3.83Å; L981-F983 HydrophobicContact CG-CB 3.89Å; L981-F983 PolarHBondContact O-N 3.04Å; L981-V1010 HydrophobicContact CD1-CG2 4.12Å; L981-V1010 HydrophobicContact CD2-CG2 4.48Å; L981-V1010 HydrophobicContact CG-CG2 4.42Å
982	R	93.8	Very high	95.1	Very high	68 Å²	68	45.1 Å²	45.1	26%	0.257	21%	0.211	S	C	.	.			trans	-74.5	73.1	171.6	-174.2	-177.8	-75.3	112.1	7.7	110.3	E988 F1007 S1008 N1009	R982-E988 IonicContact CZ-OE2 2.79Å; R982-E988 IonicContact NE-OE2 3.4Å; R982-E988 PolarHBondContact NE-OE2 2.65Å; R982-E988 IonicContact NH2-OE1 2.99Å; R982-E988 PolarHBondContact NH2-OE1 3.42Å; R982-E988 IonicContact NH2-OE2 3.71Å; R982-E988 PolarHBondContact NH2-OE2 3.38Å; R982-F1007 HydrophobicContact CB-CB 4.33Å; R982-F1007 HydrophobicContact CB-CD1 4.23Å; R982-F1007 PolarHBondContact NH1-O 3.21Å; R982-F1007 VanDerWaalsContact NH2-CB 3.3Å; R982-F1007 PolarHBondContact NH2-O 3.05Å; R982-F1007 VanDerWaalsContact NH2-O 3.11Å; R982-S1008 WeakPolarHBondContact CB-O 3.27Å; R982-S1008 PolarHBondContact N-O 2.88Å; R982-N1009 PolarHBondContact NH1-OD1 2.99Å
983	F	87.7	Confident	95	Very high	34 Å²	34	45.1 Å²	45.1	15%	0.149	21%	0.207	C	C	.	.			trans	-150.8	110.1	178.7	-164	-102	0	0	0	114.8	Y10 V13 Q954 L955 L981 V1010	Y10-F983 HydrophobicContact CE1-CE1 4.48Å; Y10-F983 HydrophobicContact CE1-CZ 4.09Å; V13-F983 HydrophobicContact CB-CE1 4.19Å; V13-F983 HydrophobicContact CB-CE2 4.3Å; V13-F983 HydrophobicContact CB-CZ 3.65Å; V13-F983 HydrophobicContact CG1-CE2 3.92Å; V13-F983 HydrophobicContact CG1-CZ 3.8Å; V13-F983 HydrophobicContact CG2-CZ 3.76Å; Q954-F983 HydrophobicContact CB-CD1 4.15Å; Q954-F983 HydrophobicContact CG-CD1 3.7Å; Q954-F983 HydrophobicContact CG-CE1 4.17Å; L955-F983 WeakPolarHBondContact CG-O 3.36Å; L955-F983 PolarHBondContact N-O 3.13Å; L981-F983 HydrophobicContact CD2-CB 3.83Å; L981-F983 HydrophobicContact CG-CB 3.89Å; L981-F983 PolarHBondContact O-N 3.04Å; F983-V1010 HydrophobicContact CB-CG2 3.82Å; F983-V1010 HydrophobicContact CD2-CG2 3.53Å; F983-V1010 HydrophobicContact CE2-CG2 4.36Å; F983-V1010 HydrophobicContact CG-CG2 3.84Å
984	P	88	Confident	94.9	Very high	18 Å²	18	46 Å²	46	12%	0.117	21%	0.21	C	C	.	.	S	Bend	cis	-75	165.2	-6.1	36.5	-39.4	0	0	0	111.9	I579 I580 Q986 G987	I579-P984 HydrophobicContact CG2-CG 3.63Å; I579-P984 WeakPolarHBondContact O-CD 3.43Å; I580-P984 HydrophobicContact CG2-CG 4.21Å; P984-Q986 VanDerWaalsContact C-N 3.3Å; P984-Q986 PolarHBondContact O-N 3.38Å; P984-G987 PolarHBondContact O-N 3.33Å
985	Y	90.1	Very high	95	Very high	159 Å²	159	41.1 Å²	41.1	62%	0.624	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-32	-173.4	86.6	-94.3	0	0	0	113.4	G987 E988	Y985-G987 PolarHBondContact O-N 2.85Å; Y985-G987 VanDerWaalsContact O-N 3.12Å; Y985-E988 PolarHBondContact O-N 3.13Å; Y985-E988 VanDerWaalsContact O-N 3.11Å
986	Q	90.3	Very high	95	Very high	32 Å²	32	38.5 Å²	38.5	15%	0.15	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-18.1	179.5	-60	89.1	-20.4	0	0	113	I580 P984 E988 H990	I580-Q986 HydrophobicContact CB-CB 4.18Å; I580-Q986 HydrophobicContact CG2-CB 3.92Å; P984-Q986 VanDerWaalsContact C-N 3.3Å; P984-Q986 PolarHBondContact O-N 3.38Å; Q986-E988 VanDerWaalsContact C-N 3.33Å; Q986-H990 PolarHBondContact O-ND1 3.22Å
987	G	93.7	Very high	95	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.3	-22.6	175.6	0	0	0	0	0	114.4	I580 P984 Y985 I991	I580-G987 WeakPolarHBondContact O-CA 3.32Å; P984-G987 PolarHBondContact O-N 3.33Å; Y985-G987 PolarHBondContact O-N 2.85Å; Y985-G987 VanDerWaalsContact O-N 3.12Å; G987-I991 WeakPolarHBondContact O-CB 3.4Å; G987-I991 WeakPolarHBondContact O-CG1 3.3Å; G987-I991 PolarHBondContact O-N 2.84Å
988	E	95.2	Very high	94.9	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-44.7	-179.9	170.8	162.4	-165	0	0	112	R982 Y985 Q986 I991 R992 F1007	R982-E988 IonicContact CZ-OE2 2.79Å; R982-E988 IonicContact NE-OE2 3.4Å; R982-E988 PolarHBondContact NE-OE2 2.65Å; R982-E988 IonicContact NH2-OE1 2.99Å; R982-E988 PolarHBondContact NH2-OE1 3.42Å; R982-E988 IonicContact NH2-OE2 3.71Å; R982-E988 PolarHBondContact NH2-OE2 3.38Å; Y985-E988 PolarHBondContact O-N 3.13Å; Y985-E988 VanDerWaalsContact O-N 3.11Å; Q986-E988 VanDerWaalsContact C-N 3.33Å; E988-I991 PolarHBondContact O-N 3.16Å; E988-R992 HydrophobicContact CG-CG 4.33Å; E988-R992 WeakPolarHBondContact O-CB 3.48Å; E988-R992 VanDerWaalsContact O-CG 3.28Å; E988-R992 WeakPolarHBondContact O-CG 3.25Å; E988-R992 PolarHBondContact O-N 3.47Å; E988-R992 IonicContact OE1-CZ 3.42Å; E988-R992 IonicContact OE1-NE 3.9Å; E988-R992 PolarHBondContact OE1-NE 2.93Å; E988-R992 IonicContact OE1-NH2 3.09Å; E988-R992 PolarHBondContact OE1-NH2 3.15Å; E988-F1007 HydrophobicContact CB-CD1 4.29Å; E988-F1007 HydrophobicContact CB-CD2 4.14Å; E988-F1007 HydrophobicContact CB-CE1 4.17Å; E988-F1007 HydrophobicContact CB-CE2 4Å; E988-F1007 HydrophobicContact CB-CG 4.27Å; E988-F1007 HydrophobicContact CB-CZ 4.02Å; E988-F1007 VanDerWaalsContact CD-CD2 3.46Å; E988-F1007 HydrophobicContact CG-CD2 3.54Å; E988-F1007 HydrophobicContact CG-CE2 3.63Å; E988-F1007 HydrophobicContact CG-CG 4Å; E988-F1007 HydrophobicContact CG-CZ 4.18Å; E988-F1007 WeakPolarHBondContact OE1-CD2 3.49Å
989	E	94.9	Very high	94.8	Very high	149 Å²	149	51.3 Å²	51.3	70%	0.696	25%	0.247	S	C	*	.	H	α-helix	trans	-62.7	-45.7	-179.9	-171.4	-179.6	163.3	0	0	111.4	R992 K993	E989-R992 PolarHBondContact O-N 3.05Å; E989-K993 VanDerWaalsContact O-CB 3.28Å; E989-K993 WeakPolarHBondContact O-CB 3.44Å; E989-K993 PolarHBondContact O-N 2.97Å
990	H	96	Very high	94.7	Very high	43 Å²	43	51.7 Å²	51.7	20%	0.199	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-41.9	179.6	-62.8	103	0	0	0	112.6	I580 C581 Q986 K993 Y994	I580-H990 PolarHBondContact O-ND1 3.41Å; C581-H990 HydrophobicContact CB-CB 4.27Å; C581-H990 WeakPolarHBondContact O-CB 3.41Å; Q986-H990 PolarHBondContact O-ND1 3.22Å; H990-K993 PolarHBondContact O-N 3.39Å; H990-Y994 WeakPolarHBondContact O-CB 3.46Å; H990-Y994 PolarHBondContact O-N 3.49Å
991	I	97	Very high	94.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-46.7	175.3	-72.7	172	0	0	0	110.7	C581 L955 I958 L963 L980 G987 E988 K993 Y994 C995 I1005 F1007	C581-I991 HydrophobicContact CB-CD1 4.39Å; C581-I991 HydrophobicContact CB-CG1 3.95Å; L955-I991 HydrophobicContact CD1-CD1 4.09Å; L955-I991 HydrophobicContact CD2-CD1 3.78Å; L955-I991 HydrophobicContact CG-CD1 4.35Å; I958-I991 HydrophobicContact CD1-CD1 4.06Å; L963-I991 HydrophobicContact CD2-CB 4.48Å; L963-I991 HydrophobicContact CD2-CG1 4.39Å; L963-I991 HydrophobicContact CD2-CG2 3.97Å; L980-I991 HydrophobicContact CD1-CD1 4.22Å; L980-I991 HydrophobicContact CD1-CG2 4.1Å; G987-I991 WeakPolarHBondContact O-CB 3.4Å; G987-I991 WeakPolarHBondContact O-CG1 3.3Å; G987-I991 PolarHBondContact O-N 2.84Å; E988-I991 PolarHBondContact O-N 3.16Å; I991-K993 PolarHBondContact O-N 2.96Å; I991-Y994 PolarHBondContact O-N 2.91Å; I991-C995 WeakPolarHBondContact O-CB 3.29Å; I991-C995 PolarHBondContact O-N 3.37Å; I991-C995 PolarHBondContact O-SG 2.94Å; I991-C995 VanDerWaalsContact O-SG 3.36Å; I991-I1005 HydrophobicContact CG2-CG2 4.38Å; I991-F1007 HydrophobicContact CB-CZ 4.08Å; I991-F1007 HydrophobicContact CD1-CE1 4.45Å; I991-F1007 HydrophobicContact CD1-CZ 3.99Å; I991-F1007 HydrophobicContact CG2-CE2 4.29Å; I991-F1007 HydrophobicContact CG2-CZ 3.94Å
992	R	96.2	Very high	94.3	Very high	65 Å²	65	57.9 Å²	57.9	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-45.9	177.1	-74.4	-177.9	-177.6	-65.1	-3.9	111.5	E988 E989 C995 V996 P1002 I1005 F1007	E988-R992 HydrophobicContact CG-CG 4.33Å; E988-R992 WeakPolarHBondContact O-CB 3.48Å; E988-R992 VanDerWaalsContact O-CG 3.28Å; E988-R992 WeakPolarHBondContact O-CG 3.25Å; E988-R992 PolarHBondContact O-N 3.47Å; E988-R992 IonicContact OE1-CZ 3.42Å; E988-R992 IonicContact OE1-NE 3.9Å; E988-R992 PolarHBondContact OE1-NE 2.93Å; E988-R992 IonicContact OE1-NH2 3.09Å; E988-R992 PolarHBondContact OE1-NH2 3.15Å; E989-R992 PolarHBondContact O-N 3.05Å; R992-C995 PolarHBondContact O-N 2.89Å; R992-V996 VanDerWaalsContact O-CG2 3.31Å; R992-V996 WeakPolarHBondContact O-CG2 3.28Å; R992-V996 PolarHBondContact O-N 3.49Å; R992-P1002 PolarHBondContact NH1-O 3.17Å; R992-I1005 VanDerWaalsContact CZ-O 3.27Å; R992-I1005 PolarHBondContact NH1-O 3.09Å; R992-I1005 PolarHBondContact NH2-O 3.01Å; R992-F1007 HydrophobicContact CG-CE2 4.46Å
993	K	96.2	Very high	94.2	Very high	84 Å²	84	58.5 Å²	58.5	37%	0.365	30%	0.299	S	S	.	.	H	α-helix	trans	-57	-50.8	175.6	179.3	-172.8	166.5	-169.4	0	111.3	N584 E989 H990 I991 C995 V996 E997	N584-K993 PolarHBondContact OD1-NZ 3.45Å; E989-K993 VanDerWaalsContact O-CB 3.28Å; E989-K993 WeakPolarHBondContact O-CB 3.44Å; E989-K993 PolarHBondContact O-N 2.97Å; H990-K993 PolarHBondContact O-N 3.39Å; I991-K993 PolarHBondContact O-N 2.96Å; K993-C995 VanDerWaalsContact C-N 3.32Å; K993-C995 PolarHBondContact O-N 3.34Å; K993-V996 PolarHBondContact O-N 3.06Å; K993-V996 VanDerWaalsContact O-N 3.17Å; K993-E997 WeakPolarHBondContact CE-OE1 3.49Å; K993-E997 HydrophobicContact CG-CG 4.47Å; K993-E997 IonicContact NZ-OE1 3.68Å; K993-E997 WeakPolarHBondContact O-CG 3.35Å; K993-E997 PolarHBondContact O-N 3.38Å
994	Y	96.7	Very high	94.7	Very high	22 Å²	22	58.6 Å²	58.6	9%	0.086	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-36.5	-178.3	-174.4	-86.2	0	0	0	113	W583 P960 L963 D964 I967 H990 I991 R998	W583-Y994 HydrophobicContact CE3-CD1 4.35Å; W583-Y994 AromaticContact CE3-CD2 3.51Å; W583-Y994 HydrophobicContact CE3-CD2 3.51Å; W583-Y994 HydrophobicContact CE3-CE1 4.35Å; W583-Y994 AromaticContact CE3-CE2 3.5Å; W583-Y994 HydrophobicContact CE3-CE2 3.5Å; W583-Y994 VanDerWaalsContact CE3-CE2 3.5Å; W583-Y994 AromaticContact CE3-CG 3.91Å; W583-Y994 HydrophobicContact CE3-CG 3.91Å; W583-Y994 AromaticContact CE3-CZ 3.92Å; W583-Y994 AromaticContact CZ3-CD1 3.94Å; W583-Y994 HydrophobicContact CZ3-CD1 3.94Å; W583-Y994 AromaticContact CZ3-CD2 3.95Å; W583-Y994 HydrophobicContact CZ3-CD2 3.95Å; W583-Y994 AromaticContact CZ3-CE1 3.96Å; W583-Y994 HydrophobicContact CZ3-CE1 3.96Å; W583-Y994 AromaticContact CZ3-CE2 3.96Å; W583-Y994 HydrophobicContact CZ3-CE2 3.96Å; W583-Y994 AromaticContact CZ3-CG 3.9Å; W583-Y994 HydrophobicContact CZ3-CG 3.9Å; W583-Y994 AromaticContact CZ3-CZ 3.94Å; P960-Y994 VanDerWaalsContact CA-OH 3.3Å; P960-Y994 WeakPolarHBondContact CA-OH 3.14Å; P960-Y994 HydrophobicContact CB-CE2 4.3Å; P960-Y994 VanDerWaalsContact CB-OH 3.26Å; P960-Y994 WeakPolarHBondContact CB-OH 3.41Å; P960-Y994 PolarHBondContact O-OH 3.38Å; P960-Y994 VanDerWaalsContact O-OH 3.09Å; L963-Y994 HydrophobicContact CB-CD1 4.42Å; L963-Y994 HydrophobicContact CB-CE1 4.09Å; L963-Y994 HydrophobicContact CD2-CD1 3.54Å; L963-Y994 HydrophobicContact CD2-CE1 4.07Å; L963-Y994 HydrophobicContact CD2-CG 4.29Å; L963-Y994 HydrophobicContact CG-CD1 4.01Å; L963-Y994 HydrophobicContact CG-CE1 4.12Å; D964-Y994 VanDerWaalsContact OD1-CE1 3.3Å; D964-Y994 WeakPolarHBondContact OD1-CE1 3.41Å; D964-Y994 PolarHBondContact OD1-OH 3.5Å; I967-Y994 HydrophobicContact CD1-CD1 4.17Å; I967-Y994 HydrophobicContact CD1-CE1 4.23Å; H990-Y994 WeakPolarHBondContact O-CB 3.46Å; H990-Y994 PolarHBondContact O-N 3.49Å; I991-Y994 PolarHBondContact O-N 2.91Å; Y994-R998 VanDerWaalsContact CE1-CZ 3.43Å; Y994-R998 VanDerWaalsContact CE1-NE 3.27Å; Y994-R998 VanDerWaalsContact CE2-CZ 3.48Å; Y994-R998 VanDerWaalsContact CE2-NH1 3.33Å; Y994-R998 PolarHBondContact O-N 3.21Å; Y994-R998 VanDerWaalsContact OH-CZ 3.22Å; Y994-R998 PolarHBondContact OH-NE 2.93Å; Y994-R998 PolarHBondContact OH-NH2 3.31Å
995	C	96.8	Very high	95.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-46	172	-73.9	0	0	0	0	112.3	I991 R992 K993 E997 R998 G999 L1000 I1005	I991-C995 WeakPolarHBondContact O-CB 3.29Å; I991-C995 PolarHBondContact O-N 3.37Å; I991-C995 PolarHBondContact O-SG 2.94Å; I991-C995 VanDerWaalsContact O-SG 3.36Å; R992-C995 PolarHBondContact O-N 2.89Å; K993-C995 VanDerWaalsContact C-N 3.32Å; K993-C995 PolarHBondContact O-N 3.34Å; C995-E997 PolarHBondContact O-N 3.48Å; C995-R998 CarbonylContact O-C 3.58Å; C995-R998 PolarHBondContact O-N 3.07Å; C995-R998 VanDerWaalsContact O-N 3.09Å; C995-G999 PolarHBondContact O-N 2.94Å; C995-L1000 HydrophobicContact CB-CB 4.2Å; C995-L1000 HydrophobicContact CB-CD2 4.08Å; C995-L1000 PolarHBondContact O-N 3.37Å; C995-I1005 HydrophobicContact CB-CG1 4.46Å
996	V	96.6	Very high	95.4	Very high	79 Å²	79	51.3 Å²	51.3	48%	0.479	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-41.6	177.7	169.3	0	0	0	0	111.5	R992 K993 R998 G999 P1002	R992-V996 VanDerWaalsContact O-CG2 3.31Å; R992-V996 WeakPolarHBondContact O-CG2 3.28Å; R992-V996 PolarHBondContact O-N 3.49Å; K993-V996 PolarHBondContact O-N 3.06Å; K993-V996 VanDerWaalsContact O-N 3.17Å; V996-R998 PolarHBondContact O-N 3.08Å; V996-R998 VanDerWaalsContact O-N 3.12Å; V996-G999 PolarHBondContact O-N 2.88Å; V996-P1002 HydrophobicContact CG2-CB 3.93Å; V996-P1002 HydrophobicContact CG2-CG 3.92Å
997	E	96.4	Very high	95.8	Very high	122 Å²	122	50.3 Å²	50.3	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.8	175.5	-73.8	175.8	163.4	0	0	113.4	K993 C995	K993-E997 WeakPolarHBondContact CE-OE1 3.49Å; K993-E997 HydrophobicContact CG-CG 4.47Å; K993-E997 IonicContact NZ-OE1 3.68Å; K993-E997 WeakPolarHBondContact O-CG 3.35Å; K993-E997 PolarHBondContact O-N 3.38Å; C995-E997 PolarHBondContact O-N 3.48Å
998	R	96.4	Very high	95.8	Very high	99 Å²	99	50.9 Å²	50.9	37%	0.374	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	3.2	174.7	-76.3	163.4	171	60.3	6.6	113.9	D964 I967 Y994 C995 V996	D964-R998 IonicContact OD1-CZ 2.76Å; D964-R998 IonicContact OD1-NE 2.68Å; D964-R998 PolarHBondContact OD1-NE 2.98Å; D964-R998 IonicContact OD1-NH2 2.64Å; D964-R998 PolarHBondContact OD1-NH2 3.03Å; D964-R998 IonicContact OD2-NH2 3.9Å; I967-R998 HydrophobicContact CD1-CB 4.1Å; I967-R998 VanDerWaalsContact CD1-CD 3.43Å; I967-R998 HydrophobicContact CD1-CG 4.4Å; I967-R998 HydrophobicContact CG2-CB 4.42Å; Y994-R998 VanDerWaalsContact CE1-CZ 3.43Å; Y994-R998 VanDerWaalsContact CE1-NE 3.27Å; Y994-R998 VanDerWaalsContact CE2-CZ 3.48Å; Y994-R998 VanDerWaalsContact CE2-NH1 3.33Å; Y994-R998 PolarHBondContact O-N 3.21Å; Y994-R998 VanDerWaalsContact OH-CZ 3.22Å; Y994-R998 PolarHBondContact OH-NE 2.93Å; Y994-R998 PolarHBondContact OH-NH2 3.31Å; C995-R998 CarbonylContact O-C 3.58Å; C995-R998 PolarHBondContact O-N 3.07Å; C995-R998 VanDerWaalsContact O-N 3.09Å; V996-R998 PolarHBondContact O-N 3.08Å; V996-R998 VanDerWaalsContact O-N 3.12Å
999	G	95.8	Very high	95.7	Very high	68 Å²	68	54.1 Å²	54.1	70%	0.701	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	9.4	177.7	0	0	0	0	0	115.2	C995 V996	C995-G999 PolarHBondContact O-N 2.94Å; V996-G999 PolarHBondContact O-N 2.88Å
1000	L	96.3	Very high	95.5	Very high	8 Å²	8	50 Å²	50	4%	0.042	27%	0.273	C	S	.	.			trans	-79.6	131.1	171.9	-174.8	72.3	0	0	0	110.3	I967 L970 C995 I1005	I967-L1000 HydrophobicContact CG1-CD2 4.1Å; I967-L1000 HydrophobicContact CG2-CB 4.35Å; L970-L1000 HydrophobicContact CB-CD1 3.93Å; L970-L1000 HydrophobicContact CD1-CD1 4.2Å; L970-L1000 HydrophobicContact CD1-CD2 3.52Å; C995-L1000 HydrophobicContact CB-CB 4.2Å; C995-L1000 HydrophobicContact CB-CD2 4.08Å; C995-L1000 PolarHBondContact O-N 3.37Å; L1000-I1005 HydrophobicContact CD2-CD1 3.71Å; L1000-I1005 HydrophobicContact CD2-CG1 4.24Å
1001	D	94.3	Very high	95.3	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.444	27%	0.271	S	S	.	.			trans	-59	122	172.5	175.8	0.9	0	0	0	110.6	S1003 R1004	D1001-S1003 PolarHBondContact O-N 2.93Å; D1001-S1003 VanDerWaalsContact O-N 3.14Å; D1001-S1003 VanDerWaalsContact OD1-CB 3.29Å; D1001-S1003 WeakPolarHBondContact OD1-CB 3.43Å; D1001-S1003 PolarHBondContact OD1-N 3Å; D1001-S1003 PolarHBondContact OD1-OG 3.02Å; D1001-S1003 VanDerWaalsContact OD1-OG 3.12Å; D1001-S1003 PolarHBondContact OD2-OG 2.89Å; D1001-R1004 HydrophobicContact CB-CG 4.17Å; D1001-R1004 WeakPolarHBondContact O-CB 3.32Å; D1001-R1004 PolarHBondContact O-N 2.99Å
1002	P	91.5	Very high	95.1	Very high	53 Å²	53	49.2 Å²	49.2	34%	0.344	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62.9	-19.2	-179.4	26.3	-34.7	0	0	0	113.6	R992 V996 R1004 I1005	R992-P1002 PolarHBondContact NH1-O 3.17Å; V996-P1002 HydrophobicContact CG2-CB 3.93Å; V996-P1002 HydrophobicContact CG2-CG 3.92Å; P1002-R1004 PolarHBondContact O-N 3.42Å; P1002-I1005 PolarHBondContact O-N 2.66Å
1003	S	92.8	Very high	95	Very high	80 Å²	80	46.7 Å²	46.7	56%	0.559	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-60.2	-26.2	172.9	81.1	0	0	0	0	112.6	D1001 I1005	D1001-S1003 PolarHBondContact O-N 2.93Å; D1001-S1003 VanDerWaalsContact O-N 3.14Å; D1001-S1003 VanDerWaalsContact OD1-CB 3.29Å; D1001-S1003 WeakPolarHBondContact OD1-CB 3.43Å; D1001-S1003 PolarHBondContact OD1-N 3Å; D1001-S1003 PolarHBondContact OD1-OG 3.02Å; D1001-S1003 VanDerWaalsContact OD1-OG 3.12Å; D1001-S1003 PolarHBondContact OD2-OG 2.89Å; S1003-I1005 PolarHBondContact O-N 2.67Å
1004	R	96.7	Very high	95.1	Very high	36 Å²	36	42.7 Å²	42.7	14%	0.136	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-79.5	-3.4	-178.6	-56.7	-174	65.2	-169.1	-1.3	114	L970 V973 P974 S976 I977 L978 D1001 P1002	L970-R1004 VanDerWaalsContact O-CZ 3.23Å; L970-R1004 PolarHBondContact O-NH1 3.25Å; L970-R1004 PolarHBondContact O-NH2 3.07Å; V973-R1004 PolarHBondContact O-NH2 3.34Å; P974-R1004 PolarHBondContact O-NH2 3.23Å; S976-R1004 VanDerWaalsContact O-CZ 3.27Å; S976-R1004 PolarHBondContact O-NE 2.99Å; S976-R1004 PolarHBondContact O-NH2 3.08Å; S976-R1004 PolarHBondContact OG-NH2 3.17Å; I977-R1004 CarbonylContact C-O 3.55Å; I977-R1004 VanDerWaalsContact CA-O 3.3Å; I977-R1004 WeakPolarHBondContact CA-O 3.32Å; I977-R1004 WeakPolarHBondContact CB-O 3.41Å; L978-R1004 PolarHBondContact N-O 3.33Å; D1001-R1004 HydrophobicContact CB-CG 4.17Å; D1001-R1004 WeakPolarHBondContact O-CB 3.32Å; D1001-R1004 PolarHBondContact O-N 2.99Å; P1002-R1004 PolarHBondContact O-N 3.42Å
1005	I	97.1	Very high	95.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.1	173.9	-49.3	-59.5	0	0	0	108.9	L970 L978 L980 I991 R992 C995 L1000 P1002 S1003 F1007	L970-I1005 HydrophobicContact CD1-CD1 4Å; L978-I1005 HydrophobicContact CB-CD1 3.97Å; L978-I1005 HydrophobicContact CD2-CD1 4.13Å; L978-I1005 WeakPolarHBondContact O-CA 3.4Å; L980-I1005 HydrophobicContact CD1-CG2 4.22Å; I991-I1005 HydrophobicContact CG2-CG2 4.38Å; R992-I1005 VanDerWaalsContact CZ-O 3.27Å; R992-I1005 PolarHBondContact NH1-O 3.09Å; R992-I1005 PolarHBondContact NH2-O 3.01Å; C995-I1005 HydrophobicContact CB-CG1 4.46Å; L1000-I1005 HydrophobicContact CD2-CD1 3.71Å; L1000-I1005 HydrophobicContact CD2-CG1 4.24Å; P1002-I1005 PolarHBondContact O-N 2.66Å; S1003-I1005 PolarHBondContact O-N 2.67Å; I1005-F1007 HydrophobicContact CG2-CD2 3.88Å; I1005-F1007 HydrophobicContact CG2-CE2 3.41Å; I1005-F1007 VanDerWaalsContact CG2-CE2 3.41Å; I1005-F1007 HydrophobicContact CG2-CZ 4.23Å
1006	V	97.3	Very high	95	Very high	21 Å²	21	43 Å²	43	13%	0.127	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.1	178.6	-177.8	0	0	0	0	109.1	L942 I977 L978 W979 L980	L942-V1006 HydrophobicContact CD2-CB 4.24Å; L942-V1006 HydrophobicContact CD2-CG1 3.93Å; L942-V1006 HydrophobicContact CD2-CG2 4.48Å; I977-V1006 HydrophobicContact CD1-CB 4.3Å; I977-V1006 HydrophobicContact CD1-CG2 4.01Å; L978-V1006 PolarHBondContact O-N 3.48Å; W979-V1006 CarbonylContact C-O 3.53Å; W979-V1006 WeakPolarHBondContact CA-O 3.39Å; L980-V1006 PolarHBondContact N-O 3.4Å
1007	F	97.1	Very high	95.1	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.9	179.5	-83.5	-88.8	0	0	0	110.8	L955 L980 R982 E988 I991 R992 I1005	L955-F1007 HydrophobicContact CD1-CE1 4.1Å; L955-F1007 HydrophobicContact CD2-CE1 4.13Å; L980-F1007 HydrophobicContact CB-CD1 3.77Å; L980-F1007 HydrophobicContact CB-CE1 3.58Å; L980-F1007 HydrophobicContact CB-CG 4.41Å; L980-F1007 HydrophobicContact CB-CZ 4.08Å; L980-F1007 HydrophobicContact CD1-CE1 4.03Å; L980-F1007 HydrophobicContact CD1-CE2 4.38Å; L980-F1007 HydrophobicContact CD1-CZ 3.73Å; L980-F1007 HydrophobicContact CG-CE1 4.45Å; L980-F1007 WeakPolarHBondContact O-CA 3.48Å; R982-F1007 HydrophobicContact CB-CB 4.33Å; R982-F1007 HydrophobicContact CB-CD1 4.23Å; R982-F1007 PolarHBondContact NH1-O 3.21Å; R982-F1007 VanDerWaalsContact NH2-CB 3.3Å; R982-F1007 PolarHBondContact NH2-O 3.05Å; R982-F1007 VanDerWaalsContact NH2-O 3.11Å; E988-F1007 HydrophobicContact CB-CD1 4.29Å; E988-F1007 HydrophobicContact CB-CD2 4.14Å; E988-F1007 HydrophobicContact CB-CE1 4.17Å; E988-F1007 HydrophobicContact CB-CE2 4Å; E988-F1007 HydrophobicContact CB-CG 4.27Å; E988-F1007 HydrophobicContact CB-CZ 4.02Å; E988-F1007 VanDerWaalsContact CD-CD2 3.46Å; E988-F1007 HydrophobicContact CG-CD2 3.54Å; E988-F1007 HydrophobicContact CG-CE2 3.63Å; E988-F1007 HydrophobicContact CG-CG 4Å; E988-F1007 HydrophobicContact CG-CZ 4.18Å; E988-F1007 WeakPolarHBondContact OE1-CD2 3.49Å; I991-F1007 HydrophobicContact CB-CZ 4.08Å; I991-F1007 HydrophobicContact CD1-CE1 4.45Å; I991-F1007 HydrophobicContact CD1-CZ 3.99Å; I991-F1007 HydrophobicContact CG2-CE2 4.29Å; I991-F1007 HydrophobicContact CG2-CZ 3.94Å; R992-F1007 HydrophobicContact CG-CE2 4.46Å; I1005-F1007 HydrophobicContact CG2-CD2 3.88Å; I1005-F1007 HydrophobicContact CG2-CE2 3.41Å; I1005-F1007 VanDerWaalsContact CG2-CE2 3.41Å; I1005-F1007 HydrophobicContact CG2-CZ 4.23Å
1008	S	94.3	Very high	95.2	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.1	171.6	-65.3	0	0	0	0	111.8	W979 L980 R982	W979-S1008 PolarHBondContact NE1-OG 2.94Å; L980-S1008 PolarHBondContact O-N 3.09Å; L980-S1008 VanDerWaalsContact O-N 3.08Å; R982-S1008 WeakPolarHBondContact CB-O 3.27Å; R982-S1008 PolarHBondContact N-O 2.88Å
1009	N	93.2	Very high	95.2	Very high	98 Å²	98	28.9 Å²	28.9	52%	0.524	18%	0.182	S	C	.	.			trans	-63.6	163.7	178.8	-64.6	-18.7	0	0	0	111.9	R982 A1011 R1019	R982-N1009 PolarHBondContact NH1-OD1 2.99Å; N1009-A1011 PolarHBondContact O-N 3.4Å; N1009-R1019 PolarHBondContact O-NH1 3.36Å; N1009-R1019 PolarHBondContact O-NH2 2.99Å
1010	V	90.3	Very high	95.3	Very high	63 Å²	63	25.7 Å²	25.7	38%	0.382	15%	0.149	S	C	.	.			trans	-59.7	128.6	163.2	-174.5	0	0	0	0	108.3	L981 F983	L981-V1010 HydrophobicContact CD1-CG2 4.12Å; L981-V1010 HydrophobicContact CD2-CG2 4.48Å; L981-V1010 HydrophobicContact CG-CG2 4.42Å; F983-V1010 HydrophobicContact CB-CG2 3.82Å; F983-V1010 HydrophobicContact CD2-CG2 3.53Å; F983-V1010 HydrophobicContact CE2-CG2 4.36Å; F983-V1010 HydrophobicContact CG-CG2 3.84Å
1011	A	91.9	Very high	95.4	Very high	20 Å²	20	25.3 Å²	25.3	17%	0.165	15%	0.147	C	C	.	.			trans	-108.2	168	-179.8	0	0	0	0	0	110.5	N1009 E1015 H1016	N1009-A1011 PolarHBondContact O-N 3.4Å; A1011-E1015 HydrophobicContact CB-CB 4.05Å; A1011-E1015 VanDerWaalsContact CB-CD 3.43Å; A1011-E1015 HydrophobicContact CB-CG 4.02Å; A1011-E1015 VanDerWaalsContact CB-OE1 3.22Å; A1011-E1015 WeakPolarHBondContact CB-OE1 3.05Å; A1011-H1016 HydrophobicContact CB-CB 4.33Å
1012	A	93.4	Very high	95.6	Very high	6 Å²	6	21.4 Å²	21.4	5%	0.05	13%	0.126	C	C	.	.			trans	-60.6	156.6	167.7	0	0	0	0	0	110.5	T17 A923 E1014 E1015 H1016	T17-A1012 HydrophobicContact CG2-CB 3.35Å; A923-A1012 HydrophobicContact CB-CB 3.69Å; A923-A1012 CarbonylContact O-C 3.54Å; A923-A1012 WeakPolarHBondContact O-CB 3.29Å; A1012-E1014 VanDerWaalsContact C-N 3.31Å; A1012-E1014 PolarHBondContact O-N 3.32Å; A1012-E1015 PolarHBondContact O-N 3.5Å; A1012-H1016 VanDerWaalsContact O-CB 3.31Å; A1012-H1016 WeakPolarHBondContact O-CB 3.43Å; A1012-H1016 PolarHBondContact O-N 3.4Å
1013	K	94.7	Very high	95.9	Very high	12 Å²	12	18.9 Å²	18.9	5%	0.052	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-41.3	-170.9	179.6	61.7	-176.4	-176.3	0	112.5	M818 A923 T924 V1017 D1040	M818-K1013 HydrophobicContact CE-CG 4.22Å; A923-K1013 PolarHBondContact O-N 3.27Å; A923-K1013 VanDerWaalsContact O-N 3.11Å; T924-K1013 WeakPolarHBondContact O-CB 3.44Å; K1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; K1013-V1017 PolarHBondContact O-N 3.09Å; K1013-D1040 IonicContact NZ-OD1 3.21Å; K1013-D1040 PolarHBondContact NZ-OD1 3.47Å; K1013-D1040 IonicContact NZ-OD2 3.88Å; K1013-D1040 PolarHBondContact NZ-OD2 2.8Å
1014	E	97.1	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-51.8	176.6	-173.6	-74.9	142.4	0	0	111.5	L819 H821 A922 A923 P929 L933 A1012 H1016 V1017 R1018	L819-E1014 HydrophobicContact CD2-CB 4.31Å; L819-E1014 HydrophobicContact CD2-CG 4.2Å; H821-E1014 IonicContact CD2-OE1 2.67Å; H821-E1014 IonicContact CE1-OE1 2.72Å; H821-E1014 IonicContact NE2-OE1 3.31Å; H821-E1014 PolarHBondContact NE2-OE1 3.17Å; A922-E1014 WeakPolarHBondContact O-CB 3.37Å; A922-E1014 WeakPolarHBondContact O-CG 3.49Å; A923-E1014 VanDerWaalsContact O-CB 3.32Å; A923-E1014 WeakPolarHBondContact O-CB 3.41Å; A923-E1014 PolarHBondContact O-N 2.95Å; P929-E1014 HydrophobicContact CG-CG 4.08Å; L933-E1014 WeakPolarHBondContact CD1-OE1 3.33Å; A1012-E1014 VanDerWaalsContact C-N 3.31Å; A1012-E1014 PolarHBondContact O-N 3.32Å; E1014-H1016 PolarHBondContact O-N 2.87Å; E1014-V1017 PolarHBondContact O-N 3.01Å; E1014-R1018 VanDerWaalsContact CD-NE 3.31Å; E1014-R1018 VanDerWaalsContact O-CB 3.29Å; E1014-R1018 WeakPolarHBondContact O-CB 3.47Å; E1014-R1018 PolarHBondContact O-N 3.47Å; E1014-R1018 WeakPolarHBondContact OE1-CD 3.43Å; E1014-R1018 IonicContact OE1-CZ 2.76Å; E1014-R1018 IonicContact OE1-NE 3.62Å; E1014-R1018 PolarHBondContact OE1-NE 3.26Å; E1014-R1018 IonicContact OE1-NH2 3.2Å; E1014-R1018 IonicContact OE2-CZ 3.02Å; E1014-R1018 IonicContact OE2-NE 3.06Å; E1014-R1018 PolarHBondContact OE2-NE 3.29Å; E1014-R1018 VanDerWaalsContact OE2-NE 3.12Å; E1014-R1018 IonicContact OE2-NH2 3.55Å; E1014-R1018 PolarHBondContact OE2-NH2 3.07Å
1015	E	96.8	Very high	96.2	Very high	22 Å²	22	13.4 Å²	13.4	10%	0.103	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-39.8	-179.6	-175.1	-155.9	133.9	0	0	111.6	Y940 A1011 A1012 V1017 R1018 R1019	Y940-E1015 VanDerWaalsContact OH-CG 3.27Å; Y940-E1015 WeakPolarHBondContact OH-CG 3.5Å; Y940-E1015 PolarHBondContact OH-OE1 3.44Å; A1011-E1015 HydrophobicContact CB-CB 4.05Å; A1011-E1015 VanDerWaalsContact CB-CD 3.43Å; A1011-E1015 HydrophobicContact CB-CG 4.02Å; A1011-E1015 VanDerWaalsContact CB-OE1 3.22Å; A1011-E1015 WeakPolarHBondContact CB-OE1 3.05Å; A1012-E1015 PolarHBondContact O-N 3.5Å; E1015-V1017 VanDerWaalsContact C-N 3.3Å; E1015-V1017 PolarHBondContact O-N 2.84Å; E1015-R1018 PolarHBondContact O-N 3.32Å; E1015-R1019 VanDerWaalsContact O-CB 3.28Å; E1015-R1019 WeakPolarHBondContact O-CB 3.43Å; E1015-R1019 VanDerWaalsContact O-CG 3.23Å; E1015-R1019 WeakPolarHBondContact O-CG 3.47Å; E1015-R1019 PolarHBondContact O-N 3.09Å; E1015-R1019 IonicContact OE1-NH1 3.98Å
1016	H	95.8	Very high	96.3	Very high	8 Å²	8	13.4 Å²	13.4	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-57	-42.8	176.5	178.9	95.1	0	0	0	111.9	A1011 A1012 E1014 D1040	A1011-H1016 HydrophobicContact CB-CB 4.33Å; A1012-H1016 VanDerWaalsContact O-CB 3.31Å; A1012-H1016 WeakPolarHBondContact O-CB 3.43Å; A1012-H1016 PolarHBondContact O-N 3.4Å; E1014-H1016 PolarHBondContact O-N 2.87Å; H1016-D1040 IonicContact CD2-OD2 2.94Å; H1016-D1040 IonicContact NE2-OD2 3.11Å
1017	V	97.8	Very high	96.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-73.7	-58.1	174.3	-179.9	0	0	0	0	109.8	L819 L822 K1013 E1014 E1015 R1019 G1020 D1040 T1044	L819-V1017 HydrophobicContact CD1-CB 3.69Å; L819-V1017 HydrophobicContact CD1-CG1 3.63Å; L819-V1017 HydrophobicContact CD1-CG2 3.66Å; L822-V1017 HydrophobicContact CD1-CB 4.32Å; L822-V1017 HydrophobicContact CD1-CG1 3.72Å; K1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; K1013-V1017 PolarHBondContact O-N 3.09Å; E1014-V1017 PolarHBondContact O-N 3.01Å; E1015-V1017 VanDerWaalsContact C-N 3.3Å; E1015-V1017 PolarHBondContact O-N 2.84Å; V1017-R1019 VanDerWaalsContact C-N 3.26Å; V1017-R1019 PolarHBondContact O-N 2.92Å; V1017-R1019 VanDerWaalsContact O-N 3.09Å; V1017-G1020 WeakPolarHBondContact O-CA 3.32Å; V1017-G1020 PolarHBondContact O-N 2.76Å; V1017-D1040 HydrophobicContact CG2-CB 3.86Å; V1017-T1044 HydrophobicContact CG1-CG2 4.02Å; V1017-T1044 WeakPolarHBondContact O-CG2 3.47Å
1018	R	98	Very high	96.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-51.3	-39.9	-175.2	177.1	170.9	45.8	73	3.4	113.8	L822 G912 T935 E1014 E1015 G1020 Q1021	L822-R1018 HydrophobicContact CD1-CB 4.13Å; L822-R1018 HydrophobicContact CD2-CB 3.97Å; L822-R1018 HydrophobicContact CD2-CG 3.9Å; G912-R1018 PolarHBondContact O-NH2 3.28Å; T935-R1018 HydrophobicContact CG2-CG 4.29Å; T935-R1018 VanDerWaalsContact OG1-CD 3.26Å; T935-R1018 WeakPolarHBondContact OG1-CD 3.46Å; T935-R1018 WeakPolarHBondContact OG1-CG 3.44Å; T935-R1018 PolarHBondContact OG1-NH1 3.29Å; E1014-R1018 VanDerWaalsContact CD-NE 3.31Å; E1014-R1018 VanDerWaalsContact O-CB 3.29Å; E1014-R1018 WeakPolarHBondContact O-CB 3.47Å; E1014-R1018 PolarHBondContact O-N 3.47Å; E1014-R1018 WeakPolarHBondContact OE1-CD 3.43Å; E1014-R1018 IonicContact OE1-CZ 2.76Å; E1014-R1018 IonicContact OE1-NE 3.62Å; E1014-R1018 PolarHBondContact OE1-NE 3.26Å; E1014-R1018 IonicContact OE1-NH2 3.2Å; E1014-R1018 IonicContact OE2-CZ 3.02Å; E1014-R1018 IonicContact OE2-NE 3.06Å; E1014-R1018 PolarHBondContact OE2-NE 3.29Å; E1014-R1018 VanDerWaalsContact OE2-NE 3.12Å; E1014-R1018 IonicContact OE2-NH2 3.55Å; E1014-R1018 PolarHBondContact OE2-NH2 3.07Å; E1015-R1018 PolarHBondContact O-N 3.32Å; R1018-G1020 PolarHBondContact O-N 3.18Å; R1018-Q1021 WeakPolarHBondContact O-CG 3.4Å; R1018-Q1021 PolarHBondContact O-N 3.04Å; R1018-Q1021 PolarHBondContact O-NE2 3.01Å
1019	R	97.2	Very high	96.7	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.008	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-69.2	-17.6	179	81.1	-170.2	-173.7	179	5.3	113.7	Y940 F952 W979 N1009 E1015 V1017 Q1021 L1022	Y940-R1019 HydrophobicContact CE1-CB 4.43Å; Y940-R1019 HydrophobicContact CE2-CB 3.8Å; F952-R1019 HydrophobicContact CE2-CG 4.03Å; F952-R1019 HydrophobicContact CZ-CG 4.19Å; W979-R1019 HydrophobicContact CH2-CB 4.02Å; W979-R1019 HydrophobicContact CH2-CG 3.84Å; W979-R1019 HydrophobicContact CZ2-CG 4.44Å; N1009-R1019 PolarHBondContact O-NH1 3.36Å; N1009-R1019 PolarHBondContact O-NH2 2.99Å; E1015-R1019 VanDerWaalsContact O-CB 3.28Å; E1015-R1019 WeakPolarHBondContact O-CB 3.43Å; E1015-R1019 VanDerWaalsContact O-CG 3.23Å; E1015-R1019 WeakPolarHBondContact O-CG 3.47Å; E1015-R1019 PolarHBondContact O-N 3.09Å; E1015-R1019 IonicContact OE1-NH1 3.98Å; V1017-R1019 VanDerWaalsContact C-N 3.26Å; V1017-R1019 PolarHBondContact O-N 2.92Å; V1017-R1019 VanDerWaalsContact O-N 3.09Å; R1019-Q1021 PolarHBondContact O-N 3.48Å; R1019-L1022 WeakPolarHBondContact O-CB 3.34Å; R1019-L1022 PolarHBondContact O-N 3.3Å; R1019-L1022 VanDerWaalsContact O-N 3.1Å
1020	G	97.7	Very high	96.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.3	173.9	0	0	0	0	0	113.8	V1017 R1018 L1022 A1023 T1046	V1017-G1020 WeakPolarHBondContact O-CA 3.32Å; V1017-G1020 PolarHBondContact O-N 2.76Å; R1018-G1020 PolarHBondContact O-N 3.18Å; G1020-L1022 PolarHBondContact O-N 3.25Å; G1020-A1023 PolarHBondContact O-N 3.47Å; G1020-T1046 PolarHBondContact O-OG1 3.5Å
1021	Q	98.1	Very high	97.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-62.6	-23.1	173.7	-62	173.1	105.6	0	0	113.3	I841 N843 R1018 R1019 A1023 T1044	I841-Q1021 HydrophobicContact CD1-CB 3.51Å; N843-Q1021 PolarHBondContact ND2-OE1 3.2Å; N843-Q1021 PolarHBondContact OD1-NE2 3.44Å; R1018-Q1021 WeakPolarHBondContact O-CG 3.4Å; R1018-Q1021 PolarHBondContact O-N 3.04Å; R1018-Q1021 PolarHBondContact O-NE2 3.01Å; R1019-Q1021 PolarHBondContact O-N 3.48Å; Q1021-A1023 VanDerWaalsContact C-N 3.34Å; Q1021-T1044 HydrophobicContact CG-CG2 3.82Å
1022	L	98.1	Very high	97.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-78.2	-18.7	-179.8	-57.1	176.3	0	0	0	113.4	S838 I841 T935 S936 R937 Y940 W979 R1019 G1020	S838-L1022 VanDerWaalsContact O-CA 3.31Å; S838-L1022 WeakPolarHBondContact O-CA 3.31Å; S838-L1022 WeakPolarHBondContact O-CD2 3.33Å; I841-L1022 HydrophobicContact CD1-CD2 4.37Å; T935-L1022 HydrophobicContact CG2-CD1 3.92Å; T935-L1022 HydrophobicContact CG2-CD2 4.2Å; T935-L1022 HydrophobicContact CG2-CG 4.08Å; S936-L1022 VanDerWaalsContact C-CD1 3.44Å; S936-L1022 VanDerWaalsContact O-CD1 3.23Å; S936-L1022 WeakPolarHBondContact O-CD1 3.5Å; R937-L1022 HydrophobicContact CG-CB 4.29Å; R937-L1022 HydrophobicContact CG-CD2 4.44Å; R937-L1022 PolarHBondContact NE-O 2.91Å; R937-L1022 PolarHBondContact NH2-O 2.76Å; Y940-L1022 HydrophobicContact CD2-CD1 3.48Å; Y940-L1022 VanDerWaalsContact CD2-CD1 3.48Å; Y940-L1022 HydrophobicContact CE2-CD1 3.69Å; W979-L1022 HydrophobicContact CH2-CD1 4.39Å; W979-L1022 HydrophobicContact CZ3-CB 4.25Å; R1019-L1022 WeakPolarHBondContact O-CB 3.34Å; R1019-L1022 PolarHBondContact O-N 3.3Å; R1019-L1022 VanDerWaalsContact O-N 3.1Å; G1020-L1022 PolarHBondContact O-N 3.25Å
1023	A	98.2	Very high	97.6	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.			trans	-78.8	143.1	175.6	0	0	0	0	0	110.6	V948 C950 G1020 Q1021 T1046 R1099	V948-A1023 HydrophobicContact CG1-CB 4.13Å; C950-A1023 HydrophobicContact CB-CB 3.8Å; C950-A1023 WeakPolarHBondContact SG-CB 3.46Å; G1020-A1023 PolarHBondContact O-N 3.47Å; Q1021-A1023 VanDerWaalsContact C-N 3.34Å; A1023-T1046 HydrophobicContact CB-CG2 4.09Å; A1023-R1099 PolarHBondContact O-NH1 3.29Å
1024	D	98.5	Very high	97.7	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.005	2%	0.017	C	C	.	.	S	Bend	trans	-76.2	-45.2	172.6	-67.2	-86	0	0	0	110.2	R836 R937 I947 V948 P1047 L1095 R1099	R836-D1024 IonicContact CZ-OD1 3.17Å; R836-D1024 IonicContact NE-OD1 2.69Å; R836-D1024 IonicContact NH1-OD1 2.69Å; R836-D1024 PolarHBondContact NH1-OD1 2.73Å; R937-D1024 IonicContact CZ-OD2 2.84Å; R937-D1024 IonicContact NH1-OD2 3.66Å; R937-D1024 IonicContact NH2-OD1 2.71Å; R937-D1024 IonicContact NH2-OD2 3.97Å; R937-D1024 PolarHBondContact NH2-OD2 3.19Å; I947-D1024 WeakPolarHBondContact CA-OD2 3.45Å; I947-D1024 HydrophobicContact CD1-CB 4.25Å; I947-D1024 HydrophobicContact CG2-CB 4.16Å; V948-D1024 PolarHBondContact N-OD2 2.8Å; V948-D1024 PolarHBondContact O-N 3.08Å; D1024-P1047 WeakPolarHBondContact O-CD 3.38Å; D1024-L1095 HydrophobicContact CB-CD1 4.47Å; D1024-L1095 HydrophobicContact CB-CD2 4.11Å; D1024-R1099 PolarHBondContact O-NH1 3.3Å
1025	V	98.7	Very high	97.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	139	-173.8	-178	0	0	0	0	110.4	V948 F949 C950 L1027 P1047 V1049 L1088 L1095	V948-V1025 PolarHBondContact O-N 3.37Å; F949-V1025 CarbonylContact C-O 3.6Å; F949-V1025 VanDerWaalsContact CA-O 3.25Å; F949-V1025 WeakPolarHBondContact CA-O 3.46Å; F949-V1025 HydrophobicContact CD1-CB 3.78Å; F949-V1025 HydrophobicContact CD1-CG1 4.09Å; F949-V1025 HydrophobicContact CE1-CB 3.92Å; F949-V1025 HydrophobicContact CE1-CG1 4.12Å; F949-V1025 HydrophobicContact CE1-CG2 4.23Å; C950-V1025 PolarHBondContact N-O 3.39Å; V1025-L1027 HydrophobicContact CG1-CD2 4.26Å; V1025-P1047 CarbonylContact C-O 3.55Å; V1025-V1049 HydrophobicContact CG1-CG2 3.92Å; V1025-L1088 HydrophobicContact CG1-CD1 4.08Å; V1025-L1088 HydrophobicContact CG2-CB 3.74Å; V1025-L1088 HydrophobicContact CG2-CD1 4.24Å; V1025-L1095 HydrophobicContact CG2-CD1 3.7Å
1026	C	98.8	Very high	97.8	Very high	3 Å²	3	4.3 Å²	4.3	2%	0.02	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.5	167.2	-176.2	0	0	0	0	111.4	C950 I1041 T1046 P1047 M1048 V1049	C950-C1026 CarbonylContact O-C 3.52Å; C950-C1026 VanDerWaalsContact O-CA 3.31Å; C950-C1026 WeakPolarHBondContact O-CA 3.42Å; C950-C1026 PolarHBondContact O-SG 3.06Å; C1026-I1041 HydrophobicContact CB-CG1 4.39Å; C1026-I1041 HydrophobicContact CB-CG2 3.47Å; C1026-I1041 VanDerWaalsContact CB-CG2 3.47Å; C1026-T1046 HydrophobicContact CB-CG2 4.49Å; C1026-P1047 PolarHBondContact N-O 2.95Å; C1026-M1048 HydrophobicContact CB-CB 4.15Å; C1026-M1048 HydrophobicContact CB-CG 4.23Å; C1026-M1048 CarbonylContact O-C 3.6Å; C1026-M1048 WeakPolarHBondContact O-CA 3.49Å; C1026-V1049 PolarHBondContact O-N 3.17Å
1027	L	98.9	Very high	97.8	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	99.6	175	-60.7	-176.1	0	0	0	108.9	F949 C950 N951 W966 I969 L978 V1025 V1049 Y1081 A1085	F949-L1027 HydrophobicContact CB-CD1 3.85Å; F949-L1027 HydrophobicContact CB-CG 4.11Å; F949-L1027 HydrophobicContact CD1-CD1 3.81Å; F949-L1027 HydrophobicContact CD1-CD2 3.73Å; F949-L1027 HydrophobicContact CD1-CG 3.73Å; F949-L1027 HydrophobicContact CE1-CD2 4.12Å; F949-L1027 HydrophobicContact CG-CD1 3.9Å; F949-L1027 HydrophobicContact CG-CG 4.21Å; C950-L1027 PolarHBondContact O-N 3.02Å; N951-L1027 PolarHBondContact ND2-O 3.41Å; W966-L1027 HydrophobicContact CG-CD1 4.08Å; W966-L1027 HydrophobicContact CZ2-CB 4.3Å; W966-L1027 VanDerWaalsContact CZ2-O 3.24Å; W966-L1027 WeakPolarHBondContact CZ2-O 3.41Å; I969-L1027 HydrophobicContact CD1-CD1 3.97Å; I969-L1027 HydrophobicContact CD1-CD2 4.18Å; L978-L1027 HydrophobicContact CD1-CD1 4.35Å; V1025-L1027 HydrophobicContact CG1-CD2 4.26Å; L1027-V1049 HydrophobicContact CD2-CB 4.39Å; L1027-Y1081 WeakPolarHBondContact CB-OH 3.28Å; L1027-A1085 HydrophobicContact CD2-CB 3.64Å
1028	D	98.8	Very high	97.8	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.023	C	C	.	.			trans	-70.3	152.6	-177.7	179.1	46.3	0	0	0	112.4	P1030 N1033 G1034 M1048 V1049 T1050 A1061 Y1081	D1028-P1030 VanDerWaalsContact O-CD 3.32Å; D1028-P1030 WeakPolarHBondContact O-CD 3Å; D1028-N1033 VanDerWaalsContact OD1-CA 3.27Å; D1028-N1033 WeakPolarHBondContact OD1-CA 3.44Å; D1028-N1033 VanDerWaalsContact OD2-CB 3.3Å; D1028-N1033 WeakPolarHBondContact OD2-CB 3.41Å; D1028-N1033 VanDerWaalsContact OD2-CG 3.27Å; D1028-N1033 PolarHBondContact OD2-ND2 3.17Å; D1028-G1034 PolarHBondContact OD1-N 2.93Å; D1028-M1048 HydrophobicContact CB-CG 3.87Å; D1028-M1048 HydrophobicContact CB-SD 4.02Å; D1028-V1049 VanDerWaalsContact CB-O 3.26Å; D1028-V1049 WeakPolarHBondContact CB-O 3.29Å; D1028-V1049 PolarHBondContact N-O 2.93Å; D1028-T1050 WeakPolarHBondContact OD2-CB 3.42Å; D1028-T1050 PolarHBondContact OD2-OG1 3.15Å; D1028-A1061 WeakPolarHBondContact OD2-CB 3.11Å; D1028-Y1081 PolarHBondContact N-OH 2.67Å; D1028-Y1081 PolarHBondContact O-OH 2.98Å
1029	T	98.4	Very high	97.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.			trans	-86.4	110.8	179.6	32.9	0	0	0	0	111.3	K957 I958 T962 W966 L1031 C1032 N1033	K957-T1029 HydrophobicContact CB-CG2 4.09Å; K957-T1029 WeakPolarHBondContact O-CB 3.36Å; K957-T1029 WeakPolarHBondContact O-CG2 3.49Å; I958-T1029 HydrophobicContact CG1-CG2 3.89Å; T962-T1029 HydrophobicContact CG2-CG2 4.16Å; W966-T1029 HydrophobicContact CH2-CG2 3.82Å; W966-T1029 HydrophobicContact CZ2-CG2 3.92Å; T1029-L1031 VanDerWaalsContact C-N 3.32Å; T1029-L1031 PolarHBondContact O-N 3.2Å; T1029-C1032 WeakPolarHBondContact CB-O 3.43Å; T1029-C1032 CarbonylContact O-C 3.6Å; T1029-C1032 PolarHBondContact O-N 3.02Å; T1029-C1032 PolarHBondContact OG1-O 3.11Å; T1029-N1033 WeakPolarHBondContact O-CA 3.37Å; T1029-N1033 PolarHBondContact O-N 2.93Å; T1029-N1033 PolarHBondContact O-ND2 3.25Å
1030	P	98	Very high	97.9	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.006	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.7	-176.7	-23.9	35.9	0	0	0	114.9	M965 D1028 C1032 M1051 L1053 S1058 Y1081	M965-P1030 HydrophobicContact CE-CG 3.83Å; D1028-P1030 VanDerWaalsContact O-CD 3.32Å; D1028-P1030 WeakPolarHBondContact O-CD 3Å; P1030-C1032 VanDerWaalsContact C-N 3.33Å; P1030-C1032 PolarHBondContact O-N 3.36Å; P1030-M1051 HydrophobicContact CB-CB 4.34Å; P1030-M1051 HydrophobicContact CB-CE 3.63Å; P1030-M1051 HydrophobicContact CG-CB 4.2Å; P1030-M1051 HydrophobicContact CG-CE 3.83Å; P1030-L1053 HydrophobicContact CB-CD1 4.43Å; P1030-L1053 HydrophobicContact CB-CG 4.43Å; P1030-L1053 WeakPolarHBondContact O-CD1 3.44Å; P1030-S1058 WeakPolarHBondContact O-CB 3.21Å; P1030-Y1081 HydrophobicContact CG-CE2 4.41Å
1031	L	96	Very high	97.9	Very high	26 Å²	26	4.2 Å²	4.2	14%	0.136	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-42.6	178.3	176.2	62.1	0	0	0	111.7	L616 D959 T1029	L616-L1031 HydrophobicContact CD2-CD2 4.3Å; L616-L1031 HydrophobicContact CD2-CG 4.44Å; D959-L1031 HydrophobicContact CB-CD2 4.04Å; T1029-L1031 VanDerWaalsContact C-N 3.32Å; T1029-L1031 PolarHBondContact O-N 3.2Å
1032	C	96.9	Very high	97.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	S	Bend	trans	-155.6	119.8	175	175.8	0	0	0	0	106.5	L616 K957 T1029 P1030	L616-C1032 HydrophobicContact CD2-CB 4.1Å; K957-C1032 HydrophobicContact CB-CB 4.49Å; K957-C1032 HydrophobicContact CD-CB 4.11Å; K957-C1032 VanDerWaalsContact CD-O 3.32Å; K957-C1032 WeakPolarHBondContact CD-O 3.43Å; K957-C1032 HydrophobicContact CG-CB 4.21Å; T1029-C1032 WeakPolarHBondContact CB-O 3.43Å; T1029-C1032 CarbonylContact O-C 3.6Å; T1029-C1032 PolarHBondContact O-N 3.02Å; T1029-C1032 PolarHBondContact OG1-O 3.11Å; P1030-C1032 VanDerWaalsContact C-N 3.33Å; P1030-C1032 PolarHBondContact O-N 3.36Å
1033	N	98.2	Very high	97.9	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.			trans	-71.6	168	-171.4	-50.6	136.8	0	0	0	112.6	K957 D1028 T1029 H1035 T1050 A1057 S1058 R1059 V1060 A1061	K957-N1033 PolarHBondContact NZ-O 3.01Å; D1028-N1033 VanDerWaalsContact OD1-CA 3.27Å; D1028-N1033 WeakPolarHBondContact OD1-CA 3.44Å; D1028-N1033 VanDerWaalsContact OD2-CB 3.3Å; D1028-N1033 WeakPolarHBondContact OD2-CB 3.41Å; D1028-N1033 VanDerWaalsContact OD2-CG 3.27Å; D1028-N1033 PolarHBondContact OD2-ND2 3.17Å; T1029-N1033 WeakPolarHBondContact O-CA 3.37Å; T1029-N1033 PolarHBondContact O-N 2.93Å; T1029-N1033 PolarHBondContact O-ND2 3.25Å; N1033-H1035 PolarHBondContact O-CD2 3.02Å; N1033-H1035 VanDerWaalsContact O-CD2 3.22Å; N1033-H1035 PolarHBondContact O-N 3.24Å; N1033-H1035 PolarHBondContact O-NE2 3.19Å; N1033-T1050 PolarHBondContact ND2-OG1 2.94Å; N1033-A1057 PolarHBondContact N-O 3.49Å; N1033-A1057 PolarHBondContact OD1-O 3.06Å; N1033-S1058 PolarHBondContact ND2-O 3.37Å; N1033-S1058 WeakPolarHBondContact OD1-CA 3.19Å; N1033-S1058 PolarHBondContact OD1-O 3Å; N1033-R1059 WeakPolarHBondContact OD1-CA 3.26Å; N1033-R1059 PolarHBondContact OD1-N 2.64Å; N1033-V1060 PolarHBondContact OD1-N 3.4Å; N1033-A1061 HydrophobicContact CB-CB 3.61Å; N1033-A1061 PolarHBondContact OD1-N 3.01Å; N1033-A1061 VanDerWaalsContact OD1-N 3.08Å
1034	G	96.3	Very high	97.9	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.01	2%	0.024	C	C	.	.			trans	-58.6	113.4	151.4	0	0	0	0	0	110.5	N953 D1028	N953-G1034 VanDerWaalsContact OD1-CA 3.29Å; N953-G1034 WeakPolarHBondContact OD1-CA 3.42Å; D1028-G1034 PolarHBondContact OD1-N 2.93Å
1035	H	97.6	Very high	97.7	Very high	26 Å²	26	4.5 Å²	4.5	12%	0.12	3%	0.025	C	C	.	.	S	Bend	trans	-89.5	-89.1	174.5	-58.3	163.9	0	0	0	107.8	F811 N1033 T1037 G1038 M1039 A1057 V1060 Q1064	F811-H1035 HydrophobicContact CE2-CB 3.91Å; F811-H1035 HydrophobicContact CZ-CB 3.63Å; N1033-H1035 PolarHBondContact O-CD2 3.02Å; N1033-H1035 VanDerWaalsContact O-CD2 3.22Å; N1033-H1035 PolarHBondContact O-N 3.24Å; N1033-H1035 PolarHBondContact O-NE2 3.19Å; H1035-T1037 VanDerWaalsContact C-N 3.26Å; H1035-T1037 PolarHBondContact O-N 3.49Å; H1035-G1038 PolarHBondContact O-N 3.14Å; H1035-M1039 PolarHBondContact O-N 3.46Å; H1035-A1057 PolarHBondContact NE2-O 2.86Å; H1035-V1060 HydrophobicContact CB-CG1 4.47Å; H1035-Q1064 PolarHBondContact O-NE2 3Å
1036	T	96.9	Very high	97.7	Very high	18 Å²	18	4.5 Å²	4.5	11%	0.11	3%	0.025	C	C	.	.	H	α-helix	trans	-53.7	-43.5	166	-46.8	0	0	0	0	111.5	P676 L680 G1038 M1039 D1040	P676-T1036 HydrophobicContact CB-CG2 4.13Å; L680-T1036 HydrophobicContact CD2-CG2 3.99Å; L680-T1036 HydrophobicContact CG-CG2 4.41Å; T1036-G1038 PolarHBondContact O-N 3.48Å; T1036-M1039 WeakPolarHBondContact O-CB 3.44Å; T1036-M1039 PolarHBondContact O-N 2.98Å; T1036-M1039 VanDerWaalsContact O-N 3.13Å; T1036-D1040 PolarHBondContact O-N 3.33Å
1037	T	97.1	Very high	97.7	Very high	6 Å²	6	4.4 Å²	4.4	4%	0.037	2%	0.024	C	C	.	.	H	α-helix	trans	-62.2	-29	178	-47.9	0	0	0	0	113	F952 H1035 I1041	F952-T1037 HydrophobicContact CB-CG2 3.95Å; H1035-T1037 VanDerWaalsContact C-N 3.26Å; H1035-T1037 PolarHBondContact O-N 3.49Å; T1037-I1041 WeakPolarHBondContact O-CG1 3.36Å; T1037-I1041 PolarHBondContact O-N 3.35Å; T1037-I1041 VanDerWaalsContact O-N 3.12Å
1038	G	97.8	Very high	97.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-67.3	-46.7	173.5	0	0	0	0	0	111	H1035 T1036 D1040 I1041 L1042	H1035-G1038 PolarHBondContact O-N 3.14Å; T1036-G1038 PolarHBondContact O-N 3.48Å; G1038-D1040 PolarHBondContact O-N 2.96Å; G1038-I1041 PolarHBondContact O-N 3.04Å; G1038-L1042 WeakPolarHBondContact O-CB 3.41Å; G1038-L1042 VanDerWaalsContact O-CG 3.28Å; G1038-L1042 WeakPolarHBondContact O-CG 3.4Å; G1038-L1042 PolarHBondContact O-N 3.21Å
1039	M	98.4	Very high	97.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.8	-43.4	173.6	-54.1	-59.5	-78	0	0	112	L680 F811 H1035 T1036 I1041 L1042 W1043 Q1064 L1111 F1112	L680-M1039 HydrophobicContact CD2-CG 4.26Å; F811-M1039 HydrophobicContact CD1-CE 4.47Å; F811-M1039 HydrophobicContact CD1-CG 3.52Å; F811-M1039 HydrophobicContact CD1-SD 3.78Å; F811-M1039 HydrophobicContact CE1-CG 3.59Å; F811-M1039 HydrophobicContact CE1-SD 4.45Å; H1035-M1039 PolarHBondContact O-N 3.46Å; T1036-M1039 WeakPolarHBondContact O-CB 3.44Å; T1036-M1039 PolarHBondContact O-N 2.98Å; T1036-M1039 VanDerWaalsContact O-N 3.13Å; M1039-I1041 VanDerWaalsContact C-N 3.31Å; M1039-I1041 PolarHBondContact O-N 2.87Å; M1039-L1042 PolarHBondContact O-N 3.19Å; M1039-W1043 WeakPolarHBondContact O-CB 3.39Å; M1039-W1043 PolarHBondContact O-N 3.35Å; M1039-Q1064 HydrophobicContact SD-CG 3.76Å; M1039-Q1064 PolarHBondContact SD-NE2 3.42Å; M1039-L1111 HydrophobicContact CE-CD1 3.62Å; M1039-L1111 HydrophobicContact CE-CD2 4.38Å; M1039-L1111 HydrophobicContact CE-CG 3.72Å; M1039-L1111 WeakPolarHBondContact CE-O 3.31Å; M1039-L1111 HydrophobicContact SD-CD1 3.76Å; M1039-L1111 HydrophobicContact SD-CD2 4.25Å; M1039-L1111 HydrophobicContact SD-CG 4.11Å; M1039-F1112 HydrophobicContact CB-CE1 4.13Å; M1039-F1112 HydrophobicContact CB-CZ 4.39Å; M1039-F1112 HydrophobicContact CE-CD1 4Å; M1039-F1112 HydrophobicContact CE-CE1 3.7Å; M1039-F1112 HydrophobicContact CE-CZ 4.02Å; M1039-F1112 WeakPolarHBondContact O-CZ 3.36Å
1040	D	98.1	Very high	97.7	Very high	2 Å²	2	4.4 Å²	4.4	1%	0.011	2%	0.024	C	C	.	.	H	α-helix	trans	-56	-44.5	177.4	-68.7	-12.9	0	0	0	111.7	H815 K1013 H1016 V1017 T1036 G1038	H815-D1040 IonicContact CD2-OD1 3.23Å; H815-D1040 IonicContact CE1-OD1 3.42Å; H815-D1040 IonicContact NE2-OD1 3.42Å; H815-D1040 PolarHBondContact NE2-OD1 3.45Å; K1013-D1040 IonicContact NZ-OD1 3.21Å; K1013-D1040 PolarHBondContact NZ-OD1 3.47Å; K1013-D1040 IonicContact NZ-OD2 3.88Å; K1013-D1040 PolarHBondContact NZ-OD2 2.8Å; H1016-D1040 IonicContact CD2-OD2 2.94Å; H1016-D1040 IonicContact NE2-OD2 3.11Å; V1017-D1040 HydrophobicContact CG2-CB 3.86Å; T1036-D1040 PolarHBondContact O-N 3.33Å; G1038-D1040 PolarHBondContact O-N 2.96Å
1041	I	98.1	Very high	97.7	Very high	3 Å²	3	4.7 Å²	4.7	2%	0.015	3%	0.026	C	C	.	.	H	α-helix	trans	-74.3	-41.7	178.6	-71.8	-63.7	0	0	0	112.5	F952 C1026 T1037 G1038 M1039 W1043 T1044 T1046 M1048	F952-I1041 HydrophobicContact CD2-CD1 3.81Å; F952-I1041 HydrophobicContact CE2-CD1 4.01Å; C1026-I1041 HydrophobicContact CB-CG1 4.39Å; C1026-I1041 HydrophobicContact CB-CG2 3.47Å; C1026-I1041 VanDerWaalsContact CB-CG2 3.47Å; T1037-I1041 WeakPolarHBondContact O-CG1 3.36Å; T1037-I1041 PolarHBondContact O-N 3.35Å; T1037-I1041 VanDerWaalsContact O-N 3.12Å; G1038-I1041 PolarHBondContact O-N 3.04Å; M1039-I1041 VanDerWaalsContact C-N 3.31Å; M1039-I1041 PolarHBondContact O-N 2.87Å; I1041-W1043 VanDerWaalsContact C-N 3.27Å; I1041-W1043 PolarHBondContact O-N 2.78Å; I1041-T1044 PolarHBondContact O-N 3.45Å; I1041-T1044 PolarHBondContact O-OG1 3.01Å; I1041-T1046 HydrophobicContact CG2-CG2 4.19Å; I1041-T1046 WeakPolarHBondContact CG2-O 3.49Å; I1041-T1046 PolarHBondContact O-N 3.03Å; I1041-M1048 HydrophobicContact CG2-CB 4.31Å
1042	L	98.3	Very high	97.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-67.8	-30.6	-179.9	-67.1	175.1	0	0	0	111.6	G1038 M1039 T1044 G1045 M1048 Q1064 L1065 L1068 V1102 L1111 F1112	G1038-L1042 WeakPolarHBondContact O-CB 3.41Å; G1038-L1042 VanDerWaalsContact O-CG 3.28Å; G1038-L1042 WeakPolarHBondContact O-CG 3.4Å; G1038-L1042 PolarHBondContact O-N 3.21Å; M1039-L1042 PolarHBondContact O-N 3.19Å; L1042-T1044 PolarHBondContact O-N 2.91Å; L1042-G1045 PolarHBondContact O-N 3.3Å; L1042-G1045 VanDerWaalsContact O-N 3.1Å; L1042-M1048 HydrophobicContact CD1-CE 3.94Å; L1042-M1048 HydrophobicContact CD2-CB 4.1Å; L1042-M1048 HydrophobicContact CD2-CE 4.44Å; L1042-M1048 HydrophobicContact CG-CE 4.19Å; L1042-Q1064 HydrophobicContact CD1-CB 3.96Å; L1042-L1065 HydrophobicContact CD1-CD2 4.44Å; L1042-L1065 HydrophobicContact CD2-CD2 3.98Å; L1042-L1068 HydrophobicContact CB-CD2 4.37Å; L1042-L1068 HydrophobicContact CD1-CD2 4.11Å; L1042-L1068 HydrophobicContact CD2-CD2 3.75Å; L1042-L1068 HydrophobicContact CG-CD2 4.28Å; L1042-V1102 HydrophobicContact CD2-CG1 4.15Å; L1042-L1111 HydrophobicContact CD1-CD2 3.78Å; L1042-F1112 HydrophobicContact CB-CE2 4.32Å; L1042-F1112 HydrophobicContact CB-CZ 4.19Å
1043	W	98	Very high	97.7	Very high	3 Å²	3	7.6 Å²	7.6	1%	0.011	4%	0.042	C	C	.	.	H	α-helix	trans	-64.1	-25.4	174.6	-168.5	-114.6	0	0	0	113.5	H815 A816 L819 M1039 I1041 G1045 R1106 T1107 F1112	H815-W1043 HydrophobicContact CB-CB 4.13Å; H815-W1043 HydrophobicContact CB-CD2 3.52Å; H815-W1043 HydrophobicContact CB-CE3 4.01Å; H815-W1043 HydrophobicContact CB-CG 3.54Å; H815-W1043 AromaticContact CD2-CG 4Å; A816-W1043 HydrophobicContact CB-CH2 3.65Å; A816-W1043 HydrophobicContact CB-CZ2 4.23Å; A816-W1043 HydrophobicContact CB-CZ3 4.2Å; L819-W1043 PolarHBondContact O-NE1 3.14Å; M1039-W1043 WeakPolarHBondContact O-CB 3.39Å; M1039-W1043 PolarHBondContact O-N 3.35Å; I1041-W1043 VanDerWaalsContact C-N 3.27Å; I1041-W1043 PolarHBondContact O-N 2.78Å; W1043-G1045 VanDerWaalsContact C-N 3.26Å; W1043-G1045 PolarHBondContact O-N 2.84Å; W1043-R1106 HydrophobicContact CE3-CB 4.31Å; W1043-R1106 HydrophobicContact CE3-CG 4.22Å; W1043-R1106 HydrophobicContact CZ3-CB 4.44Å; W1043-R1106 HydrophobicContact CZ3-CG 4.17Å; W1043-R1106 VanDerWaalsContact O-CD 3.29Å; W1043-R1106 WeakPolarHBondContact O-CD 3.4Å; W1043-R1106 PolarHBondContact O-NH1 3.5Å; W1043-T1107 HydrophobicContact CH2-CG2 4.42Å; W1043-F1112 HydrophobicContact CB-CE1 4.06Å; W1043-F1112 HydrophobicContact CB-CZ 3.96Å; W1043-F1112 HydrophobicContact CD2-CD1 4.47Å; W1043-F1112 HydrophobicContact CD2-CE1 4.38Å; W1043-F1112 HydrophobicContact CE3-CB 4.23Å; W1043-F1112 AromaticContact CE3-CD1 3.65Å; W1043-F1112 HydrophobicContact CE3-CD1 3.65Å; W1043-F1112 AromaticContact CE3-CD2 3.78Å; W1043-F1112 HydrophobicContact CE3-CD2 3.78Å; W1043-F1112 AromaticContact CE3-CE1 3.81Å; W1043-F1112 HydrophobicContact CE3-CE1 3.81Å; W1043-F1112 AromaticContact CE3-CE2 3.95Å; W1043-F1112 HydrophobicContact CE3-CE2 3.95Å; W1043-F1112 AromaticContact CE3-CG 3.62Å; W1043-F1112 HydrophobicContact CE3-CG 3.62Å; W1043-F1112 AromaticContact CE3-CZ 3.97Å; W1043-F1112 HydrophobicContact CE3-CZ 3.97Å; W1043-F1112 HydrophobicContact CZ3-CB 3.84Å; W1043-F1112 HydrophobicContact CZ3-CD1 4.13Å; W1043-F1112 HydrophobicContact CZ3-CD2 4.04Å; W1043-F1112 AromaticContact CZ3-CG 3.75Å; W1043-F1112 HydrophobicContact CZ3-CG 3.75Å
1044	T	97.1	Very high	97.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	1.2	175.3	66	0	0	0	0	114.2	V1017 Q1021 I1041 L1042 T1046	V1017-T1044 HydrophobicContact CG1-CG2 4.02Å; V1017-T1044 WeakPolarHBondContact O-CG2 3.47Å; Q1021-T1044 HydrophobicContact CG-CG2 3.82Å; I1041-T1044 PolarHBondContact O-N 3.45Å; I1041-T1044 PolarHBondContact O-OG1 3.01Å; L1042-T1044 PolarHBondContact O-N 2.91Å; T1044-T1046 PolarHBondContact O-N 2.94Å; T1044-T1046 WeakPolarHBondContact OG1-CB 3.41Å; T1044-T1046 PolarHBondContact OG1-OG1 3.41Å
1045	G	96.3	Very high	97.3	Very high	3 Å²	3	13.7 Å²	13.7	3%	0.031	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	16	-171.6	0	0	0	0	0	114.1	L1042 W1043 P1047	L1042-G1045 PolarHBondContact O-N 3.3Å; L1042-G1045 VanDerWaalsContact O-N 3.1Å; W1043-G1045 VanDerWaalsContact C-N 3.26Å; W1043-G1045 PolarHBondContact O-N 2.84Å; G1045-P1047 WeakPolarHBondContact O-CD 3.46Å
1046	T	98.2	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.			trans	-87.4	118.6	-178	-61.5	0	0	0	0	109.6	G1020 A1023 C1026 I1041 T1044 M1048	G1020-T1046 PolarHBondContact O-OG1 3.5Å; A1023-T1046 HydrophobicContact CB-CG2 4.09Å; C1026-T1046 HydrophobicContact CB-CG2 4.49Å; I1041-T1046 HydrophobicContact CG2-CG2 4.19Å; I1041-T1046 WeakPolarHBondContact CG2-O 3.49Å; I1041-T1046 PolarHBondContact O-N 3.03Å; T1044-T1046 PolarHBondContact O-N 2.94Å; T1044-T1046 WeakPolarHBondContact OG1-CB 3.41Å; T1044-T1046 PolarHBondContact OG1-OG1 3.41Å; T1046-M1048 PolarHBondContact O-N 3.47Å
1047	P	98.5	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.			trans	-58.8	135	178.8	-25.5	35.2	0	0	0	112.1	D1024 V1025 C1026 G1045 L1073 M1098 R1099 V1102	D1024-P1047 WeakPolarHBondContact O-CD 3.38Å; V1025-P1047 CarbonylContact C-O 3.55Å; C1026-P1047 PolarHBondContact N-O 2.95Å; G1045-P1047 WeakPolarHBondContact O-CD 3.46Å; P1047-L1073 HydrophobicContact CB-CD1 3.91Å; P1047-L1073 HydrophobicContact CB-CD2 4.38Å; P1047-M1098 HydrophobicContact CB-CG 3.8Å; P1047-M1098 HydrophobicContact CG-CB 4.27Å; P1047-M1098 HydrophobicContact CG-CG 3.67Å; P1047-R1099 HydrophobicContact CG-CG 3.86Å; P1047-V1102 HydrophobicContact CB-CG2 4.29Å; P1047-V1102 HydrophobicContact CG-CG2 4.14Å
1048	M	98.8	Very high	97.3	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.3	179.7	178.5	177.6	58.6	0	0	110.7	C1026 D1028 I1041 L1042 T1046 A1061 L1065 L1073	C1026-M1048 HydrophobicContact CB-CB 4.15Å; C1026-M1048 HydrophobicContact CB-CG 4.23Å; C1026-M1048 CarbonylContact O-C 3.6Å; C1026-M1048 WeakPolarHBondContact O-CA 3.49Å; D1028-M1048 HydrophobicContact CB-CG 3.87Å; D1028-M1048 HydrophobicContact CB-SD 4.02Å; I1041-M1048 HydrophobicContact CG2-CB 4.31Å; L1042-M1048 HydrophobicContact CD1-CE 3.94Å; L1042-M1048 HydrophobicContact CD2-CB 4.1Å; L1042-M1048 HydrophobicContact CD2-CE 4.44Å; L1042-M1048 HydrophobicContact CG-CE 4.19Å; T1046-M1048 PolarHBondContact O-N 3.47Å; M1048-A1061 HydrophobicContact CE-CB 3.65Å; M1048-A1061 HydrophobicContact SD-CB 4.24Å; M1048-L1065 HydrophobicContact CE-CD1 4.48Å; M1048-L1065 HydrophobicContact CE-CD2 4.47Å; M1048-L1065 HydrophobicContact CE-CG 4.31Å; M1048-L1065 WeakPolarHBondContact O-CD1 3.11Å; M1048-L1073 WeakPolarHBondContact O-CB 3.44Å
1049	V	98.9	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.9	175.4	-174.4	0	0	0	0	109.5	V1025 C1026 L1027 D1028 L1073 Y1081 I1084 A1085 L1088	V1025-V1049 HydrophobicContact CG1-CG2 3.92Å; C1026-V1049 PolarHBondContact O-N 3.17Å; L1027-V1049 HydrophobicContact CD2-CB 4.39Å; D1028-V1049 VanDerWaalsContact CB-O 3.26Å; D1028-V1049 WeakPolarHBondContact CB-O 3.29Å; D1028-V1049 PolarHBondContact N-O 2.93Å; V1049-L1073 WeakPolarHBondContact CA-O 3.37Å; V1049-L1073 HydrophobicContact CG2-CD2 4.45Å; V1049-Y1081 HydrophobicContact CB-CE2 4.49Å; V1049-Y1081 HydrophobicContact CG1-CD2 3.83Å; V1049-Y1081 HydrophobicContact CG1-CE2 4.01Å; V1049-Y1081 HydrophobicContact CG1-CG 4.24Å; V1049-Y1081 WeakPolarHBondContact O-CE2 3.44Å; V1049-I1084 HydrophobicContact CG1-CB 4.24Å; V1049-I1084 HydrophobicContact CG1-CG2 3.97Å; V1049-I1084 HydrophobicContact CG2-CG2 3.85Å; V1049-A1085 HydrophobicContact CG2-CB 4.45Å; V1049-L1088 HydrophobicContact CG2-CD1 3.72Å
1050	T	98.8	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-130.6	168.3	179	-167	0	0	0	0	112.1	D1028 N1033 A1061 T1062 L1065 L1073 V1074 A1075	D1028-T1050 WeakPolarHBondContact OD2-CB 3.42Å; D1028-T1050 PolarHBondContact OD2-OG1 3.15Å; N1033-T1050 PolarHBondContact ND2-OG1 2.94Å; T1050-A1061 HydrophobicContact CG2-CB 4.27Å; T1050-T1062 WeakPolarHBondContact CG2-OG1 3.44Å; T1050-L1065 HydrophobicContact CG2-CD1 3.49Å; T1050-L1065 VanDerWaalsContact CG2-CD1 3.49Å; T1050-L1073 PolarHBondContact N-O 3.03Å; T1050-L1073 VanDerWaalsContact N-O 3.1Å; T1050-V1074 HydrophobicContact CG2-CG1 4.41Å; T1050-V1074 HydrophobicContact CG2-CG2 4.1Å; T1050-A1075 PolarHBondContact O-N 3.45Å
1051	M	98	Very high	97.3	Very high	8 Å²	8	12 Å²	12	4%	0.039	6%	0.062	C	C	.	.			trans	-142	113.7	172.3	179.9	-174.3	66.4	0	0	108.6	P1030 L1053 A1075 R1078 Y1081	P1030-M1051 HydrophobicContact CB-CB 4.34Å; P1030-M1051 HydrophobicContact CB-CE 3.63Å; P1030-M1051 HydrophobicContact CG-CB 4.2Å; P1030-M1051 HydrophobicContact CG-CE 3.83Å; M1051-L1053 HydrophobicContact CE-CD2 3.98Å; M1051-A1075 WeakPolarHBondContact CA-O 3.35Å; M1051-A1075 HydrophobicContact CB-CB 4.28Å; M1051-A1075 WeakPolarHBondContact CG-O 3.43Å; M1051-R1078 HydrophobicContact CE-CG 3.91Å; M1051-R1078 HydrophobicContact SD-CG 3.92Å; M1051-R1078 PolarHBondContact SD-N 3.06Å; M1051-R1078 VanDerWaalsContact SD-N 3.4Å; M1051-Y1081 HydrophobicContact CB-CD2 3.92Å
1052	P	96.6	Very high	97.3	Very high	21 Å²	21	11.9 Å²	11.9	14%	0.136	6%	0.062	C	C	.	.			trans	-70.9	135	-179.1	26.2	-30.5	0	0	0	111.4	S1058 R1059 T1062 V1074 A1075 L1151	P1052-S1058 WeakPolarHBondContact CA-O 3.42Å; P1052-R1059 HydrophobicContact CB-CG 3.96Å; P1052-T1062 HydrophobicContact CB-CG2 4.37Å; P1052-T1062 WeakPolarHBondContact CB-OG1 3.43Å; P1052-T1062 HydrophobicContact CG-CG2 4.2Å; P1052-V1074 HydrophobicContact CG-CG1 4.1Å; P1052-A1075 VanDerWaalsContact CD-O 3.28Å; P1052-A1075 WeakPolarHBondContact CD-O 3.32Å; P1052-L1151 HydrophobicContact CG-CD2 3.91Å
1053	L	94.8	Very high	97.3	Very high	65 Å²	65	11.9 Å²	11.9	34%	0.34	6%	0.062	S	C	.	.			trans	-101	-150.4	163	-54.5	179.6	0	0	0	109.4	P1030 M1051 S1058 R1059	P1030-L1053 HydrophobicContact CB-CD1 4.43Å; P1030-L1053 HydrophobicContact CB-CG 4.43Å; P1030-L1053 WeakPolarHBondContact O-CD1 3.44Å; M1051-L1053 HydrophobicContact CE-CD2 3.98Å; L1053-S1058 PolarHBondContact N-O 3.46Å; L1053-R1059 VanDerWaalsContact O-CD 3.25Å; L1053-R1059 WeakPolarHBondContact O-CD 3.33Å; L1053-R1059 VanDerWaalsContact O-CG 3.28Å; L1053-R1059 WeakPolarHBondContact O-CG 3.03Å; L1053-R1059 PolarHBondContact O-NH1 3.25Å; L1053-R1059 VanDerWaalsContact O-NH1 3.12Å
1054	E	93.1	Very high	97.3	Very high	116 Å²	116	11.7 Å²	11.7	54%	0.542	6%	0.061	S	C	.	.	S	Bend	trans	-97.4	-21.5	-174.7	-56.2	-171.8	133.5	0	0	114.5	H621	H621-E1054 PolarHBondContact CE1-O 3.35Å; H621-E1054 IonicContact NE2-OE2 2.77Å
1055	S	94.5	Very high	97.3	Very high	14 Å²	14	11.7 Å²	11.7	10%	0.098	6%	0.061	C	C	.	.	S	Bend	trans	-80.4	151.4	-179.5	84.2	0	0	0	0	111.8	A1057 S1058 R1059	S1055-A1057 VanDerWaalsContact C-N 3.28Å; S1055-A1057 PolarHBondContact O-N 3.45Å; S1055-S1058 WeakPolarHBondContact CA-OG 3.35Å; S1055-S1058 WeakPolarHBondContact CB-OG 3.17Å; S1055-S1058 PolarHBondContact N-OG 3.09Å; S1055-S1058 PolarHBondContact O-N 3.28Å; S1055-S1058 PolarHBondContact O-OG 3.24Å; S1055-S1058 WeakPolarHBondContact OG-CB 3.48Å; S1055-S1058 PolarHBondContact OG-N 2.84Å; S1055-S1058 VanDerWaalsContact OG-N 3.14Å; S1055-S1058 PolarHBondContact OG-OG 3.03Å; S1055-R1059 WeakPolarHBondContact O-CG 3.23Å; S1055-R1059 PolarHBondContact O-N 2.85Å
1056	L	96.6	Very high	97.3	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.052	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-50.2	-51.4	171.3	-173.9	169.9	0	0	0	110.2	P773 I784 T790 F799 F810 S1058 R1059 V1060	P773-L1056 HydrophobicContact CB-CD2 3.85Å; I784-L1056 HydrophobicContact CD1-CD1 3.95Å; T790-L1056 HydrophobicContact CG2-CD2 3.93Å; T790-L1056 HydrophobicContact CG2-CG 3.67Å; F799-L1056 HydrophobicContact CE1-CB 4.43Å; F799-L1056 HydrophobicContact CE1-CD1 3.84Å; F799-L1056 HydrophobicContact CZ-CB 4.19Å; F799-L1056 HydrophobicContact CZ-CD1 4.19Å; F810-L1056 HydrophobicContact CE1-CD2 4.39Å; F810-L1056 HydrophobicContact CZ-CD2 3.93Å; L1056-S1058 PolarHBondContact O-N 3.44Å; L1056-S1058 VanDerWaalsContact O-N 3.1Å; L1056-R1059 PolarHBondContact O-N 3.38Å; L1056-V1060 HydrophobicContact CD2-CG2 3.93Å; L1056-V1060 WeakPolarHBondContact O-CG2 3.41Å; L1056-V1060 PolarHBondContact O-N 3.31Å
1057	A	96.7	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-57.9	-24.5	179.6	0	0	0	0	0	114.9	M615 P773 N1033 H1035 S1055	M615-A1057 HydrophobicContact CB-CB 4.11Å; M615-A1057 HydrophobicContact CG-CB 4.31Å; M615-A1057 HydrophobicContact SD-CB 3.49Å; M615-A1057 WeakPolarHBondContact SD-CB 3.42Å; P773-A1057 HydrophobicContact CB-CB 4.05Å; P773-A1057 HydrophobicContact CG-CB 4.36Å; N1033-A1057 PolarHBondContact N-O 3.49Å; N1033-A1057 PolarHBondContact OD1-O 3.06Å; H1035-A1057 PolarHBondContact NE2-O 2.86Å; S1055-A1057 VanDerWaalsContact C-N 3.28Å; S1055-A1057 PolarHBondContact O-N 3.45Å
1058	S	97.4	Very high	97.1	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.014	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-96.8	7	177.2	54.1	0	0	0	0	114.2	P1030 N1033 P1052 L1053 S1055 L1056	P1030-S1058 WeakPolarHBondContact O-CB 3.21Å; N1033-S1058 PolarHBondContact ND2-O 3.37Å; N1033-S1058 WeakPolarHBondContact OD1-CA 3.19Å; N1033-S1058 PolarHBondContact OD1-O 3Å; P1052-S1058 WeakPolarHBondContact CA-O 3.42Å; L1053-S1058 PolarHBondContact N-O 3.46Å; S1055-S1058 WeakPolarHBondContact CA-OG 3.35Å; S1055-S1058 WeakPolarHBondContact CB-OG 3.17Å; S1055-S1058 PolarHBondContact N-OG 3.09Å; S1055-S1058 PolarHBondContact O-N 3.28Å; S1055-S1058 PolarHBondContact O-OG 3.24Å; S1055-S1058 WeakPolarHBondContact OG-CB 3.48Å; S1055-S1058 PolarHBondContact OG-N 2.84Å; S1055-S1058 VanDerWaalsContact OG-N 3.14Å; S1055-S1058 PolarHBondContact OG-OG 3.03Å; L1056-S1058 PolarHBondContact O-N 3.44Å; L1056-S1058 VanDerWaalsContact O-N 3.1Å
1059	R	98.1	Very high	96.9	Very high	4 Å²	4	14 Å²	14	2%	0.015	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-6.3	179.4	-62.6	-179.8	71	92.1	-1.1	114.3	V789 T790 N1033 P1052 L1053 S1055 L1056 A1061 T1062 S1063 L1151	V789-R1059 PolarHBondContact O-NE 3.4Å; V789-R1059 PolarHBondContact O-NH2 2.88Å; T790-R1059 WeakPolarHBondContact O-CD 3.49Å; N1033-R1059 WeakPolarHBondContact OD1-CA 3.26Å; N1033-R1059 PolarHBondContact OD1-N 2.64Å; P1052-R1059 HydrophobicContact CB-CG 3.96Å; L1053-R1059 VanDerWaalsContact O-CD 3.25Å; L1053-R1059 WeakPolarHBondContact O-CD 3.33Å; L1053-R1059 VanDerWaalsContact O-CG 3.28Å; L1053-R1059 WeakPolarHBondContact O-CG 3.03Å; L1053-R1059 PolarHBondContact O-NH1 3.25Å; L1053-R1059 VanDerWaalsContact O-NH1 3.12Å; S1055-R1059 WeakPolarHBondContact O-CG 3.23Å; S1055-R1059 PolarHBondContact O-N 2.85Å; L1056-R1059 PolarHBondContact O-N 3.38Å; R1059-A1061 PolarHBondContact O-N 2.9Å; R1059-T1062 WeakPolarHBondContact O-CB 3.25Å; R1059-T1062 PolarHBondContact O-N 3.3Å; R1059-S1063 PolarHBondContact O-N 3.39Å; R1059-L1151 PolarHBondContact NH1-OXT 2.78Å; R1059-L1151 PolarHBondContact NH2-OXT 2.98Å
1060	V	98.4	Very high	96.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.6	-48.3	-179.1	-173.7	0	0	0	0	111.9	F810 F811 N1033 H1035 L1056 T1062 S1063 Q1064	F810-V1060 HydrophobicContact CE1-CG1 4.21Å; F810-V1060 HydrophobicContact CE1-CG2 4.17Å; F810-V1060 HydrophobicContact CZ-CG1 4.48Å; F810-V1060 HydrophobicContact CZ-CG2 4.22Å; F811-V1060 HydrophobicContact CB-CG1 4.38Å; F811-V1060 HydrophobicContact CD2-CG1 3.53Å; F811-V1060 HydrophobicContact CE2-CG1 3.93Å; F811-V1060 HydrophobicContact CG-CG1 3.92Å; N1033-V1060 PolarHBondContact OD1-N 3.4Å; H1035-V1060 HydrophobicContact CB-CG1 4.47Å; L1056-V1060 HydrophobicContact CD2-CG2 3.93Å; L1056-V1060 WeakPolarHBondContact O-CG2 3.41Å; L1056-V1060 PolarHBondContact O-N 3.31Å; V1060-T1062 VanDerWaalsContact C-N 3.26Å; V1060-T1062 PolarHBondContact O-N 3.29Å; V1060-S1063 WeakPolarHBondContact O-CB 3.33Å; V1060-S1063 PolarHBondContact O-N 2.92Å; V1060-S1063 VanDerWaalsContact O-N 3.11Å; V1060-Q1064 HydrophobicContact CG1-CG 4.48Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.38Å; V1060-Q1064 PolarHBondContact O-N 3.32Å
1061	A	98.5	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-32	179.2	0	0	0	0	0	112.2	D1028 N1033 M1048 T1050 R1059 Q1064 L1065	D1028-A1061 WeakPolarHBondContact OD2-CB 3.11Å; N1033-A1061 HydrophobicContact CB-CB 3.61Å; N1033-A1061 PolarHBondContact OD1-N 3.01Å; N1033-A1061 VanDerWaalsContact OD1-N 3.08Å; M1048-A1061 HydrophobicContact CE-CB 3.65Å; M1048-A1061 HydrophobicContact SD-CB 4.24Å; T1050-A1061 HydrophobicContact CG2-CB 4.27Å; R1059-A1061 PolarHBondContact O-N 2.9Å; A1061-Q1064 PolarHBondContact O-N 3.25Å; A1061-L1065 WeakPolarHBondContact O-CD1 3.46Å; A1061-L1065 VanDerWaalsContact O-CG 3.25Å; A1061-L1065 WeakPolarHBondContact O-CG 3.34Å; A1061-L1065 PolarHBondContact O-N 2.83Å
1062	T	98.2	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-45.2	172.6	-59.2	0	0	0	0	110.8	V789 T1050 P1052 R1059 V1060 L1065 Y1066 V1074 L1151	V789-T1062 HydrophobicContact CG1-CG2 3.66Å; T1050-T1062 WeakPolarHBondContact CG2-OG1 3.44Å; P1052-T1062 HydrophobicContact CB-CG2 4.37Å; P1052-T1062 WeakPolarHBondContact CB-OG1 3.43Å; P1052-T1062 HydrophobicContact CG-CG2 4.2Å; R1059-T1062 WeakPolarHBondContact O-CB 3.25Å; R1059-T1062 PolarHBondContact O-N 3.3Å; V1060-T1062 VanDerWaalsContact C-N 3.26Å; V1060-T1062 PolarHBondContact O-N 3.29Å; T1062-L1065 PolarHBondContact O-N 2.99Å; T1062-Y1066 HydrophobicContact CG2-CD2 3.97Å; T1062-Y1066 HydrophobicContact CG2-CE2 4.08Å; T1062-Y1066 WeakPolarHBondContact O-CD2 3.32Å; T1062-Y1066 PolarHBondContact O-N 3.28Å; T1062-V1074 HydrophobicContact CG2-CB 4.44Å; T1062-V1074 HydrophobicContact CG2-CG1 3.54Å; T1062-V1074 HydrophobicContact CG2-CG2 4.03Å; T1062-L1151 HydrophobicContact CG2-CD1 4.25Å; T1062-L1151 HydrophobicContact CG2-CD2 4Å
1063	S	97.5	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.1	-42.9	175.6	177.8	0	0	0	0	112.7	D787 T790 T809 R1059 V1060 L1065 Y1066 A1067	D787-S1063 PolarHBondContact OD1-OG 3.01Å; D787-S1063 PolarHBondContact OD2-OG 3.44Å; T790-S1063 WeakPolarHBondContact OG1-CB 3.43Å; T790-S1063 PolarHBondContact OG1-OG 3.1Å; T809-S1063 WeakPolarHBondContact CB-OG 3.41Å; T809-S1063 PolarHBondContact OG1-OG 3.4Å; R1059-S1063 PolarHBondContact O-N 3.39Å; V1060-S1063 WeakPolarHBondContact O-CB 3.33Å; V1060-S1063 PolarHBondContact O-N 2.92Å; V1060-S1063 VanDerWaalsContact O-N 3.11Å; S1063-L1065 PolarHBondContact O-N 3.42Å; S1063-Y1066 PolarHBondContact O-N 2.94Å; S1063-A1067 PolarHBondContact O-N 3.48Å
1064	Q	98.3	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55.9	-48.1	173.9	-68.3	169.6	-8.3	0	0	111.7	F811 H1035 M1039 L1042 V1060 A1061 Y1066 A1067 L1068 L1111	F811-Q1064 HydrophobicContact CB-CG 4.35Å; F811-Q1064 VanDerWaalsContact CD1-NE2 3.32Å; H1035-Q1064 PolarHBondContact O-NE2 3Å; M1039-Q1064 HydrophobicContact SD-CG 3.76Å; M1039-Q1064 PolarHBondContact SD-NE2 3.42Å; L1042-Q1064 HydrophobicContact CD1-CB 3.96Å; V1060-Q1064 HydrophobicContact CG1-CG 4.48Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.38Å; V1060-Q1064 PolarHBondContact O-N 3.32Å; A1061-Q1064 PolarHBondContact O-N 3.25Å; Q1064-Y1066 PolarHBondContact O-N 2.99Å; Q1064-A1067 PolarHBondContact O-N 3.01Å; Q1064-L1068 VanDerWaalsContact O-CB 3.32Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.48Å; Q1064-L1068 PolarHBondContact O-N 3.36Å; Q1064-L1111 HydrophobicContact CB-CD1 4.25Å; Q1064-L1111 HydrophobicContact CB-CD2 4.35Å; Q1064-L1111 HydrophobicContact CG-CD1 4.27Å
1065	L	98	Very high	96.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.1	-32.7	179.2	-66.3	164.8	0	0	0	113.2	L1042 M1048 T1050 A1061 T1062 S1063 G1069 V1070 L1073 V1074	L1042-L1065 HydrophobicContact CD1-CD2 4.44Å; L1042-L1065 HydrophobicContact CD2-CD2 3.98Å; M1048-L1065 HydrophobicContact CE-CD1 4.48Å; M1048-L1065 HydrophobicContact CE-CD2 4.47Å; M1048-L1065 HydrophobicContact CE-CG 4.31Å; M1048-L1065 WeakPolarHBondContact O-CD1 3.11Å; T1050-L1065 HydrophobicContact CG2-CD1 3.49Å; T1050-L1065 VanDerWaalsContact CG2-CD1 3.49Å; A1061-L1065 WeakPolarHBondContact O-CD1 3.46Å; A1061-L1065 VanDerWaalsContact O-CG 3.25Å; A1061-L1065 WeakPolarHBondContact O-CG 3.34Å; A1061-L1065 PolarHBondContact O-N 2.83Å; T1062-L1065 PolarHBondContact O-N 2.99Å; S1063-L1065 PolarHBondContact O-N 3.42Å; L1065-G1069 PolarHBondContact O-N 3.44Å; L1065-V1070 HydrophobicContact CB-CG2 4.24Å; L1065-V1070 HydrophobicContact CD2-CG2 3.59Å; L1065-V1070 PolarHBondContact O-N 2.69Å; L1065-L1073 HydrophobicContact CD1-CB 4.13Å; L1065-L1073 HydrophobicContact CD2-CB 4.29Å; L1065-L1073 HydrophobicContact CD2-CD1 4.02Å; L1065-V1074 HydrophobicContact CB-CG2 4.06Å; L1065-V1074 HydrophobicContact CD1-CG2 3.82Å
1066	Y	95.6	Very high	97	Very high	46 Å²	46	16.2 Å²	16.2	18%	0.18	8%	0.079	C	C	.	.	H	α-helix	trans	-76.5	-25.3	174.9	-93	-94.8	0	0	0	114.1	V789 K871 T1062 S1063 Q1064 P1071 V1074 P1148 L1151	V789-Y1066 HydrophobicContact CG1-CD2 4.41Å; V789-Y1066 HydrophobicContact CG2-CD1 4.47Å; V789-Y1066 HydrophobicContact CG2-CG 4.22Å; K871-Y1066 PolarHBondContact NZ-O 3.43Å; T1062-Y1066 HydrophobicContact CG2-CD2 3.97Å; T1062-Y1066 HydrophobicContact CG2-CE2 4.08Å; T1062-Y1066 WeakPolarHBondContact O-CD2 3.32Å; T1062-Y1066 PolarHBondContact O-N 3.28Å; S1063-Y1066 PolarHBondContact O-N 2.94Å; Q1064-Y1066 PolarHBondContact O-N 2.99Å; Y1066-P1071 HydrophobicContact CD1-CB 4.18Å; Y1066-P1071 HydrophobicContact CD2-CB 4.14Å; Y1066-P1071 HydrophobicContact CE1-CB 3.72Å; Y1066-P1071 HydrophobicContact CE2-CB 3.68Å; Y1066-P1071 HydrophobicContact CG-CB 4.39Å; Y1066-P1071 VanDerWaalsContact CZ-CB 3.47Å; Y1066-V1074 HydrophobicContact CD2-CG2 4.14Å; Y1066-V1074 HydrophobicContact CE2-CB 4.29Å; Y1066-V1074 HydrophobicContact CE2-CG1 4.43Å; Y1066-V1074 HydrophobicContact CE2-CG2 3.91Å; Y1066-P1148 HydrophobicContact CD1-CB 4.17Å; Y1066-P1148 HydrophobicContact CD1-CG 3.63Å; Y1066-P1148 HydrophobicContact CE1-CB 3.45Å; Y1066-P1148 VanDerWaalsContact CE1-CB 3.45Å; Y1066-P1148 HydrophobicContact CE1-CG 3.44Å; Y1066-P1148 VanDerWaalsContact CE1-CG 3.44Å; Y1066-L1151 HydrophobicContact CD2-CD1 4.21Å; Y1066-L1151 HydrophobicContact CE1-CD1 4.2Å; Y1066-L1151 HydrophobicContact CE2-CD1 3.62Å; Y1066-L1151 HydrophobicContact CE2-CG 4.43Å
1067	A	95.3	Very high	97.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-76.6	-38.4	168.1	0	0	0	0	0	111.5	H808 T809 S1063 Q1064 G1069 L1111	H808-A1067 HydrophobicContact CB-CB 4.43Å; T809-A1067 HydrophobicContact CG2-CB 3.48Å; T809-A1067 VanDerWaalsContact CG2-CB 3.48Å; S1063-A1067 PolarHBondContact O-N 3.48Å; Q1064-A1067 PolarHBondContact O-N 3.01Å; A1067-G1069 VanDerWaalsContact C-N 3.33Å; A1067-G1069 PolarHBondContact O-N 3.11Å; A1067-L1111 HydrophobicContact CB-CB 4.43Å; A1067-L1111 HydrophobicContact CB-CD1 4.17Å
1068	L	96.3	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69	-26.2	175.1	-169	61.8	0	0	0	113.5	L1042 Q1064 V1070 V1102 A1105 R1106 S1109 L1111	L1042-L1068 HydrophobicContact CB-CD2 4.37Å; L1042-L1068 HydrophobicContact CD1-CD2 4.11Å; L1042-L1068 HydrophobicContact CD2-CD2 3.75Å; L1042-L1068 HydrophobicContact CG-CD2 4.28Å; Q1064-L1068 VanDerWaalsContact O-CB 3.32Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.48Å; Q1064-L1068 PolarHBondContact O-N 3.36Å; L1068-V1070 HydrophobicContact CB-CG2 4.07Å; L1068-V1070 HydrophobicContact CD2-CG2 3.76Å; L1068-V1070 HydrophobicContact CG-CG2 3.99Å; L1068-V1102 HydrophobicContact CD2-CG1 4.1Å; L1068-A1105 HydrophobicContact CD1-CB 3.51Å; L1068-A1105 HydrophobicContact CG-CB 3.79Å; L1068-A1105 WeakPolarHBondContact O-CB 3.48Å; L1068-R1106 HydrophobicContact CD1-CB 4.24Å; L1068-S1109 WeakPolarHBondContact CD1-OG 3.43Å; L1068-L1111 HydrophobicContact CB-CD2 3.99Å; L1068-L1111 HydrophobicContact CD1-CD2 4.19Å; L1068-L1111 HydrophobicContact CD2-CD2 4.47Å; L1068-L1111 HydrophobicContact CG-CD2 4.46Å
1069	G	95	Very high	97.1	Very high	6 Å²	6	28.2 Å²	28.2	6%	0.062	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	25.6	179.9	0	0	0	0	0	115.2	L1065 A1067 P1071 K1101	L1065-G1069 PolarHBondContact O-N 3.44Å; A1067-G1069 VanDerWaalsContact C-N 3.33Å; A1067-G1069 PolarHBondContact O-N 3.11Å; G1069-P1071 WeakPolarHBondContact O-CD 3.48Å; G1069-K1101 VanDerWaalsContact O-CE 3.27Å; G1069-K1101 WeakPolarHBondContact O-CE 3.11Å; G1069-K1101 PolarHBondContact O-NZ 2.85Å
1070	V	96.2	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.			trans	-121.9	54.3	177.1	-72.3	0	0	0	0	112.3	L1065 L1068 E1072 L1073 M1098 K1101 V1102	L1065-V1070 HydrophobicContact CB-CG2 4.24Å; L1065-V1070 HydrophobicContact CD2-CG2 3.59Å; L1065-V1070 PolarHBondContact O-N 2.69Å; L1068-V1070 HydrophobicContact CB-CG2 4.07Å; L1068-V1070 HydrophobicContact CD2-CG2 3.76Å; L1068-V1070 HydrophobicContact CG-CG2 3.99Å; V1070-E1072 VanDerWaalsContact C-OE2 3.23Å; V1070-E1072 WeakPolarHBondContact CA-OE2 3.35Å; V1070-E1072 PolarHBondContact O-N 3.04Å; V1070-E1072 VanDerWaalsContact O-N 3.13Å; V1070-L1073 HydrophobicContact CB-CD1 4.14Å; V1070-L1073 HydrophobicContact CB-CG 4.5Å; V1070-L1073 HydrophobicContact CG2-CD1 4.09Å; V1070-L1073 PolarHBondContact O-N 2.82Å; V1070-M1098 HydrophobicContact CG1-SD 4.39Å; V1070-K1101 HydrophobicContact CG1-CD 3.77Å; V1070-K1101 HydrophobicContact CG1-CG 3.9Å; V1070-V1102 HydrophobicContact CG1-CG2 4.11Å; V1070-V1102 HydrophobicContact CG2-CG2 4.47Å
1071	P	95.3	Very high	97.2	Very high	48 Å²	48	31.2 Å²	31.2	31%	0.312	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-62.2	-18.2	-179.1	30.1	-38.3	0	0	0	113.8	Y1066 G1069 L1073 V1074	Y1066-P1071 HydrophobicContact CD1-CB 4.18Å; Y1066-P1071 HydrophobicContact CD2-CB 4.14Å; Y1066-P1071 HydrophobicContact CE1-CB 3.72Å; Y1066-P1071 HydrophobicContact CE2-CB 3.68Å; Y1066-P1071 HydrophobicContact CG-CB 4.39Å; Y1066-P1071 VanDerWaalsContact CZ-CB 3.47Å; G1069-P1071 WeakPolarHBondContact O-CD 3.48Å; P1071-L1073 PolarHBondContact O-N 3.47Å; P1071-V1074 VanDerWaalsContact O-CB 3.31Å; P1071-V1074 WeakPolarHBondContact O-CB 3.48Å; P1071-V1074 PolarHBondContact O-N 3.33Å
1072	E	95.5	Very high	97.2	Very high	75 Å²	75	31.5 Å²	31.5	35%	0.35	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-64.4	-12	175	64.5	-86.3	-161.4	0	0	114.6	V1070 V1074 M1098 K1101	V1070-E1072 VanDerWaalsContact C-OE2 3.23Å; V1070-E1072 WeakPolarHBondContact CA-OE2 3.35Å; V1070-E1072 PolarHBondContact O-N 3.04Å; V1070-E1072 VanDerWaalsContact O-N 3.13Å; E1072-V1074 VanDerWaalsContact C-N 3.33Å; E1072-M1098 HydrophobicContact CG-CE 3.51Å; E1072-M1098 HydrophobicContact CG-SD 4.46Å; E1072-M1098 WeakPolarHBondContact OE1-CE 3.37Å; E1072-K1101 WeakPolarHBondContact OE1-CD 3.44Å; E1072-K1101 IonicContact OE1-NZ 3.34Å; E1072-K1101 PolarHBondContact OE1-NZ 3.46Å; E1072-K1101 IonicContact OE2-NZ 2.66Å; E1072-K1101 PolarHBondContact OE2-NZ 3.26Å
1073	L	98.3	Very high	97.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-89	1.5	172	-62.1	176.5	0	0	0	113.4	P1047 M1048 V1049 T1050 L1065 V1070 P1071 I1084 L1088 M1098 V1102	P1047-L1073 HydrophobicContact CB-CD1 3.91Å; P1047-L1073 HydrophobicContact CB-CD2 4.38Å; M1048-L1073 WeakPolarHBondContact O-CB 3.44Å; V1049-L1073 WeakPolarHBondContact CA-O 3.37Å; V1049-L1073 HydrophobicContact CG2-CD2 4.45Å; T1050-L1073 PolarHBondContact N-O 3.03Å; T1050-L1073 VanDerWaalsContact N-O 3.1Å; L1065-L1073 HydrophobicContact CD1-CB 4.13Å; L1065-L1073 HydrophobicContact CD2-CB 4.29Å; L1065-L1073 HydrophobicContact CD2-CD1 4.02Å; V1070-L1073 HydrophobicContact CB-CD1 4.14Å; V1070-L1073 HydrophobicContact CB-CG 4.5Å; V1070-L1073 HydrophobicContact CG2-CD1 4.09Å; V1070-L1073 PolarHBondContact O-N 2.82Å; P1071-L1073 PolarHBondContact O-N 3.47Å; L1073-I1084 HydrophobicContact CD2-CG2 4.36Å; L1073-L1088 HydrophobicContact CD2-CD1 3.82Å; L1073-M1098 HydrophobicContact CD1-CG 4.39Å; L1073-M1098 HydrophobicContact CD1-SD 3.92Å; L1073-M1098 HydrophobicContact CD2-CE 4.38Å; L1073-M1098 HydrophobicContact CD2-CG 4.05Å; L1073-M1098 HydrophobicContact CD2-SD 3.97Å; L1073-M1098 HydrophobicContact CG-SD 3.99Å; L1073-V1102 HydrophobicContact CD1-CG2 4.26Å
1074	V	98.3	Very high	97.3	Very high	10 Å²	10	35.8 Å²	35.8	6%	0.061	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-101.9	104.8	-178.8	-176.3	0	0	0	0	110.2	T1050 P1052 T1062 L1065 Y1066 P1071 E1072 L1151	T1050-V1074 HydrophobicContact CG2-CG1 4.41Å; T1050-V1074 HydrophobicContact CG2-CG2 4.1Å; P1052-V1074 HydrophobicContact CG-CG1 4.1Å; T1062-V1074 HydrophobicContact CG2-CB 4.44Å; T1062-V1074 HydrophobicContact CG2-CG1 3.54Å; T1062-V1074 HydrophobicContact CG2-CG2 4.03Å; L1065-V1074 HydrophobicContact CB-CG2 4.06Å; L1065-V1074 HydrophobicContact CD1-CG2 3.82Å; Y1066-V1074 HydrophobicContact CD2-CG2 4.14Å; Y1066-V1074 HydrophobicContact CE2-CB 4.29Å; Y1066-V1074 HydrophobicContact CE2-CG1 4.43Å; Y1066-V1074 HydrophobicContact CE2-CG2 3.91Å; P1071-V1074 VanDerWaalsContact O-CB 3.31Å; P1071-V1074 WeakPolarHBondContact O-CB 3.48Å; P1071-V1074 PolarHBondContact O-N 3.33Å; E1072-V1074 VanDerWaalsContact C-N 3.33Å; V1074-L1151 HydrophobicContact CG1-CD2 4.28Å
1075	A	98.2	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.			trans	-77.8	142.1	175	0	0	0	0	0	112.3	T1050 M1051 P1052 E1080 Y1081 I1084	T1050-A1075 PolarHBondContact O-N 3.45Å; M1051-A1075 WeakPolarHBondContact CA-O 3.35Å; M1051-A1075 HydrophobicContact CB-CB 4.28Å; M1051-A1075 WeakPolarHBondContact CG-O 3.43Å; P1052-A1075 VanDerWaalsContact CD-O 3.28Å; P1052-A1075 WeakPolarHBondContact CD-O 3.32Å; A1075-E1080 HydrophobicContact CB-CB 4.11Å; A1075-E1080 HydrophobicContact CB-CG 4.1Å; A1075-Y1081 VanDerWaalsContact CB-CA 3.41Å; A1075-Y1081 HydrophobicContact CB-CD2 4.43Å; A1075-Y1081 VanDerWaalsContact CB-N 3.26Å; A1075-I1084 HydrophobicContact CB-CD1 4.08Å
1076	K	96.1	Very high	97.3	Very high	137 Å²	137	37 Å²	37	60%	0.596	19%	0.186	S	C	*	.	S	Bend	trans	-92.2	-16.7	173.7	-53.8	171.2	-176.3	172.2	0	112.4	E1080	K1076-E1080 WeakPolarHBondContact CA-OE2 3.49Å; K1076-E1080 VanDerWaalsContact CB-OE2 3.22Å; K1076-E1080 WeakPolarHBondContact CB-OE2 3.22Å; K1076-E1080 PolarHBondContact N-OE2 3.3Å
1077	T	97.2	Very high	97.5	Very high	72 Å²	72	40.9 Å²	40.9	44%	0.442	20%	0.2	S	C	.	.	S	Bend	trans	-141	159.4	-179.7	70.1	0	0	0	0	112.1	Q1079 E1080 Y1081	T1077-Q1079 PolarHBondContact O-N 3.23Å; T1077-E1080 PolarHBondContact O-N 3.26Å; T1077-E1080 VanDerWaalsContact O-N 3.12Å; T1077-E1080 WeakPolarHBondContact OG1-CB 3.46Å; T1077-E1080 PolarHBondContact OG1-N 3.3Å; T1077-E1080 VanDerWaalsContact OG1-N 3.11Å; T1077-Y1081 PolarHBondContact O-N 3.03Å
1078	R	97.8	Very high	97.6	Very high	98 Å²	98	40.8 Å²	40.8	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-35.4	174.7	-65.9	-170.4	-177.4	-85.5	4.6	112.9	S961 M965 M1051 V1082	S961-R1078 PolarHBondContact O-NH1 3.2Å; S961-R1078 PolarHBondContact OG-NE 3.47Å; S961-R1078 PolarHBondContact OG-NH1 2.89Å; S961-R1078 VanDerWaalsContact OG-NH1 3.11Å; S961-R1078 PolarHBondContact OG-NH2 2.98Å; M965-R1078 HydrophobicContact CG-CB 4.38Å; M965-R1078 HydrophobicContact SD-CB 3.51Å; M965-R1078 VanDerWaalsContact SD-CB 3.51Å; M965-R1078 HydrophobicContact SD-CG 3.58Å; M965-R1078 VanDerWaalsContact SD-CG 3.58Å; M1051-R1078 HydrophobicContact CE-CG 3.91Å; M1051-R1078 HydrophobicContact SD-CG 3.92Å; M1051-R1078 PolarHBondContact SD-N 3.06Å; M1051-R1078 VanDerWaalsContact SD-N 3.4Å; R1078-V1082 WeakPolarHBondContact O-CG2 3.38Å; R1078-V1082 PolarHBondContact O-N 2.88Å
1079	Q	98.2	Very high	97.7	Very high	94 Å²	94	41.3 Å²	41.3	44%	0.439	21%	0.205	S	C	.	.	H	α-helix	trans	-72.4	-38.3	177.8	-178.1	52.1	59.6	0	0	111.6	T1077 V1082 S1083	T1077-Q1079 PolarHBondContact O-N 3.23Å; Q1079-V1082 PolarHBondContact O-N 2.85Å; Q1079-S1083 PolarHBondContact NE2-OG 3.4Å; Q1079-S1083 WeakPolarHBondContact O-CB 3.3Å; Q1079-S1083 PolarHBondContact O-N 3.01Å; Q1079-S1083 PolarHBondContact O-OG 3.32Å; Q1079-S1083 VanDerWaalsContact O-OG 3.1Å
1080	E	98.3	Very high	97.8	Very high	67 Å²	67	45.2 Å²	45.2	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-38.8	174.7	-173.3	173.5	-155.5	0	0	111.9	A1075 K1076 T1077 V1082 S1083 I1084	A1075-E1080 HydrophobicContact CB-CB 4.11Å; A1075-E1080 HydrophobicContact CB-CG 4.1Å; K1076-E1080 WeakPolarHBondContact CA-OE2 3.49Å; K1076-E1080 VanDerWaalsContact CB-OE2 3.22Å; K1076-E1080 WeakPolarHBondContact CB-OE2 3.22Å; K1076-E1080 PolarHBondContact N-OE2 3.3Å; T1077-E1080 PolarHBondContact O-N 3.26Å; T1077-E1080 VanDerWaalsContact O-N 3.12Å; T1077-E1080 WeakPolarHBondContact OG1-CB 3.46Å; T1077-E1080 PolarHBondContact OG1-N 3.3Å; T1077-E1080 VanDerWaalsContact OG1-N 3.11Å; E1080-V1082 VanDerWaalsContact C-N 3.35Å; E1080-V1082 PolarHBondContact O-N 3.03Å; E1080-S1083 PolarHBondContact O-N 3.35Å; E1080-S1083 VanDerWaalsContact O-N 3.14Å; E1080-I1084 HydrophobicContact CG-CD1 3.96Å; E1080-I1084 HydrophobicContact CG-CG1 4.42Å; E1080-I1084 WeakPolarHBondContact O-CG1 3.4Å; E1080-I1084 PolarHBondContact O-N 3.48Å
1081	Y	98.7	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-48.4	173.7	-179	-79.8	0	0	0	111.2	M965 W966 I969 L1027 D1028 P1030 V1049 M1051 A1075 T1077 A1085	M965-Y1081 HydrophobicContact CB-CD1 4.36Å; M965-Y1081 HydrophobicContact CB-CE1 4.49Å; M965-Y1081 HydrophobicContact CE-CD1 3.68Å; M965-Y1081 HydrophobicContact CE-CD2 4.41Å; M965-Y1081 HydrophobicContact CE-CE1 3.8Å; M965-Y1081 HydrophobicContact CE-CE2 4.47Å; M965-Y1081 HydrophobicContact CE-CG 4.01Å; M965-Y1081 HydrophobicContact SD-CD1 4.03Å; M965-Y1081 HydrophobicContact SD-CG 4.3Å; W966-Y1081 AromaticContact CD1-CE1 3.95Å; W966-Y1081 AromaticContact NE1-CE1 3.88Å; W966-Y1081 AromaticContact NE1-CZ 3.84Å; W966-Y1081 PolarHBondContact NE1-OH 3.28Å; I969-Y1081 HydrophobicContact CD1-CD1 4.04Å; I969-Y1081 HydrophobicContact CD1-CE1 3.8Å; L1027-Y1081 WeakPolarHBondContact CB-OH 3.28Å; D1028-Y1081 PolarHBondContact N-OH 2.67Å; D1028-Y1081 PolarHBondContact O-OH 2.98Å; P1030-Y1081 HydrophobicContact CG-CE2 4.41Å; V1049-Y1081 HydrophobicContact CB-CE2 4.49Å; V1049-Y1081 HydrophobicContact CG1-CD2 3.83Å; V1049-Y1081 HydrophobicContact CG1-CE2 4.01Å; V1049-Y1081 HydrophobicContact CG1-CG 4.24Å; V1049-Y1081 WeakPolarHBondContact O-CE2 3.44Å; M1051-Y1081 HydrophobicContact CB-CD2 3.92Å; A1075-Y1081 VanDerWaalsContact CB-CA 3.41Å; A1075-Y1081 HydrophobicContact CB-CD2 4.43Å; A1075-Y1081 VanDerWaalsContact CB-N 3.26Å; T1077-Y1081 PolarHBondContact O-N 3.03Å; Y1081-A1085 WeakPolarHBondContact O-CB 3.49Å; Y1081-A1085 PolarHBondContact O-N 2.92Å; Y1081-A1085 VanDerWaalsContact O-N 3.13Å
1082	V	98.8	Very high	97.7	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-45.8	174.2	172.5	0	0	0	0	110.7	M965 K968 I969 R1078 Q1079 E1080 I1084 A1085 V1086	M965-V1082 HydrophobicContact CB-CG2 3.95Å; M965-V1082 HydrophobicContact CG-CG2 4.23Å; K968-V1082 HydrophobicContact CD-CG1 4.1Å; K968-V1082 HydrophobicContact CD-CG2 4.38Å; K968-V1082 HydrophobicContact CG-CG1 4.03Å; I969-V1082 HydrophobicContact CD1-CG2 4.43Å; I969-V1082 HydrophobicContact CG1-CB 4.2Å; I969-V1082 HydrophobicContact CG1-CG1 4.01Å; I969-V1082 HydrophobicContact CG1-CG2 4.12Å; R1078-V1082 WeakPolarHBondContact O-CG2 3.38Å; R1078-V1082 PolarHBondContact O-N 2.88Å; Q1079-V1082 PolarHBondContact O-N 2.85Å; E1080-V1082 VanDerWaalsContact C-N 3.35Å; E1080-V1082 PolarHBondContact O-N 3.03Å; V1082-I1084 PolarHBondContact O-N 3.04Å; V1082-A1085 PolarHBondContact O-N 3.33Å; V1082-V1086 HydrophobicContact CG1-CG2 4.03Å; V1082-V1086 VanDerWaalsContact O-CB 3.3Å; V1082-V1086 WeakPolarHBondContact O-CB 3.41Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.46Å; V1082-V1086 PolarHBondContact O-N 3.4Å
1083	S	98.6	Very high	97.6	Very high	63 Å²	63	50.6 Å²	50.6	44%	0.441	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-39.8	-179	-70.2	0	0	0	0	113.7	Q1079 E1080 R1087	Q1079-S1083 PolarHBondContact NE2-OG 3.4Å; Q1079-S1083 WeakPolarHBondContact O-CB 3.3Å; Q1079-S1083 PolarHBondContact O-N 3.01Å; Q1079-S1083 PolarHBondContact O-OG 3.32Å; Q1079-S1083 VanDerWaalsContact O-OG 3.1Å; E1080-S1083 PolarHBondContact O-N 3.35Å; E1080-S1083 VanDerWaalsContact O-N 3.14Å; S1083-R1087 WeakPolarHBondContact O-CB 3.42Å; S1083-R1087 PolarHBondContact O-N 2.93Å
1084	I	98.7	Very high	97.5	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.138	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-50.7	175.6	-68.3	166.3	0	0	0	110	V1049 L1073 A1075 E1080 V1082 V1086 R1087 L1088	V1049-I1084 HydrophobicContact CG1-CB 4.24Å; V1049-I1084 HydrophobicContact CG1-CG2 3.97Å; V1049-I1084 HydrophobicContact CG2-CG2 3.85Å; L1073-I1084 HydrophobicContact CD2-CG2 4.36Å; A1075-I1084 HydrophobicContact CB-CD1 4.08Å; E1080-I1084 HydrophobicContact CG-CD1 3.96Å; E1080-I1084 HydrophobicContact CG-CG1 4.42Å; E1080-I1084 WeakPolarHBondContact O-CG1 3.4Å; E1080-I1084 PolarHBondContact O-N 3.48Å; V1082-I1084 PolarHBondContact O-N 3.04Å; I1084-V1086 PolarHBondContact O-N 3.43Å; I1084-R1087 PolarHBondContact O-N 3.44Å; I1084-L1088 HydrophobicContact CG2-CD1 4.05Å; I1084-L1088 WeakPolarHBondContact O-CG 3.39Å; I1084-L1088 PolarHBondContact O-N 3.47Å
1085	A	98.8	Very high	97.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-40.2	-179.9	0	0	0	0	0	112.9	F949 I969 L1027 V1049 Y1081 V1082 L1088 G1089	F949-A1085 HydrophobicContact CE1-CB 4.29Å; F949-A1085 WeakPolarHBondContact CZ-O 3.45Å; I969-A1085 HydrophobicContact CD1-CB 3.46Å; I969-A1085 VanDerWaalsContact CD1-CB 3.46Å; I969-A1085 HydrophobicContact CG1-CB 3.83Å; I969-A1085 HydrophobicContact CG2-CB 4.02Å; L1027-A1085 HydrophobicContact CD2-CB 3.64Å; V1049-A1085 HydrophobicContact CG2-CB 4.45Å; Y1081-A1085 WeakPolarHBondContact O-CB 3.49Å; Y1081-A1085 PolarHBondContact O-N 2.92Å; Y1081-A1085 VanDerWaalsContact O-N 3.13Å; V1082-A1085 PolarHBondContact O-N 3.33Å; A1085-L1088 PolarHBondContact O-N 2.94Å; A1085-G1089 PolarHBondContact O-N 2.95Å
1086	V	98.8	Very high	97.2	Very high	26 Å²	26	54 Å²	54	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-42.1	174.6	168.9	0	0	0	0	110.9	I969 N972 V973 V1082 I1084 G1089 T1090	I969-V1086 HydrophobicContact CB-CG2 4.44Å; I969-V1086 HydrophobicContact CG1-CG2 4.33Å; I969-V1086 HydrophobicContact CG2-CG2 4.37Å; N972-V1086 HydrophobicContact CB-CB 4.44Å; N972-V1086 HydrophobicContact CB-CG1 3.93Å; N972-V1086 HydrophobicContact CB-CG2 3.55Å; V973-V1086 HydrophobicContact CG2-CB 4.35Å; V973-V1086 HydrophobicContact CG2-CG1 4.29Å; V973-V1086 HydrophobicContact CG2-CG2 4.21Å; V1082-V1086 HydrophobicContact CG1-CG2 4.03Å; V1082-V1086 VanDerWaalsContact O-CB 3.3Å; V1082-V1086 WeakPolarHBondContact O-CB 3.41Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.46Å; V1082-V1086 PolarHBondContact O-N 3.4Å; I1084-V1086 PolarHBondContact O-N 3.43Å; V1086-G1089 CarbonylContact O-C 3.55Å; V1086-G1089 WeakPolarHBondContact O-CA 3.26Å; V1086-G1089 PolarHBondContact O-N 3.31Å; V1086-G1089 VanDerWaalsContact O-N 3.11Å; V1086-T1090 HydrophobicContact CG1-CG2 4.39Å; V1086-T1090 WeakPolarHBondContact O-CG2 3.36Å; V1086-T1090 PolarHBondContact O-N 2.91Å; V1086-T1090 PolarHBondContact O-OG1 2.78Å
1087	R	98.6	Very high	97.1	Very high	127 Å²	127	50.9 Å²	50.9	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-49.5	175.5	-170.8	-173.8	176.9	-171.4	-0.7	111.1	S1083 I1084 G1089 T1090 D1091 H1094	S1083-R1087 WeakPolarHBondContact O-CB 3.42Å; S1083-R1087 PolarHBondContact O-N 2.93Å; I1084-R1087 PolarHBondContact O-N 3.44Å; R1087-G1089 PolarHBondContact O-N 3.3Å; R1087-T1090 PolarHBondContact O-N 3.01Å; R1087-T1090 VanDerWaalsContact O-N 3.08Å; R1087-D1091 HydrophobicContact CG-CB 3.99Å; R1087-D1091 IonicContact CZ-OD2 3.06Å; R1087-D1091 IonicContact NE-OD2 3.42Å; R1087-D1091 PolarHBondContact NE-OD2 3.29Å; R1087-D1091 VanDerWaalsContact NE-OD2 3.14Å; R1087-D1091 IonicContact NH2-OD2 3.61Å; R1087-D1091 PolarHBondContact NH2-OD2 3.48Å; R1087-D1091 VanDerWaalsContact O-CB 3.28Å; R1087-D1091 WeakPolarHBondContact O-CB 3.49Å; R1087-D1091 PolarHBondContact O-N 2.76Å; R1087-H1094 VanDerWaalsContact CD-CD2 3.48Å; R1087-H1094 WeakPolarHBondContact CD-CD2 3.41Å; R1087-H1094 PolarHBondContact NE-CD2 3.41Å
1088	L	98.2	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-25	175.8	-66.8	166.7	0	0	0	112.9	V1025 V1049 L1073 I1084 A1085 L1095 M1098	V1025-L1088 HydrophobicContact CG1-CD1 4.08Å; V1025-L1088 HydrophobicContact CG2-CB 3.74Å; V1025-L1088 HydrophobicContact CG2-CD1 4.24Å; V1049-L1088 HydrophobicContact CG2-CD1 3.72Å; L1073-L1088 HydrophobicContact CD2-CD1 3.82Å; I1084-L1088 HydrophobicContact CG2-CD1 4.05Å; I1084-L1088 WeakPolarHBondContact O-CG 3.39Å; I1084-L1088 PolarHBondContact O-N 3.47Å; A1085-L1088 PolarHBondContact O-N 2.94Å; L1088-L1095 HydrophobicContact CB-CD1 4.4Å; L1088-L1095 HydrophobicContact CD2-CD1 4.37Å; L1088-M1098 HydrophobicContact CD2-CB 3.92Å; L1088-M1098 HydrophobicContact CD2-CG 3.96Å
1089	G	97.9	Very high	97	Very high	11 Å²	11	43.8 Å²	43.8	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-83.7	-16.5	174.6	0	0	0	0	0	115.7	I947 V973 A1085 V1086 R1087	I947-G1089 WeakPolarHBondContact CG1-O 3.5Å; V973-G1089 VanDerWaalsContact CG1-O 3.32Å; V973-G1089 WeakPolarHBondContact CG1-O 3.4Å; A1085-G1089 PolarHBondContact O-N 2.95Å; V1086-G1089 CarbonylContact O-C 3.55Å; V1086-G1089 WeakPolarHBondContact O-CA 3.26Å; V1086-G1089 PolarHBondContact O-N 3.31Å; V1086-G1089 VanDerWaalsContact O-N 3.11Å; R1087-G1089 PolarHBondContact O-N 3.3Å
1090	T	97.7	Very high	96.8	Very high	88 Å²	88	39.4 Å²	39.4	54%	0.54	22%	0.222	S	C	.	.	H	α-helix	trans	-120.8	-27.6	-174.5	57.4	0	0	0	0	114.7	V973 V1086 R1087	V973-T1090 HydrophobicContact CG2-CG2 4.15Å; V1086-T1090 HydrophobicContact CG1-CG2 4.39Å; V1086-T1090 WeakPolarHBondContact O-CG2 3.36Å; V1086-T1090 PolarHBondContact O-N 2.91Å; V1086-T1090 PolarHBondContact O-OG1 2.78Å; R1087-T1090 PolarHBondContact O-N 3.01Å; R1087-T1090 VanDerWaalsContact O-N 3.08Å
1091	D	97	Very high	96.7	Very high	49 Å²	49	37.7 Å²	37.7	26%	0.262	21%	0.214	S	C	.	.			trans	-98.9	92	-179.6	-176.7	-13.4	0	0	0	108.5	R1087 D1093 H1094 L1095	R1087-D1091 HydrophobicContact CG-CB 3.99Å; R1087-D1091 IonicContact CZ-OD2 3.06Å; R1087-D1091 IonicContact NE-OD2 3.42Å; R1087-D1091 PolarHBondContact NE-OD2 3.29Å; R1087-D1091 VanDerWaalsContact NE-OD2 3.14Å; R1087-D1091 IonicContact NH2-OD2 3.61Å; R1087-D1091 PolarHBondContact NH2-OD2 3.48Å; R1087-D1091 VanDerWaalsContact O-CB 3.28Å; R1087-D1091 WeakPolarHBondContact O-CB 3.49Å; R1087-D1091 PolarHBondContact O-N 2.76Å; D1091-D1093 VanDerWaalsContact C-N 3.33Å; D1091-D1093 PolarHBondContact O-N 3.44Å; D1091-H1094 HydrophobicContact CB-CB 3.85Å; D1091-H1094 PolarHBondContact O-N 3Å; D1091-H1094 VanDerWaalsContact OD1-CB 3.3Å; D1091-H1094 WeakPolarHBondContact OD1-CB 3.45Å; D1091-H1094 PolarHBondContact OD1-N 2.95Å; D1091-H1094 WeakPolarHBondContact OD2-CB 3.35Å; D1091-H1094 IonicContact OD2-CG 3.11Å; D1091-L1095 PolarHBondContact O-N 3.32Å
1092	A	93.3	Very high	96.6	Very high	63 Å²	63	37.7 Å²	37.7	52%	0.521	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-37	-173.6	0	0	0	0	0	112.7	L1095 A1096	A1092-L1095 PolarHBondContact O-N 3.04Å; A1092-A1096 WeakPolarHBondContact O-CB 3.48Å; A1092-A1096 PolarHBondContact O-N 3.2Å
1093	D	93.2	Very high	96.5	Very high	124 Å²	124	38.2 Å²	38.2	66%	0.663	22%	0.215	S	C	*	.	H	α-helix	trans	-68.5	-42	177	-63.4	-28	0	0	0	110.4	D1091 A1096 N1097	D1091-D1093 VanDerWaalsContact C-N 3.33Å; D1091-D1093 PolarHBondContact O-N 3.44Å; D1093-A1096 PolarHBondContact O-N 3Å; D1093-N1097 WeakPolarHBondContact O-CB 3.47Å; D1093-N1097 PolarHBondContact O-N 2.95Å; D1093-N1097 PolarHBondContact O-ND2 3.31Å
1094	H	95.8	Very high	96.3	Very high	40 Å²	40	37.4 Å²	37.4	19%	0.185	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-39.8	174.2	-176.3	56.1	0	0	0	112.5	R1087 D1091 M1098	R1087-H1094 VanDerWaalsContact CD-CD2 3.48Å; R1087-H1094 WeakPolarHBondContact CD-CD2 3.41Å; R1087-H1094 PolarHBondContact NE-CD2 3.41Å; D1091-H1094 HydrophobicContact CB-CB 3.85Å; D1091-H1094 PolarHBondContact O-N 3Å; D1091-H1094 VanDerWaalsContact OD1-CB 3.3Å; D1091-H1094 WeakPolarHBondContact OD1-CB 3.45Å; D1091-H1094 PolarHBondContact OD1-N 2.95Å; D1091-H1094 WeakPolarHBondContact OD2-CB 3.35Å; D1091-H1094 IonicContact OD2-CG 3.11Å; H1094-M1098 VanDerWaalsContact O-CB 3.25Å; H1094-M1098 WeakPolarHBondContact O-CB 3.41Å; H1094-M1098 PolarHBondContact O-N 3.5Å
1095	L	96.2	Very high	96.2	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-47.3	174	177.7	64.1	0	0	0	111.7	I947 D1024 V1025 L1088 D1091 A1092 M1098 R1099	I947-L1095 HydrophobicContact CD1-CD2 3.77Å; D1024-L1095 HydrophobicContact CB-CD1 4.47Å; D1024-L1095 HydrophobicContact CB-CD2 4.11Å; V1025-L1095 HydrophobicContact CG2-CD1 3.7Å; L1088-L1095 HydrophobicContact CB-CD1 4.4Å; L1088-L1095 HydrophobicContact CD2-CD1 4.37Å; D1091-L1095 PolarHBondContact O-N 3.32Å; A1092-L1095 PolarHBondContact O-N 3.04Å; L1095-M1098 PolarHBondContact O-N 3.42Å; L1095-R1099 HydrophobicContact CD1-CG 4.12Å; L1095-R1099 HydrophobicContact CG-CG 4.46Å; L1095-R1099 WeakPolarHBondContact O-CB 3.35Å; L1095-R1099 VanDerWaalsContact O-CG 3.28Å; L1095-R1099 WeakPolarHBondContact O-CG 3.47Å; L1095-R1099 PolarHBondContact O-N 3.27Å
1096	A	93.8	Very high	96	Very high	37 Å²	37	36.4 Å²	36.4	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-47.9	178.9	0	0	0	0	0	111.6	A1092 D1093 M1098 R1099 A1100	A1092-A1096 WeakPolarHBondContact O-CB 3.48Å; A1092-A1096 PolarHBondContact O-N 3.2Å; D1093-A1096 PolarHBondContact O-N 3Å; A1096-M1098 VanDerWaalsContact C-N 3.34Å; A1096-M1098 PolarHBondContact O-N 2.96Å; A1096-R1099 PolarHBondContact O-N 3.24Å; A1096-A1100 WeakPolarHBondContact O-CB 3.44Å; A1096-A1100 PolarHBondContact O-N 3.22Å
1097	N	93.9	Very high	95.8	Very high	72 Å²	72	39 Å²	39	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-39.9	176.2	-75.8	-59.6	0	0	0	112.5	D1093 A1100 K1101	D1093-N1097 WeakPolarHBondContact O-CB 3.47Å; D1093-N1097 PolarHBondContact O-N 2.95Å; D1093-N1097 PolarHBondContact O-ND2 3.31Å; N1097-A1100 PolarHBondContact O-N 3.46Å; N1097-K1101 WeakPolarHBondContact O-CB 3.45Å; N1097-K1101 PolarHBondContact O-N 2.92Å
1098	M	96.3	Very high	95.6	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.044	20%	0.203	C	C	.	.	H	α-helix	trans	-68.2	-42.5	177.9	-171.9	54.7	58.9	0	0	112.1	P1047 V1070 E1072 L1073 L1088 H1094 L1095 A1096 K1101 V1102	P1047-M1098 HydrophobicContact CB-CG 3.8Å; P1047-M1098 HydrophobicContact CG-CB 4.27Å; P1047-M1098 HydrophobicContact CG-CG 3.67Å; V1070-M1098 HydrophobicContact CG1-SD 4.39Å; E1072-M1098 HydrophobicContact CG-CE 3.51Å; E1072-M1098 HydrophobicContact CG-SD 4.46Å; E1072-M1098 WeakPolarHBondContact OE1-CE 3.37Å; L1073-M1098 HydrophobicContact CD1-CG 4.39Å; L1073-M1098 HydrophobicContact CD1-SD 3.92Å; L1073-M1098 HydrophobicContact CD2-CE 4.38Å; L1073-M1098 HydrophobicContact CD2-CG 4.05Å; L1073-M1098 HydrophobicContact CD2-SD 3.97Å; L1073-M1098 HydrophobicContact CG-SD 3.99Å; L1088-M1098 HydrophobicContact CD2-CB 3.92Å; L1088-M1098 HydrophobicContact CD2-CG 3.96Å; H1094-M1098 VanDerWaalsContact O-CB 3.25Å; H1094-M1098 WeakPolarHBondContact O-CB 3.41Å; H1094-M1098 PolarHBondContact O-N 3.5Å; L1095-M1098 PolarHBondContact O-N 3.42Å; A1096-M1098 VanDerWaalsContact C-N 3.34Å; A1096-M1098 PolarHBondContact O-N 2.96Å; M1098-K1101 PolarHBondContact O-N 3.26Å; M1098-V1102 WeakPolarHBondContact O-CG2 3.3Å; M1098-V1102 PolarHBondContact O-N 3.41Å; M1098-V1102 HydrophobicContact SD-CG2 4.31Å
1099	R	95.9	Very high	95.4	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.045	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-44.4	173.9	-72.7	172.8	67.5	74.1	0.3	110.9	D837 A1023 D1024 P1047 L1095 A1096 K1101 V1102 W1103	D837-R1099 VanDerWaalsContact CG-NH2 3.31Å; D837-R1099 IonicContact OD1-CZ 3.39Å; D837-R1099 IonicContact OD1-NE 2.7Å; D837-R1099 PolarHBondContact OD1-NE 3.11Å; D837-R1099 IonicContact OD1-NH2 2.84Å; D837-R1099 PolarHBondContact OD1-NH2 3.23Å; D837-R1099 IonicContact OD2-CZ 2.73Å; D837-R1099 IonicContact OD2-NE 3.65Å; D837-R1099 PolarHBondContact OD2-NE 3.04Å; D837-R1099 IonicContact OD2-NH2 3.92Å; D837-R1099 PolarHBondContact OD2-NH2 3.38Å; A1023-R1099 PolarHBondContact O-NH1 3.29Å; D1024-R1099 PolarHBondContact O-NH1 3.3Å; P1047-R1099 HydrophobicContact CG-CG 3.86Å; L1095-R1099 HydrophobicContact CD1-CG 4.12Å; L1095-R1099 HydrophobicContact CG-CG 4.46Å; L1095-R1099 WeakPolarHBondContact O-CB 3.35Å; L1095-R1099 VanDerWaalsContact O-CG 3.28Å; L1095-R1099 WeakPolarHBondContact O-CG 3.47Å; L1095-R1099 PolarHBondContact O-N 3.27Å; A1096-R1099 PolarHBondContact O-N 3.24Å; R1099-K1101 PolarHBondContact O-N 3.05Å; R1099-V1102 PolarHBondContact O-N 2.83Å; R1099-W1103 WeakPolarHBondContact O-CB 3.32Å; R1099-W1103 PolarHBondContact O-N 3.34Å
1100	A	94.8	Very high	95.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-44.4	175.2	0	0	0	0	0	112.3	L861 T863 M878 A1096 N1097 W1103 M1104	L861-A1100 HydrophobicContact CB-CB 4.12Å; L861-A1100 HydrophobicContact CD1-CB 4.14Å; T863-A1100 HydrophobicContact CG2-CB 4.47Å; M878-A1100 HydrophobicContact CB-CB 4.31Å; M878-A1100 VanDerWaalsContact SD-CA 3.54Å; M878-A1100 HydrophobicContact SD-CB 3.68Å; A1096-A1100 WeakPolarHBondContact O-CB 3.44Å; A1096-A1100 PolarHBondContact O-N 3.22Å; N1097-A1100 PolarHBondContact O-N 3.46Å; A1100-W1103 PolarHBondContact O-N 2.99Å; A1100-M1104 WeakPolarHBondContact O-CB 3.23Å; A1100-M1104 WeakPolarHBondContact O-CG 3.48Å; A1100-M1104 PolarHBondContact O-N 3.01Å
1101	K	96	Very high	95.2	Very high	31 Å²	31	30.5 Å²	30.5	14%	0.135	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-49.8	176.6	-168.4	175.7	172.9	-167.9	0	111.9	T863 E864 V865 G1069 V1070 E1072 N1097 M1098 R1099 M1104 A1105	T863-K1101 WeakPolarHBondContact OG1-CB 3.36Å; E864-K1101 VanDerWaalsContact O-CE 3.24Å; E864-K1101 WeakPolarHBondContact O-CE 3.48Å; V865-K1101 HydrophobicContact CG1-CG 4.1Å; G1069-K1101 VanDerWaalsContact O-CE 3.27Å; G1069-K1101 WeakPolarHBondContact O-CE 3.11Å; G1069-K1101 PolarHBondContact O-NZ 2.85Å; V1070-K1101 HydrophobicContact CG1-CD 3.77Å; V1070-K1101 HydrophobicContact CG1-CG 3.9Å; E1072-K1101 WeakPolarHBondContact OE1-CD 3.44Å; E1072-K1101 IonicContact OE1-NZ 3.34Å; E1072-K1101 PolarHBondContact OE1-NZ 3.46Å; E1072-K1101 IonicContact OE2-NZ 2.66Å; E1072-K1101 PolarHBondContact OE2-NZ 3.26Å; N1097-K1101 WeakPolarHBondContact O-CB 3.45Å; N1097-K1101 PolarHBondContact O-N 2.92Å; M1098-K1101 PolarHBondContact O-N 3.26Å; R1099-K1101 PolarHBondContact O-N 3.05Å; K1101-M1104 PolarHBondContact O-N 3.03Å; K1101-A1105 WeakPolarHBondContact O-CB 3.39Å; K1101-A1105 PolarHBondContact O-N 3.33Å
1102	V	97	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-40.9	179	177.4	0	0	0	0	111.4	L1042 P1047 L1068 V1070 L1073 M1098 R1099 M1104 A1105 R1106	L1042-V1102 HydrophobicContact CD2-CG1 4.15Å; P1047-V1102 HydrophobicContact CB-CG2 4.29Å; P1047-V1102 HydrophobicContact CG-CG2 4.14Å; L1068-V1102 HydrophobicContact CD2-CG1 4.1Å; V1070-V1102 HydrophobicContact CG1-CG2 4.11Å; V1070-V1102 HydrophobicContact CG2-CG2 4.47Å; L1073-V1102 HydrophobicContact CD1-CG2 4.26Å; M1098-V1102 WeakPolarHBondContact O-CG2 3.3Å; M1098-V1102 PolarHBondContact O-N 3.41Å; M1098-V1102 HydrophobicContact SD-CG2 4.31Å; R1099-V1102 PolarHBondContact O-N 2.83Å; V1102-M1104 PolarHBondContact O-N 3.35Å; V1102-A1105 PolarHBondContact O-N 3.17Å; V1102-R1106 PolarHBondContact O-N 3.44Å
1103	W	95.9	Very high	95.4	Very high	18 Å²	18	28.8 Å²	28.8	7%	0.068	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-41.5	178.2	-179.4	-90.1	0	0	0	113.1	K825 M878 R1099 A1100 R1106	K825-W1103 HydrophobicContact CB-CH2 3.73Å; K825-W1103 HydrophobicContact CB-CZ2 4.22Å; K825-W1103 HydrophobicContact CB-CZ3 4.5Å; K825-W1103 HydrophobicContact CD-CE3 4.32Å; K825-W1103 HydrophobicContact CD-CH2 3.71Å; K825-W1103 HydrophobicContact CD-CZ2 4.28Å; K825-W1103 HydrophobicContact CD-CZ3 3.71Å; K825-W1103 HydrophobicContact CG-CH2 3.51Å; K825-W1103 HydrophobicContact CG-CZ2 3.76Å; K825-W1103 HydrophobicContact CG-CZ3 4.07Å; M878-W1103 HydrophobicContact CE-CB 4.23Å; M878-W1103 HydrophobicContact CE-CD2 4.13Å; M878-W1103 HydrophobicContact CE-CG 3.68Å; M878-W1103 HydrophobicContact SD-CB 4.1Å; M878-W1103 HydrophobicContact SD-CG 4.03Å; R1099-W1103 WeakPolarHBondContact O-CB 3.32Å; R1099-W1103 PolarHBondContact O-N 3.34Å; A1100-W1103 PolarHBondContact O-N 2.99Å; W1103-R1106 WeakPolarHBondContact O-CD 3.36Å; W1103-R1106 WeakPolarHBondContact O-CG 3.45Å; W1103-R1106 PolarHBondContact O-NE 3.37Å
1104	M	95.4	Very high	95.6	Very high	46 Å²	46	22.9 Å²	22.9	23%	0.227	13%	0.127	C	C	.	.	H	α-helix	trans	-80.8	-32.9	177.6	-66.5	-57.3	-74.7	0	0	112.4	T863 V865 A876 M878 A1100 K1101 V1102 R1106 T1107 S1108	T863-M1104 HydrophobicContact CG2-CG 4.33Å; V865-M1104 HydrophobicContact CG1-CB 3.72Å; A876-M1104 HydrophobicContact CB-CB 4.49Å; A876-M1104 HydrophobicContact CB-CE 4.02Å; M878-M1104 HydrophobicContact CB-CG 3.86Å; M878-M1104 HydrophobicContact CB-SD 4.03Å; M878-M1104 HydrophobicContact CG-CG 4.33Å; M878-M1104 HydrophobicContact CG-SD 4.2Å; A1100-M1104 WeakPolarHBondContact O-CB 3.23Å; A1100-M1104 WeakPolarHBondContact O-CG 3.48Å; A1100-M1104 PolarHBondContact O-N 3.01Å; K1101-M1104 PolarHBondContact O-N 3.03Å; V1102-M1104 PolarHBondContact O-N 3.35Å; M1104-R1106 PolarHBondContact O-N 2.93Å; M1104-T1107 PolarHBondContact O-OG1 3.46Å; M1104-S1108 PolarHBondContact O-N 3.39Å; M1104-S1108 PolarHBondContact O-OG 3.3Å
1105	A	95.3	Very high	95.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-33.1	-179.4	0	0	0	0	0	113.4	V865 L1068 K1101 V1102 T1107 S1108 S1109	V865-A1105 HydrophobicContact CG1-CB 4.35Å; L1068-A1105 HydrophobicContact CD1-CB 3.51Å; L1068-A1105 HydrophobicContact CG-CB 3.79Å; L1068-A1105 WeakPolarHBondContact O-CB 3.48Å; K1101-A1105 WeakPolarHBondContact O-CB 3.39Å; K1101-A1105 PolarHBondContact O-N 3.33Å; V1102-A1105 PolarHBondContact O-N 3.17Å; A1105-T1107 PolarHBondContact O-N 3.32Å; A1105-T1107 VanDerWaalsContact O-N 3.16Å; A1105-S1108 WeakPolarHBondContact CA-OG 3.4Å; A1105-S1108 PolarHBondContact O-N 2.97Å; A1105-S1109 WeakPolarHBondContact O-CB 3.46Å; A1105-S1109 PolarHBondContact O-N 2.98Å; A1105-S1109 PolarHBondContact O-OG 3.49Å
1106	R	95.3	Very high	95.7	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-19.6	-176.7	76.3	-162.5	163	104.9	20	114.3	L822 T823 W1043 L1068 V1102 W1103 M1104 F1112	L822-R1106 PolarHBondContact O-NH1 3.35Å; T823-R1106 PolarHBondContact O-NH2 3.14Å; W1043-R1106 HydrophobicContact CE3-CB 4.31Å; W1043-R1106 HydrophobicContact CE3-CG 4.22Å; W1043-R1106 HydrophobicContact CZ3-CB 4.44Å; W1043-R1106 HydrophobicContact CZ3-CG 4.17Å; W1043-R1106 VanDerWaalsContact O-CD 3.29Å; W1043-R1106 WeakPolarHBondContact O-CD 3.4Å; W1043-R1106 PolarHBondContact O-NH1 3.5Å; L1068-R1106 HydrophobicContact CD1-CB 4.24Å; V1102-R1106 PolarHBondContact O-N 3.44Å; W1103-R1106 WeakPolarHBondContact O-CD 3.36Å; W1103-R1106 WeakPolarHBondContact O-CG 3.45Å; W1103-R1106 PolarHBondContact O-NE 3.37Å; M1104-R1106 PolarHBondContact O-N 2.93Å; R1106-F1112 HydrophobicContact CB-CD2 3.95Å; R1106-F1112 HydrophobicContact CB-CE2 3.89Å; R1106-F1112 WeakPolarHBondContact O-CD2 3.31Å
1107	T	94	Very high	95.9	Very high	80 Å²	80	28.8 Å²	28.8	49%	0.491	15%	0.146	S	C	.	.	H	α-helix	trans	-108.6	-17.1	177.4	51.4	0	0	0	0	113.7	T823 W1043 M1104 A1105	T823-T1107 HydrophobicContact CG2-CG2 4.5Å; W1043-T1107 HydrophobicContact CH2-CG2 4.42Å; M1104-T1107 PolarHBondContact O-OG1 3.46Å; A1105-T1107 PolarHBondContact O-N 3.32Å; A1105-T1107 VanDerWaalsContact O-N 3.16Å
1108	S	94.4	Very high	96.1	Very high	30 Å²	30	25.4 Å²	25.4	21%	0.21	13%	0.128	C	C	.	.	H	α-helix	trans	-100	-27.5	178.6	50.9	0	0	0	0	113.8	S867 G868 M1104 A1105	S867-S1108 CarbonylContact C-O 3.33Å; S867-S1108 WeakPolarHBondContact CA-O 3.38Å; G868-S1108 PolarHBondContact N-O 3.3Å; M1104-S1108 PolarHBondContact O-N 3.39Å; M1104-S1108 PolarHBondContact O-OG 3.3Å; A1105-S1108 WeakPolarHBondContact CA-OG 3.4Å; A1105-S1108 PolarHBondContact O-N 2.97Å
1109	S	95.2	Very high	96.1	Very high	7 Å²	7	29.2 Å²	29.2	5%	0.049	15%	0.145	C	C	.	.	S	Bend	trans	-84.7	170.7	174.5	74.6	0	0	0	0	112.8	L1068 A1105 L1111	L1068-S1109 WeakPolarHBondContact CD1-OG 3.43Å; A1105-S1109 WeakPolarHBondContact O-CB 3.46Å; A1105-S1109 PolarHBondContact O-N 2.98Å; A1105-S1109 PolarHBondContact O-OG 3.49Å; S1109-L1111 VanDerWaalsContact C-N 3.31Å; S1109-L1111 PolarHBondContact O-N 2.97Å
1110	T	94.6	Very high	96.2	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-79.2	-4.4	-179.6	56	0	0	0	0	114.9	H808 P869 F1112 D1113 Q1116	H808-T1110 PolarHBondContact CD2-OG1 3.38Å; P869-T1110 HydrophobicContact CB-CG2 4.11Å; T1110-F1112 VanDerWaalsContact C-N 3.28Å; T1110-F1112 PolarHBondContact O-N 3.3Å; T1110-D1113 PolarHBondContact O-N 3.17Å; T1110-Q1116 HydrophobicContact CG2-CG 4.01Å
1111	L	96.9	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61.7	-32.3	-171.3	-178.4	61.6	0	0	0	113.9	T809 M1039 L1042 Q1064 A1067 L1068 S1109	T809-L1111 HydrophobicContact CG2-CD1 3.9Å; M1039-L1111 HydrophobicContact CE-CD1 3.62Å; M1039-L1111 HydrophobicContact CE-CD2 4.38Å; M1039-L1111 HydrophobicContact CE-CG 3.72Å; M1039-L1111 WeakPolarHBondContact CE-O 3.31Å; M1039-L1111 HydrophobicContact SD-CD1 3.76Å; M1039-L1111 HydrophobicContact SD-CD2 4.25Å; M1039-L1111 HydrophobicContact SD-CG 4.11Å; L1042-L1111 HydrophobicContact CD1-CD2 3.78Å; Q1064-L1111 HydrophobicContact CB-CD1 4.25Å; Q1064-L1111 HydrophobicContact CB-CD2 4.35Å; Q1064-L1111 HydrophobicContact CG-CD1 4.27Å; A1067-L1111 HydrophobicContact CB-CB 4.43Å; A1067-L1111 HydrophobicContact CB-CD1 4.17Å; L1068-L1111 HydrophobicContact CB-CD2 3.99Å; L1068-L1111 HydrophobicContact CD1-CD2 4.19Å; L1068-L1111 HydrophobicContact CD2-CD2 4.47Å; L1068-L1111 HydrophobicContact CG-CD2 4.46Å; S1109-L1111 VanDerWaalsContact C-N 3.31Å; S1109-L1111 PolarHBondContact O-N 2.97Å
1112	F	97.4	Very high	96.4	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.031	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-117.6	8.6	177.9	-61.8	-87.2	0	0	0	112.7	H815 M1039 L1042 W1043 R1106 T1110 V1114	H815-F1112 HydrophobicContact CB-CD1 3.88Å; H815-F1112 HydrophobicContact CB-CE1 3.9Å; H815-F1112 AromaticContact CG-CE1 3.72Å; H815-F1112 AromaticContact ND1-CE1 3.74Å; M1039-F1112 HydrophobicContact CB-CE1 4.13Å; M1039-F1112 HydrophobicContact CB-CZ 4.39Å; M1039-F1112 HydrophobicContact CE-CD1 4Å; M1039-F1112 HydrophobicContact CE-CE1 3.7Å; M1039-F1112 HydrophobicContact CE-CZ 4.02Å; M1039-F1112 WeakPolarHBondContact O-CZ 3.36Å; L1042-F1112 HydrophobicContact CB-CE2 4.32Å; L1042-F1112 HydrophobicContact CB-CZ 4.19Å; W1043-F1112 HydrophobicContact CB-CE1 4.06Å; W1043-F1112 HydrophobicContact CB-CZ 3.96Å; W1043-F1112 HydrophobicContact CD2-CD1 4.47Å; W1043-F1112 HydrophobicContact CD2-CE1 4.38Å; W1043-F1112 HydrophobicContact CE3-CB 4.23Å; W1043-F1112 AromaticContact CE3-CD1 3.65Å; W1043-F1112 HydrophobicContact CE3-CD1 3.65Å; W1043-F1112 AromaticContact CE3-CD2 3.78Å; W1043-F1112 HydrophobicContact CE3-CD2 3.78Å; W1043-F1112 AromaticContact CE3-CE1 3.81Å; W1043-F1112 HydrophobicContact CE3-CE1 3.81Å; W1043-F1112 AromaticContact CE3-CE2 3.95Å; W1043-F1112 HydrophobicContact CE3-CE2 3.95Å; W1043-F1112 AromaticContact CE3-CG 3.62Å; W1043-F1112 HydrophobicContact CE3-CG 3.62Å; W1043-F1112 AromaticContact CE3-CZ 3.97Å; W1043-F1112 HydrophobicContact CE3-CZ 3.97Å; W1043-F1112 HydrophobicContact CZ3-CB 3.84Å; W1043-F1112 HydrophobicContact CZ3-CD1 4.13Å; W1043-F1112 HydrophobicContact CZ3-CD2 4.04Å; W1043-F1112 AromaticContact CZ3-CG 3.75Å; W1043-F1112 HydrophobicContact CZ3-CG 3.75Å; R1106-F1112 HydrophobicContact CB-CD2 3.95Å; R1106-F1112 HydrophobicContact CB-CE2 3.89Å; R1106-F1112 WeakPolarHBondContact O-CD2 3.31Å; T1110-F1112 VanDerWaalsContact C-N 3.28Å; T1110-F1112 PolarHBondContact O-N 3.3Å; F1112-V1114 PolarHBondContact O-N 2.93Å; F1112-V1114 VanDerWaalsContact O-N 3.14Å
1113	D	97	Very high	96.4	Very high	69 Å²	69	31.8 Å²	31.8	37%	0.369	16%	0.161	S	C	.	.			trans	-84.5	86.7	174.5	-171.4	-15.1	0	0	0	110.1	T1110 K1115 Q1116 Y1117	T1110-D1113 PolarHBondContact O-N 3.17Å; D1113-K1115 PolarHBondContact O-N 3.21Å; D1113-K1115 WeakPolarHBondContact OD1-CA 3.42Å; D1113-K1115 WeakPolarHBondContact OD1-CB 3.47Å; D1113-K1115 PolarHBondContact OD1-N 2.97Å; D1113-Q1116 HydrophobicContact CB-CB 4.06Å; D1113-Q1116 PolarHBondContact O-N 3.49Å; D1113-Q1116 PolarHBondContact OD1-N 3.4Å; D1113-Q1116 WeakPolarHBondContact OD2-CB 3.37Å; D1113-Y1117 WeakPolarHBondContact O-CB 3.46Å; D1113-Y1117 PolarHBondContact O-N 2.95Å
1114	V	97.5	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-28.7	177.2	-173.8	0	0	0	0	112	I684 M687 I812 F1112 C1118	I684-V1114 HydrophobicContact CD1-CG1 4.5Å; I684-V1114 HydrophobicContact CG1-CG1 3.58Å; M687-V1114 HydrophobicContact SD-CB 3.75Å; M687-V1114 HydrophobicContact SD-CG1 3.61Å; I812-V1114 HydrophobicContact CD1-CG2 4.14Å; I812-V1114 HydrophobicContact CG1-CG2 4.25Å; F1112-V1114 PolarHBondContact O-N 2.93Å; F1112-V1114 VanDerWaalsContact O-N 3.14Å; V1114-C1118 PolarHBondContact O-N 3.31Å; V1114-C1118 PolarHBondContact O-SG 3.27Å
1115	K	96.8	Very high	96.6	Very high	155 Å²	155	28.9 Å²	28.9	67%	0.674	15%	0.148	S	C	*	.	H	α-helix	trans	-76.5	-46	-178.5	-172.6	-178	178.1	-175.7	0	111.4	D1113 Y1117 C1118 H1119	D1113-K1115 PolarHBondContact O-N 3.21Å; D1113-K1115 WeakPolarHBondContact OD1-CA 3.42Å; D1113-K1115 WeakPolarHBondContact OD1-CB 3.47Å; D1113-K1115 PolarHBondContact OD1-N 2.97Å; K1115-Y1117 VanDerWaalsContact C-N 3.28Å; K1115-Y1117 PolarHBondContact O-N 3.37Å; K1115-C1118 PolarHBondContact O-N 2.98Å; K1115-H1119 PolarHBondContact O-N 3.42Å; K1115-H1119 VanDerWaalsContact O-N 3.17Å
1116	Q	96.6	Very high	96.6	Very high	43 Å²	43	30.2 Å²	30.2	20%	0.201	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-42.2	171.7	-175.3	62.6	50.2	0	0	110.5	P869 T1110 D1113 C1118 H1119 D1120	P869-Q1116 HydrophobicContact CB-CG 4.28Å; T1110-Q1116 HydrophobicContact CG2-CG 4.01Å; D1113-Q1116 HydrophobicContact CB-CB 4.06Å; D1113-Q1116 PolarHBondContact O-N 3.49Å; D1113-Q1116 PolarHBondContact OD1-N 3.4Å; D1113-Q1116 WeakPolarHBondContact OD2-CB 3.37Å; Q1116-C1118 VanDerWaalsContact C-N 3.34Å; Q1116-C1118 PolarHBondContact O-N 3.46Å; Q1116-H1119 WeakPolarHBondContact O-CB 3.27Å; Q1116-H1119 PolarHBondContact O-N 2.98Å; Q1116-H1119 VanDerWaalsContact O-N 3.15Å; Q1116-D1120 PolarHBondContact NE2-OD1 3.32Å; Q1116-D1120 VanDerWaalsContact O-CG 3.24Å; Q1116-D1120 PolarHBondContact O-N 3.24Å
1117	Y	97.7	Very high	96.7	Very high	8 Å²	8	34 Å²	34	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-42.5	176	-169.7	-77.1	0	0	0	112.6	I684 W769 M806 F810 I812 D1113 K1115 D1120 M1121	I684-Y1117 HydrophobicContact CD1-CD1 3.74Å; I684-Y1117 HydrophobicContact CD1-CE1 3.87Å; W769-Y1117 AromaticContact CZ2-CE1 3.76Å; W769-Y1117 HydrophobicContact CZ2-CE1 3.76Å; W769-Y1117 PolarHBondContact NE1-OH 3.11Å; M806-Y1117 HydrophobicContact CE-CD1 4.12Å; M806-Y1117 HydrophobicContact CE-CD2 3.96Å; M806-Y1117 HydrophobicContact CE-CE1 3.92Å; M806-Y1117 HydrophobicContact CE-CE2 3.81Å; M806-Y1117 HydrophobicContact CE-CG 4.12Å; F810-Y1117 PolarHBondContact O-OH 3.16Å; I812-Y1117 HydrophobicContact CB-CD1 4.41Å; I812-Y1117 HydrophobicContact CB-CD2 3.73Å; I812-Y1117 HydrophobicContact CB-CE1 4.4Å; I812-Y1117 HydrophobicContact CB-CE2 3.68Å; I812-Y1117 HydrophobicContact CB-CG 4.1Å; I812-Y1117 HydrophobicContact CD1-CD2 3.91Å; I812-Y1117 HydrophobicContact CD1-CG 4Å; I812-Y1117 HydrophobicContact CG1-CD1 4.32Å; I812-Y1117 HydrophobicContact CG1-CD2 3.94Å; I812-Y1117 HydrophobicContact CG1-CE2 4.38Å; I812-Y1117 HydrophobicContact CG1-CG 3.89Å; I812-Y1117 HydrophobicContact CG2-CE1 4.21Å; I812-Y1117 HydrophobicContact CG2-CE2 4.17Å; D1113-Y1117 WeakPolarHBondContact O-CB 3.46Å; D1113-Y1117 PolarHBondContact O-N 2.95Å; K1115-Y1117 VanDerWaalsContact C-N 3.28Å; K1115-Y1117 PolarHBondContact O-N 3.37Å; Y1117-D1120 PolarHBondContact O-N 3.01Å; Y1117-M1121 HydrophobicContact CE1-CB 4.43Å; Y1117-M1121 HydrophobicContact CE1-SD 3.99Å; Y1117-M1121 VanDerWaalsContact O-CB 3.22Å; Y1117-M1121 WeakPolarHBondContact O-CB 3.34Å; Y1117-M1121 PolarHBondContact O-N 3.35Å
1118	C	98.1	Very high	96.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-43.9	175.6	-69.9	0	0	0	0	111.8	V1114 K1115 Q1116 M1121 E1122	V1114-C1118 PolarHBondContact O-N 3.31Å; V1114-C1118 PolarHBondContact O-SG 3.27Å; K1115-C1118 PolarHBondContact O-N 2.98Å; Q1116-C1118 VanDerWaalsContact C-N 3.34Å; Q1116-C1118 PolarHBondContact O-N 3.46Å; C1118-M1121 PolarHBondContact O-N 2.65Å; C1118-E1122 VanDerWaalsContact O-CG 3.23Å; C1118-E1122 WeakPolarHBondContact O-CG 3.35Å; C1118-E1122 PolarHBondContact O-N 3.04Å
1119	H	97	Very high	97	Very high	90 Å²	90	29 Å²	29	42%	0.417	15%	0.147	S	C	.	.	H	α-helix	trans	-62.1	-48	177.8	-178.7	66.3	0	0	0	112.1	K1115 Q1116 M1121 E1122 D1123	K1115-H1119 PolarHBondContact O-N 3.42Å; K1115-H1119 VanDerWaalsContact O-N 3.17Å; Q1116-H1119 WeakPolarHBondContact O-CB 3.27Å; Q1116-H1119 PolarHBondContact O-N 2.98Å; Q1116-H1119 VanDerWaalsContact O-N 3.15Å; H1119-M1121 VanDerWaalsContact C-N 3.28Å; H1119-M1121 PolarHBondContact O-N 3.3Å; H1119-E1122 PolarHBondContact O-N 2.98Å; H1119-D1123 PolarHBondContact O-N 3.13Å; H1119-D1123 VanDerWaalsContact O-N 3.08Å
1120	D	96.4	Very high	97	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-39.9	176.3	-65.5	-13.6	0	0	0	111.6	M806 P807 H808 Q1116 Y1117 D1123 L1124	M806-D1120 HydrophobicContact CE-CB 3.61Å; P807-D1120 HydrophobicContact CG-CB 3.77Å; P807-D1120 VanDerWaalsContact CG-CG 3.42Å; P807-D1120 VanDerWaalsContact CG-OD2 3.28Å; P807-D1120 WeakPolarHBondContact CG-OD2 3.3Å; H808-D1120 IonicContact CD2-OD2 3.59Å; H808-D1120 IonicContact NE2-OD2 3.68Å; Q1116-D1120 PolarHBondContact NE2-OD1 3.32Å; Q1116-D1120 VanDerWaalsContact O-CG 3.24Å; Q1116-D1120 PolarHBondContact O-N 3.24Å; Y1117-D1120 PolarHBondContact O-N 3.01Å; D1120-D1123 PolarHBondContact O-N 3.33Å; D1120-L1124 WeakPolarHBondContact O-CB 3.36Å; D1120-L1124 PolarHBondContact O-N 3.19Å
1121	M	97.5	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.4	-40.5	179.1	-170.7	175.1	-168.6	0	0	111.6	Y667 I744 W769 I785 M806 Y1117 C1118 H1119 D1123 L1124 L1125	Y667-M1121 HydrophobicContact CE1-CE 3.9Å; Y667-M1121 WeakPolarHBondContact OH-CE 3.32Å; Y667-M1121 PolarHBondContact OH-SD 2.97Å; I744-M1121 HydrophobicContact CD1-CE 3.82Å; W769-M1121 HydrophobicContact CD2-CE 3.78Å; W769-M1121 HydrophobicContact CE3-CE 4.01Å; W769-M1121 HydrophobicContact CG-CE 4.31Å; W769-M1121 HydrophobicContact CH2-CE 4.17Å; W769-M1121 HydrophobicContact CH2-SD 4.29Å; W769-M1121 HydrophobicContact CZ2-CE 3.97Å; W769-M1121 HydrophobicContact CZ2-SD 4.01Å; W769-M1121 HydrophobicContact CZ3-CE 4.19Å; I785-M1121 HydrophobicContact CD1-CE 3.89Å; M806-M1121 HydrophobicContact CE-CB 4.01Å; M806-M1121 HydrophobicContact SD-CB 4.17Å; Y1117-M1121 HydrophobicContact CE1-CB 4.43Å; Y1117-M1121 HydrophobicContact CE1-SD 3.99Å; Y1117-M1121 VanDerWaalsContact O-CB 3.22Å; Y1117-M1121 WeakPolarHBondContact O-CB 3.34Å; Y1117-M1121 PolarHBondContact O-N 3.35Å; C1118-M1121 PolarHBondContact O-N 2.65Å; H1119-M1121 VanDerWaalsContact C-N 3.28Å; H1119-M1121 PolarHBondContact O-N 3.3Å; M1121-D1123 VanDerWaalsContact C-N 3.33Å; M1121-D1123 PolarHBondContact O-N 3.39Å; M1121-L1124 PolarHBondContact O-N 3.25Å; M1121-L1125 HydrophobicContact CE-CD1 4.32Å; M1121-L1125 HydrophobicContact CG-CD1 3.9Å; M1121-L1125 HydrophobicContact CG-CG 4.3Å; M1121-L1125 VanDerWaalsContact O-CB 3.32Å; M1121-L1125 WeakPolarHBondContact O-CB 3.38Å; M1121-L1125 WeakPolarHBondContact O-CG 3.21Å; M1121-L1125 PolarHBondContact O-N 2.72Å
1122	E	97.9	Very high	97.1	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-41	173.8	-73.1	161.5	-161.8	0	0	112.3	H688 D689 R692 V693 C1118 H1119 L1125 G1126	H688-E1122 VanDerWaalsContact CA-OE1 3.3Å; H688-E1122 WeakPolarHBondContact CA-OE1 3.19Å; H688-E1122 IonicContact CE1-OE1 3.4Å; H688-E1122 IonicContact CG-OE1 4Å; H688-E1122 WeakPolarHBondContact ND1-CG 3.44Å; H688-E1122 IonicContact ND1-OE1 2.7Å; H688-E1122 PolarHBondContact ND1-OE1 2.91Å; D689-E1122 PolarHBondContact N-OE1 3.24Å; R692-E1122 IonicContact CZ-OE2 3.74Å; R692-E1122 IonicContact NE-OE2 2.74Å; R692-E1122 VanDerWaalsContact NH1-CB 3.3Å; R692-E1122 IonicContact NH1-OE2 3.12Å; R692-E1122 PolarHBondContact NH1-OE2 3.41Å; V693-E1122 HydrophobicContact CG1-CG 3.93Å; C1118-E1122 VanDerWaalsContact O-CG 3.23Å; C1118-E1122 WeakPolarHBondContact O-CG 3.35Å; C1118-E1122 PolarHBondContact O-N 3.04Å; H1119-E1122 PolarHBondContact O-N 2.98Å; E1122-L1125 PolarHBondContact O-N 3.28Å; E1122-G1126 PolarHBondContact O-N 3.4Å
1123	D	96.7	Very high	97	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-67.2	-38.2	176.9	-84.8	27.7	0	0	0	111.8	R692 H1119 D1120 M1121 Q1127	R692-D1123 IonicContact CZ-OD1 3.72Å; R692-D1123 IonicContact NH1-OD1 2.71Å; R692-D1123 PolarHBondContact NH1-OD1 2.82Å; R692-D1123 VanDerWaalsContact NH1-OD1 3.11Å; R692-D1123 IonicContact NH2-OD1 3.98Å; R692-D1123 PolarHBondContact NH2-OD1 3.5Å; H1119-D1123 PolarHBondContact O-N 3.13Å; H1119-D1123 VanDerWaalsContact O-N 3.08Å; D1120-D1123 PolarHBondContact O-N 3.33Å; M1121-D1123 VanDerWaalsContact C-N 3.33Å; M1121-D1123 PolarHBondContact O-N 3.39Å; D1123-Q1127 WeakPolarHBondContact O-CG 3.37Å; D1123-Q1127 PolarHBondContact O-N 2.81Å; D1123-Q1127 PolarHBondContact O-NE2 3.48Å; D1123-Q1127 VanDerWaalsContact O-NE2 3.14Å
1124	L	97.5	Very high	96.9	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-46	174.5	-175	60.2	0	0	0	112	I785 A804 Y805 M806 D1120 M1121 Q1127 M1128 I1141	I785-L1124 HydrophobicContact CG1-CD2 4.09Å; I785-L1124 HydrophobicContact CG2-CD2 4.14Å; A804-L1124 HydrophobicContact CB-CD1 4.07Å; A804-L1124 HydrophobicContact CB-CD2 4.18Å; A804-L1124 HydrophobicContact CB-CG 4.35Å; Y805-L1124 WeakPolarHBondContact O-CD1 3.23Å; M806-L1124 HydrophobicContact CG-CD2 4.26Å; M806-L1124 HydrophobicContact SD-CD2 3.75Å; D1120-L1124 WeakPolarHBondContact O-CB 3.36Å; D1120-L1124 PolarHBondContact O-N 3.19Å; M1121-L1124 PolarHBondContact O-N 3.25Å; L1124-Q1127 WeakPolarHBondContact O-CB 3.38Å; L1124-Q1127 PolarHBondContact O-N 3.24Å; L1124-M1128 HydrophobicContact CG-CE 4.3Å; L1124-M1128 PolarHBondContact O-N 2.95Å; L1124-I1141 HydrophobicContact CD1-CB 4.34Å; L1124-I1141 HydrophobicContact CD1-CG2 3.77Å
1125	L	97.8	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-37.8	177.3	-69.1	174.3	0	0	0	111.6	L663 I665 I742 I744 I785 M1121 E1122 Q1127 M1128 W1129	L663-L1125 HydrophobicContact CD2-CB 4.14Å; I665-L1125 HydrophobicContact CD1-CD1 3.49Å; I665-L1125 VanDerWaalsContact CD1-CD1 3.49Å; I665-L1125 HydrophobicContact CG1-CD1 4.03Å; I665-L1125 HydrophobicContact CG2-CD1 4.34Å; I742-L1125 HydrophobicContact CD1-CB 3.95Å; I742-L1125 HydrophobicContact CD1-CD2 3.9Å; I742-L1125 WeakPolarHBondContact CD1-O 3.33Å; I742-L1125 HydrophobicContact CG2-CD2 3.94Å; I744-L1125 HydrophobicContact CD1-CD1 4.29Å; I744-L1125 HydrophobicContact CD1-CD2 4.26Å; I785-L1125 HydrophobicContact CD1-CD2 4.27Å; M1121-L1125 HydrophobicContact CE-CD1 4.32Å; M1121-L1125 HydrophobicContact CG-CD1 3.9Å; M1121-L1125 HydrophobicContact CG-CG 4.3Å; M1121-L1125 VanDerWaalsContact O-CB 3.32Å; M1121-L1125 WeakPolarHBondContact O-CB 3.38Å; M1121-L1125 WeakPolarHBondContact O-CG 3.21Å; M1121-L1125 PolarHBondContact O-N 2.72Å; E1122-L1125 PolarHBondContact O-N 3.28Å; L1125-Q1127 VanDerWaalsContact C-N 3.33Å; L1125-Q1127 PolarHBondContact O-N 2.93Å; L1125-M1128 HydrophobicContact CD2-SD 3.93Å; L1125-M1128 WeakPolarHBondContact O-CB 3.23Å; L1125-M1128 PolarHBondContact O-N 3.25Å; L1125-W1129 PolarHBondContact O-N 3.06Å
1126	G	96.8	Very high	96.7	Very high	29 Å²	29	41 Å²	41	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-37.6	172.1	0	0	0	0	0	112.8	E1122 W1129 K1130	E1122-G1126 PolarHBondContact O-N 3.4Å; G1126-W1129 PolarHBondContact O-N 3.47Å; G1126-K1130 VanDerWaalsContact O-CB 3.24Å; G1126-K1130 WeakPolarHBondContact O-CB 3.33Å; G1126-K1130 PolarHBondContact O-N 3.5Å
1127	Q	96.6	Very high	96.7	Very high	85 Å²	85	43.6 Å²	43.6	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-42	172.4	-75.3	172	83.9	0	0	112.4	D1123 L1124 L1125 R1131 I1141	D1123-Q1127 WeakPolarHBondContact O-CG 3.37Å; D1123-Q1127 PolarHBondContact O-N 2.81Å; D1123-Q1127 PolarHBondContact O-NE2 3.48Å; D1123-Q1127 VanDerWaalsContact O-NE2 3.14Å; L1124-Q1127 WeakPolarHBondContact O-CB 3.38Å; L1124-Q1127 PolarHBondContact O-N 3.24Å; L1125-Q1127 VanDerWaalsContact C-N 3.33Å; L1125-Q1127 PolarHBondContact O-N 2.93Å; Q1127-R1131 WeakPolarHBondContact O-CB 3.33Å; Q1127-R1131 PolarHBondContact O-N 2.93Å; Q1127-I1141 HydrophobicContact CB-CD1 4.34Å; Q1127-I1141 HydrophobicContact CB-CG2 4.29Å
1128	M	97.6	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-49.6	173.5	-65.7	178.2	-176.4	0	0	111.2	I742 I765 V767 Y783 I785 A804 L1124 L1125 R1131 Y1132 I1141	I742-M1128 HydrophobicContact CD1-CB 4.18Å; I765-M1128 HydrophobicContact CD1-CB 4.23Å; V767-M1128 HydrophobicContact CG1-CE 4.16Å; V767-M1128 HydrophobicContact CG2-CE 4.36Å; V767-M1128 HydrophobicContact CG2-SD 3.8Å; Y783-M1128 HydrophobicContact CD1-CE 4.24Å; Y783-M1128 HydrophobicContact CD2-CE 4.24Å; Y783-M1128 HydrophobicContact CD2-CG 4.05Å; Y783-M1128 HydrophobicContact CD2-SD 3.89Å; Y783-M1128 HydrophobicContact CE2-CB 4.27Å; Y783-M1128 HydrophobicContact CE2-CG 3.98Å; Y783-M1128 HydrophobicContact CE2-SD 4.41Å; Y783-M1128 HydrophobicContact CG-CE 3.85Å; Y783-M1128 HydrophobicContact CG-CG 4.42Å; Y783-M1128 HydrophobicContact CG-SD 4.13Å; I785-M1128 HydrophobicContact CD1-CE 4.34Å; I785-M1128 HydrophobicContact CG1-CE 3.91Å; A804-M1128 HydrophobicContact CB-CE 3.3Å; L1124-M1128 HydrophobicContact CG-CE 4.3Å; L1124-M1128 PolarHBondContact O-N 2.95Å; L1125-M1128 HydrophobicContact CD2-SD 3.93Å; L1125-M1128 WeakPolarHBondContact O-CB 3.23Å; L1125-M1128 PolarHBondContact O-N 3.25Å; M1128-R1131 PolarHBondContact O-N 2.96Å; M1128-Y1132 PolarHBondContact O-N 3.17Å; M1128-Y1132 VanDerWaalsContact O-N 3.13Å; M1128-I1141 HydrophobicContact CB-CD1 4.29Å; M1128-I1141 HydrophobicContact CG-CD1 3.59Å
1129	W	97.6	Very high	96.5	Very high	6 Å²	6	48.9 Å²	48.9	2%	0.023	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-51.3	179.3	-179.8	-102.2	0	0	0	111.8	R654 V657 L663 H741 I742 P764 I765 L1125 G1126 R1131 Y1132 E1133	R654-W1129 WeakPolarHBondContact O-CZ2 3.39Å; V657-W1129 HydrophobicContact CG2-CD2 4.4Å; V657-W1129 HydrophobicContact CG2-CG 4.42Å; V657-W1129 HydrophobicContact CG2-CZ2 4.26Å; L663-W1129 HydrophobicContact CD1-CB 3.71Å; L663-W1129 HydrophobicContact CD1-CD2 3.92Å; L663-W1129 HydrophobicContact CD1-CE3 4.27Å; L663-W1129 HydrophobicContact CD1-CG 3.65Å; L663-W1129 HydrophobicContact CD2-CB 4.32Å; H741-W1129 HydrophobicContact CB-CD2 4.43Å; H741-W1129 HydrophobicContact CB-CE3 3.72Å; H741-W1129 HydrophobicContact CB-CH2 4.3Å; H741-W1129 HydrophobicContact CB-CZ3 3.66Å; H741-W1129 AromaticContact CD2-CH2 3.41Å; H741-W1129 VanDerWaalsContact CD2-CH2 3.41Å; H741-W1129 WeakPolarHBondContact CD2-CH2 3.22Å; H741-W1129 AromaticContact CD2-CZ2 3.83Å; H741-W1129 AromaticContact CD2-CZ3 3.7Å; I742-W1129 HydrophobicContact CD1-CB 4.44Å; P764-W1129 HydrophobicContact CG-CZ3 3.96Å; I765-W1129 HydrophobicContact CD1-CE3 4.06Å; L1125-W1129 PolarHBondContact O-N 3.06Å; G1126-W1129 PolarHBondContact O-N 3.47Å; W1129-R1131 PolarHBondContact O-N 3.44Å; W1129-R1131 VanDerWaalsContact O-N 3.16Å; W1129-Y1132 AromaticContact CE3-CD1 3.93Å; W1129-Y1132 HydrophobicContact CE3-CD1 3.93Å; W1129-Y1132 AromaticContact CH2-CD1 3.8Å; W1129-Y1132 HydrophobicContact CH2-CD1 3.8Å; W1129-Y1132 AromaticContact CH2-CE1 3.78Å; W1129-Y1132 HydrophobicContact CH2-CE1 3.78Å; W1129-Y1132 HydrophobicContact CZ2-CD1 4.45Å; W1129-Y1132 AromaticContact CZ3-CD1 3.5Å; W1129-Y1132 HydrophobicContact CZ3-CD1 3.5Å; W1129-Y1132 VanDerWaalsContact CZ3-CD1 3.5Å; W1129-Y1132 AromaticContact CZ3-CE1 3.75Å; W1129-Y1132 HydrophobicContact CZ3-CE1 3.75Å; W1129-Y1132 HydrophobicContact CZ3-CG 4.49Å; W1129-Y1132 CarbonylContact O-C 3.58Å; W1129-Y1132 WeakPolarHBondContact O-CA 3.29Å; W1129-Y1132 WeakPolarHBondContact O-CB 3.47Å; W1129-Y1132 PolarHBondContact O-N 3.48Å; W1129-E1133 PolarHBondContact NE1-OE1 2.95Å; W1129-E1133 WeakPolarHBondContact O-CB 3.46Å; W1129-E1133 PolarHBondContact O-N 3.26Å
1130	K	96	Very high	96.5	Very high	139 Å²	139	47.2 Å²	47.2	60%	0.604	26%	0.257	S	S	*	.	H	α-helix	trans	-56.7	-35.6	179.9	-174.4	173.6	-175.8	174.2	0	112.3	G1126 S1134	G1126-K1130 VanDerWaalsContact O-CB 3.24Å; G1126-K1130 WeakPolarHBondContact O-CB 3.33Å; G1126-K1130 PolarHBondContact O-N 3.5Å; K1130-S1134 WeakPolarHBondContact O-CB 3.35Å; K1130-S1134 PolarHBondContact O-N 3.15Å; K1130-S1134 PolarHBondContact O-OG 3.1Å
1131	R	96.3	Very high	96.5	Very high	65 Å²	65	46.8 Å²	46.8	25%	0.245	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-44.3	175.7	-167.9	173.1	178.4	97.5	4.9	111.7	Q1127 M1128 W1129 M1136 P1137 D1139	Q1127-R1131 WeakPolarHBondContact O-CB 3.33Å; Q1127-R1131 PolarHBondContact O-N 2.93Å; M1128-R1131 PolarHBondContact O-N 2.96Å; W1129-R1131 PolarHBondContact O-N 3.44Å; W1129-R1131 VanDerWaalsContact O-N 3.16Å; R1131-M1136 HydrophobicContact CG-CB 3.61Å; R1131-M1136 HydrophobicContact CG-CG 4.46Å; R1131-M1136 HydrophobicContact CG-SD 4.23Å; R1131-M1136 WeakPolarHBondContact O-CB 3.4Å; R1131-M1136 PolarHBondContact O-N 3.42Å; R1131-M1136 VanDerWaalsContact O-N 3.11Å; R1131-P1137 PolarHBondContact NE-O 2.99Å; R1131-P1137 PolarHBondContact NH2-O 3.32Å; R1131-D1139 IonicContact NH2-OD2 3.86Å
1132	Y	96.2	Very high	96.3	Very high	52 Å²	52	48 Å²	48	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-48	173.1	173.7	-94.7	0	0	0	112.3	R654 P764 I765 M1128 W1129 S1134 G1135	R654-Y1132 HydrophobicContact CB-CE1 4.32Å; R654-Y1132 HydrophobicContact CG-CD1 4.32Å; R654-Y1132 HydrophobicContact CG-CE1 3.92Å; R654-Y1132 PolarHBondContact NE-O 3.3Å; R654-Y1132 PolarHBondContact NH2-O 3.06Å; P764-Y1132 HydrophobicContact CB-CD2 4.37Å; P764-Y1132 HydrophobicContact CB-CE1 3.92Å; P764-Y1132 HydrophobicContact CB-CE2 3.66Å; P764-Y1132 VanDerWaalsContact CB-CZ 3.4Å; P764-Y1132 WeakPolarHBondContact CB-OH 3.4Å; P764-Y1132 HydrophobicContact CG-CE1 4.25Å; I765-Y1132 HydrophobicContact CD1-CG 4.26Å; I765-Y1132 HydrophobicContact CG1-CD2 4.42Å; I765-Y1132 HydrophobicContact CG1-CG 4.3Å; M1128-Y1132 PolarHBondContact O-N 3.17Å; M1128-Y1132 VanDerWaalsContact O-N 3.13Å; W1129-Y1132 AromaticContact CE3-CD1 3.93Å; W1129-Y1132 HydrophobicContact CE3-CD1 3.93Å; W1129-Y1132 AromaticContact CH2-CD1 3.8Å; W1129-Y1132 HydrophobicContact CH2-CD1 3.8Å; W1129-Y1132 AromaticContact CH2-CE1 3.78Å; W1129-Y1132 HydrophobicContact CH2-CE1 3.78Å; W1129-Y1132 HydrophobicContact CZ2-CD1 4.45Å; W1129-Y1132 AromaticContact CZ3-CD1 3.5Å; W1129-Y1132 HydrophobicContact CZ3-CD1 3.5Å; W1129-Y1132 VanDerWaalsContact CZ3-CD1 3.5Å; W1129-Y1132 AromaticContact CZ3-CE1 3.75Å; W1129-Y1132 HydrophobicContact CZ3-CE1 3.75Å; W1129-Y1132 HydrophobicContact CZ3-CG 4.49Å; W1129-Y1132 CarbonylContact O-C 3.58Å; W1129-Y1132 WeakPolarHBondContact O-CA 3.29Å; W1129-Y1132 WeakPolarHBondContact O-CB 3.47Å; W1129-Y1132 PolarHBondContact O-N 3.48Å; Y1132-S1134 VanDerWaalsContact C-N 3.28Å; Y1132-S1134 PolarHBondContact O-N 3.12Å; Y1132-G1135 PolarHBondContact O-N 3.11Å
1133	E	95.3	Very high	95	Very high	30 Å²	30	53.3 Å²	53.3	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-54.5	-43.2	176.2	-175.5	173.1	-98.6	0	0	111.1	R654 F655 Q658 W1129 G1135	R654-E1133 PolarHBondContact NE-O 2.88Å; R654-E1133 WeakPolarHBondContact O-CG 3.37Å; F655-E1133 HydrophobicContact CD1-CG 4.14Å; Q658-E1133 WeakPolarHBondContact CB-OE1 3.48Å; Q658-E1133 PolarHBondContact N-OE1 3.47Å; W1129-E1133 PolarHBondContact NE1-OE1 2.95Å; W1129-E1133 WeakPolarHBondContact O-CB 3.46Å; W1129-E1133 PolarHBondContact O-N 3.26Å; E1133-G1135 VanDerWaalsContact C-N 3.28Å; E1133-G1135 PolarHBondContact O-N 3.08Å
1134	S	95.3	Very high	93.3	Very high	67 Å²	67	58.3 Å²	58.3	47%	0.469	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.9	-178.5	-57.2	0	0	0	0	116.1	K1130 Y1132 M1136	K1130-S1134 WeakPolarHBondContact O-CB 3.35Å; K1130-S1134 PolarHBondContact O-N 3.15Å; K1130-S1134 PolarHBondContact O-OG 3.1Å; Y1132-S1134 VanDerWaalsContact C-N 3.28Å; Y1132-S1134 PolarHBondContact O-N 3.12Å; S1134-M1136 VanDerWaalsContact C-N 3.33Å; S1134-M1136 PolarHBondContact O-N 2.91Å
1135	G	94.6	Very high	91.7	Very high	47 Å²	47	59.7 Å²	59.7	49%	0.485	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	0.2	-179	0	0	0	0	0	116	R654 Y1132 E1133	R654-G1135 VanDerWaalsContact NH2-CA 3.32Å; Y1132-G1135 PolarHBondContact O-N 3.11Å; E1133-G1135 VanDerWaalsContact C-N 3.28Å; E1133-G1135 PolarHBondContact O-N 3.08Å
1136	M	96	Very high	89.9	Confident	98 Å²	98	67.9 Å²	67.9	48%	0.483	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-81.6	148.3	-170.8	-61.8	-177.8	-172.6	0	0	112.4	R1131 S1134	R1131-M1136 HydrophobicContact CG-CB 3.61Å; R1131-M1136 HydrophobicContact CG-CG 4.46Å; R1131-M1136 HydrophobicContact CG-SD 4.23Å; R1131-M1136 WeakPolarHBondContact O-CB 3.4Å; R1131-M1136 PolarHBondContact O-N 3.42Å; R1131-M1136 VanDerWaalsContact O-N 3.11Å; S1134-M1136 VanDerWaalsContact C-N 3.33Å; S1134-M1136 PolarHBondContact O-N 2.91Å
1137	P	95.1	Very high	88.3	Confident	98 Å²	98	68.6 Å²	68.6	64%	0.636	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-68.3	147.9	176.1	29.3	-35.4	0	0	0	111.6	R1131 D1139	R1131-P1137 PolarHBondContact NE-O 2.99Å; R1131-P1137 PolarHBondContact NH2-O 3.32Å; P1137-D1139 PolarHBondContact O-N 2.89Å
1138	I	95.6	Very high	86.9	Confident	58 Å²	58	66.3 Å²	66.3	30%	0.297	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-54.9	118.2	171.4	-57	-60.7	0	0	0	109.1	D782 Y783 K802	D782-I1138 HydrophobicContact CB-CD1 4.28Å; D782-I1138 HydrophobicContact CB-CG1 4.32Å; D782-I1138 HydrophobicContact CB-CG2 3.88Å; D782-I1138 WeakPolarHBondContact O-CG2 3.23Å; Y783-I1138 HydrophobicContact CD2-CG2 4.38Å; Y783-I1138 HydrophobicContact CE1-CG2 4.32Å; Y783-I1138 HydrophobicContact CE2-CD1 3.85Å; Y783-I1138 HydrophobicContact CE2-CG2 3.89Å; K802-I1138 HydrophobicContact CB-CG2 4.23Å; K802-I1138 HydrophobicContact CG-CG2 3.83Å
1139	D	96.8	Very high	85.1	Confident	62 Å²	62	75 Å²	75	33%	0.332	40%	0.396	S	S	.	.			trans	-153.4	164.3	-178.2	-158	11.9	0	0	0	110.9	Y783 K802 R1131 P1137 I1141	Y783-D1139 VanDerWaalsContact CE1-O 3.23Å; Y783-D1139 WeakPolarHBondContact CE1-O 3.38Å; Y783-D1139 PolarHBondContact OH-O 3.29Å; K802-D1139 WeakPolarHBondContact CE-OD1 3.42Å; K802-D1139 IonicContact NZ-OD1 3.91Å; K802-D1139 PolarHBondContact NZ-OD1 3.01Å; R1131-D1139 IonicContact NH2-OD2 3.86Å; P1137-D1139 PolarHBondContact O-N 2.89Å; D1139-I1141 PolarHBondContact O-N 3.45Å
1140	H	97	Very high	83.2	Confident	55 Å²	55	77.5 Å²	77.5	26%	0.255	42%	0.423	S	S	.	.			trans	-52.6	136	-174.1	-59.3	-80.2	0	0	0	113	K802 L803 T1142	K802-H1140 VanDerWaalsContact CD-NE2 3.35Å; K802-H1140 WeakPolarHBondContact CD-NE2 3.36Å; K802-H1140 PolarHBondContact NZ-CD2 2.82Å; K802-H1140 PolarHBondContact NZ-NE2 3.05Å; K802-H1140 VanDerWaalsContact NZ-NE2 3.13Å; L803-H1140 PolarHBondContact N-ND1 3.3Å; L803-H1140 WeakPolarHBondContact O-CA 3.49Å; H1140-T1142 HydrophobicContact CB-CG2 4.15Å
1141	I	96.4	Very high	81.4	Confident	12 Å²	12	72.1 Å²	72.1	6%	0.062	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-114.6	92.1	173.6	-57.3	172.2	0	0	0	107.1	Y783 L803 A804 Y805 L1124 Q1127 M1128 D1139	Y783-I1141 HydrophobicContact CE1-CD1 3.82Å; Y783-I1141 HydrophobicContact CE1-CG1 4Å; L803-I1141 PolarHBondContact O-N 3.18Å; A804-I1141 WeakPolarHBondContact CA-O 3.45Å; Y805-I1141 PolarHBondContact N-O 3.39Å; L1124-I1141 HydrophobicContact CD1-CB 4.34Å; L1124-I1141 HydrophobicContact CD1-CG2 3.77Å; Q1127-I1141 HydrophobicContact CB-CD1 4.34Å; Q1127-I1141 HydrophobicContact CB-CG2 4.29Å; M1128-I1141 HydrophobicContact CB-CD1 4.29Å; M1128-I1141 HydrophobicContact CG-CD1 3.59Å; D1139-I1141 PolarHBondContact O-N 3.45Å
1142	T	92.5	Very high	80.7	Confident	27 Å²	27	72.5 Å²	72.5	17%	0.166	41%	0.409	C	S	.	.			trans	-134.3	18.9	-172	62.4	0	0	0	0	112.8	L793 Y805 H1140 T1145	L793-T1142 HydrophobicContact CD1-CG2 4.5Å; L793-T1142 HydrophobicContact CD2-CG2 3.98Å; L793-T1142 HydrophobicContact CG-CG2 4.29Å; Y805-T1142 HydrophobicContact CD1-CG2 4.15Å; Y805-T1142 VanDerWaalsContact CD2-CB 3.42Å; Y805-T1142 HydrophobicContact CD2-CG2 3.42Å; Y805-T1142 VanDerWaalsContact CD2-CG2 3.42Å; Y805-T1142 HydrophobicContact CE1-CG2 4.09Å; Y805-T1142 HydrophobicContact CE2-CG2 3.34Å; Y805-T1142 HydrophobicContact CG-CG2 3.85Å; H1140-T1142 HydrophobicContact CB-CG2 4.15Å; T1142-T1145 PolarHBondContact O-OG1 3.37Å
1143	N	71.2	Confident	79.9	Confident	117 Å²	117	73.5 Å²	73.5	63%	0.626	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	148.8	-178.8	-65.9	-21.2	0	0	0	110.4	T1145	N1143-T1145 VanDerWaalsContact C-N 3.25Å; N1143-T1145 PolarHBondContact O-N 3.01Å
1144	N	60.6	Low	79	Confident	175 Å²	175	75.9 Å²	75.9	94%	0.936	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	12.9	175.6	-50.4	-17.4	0	0	0	116.4
1145	T	65.3	Low	78	Confident	32 Å²	32	76.5 Å²	76.5	20%	0.196	43%	0.433	C	S	.	.			trans	-132.4	110.2	178.4	46.7	0	0	0	0	111.1	Y805 T1142 N1143	Y805-T1145 WeakPolarHBondContact CD2-OG1 3.45Å; T1142-T1145 PolarHBondContact O-OG1 3.37Å; N1143-T1145 VanDerWaalsContact C-N 3.25Å; N1143-T1145 PolarHBondContact O-N 3.01Å
1146	E	60	Low	77	Confident	171 Å²	171	78.3 Å²	78.3	80%	0.799	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-88.4	138.5	171.4	-64.5	-169.2	159.9	0	0	110.7	P1148	E1146-P1148 WeakPolarHBondContact O-CD 3.28Å
1147	T	63.4	Low	75.7	Confident	44 Å²	44	77 Å²	77	27%	0.27	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.3	126.7	166.3	-60.6	0	0	0	0	108.4	A788 P792 H1149 L1151	A788-T1147 WeakPolarHBondContact O-CG2 3.5Å; A788-T1147 PolarHBondContact O-OG1 3.18Å; P792-T1147 HydrophobicContact CB-CG2 3.86Å; P792-T1147 WeakPolarHBondContact CB-OG1 3.41Å; T1147-H1149 PolarHBondContact O-N 3.43Å; T1147-L1151 HydrophobicContact CG2-CB 4.21Å
1148	P	67.2	Low	74.4	Confident	38 Å²	38	75.5 Å²	75.5	25%	0.247	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-55.6	137.6	179.4	-24.4	32.6	0	0	0	112.1	V789 Y1066 E1146 G1150 L1151	V789-P1148 HydrophobicContact CG2-CG 3.91Å; Y1066-P1148 HydrophobicContact CD1-CB 4.17Å; Y1066-P1148 HydrophobicContact CD1-CG 3.63Å; Y1066-P1148 HydrophobicContact CE1-CB 3.45Å; Y1066-P1148 VanDerWaalsContact CE1-CB 3.45Å; Y1066-P1148 HydrophobicContact CE1-CG 3.44Å; Y1066-P1148 VanDerWaalsContact CE1-CG 3.44Å; E1146-P1148 WeakPolarHBondContact O-CD 3.28Å; P1148-G1150 PolarHBondContact O-N 3.44Å; P1148-G1150 VanDerWaalsContact O-N 3.13Å; P1148-L1151 HydrophobicContact CB-CD1 4.12Å; P1148-L1151 HydrophobicContact CG-CD1 4.13Å; P1148-L1151 PolarHBondContact O-N 3.27Å
1149	H	58.3	Low	72.7	Confident	183 Å²	183	76.8 Å²	76.8	85%	0.847	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	118.1	-175.9	-74.9	-39.8	0	0	0	112.3	T1147	T1147-H1149 PolarHBondContact O-N 3.43Å
1150	G	57.5	Low	70.7	Confident	57 Å²	57	78.1 Å²	78.1	59%	0.588	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	18	176.5	0	0	0	0	0	116.2	P1148	P1148-G1150 PolarHBondContact O-N 3.44Å; P1148-G1150 VanDerWaalsContact O-N 3.13Å
1151	L	59.4	Low	68.3	Low	26 Å²	26	80.2 Å²	80.2	14%	0.136	44%	0.443	C	S	.	.			trans	-114.3	0	-178.7	-84.9	-175.3	0	0	0	117.4	V789 R794 P1052 R1059 T1062 Y1066 V1074 T1147 P1148	V789-L1151 HydrophobicContact CG1-CD1 3.97Å; V789-L1151 HydrophobicContact CG2-CD1 4.3Å; R794-L1151 PolarHBondContact NE-O 3.3Å; R794-L1151 PolarHBondContact NH2-O 3.36Å; R794-L1151 PolarHBondContact NH2-OXT 3.42Å; P1052-L1151 HydrophobicContact CG-CD2 3.91Å; R1059-L1151 PolarHBondContact NH1-OXT 2.78Å; R1059-L1151 PolarHBondContact NH2-OXT 2.98Å; T1062-L1151 HydrophobicContact CG2-CD1 4.25Å; T1062-L1151 HydrophobicContact CG2-CD2 4Å; Y1066-L1151 HydrophobicContact CD2-CD1 4.21Å; Y1066-L1151 HydrophobicContact CE1-CD1 4.2Å; Y1066-L1151 HydrophobicContact CE2-CD1 3.62Å; Y1066-L1151 HydrophobicContact CE2-CG 4.43Å; V1074-L1151 HydrophobicContact CG1-CD2 4.28Å; T1147-L1151 HydrophobicContact CG2-CB 4.21Å; P1148-L1151 HydrophobicContact CB-CD1 4.12Å; P1148-L1151 HydrophobicContact CG-CD1 4.13Å; P1148-L1151 PolarHBondContact O-N 3.27Å

Retrieved 1,151 of 1,151 residues in 6540 ms (Link to these results)

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