A0A3Q0KSL5_SCHMA Loading...

Putative kinesin

AlphaFold DB , UniProt , Accession A0A3Q0KSL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,150 aa.

						>A0A3Q0KSL5_SCHMA|A0A3Q0KSL5
MQSHSEDHHQSVNNRGEINPSIVNTHQRLDNEINETSQDQNIEQDKIVHQLIQSNKGSKINQQPSVTQISTAASFFTRAGQKLTITNNSKRKRKILPNDITDINHLSGHNTSTLYRYNQQSKCLTGFSEVIHHHPPPMPPTLLKWSRNGTNNSALNIKTSKVKIILQLRSDHEIDKGSQQKLSYLTVEKRKNQVCLNDPNINGNESSTNLKCTNSHGSKLFAMDGIFTEEDSMAELCAFALTDIIQSVVNGSDGCLISFGTRDSIKSNSMFGDDKQSSGLGIIPSAISWLFRLITEQKERTGARFSVRISAVELCGKEEALRDLLSSVSNTTDAAGANAPGVYLREDPISGTQLENQSELRAPTADKAAFYLDSALSASYQSVTTDSSSVKSLTASSPLDTNSSSPTILWKRNSHLFFTLHIYQYRVERSGISTGVAGGRSRLHLIDLGNTKLPRDVETDNSADTESQNSENKQTSASLNDSMLSLSSMTSVVLALINGNRHHPHRNSKLSQMLREAIGSIGCRTCILIQTSPNVNYYHENLQLLQFASKIQRSRRHRTHERTLVGSTSNNSEINSKVDDQNTSSEDSSSCDSFGLRRAGRLRLNMGLRLAMKRSNGYKGFSTKYRHYGPDNLLSVPASSEKDYTSSSEQSCDTVIYLGRQGLLGHQYDQDDNQKARSRLGKPTSGASMDTGSEASSGSKVKQFEGQQSHDSPVGSSVGVRRGSGGAESGSLGHSGSHTNSGDHCSPHAVHSKERKRSAPRTNVYAWPRNAVKNAIETLSTQKEQWVDGPKSDFHPSNPSHQASQTTTNAVAKPSMIDKETQVDELTKTSAQVIIPPQLSSQEEQHSISANCTKTHQKVPGKDHFEQTADELGKTEQDKQVQNIQKNVSVKPVALERSNITSKSNKMSQMERITDHCPNNGEVQHADTTLSSQCSTCVMAGSLMNQSNLTVETGDLTNVIPIGNNIQVVKPQSLESWTVNNSNNHELNKQTNYILHTSNQNQMTNVNPIMKQSSNECHLTKSFMNHSDTNAPIAKVKPFVKDWIQKHSTLPINTNMHEEFTKTNEHHQLQLMKSDENELCTVINANLNMALGEIGNEGQSIRHHIFHGKTELVKPEDNSCSNISNSKILGNALFGNVALQSKQPFINSLQTSSNFARIAAWVKSVSVETYNTQESGPNQSVESNLIIKPRESSTNICTTTKHDTSAHHQTCYCRNNLENETLFSGERHFIPHQMTRSRVCNYENAIIQSSHYIKIGKLRRGRSVPPNSIQEGCHSEVPHSFDEYTKQDSVTTSERTTAPLPISASSGPLYGKEEKLNICRKSDRDIPSARRPDGSSNPHLHKEPQGNSDNQNIVSCDNKTQYNSDIFNEKLSHQPTGFWASSKKSHFRTNTKPYHEETVGFSPTTTNQYSNTHVKTSPLRKICFSPETKKKSSKLHQENESHLLVCTSPKSSKCQRTHSICSSTESEHSFNKNDVFLDSCTTHKSDYAQNDDSIGTKSNILQTPVGKKSKESRTKTSKGRLSFLTSPLFGKRKEKEVKPSETGVVQEIKHVGHQTLKNFDLRRRPLTKDSDHSNQNKHSSSQVDTSESQTRIRCIRRDKSSSKHIQSEKQHNSSKNTLLSNAHAGNIPLTFNTPIASTKISSMQSSSGHGSECSSSLLTEHNSAWNSKAEPNTSLRCRCKRHHHHHTHQHHHHSGTGQRCHRCLQSSHACRPDHHNNRKCEAVSETRRSADGKRSSESGNSVSGHRKVENKETEEHDNQCNDGKVLLESFETGKLSIGIPSSNVSGSGPRRGGGHASSGYESIVRDSEASSHADSTSGSSAGGIGVVTADVKKNKTIPQKHCTTQEYCEHCHRINQTNVSLDERIKEPQVIQSVNTNSCCKEEQDKHEPSIQSNSYKIQYNLQTVQRLHSSKIDSDVNNQELSCHGFQQVHLTSPSKQPSQQHSTNSKSSATSKTVTSQSLSSSSSTSHRSRSAPPCSEDTSEETTSSPISVRYVSNKPSENLSSQISTNVKNSVPENSSNVSCILPMYAEEVQEMERQIRYEKTYDLLAQQDMLKMELMTAKDRLLIDPSTWSFDLYVAEQMDPDDPSFLEALEKETEILRKRVDACKSHIMLITCFDSQFKSGQLSNVINNTRTNQTINITYTNTDLN
					

Structure Viewer

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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	32.4	Very low	28.9	Very low	205 Å²	205	122.2 Å²	122.2	100%	1.01	64%	0.636	S	S	*	*				0	130.1	0	-50.3	-159.3	79	0	0	106.8
2	Q	25.3	Very low	29	Very low	97 Å²	97	121.8 Å²	121.8	45%	0.453	64%	0.643	S	S	.	*			cis	76.8	153.2	41.2	-164.3	-179.2	6.5	0	0	111.1
3	S	24.9	Very low	29.1	Very low	85 Å²	85	122.2 Å²	122.2	59%	0.594	65%	0.646	S	S	*	*			trans	68	137.9	162.5	57.1	0	0	0	0	121.2
4	H	26.8	Very low	29	Very low	102 Å²	102	122.5 Å²	122.5	47%	0.472	65%	0.648	S	S	.	*			cis	-162.4	158.4	-29.3	-100	-45.5	0	0	0	105.3	Q1140	H4-Q1140 PolarHBondContact CE1-OE1 3.35Å; H4-Q1140 PolarHBondContact NE2-OE1 3.49Å
5	S	28.1	Very low	28.9	Very low	64 Å²	64	130.9 Å²	130.9	45%	0.448	67%	0.667	S	S	.	*				48.9	162.2	65.3	86.3	0	0	0	0	113.6	D7	S5-D7 WeakPolarHBondContact CB-OD2 3.39Å
6	E	30.8	Very low	28.9	Very low	130 Å²	130	126.9 Å²	126.9	61%	0.607	67%	0.669	S	S	*	*			cis	-96	131	11.3	-91.7	71.8	-101.5	0	0	115.5
7	D	29	Very low	29.1	Very low	121 Å²	121	129.3 Å²	129.3	65%	0.647	68%	0.675	S	S	*	*				27.3	169.8	94.5	-69.2	-88.2	0	0	0	122.9	S5	S5-D7 WeakPolarHBondContact CB-OD2 3.39Å
8	H	32.8	Very low	29.4	Very low	123 Å²	123	126.9 Å²	126.9	57%	0.569	66%	0.662	S	S	*	*			trans	95.2	145.2	147.6	-69.2	-22.2	0	0	0	120
9	H	30.8	Very low	29.5	Very low	152 Å²	152	124.9 Å²	124.9	70%	0.704	65%	0.653	S	S	*	*			cis	-131.6	158.4	5.5	-115.5	-52	0	0	0	115.1
10	Q	29.6	Very low	30.1	Very low	155 Å²	155	121.4 Å²	121.4	72%	0.724	64%	0.637	S	S	*	*			trans	-68.9	138	167.1	-65.6	161.3	-44.1	0	0	110.3
11	S	27.7	Very low	30.2	Very low	110 Å²	110	120.2 Å²	120.2	77%	0.769	64%	0.639	S	S	*	*				73.2	148.3	95.9	95.7	0	0	0	0	116.7
12	V	29.5	Very low	30.2	Very low	118 Å²	118	113.3 Å²	113.3	72%	0.715	61%	0.606	S	S	*	*			trans	-178.8	121	141.8	139.7	0	0	0	0	110.1
13	N	30.2	Very low	30.3	Very low	127 Å²	127	113.6 Å²	113.6	68%	0.679	61%	0.614	S	S	*	*			trans	48.2	155.1	144.4	-55.7	-12.8	0	0	0	122.5
14	N	28.2	Very low	30.3	Very low	126 Å²	126	115 Å²	115	67%	0.674	62%	0.615	S	S	*	*			cis	-174.2	151.2	-22.2	-99.5	-25.7	0	0	0	109.7
15	R	27.4	Very low	30.5	Very low	249 Å²	249	114.1 Å²	114.1	94%	0.94	62%	0.617	S	S	*	*			trans	66	152.8	170.5	-55.7	166.6	-177.9	-178.7	-1.5	115.8
16	G	28.9	Very low	30.7	Very low	67 Å²	67	118.1 Å²	118.1	69%	0.691	63%	0.628	S	S	*	*			cis	148.3	131.4	-12.9	0	0	0	0	0	114.4
17	E	31.6	Very low	30.7	Very low	167 Å²	167	116.6 Å²	116.6	78%	0.78	62%	0.621	S	S	*	*			trans	71.7	153.1	158.7	-63.5	177.7	-179.3	0	0	118.1
18	I	35.5	Very low	30.6	Very low	86 Å²	86	117.3 Å²	117.3	44%	0.441	62%	0.615	S	S	.	*			cis	-161.3	148.9	-5	-113.1	163	0	0	0	114	E1116 D1117	I18-E1116 WeakPolarHBondContact O-CG 3.48Å; I18-D1117 WeakPolarHBondContact CA-OD2 2.98Å; I18-D1117 WeakPolarHBondContact CG1-OD2 3.35Å
19	N	31	Very low	30.5	Very low	90 Å²	90	119.3 Å²	119.3	48%	0.481	63%	0.629	S	S	.	*			trans	84.8	135.9	162	-80.4	-5.2	0	0	0	129	E1116 D1117 N1118	N19-E1116 WeakPolarHBondContact O-CB 3.16Å; N19-D1117 PolarHBondContact N-OD2 3.45Å; N19-N1118 PolarHBondContact OD1-ND2 2.77Å
20	P	42	Very low	30.3	Very low	53 Å²	53	116.4 Å²	116.4	34%	0.344	62%	0.618	S	S	.	*			trans	-107.5	176.1	-147.3	4.9	19.8	0	0	0	117.9	E1116 D1117 N1118	P20-E1116 WeakPolarHBondContact CA-O 3.41Å; P20-E1116 VanDerWaalsContact CB-O 3.23Å; P20-E1116 WeakPolarHBondContact CB-O 3.48Å; P20-D1117 WeakPolarHBondContact CB-O 3.29Å; P20-D1117 HydrophobicContact CG-CB 3.95Å; P20-N1118 HydrophobicContact CG-CB 4.45Å
21	S	30.8	Very low	30.4	Very low	98 Å²	98	116 Å²	116	69%	0.685	62%	0.621	S	S	*	*			trans	-176.3	124.5	134	30.7	0	0	0	0	118.5
22	I	32.8	Very low	30.4	Very low	59 Å²	59	118.3 Å²	118.3	30%	0.303	62%	0.62	S	S	.	*				39.7	141.9	128.8	-32.2	168.3	0	0	0	122.3	Q822 D824	I22-Q822 WeakPolarHBondContact CD1-O 3.38Å; I22-Q822 HydrophobicContact CG1-CB 4.4Å; I22-Q822 WeakPolarHBondContact CG1-O 3.45Å; I22-Q822 WeakPolarHBondContact CG2-O 3.48Å; I22-D824 HydrophobicContact CD1-CB 4.05Å
23	V	27.6	Very low	30.5	Very low	103 Å²	103	118.7 Å²	118.7	62%	0.624	62%	0.616	S	S	*	*			trans	120.9	106.4	141.6	-174.9	0	0	0	0	118.8
24	N	26.4	Very low	30.3	Very low	116 Å²	116	118.5 Å²	118.5	62%	0.62	62%	0.615	S	S	*	*			trans	78.4	120.7	144	-77.5	-13.1	0	0	0	125.5
25	T	29.6	Very low	30.3	Very low	82 Å²	82	120.6 Å²	120.6	50%	0.503	62%	0.621	S	S	.	*				102.4	123.8	117.8	52.2	0	0	0	0	124
26	H	32.8	Very low	30.3	Very low	148 Å²	148	115.2 Å²	115.2	69%	0.685	62%	0.616	S	S	*	*			trans	73.2	161.8	139.1	-71.6	-51.5	0	0	0	120.8
27	Q	30.1	Very low	30.3	Very low	98 Å²	98	117.1 Å²	117.1	46%	0.458	62%	0.619	S	S	.	*			cis	174.2	115.9	-39.9	176	88.4	-139.2	0	0	106.2	M816 I817	Q27-M816 PolarHBondContact NE2-O 3.48Å; Q27-M816 VanDerWaalsContact NE2-O 3.09Å; Q27-M816 PolarHBondContact OE1-O 3.12Å; Q27-I817 HydrophobicContact CB-CB 4.25Å; Q27-I817 HydrophobicContact CB-CD1 4.23Å; Q27-I817 HydrophobicContact CB-CG1 4.44Å; Q27-I817 HydrophobicContact CB-CG2 4.08Å; Q27-I817 HydrophobicContact CG-CB 4.45Å; Q27-I817 HydrophobicContact CG-CD1 3.87Å
28	R	28.1	Very low	30.2	Very low	137 Å²	137	117.7 Å²	117.7	52%	0.517	62%	0.622	S	S	.	*			trans	-29.2	146.9	-178.3	-93.2	-159.9	-166	168.1	-172.4	116.9	D30 M816 I817	R28-D30 WeakPolarHBondContact CD-OD1 3.49Å; R28-D30 IonicContact CZ-OD1 2.62Å; R28-D30 IonicContact NE-OD1 3.28Å; R28-D30 IonicContact NH2-OD1 2.72Å; R28-D30 PolarHBondContact NH2-OD1 2.7Å; R28-M816 HydrophobicContact CG-CE 4.31Å; R28-M816 PolarHBondContact NE-SD 3.24Å; R28-M816 PolarHBondContact NH1-SD 3.02Å; R28-I817 HydrophobicContact CB-CD1 3.63Å; R28-I817 HydrophobicContact CG-CD1 3.86Å; R28-I817 HydrophobicContact CG-CG1 4.46Å
29	L	31.1	Very low	29.9	Very low	165 Å²	165	119.6 Å²	119.6	86%	0.864	63%	0.633	S	S	*	*				-119	133.8	108.2	-63.5	169.5	0	0	0	106.1
30	D	26.4	Very low	29.9	Very low	90 Å²	90	123.4 Å²	123.4	48%	0.481	65%	0.648	S	S	.	*			cis	83.6	145.6	47.5	-79.2	-22.4	0	0	0	114.7	R28	R28-D30 WeakPolarHBondContact CD-OD1 3.49Å; R28-D30 IonicContact CZ-OD1 2.62Å; R28-D30 IonicContact NE-OD1 3.28Å; R28-D30 IonicContact NH2-OD1 2.72Å; R28-D30 PolarHBondContact NH2-OD1 2.7Å
31	N	31.4	Very low	29.2	Very low	147 Å²	147	128.4 Å²	128.4	79%	0.786	67%	0.671	S	S	*	*			trans	78.8	141.9	-179.1	-49.6	-26.6	0	0	0	118
32	E	27.5	Very low	29.1	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	68%	0.678	S	S	*	*			cis	-161.4	149.1	-43.2	-123	-165.4	164.1	0	0	111.1
33	I	31.2	Very low	28.8	Very low	125 Å²	125	135.6 Å²	135.6	64%	0.641	70%	0.696	S	S	*	*			trans	49.2	106.8	145.1	-66.5	171.4	0	0	0	120.8
34	N	26.9	Very low	28.7	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	70%	0.7	S	S	*	*				63.1	136.5	128.3	-66.1	28.9	0	0	0	125.5
35	E	26.4	Very low	28.9	Very low	169 Å²	169	137.3 Å²	137.3	79%	0.79	70%	0.697	S	S	*	*			trans	75.9	104.2	133.9	-75.2	168.2	-118.2	0	0	121
36	T	27.8	Very low	28.8	Very low	136 Å²	136	140.5 Å²	140.5	83%	0.834	70%	0.704	S	S	*	*			trans	-129.3	125.9	141.2	55.3	0	0	0	0	110.8
37	S	29.6	Very low	28.7	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	71%	0.706	S	S	*	*			trans	-151	87.9	157.4	-77.3	0	0	0	0	109.2
38	Q	30.2	Very low	28.5	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	72%	0.719	S	S	*	*			trans	64.8	135.9	130.9	-66.5	166.7	-8.9	0	0	117.2
39	D	27.8	Very low	28.5	Very low	125 Å²	125	143.3 Å²	143.3	67%	0.668	73%	0.734	S	S	*	*			cis	-140.9	146.5	44.3	-113.7	-43.9	0	0	0	115.6
40	Q	30.6	Very low	28.4	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	73%	0.734	S	S	*	*			trans	56	138.4	147.4	-72.5	162.1	60.7	0	0	122.1
41	N	27.5	Very low	28.4	Very low	157 Å²	157	146 Å²	146	84%	0.84	74%	0.743	S	S	*	*			trans	-68.8	145.7	-178.7	-57.8	-47.2	0	0	0	113.1
42	I	29	Very low	28.1	Very low	161 Å²	161	145.3 Å²	145.3	83%	0.826	74%	0.738	S	S	*	*				-155.4	118.3	110.4	-98.5	156.2	0	0	0	109.6
43	E	27	Very low	28.3	Very low	148 Å²	148	145.3 Å²	145.3	69%	0.692	74%	0.737	S	S	*	*			trans	57.7	102.6	141.6	-153.3	137.8	-131.1	0	0	122.4
44	Q	26.2	Very low	28	Very low	151 Å²	151	143.6 Å²	143.6	71%	0.706	74%	0.737	S	S	*	*			trans	80.1	145.2	134.8	-76.1	176	53.7	0	0	123.5
45	D	29.4	Very low	27.9	Very low	103 Å²	103	143.6 Å²	143.6	55%	0.551	74%	0.737	S	S	*	*			trans	88	83.4	146.8	-79.1	23.3	0	0	0	125.1
46	K	28.5	Very low	28.2	Very low	150 Å²	150	144.8 Å²	144.8	65%	0.652	74%	0.739	S	S	*	*				83.2	132.6	106.8	-79.3	-176.6	-170.3	84.9	0	121.4
47	I	30.3	Very low	28.2	Very low	143 Å²	143	141.3 Å²	141.3	73%	0.733	73%	0.73	S	S	*	*			trans	70.7	111	142.1	-64.9	167.7	0	0	0	116.1
48	V	25.8	Very low	28	Very low	119 Å²	119	141.3 Å²	141.3	72%	0.721	73%	0.73	S	S	*	*				87	110	52.3	174.1	0	0	0	0	114.3
49	H	28.2	Very low	27.8	Very low	179 Å²	179	141.5 Å²	141.5	83%	0.829	73%	0.728	S	S	*	*			trans	34.9	122.6	154.2	-80.5	-96.1	0	0	0	122.3
50	Q	28.5	Very low	28	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	73%	0.733	S	S	*	*			trans	-136.8	121.9	133.5	-145.9	163.3	14.3	0	0	106.7
51	L	25.9	Very low	27.9	Very low	128 Å²	128	141.9 Å²	141.9	67%	0.67	73%	0.734	S	S	*	*			cis	85.3	116.2	44.1	-158.6	97.3	0	0	0	113.1
52	I	26.7	Very low	27.8	Very low	133 Å²	133	142.5 Å²	142.5	68%	0.682	73%	0.732	S	S	*	*			trans	85.5	149.6	147.6	-105.3	171.2	0	0	0	121.4
53	Q	30.4	Very low	27.5	Very low	158 Å²	158	142.7 Å²	142.7	74%	0.738	73%	0.729	S	S	*	*			trans	61.6	79.5	161	-77	162.5	27.6	0	0	121.9
54	S	24.9	Very low	27.9	Very low	89 Å²	89	140.5 Å²	140.5	62%	0.622	73%	0.728	S	S	*	*				61.4	157.7	99.8	80.4	0	0	0	0	123.3
55	N	25.1	Very low	27.9	Very low	124 Å²	124	136.2 Å²	136.2	66%	0.663	71%	0.714	S	S	*	*			trans	87.8	114	145.6	-87.7	-64.4	0	0	0	120.4
56	K	32.2	Very low	27.9	Very low	195 Å²	195	135.7 Å²	135.7	85%	0.848	72%	0.715	S	S	*	*			trans	73.3	139.5	150.9	-54.9	158	-172.2	172.8	0	115.3
57	G	28.6	Very low	28.2	Very low	62 Å²	62	130.8 Å²	130.8	64%	0.639	70%	0.697	S	S	*	*			cis	-154.2	155.3	-2	0	0	0	0	0	110.9
58	S	24.4	Very low	28.3	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	69%	0.689	S	S	*	*				55.3	116.7	62.5	-80.3	0	0	0	0	112.5
59	K	26.4	Very low	28.7	Very low	184 Å²	184	128.7 Å²	128.7	80%	0.8	68%	0.679	S	S	*	*			cis	-150.3	169.4	3.4	-64.3	109.6	173.4	-171.2	0	109.3
60	I	31.5	Very low	28.9	Very low	151 Å²	151	125.5 Å²	125.5	77%	0.774	68%	0.677	S	S	*	*				177.3	127.1	109.9	-90.2	164.2	0	0	0	111.6
61	N	28.8	Very low	29	Very low	153 Å²	153	121.1 Å²	121.1	82%	0.818	66%	0.663	S	S	*	*			trans	44.8	127.1	154.2	-58.6	1	0	0	0	122.9
62	Q	25.3	Very low	29.1	Very low	169 Å²	169	120.3 Å²	120.3	79%	0.79	67%	0.674	S	S	*	*			trans	-84.8	169.9	169.1	-45.2	160	-3.9	0	0	110.9
63	Q	24.4	Very low	29.2	Very low	166 Å²	166	116.8 Å²	116.8	78%	0.776	67%	0.666	S	S	*	*			trans	69.2	158.4	147.2	-75.8	-159.7	10	0	0	120
64	P	35.4	Very low	29.6	Very low	102 Å²	102	113.6 Å²	113.6	66%	0.662	66%	0.661	S	S	*	*			cis	-143.1	-165.5	-39	40.9	-23.9	0	0	0	114.5
65	S	25	Very low	29.9	Very low	60 Å²	60	118.1 Å²	118.1	42%	0.42	67%	0.669	S	S	.	*			trans	97.8	95.6	165.6	72.3	0	0	0	0	116.7	S1895	S65-S1895 PolarHBondContact O-OG 3.23Å; S65-S1895 VanDerWaalsContact O-OG 3.11Å
66	V	30.3	Very low	30.7	Very low	92 Å²	92	122 Å²	122	56%	0.558	68%	0.681	S	S	*	*			trans	-146.5	91.2	-148	58.3	0	0	0	0	115.7	K1897	V66-K1897 HydrophobicContact CG1-CD 4.44Å; V66-K1897 VanDerWaalsContact O-CD 3.24Å; V66-K1897 WeakPolarHBondContact O-CD 3.47Å; V66-K1897 WeakPolarHBondContact O-CE 3.41Å; V66-K1897 WeakPolarHBondContact O-CG 3.48Å; V66-K1897 PolarHBondContact O-NZ 2.79Å
67	T	33.7	Very low	31	Very low	47 Å²	47	116.5 Å²	116.5	29%	0.288	66%	0.663	S	S	.	*			trans	54.7	145.2	163.3	-150.9	0	0	0	0	124.9	I69 Y1896 K1897	T67-I69 HydrophobicContact CG2-CG1 4.4Å; T67-Y1896 WeakPolarHBondContact OG1-CE2 3.43Å; T67-K1897 PolarHBondContact O-NZ 2.98Å
68	Q	32.6	Very low	31.5	Very low	118 Å²	118	124.7 Å²	124.7	55%	0.551	68%	0.675	S	S	*	*			trans	-109.5	119.7	145.4	-103.9	167.8	-17.6	0	0	105.2	I1898	Q68-I1898 HydrophobicContact CG-CD1 4Å; Q68-I1898 HydrophobicContact CG-CG1 3.67Å
69	I	33.5	Very low	31.8	Very low	101 Å²	101	123.6 Å²	123.6	52%	0.518	67%	0.673	S	S	.	*				72.6	103.8	50.1	-54.5	166.6	0	0	0	109	T67 T71	T67-I69 HydrophobicContact CG2-CG1 4.4Å; I69-T71 WeakPolarHBondContact CG2-OG1 3.14Å
70	S	33.9	Very low	32.2	Very low	112 Å²	112	117 Å²	117	78%	0.783	66%	0.656	S	S	*	*			cis	75.8	174.9	39.2	-131.9	0	0	0	0	111.2
71	T	29.3	Very low	32	Very low	91 Å²	91	118.9 Å²	118.9	56%	0.558	66%	0.662	S	S	*	*			cis	-154.6	134.5	35.3	-32.4	0	0	0	0	114.2	I69 A73	I69-T71 WeakPolarHBondContact CG2-OG1 3.14Å; T71-A73 HydrophobicContact CG2-CB 3.74Å; T71-A73 PolarHBondContact O-N 2.73Å
72	A	28.9	Very low	32.2	Very low	111 Å²	111	120.5 Å²	120.5	92%	0.917	66%	0.662	S	S	*	*	S	Bend	trans	-83	63.9	155.2	0	0	0	0	0	110.5
73	A	29.1	Very low	32.4	Very low	60 Å²	60	118.8 Å²	118.8	50%	0.496	66%	0.657	S	S	.	*			trans	-165.3	133.6	170.1	0	0	0	0	0	110.6	T71	T71-A73 HydrophobicContact CG2-CB 3.74Å; T71-A73 PolarHBondContact O-N 2.73Å
74	S	38.6	Very low	32.7	Very low	91 Å²	91	116.6 Å²	116.6	64%	0.636	66%	0.655	S	S	*	*	S	Bend	trans	58.7	129.7	-169.7	74.4	0	0	0	0	113.8
75	F	30.9	Very low	32.6	Very low	183 Å²	183	118.5 Å²	118.5	80%	0.803	66%	0.658	S	S	*	*	S	Bend	cis	-73.2	-14.3	21.8	-89.7	-104.5	0	0	0	117.7	T77 R78	F75-T77 PolarHBondContact O-N 3.38Å; F75-R78 PolarHBondContact O-N 2.92Å
76	F	42.2	Very low	32.8	Very low	206 Å²	206	121.3 Å²	121.3	90%	0.904	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	47.3	169.3	-75.3	-74	0	0	0	113.3
77	T	37.3	Very low	32.7	Very low	79 Å²	79	124.4 Å²	124.4	49%	0.485	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-152.9	40.4	148.8	-71.9	0	0	0	0	110	F75 A79	F75-T77 PolarHBondContact O-N 3.38Å; T77-A79 PolarHBondContact O-N 3.15Å
78	R	40	Very low	32.3	Very low	235 Å²	235	130.1 Å²	130.1	89%	0.887	72%	0.715	S	S	*	*	S	Bend	trans	-81.1	31.3	142.8	-153	179	-171.3	178.4	4	111.1	F75	F75-R78 PolarHBondContact O-N 2.92Å
79	A	31.2	Very low	32.2	Very low	85 Å²	85	130.3 Å²	130.3	70%	0.702	73%	0.73	S	S	*	*	S	Bend	trans	-166.4	95.5	177.7	0	0	0	0	0	105	T77	T77-A79 PolarHBondContact O-N 3.15Å
80	G	34.1	Very low	31.9	Very low	44 Å²	44	134.6 Å²	134.6	45%	0.454	75%	0.745	S	S	.	*			trans	151.9	-0.2	-177.3	0	0	0	0	0	119.3
81	Q	26.9	Very low	31.6	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	75%	0.75	S	S	*	*	S	Bend	trans	-116.9	29.6	163.4	-80.9	-161.7	-14.6	0	0	114.5
82	K	34.4	Very low	31.5	Very low	187 Å²	187	144.3 Å²	144.3	81%	0.813	76%	0.759	S	S	*	*	S	Bend		-119.9	108.8	107.1	-82.8	-167.3	171.1	-172.1	0	105
83	L	29.2	Very low	31.3	Very low	134 Å²	134	148.9 Å²	148.9	70%	0.702	75%	0.752	S	S	*	*				79.7	98.9	83.8	-76.4	177.7	0	0	0	113.6
84	T	30.2	Very low	31.2	Very low	120 Å²	120	154.7 Å²	154.7	74%	0.736	77%	0.767	S	S	*	*			trans	77	146.3	138.5	-15.4	0	0	0	0	120.9
85	I	33	Very low	30.7	Very low	141 Å²	141	157.3 Å²	157.3	72%	0.723	77%	0.772	S	S	*	*			trans	60.9	94.2	164.7	-44.6	-171.7	0	0	0	115.7
86	T	29.9	Very low	30.5	Very low	120 Å²	120	154.6 Å²	154.6	74%	0.736	77%	0.765	S	S	*	*				76.4	124.6	58.5	73.6	0	0	0	0	117.6
87	N	28.8	Very low	30.3	Very low	157 Å²	157	148.9 Å²	148.9	84%	0.84	75%	0.748	S	S	*	*			trans	63.1	132.2	150.8	-71.7	-15.3	0	0	0	123.5
88	N	24.8	Very low	29.8	Very low	166 Å²	166	150.9 Å²	150.9	89%	0.888	76%	0.756	S	S	*	*			trans	-57.5	134.1	151.6	-72.4	-81.7	0	0	0	111.2
89	S	29.1	Very low	29.3	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	75%	0.751	S	S	*	*			trans	-153.6	164.4	130.4	-160.6	0	0	0	0	111.7
90	K	28.7	Very low	29.3	Very low	190 Å²	190	148.5 Å²	148.5	83%	0.826	75%	0.748	S	S	*	*			trans	-110.8	123.4	-177	-62.8	168.5	-177.5	168.2	0	110.4
91	R	27.1	Very low	28.9	Very low	234 Å²	234	152.1 Å²	152.1	88%	0.883	76%	0.762	S	S	*	*			trans	-177.9	135.8	131.7	-100.4	152.6	-174.1	-160.5	2.1	113.2
92	K	26.6	Very low	28.9	Very low	174 Å²	174	149.1 Å²	149.1	76%	0.757	75%	0.752	S	S	*	*			trans	23.6	137.3	130.4	-62.3	-179.5	179.3	179.9	0	116.9
93	R	25.6	Very low	28.6	Very low	206 Å²	206	146.3 Å²	146.3	78%	0.777	74%	0.744	S	S	*	*			cis	-176.1	163.5	31.4	-137.5	170.4	-176.7	169	-3.8	111.7
94	K	26.2	Very low	28.5	Very low	183 Å²	183	146.6 Å²	146.6	80%	0.796	75%	0.746	S	S	*	*			trans	70.6	159.2	161.9	-66.4	-175	174.8	-172.7	0	117.2
95	I	29.1	Very low	28.4	Very low	145 Å²	145	149.8 Å²	149.8	74%	0.744	75%	0.753	S	S	*	*			cis	-162.3	134.4	-48	-120	167.9	0	0	0	109.8
96	L	25.7	Very low	28.1	Very low	127 Å²	127	150 Å²	150	67%	0.665	76%	0.755	S	S	*	*			trans	49.4	156.2	165.4	-91.5	67.9	0	0	0	121.9
97	P	38.6	Very low	27.8	Very low	85 Å²	85	150.1 Å²	150.1	55%	0.552	76%	0.76	S	S	*	*			trans	-109.7	-174.1	174.6	43.9	-34.6	0	0	0	112.4	F1155	P97-F1155 HydrophobicContact CG-CZ 3.99Å
98	N	26.5	Very low	27.7	Very low	122 Å²	122	145.8 Å²	145.8	65%	0.652	75%	0.753	S	S	*	*				-160.9	-177.1	124.8	-118.3	20.2	0	0	0	112.9
99	D	30.2	Very low	27.8	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	75%	0.745	S	S	*	*			trans	76.3	147.9	173.4	-55.5	-11.2	0	0	0	117.9
100	I	30.3	Very low	27.6	Very low	125 Å²	125	147.4 Å²	147.4	64%	0.641	75%	0.746	S	S	*	*				-167.2	140.3	-80.5	-92.1	162.1	0	0	0	107.7
101	T	25.7	Very low	27.6	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	72%	0.724	S	S	*	*			trans	62.4	151.9	175.2	41.3	0	0	0	0	116.7
102	D	27.7	Very low	27.6	Very low	127 Å²	127	135.8 Å²	135.8	68%	0.679	72%	0.722	S	S	*	*			cis	-145.1	158.2	16.2	-124.9	-20.2	0	0	0	116.7
103	I	27.6	Very low	27.8	Very low	129 Å²	129	133.6 Å²	133.6	66%	0.662	72%	0.724	S	S	*	*			trans	43.5	115.3	149.1	-68.1	156.3	0	0	0	122.5
104	N	26.5	Very low	27.9	Very low	139 Å²	139	129.9 Å²	129.9	74%	0.743	72%	0.718	S	S	*	*			trans	33.4	121.1	138.5	-52.6	-24	0	0	0	122.6
105	H	27.9	Very low	28	Very low	188 Å²	188	130.5 Å²	130.5	87%	0.87	72%	0.717	S	S	*	*				-154.5	153.5	115.8	-131.2	-91	0	0	0	113.2
106	L	26.9	Very low	28	Very low	146 Å²	146	135 Å²	135	76%	0.764	73%	0.725	S	S	*	*			trans	-89.1	127.7	175.2	-75.2	78.5	0	0	0	111.3
107	S	24.9	Very low	28.4	Very low	122 Å²	122	132.9 Å²	132.9	85%	0.853	71%	0.709	S	S	*	*				171.6	148.8	108.5	55.8	0	0	0	0	111.3
108	G	26.1	Very low	27.9	Very low	66 Å²	66	134.8 Å²	134.8	68%	0.68	71%	0.714	S	S	*	*			trans	163.9	31	-174.8	0	0	0	0	0	114.4	N110	G108-N110 PolarHBondContact O-N 3.22Å
109	H	27.3	Very low	28.5	Very low	156 Å²	156	136.4 Å²	136.4	72%	0.722	72%	0.718	S	S	*	*			trans	-72.6	94.1	-174.2	-85.8	-68	0	0	0	112.3	T111	H109-T111 HydrophobicContact CB-CG2 3.8Å; H109-T111 WeakPolarHBondContact ND1-CG2 3.46Å; H109-T111 PolarHBondContact O-N 3.12Å; H109-T111 PolarHBondContact O-OG1 3.2Å
110	N	25.4	Very low	29	Very low	166 Å²	166	136 Å²	136	89%	0.888	71%	0.711	S	S	*	*			trans	-73.5	58.9	156.9	-82.7	-46.3	0	0	0	110.6	G108 S112	G108-N110 PolarHBondContact O-N 3.22Å; N110-S112 VanDerWaalsContact C-N 3.32Å; N110-S112 PolarHBondContact O-N 3.29Å
111	T	28.1	Very low	29.6	Very low	59 Å²	59	134.3 Å²	134.3	36%	0.362	71%	0.71	S	S	.	*			trans	-80.2	69.8	-177.5	36.5	0	0	0	0	112.3	H109	H109-T111 HydrophobicContact CB-CG2 3.8Å; H109-T111 WeakPolarHBondContact ND1-CG2 3.46Å; H109-T111 PolarHBondContact O-N 3.12Å; H109-T111 PolarHBondContact O-OG1 3.2Å
112	S	26.2	Very low	30.9	Very low	121 Å²	121	138.2 Å²	138.2	85%	0.846	72%	0.717	S	S	*	*	S	Bend	trans	-95.9	13.7	172.6	-143.7	0	0	0	0	114	N110	N110-S112 VanDerWaalsContact C-N 3.32Å; N110-S112 PolarHBondContact O-N 3.29Å
113	T	31.2	Very low	32.5	Very low	128 Å²	128	133.9 Å²	133.9	79%	0.785	70%	0.697	S	S	*	*	S	Bend	trans	-135.1	-20.4	-177.4	42.4	0	0	0	0	115.7
114	L	28.6	Very low	34.5	Very low	128 Å²	128	130.8 Å²	130.8	67%	0.67	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-82.9	-25.5	-173.1	-126.5	91.4	0	0	0	114.7	R116	L114-R116 PolarHBondContact O-N 3.16Å; L114-R116 VanDerWaalsContact O-N 3.07Å
115	Y	27.5	Very low	37.4	Very low	196 Å²	196	124.8 Å²	124.8	77%	0.769	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-74.8	4.3	-169.2	-96.7	-80.7	0	0	0	116.3
116	R	30.2	Very low	40.4	Very low	239 Å²	239	117 Å²	117	90%	0.902	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-105.8	6.1	-180	-157.5	173.2	-73.4	-179.7	-2.6	114.5	L114	L114-R116 PolarHBondContact O-N 3.16Å; L114-R116 VanDerWaalsContact O-N 3.07Å
117	Y	33.2	Very low	43.7	Very low	84 Å²	84	110.1 Å²	110.1	33%	0.329	58%	0.584	S	S	.	*	S	Bend	trans	-100.4	-14.7	176.7	-127.3	-98.5	0	0	0	114.2	Q119 K367 F370	Y117-Q119 VanDerWaalsContact C-N 3.26Å; Y117-Q119 PolarHBondContact O-N 3.19Å; Y117-Q119 VanDerWaalsContact O-N 3.1Å; Y117-K367 HydrophobicContact CE2-CD 4.21Å; Y117-K367 WeakPolarHBondContact OH-CD 3.42Å; Y117-F370 HydrophobicContact CE1-CD2 4.28Å
118	N	28.3	Very low	47	Very low	124 Å²	124	104.7 Å²	104.7	66%	0.663	55%	0.545	S	S	*	.			trans	-83	27.2	-174	-79.2	-1.9	0	0	0	115.7	Q120	N118-Q120 PolarHBondContact O-N 3.28Å
119	Q	37.8	Very low	50.2	Low	157 Å²	157	105.4 Å²	105.4	73%	0.734	53%	0.531	S	S	*	.			trans	-85.3	59.9	153.6	-75.1	-165.5	5	0	0	109.5	Y117 S121	Y117-Q119 VanDerWaalsContact C-N 3.26Å; Y117-Q119 PolarHBondContact O-N 3.19Å; Y117-Q119 VanDerWaalsContact O-N 3.1Å; Q119-S121 VanDerWaalsContact C-N 3.25Å; Q119-S121 PolarHBondContact O-N 3.49Å
120	Q	41.2	Very low	53.4	Low	135 Å²	135	98.7 Å²	98.7	63%	0.631	50%	0.501	S	S	*	.			trans	-74.2	83.3	166.9	-75	-176.2	-15.5	0	0	109	N118 K122	N118-Q120 PolarHBondContact O-N 3.28Å; Q120-K122 PolarHBondContact O-N 3.16Å
121	S	43.6	Very low	56.7	Low	89 Å²	89	91.1 Å²	91.1	62%	0.622	46%	0.46	S	S	*	.			trans	-53.4	130.6	141	47.3	0	0	0	0	106.9	Q119 C123	Q119-S121 VanDerWaalsContact C-N 3.25Å; Q119-S121 PolarHBondContact O-N 3.49Å; S121-C123 VanDerWaalsContact C-N 3.32Å; S121-C123 PolarHBondContact O-N 2.91Å
122	K	53	Low	59.9	Low	204 Å²	204	93.6 Å²	93.6	89%	0.887	47%	0.468	S	S	*	.			trans	-67.2	92.3	-177.6	-72.9	-176.4	177.6	179.8	0	109.4	Q120	Q120-K122 PolarHBondContact O-N 3.16Å
123	C	60.1	Low	63.1	Low	36 Å²	36	92.8 Å²	92.8	24%	0.243	45%	0.45	C	S	.	.			trans	-61.7	145.8	169.8	-68.9	0	0	0	0	109.7	S121 T125 D373 S377	S121-C123 VanDerWaalsContact C-N 3.32Å; S121-C123 PolarHBondContact O-N 2.91Å; C123-T125 WeakPolarHBondContact CB-O 3.19Å; C123-T125 PolarHBondContact O-N 3.38Å; C123-D373 HydrophobicContact CB-CB 3.98Å; C123-S377 VanDerWaalsContact CA-OG 3.24Å; C123-S377 WeakPolarHBondContact CA-OG 3.42Å; C123-S377 WeakPolarHBondContact CB-OG 3.34Å
124	L	71.6	Confident	66	Low	64 Å²	64	91 Å²	91	34%	0.335	43%	0.433	S	S	.	.	S	Bend	trans	-71.5	-10.8	177.8	-73.8	103.5	0	0	0	113.2	S377 Y380	L124-S377 PolarHBondContact N-OG 3.29Å; L124-Y380 HydrophobicContact CD1-CD1 3.74Å; L124-Y380 HydrophobicContact CD1-CD2 4.45Å; L124-Y380 HydrophobicContact CD1-CE1 4.44Å; L124-Y380 HydrophobicContact CD1-CG 3.75Å; L124-Y380 HydrophobicContact CD2-CD1 4.06Å; L124-Y380 HydrophobicContact CD2-CD2 3.92Å; L124-Y380 HydrophobicContact CD2-CE1 4.05Å; L124-Y380 HydrophobicContact CD2-CE2 3.91Å; L124-Y380 HydrophobicContact CD2-CG 4Å
125	T	86.1	Confident	69.1	Low	13 Å²	13	88.3 Å²	88.3	8%	0.08	42%	0.423	C	S	.	.			trans	-135.6	153	177.1	55.7	0	0	0	0	110.7	C123 F127 D274 D373 L376 I408	C123-T125 WeakPolarHBondContact CB-O 3.19Å; C123-T125 PolarHBondContact O-N 3.38Å; T125-F127 HydrophobicContact CG2-CD2 4.32Å; T125-F127 HydrophobicContact CG2-CE2 3.73Å; T125-F127 HydrophobicContact CG2-CZ 4.28Å; T125-D274 VanDerWaalsContact CA-OD2 3.25Å; T125-D274 WeakPolarHBondContact CA-OD2 3.42Å; T125-D373 VanDerWaalsContact C-OD1 3.27Å; T125-D373 WeakPolarHBondContact CB-OD1 3.21Å; T125-D373 VanDerWaalsContact O-OD1 3.11Å; T125-D373 PolarHBondContact OG1-OD1 2.87Å; T125-L376 HydrophobicContact CG2-CD1 4Å; T125-I408 HydrophobicContact CG2-CD1 3.95Å
126	G	90.8	Very high	72.3	Confident	24 Å²	24	79.2 Å²	79.2	25%	0.247	39%	0.388	C	S	.	.			trans	-112.7	33.4	178.9	0	0	0	0	0	114.6	S128 E129 V130 D274	G126-S128 PolarHBondContact O-N 3.41Å; G126-S128 VanDerWaalsContact O-N 3.15Å; G126-E129 PolarHBondContact O-N 2.97Å; G126-V130 PolarHBondContact O-N 3.23Å; G126-V130 VanDerWaalsContact O-N 3.13Å; G126-D274 PolarHBondContact N-OD2 2.68Å
127	F	95.7	Very high	75.2	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.009	37%	0.374	C	S	.	.	H	α-helix	trans	-58.1	-31.5	-174.7	-66.8	-59.4	0	0	0	113.2	T125 I131 F271 D274 L280 P284 A369 L372 D373 L376	T125-F127 HydrophobicContact CG2-CD2 4.32Å; T125-F127 HydrophobicContact CG2-CE2 3.73Å; T125-F127 HydrophobicContact CG2-CZ 4.28Å; F127-I131 VanDerWaalsContact O-CB 3.31Å; F127-I131 WeakPolarHBondContact O-CB 3.4Å; F127-I131 WeakPolarHBondContact O-CG1 3.39Å; F127-I131 PolarHBondContact O-N 3.44Å; F127-F271 WeakPolarHBondContact CE1-O 3.35Å; F127-F271 HydrophobicContact CE2-CB 4.16Å; F127-F271 HydrophobicContact CZ-CB 3.94Å; F127-F271 VanDerWaalsContact CZ-O 3.32Å; F127-F271 WeakPolarHBondContact CZ-O 3.39Å; F127-D274 HydrophobicContact CD1-CB 3.84Å; F127-D274 HydrophobicContact CE1-CB 3.69Å; F127-D274 HydrophobicContact CZ-CB 4.23Å; F127-L280 HydrophobicContact CD1-CD2 3.55Å; F127-L280 HydrophobicContact CE1-CD2 3.81Å; F127-P284 HydrophobicContact CD1-CB 4.01Å; F127-P284 HydrophobicContact CD1-CG 3.96Å; F127-P284 HydrophobicContact CE1-CG 3.97Å; F127-P284 HydrophobicContact CG-CB 4.38Å; F127-A369 HydrophobicContact CB-CB 4.29Å; F127-L372 HydrophobicContact CD2-CD2 3.8Å; F127-L372 HydrophobicContact CD2-CG 4.34Å; F127-L372 HydrophobicContact CE2-CD2 4.32Å; F127-L372 HydrophobicContact CG-CD2 4.31Å; F127-D373 WeakPolarHBondContact CB-OD1 3.38Å; F127-D373 VanDerWaalsContact CD2-OD1 3.24Å; F127-D373 WeakPolarHBondContact CD2-OD1 3.29Å; F127-D373 PolarHBondContact N-OD1 2.9Å; F127-D373 PolarHBondContact N-OD2 3.07Å; F127-D373 VanDerWaalsContact N-OD2 3.15Å; F127-L376 HydrophobicContact CD2-CD1 4.45Å; F127-L376 HydrophobicContact CE2-CD1 3.88Å
128	S	95.1	Very high	77.9	Confident	7 Å²	7	68.9 Å²	68.9	5%	0.049	36%	0.361	C	S	.	.	H	α-helix	trans	-52.7	-52.2	169.5	-178.9	0	0	0	0	112.4	G126 H132 D366 D373	G126-S128 PolarHBondContact O-N 3.41Å; G126-S128 VanDerWaalsContact O-N 3.15Å; S128-H132 VanDerWaalsContact O-CB 3.32Å; S128-H132 WeakPolarHBondContact O-CB 3.5Å; S128-H132 PolarHBondContact O-N 3.18Å; S128-D366 PolarHBondContact OG-O 3.16Å; S128-D373 WeakPolarHBondContact CB-OD2 3.44Å; S128-D373 PolarHBondContact N-OD2 2.71Å
129	E	94	Very high	80.9	Confident	81 Å²	81	63.5 Å²	63.5	38%	0.379	33%	0.333	S	S	.	.	H	α-helix	trans	-68.5	-43.5	-178.1	-59.2	-54.7	133.9	0	0	111.3	G126 I131 H132 H133	G126-E129 PolarHBondContact O-N 2.97Å; E129-I131 PolarHBondContact O-N 2.72Å; E129-H132 PolarHBondContact O-N 3.31Å; E129-H133 PolarHBondContact O-CD2 3.06Å; E129-H133 PolarHBondContact O-N 3.44Å; E129-H133 IonicContact OE2-CD2 3.5Å; E129-H133 IonicContact OE2-NE2 2.69Å
130	V	93.6	Very high	83.2	Confident	15 Å²	15	60.3 Å²	60.3	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-41.4	179	-170.3	0	0	0	0	111.2	G126 H132 H134 D274 L280	G126-V130 PolarHBondContact O-N 3.23Å; G126-V130 VanDerWaalsContact O-N 3.13Å; V130-H132 VanDerWaalsContact C-N 3.35Å; V130-H134 HydrophobicContact CG1-CB 4.47Å; V130-H134 CarbonylContact O-C 3.54Å; V130-H134 VanDerWaalsContact O-CA 3.24Å; V130-H134 WeakPolarHBondContact O-CA 3.48Å; V130-H134 PolarHBondContact O-N 3.14Å; V130-D274 HydrophobicContact CG2-CB 4.28Å; V130-D274 WeakPolarHBondContact CG2-O 3.33Å; V130-L280 HydrophobicContact CB-CD2 4.34Å; V130-L280 HydrophobicContact CG1-CD1 3.97Å; V130-L280 HydrophobicContact CG1-CD2 4Å; V130-L280 HydrophobicContact CG1-CG 4.23Å
131	I	95.2	Very high	85.3	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-71.3	-31.1	178.4	-75.7	167.2	0	0	0	111.9	F127 E129 P135 L280 P284 I287 A365 A369	F127-I131 VanDerWaalsContact O-CB 3.31Å; F127-I131 WeakPolarHBondContact O-CB 3.4Å; F127-I131 WeakPolarHBondContact O-CG1 3.39Å; F127-I131 PolarHBondContact O-N 3.44Å; E129-I131 PolarHBondContact O-N 2.72Å; I131-P135 WeakPolarHBondContact O-CB 3.48Å; I131-L280 HydrophobicContact CG1-CD1 4.45Å; I131-P284 HydrophobicContact CD1-CB 3.66Å; I131-P284 WeakPolarHBondContact CD1-O 3.41Å; I131-I287 HydrophobicContact CD1-CB 4.47Å; I131-I287 HydrophobicContact CD1-CG2 4.4Å; I131-A365 HydrophobicContact CG2-CB 3.73Å; I131-A369 HydrophobicContact CB-CB 4.46Å; I131-A369 HydrophobicContact CD1-CB 3.64Å
132	H	94.4	Very high	87.3	Confident	112 Å²	112	53.3 Å²	53.3	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-50.8	174.6	-177.6	-114	0	0	0	112.1	S128 E129 V130 D366	S128-H132 VanDerWaalsContact O-CB 3.32Å; S128-H132 WeakPolarHBondContact O-CB 3.5Å; S128-H132 PolarHBondContact O-N 3.18Å; E129-H132 PolarHBondContact O-N 3.31Å; V130-H132 VanDerWaalsContact C-N 3.35Å; H132-D366 HydrophobicContact CB-CB 4.26Å
133	H	93.6	Very high	88.4	Confident	103 Å²	103	46.6 Å²	46.6	48%	0.477	26%	0.262	S	S	.	.	H	α-helix	trans	-88.2	-37.7	-173.6	-71.5	-77.7	0	0	0	114	E129	E129-H133 PolarHBondContact O-CD2 3.06Å; E129-H133 PolarHBondContact O-N 3.44Å; E129-H133 IonicContact OE2-CD2 3.5Å; E129-H133 IonicContact OE2-NE2 2.69Å
134	H	93.2	Very high	88.8	Confident	91 Å²	91	52 Å²	52	42%	0.421	28%	0.282	S	S	.	.	S	Bend	trans	-135	59.7	-171.1	-56.8	115.4	0	0	0	112.2	V130 S277 S1148	V130-H134 HydrophobicContact CG1-CB 4.47Å; V130-H134 CarbonylContact O-C 3.54Å; V130-H134 VanDerWaalsContact O-CA 3.24Å; V130-H134 WeakPolarHBondContact O-CA 3.48Å; V130-H134 PolarHBondContact O-N 3.14Å; H134-S277 WeakPolarHBondContact O-CB 3.09Å; H134-S1148 PolarHBondContact CE1-OG 2.94Å
135	P	93	Very high	88	Confident	71 Å²	71	55.2 Å²	55.2	46%	0.461	29%	0.289	S	S	.	.			trans	-60.9	135.5	-177.6	23.2	-33.5	0	0	0	112.6	I131	I131-P135 WeakPolarHBondContact O-CB 3.48Å
136	P	94	Very high	86.4	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.032	29%	0.288	C	S	.	.			trans	-62.7	139.7	-172.6	20.8	-30.9	0	0	0	112.6	M138 L280 W289	P136-M138 PolarHBondContact O-N 3.24Å; P136-L280 HydrophobicContact CB-CD1 4.03Å; P136-L280 HydrophobicContact CG-CD1 3.72Å; P136-W289 PolarHBondContact O-NE1 3.39Å
137	P	92	Very high	84.4	Confident	94 Å²	94	62.2 Å²	62.2	61%	0.61	31%	0.308	S	S	*	.			trans	-65.3	108.1	-174.1	25.9	-34.4	0	0	0	112.1
138	M	90	Very high	81.8	Confident	13 Å²	13	67.1 Å²	67.1	6%	0.064	33%	0.334	C	S	.	.			trans	-62.9	132.6	-177.7	-166.8	172.2	106.7	0	0	112.5	P136 L142 L143 W289 R292 L293	P136-M138 PolarHBondContact O-N 3.24Å; M138-L142 HydrophobicContact CE-CB 4.1Å; M138-L142 HydrophobicContact CE-CD2 3.76Å; M138-L142 HydrophobicContact CE-CG 4.23Å; M138-L142 HydrophobicContact CG-CB 4.27Å; M138-L142 HydrophobicContact CG-CD2 3.71Å; M138-L142 HydrophobicContact SD-CD2 3.61Å; M138-L143 HydrophobicContact CE-CD2 3.46Å; M138-L143 VanDerWaalsContact CE-CD2 3.46Å; M138-L143 HydrophobicContact CE-CG 3.74Å; M138-W289 HydrophobicContact CB-CG 4.13Å; M138-W289 HydrophobicContact CG-CB 4.01Å; M138-W289 HydrophobicContact CG-CD2 4.26Å; M138-W289 HydrophobicContact CG-CG 3.75Å; M138-W289 HydrophobicContact SD-CB 4.15Å; M138-W289 HydrophobicContact SD-CG 4.45Å; M138-R292 HydrophobicContact SD-CB 3.96Å; M138-R292 PolarHBondContact SD-NE 3.47Å; M138-R292 VanDerWaalsContact SD-NE 3.37Å; M138-L293 HydrophobicContact CE-CD1 4.16Å
139	P	91.3	Very high	79.2	Confident	10 Å²	10	69.9 Å²	69.9	7%	0.065	36%	0.364	C	S	.	.			trans	-57.2	139.1	-175.3	-28.9	35.6	0	0	0	113.9	T141 L142 A238 W289	P139-T141 VanDerWaalsContact CB-OG1 3.26Å; P139-T141 WeakPolarHBondContact CB-OG1 3.32Å; P139-T141 PolarHBondContact O-N 2.99Å; P139-T141 VanDerWaalsContact O-N 3.09Å; P139-L142 PolarHBondContact O-N 3.2Å; P139-A238 HydrophobicContact CB-CB 4.15Å; P139-A238 HydrophobicContact CG-CB 3.46Å; P139-A238 VanDerWaalsContact CG-CB 3.46Å; P139-W289 HydrophobicContact CG-CE3 4.18Å; P139-W289 HydrophobicContact CG-CH2 3.67Å; P139-W289 HydrophobicContact CG-CZ2 4.17Å; P139-W289 HydrophobicContact CG-CZ3 3.68Å
140	P	86.3	Confident	76.2	Confident	90 Å²	90	72.2 Å²	72.2	58%	0.584	38%	0.383	S	S	*	.	H	α-helix	trans	-59	-22.7	174.3	-25.6	34.9	0	0	0	114	K144	P140-K144 VanDerWaalsContact O-CG 3.29Å; P140-K144 WeakPolarHBondContact O-CG 3.29Å; P140-K144 PolarHBondContact O-N 2.82Å
141	T	84.2	Confident	73.1	Confident	76 Å²	76	78.1 Å²	78.1	47%	0.466	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-43.4	172.9	45.3	0	0	0	0	112.3	P139 L143 K144 T242	P139-T141 VanDerWaalsContact CB-OG1 3.26Å; P139-T141 WeakPolarHBondContact CB-OG1 3.32Å; P139-T141 PolarHBondContact O-N 2.99Å; P139-T141 VanDerWaalsContact O-N 3.09Å; T141-L143 PolarHBondContact O-N 3.35Å; T141-K144 PolarHBondContact O-N 3.2Å; T141-T242 PolarHBondContact OG1-OG1 3.05Å
142	L	87	Confident	70.1	Confident	1 Å²	1	81.9 Å²	81.9	1%	0.005	44%	0.435	C	S	.	.	H	α-helix	trans	-66	-38.9	-177.8	-154.4	79	0	0	0	111.6	M138 P139 T242 I245 W289 L293	M138-L142 HydrophobicContact CE-CB 4.1Å; M138-L142 HydrophobicContact CE-CD2 3.76Å; M138-L142 HydrophobicContact CE-CG 4.23Å; M138-L142 HydrophobicContact CG-CB 4.27Å; M138-L142 HydrophobicContact CG-CD2 3.71Å; M138-L142 HydrophobicContact SD-CD2 3.61Å; P139-L142 PolarHBondContact O-N 3.2Å; L142-T242 HydrophobicContact CD1-CG2 4.12Å; L142-T242 VanDerWaalsContact CD1-O 3.22Å; L142-T242 WeakPolarHBondContact CD1-O 3.43Å; L142-I245 HydrophobicContact CD1-CB 4.37Å; L142-I245 HydrophobicContact CD2-CG2 4.29Å; L142-W289 HydrophobicContact CD2-CB 4.16Å; L142-L293 HydrophobicContact CD1-CD2 4.5Å; L142-L293 HydrophobicContact CD2-CB 4.42Å; L142-L293 HydrophobicContact CD2-CD1 4.33Å; L142-L293 HydrophobicContact CD2-CD2 4.16Å; L142-L293 HydrophobicContact CG-CD1 4.24Å; L142-L293 HydrophobicContact CG-CD2 4.15Å
143	L	75.4	Confident	67.2	Low	63 Å²	63	81.2 Å²	81.2	33%	0.33	44%	0.443	S	S	.	.	H	α-helix	trans	-67.3	-45.5	175.9	-72.4	175.2	0	0	0	112.9	M138 T141 W145 S146 E296	M138-L143 HydrophobicContact CE-CD2 3.46Å; M138-L143 VanDerWaalsContact CE-CD2 3.46Å; M138-L143 HydrophobicContact CE-CG 3.74Å; T141-L143 PolarHBondContact O-N 3.35Å; L143-W145 VanDerWaalsContact C-N 3.25Å; L143-W145 PolarHBondContact O-N 2.8Å; L143-S146 WeakPolarHBondContact O-CB 3.2Å; L143-S146 PolarHBondContact O-N 3.2Å; L143-S146 VanDerWaalsContact O-N 3.15Å; L143-E296 VanDerWaalsContact CD2-OE2 3.27Å; L143-E296 WeakPolarHBondContact CD2-OE2 3.44Å
144	K	68.7	Low	64.3	Low	151 Å²	151	80.4 Å²	80.4	66%	0.657	45%	0.454	S	S	*	.	H	α-helix	trans	-63	-29.3	-170.7	-78.9	174.7	-179.8	-178.7	0	113.4	P140 T141	P140-K144 VanDerWaalsContact O-CG 3.29Å; P140-K144 WeakPolarHBondContact O-CG 3.29Å; P140-K144 PolarHBondContact O-N 2.82Å; T141-K144 PolarHBondContact O-N 3.2Å
145	W	54.4	Low	61.6	Low	131 Å²	131	79.9 Å²	79.9	50%	0.496	45%	0.454	S	S	.	.	H	α-helix	trans	-82.2	-18.8	178.1	-88.5	46.5	0	0	0	114.6	L143 R147 L155 I157 Q246	L143-W145 VanDerWaalsContact C-N 3.25Å; L143-W145 PolarHBondContact O-N 2.8Å; W145-R147 VanDerWaalsContact C-N 3.31Å; W145-R147 PolarHBondContact O-N 3.1Å; W145-L155 HydrophobicContact CZ2-CB 4.38Å; W145-L155 HydrophobicContact CZ2-CD2 3.93Å; W145-I157 HydrophobicContact CZ2-CD1 4.5Å; W145-Q246 VanDerWaalsContact CE3-OE1 3.32Å
146	S	52.8	Low	58.9	Low	6 Å²	6	82.6 Å²	82.6	4%	0.042	46%	0.464	C	S	.	.	H	α-helix	trans	-63.9	-34.4	177.7	171.8	0	0	0	0	112.8	L143 E296 R300	L143-S146 WeakPolarHBondContact O-CB 3.2Å; L143-S146 PolarHBondContact O-N 3.2Å; L143-S146 VanDerWaalsContact O-N 3.15Å; S146-E296 WeakPolarHBondContact CB-OE1 3.49Å; S146-E296 PolarHBondContact OG-OE1 2.77Å; S146-R300 PolarHBondContact O-NE 2.86Å
147	R	48.1	Very low	56.3	Low	177 Å²	177	87 Å²	87	67%	0.668	49%	0.486	S	S	*	.	H	α-helix	trans	-84.4	-31.6	-169.9	-66.2	-174.9	172.9	-168.2	-3.7	115.2	W145 G149	W145-R147 VanDerWaalsContact C-N 3.31Å; W145-R147 PolarHBondContact O-N 3.1Å; R147-G149 PolarHBondContact O-N 2.69Å
148	N	41.8	Very low	53.8	Low	106 Å²	106	91.2 Å²	91.2	57%	0.567	50%	0.495	S	S	*	.			trans	-90.9	59.1	-168.2	-74.4	7.6	0	0	0	113.8	T150	N148-T150 VanDerWaalsContact C-N 3.34Å; N148-T150 PolarHBondContact O-N 2.83Å; N148-T150 VanDerWaalsContact O-N 3.14Å
149	G	39.9	Very low	51.7	Low	65 Å²	65	93.1 Å²	93.1	67%	0.67	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	6.2	-166.5	0	0	0	0	0	119.3	R147	R147-G149 PolarHBondContact O-N 2.69Å
150	T	31.3	Very low	49.8	Very low	129 Å²	129	94.3 Å²	94.3	79%	0.791	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-34.4	-169.1	46.1	0	0	0	0	117.9	N148	N148-T150 VanDerWaalsContact C-N 3.34Å; N148-T150 PolarHBondContact O-N 2.83Å; N148-T150 VanDerWaalsContact O-N 3.14Å
151	N	28.2	Very low	49.2	Very low	139 Å²	139	95 Å²	95	74%	0.743	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-6.8	-166.2	-76	-17.6	0	0	0	116.7	S153	N151-S153 PolarHBondContact O-N 3.23Å
152	N	33.2	Very low	49.4	Very low	87 Å²	87	91.7 Å²	91.7	47%	0.465	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-92.9	51.2	-172.2	-88.2	-6.5	0	0	0	115.5	A154 L155	N152-A154 PolarHBondContact O-N 2.96Å; N152-L155 PolarHBondContact O-N 2.9Å
153	S	33.7	Very low	49.7	Very low	98 Å²	98	93 Å²	93	69%	0.685	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-62.8	-23.5	162.5	63.8	0	0	0	0	112.2	N151 L155 N156	N151-S153 PolarHBondContact O-N 3.23Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 2.71Å; S153-N156 WeakPolarHBondContact O-CB 3.46Å; S153-N156 PolarHBondContact O-N 2.89Å; S153-N156 PolarHBondContact O-ND2 2.85Å; S153-N156 VanDerWaalsContact O-ND2 3.16Å
154	A	31.9	Very low	50.6	Low	85 Å²	85	90.1 Å²	90.1	70%	0.702	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-70	-20.1	176	0	0	0	0	0	114.8	N152	N152-A154 PolarHBondContact O-N 2.96Å
155	L	36.6	Very low	51.9	Low	81 Å²	81	83 Å²	83	42%	0.424	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-104.3	30.7	168	-104.3	93.4	0	0	0	113.3	W145 N152 S153 I157	W145-L155 HydrophobicContact CZ2-CB 4.38Å; W145-L155 HydrophobicContact CZ2-CD2 3.93Å; N152-L155 PolarHBondContact O-N 2.9Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 2.71Å; L155-I157 HydrophobicContact CD2-CD1 4.22Å; L155-I157 HydrophobicContact CD2-CG1 4.12Å; L155-I157 HydrophobicContact CG-CG1 4.14Å; L155-I157 PolarHBondContact O-N 3.24Å
156	N	35.1	Very low	53.8	Low	128 Å²	128	76.7 Å²	76.7	68%	0.684	43%	0.426	S	S	*	.			trans	-61.7	75.5	133.8	-80.1	-78.5	0	0	0	108.6	S153 K158	S153-N156 WeakPolarHBondContact O-CB 3.46Å; S153-N156 PolarHBondContact O-N 2.89Å; S153-N156 PolarHBondContact O-ND2 2.85Å; S153-N156 VanDerWaalsContact O-ND2 3.16Å; N156-K158 PolarHBondContact O-N 2.85Å
157	I	40	Very low	55.7	Low	96 Å²	96	76.9 Å²	76.9	49%	0.492	43%	0.426	S	S	.	.			trans	-53.5	133.5	162	-46.6	176.2	0	0	0	105.2	W145 L155 T159	W145-I157 HydrophobicContact CZ2-CD1 4.5Å; L155-I157 HydrophobicContact CD2-CD1 4.22Å; L155-I157 HydrophobicContact CD2-CG1 4.12Å; L155-I157 HydrophobicContact CG-CG1 4.14Å; L155-I157 PolarHBondContact O-N 3.24Å; I157-T159 HydrophobicContact CB-CG2 4.03Å; I157-T159 HydrophobicContact CG2-CG2 3.76Å; I157-T159 PolarHBondContact O-N 2.79Å; I157-T159 PolarHBondContact O-OG1 2.86Å
158	K	41	Very low	57.7	Low	184 Å²	184	68.9 Å²	68.9	80%	0.8	40%	0.396	S	S	*	.			trans	-69.3	36	178.5	-63.1	177.2	-178.5	174	0	112.9	N156 S160	N156-K158 PolarHBondContact O-N 2.85Å; K158-S160 PolarHBondContact O-N 3.01Å
159	T	44.5	Very low	59.7	Low	52 Å²	52	66.7 Å²	66.7	32%	0.319	38%	0.38	S	S	.	.			trans	-62.4	82.3	167	53.1	0	0	0	0	110.2	I157 K161 R524	I157-T159 HydrophobicContact CB-CG2 4.03Å; I157-T159 HydrophobicContact CG2-CG2 3.76Å; I157-T159 PolarHBondContact O-N 2.79Å; I157-T159 PolarHBondContact O-OG1 2.86Å; T159-K161 PolarHBondContact O-N 2.86Å; T159-R524 PolarHBondContact O-NH1 3.06Å; T159-R524 PolarHBondContact OG1-NH1 2.77Å; T159-R524 VanDerWaalsContact OG1-NH1 3.1Å; T159-R524 PolarHBondContact OG1-NH2 3.5Å
160	S	51.3	Low	61.3	Low	36 Å²	36	65.7 Å²	65.7	25%	0.252	36%	0.363	S	S	.	.				7.2	116.5	122.8	38.5	0	0	0	0	114.7	K158 V162 R555	K158-S160 PolarHBondContact O-N 3.01Å; S160-V162 PolarHBondContact O-N 3.04Å; S160-R555 VanDerWaalsContact CB-NE 3.27Å; S160-R555 PolarHBondContact OG-NE 3.26Å; S160-R555 PolarHBondContact OG-NH2 2.74Å; S160-R555 VanDerWaalsContact OG-NH2 3.09Å
161	K	73.9	Confident	62.9	Low	104 Å²	104	61.1 Å²	61.1	45%	0.452	33%	0.334	S	S	.	.	S	Bend	trans	-51.7	-22.9	-172.8	-58.3	-170.2	179.1	-169.9	0	116.1	T159 I521 T525	T159-K161 PolarHBondContact O-N 2.86Å; K161-I521 PolarHBondContact NZ-O 3.42Å; K161-T525 PolarHBondContact O-N 3.29Å
162	V	89.6	Confident	64	Low	7 Å²	7	61 Å²	61	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.9	-178.9	-173.5	0	0	0	0	109.3	S160 I497 T525 I527 I551 R555	S160-V162 PolarHBondContact O-N 3.04Å; V162-I497 HydrophobicContact CG1-CD1 4.04Å; V162-I497 HydrophobicContact CG2-CB 4.23Å; V162-I497 HydrophobicContact CG2-CD1 3.91Å; V162-I497 HydrophobicContact CG2-CG1 3.75Å; V162-I497 HydrophobicContact CG2-CG2 3.57Å; V162-T525 CarbonylContact C-O 3.49Å; V162-T525 VanDerWaalsContact CA-O 3.27Å; V162-T525 WeakPolarHBondContact CA-O 3.41Å; V162-T525 HydrophobicContact CG1-CG2 4.39Å; V162-I527 HydrophobicContact CG1-CD1 3.88Å; V162-I527 HydrophobicContact CG1-CG1 3.95Å; V162-I551 HydrophobicContact CB-CG2 4.47Å; V162-I551 HydrophobicContact CG1-CG2 4.45Å; V162-R555 PolarHBondContact O-NE 2.77Å; V162-R555 PolarHBondContact O-NH2 3.02Å
163	K	92.5	Very high	64.5	Low	28 Å²	28	63.4 Å²	63.4	12%	0.122	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146.9	167.3	-173.6	171.9	-177.6	171.4	0	110.4	D224 F239 T525 C526 I527	K163-D224 VanDerWaalsContact CA-OD2 3.29Å; K163-D224 WeakPolarHBondContact CA-OD2 3.42Å; K163-D224 HydrophobicContact CG-CB 4.12Å; K163-F239 VanDerWaalsContact NZ-CE1 3.3Å; K163-F239 VanDerWaalsContact NZ-CE2 3.34Å; K163-F239 VanDerWaalsContact NZ-CZ 3.25Å; K163-F239 PolarHBondContact NZ-O 3.14Å; K163-T525 PolarHBondContact N-O 3.07Å; K163-C526 HydrophobicContact CB-CB 4.17Å; K163-C526 CarbonylContact O-C 3.58Å; K163-C526 WeakPolarHBondContact O-CA 3.36Å; K163-I527 PolarHBondContact O-N 3.24Å
164	I	94.2	Very high	64.8	Low	3 Å²	3	65.5 Å²	65.5	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.9	179.4	-46.4	175.3	0	0	0	110	M223 D224 I529 A548 I551	I164-M223 HydrophobicContact CG2-SD 4.16Å; I164-D224 PolarHBondContact N-OD2 3.15Å; I164-D224 WeakPolarHBondContact O-CB 3.31Å; I164-D224 PolarHBondContact O-N 2.84Å; I164-I529 HydrophobicContact CG2-CD1 3.92Å; I164-I529 HydrophobicContact CG2-CG1 4.48Å; I164-A548 HydrophobicContact CD1-CB 4.43Å; I164-A548 WeakPolarHBondContact CD1-O 3.19Å; I164-A548 HydrophobicContact CG2-CB 4.08Å; I164-I551 HydrophobicContact CD1-CB 3.75Å; I164-I551 HydrophobicContact CD1-CG2 3.75Å; I164-I551 HydrophobicContact CG1-CG2 4.42Å
165	I	95.2	Very high	65	Low	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.8	176.2	-58.3	174.1	0	0	0	108	F227 L236 F239 A240 C526 I527 L528 I529	I165-F227 HydrophobicContact CG2-CD2 3.46Å; I165-F227 VanDerWaalsContact CG2-CD2 3.46Å; I165-F227 HydrophobicContact CG2-CE2 3.65Å; I165-L236 HydrophobicContact CG2-CD1 4Å; I165-F239 HydrophobicContact CD1-CD1 3.71Å; I165-F239 HydrophobicContact CD1-CE1 4.26Å; I165-F239 HydrophobicContact CG1-CD1 3.94Å; I165-F239 HydrophobicContact CG1-CE1 4Å; I165-A240 HydrophobicContact CD1-CB 3.64Å; I165-C526 VanDerWaalsContact CD1-SG 3.55Å; I165-I527 PolarHBondContact N-O 3.44Å; I165-L528 HydrophobicContact CB-CD1 3.96Å; I165-L528 HydrophobicContact CG2-CD1 3.66Å; I165-I529 PolarHBondContact O-N 3.38Å
166	L	94.7	Very high	65	Low	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.4	165.7	-178.9	70	0	0	0	109.1	L168 V194 M223 G225 I226 F227 I529 T531 L545	L166-L168 HydrophobicContact CD2-CD1 4.12Å; L166-L168 HydrophobicContact CD2-CG 4.34Å; L166-L168 HydrophobicContact CG-CG 4.39Å; L166-V194 HydrophobicContact CD2-CB 4.42Å; L166-V194 HydrophobicContact CD2-CG2 3.44Å; L166-V194 VanDerWaalsContact CD2-CG2 3.44Å; L166-M223 HydrophobicContact CB-CG 3.98Å; L166-G225 PolarHBondContact N-O 2.89Å; L166-G225 VanDerWaalsContact N-O 3.09Å; L166-I226 HydrophobicContact CB-CG1 4.45Å; L166-I226 HydrophobicContact CB-CG2 4.49Å; L166-I226 HydrophobicContact CD2-CG2 4.32Å; L166-I226 CarbonylContact O-C 3.04Å; L166-I226 WeakPolarHBondContact O-CA 3.29Å; L166-F227 PolarHBondContact O-N 2.83Å; L166-I529 CarbonylContact C-O 3.56Å; L166-I529 WeakPolarHBondContact CA-O 3.43Å; L166-I529 HydrophobicContact CD1-CB 4.09Å; L166-I529 HydrophobicContact CD1-CG2 3.77Å; L166-T531 HydrophobicContact CD1-CG2 4.28Å; L166-L545 HydrophobicContact CD2-CD2 4.09Å
167	Q	93.3	Very high	65	Low	10 Å²	10	71 Å²	71	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.9	169.8	-171.7	-171.3	15.7	0	0	109.4	F227 S269 L528 I529 Q530 T531	Q167-F227 WeakPolarHBondContact CA-O 3.13Å; Q167-F227 HydrophobicContact CG-CB 4.32Å; Q167-S269 PolarHBondContact NE2-OG 2.85Å; Q167-S269 PolarHBondContact OE1-OG 2.8Å; Q167-L528 HydrophobicContact CB-CD1 4.06Å; Q167-I529 PolarHBondContact N-O 3.09Å; Q167-Q530 HydrophobicContact CB-CG 4.23Å; Q167-T531 PolarHBondContact O-N 3.03Å; Q167-T531 PolarHBondContact O-OG1 3.34Å
168	L	90.2	Very high	64.8	Low	9 Å²	9	69.7 Å²	69.7	5%	0.047	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.4	178.2	-72.6	156.8	0	0	0	108.7	L166 L185 V187 I226 F227 T531	L166-L168 HydrophobicContact CD2-CD1 4.12Å; L166-L168 HydrophobicContact CD2-CG 4.34Å; L166-L168 HydrophobicContact CG-CG 4.39Å; L168-L185 HydrophobicContact CD1-CD2 3.73Å; L168-L185 HydrophobicContact CD2-CD1 3.84Å; L168-L185 HydrophobicContact CD2-CD2 3.89Å; L168-V187 HydrophobicContact CD1-CG2 3.43Å; L168-V187 VanDerWaalsContact CD1-CG2 3.43Å; L168-I226 HydrophobicContact CD1-CG2 4.13Å; L168-F227 PolarHBondContact N-O 3.29Å; L168-T531 WeakPolarHBondContact CA-O 3.47Å; L168-T531 WeakPolarHBondContact CD2-OG1 3.45Å
169	R	82.6	Confident	64.6	Low	59 Å²	59	67.8 Å²	67.8	22%	0.223	36%	0.357	C	S	.	.			trans	-131.2	140.7	168.1	-76.1	-173.9	158.8	155.5	-20.6	110.1	E229 I265 N268 S269 T531 S532 P533	R169-E229 HydrophobicContact CB-CG 4.12Å; R169-E229 HydrophobicContact CG-CG 3.74Å; R169-I265 HydrophobicContact CB-CD1 3.94Å; R169-I265 HydrophobicContact CB-CG1 4.17Å; R169-I265 HydrophobicContact CB-CG2 4.37Å; R169-N268 VanDerWaalsContact CZ-OD1 3.27Å; R169-N268 PolarHBondContact NH1-OD1 3.2Å; R169-N268 PolarHBondContact NH2-OD1 3.08Å; R169-S269 PolarHBondContact NH1-OG 3.45Å; R169-T531 PolarHBondContact N-O 3.45Å; R169-S532 VanDerWaalsContact O-CA 3.29Å; R169-S532 WeakPolarHBondContact O-CA 3.46Å; R169-P533 WeakPolarHBondContact O-CD 3.24Å
170	S	75	Confident	64.5	Low	45 Å²	45	75 Å²	75	32%	0.315	39%	0.387	S	S	.	.			trans	-77.2	167.9	178.5	-165.5	0	0	0	0	111.9	H172 E229 R262	S170-H172 PolarHBondContact O-N 3.32Å; S170-E229 WeakPolarHBondContact CB-OE2 3.43Å; S170-E229 PolarHBondContact N-OE1 2.83Å; S170-E229 PolarHBondContact N-OE2 2.95Å; S170-R262 PolarHBondContact O-NH1 3.22Å
171	D	64.1	Low	64.2	Low	33 Å²	33	78.4 Å²	78.4	18%	0.176	40%	0.397	C	S	.	.			trans	-96.3	70.7	176.9	-58.2	-28.5	0	0	0	108.9	E173 R262 S532 N534	D171-E173 VanDerWaalsContact C-N 3.25Å; D171-E173 PolarHBondContact O-N 3.39Å; D171-R262 WeakPolarHBondContact OD1-CD 3.4Å; D171-R262 IonicContact OD1-CZ 2.7Å; D171-R262 IonicContact OD1-NE 2.7Å; D171-R262 IonicContact OD1-NH1 2.63Å; D171-R262 PolarHBondContact OD1-NH1 2.97Å; D171-S532 VanDerWaalsContact CG-OG 3.25Å; D171-S532 WeakPolarHBondContact OD1-CB 3.48Å; D171-S532 PolarHBondContact OD1-OG 3.08Å; D171-S532 VanDerWaalsContact OD1-OG 3.04Å; D171-S532 PolarHBondContact OD2-OG 3.48Å; D171-N534 WeakPolarHBondContact OD2-CB 3.32Å; D171-N534 PolarHBondContact OD2-ND2 3.49Å
172	H	51.1	Low	63	Low	136 Å²	136	79.8 Å²	79.8	63%	0.63	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	6.5	-158.4	-110.6	-50.7	0	0	0	118.3	S170 E229	S170-H172 PolarHBondContact O-N 3.32Å; H172-E229 IonicContact CD2-OE1 3.16Å
173	E	44.2	Very low	61.9	Low	137 Å²	137	82.6 Å²	82.6	64%	0.64	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	0.5	-172	-73.4	161.1	161	0	0	114.2	D171	D171-E173 VanDerWaalsContact C-N 3.25Å; D171-E173 PolarHBondContact O-N 3.39Å
174	I	40.6	Very low	61.5	Low	143 Å²	143	81.7 Å²	81.7	73%	0.733	43%	0.425	S	S	*	.	S	Bend	trans	-129.3	133.4	176.5	-54.1	-179.6	0	0	0	110.6
175	D	35.8	Very low	61.2	Low	119 Å²	119	82 Å²	82	64%	0.636	43%	0.426	S	S	*	.			trans	57.5	83.5	177.2	-71.4	-44.2	0	0	0	117.6	S178	D175-S178 PolarHBondContact OD1-OG 3.12Å
176	K	36.1	Very low	60.9	Low	216 Å²	216	84.5 Å²	84.5	94%	0.939	44%	0.442	S	S	*	.	S	Bend	trans	-76.7	-0.7	149.9	-75.6	-176.3	178.4	173.7	0	113.4
177	G	36	Very low	60.7	Low	73 Å²	73	87.2 Å²	87.2	75%	0.753	46%	0.458	S	S	*	.	S	Bend	trans	-97.9	-32.6	-171.1	0	0	0	0	0	116.9
178	S	34.9	Very low	60.6	Low	69 Å²	69	90.6 Å²	90.6	48%	0.483	47%	0.474	S	S	.	.	S	Bend	trans	-147.9	32.2	-145.5	57.1	0	0	0	0	117.5	D175	D175-S178 PolarHBondContact OD1-OG 3.12Å
179	Q	37.8	Very low	60.5	Low	144 Å²	144	93.4 Å²	93.4	67%	0.673	49%	0.486	S	S	*	.			trans	-162.7	121.4	158.6	-119.9	160	66.1	0	0	115	K181	Q179-K181 HydrophobicContact CB-CB 4.11Å; Q179-K181 HydrophobicContact CB-CG 4.47Å; Q179-K181 PolarHBondContact O-N 3.47Å
180	Q	40.5	Very low	60.8	Low	203 Å²	203	102.1 Å²	102.1	95%	0.949	52%	0.519	S	S	*	.			trans	-72.3	76.4	153.5	-74	-176.1	-9	0	0	108.2	L182	Q180-L182 PolarHBondContact O-N 3.11Å
181	K	45.8	Very low	61.5	Low	108 Å²	108	105.4 Å²	105.4	47%	0.47	53%	0.527	S	S	.	.			trans	-73.9	110.4	-164.1	-154.6	159.2	-177.7	174.1	0	111.3	Q179 S183 N534	Q179-K181 HydrophobicContact CB-CB 4.11Å; Q179-K181 HydrophobicContact CB-CG 4.47Å; Q179-K181 PolarHBondContact O-N 3.47Å; K181-S183 PolarHBondContact O-N 3.15Å; K181-N534 PolarHBondContact NZ-OD1 3.48Å
182	L	48	Very low	62.9	Low	133 Å²	133	106.5 Å²	106.5	70%	0.696	53%	0.533	S	S	*	.			trans	-54.9	102.7	172.6	-78.1	159.6	0	0	0	110.3	Q180 Y184 N202	Q180-L182 PolarHBondContact O-N 3.11Å; L182-Y184 PolarHBondContact O-N 3.16Å; L182-N202 WeakPolarHBondContact CD1-ND2 3.26Å
183	S	66.5	Low	64.9	Low	67 Å²	67	102.1 Å²	102.1	47%	0.469	51%	0.513	S	S	.	.			trans	-71.2	93.4	-179.6	62.7	0	0	0	0	110	K181 L185 T186	K181-S183 PolarHBondContact O-N 3.15Å; S183-L185 PolarHBondContact O-N 3.23Å; S183-L185 VanDerWaalsContact O-N 3.15Å; S183-T186 WeakPolarHBondContact O-CG2 3.27Å
184	Y	85.6	Confident	67.3	Low	9 Å²	9	95.6 Å²	95.6	4%	0.035	48%	0.483	C	S	.	.	S	Bend	trans	-58	-25.2	175.1	72.9	-84.9	0	0	0	112.1	L182 L196 N197 P533 N534 V535 Y538 N541	L182-Y184 PolarHBondContact O-N 3.16Å; Y184-L196 HydrophobicContact CD2-CD1 3.78Å; Y184-L196 HydrophobicContact CD2-CG 4.3Å; Y184-L196 HydrophobicContact CE2-CD1 3.66Å; Y184-N197 WeakPolarHBondContact O-CB 3.43Å; Y184-N197 PolarHBondContact O-N 2.69Å; Y184-P533 WeakPolarHBondContact CE1-O 3.28Å; Y184-N534 WeakPolarHBondContact CE1-O 3.2Å; Y184-N534 PolarHBondContact OH-O 3.5Å; Y184-V535 HydrophobicContact CD1-CB 4.15Å; Y184-V535 HydrophobicContact CD1-CG2 4.2Å; Y184-V535 VanDerWaalsContact CE1-CA 3.4Å; Y184-V535 HydrophobicContact CE1-CB 4.08Å; Y184-V535 HydrophobicContact CE1-CG2 4.44Å; Y184-Y538 AromaticContact CD2-CD2 3.53Å; Y184-Y538 HydrophobicContact CD2-CD2 3.53Å; Y184-Y538 HydrophobicContact CD2-CE2 4.26Å; Y184-Y538 HydrophobicContact CD2-CG 4.39Å; Y184-Y538 AromaticContact CE2-CD2 3.64Å; Y184-Y538 HydrophobicContact CE2-CD2 3.64Å; Y184-Y538 HydrophobicContact CE2-CG 4.33Å; Y184-Y538 HydrophobicContact CG-CD2 4.47Å; Y184-N541 PolarHBondContact OH-ND2 2.82Å
185	L	87.6	Confident	69.7	Low	8 Å²	8	90.2 Å²	90.2	4%	0.042	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.4	171.1	-164.3	159.3	0	0	0	109	L168 S183 V187 V194 L196	L168-L185 HydrophobicContact CD1-CD2 3.73Å; L168-L185 HydrophobicContact CD2-CD1 3.84Å; L168-L185 HydrophobicContact CD2-CD2 3.89Å; S183-L185 PolarHBondContact O-N 3.23Å; S183-L185 VanDerWaalsContact O-N 3.15Å; L185-V187 HydrophobicContact CD2-CG2 3.79Å; L185-V194 HydrophobicContact CD1-CG1 4.28Å; L185-V194 HydrophobicContact CD2-CG1 3.61Å; L185-V194 HydrophobicContact CD2-CG2 4.35Å; L185-V194 HydrophobicContact CG-CG1 3.68Å; L185-L196 HydrophobicContact CB-CD1 4.05Å; L185-L196 HydrophobicContact CD1-CD1 3.98Å; L185-L196 HydrophobicContact CG-CD1 3.95Å
186	T	89.4	Confident	72.4	Confident	54 Å²	54	84.6 Å²	84.6	33%	0.331	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.2	177.2	52.8	0	0	0	0	110.5	S183 V194 C195	S183-T186 WeakPolarHBondContact O-CG2 3.27Å; T186-V194 CarbonylContact O-C 3.48Å; T186-V194 WeakPolarHBondContact O-CA 3.34Å; T186-C195 PolarHBondContact N-O 2.71Å; T186-C195 PolarHBondContact O-N 2.69Å; T186-C195 WeakPolarHBondContact OG1-CB 3.29Å; T186-C195 PolarHBondContact OG1-O 3.17Å
187	V	90.5	Very high	74.9	Confident	56 Å²	56	76.8 Å²	76.8	34%	0.339	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.6	-168.9	-175	0	0	0	0	111	L168 L185 K189 V194 I226	L168-V187 HydrophobicContact CD1-CG2 3.43Å; L168-V187 VanDerWaalsContact CD1-CG2 3.43Å; L185-V187 HydrophobicContact CD2-CG2 3.79Å; V187-K189 HydrophobicContact CG1-CB 4.33Å; V187-V194 HydrophobicContact CG2-CG2 4.37Å; V187-I226 HydrophobicContact CG1-CD1 4.25Å; V187-I226 HydrophobicContact CG1-CG2 3.83Å
188	E	90.8	Very high	77.2	Confident	81 Å²	81	74.8 Å²	74.8	38%	0.379	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	75.7	169.1	-163.4	174.6	-175.3	0	0	110.4	R190 K191 N192 Q193	E188-R190 VanDerWaalsContact C-N 3.26Å; E188-R190 PolarHBondContact O-N 3.15Å; E188-K191 VanDerWaalsContact CD-CE 3.46Å; E188-K191 HydrophobicContact CG-CB 4.26Å; E188-K191 HydrophobicContact CG-CD 4.39Å; E188-K191 HydrophobicContact CG-CG 4.09Å; E188-K191 PolarHBondContact O-N 3.21Å; E188-K191 WeakPolarHBondContact OE1-CD 3.36Å; E188-K191 WeakPolarHBondContact OE1-CE 3.24Å; E188-K191 IonicContact OE1-NZ 2.73Å; E188-K191 PolarHBondContact OE1-NZ 3.48Å; E188-K191 VanDerWaalsContact OE2-CD 3.29Å; E188-K191 WeakPolarHBondContact OE2-CD 3.26Å; E188-K191 WeakPolarHBondContact OE2-CE 3.17Å; E188-K191 IonicContact OE2-NZ 2.7Å; E188-K191 PolarHBondContact OE2-NZ 3.09Å; E188-N192 PolarHBondContact O-N 3.29Å; E188-Q193 PolarHBondContact N-O 3.42Å; E188-Q193 PolarHBondContact O-N 3.25Å
189	K	88	Confident	79.2	Confident	69 Å²	69	73.8 Å²	73.8	30%	0.3	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-51	-41.3	-177.5	-167.5	165.8	172.3	174.4	0	112.5	V187 K191 N192 T228 E230 D231	V187-K189 HydrophobicContact CG1-CB 4.33Å; K189-K191 PolarHBondContact O-N 3.42Å; K189-K191 VanDerWaalsContact O-N 3.16Å; K189-N192 PolarHBondContact O-N 3.29Å; K189-N192 PolarHBondContact O-OD1 2.77Å; K189-T228 PolarHBondContact NZ-OG1 3.43Å; K189-T228 VanDerWaalsContact NZ-OG1 3.17Å; K189-E230 IonicContact NZ-OE2 3.12Å; K189-D231 WeakPolarHBondContact CE-OD1 3.13Å; K189-D231 VanDerWaalsContact CE-OD2 3.26Å; K189-D231 WeakPolarHBondContact CE-OD2 3.27Å; K189-D231 IonicContact NZ-OD1 3.63Å; K189-D231 PolarHBondContact NZ-OD1 3.1Å; K189-D231 IonicContact NZ-OD2 2.62Å; K189-D231 PolarHBondContact NZ-OD2 3.07Å
190	R	87.8	Confident	80.9	Confident	242 Å²	242	73.1 Å²	73.1	91%	0.913	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.4	175.7	-73.3	-170.9	176.3	100.2	0.3	115	E188	E188-R190 VanDerWaalsContact C-N 3.26Å; E188-R190 PolarHBondContact O-N 3.15Å
191	K	90.7	Very high	82.1	Confident	113 Å²	113	68.1 Å²	68.1	49%	0.491	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-107	2	176	-62.3	-169.1	-167.4	132.6	0	113.3	E188 K189 Q193	E188-K191 VanDerWaalsContact CD-CE 3.46Å; E188-K191 HydrophobicContact CG-CB 4.26Å; E188-K191 HydrophobicContact CG-CD 4.39Å; E188-K191 HydrophobicContact CG-CG 4.09Å; E188-K191 PolarHBondContact O-N 3.21Å; E188-K191 WeakPolarHBondContact OE1-CD 3.36Å; E188-K191 WeakPolarHBondContact OE1-CE 3.24Å; E188-K191 IonicContact OE1-NZ 2.73Å; E188-K191 PolarHBondContact OE1-NZ 3.48Å; E188-K191 VanDerWaalsContact OE2-CD 3.29Å; E188-K191 WeakPolarHBondContact OE2-CD 3.26Å; E188-K191 WeakPolarHBondContact OE2-CE 3.17Å; E188-K191 IonicContact OE2-NZ 2.7Å; E188-K191 PolarHBondContact OE2-NZ 3.09Å; K189-K191 PolarHBondContact O-N 3.42Å; K189-K191 VanDerWaalsContact O-N 3.16Å; K191-Q193 HydrophobicContact CB-CB 4.28Å; K191-Q193 HydrophobicContact CB-CG 4.12Å; K191-Q193 PolarHBondContact O-N 3.03Å
192	N	93.2	Very high	82.5	Confident	56 Å²	56	68.6 Å²	68.6	30%	0.299	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	46	-165.8	-72.7	-32.4	0	0	0	112.8	E188 K189 A222 M223 D224	E188-N192 PolarHBondContact O-N 3.29Å; K189-N192 PolarHBondContact O-N 3.29Å; K189-N192 PolarHBondContact O-OD1 2.77Å; N192-A222 WeakPolarHBondContact O-CA 3.23Å; N192-M223 PolarHBondContact O-N 2.66Å; N192-D224 PolarHBondContact ND2-O 2.8Å
193	Q	94	Very high	82.5	Confident	45 Å²	45	65.1 Å²	65.1	21%	0.21	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.6	-179.2	-75	163.3	29.9	0	0	112.3	E188 K191 L220 F221 A222 I226	E188-Q193 PolarHBondContact N-O 3.42Å; E188-Q193 PolarHBondContact O-N 3.25Å; K191-Q193 HydrophobicContact CB-CB 4.28Å; K191-Q193 HydrophobicContact CB-CG 4.12Å; K191-Q193 PolarHBondContact O-N 3.03Å; Q193-L220 HydrophobicContact CB-CD1 4.04Å; Q193-F221 CarbonylContact C-O 3.57Å; Q193-F221 WeakPolarHBondContact CA-O 3.36Å; Q193-A222 HydrophobicContact CG-CB 4.06Å; Q193-I226 VanDerWaalsContact C-CD1 3.43Å; Q193-I226 VanDerWaalsContact N-CD1 3.34Å; Q193-I226 WeakPolarHBondContact O-CD1 3.25Å
194	V	93.1	Very high	81.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.4	165.7	167.2	0	0	0	0	108.8	L166 L185 T186 V187 F221 I226 L545	L166-V194 HydrophobicContact CD2-CB 4.42Å; L166-V194 HydrophobicContact CD2-CG2 3.44Å; L166-V194 VanDerWaalsContact CD2-CG2 3.44Å; L185-V194 HydrophobicContact CD1-CG1 4.28Å; L185-V194 HydrophobicContact CD2-CG1 3.61Å; L185-V194 HydrophobicContact CD2-CG2 4.35Å; L185-V194 HydrophobicContact CG-CG1 3.68Å; T186-V194 CarbonylContact O-C 3.48Å; T186-V194 WeakPolarHBondContact O-CA 3.34Å; V187-V194 HydrophobicContact CG2-CG2 4.37Å; V194-F221 PolarHBondContact N-O 3.09Å; V194-F221 PolarHBondContact O-N 2.72Å; V194-I226 HydrophobicContact CG2-CD1 3.72Å; V194-I226 HydrophobicContact CG2-CG1 4.47Å; V194-L545 HydrophobicContact CG1-CD1 4.15Å
195	C	92.2	Very high	78.9	Confident	30 Å²	30	77.5 Å²	77.5	20%	0.203	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.2	175.1	-177.3	0	0	0	0	109.4	T186 S218 L220	T186-C195 PolarHBondContact N-O 2.71Å; T186-C195 PolarHBondContact O-N 2.69Å; T186-C195 WeakPolarHBondContact OG1-CB 3.29Å; T186-C195 PolarHBondContact OG1-O 3.17Å; C195-S218 WeakPolarHBondContact SG-CB 3.33Å; C195-L220 HydrophobicContact CB-CD1 3.9Å
196	L	91.1	Very high	76.5	Confident	1 Å²	1	82 Å²	82	1%	0.005	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.6	-175.7	-159.7	84.3	0	0	0	109.9	Y184 L185 K219 F221 Y538 L542 L545	Y184-L196 HydrophobicContact CD2-CD1 3.78Å; Y184-L196 HydrophobicContact CD2-CG 4.3Å; Y184-L196 HydrophobicContact CE2-CD1 3.66Å; L185-L196 HydrophobicContact CB-CD1 4.05Å; L185-L196 HydrophobicContact CD1-CD1 3.98Å; L185-L196 HydrophobicContact CG-CD1 3.95Å; L196-K219 HydrophobicContact CB-CB 4.35Å; L196-K219 PolarHBondContact N-O 2.9Å; L196-K219 PolarHBondContact O-N 3.28Å; L196-F221 HydrophobicContact CB-CD2 4.38Å; L196-F221 HydrophobicContact CB-CE2 3.92Å; L196-F221 HydrophobicContact CD2-CE2 4.37Å; L196-Y538 HydrophobicContact CD2-CD2 4.05Å; L196-Y538 HydrophobicContact CD2-CE2 3.57Å; L196-Y538 HydrophobicContact CG-CD2 4.27Å; L196-Y538 HydrophobicContact CG-CE2 3.88Å; L196-L542 HydrophobicContact CD2-CB 3.89Å; L196-L542 HydrophobicContact CD2-CD1 3.8Å; L196-L542 HydrophobicContact CD2-CG 4.39Å; L196-L545 HydrophobicContact CB-CD1 4.49Å; L196-L545 HydrophobicContact CD1-CD1 3.88Å; L196-L545 HydrophobicContact CD2-CD1 4.32Å; L196-L545 HydrophobicContact CG-CD1 4.48Å
197	N	88.6	Confident	74.1	Confident	51 Å²	51	84.5 Å²	84.5	27%	0.273	45%	0.451	S	S	.	.			trans	-80.2	154.5	172.1	-54	-32.7	0	0	0	109.4	Y184 S218 Y538	Y184-N197 WeakPolarHBondContact O-CB 3.43Å; Y184-N197 PolarHBondContact O-N 2.69Å; N197-S218 WeakPolarHBondContact OD1-CB 3.24Å; N197-S218 PolarHBondContact OD1-OG 3.03Å; N197-Y538 WeakPolarHBondContact O-CE2 3.21Å
198	D	84	Confident	71.4	Confident	31 Å²	31	87.9 Å²	87.9	17%	0.166	47%	0.472	C	S	.	.			trans	-89.5	122.4	172.5	-157.9	-63.6	0	0	0	109.2	N200 I201 Y538	D198-N200 PolarHBondContact O-N 2.69Å; D198-N200 VanDerWaalsContact O-N 3.12Å; D198-N200 PolarHBondContact OD1-N 2.86Å; D198-N200 PolarHBondContact OD1-ND2 3.09Å; D198-I201 HydrophobicContact CB-CD1 3.81Å; D198-I201 HydrophobicContact CB-CG1 4.13Å; D198-I201 PolarHBondContact O-N 2.92Å; D198-Y538 PolarHBondContact OD2-OH 3.32Å
199	P	78.6	Confident	68.7	Low	49 Å²	49	91.5 Å²	91.5	32%	0.318	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.9	-173.7	26.1	-35	0	0	0	113.6	I201 V535 Y538	P199-I201 VanDerWaalsContact C-N 3.29Å; P199-I201 PolarHBondContact O-N 2.91Å; P199-V535 HydrophobicContact CB-CG2 3.79Å; P199-V535 HydrophobicContact CG-CG2 3.9Å; P199-Y538 HydrophobicContact CG-CD1 4.08Å; P199-Y538 HydrophobicContact CG-CE1 4.43Å; P199-Y538 HydrophobicContact CG-CG 4.18Å
200	N	73.8	Confident	66.4	Low	130 Å²	130	95.9 Å²	95.9	70%	0.695	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-79.1	-6	-177.4	-56.9	-77.9	0	0	0	114	D198	D198-N200 PolarHBondContact O-N 2.69Å; D198-N200 VanDerWaalsContact O-N 3.12Å; D198-N200 PolarHBondContact OD1-N 2.86Å; D198-N200 PolarHBondContact OD1-ND2 3.09Å
201	I	65	Low	63.7	Low	97 Å²	97	94.6 Å²	94.6	50%	0.497	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-74.1	-28.3	-173.7	-69.9	171.6	0	0	0	112.6	D198 P199 G203 H216	D198-I201 HydrophobicContact CB-CD1 3.81Å; D198-I201 HydrophobicContact CB-CG1 4.13Å; D198-I201 PolarHBondContact O-N 2.92Å; P199-I201 VanDerWaalsContact C-N 3.29Å; P199-I201 PolarHBondContact O-N 2.91Å; I201-G203 PolarHBondContact O-N 3.21Å; I201-G203 VanDerWaalsContact O-N 3.11Å; I201-H216 WeakPolarHBondContact CD1-O 3.49Å
202	N	53.6	Low	61	Low	118 Å²	118	94.6 Å²	94.6	63%	0.631	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-85.9	25.7	-172.6	-66.2	19.6	0	0	0	113.8	L182	L182-N202 WeakPolarHBondContact CD1-ND2 3.26Å
203	G	48.9	Very low	58	Low	60 Å²	60	97.9 Å²	97.9	62%	0.619	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-99.5	-8.7	-166.2	0	0	0	0	0	117.8	I201	I201-G203 PolarHBondContact O-N 3.21Å; I201-G203 VanDerWaalsContact O-N 3.11Å
204	N	39.2	Very low	55.2	Low	131 Å²	131	102.5 Å²	102.5	70%	0.701	58%	0.582	S	S	*	*			trans	-150.9	101	-173.5	-88.6	-50.6	0	0	0	113.7
205	E	38	Very low	52.8	Low	206 Å²	206	107.7 Å²	107.7	96%	0.963	62%	0.618	S	S	*	*	S	Bend	trans	-111.7	45.9	160.1	-72.1	-156.8	137.5	0	0	111.5
206	S	35.3	Very low	50.8	Low	102 Å²	102	113 Å²	113	71%	0.713	64%	0.64	S	S	*	*	S	Bend	trans	-154	37.7	-179.1	58.2	0	0	0	0	116.2
207	S	40.7	Very low	49.6	Very low	107 Å²	107	115.7 Å²	115.7	75%	0.748	67%	0.668	S	S	*	*			trans	-158.5	145.9	158.3	38.2	0	0	0	0	113.5
208	T	34	Very low	49.2	Very low	127 Å²	127	116.6 Å²	116.6	78%	0.779	68%	0.678	S	S	*	*			trans	-95.1	151.5	-173.1	52.5	0	0	0	0	113.6
209	N	33	Very low	49.4	Very low	157 Å²	157	118.2 Å²	118.2	84%	0.84	68%	0.684	S	S	*	*			trans	67.3	86.2	167	-68.6	-57.4	0	0	0	118.2
210	L	39.3	Very low	50.1	Low	161 Å²	161	121 Å²	121	84%	0.843	70%	0.695	S	S	*	*			trans	-135.3	117.4	145.5	-92.6	173.8	0	0	0	110.8	C212	L210-C212 PolarHBondContact O-N 3.38Å; L210-C212 VanDerWaalsContact O-N 3.15Å
211	K	31.9	Very low	51	Low	215 Å²	215	115.6 Å²	115.6	94%	0.935	67%	0.666	S	S	*	*			trans	-79.3	86.5	167.5	-80.9	-175	175.4	178.8	0	109.4
212	C	34.4	Very low	52.4	Low	113 Å²	113	112.5 Å²	112.5	76%	0.764	65%	0.654	S	S	*	*			trans	-99.2	112.1	169.8	-81.2	0	0	0	0	111.2	L210	L210-C212 PolarHBondContact O-N 3.38Å; L210-C212 VanDerWaalsContact O-N 3.15Å
213	T	30.1	Very low	54.2	Low	125 Å²	125	107.3 Å²	107.3	77%	0.767	63%	0.626	S	S	*	*			trans	-82.4	143.3	168.2	47.8	0	0	0	0	111.1
214	N	34.6	Very low	56.3	Low	142 Å²	142	106.3 Å²	106.3	76%	0.759	61%	0.607	S	S	*	*	S	Bend	trans	86.8	102.8	169.7	-57.7	-12.5	0	0	0	119
215	S	43.1	Very low	59	Low	109 Å²	109	100.2 Å²	100.2	76%	0.762	58%	0.575	S	S	*	*			trans	66.5	69.6	130.5	65.8	0	0	0	0	121.1
216	H	49.2	Very low	61.7	Low	141 Å²	141	90.7 Å²	90.7	65%	0.653	53%	0.531	S	S	*	.			trans	-123.9	44.9	150.9	-79.3	-91.4	0	0	0	112.4	I201	I201-H216 WeakPolarHBondContact CD1-O 3.49Å
217	G	66.7	Low	64.5	Low	58 Å²	58	86.8 Å²	86.8	60%	0.598	50%	0.501	S	S	*	.			trans	-75.1	159.2	171.3	0	0	0	0	0	113.1
218	S	79.4	Confident	66.9	Low	70 Å²	70	83.1 Å²	83.1	49%	0.49	47%	0.474	S	S	.	.			trans	-57.3	134.9	-179.6	-50	0	0	0	0	113.2	C195 N197	C195-S218 WeakPolarHBondContact SG-CB 3.33Å; N197-S218 WeakPolarHBondContact OD1-CB 3.24Å; N197-S218 PolarHBondContact OD1-OG 3.03Å
219	K	89.5	Confident	69.3	Low	65 Å²	65	81.4 Å²	81.4	28%	0.283	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.4	-171.3	-61.8	160.3	-169.9	153.6	0	110.1	L196 F221 Y538 L542	L196-K219 HydrophobicContact CB-CB 4.35Å; L196-K219 PolarHBondContact N-O 2.9Å; L196-K219 PolarHBondContact O-N 3.28Å; K219-F221 HydrophobicContact CB-CD2 4.43Å; K219-F221 HydrophobicContact CB-CE2 3.56Å; K219-F221 HydrophobicContact CB-CZ 3.9Å; K219-F221 WeakPolarHBondContact O-CD2 3.41Å; K219-F221 WeakPolarHBondContact O-CE2 3.34Å; K219-Y538 PolarHBondContact NZ-OH 3.46Å; K219-Y538 VanDerWaalsContact NZ-OH 3.08Å; K219-L542 HydrophobicContact CD-CD1 3.81Å
220	L	91.9	Very high	71.9	Confident	107 Å²	107	81.8 Å²	81.8	56%	0.56	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.2	-178.9	-167.5	69.3	0	0	0	111.8	Q193 C195	Q193-L220 HydrophobicContact CB-CD1 4.04Å; C195-L220 HydrophobicContact CB-CD1 3.9Å
221	F	94.6	Very high	74.4	Confident	17 Å²	17	75.9 Å²	75.9	8%	0.075	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.6	-178.3	-59.3	-86.9	0	0	0	110.6	Q193 V194 L196 K219 M223 L542 L545 Q546	Q193-F221 CarbonylContact C-O 3.57Å; Q193-F221 WeakPolarHBondContact CA-O 3.36Å; V194-F221 PolarHBondContact N-O 3.09Å; V194-F221 PolarHBondContact O-N 2.72Å; L196-F221 HydrophobicContact CB-CD2 4.38Å; L196-F221 HydrophobicContact CB-CE2 3.92Å; L196-F221 HydrophobicContact CD2-CE2 4.37Å; K219-F221 HydrophobicContact CB-CD2 4.43Å; K219-F221 HydrophobicContact CB-CE2 3.56Å; K219-F221 HydrophobicContact CB-CZ 3.9Å; K219-F221 WeakPolarHBondContact O-CD2 3.41Å; K219-F221 WeakPolarHBondContact O-CE2 3.34Å; F221-M223 HydrophobicContact CB-CE 3.69Å; F221-L542 HydrophobicContact CZ-CD1 4.01Å; F221-L545 HydrophobicContact CB-CB 4.46Å; F221-L545 HydrophobicContact CB-CD2 4.28Å; F221-L545 HydrophobicContact CD1-CB 3.77Å; F221-L545 VanDerWaalsContact CD1-O 3.29Å; F221-L545 WeakPolarHBondContact CD1-O 3.37Å; F221-L545 HydrophobicContact CD2-CB 3.84Å; F221-L545 HydrophobicContact CD2-CD1 3.95Å; F221-L545 HydrophobicContact CD2-CG 4.34Å; F221-L545 HydrophobicContact CE1-CB 3.83Å; F221-L545 HydrophobicContact CE2-CB 3.88Å; F221-L545 HydrophobicContact CE2-CD1 4.09Å; F221-L545 HydrophobicContact CG-CB 3.78Å; F221-L545 HydrophobicContact CG-CD2 4.43Å; F221-L545 HydrophobicContact CG-CG 4.48Å; F221-L545 HydrophobicContact CZ-CB 3.88Å; F221-Q546 HydrophobicContact CE1-CG 4.15Å; F221-Q546 HydrophobicContact CZ-CG 4.35Å
222	A	92.5	Very high	77.3	Confident	31 Å²	31	68 Å²	68	26%	0.256	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.8	176.1	0	0	0	0	0	111.6	N192 Q193 Q552	N192-A222 WeakPolarHBondContact O-CA 3.23Å; Q193-A222 HydrophobicContact CG-CB 4.06Å; A222-Q552 PolarHBondContact O-NE2 2.83Å
223	M	92.5	Very high	80	Confident	10 Å²	10	63.8 Å²	63.8	5%	0.049	36%	0.364	C	S	.	.			trans	-113.1	174.6	176.8	-58.2	-57.9	138.1	0	0	110.6	I164 L166 N192 F221 I226 L545 A548	I164-M223 HydrophobicContact CG2-SD 4.16Å; L166-M223 HydrophobicContact CB-CG 3.98Å; N192-M223 PolarHBondContact O-N 2.66Å; F221-M223 HydrophobicContact CB-CE 3.69Å; M223-I226 HydrophobicContact CB-CG1 4Å; M223-I226 HydrophobicContact CG-CG1 4.07Å; M223-L545 HydrophobicContact CE-CD2 3.66Å; M223-A548 HydrophobicContact CE-CB 3.79Å; M223-A548 HydrophobicContact SD-CB 3.77Å
224	D	93.6	Very high	83	Confident	39 Å²	39	59.5 Å²	59.5	21%	0.209	34%	0.342	C	S	.	.	S	Bend	trans	-80.7	-28.5	167.1	-60.1	-42.6	0	0	0	111.6	K163 I164 N192 F239 R555	K163-D224 VanDerWaalsContact CA-OD2 3.29Å; K163-D224 WeakPolarHBondContact CA-OD2 3.42Å; K163-D224 HydrophobicContact CG-CB 4.12Å; I164-D224 PolarHBondContact N-OD2 3.15Å; I164-D224 WeakPolarHBondContact O-CB 3.31Å; I164-D224 PolarHBondContact O-N 2.84Å; N192-D224 PolarHBondContact ND2-O 2.8Å; D224-F239 WeakPolarHBondContact O-CZ 3.47Å; D224-R555 VanDerWaalsContact CG-NH2 3.33Å; D224-R555 IonicContact OD1-CZ 2.77Å; D224-R555 IonicContact OD1-NH1 3.84Å; D224-R555 PolarHBondContact OD1-NH1 3.4Å; D224-R555 IonicContact OD1-NH2 3.68Å; D224-R555 PolarHBondContact OD1-NH2 3.02Å; D224-R555 IonicContact OD2-CZ 2.78Å; D224-R555 IonicContact OD2-NH1 3.37Å; D224-R555 PolarHBondContact OD2-NH1 2.92Å; D224-R555 IonicContact OD2-NH2 3.23Å; D224-R555 PolarHBondContact OD2-NH2 3.44Å
225	G	94.3	Very high	85.9	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	153.6	171.1	0	0	0	0	0	111.2	L166	L166-G225 PolarHBondContact N-O 2.89Å; L166-G225 VanDerWaalsContact N-O 3.09Å
226	I	95.3	Very high	88.3	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.5	176.6	-54.5	165.5	0	0	0	108.5	L166 L168 V187 Q193 V194 M223	L166-I226 HydrophobicContact CB-CG1 4.45Å; L166-I226 HydrophobicContact CB-CG2 4.49Å; L166-I226 HydrophobicContact CD2-CG2 4.32Å; L166-I226 CarbonylContact O-C 3.04Å; L166-I226 WeakPolarHBondContact O-CA 3.29Å; L168-I226 HydrophobicContact CD1-CG2 4.13Å; V187-I226 HydrophobicContact CG1-CD1 4.25Å; V187-I226 HydrophobicContact CG1-CG2 3.83Å; Q193-I226 VanDerWaalsContact C-CD1 3.43Å; Q193-I226 VanDerWaalsContact N-CD1 3.34Å; Q193-I226 WeakPolarHBondContact O-CD1 3.25Å; V194-I226 HydrophobicContact CG2-CD1 3.72Å; V194-I226 HydrophobicContact CG2-CG1 4.47Å; M223-I226 HydrophobicContact CB-CG1 4Å; M223-I226 HydrophobicContact CG-CG1 4.07Å
227	F	94.1	Very high	90.6	Very high	19 Å²	19	46 Å²	46	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.2	178.9	-65.9	-98.3	0	0	0	110.2	I165 L166 Q167 L168 D231 E235 L236 F239	I165-F227 HydrophobicContact CG2-CD2 3.46Å; I165-F227 VanDerWaalsContact CG2-CD2 3.46Å; I165-F227 HydrophobicContact CG2-CE2 3.65Å; L166-F227 PolarHBondContact O-N 2.83Å; Q167-F227 WeakPolarHBondContact CA-O 3.13Å; Q167-F227 HydrophobicContact CG-CB 4.32Å; L168-F227 PolarHBondContact N-O 3.29Å; F227-D231 VanDerWaalsContact CA-OD2 3.24Å; F227-D231 WeakPolarHBondContact CA-OD2 3.45Å; F227-D231 HydrophobicContact CB-CB 4.37Å; F227-D231 HydrophobicContact CD1-CB 3.7Å; F227-E235 HydrophobicContact CE1-CB 4.34Å; F227-L236 HydrophobicContact CB-CD1 4.49Å; F227-L236 HydrophobicContact CD1-CB 3.96Å; F227-L236 HydrophobicContact CD1-CD1 4.16Å; F227-L236 HydrophobicContact CD2-CD1 3.76Å; F227-L236 HydrophobicContact CE1-CB 4.14Å; F227-L236 HydrophobicContact CE1-CD1 4.43Å; F227-L236 HydrophobicContact CE2-CD1 4.06Å; F227-L236 HydrophobicContact CG-CB 4.45Å; F227-L236 HydrophobicContact CG-CD1 3.85Å; F227-L236 HydrophobicContact CZ-CD1 4.39Å; F227-F239 HydrophobicContact CE2-CB 4.32Å; F227-F239 AromaticContact CE2-CD1 3.62Å; F227-F239 HydrophobicContact CE2-CD1 3.62Å; F227-F239 HydrophobicContact CE2-CE1 4.25Å; F227-F239 HydrophobicContact CE2-CG 4.21Å; F227-F239 HydrophobicContact CZ-CB 3.61Å; F227-F239 AromaticContact CZ-CD1 3.73Å; F227-F239 HydrophobicContact CZ-CD1 3.73Å; F227-F239 AromaticContact CZ-CG 3.82Å; F227-F239 HydrophobicContact CZ-CG 3.82Å
228	T	91.1	Very high	91.9	Very high	30 Å²	30	44.3 Å²	44.3	18%	0.184	24%	0.243	C	C	.	.			trans	-114.2	179	175.3	51.2	0	0	0	0	109.8	K189 E230 D231	K189-T228 PolarHBondContact NZ-OG1 3.43Å; K189-T228 VanDerWaalsContact NZ-OG1 3.17Å; T228-E230 PolarHBondContact O-N 3.27Å; T228-E230 PolarHBondContact OG1-OE2 2.96Å; T228-D231 PolarHBondContact N-OD2 2.91Å; T228-D231 PolarHBondContact O-N 3.24Å; T228-D231 PolarHBondContact OG1-OD2 3.38Å
229	E	83.6	Confident	92.7	Very high	92 Å²	92	44.3 Å²	44.3	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.9	175.7	-75.7	160.7	138.1	0	0	114.2	R169 S170 H172 D231	R169-E229 HydrophobicContact CB-CG 4.12Å; R169-E229 HydrophobicContact CG-CG 3.74Å; S170-E229 WeakPolarHBondContact CB-OE2 3.43Å; S170-E229 PolarHBondContact N-OE1 2.83Å; S170-E229 PolarHBondContact N-OE2 2.95Å; H172-E229 IonicContact CD2-OE1 3.16Å; E229-D231 VanDerWaalsContact C-N 3.33Å
230	E	87.7	Confident	93	Very high	164 Å²	164	41.3 Å²	41.3	77%	0.766	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20	171.4	-55.3	168.6	153.9	0	0	112.8	K189 T228	K189-E230 IonicContact NZ-OE2 3.12Å; T228-E230 PolarHBondContact O-N 3.27Å; T228-E230 PolarHBondContact OG1-OE2 2.96Å
231	D	92.1	Very high	93.2	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	20%	0.195	C	C	.	.	S	Bend	trans	-89.3	139.2	-177.3	-61.7	-66.6	0	0	0	111.8	K189 F227 T228 E229	K189-D231 WeakPolarHBondContact CE-OD1 3.13Å; K189-D231 VanDerWaalsContact CE-OD2 3.26Å; K189-D231 WeakPolarHBondContact CE-OD2 3.27Å; K189-D231 IonicContact NZ-OD1 3.63Å; K189-D231 PolarHBondContact NZ-OD1 3.1Å; K189-D231 IonicContact NZ-OD2 2.62Å; K189-D231 PolarHBondContact NZ-OD2 3.07Å; F227-D231 VanDerWaalsContact CA-OD2 3.24Å; F227-D231 WeakPolarHBondContact CA-OD2 3.45Å; F227-D231 HydrophobicContact CB-CB 4.37Å; F227-D231 HydrophobicContact CD1-CB 3.7Å; T228-D231 PolarHBondContact N-OD2 2.91Å; T228-D231 PolarHBondContact O-N 3.24Å; T228-D231 PolarHBondContact OG1-OD2 3.38Å; E229-D231 VanDerWaalsContact C-N 3.33Å
232	S	92.5	Very high	93.2	Very high	50 Å²	50	36.3 Å²	36.3	35%	0.35	20%	0.197	S	C	.	.			trans	-73.9	152.4	178.8	69.3	0	0	0	0	112.8	A234 E235 L236	S232-A234 PolarHBondContact O-N 3.34Å; S232-E235 VanDerWaalsContact CB-OE2 3.32Å; S232-E235 WeakPolarHBondContact CB-OE2 3.45Å; S232-E235 PolarHBondContact N-OE2 3.2Å; S232-E235 PolarHBondContact O-N 2.56Å; S232-E235 VanDerWaalsContact O-N 3.12Å; S232-E235 VanDerWaalsContact OG-CD 3.31Å; S232-E235 VanDerWaalsContact OG-CG 3.27Å; S232-E235 WeakPolarHBondContact OG-CG 3.22Å; S232-E235 PolarHBondContact OG-N 2.77Å; S232-E235 VanDerWaalsContact OG-N 3.15Å; S232-E235 PolarHBondContact OG-OE2 2.77Å; S232-L236 PolarHBondContact O-N 2.98Å; S232-L236 VanDerWaalsContact O-N 3.14Å
233	M	92.1	Very high	93.1	Very high	24 Å²	24	37.4 Å²	37.4	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-36.2	171.9	-166.1	64.3	74.1	0	0	111.3	E235 L236 C237 N268 L280	M233-E235 PolarHBondContact O-N 3.33Å; M233-L236 PolarHBondContact O-N 3.48Å; M233-L236 HydrophobicContact SD-CD2 4.19Å; M233-C237 WeakPolarHBondContact O-CB 3.19Å; M233-C237 PolarHBondContact O-N 2.91Å; M233-C237 PolarHBondContact O-SG 2.97Å; M233-N268 WeakPolarHBondContact CE-O 3.33Å; M233-L280 WeakPolarHBondContact CG-O 3.32Å
234	A	93.6	Very high	93.3	Very high	36 Å²	36	37 Å²	37	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-40.6	176	0	0	0	0	0	112.9	S232 A238	S232-A234 PolarHBondContact O-N 3.34Å; A234-A238 WeakPolarHBondContact O-CB 3.17Å; A234-A238 PolarHBondContact O-N 3.41Å
235	E	94.3	Very high	93.4	Very high	103 Å²	103	35.1 Å²	35.1	48%	0.481	19%	0.187	S	C	.	.	H	α-helix	trans	-70.2	-41.4	176.8	-74.3	161.9	122.4	0	0	112.3	F227 S232 M233 A238 F239	F227-E235 HydrophobicContact CE1-CB 4.34Å; S232-E235 VanDerWaalsContact CB-OE2 3.32Å; S232-E235 WeakPolarHBondContact CB-OE2 3.45Å; S232-E235 PolarHBondContact N-OE2 3.2Å; S232-E235 PolarHBondContact O-N 2.56Å; S232-E235 VanDerWaalsContact O-N 3.12Å; S232-E235 VanDerWaalsContact OG-CD 3.31Å; S232-E235 VanDerWaalsContact OG-CG 3.27Å; S232-E235 WeakPolarHBondContact OG-CG 3.22Å; S232-E235 PolarHBondContact OG-N 2.77Å; S232-E235 VanDerWaalsContact OG-N 3.15Å; S232-E235 PolarHBondContact OG-OE2 2.77Å; M233-E235 PolarHBondContact O-N 3.33Å; E235-A238 PolarHBondContact O-N 3.3Å; E235-F239 WeakPolarHBondContact O-CB 3.33Å; E235-F239 PolarHBondContact O-N 2.82Å
236	L	94.7	Very high	93.3	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-49.2	172.8	175.7	60.6	0	0	0	110.9	I165 F227 S232 M233 F239 A240 I282 L528	I165-L236 HydrophobicContact CG2-CD1 4Å; F227-L236 HydrophobicContact CB-CD1 4.49Å; F227-L236 HydrophobicContact CD1-CB 3.96Å; F227-L236 HydrophobicContact CD1-CD1 4.16Å; F227-L236 HydrophobicContact CD2-CD1 3.76Å; F227-L236 HydrophobicContact CE1-CB 4.14Å; F227-L236 HydrophobicContact CE1-CD1 4.43Å; F227-L236 HydrophobicContact CE2-CD1 4.06Å; F227-L236 HydrophobicContact CG-CB 4.45Å; F227-L236 HydrophobicContact CG-CD1 3.85Å; F227-L236 HydrophobicContact CZ-CD1 4.39Å; S232-L236 PolarHBondContact O-N 2.98Å; S232-L236 VanDerWaalsContact O-N 3.14Å; M233-L236 PolarHBondContact O-N 3.48Å; M233-L236 HydrophobicContact SD-CD2 4.19Å; L236-F239 PolarHBondContact O-N 3.36Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.42Å; L236-A240 PolarHBondContact O-N 3.27Å; L236-I282 HydrophobicContact CG-CD1 4.49Å; L236-L528 HydrophobicContact CD1-CD1 4.02Å
237	C	96.2	Very high	93.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-47	176.3	-68.6	0	0	0	0	111.5	M233 F239 A240 L241 G281 W289	M233-C237 WeakPolarHBondContact O-CB 3.19Å; M233-C237 PolarHBondContact O-N 2.91Å; M233-C237 PolarHBondContact O-SG 2.97Å; C237-F239 VanDerWaalsContact C-N 3.32Å; C237-F239 PolarHBondContact O-N 3.4Å; C237-A240 PolarHBondContact O-N 3.47Å; C237-L241 HydrophobicContact CB-CD1 4.18Å; C237-L241 VanDerWaalsContact O-CB 3.25Å; C237-L241 WeakPolarHBondContact O-CB 3.25Å; C237-L241 WeakPolarHBondContact O-CG 3.28Å; C237-L241 PolarHBondContact O-N 2.94Å; C237-G281 VanDerWaalsContact SG-C 3.51Å; C237-W289 HydrophobicContact CB-CH2 3.69Å; C237-W289 HydrophobicContact CB-CZ3 4.1Å
238	A	95.4	Very high	93.2	Very high	24 Å²	24	36.5 Å²	36.5	20%	0.198	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-44.8	179	0	0	0	0	0	111.8	P139 A234 E235 T242 W289	P139-A238 HydrophobicContact CB-CB 4.15Å; P139-A238 HydrophobicContact CG-CB 3.46Å; P139-A238 VanDerWaalsContact CG-CB 3.46Å; A234-A238 WeakPolarHBondContact O-CB 3.17Å; A234-A238 PolarHBondContact O-N 3.41Å; E235-A238 PolarHBondContact O-N 3.3Å; A238-T242 WeakPolarHBondContact O-CB 3.4Å; A238-T242 PolarHBondContact O-N 3.15Å; A238-T242 PolarHBondContact O-OG1 2.84Å; A238-W289 HydrophobicContact CB-CH2 4.32Å
239	F	95.1	Very high	93.3	Very high	70 Å²	70	35 Å²	35	31%	0.307	19%	0.186	S	C	.	.	H	α-helix	trans	-71.6	-40	179.7	-168.1	-110	0	0	0	112.5	K163 I165 D224 F227 E235 L236 C237	K163-F239 VanDerWaalsContact NZ-CE1 3.3Å; K163-F239 VanDerWaalsContact NZ-CE2 3.34Å; K163-F239 VanDerWaalsContact NZ-CZ 3.25Å; K163-F239 PolarHBondContact NZ-O 3.14Å; I165-F239 HydrophobicContact CD1-CD1 3.71Å; I165-F239 HydrophobicContact CD1-CE1 4.26Å; I165-F239 HydrophobicContact CG1-CD1 3.94Å; I165-F239 HydrophobicContact CG1-CE1 4Å; D224-F239 WeakPolarHBondContact O-CZ 3.47Å; F227-F239 HydrophobicContact CE2-CB 4.32Å; F227-F239 AromaticContact CE2-CD1 3.62Å; F227-F239 HydrophobicContact CE2-CD1 3.62Å; F227-F239 HydrophobicContact CE2-CE1 4.25Å; F227-F239 HydrophobicContact CE2-CG 4.21Å; F227-F239 HydrophobicContact CZ-CB 3.61Å; F227-F239 AromaticContact CZ-CD1 3.73Å; F227-F239 HydrophobicContact CZ-CD1 3.73Å; F227-F239 AromaticContact CZ-CG 3.82Å; F227-F239 HydrophobicContact CZ-CG 3.82Å; E235-F239 WeakPolarHBondContact O-CB 3.33Å; E235-F239 PolarHBondContact O-N 2.82Å; L236-F239 PolarHBondContact O-N 3.36Å; C237-F239 VanDerWaalsContact C-N 3.32Å; C237-F239 PolarHBondContact O-N 3.4Å
240	A	95.9	Very high	93.7	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-72.2	-42.9	-178.5	0	0	0	0	0	113	I165 L236 C237 L256	I165-A240 HydrophobicContact CD1-CB 3.64Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.42Å; L236-A240 PolarHBondContact O-N 3.27Å; C237-A240 PolarHBondContact O-N 3.47Å; A240-L256 HydrophobicContact CB-CD1 3.8Å
241	L	96.4	Very high	93.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-92.7	-24.5	-165	-66.2	169.6	0	0	0	115.3	C237 D243 I244 I245 L256 I282 A286 W289	C237-L241 HydrophobicContact CB-CD1 4.18Å; C237-L241 VanDerWaalsContact O-CB 3.25Å; C237-L241 WeakPolarHBondContact O-CB 3.25Å; C237-L241 WeakPolarHBondContact O-CG 3.28Å; C237-L241 PolarHBondContact O-N 2.94Å; L241-D243 PolarHBondContact O-N 2.6Å; L241-I244 PolarHBondContact O-N 2.6Å; L241-I245 HydrophobicContact CB-CD1 3.87Å; L241-I245 HydrophobicContact CB-CG1 4.23Å; L241-I245 HydrophobicContact CD1-CD1 4.44Å; L241-I245 PolarHBondContact O-N 3.48Å; L241-L256 HydrophobicContact CD2-CD1 4.16Å; L241-I282 HydrophobicContact CD1-CG2 4.39Å; L241-I282 HydrophobicContact CD2-CG2 3.96Å; L241-I282 HydrophobicContact CG-CG2 4.33Å; L241-A286 HydrophobicContact CD1-CB 3.85Å; L241-A286 HydrophobicContact CD2-CB 3.77Å; L241-A286 HydrophobicContact CG-CB 4.45Å; L241-W289 HydrophobicContact CB-CE3 4.26Å; L241-W289 HydrophobicContact CB-CZ3 4.17Å; L241-W289 HydrophobicContact CD1-CE3 4.04Å; L241-W289 HydrophobicContact CD1-CZ3 3.9Å
242	T	94.2	Very high	93.7	Very high	18 Å²	18	27.4 Å²	27.4	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-49.9	-57.3	-170	-70	0	0	0	0	112.7	T141 L142 A238 I244 Q246	T141-T242 PolarHBondContact OG1-OG1 3.05Å; L142-T242 HydrophobicContact CD1-CG2 4.12Å; L142-T242 VanDerWaalsContact CD1-O 3.22Å; L142-T242 WeakPolarHBondContact CD1-O 3.43Å; A238-T242 WeakPolarHBondContact O-CB 3.4Å; A238-T242 PolarHBondContact O-N 3.15Å; A238-T242 PolarHBondContact O-OG1 2.84Å; T242-I244 VanDerWaalsContact C-N 3.3Å; T242-I244 PolarHBondContact O-N 3.12Å; T242-Q246 PolarHBondContact O-N 3.06Å
243	D	91.6	Very high	93.8	Very high	54 Å²	54	25.8 Å²	25.8	29%	0.289	15%	0.15	S	C	.	.	H	α-helix	trans	-66.6	-31.1	-178.6	-60.3	18.1	0	0	0	112.9	L241 S247 R524	L241-D243 PolarHBondContact O-N 2.6Å; D243-S247 WeakPolarHBondContact O-CB 3.39Å; D243-S247 PolarHBondContact O-N 2.95Å; D243-S247 VanDerWaalsContact O-N 3.08Å; D243-R524 HydrophobicContact CB-CG 4.46Å; D243-R524 IonicContact OD2-CZ 3.96Å; D243-R524 IonicContact OD2-NE 3.94Å; D243-R524 IonicContact OD2-NH2 2.67Å; D243-R524 PolarHBondContact OD2-NH2 3.01Å
244	I	95.3	Very high	93.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-75.9	-53.2	-173.6	-71	-177.5	0	0	0	110.4	L241 T242 Q246 S247 V248 L256 L443 R524 C526	L241-I244 PolarHBondContact O-N 2.6Å; T242-I244 VanDerWaalsContact C-N 3.3Å; T242-I244 PolarHBondContact O-N 3.12Å; I244-Q246 PolarHBondContact O-N 3.19Å; I244-S247 WeakPolarHBondContact O-CB 3.18Å; I244-S247 PolarHBondContact O-N 2.9Å; I244-V248 WeakPolarHBondContact O-CG2 3.44Å; I244-V248 PolarHBondContact O-N 3.31Å; I244-L256 HydrophobicContact CD1-CB 4.2Å; I244-L443 HydrophobicContact CG2-CD1 3.39Å; I244-R524 HydrophobicContact CG1-CG 4.11Å; I244-C526 HydrophobicContact CD1-CB 3.54Å
245	I	96.6	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-40	-179.4	-63.7	178.6	0	0	0	109.8	L142 L241 V248 V249 A286 W289 L290 L293	L142-I245 HydrophobicContact CD1-CB 4.37Å; L142-I245 HydrophobicContact CD2-CG2 4.29Å; L241-I245 HydrophobicContact CB-CD1 3.87Å; L241-I245 HydrophobicContact CB-CG1 4.23Å; L241-I245 HydrophobicContact CD1-CD1 4.44Å; L241-I245 PolarHBondContact O-N 3.48Å; I245-V248 PolarHBondContact O-N 3.27Å; I245-V249 HydrophobicContact CG2-CG2 4.44Å; I245-V249 WeakPolarHBondContact O-CG2 3.41Å; I245-V249 PolarHBondContact O-N 3.14Å; I245-A286 HydrophobicContact CD1-CB 4.37Å; I245-W289 HydrophobicContact CD1-CB 3.79Å; I245-W289 HydrophobicContact CD1-CE3 4.26Å; I245-L290 HydrophobicContact CG2-CB 4.24Å; I245-L290 HydrophobicContact CG2-CD1 4Å; I245-L293 HydrophobicContact CG2-CD2 3.99Å
246	Q	92.8	Very high	94.2	Very high	31 Å²	31	18 Å²	18	15%	0.145	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-35.9	175.6	-173.7	166.2	5.4	0	0	113.2	W145 T242 I244 V248 N250	W145-Q246 VanDerWaalsContact CE3-OE1 3.32Å; T242-Q246 PolarHBondContact O-N 3.06Å; I244-Q246 PolarHBondContact O-N 3.19Å; Q246-V248 VanDerWaalsContact C-N 3.32Å; Q246-V248 PolarHBondContact O-N 2.88Å; Q246-N250 VanDerWaalsContact CG-ND2 3.33Å; Q246-N250 WeakPolarHBondContact CG-ND2 3.27Å; Q246-N250 PolarHBondContact O-N 2.69Å; Q246-N250 PolarHBondContact O-ND2 3.46Å
247	S	91.5	Very high	94.2	Very high	25 Å²	25	17.9 Å²	17.9	18%	0.175	11%	0.107	C	C	.	.	H	α-helix	trans	-57.1	-48.2	171.7	-176.1	0	0	0	0	110.9	D243 I244 N250 G251 S252 D253	D243-S247 WeakPolarHBondContact O-CB 3.39Å; D243-S247 PolarHBondContact O-N 2.95Å; D243-S247 VanDerWaalsContact O-N 3.08Å; I244-S247 WeakPolarHBondContact O-CB 3.18Å; I244-S247 PolarHBondContact O-N 2.9Å; S247-N250 CarbonylContact O-C 3.57Å; S247-N250 PolarHBondContact O-N 3.02Å; S247-G251 PolarHBondContact O-N 2.91Å; S247-S252 CarbonylContact C-O 3.59Å; S247-S252 PolarHBondContact O-N 2.78Å; S247-S252 VanDerWaalsContact O-O 3.08Å; S247-S252 WeakPolarHBondContact OG-CB 3.21Å; S247-S252 PolarHBondContact OG-O 3.32Å; S247-D253 PolarHBondContact OG-O 3.41Å
248	V	95	Very high	94	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.4	-47	-176.5	172.6	0	0	0	0	112.1	I244 I245 Q246 N250 G251 S252 L290 I422 S441 L443	I244-V248 WeakPolarHBondContact O-CG2 3.44Å; I244-V248 PolarHBondContact O-N 3.31Å; I245-V248 PolarHBondContact O-N 3.27Å; Q246-V248 VanDerWaalsContact C-N 3.32Å; Q246-V248 PolarHBondContact O-N 2.88Å; V248-N250 PolarHBondContact O-N 2.68Å; V248-G251 PolarHBondContact O-N 3.32Å; V248-S252 VanDerWaalsContact CA-O 3.28Å; V248-S252 WeakPolarHBondContact CA-O 3.39Å; V248-S252 PolarHBondContact N-O 3.38Å; V248-L290 HydrophobicContact CG1-CD1 4.17Å; V248-I422 HydrophobicContact CG1-CB 4.27Å; V248-I422 HydrophobicContact CG1-CD1 3.46Å; V248-I422 VanDerWaalsContact CG1-CD1 3.46Å; V248-I422 HydrophobicContact CG1-CG1 3.73Å; V248-S441 PolarHBondContact O-OG 2.94Å; V248-L443 HydrophobicContact CG1-CB 4.28Å; V248-L443 HydrophobicContact CG2-CB 4.04Å; V248-L443 HydrophobicContact CG2-CD1 4.42Å
249	V	93.8	Very high	93.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70	-13.4	179.3	177.8	0	0	0	0	112.9	I245 L290 L293 I294 Q297 F305	I245-V249 HydrophobicContact CG2-CG2 4.44Å; I245-V249 WeakPolarHBondContact O-CG2 3.41Å; I245-V249 PolarHBondContact O-N 3.14Å; V249-L290 HydrophobicContact CG2-CD1 3.47Å; V249-L290 VanDerWaalsContact CG2-CD1 3.47Å; V249-L293 HydrophobicContact CB-CD2 4.12Å; V249-L293 HydrophobicContact CG1-CD2 4.34Å; V249-L293 HydrophobicContact CG1-CG 4.34Å; V249-L293 HydrophobicContact CG2-CB 4.47Å; V249-L293 HydrophobicContact CG2-CD2 4.08Å; V249-I294 HydrophobicContact CG1-CG1 4.47Å; V249-I294 HydrophobicContact CG2-CG1 3.88Å; V249-Q297 HydrophobicContact CG1-CB 3.86Å; V249-Q297 HydrophobicContact CG1-CG 3.92Å; V249-Q297 PolarHBondContact O-NE2 3.44Å; V249-F305 HydrophobicContact CG1-CZ 4.46Å
250	N	90.2	Very high	93.1	Very high	72 Å²	72	13.5 Å²	13.5	39%	0.385	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	20	169.6	-65.7	-67.3	0	0	0	113.2	Q246 S247 V248 Q297	Q246-N250 VanDerWaalsContact CG-ND2 3.33Å; Q246-N250 WeakPolarHBondContact CG-ND2 3.27Å; Q246-N250 PolarHBondContact O-N 2.69Å; Q246-N250 PolarHBondContact O-ND2 3.46Å; S247-N250 CarbonylContact O-C 3.57Å; S247-N250 PolarHBondContact O-N 3.02Å; V248-N250 PolarHBondContact O-N 2.68Å; N250-Q297 PolarHBondContact OD1-NE2 3.49Å
251	G	90	Very high	92.1	Very high	27 Å²	27	13.7 Å²	13.7	28%	0.278	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	27.4	169.2	0	0	0	0	0	115.2	S247 V248	S247-G251 PolarHBondContact O-N 2.91Å; V248-G251 PolarHBondContact O-N 3.32Å
252	S	91.2	Very high	90.8	Very high	34 Å²	34	16.5 Å²	16.5	24%	0.238	10%	0.095	C	C	.	.			trans	-127.4	129.1	173.7	-64.3	0	0	0	0	110.9	S247 V248	S247-S252 CarbonylContact C-O 3.59Å; S247-S252 PolarHBondContact O-N 2.78Å; S247-S252 VanDerWaalsContact O-O 3.08Å; S247-S252 WeakPolarHBondContact OG-CB 3.21Å; S247-S252 PolarHBondContact OG-O 3.32Å; V248-S252 VanDerWaalsContact CA-O 3.28Å; V248-S252 WeakPolarHBondContact CA-O 3.39Å; V248-S252 PolarHBondContact N-O 3.38Å
253	D	93.4	Very high	89.1	Confident	16 Å²	16	17.2 Å²	17.2	9%	0.086	10%	0.098	C	C	.	.			trans	-47.6	146.4	-178.4	-74.6	-12.9	0	0	0	113.1	S247 R442 S520 C523 R524	S247-D253 PolarHBondContact OG-O 3.41Å; D253-R442 CarbonylContact C-O 3.58Å; D253-R442 WeakPolarHBondContact CA-O 3.49Å; D253-R442 PolarHBondContact OD1-N 3.32Å; D253-R442 IonicContact OD1-NE 3.62Å; D253-R442 IonicContact OD2-CZ 2.71Å; D253-R442 IonicContact OD2-NE 2.69Å; D253-R442 PolarHBondContact OD2-NE 3.16Å; D253-R442 IonicContact OD2-NH2 3.57Å; D253-R442 PolarHBondContact OD2-NH2 3.18Å; D253-S520 WeakPolarHBondContact OD2-CB 3.35Å; D253-S520 PolarHBondContact OD2-OG 3.08Å; D253-C523 HydrophobicContact CB-CB 4.17Å; D253-C523 CarbonylContact O-C 3.56Å; D253-C523 WeakPolarHBondContact O-CA 3.43Å; D253-R524 PolarHBondContact O-N 3.29Å
254	G	95.4	Very high	87.3	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.3	175	0	0	0	0	0	110.4	R442 L443 H444 R524	G254-R442 PolarHBondContact N-O 3.38Å; G254-L443 WeakPolarHBondContact O-CA 3.24Å; G254-H444 PolarHBondContact O-N 2.9Å; G254-R524 WeakPolarHBondContact CA-O 3.29Å
255	C	96	Very high	85.7	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	128.3	-178.8	178.5	0	0	0	0	110.5	H444 C523 R524 T525 C526	C255-H444 CarbonylContact C-O 3.56Å; C255-H444 VanDerWaalsContact CA-O 3.32Å; C255-H444 WeakPolarHBondContact CA-O 3.42Å; C255-H444 HydrophobicContact CB-CB 4.25Å; C255-C523 VanDerWaalsContact CB-SG 3.53Å; C255-R524 PolarHBondContact N-O 2.97Å; C255-T525 HydrophobicContact CB-CG2 4.35Å; C255-T525 CarbonylContact O-C 3.57Å; C255-T525 WeakPolarHBondContact O-CA 3.48Å; C255-C526 PolarHBondContact O-N 2.96Å
256	L	97.2	Very high	84.5	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.2	168.7	-171.4	150.9	0	0	0	108.9	A240 L241 I244 M270 I282 H444 L445 I446 C526	A240-L256 HydrophobicContact CB-CD1 3.8Å; L241-L256 HydrophobicContact CD2-CD1 4.16Å; I244-L256 HydrophobicContact CD1-CB 4.2Å; L256-M270 HydrophobicContact CD2-CE 3.95Å; L256-M270 HydrophobicContact CD2-SD 3.72Å; L256-I282 HydrophobicContact CD1-CD1 4.45Å; L256-I282 HydrophobicContact CD1-CG2 3.64Å; L256-I282 HydrophobicContact CD2-CD1 4.4Å; L256-I282 HydrophobicContact CD2-CG2 4Å; L256-I282 HydrophobicContact CG-CG2 4.42Å; L256-H444 PolarHBondContact N-O 3.38Å; L256-L445 HydrophobicContact CB-CD2 3.93Å; L256-I446 PolarHBondContact O-N 2.86Å; L256-C526 WeakPolarHBondContact CA-O 3.44Å; L256-C526 HydrophobicContact CG-CB 4.43Å
257	I	94.6	Very high	83.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.6	-176.8	-42.2	176.1	0	0	0	109.1	F259 I446 L448 I518 T525 C526 I527 L528	I257-F259 HydrophobicContact CG2-CD1 3.96Å; I257-F259 HydrophobicContact CG2-CE1 4.25Å; I257-I446 HydrophobicContact CG1-CD1 4.5Å; I257-I446 HydrophobicContact CG2-CB 4.42Å; I257-I446 HydrophobicContact CG2-CG2 4.41Å; I257-L448 HydrophobicContact CG2-CD1 3.65Å; I257-L448 HydrophobicContact CG2-CG 4.15Å; I257-I518 HydrophobicContact CD1-CD1 3.45Å; I257-I518 VanDerWaalsContact CD1-CD1 3.45Å; I257-I518 HydrophobicContact CD1-CG1 4Å; I257-T525 HydrophobicContact CD1-CG2 4.13Å; I257-T525 HydrophobicContact CG1-CG2 4.47Å; I257-C526 PolarHBondContact N-O 2.91Å; I257-I527 WeakPolarHBondContact O-CA 3.2Å; I257-L528 PolarHBondContact O-N 3.44Å
258	S	92.4	Very high	83.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.3	165.9	147	0	0	0	0	109.9	I446 D447 L448 Q530	S258-I446 PolarHBondContact N-O 2.92Å; S258-D447 VanDerWaalsContact CB-OD1 3.26Å; S258-D447 WeakPolarHBondContact CB-OD1 3.47Å; S258-D447 PolarHBondContact OG-OD1 2.87Å; S258-L448 VanDerWaalsContact O-CB 3.31Å; S258-L448 WeakPolarHBondContact O-CB 3.22Å; S258-L448 WeakPolarHBondContact O-CG 3.1Å; S258-L448 PolarHBondContact O-N 3.36Å; S258-Q530 PolarHBondContact OG-OE1 3.49Å
259	F	88.9	Confident	83.1	Confident	1 Å²	1	18.3 Å²	18.3	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.4	154.1	52.8	-90.1	0	0	0	111.8	I257 L448 L486 M489 T490 I527 L528 I529 Q530 L544 F547	I257-F259 HydrophobicContact CG2-CD1 3.96Å; I257-F259 HydrophobicContact CG2-CE1 4.25Å; F259-L448 HydrophobicContact CB-CB 4.16Å; F259-L448 HydrophobicContact CB-CD1 4.43Å; F259-L448 HydrophobicContact CD1-CD1 4.12Å; F259-L486 HydrophobicContact CD2-CD1 4.45Å; F259-M489 HydrophobicContact CB-CE 3.66Å; F259-M489 HydrophobicContact CD2-CE 4.04Å; F259-M489 HydrophobicContact CG-CE 3.89Å; F259-T490 HydrophobicContact CE2-CG2 3.72Å; F259-T490 HydrophobicContact CZ-CG2 4.23Å; F259-I527 HydrophobicContact CD1-CG2 4.37Å; F259-I527 HydrophobicContact CE1-CG2 3.6Å; F259-I527 HydrophobicContact CZ-CG2 3.79Å; F259-L528 PolarHBondContact N-O 2.95Å; F259-L528 VanDerWaalsContact N-O 3.11Å; F259-I529 WeakPolarHBondContact O-CA 3.48Å; F259-Q530 PolarHBondContact O-N 3.27Å; F259-L544 HydrophobicContact CD2-CD2 3.79Å; F259-L544 HydrophobicContact CE2-CD2 3.66Å; F259-F547 HydrophobicContact CE2-CD1 4.39Å; F259-F547 AromaticContact CE2-CE1 3.98Å; F259-F547 HydrophobicContact CE2-CE1 3.98Å; F259-F547 HydrophobicContact CZ-CD1 4.33Å; F259-F547 AromaticContact CZ-CE1 3.5Å; F259-F547 HydrophobicContact CZ-CE1 3.5Å; F259-F547 VanDerWaalsContact CZ-CE1 3.5Å; F259-F547 AromaticContact CZ-CZ 3.74Å; F259-F547 HydrophobicContact CZ-CZ 3.74Å
260	G	83.2	Confident	83	Confident	2 Å²	2	18.3 Å²	18.3	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-176.5	-170.1	0	0	0	0	0	114.4	K266 N450 Q530	G260-K266 VanDerWaalsContact C-CE 3.5Å; G260-K266 WeakPolarHBondContact O-CE 3.21Å; G260-K266 PolarHBondContact O-NZ 2.84Å; G260-N450 PolarHBondContact O-OD1 2.87Å; G260-Q530 CarbonylContact C-O 3.5Å; G260-Q530 WeakPolarHBondContact CA-O 3.4Å
261	T	75.5	Confident	83.1	Confident	6 Å²	6	15.1 Å²	15.1	4%	0.037	9%	0.09	C	C	.	.	S	Bend	trans	-88.9	-19	-173.5	59.1	0	0	0	0	115.3	N450 Q530 E540 L544	T261-N450 PolarHBondContact O-ND2 3.42Å; T261-Q530 PolarHBondContact N-O 2.72Å; T261-Q530 VanDerWaalsContact N-O 3.09Å; T261-E540 HydrophobicContact CG2-CB 3.66Å; T261-L544 HydrophobicContact CG2-CD1 3.85Å
262	R	67.3	Low	83.2	Confident	59 Å²	59	14.7 Å²	14.7	22%	0.223	9%	0.086	C	C	.	.			trans	-136.2	130.4	-174.6	-177.7	174.1	176.9	-137.7	-7.7	110.6	S170 D171 I265	S170-R262 PolarHBondContact O-NH1 3.22Å; D171-R262 WeakPolarHBondContact OD1-CD 3.4Å; D171-R262 IonicContact OD1-CZ 2.7Å; D171-R262 IonicContact OD1-NE 2.7Å; D171-R262 IonicContact OD1-NH1 2.63Å; D171-R262 PolarHBondContact OD1-NH1 2.97Å; R262-I265 HydrophobicContact CB-CD1 4.04Å; R262-I265 HydrophobicContact CB-CG1 4.34Å; R262-I265 HydrophobicContact CG-CD1 4.32Å; R262-I265 HydrophobicContact CG-CG1 4.32Å
263	D	59.8	Low	83	Confident	33 Å²	33	14.8 Å²	14.8	18%	0.176	8%	0.084	C	C	.	.	H	α-helix	trans	-75	-38.5	-165.8	-58.6	-55.3	0	0	0	114	I265 K266 S267 N450	D263-I265 PolarHBondContact O-N 3.49Å; D263-K266 WeakPolarHBondContact O-CB 3.45Å; D263-K266 PolarHBondContact O-N 3.24Å; D263-K266 VanDerWaalsContact O-N 3.08Å; D263-K266 WeakPolarHBondContact OD1-CE 3.36Å; D263-K266 IonicContact OD1-NZ 2.77Å; D263-K266 PolarHBondContact OD1-NZ 2.97Å; D263-S267 PolarHBondContact O-N 3.24Å; D263-N450 VanDerWaalsContact CG-ND2 3.31Å; D263-N450 WeakPolarHBondContact OD1-CB 3.28Å; D263-N450 PolarHBondContact OD1-N 2.75Å; D263-N450 PolarHBondContact OD1-ND2 3.06Å; D263-N450 WeakPolarHBondContact OD2-CB 3.08Å; D263-N450 PolarHBondContact OD2-ND2 3.08Å
264	S	54.1	Low	82.7	Confident	45 Å²	45	16.4 Å²	16.4	32%	0.315	9%	0.093	S	C	.	.	H	α-helix	trans	-61.2	-29.3	177.1	56.7	0	0	0	0	113.5	N268	S264-N268 WeakPolarHBondContact O-CB 3.38Å; S264-N268 PolarHBondContact O-N 3.49Å
265	I	60	Low	82.3	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-69.5	-39	176.2	-62.3	178	0	0	0	111	R169 R262 D263 S269 Q530	R169-I265 HydrophobicContact CB-CD1 3.94Å; R169-I265 HydrophobicContact CB-CG1 4.17Å; R169-I265 HydrophobicContact CB-CG2 4.37Å; R262-I265 HydrophobicContact CB-CD1 4.04Å; R262-I265 HydrophobicContact CB-CG1 4.34Å; R262-I265 HydrophobicContact CG-CD1 4.32Å; R262-I265 HydrophobicContact CG-CG1 4.32Å; D263-I265 PolarHBondContact O-N 3.49Å; I265-S269 PolarHBondContact O-N 3.02Å; I265-S269 PolarHBondContact O-OG 2.88Å; I265-Q530 HydrophobicContact CG2-CB 3.96Å; I265-Q530 PolarHBondContact O-NE2 3.37Å
266	K	72.1	Confident	81.7	Confident	2 Å²	2	26 Å²	26	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-66.7	-173.7	-61.5	170	-164.2	173.2	0	111	G260 D263 N268 S269 M270 L448 N450	G260-K266 VanDerWaalsContact C-CE 3.5Å; G260-K266 WeakPolarHBondContact O-CE 3.21Å; G260-K266 PolarHBondContact O-NZ 2.84Å; D263-K266 WeakPolarHBondContact O-CB 3.45Å; D263-K266 PolarHBondContact O-N 3.24Å; D263-K266 VanDerWaalsContact O-N 3.08Å; D263-K266 WeakPolarHBondContact OD1-CE 3.36Å; D263-K266 IonicContact OD1-NZ 2.77Å; D263-K266 PolarHBondContact OD1-NZ 2.97Å; K266-N268 VanDerWaalsContact C-N 3.34Å; K266-N268 PolarHBondContact O-N 2.83Å; K266-S269 PolarHBondContact O-N 2.95Å; K266-M270 PolarHBondContact O-N 2.85Å; K266-L448 WeakPolarHBondContact CD-O 3.41Å; K266-L448 PolarHBondContact NZ-O 3.1Å; K266-N450 VanDerWaalsContact NZ-CG 3.32Å; K266-N450 PolarHBondContact NZ-OD1 3.37Å
267	S	76.8	Confident	81.2	Confident	15 Å²	15	27.9 Å²	27.9	11%	0.105	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-35.1	-173.2	-55.5	0	0	0	0	112	D263 S269 M270 F271 D447	D263-S267 PolarHBondContact O-N 3.24Å; S267-S269 PolarHBondContact O-N 2.96Å; S267-M270 PolarHBondContact O-N 2.86Å; S267-F271 WeakPolarHBondContact O-CD2 3.38Å; S267-F271 PolarHBondContact O-N 3.42Å; S267-D447 WeakPolarHBondContact CA-OD2 3.42Å; S267-D447 PolarHBondContact OG-OD2 3.34Å
268	N	83.3	Confident	80.8	Confident	68 Å²	68	30.8 Å²	30.8	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-57.1	-32.2	171.2	-178	-65.7	0	0	0	112.2	R169 M233 S264 K266 G272	R169-N268 VanDerWaalsContact CZ-OD1 3.27Å; R169-N268 PolarHBondContact NH1-OD1 3.2Å; R169-N268 PolarHBondContact NH2-OD1 3.08Å; M233-N268 WeakPolarHBondContact CE-O 3.33Å; S264-N268 WeakPolarHBondContact O-CB 3.38Å; S264-N268 PolarHBondContact O-N 3.49Å; K266-N268 VanDerWaalsContact C-N 3.34Å; K266-N268 PolarHBondContact O-N 2.83Å; N268-G272 WeakPolarHBondContact O-CA 3.42Å; N268-G272 PolarHBondContact O-N 3Å
269	S	90.1	Very high	80.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-88.4	-27	178.7	-43.7	0	0	0	0	113.2	Q167 R169 I265 K266 S267 I282 Q530	Q167-S269 PolarHBondContact NE2-OG 2.85Å; Q167-S269 PolarHBondContact OE1-OG 2.8Å; R169-S269 PolarHBondContact NH1-OG 3.45Å; I265-S269 PolarHBondContact O-N 3.02Å; I265-S269 PolarHBondContact O-OG 2.88Å; K266-S269 PolarHBondContact O-N 2.95Å; S267-S269 PolarHBondContact O-N 2.96Å; S269-I282 WeakPolarHBondContact O-CG1 3.48Å; S269-I282 PolarHBondContact O-N 3.31Å; S269-Q530 VanDerWaalsContact CB-NE2 3.29Å; S269-Q530 PolarHBondContact OG-NE2 2.89Å
270	M	92.7	Very high	80.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-76.6	-39.7	175.4	-68.3	-64	-73.4	0	0	112.3	L256 K266 S267 I282 I283 D447	L256-M270 HydrophobicContact CD2-CE 3.95Å; L256-M270 HydrophobicContact CD2-SD 3.72Å; K266-M270 PolarHBondContact O-N 2.85Å; S267-M270 PolarHBondContact O-N 2.86Å; M270-I282 PolarHBondContact O-N 3.22Å; M270-I282 HydrophobicContact SD-CB 4.34Å; M270-I282 HydrophobicContact SD-CD1 4.21Å; M270-I282 HydrophobicContact SD-CG2 4.41Å; M270-I283 HydrophobicContact CB-CD1 4.43Å; M270-I283 HydrophobicContact CE-CD1 4.1Å; M270-I283 HydrophobicContact CE-CG1 4.11Å; M270-I283 WeakPolarHBondContact O-CB 3.2Å; M270-I283 WeakPolarHBondContact O-CG1 3.23Å; M270-I283 PolarHBondContact O-N 3Å; M270-D447 HydrophobicContact CB-CB 4.46Å; M270-D447 HydrophobicContact CE-CB 4.3Å; M270-D447 HydrophobicContact CG-CB 4.03Å
271	F	91.7	Very high	81.4	Confident	4 Å²	4	31 Å²	31	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-101.9	-41.8	-178.6	-48.8	-67.2	0	0	0	112.9	F127 S267 G281 I283 P284 L372 L376 W410 L416	F127-F271 WeakPolarHBondContact CE1-O 3.35Å; F127-F271 HydrophobicContact CE2-CB 4.16Å; F127-F271 HydrophobicContact CZ-CB 3.94Å; F127-F271 VanDerWaalsContact CZ-O 3.32Å; F127-F271 WeakPolarHBondContact CZ-O 3.39Å; S267-F271 WeakPolarHBondContact O-CD2 3.38Å; S267-F271 PolarHBondContact O-N 3.42Å; F271-G281 WeakPolarHBondContact O-CA 3.2Å; F271-G281 PolarHBondContact O-N 2.9Å; F271-I283 HydrophobicContact CD1-CD1 4.07Å; F271-I283 HydrophobicContact CE1-CD1 3.65Å; F271-I283 HydrophobicContact CZ-CD1 4.43Å; F271-P284 WeakPolarHBondContact O-CG 3.45Å; F271-L372 HydrophobicContact CD1-CD1 4.29Å; F271-L372 HydrophobicContact CE1-CD1 4.19Å; F271-L376 HydrophobicContact CD1-CD1 4.04Å; F271-L376 HydrophobicContact CD1-CD2 4.06Å; F271-L376 HydrophobicContact CE1-CD1 4.47Å; F271-L376 HydrophobicContact CE1-CD2 3.72Å; F271-L376 HydrophobicContact CG-CD1 4.27Å; F271-L376 HydrophobicContact CZ-CD2 4.32Å; F271-W410 HydrophobicContact CD2-CZ2 4.13Å; F271-W410 AromaticContact CD2-NE1 3.92Å; F271-W410 HydrophobicContact CE1-CZ2 4.03Å; F271-W410 AromaticContact CE2-CE2 3.51Å; F271-W410 HydrophobicContact CE2-CH2 4.31Å; F271-W410 AromaticContact CE2-CZ2 3.32Å; F271-W410 HydrophobicContact CE2-CZ2 3.32Å; F271-W410 AromaticContact CE2-NE1 3.44Å; F271-W410 AromaticContact CZ-CE2 3.91Å; F271-W410 AromaticContact CZ-CH2 3.86Å; F271-W410 HydrophobicContact CZ-CH2 3.86Å; F271-W410 AromaticContact CZ-CZ2 3.26Å; F271-W410 HydrophobicContact CZ-CZ2 3.26Å; F271-L416 HydrophobicContact CE1-CD2 3.7Å; F271-L416 HydrophobicContact CZ-CD2 3.56Å
272	G	90.6	Very high	82.5	Confident	18 Å²	18	30.8 Å²	30.8	19%	0.186	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	82.8	-161.9	-176	0	0	0	0	0	113.9	N268 G279	N268-G272 WeakPolarHBondContact O-CA 3.42Å; N268-G272 PolarHBondContact O-N 3Å; G272-G279 CarbonylContact C-O 3.11Å; G272-G279 WeakPolarHBondContact CA-O 3.49Å
273	D	87	Confident	83.9	Confident	37 Å²	37	28 Å²	28	20%	0.198	16%	0.16	C	C	.	.			trans	-95.6	153.4	160.8	84.7	58.7	0	0	0	111.1	K275 Q276 G279 L280	D273-K275 WeakPolarHBondContact OD1-CA 3.19Å; D273-K275 WeakPolarHBondContact OD1-CB 3.47Å; D273-K275 PolarHBondContact OD1-N 2.87Å; D273-Q276 WeakPolarHBondContact OD1-CG 3.39Å; D273-Q276 PolarHBondContact OD1-N 2.91Å; D273-Q276 WeakPolarHBondContact OD2-CG 3.34Å; D273-Q276 PolarHBondContact OD2-NE2 2.7Å; D273-G279 PolarHBondContact N-O 3.35Å; D273-G279 CarbonylContact O-C 3.41Å; D273-G279 WeakPolarHBondContact OD2-CA 3.37Å; D273-L280 PolarHBondContact O-N 3.47Å
274	D	88.7	Confident	85.7	Confident	50 Å²	50	26.4 Å²	26.4	27%	0.267	15%	0.151	S	C	.	.	S	Bend	trans	-107.1	21.7	176.1	65.1	-28.2	0	0	0	112.2	T125 G126 F127 V130	T125-D274 VanDerWaalsContact CA-OD2 3.25Å; T125-D274 WeakPolarHBondContact CA-OD2 3.42Å; G126-D274 PolarHBondContact N-OD2 2.68Å; F127-D274 HydrophobicContact CD1-CB 3.84Å; F127-D274 HydrophobicContact CE1-CB 3.69Å; F127-D274 HydrophobicContact CZ-CB 4.23Å; V130-D274 HydrophobicContact CG2-CB 4.28Å; V130-D274 WeakPolarHBondContact CG2-O 3.33Å
275	K	87	Confident	87.7	Confident	108 Å²	108	24.3 Å²	24.3	47%	0.47	14%	0.137	S	C	.	.	S	Bend	trans	-94.3	-32.5	176.7	-64.6	168.7	173.1	168.4	0	111.7	D273 S404 S405	D273-K275 WeakPolarHBondContact OD1-CA 3.19Å; D273-K275 WeakPolarHBondContact OD1-CB 3.47Å; D273-K275 PolarHBondContact OD1-N 2.87Å; K275-S404 WeakPolarHBondContact CE-O 3.45Å; K275-S404 VanDerWaalsContact NZ-C 3.3Å; K275-S404 PolarHBondContact NZ-O 3.2Å; K275-S404 PolarHBondContact NZ-OG 3.17Å; K275-S405 WeakPolarHBondContact CE-OG 3.46Å; K275-S405 PolarHBondContact NZ-OG 2.89Å
276	Q	83.6	Confident	89.5	Confident	92 Å²	92	24.1 Å²	24.1	43%	0.43	14%	0.136	S	C	.	.			trans	-144.6	141.9	-170.6	45.3	163.9	-6.5	0	0	112.3	D273 S278 G279 L280	D273-Q276 WeakPolarHBondContact OD1-CG 3.39Å; D273-Q276 PolarHBondContact OD1-N 2.91Å; D273-Q276 WeakPolarHBondContact OD2-CG 3.34Å; D273-Q276 PolarHBondContact OD2-NE2 2.7Å; Q276-S278 PolarHBondContact O-N 2.9Å; Q276-S278 VanDerWaalsContact O-N 3.07Å; Q276-S278 PolarHBondContact OE1-OG 3.24Å; Q276-G279 PolarHBondContact O-N 2.91Å; Q276-L280 PolarHBondContact O-N 3.05Å
277	S	85	Confident	90.8	Very high	41 Å²	41	24 Å²	24	29%	0.287	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.2	178.7	66.8	0	0	0	0	114.7	H134	H134-S277 WeakPolarHBondContact O-CB 3.09Å
278	S	86.9	Confident	91.8	Very high	61 Å²	61	23.7 Å²	23.7	43%	0.427	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.2	173.9	31.9	0	0	0	0	114.3	Q276	Q276-S278 PolarHBondContact O-N 2.9Å; Q276-S278 VanDerWaalsContact O-N 3.07Å; Q276-S278 PolarHBondContact OE1-OG 3.24Å
279	G	89.2	Confident	92.4	Very high	7 Å²	7	20.6 Å²	20.6	7%	0.072	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.8	-179.6	0	0	0	0	0	114.2	G272 D273 Q276 G281	G272-G279 CarbonylContact C-O 3.11Å; G272-G279 WeakPolarHBondContact CA-O 3.49Å; D273-G279 PolarHBondContact N-O 3.35Å; D273-G279 CarbonylContact O-C 3.41Å; D273-G279 WeakPolarHBondContact OD2-CA 3.37Å; Q276-G279 PolarHBondContact O-N 2.91Å; G279-G281 PolarHBondContact O-N 2.84Å
280	L	94.3	Very high	92.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-55.4	125.3	179.6	-67.4	175.4	0	0	0	112.3	F127 V130 I131 P136 M233 D273 Q276 P284 S285	F127-L280 HydrophobicContact CD1-CD2 3.55Å; F127-L280 HydrophobicContact CE1-CD2 3.81Å; V130-L280 HydrophobicContact CB-CD2 4.34Å; V130-L280 HydrophobicContact CG1-CD1 3.97Å; V130-L280 HydrophobicContact CG1-CD2 4Å; V130-L280 HydrophobicContact CG1-CG 4.23Å; I131-L280 HydrophobicContact CG1-CD1 4.45Å; P136-L280 HydrophobicContact CB-CD1 4.03Å; P136-L280 HydrophobicContact CG-CD1 3.72Å; M233-L280 WeakPolarHBondContact CG-O 3.32Å; D273-L280 PolarHBondContact O-N 3.47Å; Q276-L280 PolarHBondContact O-N 3.05Å; L280-P284 HydrophobicContact CB-CB 4.41Å; L280-P284 HydrophobicContact CB-CG 4.11Å; L280-P284 HydrophobicContact CD2-CB 3.99Å; L280-P284 HydrophobicContact CD2-CG 4.06Å; L280-S285 PolarHBondContact O-OG 2.91Å
281	G	94.7	Very high	93	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.			trans	-77.7	-170.4	-178.8	0	0	0	0	0	113.6	C237 F271 G279 I283 P284 S285	C237-G281 VanDerWaalsContact SG-C 3.51Å; F271-G281 WeakPolarHBondContact O-CA 3.2Å; F271-G281 PolarHBondContact O-N 2.9Å; G279-G281 PolarHBondContact O-N 2.84Å; G281-I283 PolarHBondContact O-N 3.07Å; G281-P284 WeakPolarHBondContact O-CD 3.24Å; G281-S285 WeakPolarHBondContact O-CB 3.37Å; G281-S285 PolarHBondContact O-N 3.3Å; G281-S285 PolarHBondContact O-OG 3.38Å
282	I	96.9	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-41.1	-171.6	-69.6	169.4	0	0	0	112.6	L236 L241 L256 S269 M270 A286 L528	L236-I282 HydrophobicContact CG-CD1 4.49Å; L241-I282 HydrophobicContact CD1-CG2 4.39Å; L241-I282 HydrophobicContact CD2-CG2 3.96Å; L241-I282 HydrophobicContact CG-CG2 4.33Å; L256-I282 HydrophobicContact CD1-CD1 4.45Å; L256-I282 HydrophobicContact CD1-CG2 3.64Å; L256-I282 HydrophobicContact CD2-CD1 4.4Å; L256-I282 HydrophobicContact CD2-CG2 4Å; L256-I282 HydrophobicContact CG-CG2 4.42Å; S269-I282 WeakPolarHBondContact O-CG1 3.48Å; S269-I282 PolarHBondContact O-N 3.31Å; M270-I282 PolarHBondContact O-N 3.22Å; M270-I282 HydrophobicContact SD-CB 4.34Å; M270-I282 HydrophobicContact SD-CD1 4.21Å; M270-I282 HydrophobicContact SD-CG2 4.41Å; I282-A286 WeakPolarHBondContact O-CB 3.27Å; I282-A286 PolarHBondContact O-N 3.42Å; I282-L528 HydrophobicContact CD1-CD2 3.57Å
283	I	97.4	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.3	-56	-178.1	-57	179.9	0	0	0	112.4	M270 F271 G281 S285 A286 I287 L372 F418 L445	M270-I283 HydrophobicContact CB-CD1 4.43Å; M270-I283 HydrophobicContact CE-CD1 4.1Å; M270-I283 HydrophobicContact CE-CG1 4.11Å; M270-I283 WeakPolarHBondContact O-CB 3.2Å; M270-I283 WeakPolarHBondContact O-CG1 3.23Å; M270-I283 PolarHBondContact O-N 3Å; F271-I283 HydrophobicContact CD1-CD1 4.07Å; F271-I283 HydrophobicContact CE1-CD1 3.65Å; F271-I283 HydrophobicContact CZ-CD1 4.43Å; G281-I283 PolarHBondContact O-N 3.07Å; I283-S285 VanDerWaalsContact C-N 3.32Å; I283-S285 PolarHBondContact O-N 3.39Å; I283-A286 WeakPolarHBondContact O-CB 3.23Å; I283-A286 PolarHBondContact O-N 3.03Å; I283-A286 VanDerWaalsContact O-N 3.12Å; I283-I287 HydrophobicContact CG2-CD1 4.09Å; I283-I287 WeakPolarHBondContact O-CG1 3.44Å; I283-I287 PolarHBondContact O-N 3.03Å; I283-L372 HydrophobicContact CB-CD2 4.32Å; I283-L372 HydrophobicContact CG2-CD1 3.92Å; I283-L372 HydrophobicContact CG2-CD2 3.8Å; I283-L372 HydrophobicContact CG2-CG 4.47Å; I283-F418 HydrophobicContact CD1-CB 4.43Å; I283-F418 HydrophobicContact CG2-CD1 3.78Å; I283-F418 HydrophobicContact CG2-CE1 3.93Å; I283-F418 HydrophobicContact CG2-CG 4.37Å; I283-L445 HydrophobicContact CB-CD1 4.28Å; I283-L445 HydrophobicContact CD1-CB 4.3Å; I283-L445 HydrophobicContact CG1-CB 4.03Å; I283-L445 HydrophobicContact CG1-CD1 4.07Å; I283-L445 HydrophobicContact CG2-CD1 3.97Å
284	P	97.1	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-37.4	177.4	20.9	-31	0	0	0	113	F127 I131 F271 L280 G281 A286 I287 S288	F127-P284 HydrophobicContact CD1-CB 4.01Å; F127-P284 HydrophobicContact CD1-CG 3.96Å; F127-P284 HydrophobicContact CE1-CG 3.97Å; F127-P284 HydrophobicContact CG-CB 4.38Å; I131-P284 HydrophobicContact CD1-CB 3.66Å; I131-P284 WeakPolarHBondContact CD1-O 3.41Å; F271-P284 WeakPolarHBondContact O-CG 3.45Å; L280-P284 HydrophobicContact CB-CB 4.41Å; L280-P284 HydrophobicContact CB-CG 4.11Å; L280-P284 HydrophobicContact CD2-CB 3.99Å; L280-P284 HydrophobicContact CD2-CG 4.06Å; G281-P284 WeakPolarHBondContact O-CD 3.24Å; P284-A286 PolarHBondContact O-N 2.76Å; P284-I287 PolarHBondContact O-N 3.28Å; P284-S288 PolarHBondContact O-N 3.5Å
285	S	97.1	Very high	94.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-42	172.2	-68.6	0	0	0	0	112.1	L280 G281 I283 S288 W289	L280-S285 PolarHBondContact O-OG 2.91Å; G281-S285 WeakPolarHBondContact O-CB 3.37Å; G281-S285 PolarHBondContact O-N 3.3Å; G281-S285 PolarHBondContact O-OG 3.38Å; I283-S285 VanDerWaalsContact C-N 3.32Å; I283-S285 PolarHBondContact O-N 3.39Å; S285-S288 PolarHBondContact O-N 3.38Å; S285-W289 WeakPolarHBondContact O-CB 3.43Å; S285-W289 PolarHBondContact O-N 3.48Å
286	A	98.3	Very high	94.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-41.4	176.7	0	0	0	0	0	112.9	L241 I245 I282 I283 P284 L290 L443 L445	L241-A286 HydrophobicContact CD1-CB 3.85Å; L241-A286 HydrophobicContact CD2-CB 3.77Å; L241-A286 HydrophobicContact CG-CB 4.45Å; I245-A286 HydrophobicContact CD1-CB 4.37Å; I282-A286 WeakPolarHBondContact O-CB 3.27Å; I282-A286 PolarHBondContact O-N 3.42Å; I283-A286 WeakPolarHBondContact O-CB 3.23Å; I283-A286 PolarHBondContact O-N 3.03Å; I283-A286 VanDerWaalsContact O-N 3.12Å; P284-A286 PolarHBondContact O-N 2.76Å; A286-L290 WeakPolarHBondContact O-CB 3.18Å; A286-L290 PolarHBondContact O-N 3.37Å; A286-L443 HydrophobicContact CB-CD2 4.37Å; A286-L445 HydrophobicContact CB-CD1 3.9Å
287	I	98.3	Very high	94.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.8	-57.6	174.5	-69.3	164.8	0	0	0	109.6	I131 I283 P284 W289 L290 F291 A365 A368 A369 L372 F418 L420	I131-I287 HydrophobicContact CD1-CB 4.47Å; I131-I287 HydrophobicContact CD1-CG2 4.4Å; I283-I287 HydrophobicContact CG2-CD1 4.09Å; I283-I287 WeakPolarHBondContact O-CG1 3.44Å; I283-I287 PolarHBondContact O-N 3.03Å; P284-I287 PolarHBondContact O-N 3.28Å; I287-W289 PolarHBondContact O-N 2.94Å; I287-L290 PolarHBondContact O-N 3.01Å; I287-F291 HydrophobicContact CG2-CD2 4.24Å; I287-F291 HydrophobicContact CG2-CE2 4.39Å; I287-F291 WeakPolarHBondContact O-CD2 3.38Å; I287-F291 PolarHBondContact O-N 2.96Å; I287-A365 HydrophobicContact CG2-CB 4.23Å; I287-A365 WeakPolarHBondContact CG2-O 3.48Å; I287-A368 HydrophobicContact CG2-CB 3.73Å; I287-A369 HydrophobicContact CD1-CB 4.48Å; I287-L372 HydrophobicContact CD1-CB 4.44Å; I287-L372 HydrophobicContact CD1-CD2 4.31Å; I287-F418 HydrophobicContact CD1-CE1 4.07Å; I287-F418 HydrophobicContact CD1-CZ 4.21Å; I287-F418 HydrophobicContact CG1-CE1 4.44Å; I287-L420 HydrophobicContact CG1-CD2 4.13Å
288	S	97.2	Very high	94.9	Very high	8 Å²	8	22.2 Å²	22.2	6%	0.056	11%	0.112	C	C	.	.	H	α-helix	trans	-58.1	-49.2	-176.6	-176.1	0	0	0	0	112.4	P284 S285 L290 R292	P284-S288 PolarHBondContact O-N 3.5Å; S285-S288 PolarHBondContact O-N 3.38Å; S288-L290 PolarHBondContact O-N 3.27Å; S288-R292 PolarHBondContact O-N 3.29Å; S288-R292 VanDerWaalsContact O-N 3.15Å
289	W	97.6	Very high	95	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-71.3	-31.9	-176.1	-59.2	-8.7	0	0	0	112.8	P136 M138 P139 L142 C237 A238 L241 I245 S285 I287 L293	P136-W289 PolarHBondContact O-NE1 3.39Å; M138-W289 HydrophobicContact CB-CG 4.13Å; M138-W289 HydrophobicContact CG-CB 4.01Å; M138-W289 HydrophobicContact CG-CD2 4.26Å; M138-W289 HydrophobicContact CG-CG 3.75Å; M138-W289 HydrophobicContact SD-CB 4.15Å; M138-W289 HydrophobicContact SD-CG 4.45Å; P139-W289 HydrophobicContact CG-CE3 4.18Å; P139-W289 HydrophobicContact CG-CH2 3.67Å; P139-W289 HydrophobicContact CG-CZ2 4.17Å; P139-W289 HydrophobicContact CG-CZ3 3.68Å; L142-W289 HydrophobicContact CD2-CB 4.16Å; C237-W289 HydrophobicContact CB-CH2 3.69Å; C237-W289 HydrophobicContact CB-CZ3 4.1Å; A238-W289 HydrophobicContact CB-CH2 4.32Å; L241-W289 HydrophobicContact CB-CE3 4.26Å; L241-W289 HydrophobicContact CB-CZ3 4.17Å; L241-W289 HydrophobicContact CD1-CE3 4.04Å; L241-W289 HydrophobicContact CD1-CZ3 3.9Å; I245-W289 HydrophobicContact CD1-CB 3.79Å; I245-W289 HydrophobicContact CD1-CE3 4.26Å; S285-W289 WeakPolarHBondContact O-CB 3.43Å; S285-W289 PolarHBondContact O-N 3.48Å; I287-W289 PolarHBondContact O-N 2.94Å; W289-L293 WeakPolarHBondContact O-CB 3.4Å; W289-L293 PolarHBondContact O-N 3.26Å
290	L	97.9	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-53.2	174.1	178.2	70.6	0	0	0	111.3	I245 V248 V249 A286 I287 S288 R292 L293 I294 L420 I422 L443	I245-L290 HydrophobicContact CG2-CB 4.24Å; I245-L290 HydrophobicContact CG2-CD1 4Å; V248-L290 HydrophobicContact CG1-CD1 4.17Å; V249-L290 HydrophobicContact CG2-CD1 3.47Å; V249-L290 VanDerWaalsContact CG2-CD1 3.47Å; A286-L290 WeakPolarHBondContact O-CB 3.18Å; A286-L290 PolarHBondContact O-N 3.37Å; I287-L290 PolarHBondContact O-N 3.01Å; S288-L290 PolarHBondContact O-N 3.27Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.96Å; L290-L293 PolarHBondContact O-N 3.14Å; L290-I294 HydrophobicContact CD1-CD1 4.01Å; L290-I294 HydrophobicContact CD1-CG1 4.35Å; L290-I294 HydrophobicContact CD2-CD1 4.4Å; L290-I294 HydrophobicContact CG-CD1 3.84Å; L290-I294 HydrophobicContact CG-CG1 4.47Å; L290-I294 WeakPolarHBondContact O-CB 3.36Å; L290-I294 WeakPolarHBondContact O-CG1 3.35Å; L290-I294 PolarHBondContact O-N 3.05Å; L290-L420 HydrophobicContact CD2-CB 4.29Å; L290-L420 HydrophobicContact CD2-CD2 3.61Å; L290-I422 HydrophobicContact CD1-CG1 4.32Å; L290-I422 HydrophobicContact CD2-CD1 3.89Å; L290-I422 HydrophobicContact CD2-CG1 4.01Å; L290-L443 HydrophobicContact CD2-CD2 4.46Å
291	F	97.4	Very high	94.6	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.088	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-35.2	-179.7	-85.6	-87.6	0	0	0	112.3	I287 T295 V307 A362 T364 A365 A368	I287-F291 HydrophobicContact CG2-CD2 4.24Å; I287-F291 HydrophobicContact CG2-CE2 4.39Å; I287-F291 WeakPolarHBondContact O-CD2 3.38Å; I287-F291 PolarHBondContact O-N 2.96Å; F291-T295 PolarHBondContact O-N 2.97Å; F291-T295 PolarHBondContact O-OG1 2.87Å; F291-V307 HydrophobicContact CE1-CB 4.16Å; F291-V307 HydrophobicContact CE1-CG2 4.02Å; F291-V307 HydrophobicContact CE2-CG1 4.16Å; F291-V307 HydrophobicContact CZ-CB 3.74Å; F291-V307 HydrophobicContact CZ-CG1 3.81Å; F291-V307 HydrophobicContact CZ-CG2 3.97Å; F291-A362 HydrophobicContact CZ-CB 4.19Å; F291-A362 WeakPolarHBondContact CZ-O 3.33Å; F291-T364 WeakPolarHBondContact CZ-O 3.41Å; F291-A365 HydrophobicContact CB-CB 3.91Å; F291-A365 HydrophobicContact CD2-CB 3.93Å; F291-A365 HydrophobicContact CG-CB 3.94Å; F291-A368 HydrophobicContact CE2-CB 3.63Å; F291-A368 HydrophobicContact CZ-CB 4.11Å
292	R	95.7	Very high	94.2	Very high	109 Å²	109	36.4 Å²	36.4	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-67.3	-43.5	175.5	-137.5	-175.7	80.7	171.8	7.3	112.4	M138 S288 L290 T295 E296	M138-R292 HydrophobicContact SD-CB 3.96Å; M138-R292 PolarHBondContact SD-NE 3.47Å; M138-R292 VanDerWaalsContact SD-NE 3.37Å; S288-R292 PolarHBondContact O-N 3.29Å; S288-R292 VanDerWaalsContact O-N 3.15Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.96Å; R292-T295 PolarHBondContact O-N 2.98Å; R292-E296 PolarHBondContact O-N 3.15Å; R292-E296 VanDerWaalsContact O-N 3.15Å
293	L	95.3	Very high	93.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-70.8	-33.9	177.5	-162.7	72	0	0	0	112.1	M138 L142 I245 V249 W289 L290 T295 E296 Q297	M138-L293 HydrophobicContact CE-CD1 4.16Å; L142-L293 HydrophobicContact CD1-CD2 4.5Å; L142-L293 HydrophobicContact CD2-CB 4.42Å; L142-L293 HydrophobicContact CD2-CD1 4.33Å; L142-L293 HydrophobicContact CD2-CD2 4.16Å; L142-L293 HydrophobicContact CG-CD1 4.24Å; L142-L293 HydrophobicContact CG-CD2 4.15Å; I245-L293 HydrophobicContact CG2-CD2 3.99Å; V249-L293 HydrophobicContact CB-CD2 4.12Å; V249-L293 HydrophobicContact CG1-CD2 4.34Å; V249-L293 HydrophobicContact CG1-CG 4.34Å; V249-L293 HydrophobicContact CG2-CB 4.47Å; V249-L293 HydrophobicContact CG2-CD2 4.08Å; W289-L293 WeakPolarHBondContact O-CB 3.4Å; W289-L293 PolarHBondContact O-N 3.26Å; L290-L293 PolarHBondContact O-N 3.14Å; L293-T295 VanDerWaalsContact C-N 3.35Å; L293-E296 PolarHBondContact O-N 2.73Å; L293-Q297 VanDerWaalsContact O-CB 3.27Å; L293-Q297 WeakPolarHBondContact O-CB 3.32Å; L293-Q297 PolarHBondContact O-N 3.48Å
294	I	95.5	Very high	93.5	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-43.3	170.7	-78.2	175.2	0	0	0	110.9	V249 L290 Q297 K298 F305 V307 I422	V249-I294 HydrophobicContact CG1-CG1 4.47Å; V249-I294 HydrophobicContact CG2-CG1 3.88Å; L290-I294 HydrophobicContact CD1-CD1 4.01Å; L290-I294 HydrophobicContact CD1-CG1 4.35Å; L290-I294 HydrophobicContact CD2-CD1 4.4Å; L290-I294 HydrophobicContact CG-CD1 3.84Å; L290-I294 HydrophobicContact CG-CG1 4.47Å; L290-I294 WeakPolarHBondContact O-CB 3.36Å; L290-I294 WeakPolarHBondContact O-CG1 3.35Å; L290-I294 PolarHBondContact O-N 3.05Å; I294-Q297 PolarHBondContact O-N 2.93Å; I294-K298 VanDerWaalsContact O-CB 3.23Å; I294-K298 WeakPolarHBondContact O-CB 3.39Å; I294-K298 PolarHBondContact O-N 3.07Å; I294-F305 HydrophobicContact CD1-CD1 4.42Å; I294-F305 HydrophobicContact CG1-CD1 4.22Å; I294-F305 HydrophobicContact CG1-CE1 4.44Å; I294-F305 HydrophobicContact CG1-CG 4.49Å; I294-F305 HydrophobicContact CG2-CB 3.67Å; I294-F305 HydrophobicContact CG2-CD1 4.24Å; I294-F305 HydrophobicContact CG2-CD2 3.87Å; I294-F305 HydrophobicContact CG2-CG 3.67Å; I294-V307 HydrophobicContact CD1-CG2 3.67Å; I294-I422 HydrophobicContact CD1-CG1 4.29Å; I294-I422 HydrophobicContact CD1-CG2 4.18Å
295	T	94.1	Very high	93.4	Very high	66 Å²	66	43.7 Å²	43.7	41%	0.405	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-48.9	177.6	-57.5	0	0	0	0	111.3	F291 R292 L293 Q297 K298 E299	F291-T295 PolarHBondContact O-N 2.97Å; F291-T295 PolarHBondContact O-OG1 2.87Å; R292-T295 PolarHBondContact O-N 2.98Å; L293-T295 VanDerWaalsContact C-N 3.35Å; T295-Q297 PolarHBondContact O-N 3.21Å; T295-K298 WeakPolarHBondContact O-CB 3.28Å; T295-K298 PolarHBondContact O-N 3.39Å; T295-E299 WeakPolarHBondContact O-CG 3.43Å; T295-E299 PolarHBondContact O-N 3.48Å
296	E	91.4	Very high	93.3	Very high	38 Å²	38	44.7 Å²	44.7	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176	-167.4	-171	148.5	0	0	112	L143 S146 R292 L293 E299 R300	L143-E296 VanDerWaalsContact CD2-OE2 3.27Å; L143-E296 WeakPolarHBondContact CD2-OE2 3.44Å; S146-E296 WeakPolarHBondContact CB-OE1 3.49Å; S146-E296 PolarHBondContact OG-OE1 2.77Å; R292-E296 PolarHBondContact O-N 3.15Å; R292-E296 VanDerWaalsContact O-N 3.15Å; L293-E296 PolarHBondContact O-N 2.73Å; E296-E299 PolarHBondContact O-N 3.15Å; E296-R300 WeakPolarHBondContact O-CB 3.29Å; E296-R300 PolarHBondContact O-N 3.41Å
297	Q	89.1	Confident	93.3	Very high	8 Å²	8	45 Å²	45	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-68.9	-35.9	179	-171.4	112	-48.5	0	0	112	V249 N250 L293 I294 T295 R300 T301 F305	V249-Q297 HydrophobicContact CG1-CB 3.86Å; V249-Q297 HydrophobicContact CG1-CG 3.92Å; V249-Q297 PolarHBondContact O-NE2 3.44Å; N250-Q297 PolarHBondContact OD1-NE2 3.49Å; L293-Q297 VanDerWaalsContact O-CB 3.27Å; L293-Q297 WeakPolarHBondContact O-CB 3.32Å; L293-Q297 PolarHBondContact O-N 3.48Å; I294-Q297 PolarHBondContact O-N 2.93Å; T295-Q297 PolarHBondContact O-N 3.21Å; Q297-R300 PolarHBondContact O-N 3.33Å; Q297-T301 HydrophobicContact CG-CG2 4.3Å; Q297-T301 WeakPolarHBondContact O-CB 3.32Å; Q297-T301 WeakPolarHBondContact O-CG2 2.89Å; Q297-T301 PolarHBondContact O-N 3.37Å; Q297-T301 PolarHBondContact O-OG1 2.85Å; Q297-F305 HydrophobicContact CB-CE2 4.28Å; Q297-F305 HydrophobicContact CB-CZ 4.34Å; Q297-F305 HydrophobicContact CG-CE2 4.15Å; Q297-F305 HydrophobicContact CG-CZ 3.92Å
298	K	90.8	Very high	93.2	Very high	126 Å²	126	48.2 Å²	48.2	55%	0.548	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-51.5	173.4	172.5	-173.8	174.8	-170	0	110.7	I294 T295 G302 F305	I294-K298 VanDerWaalsContact O-CB 3.23Å; I294-K298 WeakPolarHBondContact O-CB 3.39Å; I294-K298 PolarHBondContact O-N 3.07Å; T295-K298 WeakPolarHBondContact O-CB 3.28Å; T295-K298 PolarHBondContact O-N 3.39Å; K298-G302 WeakPolarHBondContact O-CA 3.11Å; K298-G302 PolarHBondContact O-N 2.95Å; K298-F305 HydrophobicContact CB-CD2 4.22Å; K298-F305 HydrophobicContact CB-CE2 4.47Å
299	E	90.1	Very high	93.2	Very high	154 Å²	154	47.8 Å²	47.8	72%	0.72	23%	0.23	S	C	*	.	H	α-helix	trans	-59.9	-47.2	175.9	-70.3	171.4	-169.9	0	0	112	T295 E296 T301	T295-E299 WeakPolarHBondContact O-CG 3.43Å; T295-E299 PolarHBondContact O-N 3.48Å; E296-E299 PolarHBondContact O-N 3.15Å; E299-T301 PolarHBondContact O-N 3.28Å
300	R	87.2	Confident	93.1	Very high	114 Å²	114	47.7 Å²	47.7	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-70.1	-27.6	-175.4	-169.8	179.3	66	72.3	-3.2	114.3	S146 E296 Q297	S146-R300 PolarHBondContact O-NE 2.86Å; E296-R300 WeakPolarHBondContact O-CB 3.29Å; E296-R300 PolarHBondContact O-N 3.41Å; Q297-R300 PolarHBondContact O-N 3.33Å
301	T	86.9	Confident	93	Very high	40 Å²	40	47.7 Å²	47.7	25%	0.245	23%	0.229	C	C	.	.	H	α-helix	trans	-121.8	-13.3	-169.3	68.1	0	0	0	0	115.3	Q297 E299 A303 R426	Q297-T301 HydrophobicContact CG-CG2 4.3Å; Q297-T301 WeakPolarHBondContact O-CB 3.32Å; Q297-T301 WeakPolarHBondContact O-CG2 2.89Å; Q297-T301 PolarHBondContact O-N 3.37Å; Q297-T301 PolarHBondContact O-OG1 2.85Å; E299-T301 PolarHBondContact O-N 3.28Å; T301-A303 PolarHBondContact O-N 3.02Å; T301-A303 VanDerWaalsContact OG1-CB 3.24Å; T301-A303 WeakPolarHBondContact OG1-CB 3.27Å; T301-A303 PolarHBondContact OG1-N 3.3Å; T301-R426 WeakPolarHBondContact O-CD 3.37Å; T301-R426 PolarHBondContact O-NE 2.97Å
302	G	86.3	Confident	92.8	Very high	58 Å²	58	46.8 Å²	46.8	60%	0.598	23%	0.225	S	C	*	.			trans	68.8	10.1	-169.2	0	0	0	0	0	114	K298	K298-G302 WeakPolarHBondContact O-CA 3.11Å; K298-G302 PolarHBondContact O-N 2.95Å
303	A	88.7	Confident	92.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	21%	0.206	C	C	.	.			trans	-72.4	133.7	175.7	0	0	0	0	0	111	T301 F305 Q424 Y425 R426	T301-A303 PolarHBondContact O-N 3.02Å; T301-A303 VanDerWaalsContact OG1-CB 3.24Å; T301-A303 WeakPolarHBondContact OG1-CB 3.27Å; T301-A303 PolarHBondContact OG1-N 3.3Å; A303-F305 HydrophobicContact CB-CD2 4.5Å; A303-F305 HydrophobicContact CB-CE2 3.87Å; A303-F305 HydrophobicContact CB-CZ 4.37Å; A303-Q424 HydrophobicContact CB-CG 4.13Å; A303-Y425 CarbonylContact C-O 3.54Å; A303-Y425 VanDerWaalsContact CA-O 3.29Å; A303-Y425 WeakPolarHBondContact CA-O 3.26Å; A303-R426 HydrophobicContact CB-CB 4.13Å
304	R	90.8	Very high	92.4	Very high	113 Å²	113	41.4 Å²	41.4	43%	0.426	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.7	169.5	-62.9	175.1	69.2	104.6	-2.4	108.7	Y425	R304-Y425 PolarHBondContact N-O 2.97Å; R304-Y425 PolarHBondContact O-N 3.44Å
305	F	95.1	Very high	91.9	Very high	39 Å²	39	41.7 Å²	41.7	17%	0.171	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.8	177	-72.4	-90.4	0	0	0	110.1	V249 I294 Q297 K298 A303 I422 Y423 Q424	V249-F305 HydrophobicContact CG1-CZ 4.46Å; I294-F305 HydrophobicContact CD1-CD1 4.42Å; I294-F305 HydrophobicContact CG1-CD1 4.22Å; I294-F305 HydrophobicContact CG1-CE1 4.44Å; I294-F305 HydrophobicContact CG1-CG 4.49Å; I294-F305 HydrophobicContact CG2-CB 3.67Å; I294-F305 HydrophobicContact CG2-CD1 4.24Å; I294-F305 HydrophobicContact CG2-CD2 3.87Å; I294-F305 HydrophobicContact CG2-CG 3.67Å; Q297-F305 HydrophobicContact CB-CE2 4.28Å; Q297-F305 HydrophobicContact CB-CZ 4.34Å; Q297-F305 HydrophobicContact CG-CE2 4.15Å; Q297-F305 HydrophobicContact CG-CZ 3.92Å; K298-F305 HydrophobicContact CB-CD2 4.22Å; K298-F305 HydrophobicContact CB-CE2 4.47Å; A303-F305 HydrophobicContact CB-CD2 4.5Å; A303-F305 HydrophobicContact CB-CE2 3.87Å; A303-F305 HydrophobicContact CB-CZ 4.37Å; F305-I422 HydrophobicContact CD1-CG2 3.8Å; F305-I422 HydrophobicContact CE1-CG2 4.2Å; F305-Y423 CarbonylContact C-O 3.57Å; F305-Y423 VanDerWaalsContact CA-O 3.28Å; F305-Y423 WeakPolarHBondContact CA-O 3.47Å; F305-Q424 HydrophobicContact CD1-CB 4.05Å; F305-Q424 HydrophobicContact CD1-CG 4.13Å; F305-Q424 HydrophobicContact CE1-CB 3.75Å; F305-Q424 HydrophobicContact CE1-CG 3.54Å; F305-Q424 HydrophobicContact CE2-CG 4.37Å; F305-Q424 HydrophobicContact CZ-CB 4.39Å; F305-Q424 HydrophobicContact CZ-CG 3.67Å
306	S	95.4	Very high	91	Very high	24 Å²	24	39.9 Å²	39.9	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.6	162.5	-163.9	0	0	0	0	108.1	R361 Y423	S306-R361 PolarHBondContact OG-NE 2.96Å; S306-Y423 PolarHBondContact N-O 3.24Å; S306-Y423 PolarHBondContact O-N 3.34Å
307	V	97.7	Very high	90.1	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.4	177.8	-175.8	0	0	0	0	108.3	F291 I294 I309 A362 L420 H421 I422	F291-V307 HydrophobicContact CE1-CB 4.16Å; F291-V307 HydrophobicContact CE1-CG2 4.02Å; F291-V307 HydrophobicContact CE2-CG1 4.16Å; F291-V307 HydrophobicContact CZ-CB 3.74Å; F291-V307 HydrophobicContact CZ-CG1 3.81Å; F291-V307 HydrophobicContact CZ-CG2 3.97Å; I294-V307 HydrophobicContact CD1-CG2 3.67Å; V307-I309 HydrophobicContact CG1-CD1 4.17Å; V307-A362 PolarHBondContact O-N 3.38Å; V307-L420 HydrophobicContact CG1-CB 4.47Å; V307-H421 WeakPolarHBondContact CA-O 3.34Å; V307-I422 HydrophobicContact CG2-CG1 4.47Å
308	R	97.1	Very high	89.5	Confident	68 Å²	68	50.9 Å²	50.9	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.3	176.1	-50	-179.8	80.4	-143.1	12.8	108.8	E359 L360 R361 H421 Y423	R308-E359 HydrophobicContact CB-CG 3.86Å; R308-E359 WeakPolarHBondContact CD-OE1 3.33Å; R308-E359 IonicContact CZ-OE1 3.67Å; R308-E359 PolarHBondContact NE-O 2.63Å; R308-E359 VanDerWaalsContact NE-O 3.12Å; R308-E359 IonicContact NE-OE1 3.87Å; R308-E359 PolarHBondContact NH1-O 3Å; R308-E359 IonicContact NH1-OE1 3.64Å; R308-E359 PolarHBondContact NH1-OE1 2.83Å; R308-E359 PolarHBondContact NH2-O 3.13Å; R308-L360 CarbonylContact C-O 3.44Å; R308-L360 WeakPolarHBondContact CA-O 3.19Å; R308-R361 HydrophobicContact CG-CB 4.26Å; R308-R361 HydrophobicContact CG-CG 4.33Å; R308-H421 PolarHBondContact N-O 3.22Å; R308-H421 PolarHBondContact O-CD2 3.21Å; R308-H421 PolarHBondContact O-N 3.08Å; R308-Y423 HydrophobicContact CG-CD2 4.48Å; R308-Y423 HydrophobicContact CG-CE2 4.1Å
309	I	97.2	Very high	89.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.3	-171.4	-49.2	-63.1	0	0	0	108.6	V307 L325 E359 L360 A362 A368 Y371 F418 T419 L420	V307-I309 HydrophobicContact CG1-CD1 4.17Å; I309-L325 HydrophobicContact CG2-CD1 4.23Å; I309-E359 CarbonylContact O-C 3.56Å; I309-E359 WeakPolarHBondContact O-CA 3.21Å; I309-L360 PolarHBondContact N-O 2.89Å; I309-L360 PolarHBondContact O-N 3.38Å; I309-A362 HydrophobicContact CD1-CB 4.22Å; I309-A362 HydrophobicContact CG1-CB 3.75Å; I309-A368 HydrophobicContact CD1-CB 3.91Å; I309-A368 HydrophobicContact CG1-CB 4.27Å; I309-Y371 HydrophobicContact CB-CD2 4.26Å; I309-Y371 HydrophobicContact CG1-CD2 3.97Å; I309-F418 HydrophobicContact CG2-CE1 4.17Å; I309-F418 HydrophobicContact CG2-CE2 3.75Å; I309-F418 HydrophobicContact CG2-CZ 3.55Å; I309-T419 WeakPolarHBondContact CA-O 3.3Å; I309-L420 HydrophobicContact CD1-CB 4.17Å; I309-L420 HydrophobicContact CD1-CD2 3.93Å; I309-L420 HydrophobicContact CD1-CG 3.71Å
310	S	95.7	Very high	89.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.9	160.2	66.2	0	0	0	0	110.1	Q357 S358 T419 H421	S310-Q357 VanDerWaalsContact CB-OE1 3.22Å; S310-Q357 PolarHBondContact OG-OE1 3.33Å; S310-S358 WeakPolarHBondContact CA-O 3.24Å; S310-S358 WeakPolarHBondContact CB-O 3.31Å; S310-T419 PolarHBondContact N-O 3.38Å; S310-T419 PolarHBondContact O-N 2.92Å; S310-H421 PolarHBondContact OG-NE2 3.22Å
311	A	95.8	Very high	89.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	111.7	177.2	0	0	0	0	0	109.1	L324 L325 A375 F418	A311-L324 HydrophobicContact CB-CB 4.22Å; A311-L324 WeakPolarHBondContact O-CB 3.24Å; A311-L324 PolarHBondContact O-N 2.85Å; A311-L325 HydrophobicContact CB-CD1 4.28Å; A311-L325 HydrophobicContact CB-CD2 4.35Å; A311-L325 HydrophobicContact CB-CG 4.02Å; A311-A375 HydrophobicContact CB-CB 3.75Å; A311-F418 HydrophobicContact CB-CD2 3.76Å; A311-F418 HydrophobicContact CB-CE2 4.27Å
312	V	93.9	Very high	89.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.7	-176.8	177.3	0	0	0	0	109.5	L321 R322 V342 L354 Q357 F417 M513	V312-L321 HydrophobicContact CG1-CD2 4.01Å; V312-R322 CarbonylContact C-O 3.46Å; V312-R322 WeakPolarHBondContact CA-O 3.37Å; V312-V342 HydrophobicContact CG1-CG1 4.35Å; V312-L354 HydrophobicContact CB-CD2 4.33Å; V312-L354 HydrophobicContact CG1-CD2 4.3Å; V312-L354 HydrophobicContact CG2-CD2 4.03Å; V312-Q357 HydrophobicContact CG2-CB 4.07Å; V312-F417 PolarHBondContact N-O 3.07Å; V312-F417 VanDerWaalsContact N-O 3.08Å; V312-F417 PolarHBondContact O-N 3.19Å; V312-M513 HydrophobicContact CB-CE 4.35Å; V312-M513 HydrophobicContact CG1-CE 3.89Å
313	E	91.7	Very high	89.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.3	172.2	-171.8	176.2	-129.3	0	0	109.8	C315 R322 L324 S379 S414 H415	E313-C315 HydrophobicContact CG-CB 4.31Å; E313-C315 PolarHBondContact OE2-SG 3.04Å; E313-C315 VanDerWaalsContact OE2-SG 3.37Å; E313-R322 HydrophobicContact CB-CB 4.47Å; E313-R322 PolarHBondContact N-O 3.24Å; E313-R322 PolarHBondContact O-N 3Å; E313-L324 HydrophobicContact CB-CD1 4.09Å; E313-L324 HydrophobicContact CB-CD2 3.95Å; E313-L324 HydrophobicContact CB-CG 4.06Å; E313-S379 PolarHBondContact OE1-OG 3.27Å; E313-S414 VanDerWaalsContact OE1-CB 3.32Å; E313-S414 WeakPolarHBondContact OE1-CB 3.41Å; E313-S414 PolarHBondContact OE1-OG 2.81Å; E313-H415 WeakPolarHBondContact CA-O 3.26Å
314	L	90.3	Very high	89.8	Confident	2 Å²	2	37 Å²	37	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.1	165.7	-167.3	77.5	0	0	0	108.3	E319 A320 L321 S414 H415 K509 L510 M513	L314-E319 HydrophobicContact CD1-CB 4Å; L314-E319 VanDerWaalsContact CD1-O 3.29Å; L314-E319 WeakPolarHBondContact CD1-O 3.34Å; L314-E319 HydrophobicContact CD2-CB 4.09Å; L314-E319 HydrophobicContact CD2-CG 4.14Å; L314-E319 HydrophobicContact CG-CB 4.05Å; L314-A320 CarbonylContact C-O 3.59Å; L314-A320 WeakPolarHBondContact CA-O 3.24Å; L314-L321 HydrophobicContact CD1-CD2 3.49Å; L314-L321 VanDerWaalsContact CD1-CD2 3.49Å; L314-L321 HydrophobicContact CD1-CG 3.81Å; L314-S414 CarbonylContact O-C 3.56Å; L314-S414 VanDerWaalsContact O-CA 3.25Å; L314-S414 WeakPolarHBondContact O-CA 3.37Å; L314-H415 HydrophobicContact CB-CB 4.31Å; L314-H415 PolarHBondContact N-O 2.95Å; L314-H415 PolarHBondContact O-N 3.13Å; L314-K509 HydrophobicContact CD1-CB 3.96Å; L314-K509 HydrophobicContact CD1-CD 4.38Å; L314-K509 HydrophobicContact CD2-CB 4.44Å; L314-L510 HydrophobicContact CD2-CB 3.57Å; L314-L510 HydrophobicContact CD2-CD1 4.31Å; L314-L510 HydrophobicContact CD2-CG 4.48Å; L314-M513 HydrophobicContact CB-SD 4.23Å; L314-M513 HydrophobicContact CD1-SD 4.03Å; L314-M513 HydrophobicContact CD2-SD 4.38Å; L314-M513 HydrophobicContact CG-SD 4.47Å
315	C	84.8	Confident	89.9	Confident	17 Å²	17	31.7 Å²	31.7	12%	0.115	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.6	-159.8	-136.4	0	0	0	0	112.8	E313 A320	E313-C315 HydrophobicContact CG-CB 4.31Å; E313-C315 PolarHBondContact OE2-SG 3.04Å; E313-C315 VanDerWaalsContact OE2-SG 3.37Å; C315-A320 PolarHBondContact N-O 2.89Å; C315-A320 PolarHBondContact O-N 3.01Å
316	G	74.7	Confident	89.7	Confident	29 Å²	29	31.7 Å²	31.7	30%	0.299	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-168.7	166.4	0	0	0	0	0	115.6	E318 E319 N413	G316-E318 PolarHBondContact O-N 3.4Å; G316-E319 PolarHBondContact O-N 3.39Å; G316-N413 PolarHBondContact N-O 2.87Å
317	K	72.6	Confident	89	Confident	115 Å²	115	33.9 Å²	33.9	50%	0.5	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-39.7	-175.5	-66.9	-173.5	-178	-176.7	0	112.9	E319 S482	K317-E319 PolarHBondContact O-N 2.88Å; K317-E319 VanDerWaalsContact O-N 3.15Å; K317-S482 VanDerWaalsContact O-CB 3.3Å; K317-S482 WeakPolarHBondContact O-CB 3.22Å; K317-S482 PolarHBondContact O-OG 2.98Å
318	E	77.1	Confident	88.4	Confident	162 Å²	162	34.3 Å²	34.3	76%	0.757	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	0.8	-177.4	-64.3	174.5	-167.2	0	0	113.1	G316 A320 K509	G316-E318 PolarHBondContact O-N 3.4Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 3.33Å; E318-K509 PolarHBondContact O-NZ 3.34Å
319	E	84.8	Confident	87.6	Confident	19 Å²	19	31.4 Å²	31.4	9%	0.089	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	52.4	-171.5	-68	-175.6	127	0	0	110.1	L314 G316 K317 L321 S508 K509 L510	L314-E319 HydrophobicContact CD1-CB 4Å; L314-E319 VanDerWaalsContact CD1-O 3.29Å; L314-E319 WeakPolarHBondContact CD1-O 3.34Å; L314-E319 HydrophobicContact CD2-CB 4.09Å; L314-E319 HydrophobicContact CD2-CG 4.14Å; L314-E319 HydrophobicContact CG-CB 4.05Å; G316-E319 PolarHBondContact O-N 3.39Å; K317-E319 PolarHBondContact O-N 2.88Å; K317-E319 VanDerWaalsContact O-N 3.15Å; E319-L321 PolarHBondContact O-N 3.31Å; E319-S508 WeakPolarHBondContact OE1-CB 3.49Å; E319-S508 PolarHBondContact OE1-OG 3.28Å; E319-S508 WeakPolarHBondContact OE2-CA 3.09Å; E319-K509 HydrophobicContact CB-CB 4.13Å; E319-K509 HydrophobicContact CB-CD 3.75Å; E319-K509 HydrophobicContact CB-CG 4.37Å; E319-K509 WeakPolarHBondContact O-CD 3.38Å; E319-K509 WeakPolarHBondContact O-CE 3.34Å; E319-K509 PolarHBondContact O-NZ 2.83Å; E319-K509 PolarHBondContact OE1-N 2.72Å; E319-K509 PolarHBondContact OE2-N 3.24Å; E319-L510 WeakPolarHBondContact OE1-CB 3.48Å; E319-L510 PolarHBondContact OE1-N 3.27Å; E319-L510 VanDerWaalsContact OE1-N 3.07Å
320	A	86.4	Confident	86.1	Confident	45 Å²	45	35.1 Å²	35.1	37%	0.372	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.4	-177.4	0	0	0	0	0	110.4	L314 C315 E318	L314-A320 CarbonylContact C-O 3.59Å; L314-A320 WeakPolarHBondContact CA-O 3.24Å; C315-A320 PolarHBondContact N-O 2.89Å; C315-A320 PolarHBondContact O-N 3.01Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 3.33Å
321	L	90	Very high	84.3	Confident	36 Å²	36	39.7 Å²	39.7	19%	0.188	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.8	177.2	-73.7	163.1	0	0	0	109.9	V312 L314 E319 V342 L344 L354 M513	V312-L321 HydrophobicContact CG1-CD2 4.01Å; L314-L321 HydrophobicContact CD1-CD2 3.49Å; L314-L321 VanDerWaalsContact CD1-CD2 3.49Å; L314-L321 HydrophobicContact CD1-CG 3.81Å; E319-L321 PolarHBondContact O-N 3.31Å; L321-V342 HydrophobicContact CB-CB 4.48Å; L321-V342 HydrophobicContact CB-CG1 4.21Å; L321-V342 HydrophobicContact CD1-CG1 4.47Å; L321-L344 HydrophobicContact CD1-CB 4.43Å; L321-L344 HydrophobicContact CD1-CD1 3.99Å; L321-L344 HydrophobicContact CD1-CG 3.87Å; L321-L354 HydrophobicContact CD1-CD1 4.22Å; L321-L354 HydrophobicContact CD2-CD1 4.15Å; L321-M513 HydrophobicContact CD2-CE 4.01Å; L321-M513 HydrophobicContact CD2-SD 3.61Å
322	R	89.5	Confident	82.4	Confident	90 Å²	90	43.3 Å²	43.3	34%	0.34	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.4	177	-177	176.6	-177.9	152.4	2.7	111	V312 E313 L324 S382	V312-R322 CarbonylContact C-O 3.46Å; V312-R322 WeakPolarHBondContact CA-O 3.37Å; E313-R322 HydrophobicContact CB-CB 4.47Å; E313-R322 PolarHBondContact N-O 3.24Å; E313-R322 PolarHBondContact O-N 3Å; R322-L324 HydrophobicContact CG-CD2 4.44Å; R322-S382 VanDerWaalsContact NH1-CB 3.25Å; R322-S382 PolarHBondContact NH1-OG 2.98Å
323	D	92.5	Very high	79.8	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.064	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.7	168.2	-169	-23	0	0	0	110.1	L325 S326 V342 S358	D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 WeakPolarHBondContact OD1-CA 3.38Å; D323-L325 PolarHBondContact OD1-N 3.2Å; D323-S326 PolarHBondContact O-OG 2.73Å; D323-S326 PolarHBondContact OD1-N 3.34Å; D323-V342 HydrophobicContact CB-CG2 3.73Å; D323-S358 WeakPolarHBondContact OD2-CB 3.47Å; D323-S358 PolarHBondContact OD2-N 3.44Å; D323-S358 PolarHBondContact OD2-OG 2.98Å
324	L	92.8	Very high	77	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-82	-9.4	179.6	-59.7	179	0	0	0	113.2	A311 E313 R322 A375 A378 L416	A311-L324 HydrophobicContact CB-CB 4.22Å; A311-L324 WeakPolarHBondContact O-CB 3.24Å; A311-L324 PolarHBondContact O-N 2.85Å; E313-L324 HydrophobicContact CB-CD1 4.09Å; E313-L324 HydrophobicContact CB-CD2 3.95Å; E313-L324 HydrophobicContact CB-CG 4.06Å; R322-L324 HydrophobicContact CG-CD2 4.44Å; L324-A375 HydrophobicContact CB-CB 3.72Å; L324-A375 HydrophobicContact CD1-CB 4.04Å; L324-A378 HydrophobicContact CB-CB 4.28Å; L324-A378 HydrophobicContact CD2-CB 4.21Å; L324-A378 WeakPolarHBondContact O-CB 3.26Å; L324-L416 HydrophobicContact CD1-CD1 3.49Å; L324-L416 VanDerWaalsContact CD1-CD1 3.49Å
325	L	93.6	Very high	74.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-104.7	-2.7	177.5	-57.2	-176.8	0	0	0	113.3	I309 A311 D323 S327 V328 S329 L360 Y371 A375	I309-L325 HydrophobicContact CG2-CD1 4.23Å; A311-L325 HydrophobicContact CB-CD1 4.28Å; A311-L325 HydrophobicContact CB-CD2 4.35Å; A311-L325 HydrophobicContact CB-CG 4.02Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 WeakPolarHBondContact OD1-CA 3.38Å; D323-L325 PolarHBondContact OD1-N 3.2Å; L325-S327 PolarHBondContact O-N 2.8Å; L325-V328 CarbonylContact O-C 3.56Å; L325-V328 WeakPolarHBondContact O-CA 3.48Å; L325-V328 WeakPolarHBondContact O-CB 3.24Å; L325-V328 PolarHBondContact O-N 3.5Å; L325-S329 PolarHBondContact O-N 3.33Å; L325-L360 HydrophobicContact CB-CD1 3.93Å; L325-L360 HydrophobicContact CD1-CD1 4.28Å; L325-L360 HydrophobicContact CD1-CG 4.43Å; L325-Y371 HydrophobicContact CD2-CD1 4.31Å; L325-Y371 WeakPolarHBondContact CD2-O 3.1Å; L325-A375 HydrophobicContact CD2-CB 4.1Å
326	S	89.3	Confident	71.7	Confident	39 Å²	39	55.4 Å²	55.4	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-23.9	-179.3	54.6	0	0	0	0	115.3	D323 S329 N330	D323-S326 PolarHBondContact O-OG 2.73Å; D323-S326 PolarHBondContact OD1-N 3.34Å; S326-S329 WeakPolarHBondContact CA-OG 3.43Å; S326-S329 PolarHBondContact O-OG 3.23Å; S326-N330 PolarHBondContact O-ND2 2.89Å; S326-N330 VanDerWaalsContact O-ND2 3.15Å; S326-N330 PolarHBondContact O-OD1 3.11Å
327	S	81.3	Confident	69.9	Low	71 Å²	71	58.4 Å²	58.4	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-78.1	-24.6	170.7	51.9	0	0	0	0	112.8	L325 T331	L325-S327 PolarHBondContact O-N 2.8Å; S327-T331 PolarHBondContact O-OG1 2.75Å
328	V	85.5	Confident	68.6	Low	13 Å²	13	60.4 Å²	60.4	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-91.6	-32.1	-175.5	-163.6	0	0	0	0	111.6	L325 N330 T331 T332 L360 F370 Y371	L325-V328 CarbonylContact O-C 3.56Å; L325-V328 WeakPolarHBondContact O-CA 3.48Å; L325-V328 WeakPolarHBondContact O-CB 3.24Å; L325-V328 PolarHBondContact O-N 3.5Å; V328-N330 VanDerWaalsContact C-N 3.32Å; V328-T331 WeakPolarHBondContact CA-OG1 3.48Å; V328-T331 PolarHBondContact O-N 2.97Å; V328-T331 PolarHBondContact O-OG1 3.24Å; V328-T332 PolarHBondContact O-N 3.01Å; V328-T332 PolarHBondContact O-OG1 3.19Å; V328-L360 HydrophobicContact CB-CD1 4Å; V328-L360 HydrophobicContact CG1-CD1 4.18Å; V328-F370 HydrophobicContact CG1-CE1 4Å; V328-Y371 HydrophobicContact CG1-CD1 4.06Å; V328-Y371 HydrophobicContact CG1-CE1 3.69Å
329	S	81.2	Confident	67.3	Low	8 Å²	8	54.6 Å²	54.6	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-57.9	-46.4	168.8	51.3	0	0	0	0	111.4	L325 S326 T331 T332 D333	L325-S329 PolarHBondContact O-N 3.33Å; S326-S329 WeakPolarHBondContact CA-OG 3.43Å; S326-S329 PolarHBondContact O-OG 3.23Å; S329-T331 PolarHBondContact O-N 3.22Å; S329-T331 VanDerWaalsContact O-N 3.15Å; S329-T332 PolarHBondContact O-N 3.02Å; S329-T332 VanDerWaalsContact O-N 3.14Å; S329-T332 PolarHBondContact O-OG1 3.25Å; S329-D333 PolarHBondContact O-N 2.98Å
330	N	65.4	Low	65.7	Low	78 Å²	78	57.6 Å²	57.6	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-74.6	-5.9	-174	-55.6	1.4	0	0	0	112.9	S326 V328	S326-N330 PolarHBondContact O-ND2 2.89Å; S326-N330 VanDerWaalsContact O-ND2 3.15Å; S326-N330 PolarHBondContact O-OD1 3.11Å; V328-N330 VanDerWaalsContact C-N 3.32Å
331	T	57.8	Low	64.3	Low	97 Å²	97	58.2 Å²	58.2	60%	0.595	39%	0.392	S	S	*	.	H	α-helix	trans	-107.8	-10.3	173.5	39.2	0	0	0	0	113.1	S327 V328 S329	S327-T331 PolarHBondContact O-OG1 2.75Å; V328-T331 WeakPolarHBondContact CA-OG1 3.48Å; V328-T331 PolarHBondContact O-N 2.97Å; V328-T331 PolarHBondContact O-OG1 3.24Å; S329-T331 PolarHBondContact O-N 3.22Å; S329-T331 VanDerWaalsContact O-N 3.15Å
332	T	54.6	Low	63.6	Low	76 Å²	76	57.2 Å²	57.2	47%	0.466	39%	0.387	S	S	.	.	H	α-helix	trans	-88.9	-33.1	168.2	48.5	0	0	0	0	113.4	V328 S329	V328-T332 PolarHBondContact O-N 3.01Å; V328-T332 PolarHBondContact O-OG1 3.19Å; S329-T332 PolarHBondContact O-N 3.02Å; S329-T332 VanDerWaalsContact O-N 3.14Å; S329-T332 PolarHBondContact O-OG1 3.25Å
333	D	40.9	Very low	63	Low	74 Å²	74	56.9 Å²	56.9	40%	0.396	39%	0.387	S	S	.	.	S	Bend	trans	-118	118.3	-173.7	-58.2	-70.6	0	0	0	110.7	S329 A335 Y1800	S329-D333 PolarHBondContact O-N 2.98Å; D333-A335 PolarHBondContact O-N 2.85Å; D333-Y1800 HydrophobicContact CB-CE2 3.58Å
334	A	31.4	Very low	62.3	Low	96 Å²	96	57.8 Å²	57.8	79%	0.793	39%	0.391	S	S	*	.			trans	-87.3	68.4	-161.7	0	0	0	0	0	114.7
335	A	33.1	Very low	61.6	Low	29 Å²	29	63.7 Å²	63.7	24%	0.24	41%	0.414	C	S	.	.			trans	-145.7	148.3	157.6	0	0	0	0	0	111.4	D333 G1799 Y1800	D333-A335 PolarHBondContact O-N 2.85Å; A335-G1799 VanDerWaalsContact CB-C 3.47Å; A335-Y1800 HydrophobicContact CB-CD2 4.22Å
336	G	32.1	Very low	60.4	Low	74 Å²	74	69.7 Å²	69.7	76%	0.763	44%	0.442	S	S	*	.			trans	-88.7	179	-176.6	0	0	0	0	0	114.7
337	A	36.9	Very low	59.3	Low	93 Å²	93	70.5 Å²	70.5	77%	0.769	44%	0.443	S	S	*	.	S	Bend	trans	71.8	119.5	179.4	0	0	0	0	0	116.8
338	N	45.3	Very low	58	Low	156 Å²	156	73.5 Å²	73.5	83%	0.834	46%	0.46	S	S	*	.			trans	52.7	78.2	157.5	-58.2	-13.2	0	0	0	117.6
339	A	48.6	Very low	56.8	Low	41 Å²	41	80.3 Å²	80.3	34%	0.339	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-54.6	126.1	157.8	0	0	0	0	0	109.9	G341	A339-G341 PolarHBondContact O-N 2.95Å
340	P	51.6	Low	55.7	Low	82 Å²	82	83.9 Å²	83.9	53%	0.532	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-70.8	129.5	-171.8	27.8	-34.9	0	0	0	111	N356	P340-N356 HydrophobicContact CB-CB 4.36Å; P340-N356 HydrophobicContact CG-CB 4.31Å
341	G	57.3	Low	55.7	Low	57 Å²	57	81.4 Å²	81.4	59%	0.588	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-57.5	141.6	179.5	0	0	0	0	0	112.9	A339 Y343	A339-G341 PolarHBondContact O-N 2.95Å; G341-Y343 WeakPolarHBondContact O-CD1 3.2Å
342	V	74.3	Confident	56.5	Low	15 Å²	15	77.2 Å²	77.2	9%	0.091	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-72	130.9	177.8	170.1	0	0	0	0	110.6	V312 L321 D323 L354 Q357	V312-V342 HydrophobicContact CG1-CG1 4.35Å; L321-V342 HydrophobicContact CB-CB 4.48Å; L321-V342 HydrophobicContact CB-CG1 4.21Å; L321-V342 HydrophobicContact CD1-CG1 4.47Å; D323-V342 HydrophobicContact CB-CG2 3.73Å; V342-L354 HydrophobicContact CG1-CD1 3.42Å; V342-L354 VanDerWaalsContact CG1-CD1 3.42Å; V342-L354 HydrophobicContact CG1-CG 3.93Å; V342-Q357 HydrophobicContact CG2-CB 4.01Å
343	Y	78	Confident	57.4	Low	84 Å²	84	78.3 Å²	78.3	33%	0.329	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.4	176.4	50.8	-102.8	0	0	0	111.9	G341 R345 E355 N356	G341-Y343 WeakPolarHBondContact O-CD1 3.2Å; Y343-R345 HydrophobicContact CD2-CG 3.57Å; Y343-R345 HydrophobicContact CE2-CG 3.69Å; Y343-R345 PolarHBondContact OH-NH2 3.04Å; Y343-E355 HydrophobicContact CD2-CB 3.86Å; Y343-E355 HydrophobicContact CE2-CB 3.53Å; Y343-E355 HydrophobicContact CE2-CG 4.34Å; Y343-E355 PolarHBondContact N-O 2.79Å; Y343-E355 PolarHBondContact O-N 3.11Å; Y343-N356 HydrophobicContact CE1-CB 4.27Å; Y343-N356 WeakPolarHBondContact CE1-ND2 3.4Å; Y343-N356 PolarHBondContact OH-ND2 3.42Å
344	L	77.1	Confident	59.3	Low	30 Å²	30	75.5 Å²	75.5	16%	0.157	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.7	167.5	-76.4	161.2	0	0	0	109.1	L321 L354 K509 Q512 M513	L321-L344 HydrophobicContact CD1-CB 4.43Å; L321-L344 HydrophobicContact CD1-CD1 3.99Å; L321-L344 HydrophobicContact CD1-CG 3.87Å; L344-L354 HydrophobicContact CD2-CB 4.19Å; L344-L354 HydrophobicContact CD2-CD1 3.81Å; L344-L354 HydrophobicContact CG-CD1 3.9Å; L344-K509 HydrophobicContact CD1-CB 3.68Å; L344-K509 HydrophobicContact CD1-CG 3.98Å; L344-Q512 HydrophobicContact CD1-CB 4.08Å; L344-M513 HydrophobicContact CD1-CG 4.08Å; L344-M513 HydrophobicContact CD2-CG 4.17Å
345	R	78.5	Confident	61.4	Low	125 Å²	125	73.4 Å²	73.4	47%	0.472	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.1	168.5	-72.7	-124.3	-95.1	-126.2	-19.1	110.2	Y343 T352 Q353 E355	Y343-R345 HydrophobicContact CD2-CG 3.57Å; Y343-R345 HydrophobicContact CE2-CG 3.69Å; Y343-R345 PolarHBondContact OH-NH2 3.04Å; R345-T352 CarbonylContact O-C 3.53Å; R345-T352 WeakPolarHBondContact O-CA 3.37Å; R345-Q353 PolarHBondContact N-O 2.97Å; R345-Q353 PolarHBondContact O-N 2.84Å; R345-E355 HydrophobicContact CB-CG 4.48Å; R345-E355 VanDerWaalsContact CB-OE1 3.24Å; R345-E355 WeakPolarHBondContact CB-OE1 3.39Å; R345-E355 HydrophobicContact CG-CG 4.45Å; R345-E355 VanDerWaalsContact CG-OE1 3.29Å; R345-E355 WeakPolarHBondContact CG-OE1 3.34Å; R345-E355 IonicContact CZ-OE1 2.83Å; R345-E355 IonicContact CZ-OE2 3.18Å; R345-E355 VanDerWaalsContact NE-CD 3.32Å; R345-E355 IonicContact NE-OE1 3.79Å; R345-E355 PolarHBondContact NE-OE1 2.98Å; R345-E355 IonicContact NE-OE2 3.13Å; R345-E355 PolarHBondContact NE-OE2 2.89Å; R345-E355 IonicContact NH2-OE1 2.72Å; R345-E355 IonicContact NH2-OE2 2.7Å; R345-E355 PolarHBondContact NH2-OE2 2.72Å
346	E	68.6	Low	63.4	Low	126 Å²	126	74.2 Å²	74.2	59%	0.589	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	88.9	-174.7	-158.2	142.3	-158.6	0	0	108.4	P348 T352 Q512	E346-P348 WeakPolarHBondContact O-CD 3.49Å; E346-T352 HydrophobicContact CB-CG2 4.22Å; E346-T352 VanDerWaalsContact CD-CG2 3.45Å; E346-T352 HydrophobicContact CG-CG2 3.68Å; E346-T352 VanDerWaalsContact OE1-CG2 3.29Å; E346-T352 WeakPolarHBondContact OE1-CG2 3.4Å; E346-Q512 PolarHBondContact OE2-NE2 2.94Å
347	D	66.4	Low	65.8	Low	55 Å²	55	72.4 Å²	72.4	29%	0.294	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	123.5	176.3	173.7	1.7	0	0	0	109.1	I349 S350 G351	D347-I349 PolarHBondContact O-N 3.32Å; D347-I349 PolarHBondContact OD1-N 3.14Å; D347-S350 WeakPolarHBondContact OD2-CB 3.03Å; D347-S350 PolarHBondContact OD2-N 2.8Å; D347-S350 PolarHBondContact OD2-OG 2.91Å; D347-G351 WeakPolarHBondContact CB-O 3.24Å; D347-G351 PolarHBondContact N-O 2.86Å; D347-G351 VanDerWaalsContact O-CA 3.25Å; D347-G351 WeakPolarHBondContact O-CA 3.13Å; D347-G351 PolarHBondContact O-N 2.96Å
348	P	54	Low	68.2	Low	134 Å²	134	69 Å²	69	87%	0.87	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.2	175.7	-26.6	35.7	0	0	0	115	E346	E346-P348 WeakPolarHBondContact O-CD 3.49Å
349	I	60	Low	70.3	Confident	156 Å²	156	63.1 Å²	63.1	80%	0.8	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-51.8	-176.5	-54	179.2	0	0	0	111.4	D347	D347-I349 PolarHBondContact O-N 3.32Å; D347-I349 PolarHBondContact OD1-N 3.14Å
350	S	56.7	Low	72.5	Confident	84 Å²	84	62 Å²	62	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-20.8	-176.7	-48.3	0	0	0	0	114.2	D347	D347-S350 WeakPolarHBondContact OD2-CB 3.03Å; D347-S350 PolarHBondContact OD2-N 2.8Å; D347-S350 PolarHBondContact OD2-OG 2.91Å
351	G	67.3	Low	74.5	Confident	25 Å²	25	63.1 Å²	63.1	26%	0.258	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89.7	-160.8	-170.9	0	0	0	0	0	113	D347 Q353	D347-G351 WeakPolarHBondContact CB-O 3.24Å; D347-G351 PolarHBondContact N-O 2.86Å; D347-G351 VanDerWaalsContact O-CA 3.25Å; D347-G351 WeakPolarHBondContact O-CA 3.13Å; D347-G351 PolarHBondContact O-N 2.96Å; G351-Q353 PolarHBondContact O-N 2.86Å
352	T	72.8	Confident	76.4	Confident	9 Å²	9	60.4 Å²	60.4	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.9	-178.5	49.1	0	0	0	0	111.7	R345 E346 Q512	R345-T352 CarbonylContact O-C 3.53Å; R345-T352 WeakPolarHBondContact O-CA 3.37Å; E346-T352 HydrophobicContact CB-CG2 4.22Å; E346-T352 VanDerWaalsContact CD-CG2 3.45Å; E346-T352 HydrophobicContact CG-CG2 3.68Å; E346-T352 VanDerWaalsContact OE1-CG2 3.29Å; E346-T352 WeakPolarHBondContact OE1-CG2 3.4Å; T352-Q512 HydrophobicContact CG2-CB 3.79Å; T352-Q512 HydrophobicContact CG2-CG 3.76Å; T352-Q512 PolarHBondContact OG1-O 3.4Å
353	Q	75.4	Confident	77.4	Confident	100 Å²	100	64 Å²	64	47%	0.467	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.6	177.2	178.7	176	-29.2	0	0	110.1	R345 G351 E355 E516	R345-Q353 PolarHBondContact N-O 2.97Å; R345-Q353 PolarHBondContact O-N 2.84Å; G351-Q353 PolarHBondContact O-N 2.86Å; Q353-E355 PolarHBondContact O-N 3.09Å; Q353-E516 WeakPolarHBondContact CA-OE2 3.44Å
354	L	80.2	Confident	78.3	Confident	15 Å²	15	62.6 Å²	62.6	8%	0.079	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.3	177.7	-168.8	65	0	0	0	111	V312 L321 V342 L344 Q357 M513 E516	V312-L354 HydrophobicContact CB-CD2 4.33Å; V312-L354 HydrophobicContact CG1-CD2 4.3Å; V312-L354 HydrophobicContact CG2-CD2 4.03Å; L321-L354 HydrophobicContact CD1-CD1 4.22Å; L321-L354 HydrophobicContact CD2-CD1 4.15Å; V342-L354 HydrophobicContact CG1-CD1 3.42Å; V342-L354 VanDerWaalsContact CG1-CD1 3.42Å; V342-L354 HydrophobicContact CG1-CG 3.93Å; L344-L354 HydrophobicContact CD2-CB 4.19Å; L344-L354 HydrophobicContact CD2-CD1 3.81Å; L344-L354 HydrophobicContact CG-CD1 3.9Å; L354-Q357 PolarHBondContact O-NE2 2.96Å; L354-M513 HydrophobicContact CD2-CE 3.98Å; L354-E516 VanDerWaalsContact CB-OE2 3.32Å; L354-E516 WeakPolarHBondContact CB-OE2 3.29Å; L354-E516 PolarHBondContact N-OE2 2.94Å
355	E	75.9	Confident	79.2	Confident	51 Å²	51	62 Å²	62	24%	0.238	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	160.6	178.7	-76.7	-173.9	-130.1	0	0	112.3	Y343 R345 Q353 Q357	Y343-E355 HydrophobicContact CD2-CB 3.86Å; Y343-E355 HydrophobicContact CE2-CB 3.53Å; Y343-E355 HydrophobicContact CE2-CG 4.34Å; Y343-E355 PolarHBondContact N-O 2.79Å; Y343-E355 PolarHBondContact O-N 3.11Å; R345-E355 HydrophobicContact CB-CG 4.48Å; R345-E355 VanDerWaalsContact CB-OE1 3.24Å; R345-E355 WeakPolarHBondContact CB-OE1 3.39Å; R345-E355 HydrophobicContact CG-CG 4.45Å; R345-E355 VanDerWaalsContact CG-OE1 3.29Å; R345-E355 WeakPolarHBondContact CG-OE1 3.34Å; R345-E355 IonicContact CZ-OE1 2.83Å; R345-E355 IonicContact CZ-OE2 3.18Å; R345-E355 VanDerWaalsContact NE-CD 3.32Å; R345-E355 IonicContact NE-OE1 3.79Å; R345-E355 PolarHBondContact NE-OE1 2.98Å; R345-E355 IonicContact NE-OE2 3.13Å; R345-E355 PolarHBondContact NE-OE2 2.89Å; R345-E355 IonicContact NH2-OE1 2.72Å; R345-E355 IonicContact NH2-OE2 2.7Å; R345-E355 PolarHBondContact NH2-OE2 2.72Å; Q353-E355 PolarHBondContact O-N 3.09Å; E355-Q357 PolarHBondContact O-N 2.97Å
356	N	73.7	Confident	80.1	Confident	46 Å²	46	57.9 Å²	57.9	25%	0.246	32%	0.32	C	S	.	.	S	Bend	trans	56.5	13.1	176.6	-71.9	1.3	0	0	0	118.1	P340 Y343	P340-N356 HydrophobicContact CB-CB 4.36Å; P340-N356 HydrophobicContact CG-CB 4.31Å; Y343-N356 HydrophobicContact CE1-CB 4.27Å; Y343-N356 WeakPolarHBondContact CE1-ND2 3.4Å; Y343-N356 PolarHBondContact OH-ND2 3.42Å
357	Q	82.9	Confident	81.4	Confident	37 Å²	37	53.8 Å²	53.8	17%	0.173	30%	0.3	C	S	.	.			trans	-67.9	140.1	166.6	66.4	-175.3	-60.3	0	0	112.4	S310 V312 V342 L354 E355 E359	S310-Q357 VanDerWaalsContact CB-OE1 3.22Å; S310-Q357 PolarHBondContact OG-OE1 3.33Å; V312-Q357 HydrophobicContact CG2-CB 4.07Å; V342-Q357 HydrophobicContact CG2-CB 4.01Å; L354-Q357 PolarHBondContact O-NE2 2.96Å; E355-Q357 PolarHBondContact O-N 2.97Å; Q357-E359 PolarHBondContact O-N 3.32Å
358	S	87.3	Confident	82.9	Confident	20 Å²	20	51.2 Å²	51.2	14%	0.14	29%	0.286	C	S	.	.			trans	-65.7	120.2	172.2	-57.5	0	0	0	0	110.3	S310 D323	S310-S358 WeakPolarHBondContact CA-O 3.24Å; S310-S358 WeakPolarHBondContact CB-O 3.31Å; D323-S358 WeakPolarHBondContact OD2-CB 3.47Å; D323-S358 PolarHBondContact OD2-N 3.44Å; D323-S358 PolarHBondContact OD2-OG 2.98Å
359	E	90.5	Very high	85	Confident	33 Å²	33	44.8 Å²	44.8	15%	0.154	25%	0.245	C	C	.	.			trans	-111.9	68.1	179	-156.3	-167.4	102.4	0	0	109.5	R308 I309 Q357 Y423 R440	R308-E359 HydrophobicContact CB-CG 3.86Å; R308-E359 WeakPolarHBondContact CD-OE1 3.33Å; R308-E359 IonicContact CZ-OE1 3.67Å; R308-E359 PolarHBondContact NE-O 2.63Å; R308-E359 VanDerWaalsContact NE-O 3.12Å; R308-E359 IonicContact NE-OE1 3.87Å; R308-E359 PolarHBondContact NH1-O 3Å; R308-E359 IonicContact NH1-OE1 3.64Å; R308-E359 PolarHBondContact NH1-OE1 2.83Å; R308-E359 PolarHBondContact NH2-O 3.13Å; I309-E359 CarbonylContact O-C 3.56Å; I309-E359 WeakPolarHBondContact O-CA 3.21Å; Q357-E359 PolarHBondContact O-N 3.32Å; E359-Y423 WeakPolarHBondContact OE1-CE2 3.07Å; E359-Y423 PolarHBondContact OE1-OH 2.84Å; E359-R440 IonicContact OE1-NH1 2.66Å; E359-R440 IonicContact OE2-CZ 3.75Å; E359-R440 IonicContact OE2-NH1 3.33Å; E359-R440 PolarHBondContact OE2-NH1 2.91Å; E359-R440 IonicContact OE2-NH2 3.4Å; E359-R440 PolarHBondContact OE2-NH2 3.19Å
360	L	93.6	Very high	86.7	Confident	17 Å²	17	39.2 Å²	39.2	9%	0.089	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.2	-168.9	-60.4	-174.9	0	0	0	112.4	R308 I309 L325 V328 A362 Y371	R308-L360 CarbonylContact C-O 3.44Å; R308-L360 WeakPolarHBondContact CA-O 3.19Å; I309-L360 PolarHBondContact N-O 2.89Å; I309-L360 PolarHBondContact O-N 3.38Å; L325-L360 HydrophobicContact CB-CD1 3.93Å; L325-L360 HydrophobicContact CD1-CD1 4.28Å; L325-L360 HydrophobicContact CD1-CG 4.43Å; V328-L360 HydrophobicContact CB-CD1 4Å; V328-L360 HydrophobicContact CG1-CD1 4.18Å; L360-A362 PolarHBondContact O-N 2.71Å; L360-Y371 HydrophobicContact CB-CE1 3.97Å; L360-Y371 HydrophobicContact CB-CE2 3.99Å; L360-Y371 HydrophobicContact CD1-CD1 3.94Å; L360-Y371 HydrophobicContact CD1-CE1 3.45Å; L360-Y371 VanDerWaalsContact CD1-CE1 3.45Å; L360-Y371 HydrophobicContact CG-CE1 4.36Å
361	R	94.9	Very high	88.7	Confident	107 Å²	107	35.7 Å²	35.7	40%	0.404	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.2	-173	-174	172	167.5	-149.7	-13.4	112.1	S306 R308 P363 D788	S306-R361 PolarHBondContact OG-NE 2.96Å; R308-R361 HydrophobicContact CG-CB 4.26Å; R308-R361 HydrophobicContact CG-CG 4.33Å; R361-P363 WeakPolarHBondContact O-CD 3.42Å; R361-D788 IonicContact CZ-OD2 3.43Å; R361-D788 IonicContact NH1-OD2 2.72Å; R361-D788 PolarHBondContact NH1-OD2 3.24Å
362	A	96.6	Very high	90	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.			trans	-108	103	175.2	0	0	0	0	0	110	F291 V307 I309 L360 T364 A368 Y371	F291-A362 HydrophobicContact CZ-CB 4.19Å; F291-A362 WeakPolarHBondContact CZ-O 3.33Å; V307-A362 PolarHBondContact O-N 3.38Å; I309-A362 HydrophobicContact CD1-CB 4.22Å; I309-A362 HydrophobicContact CG1-CB 3.75Å; L360-A362 PolarHBondContact O-N 2.71Å; A362-T364 VanDerWaalsContact C-N 3.26Å; A362-T364 PolarHBondContact O-N 3.16Å; A362-A368 HydrophobicContact CB-CB 3.79Å; A362-Y371 HydrophobicContact CB-CD2 4.25Å; A362-Y371 HydrophobicContact CB-CE2 4.19Å
363	P	94.8	Very high	91.1	Very high	91 Å²	91	34.3 Å²	34.3	59%	0.591	18%	0.175	S	C	*	.	S	Bend	trans	-74.6	-18.1	177.7	30.9	-34.9	0	0	0	113	R361	R361-P363 WeakPolarHBondContact O-CD 3.42Å
364	T	96.3	Very high	91.9	Very high	54 Å²	54	30 Å²	30	33%	0.331	16%	0.156	S	C	.	.	S	Bend	trans	-140.4	163	-168.7	52.9	0	0	0	0	111.3	F291 A362 D366 K367 A368	F291-T364 WeakPolarHBondContact CZ-O 3.41Å; A362-T364 VanDerWaalsContact C-N 3.26Å; A362-T364 PolarHBondContact O-N 3.16Å; T364-D366 VanDerWaalsContact CB-OD1 3.24Å; T364-D366 WeakPolarHBondContact CB-OD1 3.47Å; T364-D366 VanDerWaalsContact CB-OD2 3.28Å; T364-D366 WeakPolarHBondContact CB-OD2 3.28Å; T364-D366 PolarHBondContact OG1-OD1 2.98Å; T364-D366 PolarHBondContact OG1-OD2 2.93Å; T364-K367 PolarHBondContact O-N 2.99Å; T364-K367 WeakPolarHBondContact OG1-CB 3.1Å; T364-K367 PolarHBondContact OG1-N 3.42Å; T364-A368 PolarHBondContact O-N 2.77Å; T364-A368 VanDerWaalsContact O-N 3.14Å
365	A	97.4	Very high	92.5	Very high	17 Å²	17	29.3 Å²	29.3	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-72.2	-42.2	-176	0	0	0	0	0	112.3	I131 I287 F291 A368 A369	I131-A365 HydrophobicContact CG2-CB 3.73Å; I287-A365 HydrophobicContact CG2-CB 4.23Å; I287-A365 WeakPolarHBondContact CG2-O 3.48Å; F291-A365 HydrophobicContact CB-CB 3.91Å; F291-A365 HydrophobicContact CD2-CB 3.93Å; F291-A365 HydrophobicContact CG-CB 3.94Å; A365-A368 PolarHBondContact O-N 3.37Å; A365-A369 WeakPolarHBondContact O-CB 3.13Å; A365-A369 PolarHBondContact O-N 2.87Å
366	D	96.3	Very high	93.3	Very high	39 Å²	39	27 Å²	27	21%	0.209	14%	0.141	C	C	.	.	H	α-helix	trans	-50.8	-52.2	167.3	44.1	-80.7	0	0	0	111.6	S128 H132 T364 A368 A369 F370	S128-D366 PolarHBondContact OG-O 3.16Å; H132-D366 HydrophobicContact CB-CB 4.26Å; T364-D366 VanDerWaalsContact CB-OD1 3.24Å; T364-D366 WeakPolarHBondContact CB-OD1 3.47Å; T364-D366 VanDerWaalsContact CB-OD2 3.28Å; T364-D366 WeakPolarHBondContact CB-OD2 3.28Å; T364-D366 PolarHBondContact OG1-OD1 2.98Å; T364-D366 PolarHBondContact OG1-OD2 2.93Å; D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 3.1Å; D366-A369 CarbonylContact O-C 3.56Å; D366-A369 PolarHBondContact O-N 3.48Å; D366-A369 VanDerWaalsContact O-N 3.07Å; D366-F370 PolarHBondContact O-N 2.96Å
367	K	97	Very high	94	Very high	40 Å²	40	25.3 Å²	25.3	17%	0.174	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-32.8	179.7	-166	60.6	179.5	175.3	0	113.3	Y117 T364 F370 Y371	Y117-K367 HydrophobicContact CE2-CD 4.21Å; Y117-K367 WeakPolarHBondContact OH-CD 3.42Å; T364-K367 PolarHBondContact O-N 2.99Å; T364-K367 WeakPolarHBondContact OG1-CB 3.1Å; T364-K367 PolarHBondContact OG1-N 3.42Å; K367-F370 HydrophobicContact CD-CB 4.34Å; K367-F370 HydrophobicContact CD-CD1 3.99Å; K367-F370 HydrophobicContact CD-CG 4.34Å; K367-Y371 HydrophobicContact CD-CE2 4.45Å; K367-Y371 HydrophobicContact CG-CD2 4.46Å; K367-Y371 HydrophobicContact CG-CE2 3.85Å; K367-Y371 WeakPolarHBondContact O-CD2 3.41Å; K367-Y371 PolarHBondContact O-N 3.16Å
368	A	97.9	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-35.9	171.7	0	0	0	0	0	112.6	I287 F291 I309 A362 T364 A365 D366 Y371 L372	I287-A368 HydrophobicContact CG2-CB 3.73Å; F291-A368 HydrophobicContact CE2-CB 3.63Å; F291-A368 HydrophobicContact CZ-CB 4.11Å; I309-A368 HydrophobicContact CD1-CB 3.91Å; I309-A368 HydrophobicContact CG1-CB 4.27Å; A362-A368 HydrophobicContact CB-CB 3.79Å; T364-A368 PolarHBondContact O-N 2.77Å; T364-A368 VanDerWaalsContact O-N 3.14Å; A365-A368 PolarHBondContact O-N 3.37Å; D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 3.1Å; A368-Y371 PolarHBondContact O-N 2.73Å; A368-L372 PolarHBondContact O-N 2.96Å
369	A	97.2	Very high	94	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-74.2	-36	175.2	0	0	0	0	0	112.5	F127 I131 I287 A365 D366 Y371 L372 D373	F127-A369 HydrophobicContact CB-CB 4.29Å; I131-A369 HydrophobicContact CB-CB 4.46Å; I131-A369 HydrophobicContact CD1-CB 3.64Å; I287-A369 HydrophobicContact CD1-CB 4.48Å; A365-A369 WeakPolarHBondContact O-CB 3.13Å; A365-A369 PolarHBondContact O-N 2.87Å; D366-A369 CarbonylContact O-C 3.56Å; D366-A369 PolarHBondContact O-N 3.48Å; D366-A369 VanDerWaalsContact O-N 3.07Å; A369-Y371 VanDerWaalsContact C-N 3.26Å; A369-Y371 PolarHBondContact O-N 2.68Å; A369-L372 CarbonylContact O-C 3.51Å; A369-L372 WeakPolarHBondContact O-CA 3.48Å; A369-L372 WeakPolarHBondContact O-CB 3.38Å; A369-L372 PolarHBondContact O-N 3.03Å; A369-D373 PolarHBondContact O-N 2.96Å
370	F	96.7	Very high	93.2	Very high	39 Å²	39	26.9 Å²	26.9	17%	0.171	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-38.2	168.6	170.1	-87.5	0	0	0	112.1	Y117 V328 D366 K367 L372 D373 S374	Y117-F370 HydrophobicContact CE1-CD2 4.28Å; V328-F370 HydrophobicContact CG1-CE1 4Å; D366-F370 PolarHBondContact O-N 2.96Å; K367-F370 HydrophobicContact CD-CB 4.34Å; K367-F370 HydrophobicContact CD-CD1 3.99Å; K367-F370 HydrophobicContact CD-CG 4.34Å; F370-L372 VanDerWaalsContact C-N 3.31Å; F370-D373 PolarHBondContact O-N 2.75Å; F370-S374 WeakPolarHBondContact CE1-OG 3.39Å; F370-S374 VanDerWaalsContact O-CB 3.29Å; F370-S374 WeakPolarHBondContact O-CB 2.99Å; F370-S374 PolarHBondContact O-N 3.45Å; F370-S374 PolarHBondContact O-OG 2.99Å
371	Y	97.3	Very high	92	Very high	10 Å²	10	31.6 Å²	31.6	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-69.9	-26.8	172.7	-66.7	-51	0	0	0	112.7	I309 L325 V328 L360 A362 K367 A368 A369 A375	I309-Y371 HydrophobicContact CB-CD2 4.26Å; I309-Y371 HydrophobicContact CG1-CD2 3.97Å; L325-Y371 HydrophobicContact CD2-CD1 4.31Å; L325-Y371 WeakPolarHBondContact CD2-O 3.1Å; V328-Y371 HydrophobicContact CG1-CD1 4.06Å; V328-Y371 HydrophobicContact CG1-CE1 3.69Å; L360-Y371 HydrophobicContact CB-CE1 3.97Å; L360-Y371 HydrophobicContact CB-CE2 3.99Å; L360-Y371 HydrophobicContact CD1-CD1 3.94Å; L360-Y371 HydrophobicContact CD1-CE1 3.45Å; L360-Y371 VanDerWaalsContact CD1-CE1 3.45Å; L360-Y371 HydrophobicContact CG-CE1 4.36Å; A362-Y371 HydrophobicContact CB-CD2 4.25Å; A362-Y371 HydrophobicContact CB-CE2 4.19Å; K367-Y371 HydrophobicContact CD-CE2 4.45Å; K367-Y371 HydrophobicContact CG-CD2 4.46Å; K367-Y371 HydrophobicContact CG-CE2 3.85Å; K367-Y371 WeakPolarHBondContact O-CD2 3.41Å; K367-Y371 PolarHBondContact O-N 3.16Å; A368-Y371 PolarHBondContact O-N 2.73Å; A369-Y371 VanDerWaalsContact C-N 3.26Å; A369-Y371 PolarHBondContact O-N 2.68Å; Y371-A375 VanDerWaalsContact O-CB 3.29Å; Y371-A375 WeakPolarHBondContact O-CB 3.11Å; Y371-A375 PolarHBondContact O-N 3.31Å; Y371-A375 VanDerWaalsContact O-N 3.1Å
372	L	95.8	Very high	90.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-55.4	167.7	-178.1	66.3	0	0	0	110.5	F127 F271 I283 I287 A368 A369 F370 S374 A375 L376 F418	F127-L372 HydrophobicContact CD2-CD2 3.8Å; F127-L372 HydrophobicContact CD2-CG 4.34Å; F127-L372 HydrophobicContact CE2-CD2 4.32Å; F127-L372 HydrophobicContact CG-CD2 4.31Å; F271-L372 HydrophobicContact CD1-CD1 4.29Å; F271-L372 HydrophobicContact CE1-CD1 4.19Å; I283-L372 HydrophobicContact CB-CD2 4.32Å; I283-L372 HydrophobicContact CG2-CD1 3.92Å; I283-L372 HydrophobicContact CG2-CD2 3.8Å; I283-L372 HydrophobicContact CG2-CG 4.47Å; I287-L372 HydrophobicContact CD1-CB 4.44Å; I287-L372 HydrophobicContact CD1-CD2 4.31Å; A368-L372 PolarHBondContact O-N 2.96Å; A369-L372 CarbonylContact O-C 3.51Å; A369-L372 WeakPolarHBondContact O-CA 3.48Å; A369-L372 WeakPolarHBondContact O-CB 3.38Å; A369-L372 PolarHBondContact O-N 3.03Å; F370-L372 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.2Å; L372-A375 PolarHBondContact O-N 3.02Å; L372-L376 HydrophobicContact CD1-CD2 3.65Å; L372-L376 HydrophobicContact CD1-CG 4.37Å; L372-L376 HydrophobicContact CG-CD2 4.12Å; L372-L376 HydrophobicContact CG-CG 4.29Å; L372-L376 VanDerWaalsContact O-CG 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.34Å; L372-L376 PolarHBondContact O-N 2.77Å; L372-F418 HydrophobicContact CB-CE2 3.97Å; L372-F418 HydrophobicContact CB-CZ 4.02Å; L372-F418 HydrophobicContact CD1-CD2 3.88Å; L372-F418 HydrophobicContact CD1-CE2 3.81Å; L372-F418 HydrophobicContact CD1-CG 4.39Å; L372-F418 HydrophobicContact CD1-CZ 4.26Å
373	D	94.7	Very high	88.5	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-54.3	-41.2	179	-64.8	-45.2	0	0	0	112	C123 T125 F127 S128 A369 F370 S377	C123-D373 HydrophobicContact CB-CB 3.98Å; T125-D373 VanDerWaalsContact C-OD1 3.27Å; T125-D373 WeakPolarHBondContact CB-OD1 3.21Å; T125-D373 VanDerWaalsContact O-OD1 3.11Å; T125-D373 PolarHBondContact OG1-OD1 2.87Å; F127-D373 WeakPolarHBondContact CB-OD1 3.38Å; F127-D373 VanDerWaalsContact CD2-OD1 3.24Å; F127-D373 WeakPolarHBondContact CD2-OD1 3.29Å; F127-D373 PolarHBondContact N-OD1 2.9Å; F127-D373 PolarHBondContact N-OD2 3.07Å; F127-D373 VanDerWaalsContact N-OD2 3.15Å; S128-D373 WeakPolarHBondContact CB-OD2 3.44Å; S128-D373 PolarHBondContact N-OD2 2.71Å; A369-D373 PolarHBondContact O-N 2.96Å; F370-D373 PolarHBondContact O-N 2.75Å; D373-S377 WeakPolarHBondContact O-CB 3.29Å; D373-S377 PolarHBondContact O-N 2.83Å; D373-S377 VanDerWaalsContact O-N 3.09Å; D373-S377 PolarHBondContact O-OG 3.15Å
374	S	93.8	Very high	86.4	Confident	11 Å²	11	30.6 Å²	30.6	8%	0.077	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-47.6	173.6	-60.1	0	0	0	0	112	F370 L372 S377 A378	F370-S374 WeakPolarHBondContact CE1-OG 3.39Å; F370-S374 VanDerWaalsContact O-CB 3.29Å; F370-S374 WeakPolarHBondContact O-CB 2.99Å; F370-S374 PolarHBondContact O-N 3.45Å; F370-S374 PolarHBondContact O-OG 2.99Å; L372-S374 PolarHBondContact O-N 3.2Å; S374-S377 PolarHBondContact O-N 2.83Å; S374-A378 WeakPolarHBondContact O-CB 3.38Å; S374-A378 PolarHBondContact O-N 3.19Å
375	A	93	Very high	84	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-38.1	-179.6	0	0	0	0	0	112.5	A311 L324 L325 Y371 L372 S377 A378 S379	A311-A375 HydrophobicContact CB-CB 3.75Å; L324-A375 HydrophobicContact CB-CB 3.72Å; L324-A375 HydrophobicContact CD1-CB 4.04Å; L325-A375 HydrophobicContact CD2-CB 4.1Å; Y371-A375 VanDerWaalsContact O-CB 3.29Å; Y371-A375 WeakPolarHBondContact O-CB 3.11Å; Y371-A375 PolarHBondContact O-N 3.31Å; Y371-A375 VanDerWaalsContact O-N 3.1Å; L372-A375 PolarHBondContact O-N 3.02Å; A375-S377 VanDerWaalsContact C-N 3.31Å; A375-S377 PolarHBondContact O-N 3.02Å; A375-A378 PolarHBondContact O-N 3.48Å; A375-S379 PolarHBondContact O-N 2.96Å
376	L	90.8	Very high	81.5	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-44	175.5	-54.4	-148.9	0	0	0	110.1	T125 F127 F271 L372 A378 S379 Y380 I408 W410	T125-L376 HydrophobicContact CG2-CD1 4Å; F127-L376 HydrophobicContact CD2-CD1 4.45Å; F127-L376 HydrophobicContact CE2-CD1 3.88Å; F271-L376 HydrophobicContact CD1-CD1 4.04Å; F271-L376 HydrophobicContact CD1-CD2 4.06Å; F271-L376 HydrophobicContact CE1-CD1 4.47Å; F271-L376 HydrophobicContact CE1-CD2 3.72Å; F271-L376 HydrophobicContact CG-CD1 4.27Å; F271-L376 HydrophobicContact CZ-CD2 4.32Å; L372-L376 HydrophobicContact CD1-CD2 3.65Å; L372-L376 HydrophobicContact CD1-CG 4.37Å; L372-L376 HydrophobicContact CG-CD2 4.12Å; L372-L376 HydrophobicContact CG-CG 4.29Å; L372-L376 VanDerWaalsContact O-CG 3.24Å; L372-L376 WeakPolarHBondContact O-CG 3.34Å; L372-L376 PolarHBondContact O-N 2.77Å; L376-A378 PolarHBondContact O-N 3.35Å; L376-S379 PolarHBondContact O-N 3.4Å; L376-Y380 PolarHBondContact O-N 3.49Å; L376-Y380 VanDerWaalsContact O-N 3.07Å; L376-I408 HydrophobicContact CD1-CD1 3.88Å; L376-W410 HydrophobicContact CD2-CH2 3.78Å; L376-W410 HydrophobicContact CD2-CZ2 3.8Å
377	S	89.7	Confident	78.6	Confident	10 Å²	10	36.9 Å²	36.9	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-35.9	178.4	-54.2	0	0	0	0	112.5	C123 L124 D373 S374 A375 Q381	C123-S377 VanDerWaalsContact CA-OG 3.24Å; C123-S377 WeakPolarHBondContact CA-OG 3.42Å; C123-S377 WeakPolarHBondContact CB-OG 3.34Å; L124-S377 PolarHBondContact N-OG 3.29Å; D373-S377 WeakPolarHBondContact O-CB 3.29Å; D373-S377 PolarHBondContact O-N 2.83Å; D373-S377 VanDerWaalsContact O-N 3.09Å; D373-S377 PolarHBondContact O-OG 3.15Å; S374-S377 PolarHBondContact O-N 2.83Å; A375-S377 VanDerWaalsContact C-N 3.31Å; A375-S377 PolarHBondContact O-N 3.02Å; S377-Q381 WeakPolarHBondContact O-CG 3.43Å; S377-Q381 PolarHBondContact O-N 3.35Å; S377-Q381 VanDerWaalsContact O-N 3.14Å
378	A	87.7	Confident	75.9	Confident	7 Å²	7	41 Å²	41	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-37.7	176.5	0	0	0	0	0	113.3	L324 S374 A375 L376	L324-A378 HydrophobicContact CB-CB 4.28Å; L324-A378 HydrophobicContact CD2-CB 4.21Å; L324-A378 WeakPolarHBondContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.38Å; S374-A378 PolarHBondContact O-N 3.19Å; A375-A378 PolarHBondContact O-N 3.48Å; L376-A378 PolarHBondContact O-N 3.35Å
379	S	82.5	Confident	73.1	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-43.8	172.9	175.8	0	0	0	0	110.9	E313 A375 L376 Q381 S382 W410	E313-S379 PolarHBondContact OE1-OG 3.27Å; A375-S379 PolarHBondContact O-N 2.96Å; L376-S379 PolarHBondContact O-N 3.4Å; S379-Q381 VanDerWaalsContact C-N 3.34Å; S379-Q381 PolarHBondContact O-N 3.03Å; S379-S382 WeakPolarHBondContact O-CB 3.48Å; S379-S382 PolarHBondContact O-N 3.04Å; S379-W410 WeakPolarHBondContact OG-CZ3 3.49Å
380	Y	73.8	Confident	70.2	Confident	110 Å²	110	49.9 Å²	49.9	43%	0.431	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-42.7	177.4	-170.1	-92.7	0	0	0	112.8	L124 L376 S382 V383	L124-Y380 HydrophobicContact CD1-CD1 3.74Å; L124-Y380 HydrophobicContact CD1-CD2 4.45Å; L124-Y380 HydrophobicContact CD1-CE1 4.44Å; L124-Y380 HydrophobicContact CD1-CG 3.75Å; L124-Y380 HydrophobicContact CD2-CD1 4.06Å; L124-Y380 HydrophobicContact CD2-CD2 3.92Å; L124-Y380 HydrophobicContact CD2-CE1 4.05Å; L124-Y380 HydrophobicContact CD2-CE2 3.91Å; L124-Y380 HydrophobicContact CD2-CG 4Å; L376-Y380 PolarHBondContact O-N 3.49Å; L376-Y380 VanDerWaalsContact O-N 3.07Å; Y380-S382 PolarHBondContact O-N 3.06Å; Y380-S382 VanDerWaalsContact O-N 3.17Å; Y380-V383 WeakPolarHBondContact O-CB 3.41Å; Y380-V383 WeakPolarHBondContact O-CG2 3.06Å; Y380-V383 PolarHBondContact O-N 3.39Å
381	Q	68.2	Low	67.3	Low	116 Å²	116	57.2 Å²	57.2	54%	0.542	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-21.5	175.5	-72	171.9	25.2	0	0	113.6	S377 S379 V383 T384	S377-Q381 WeakPolarHBondContact O-CG 3.43Å; S377-Q381 PolarHBondContact O-N 3.35Å; S377-Q381 VanDerWaalsContact O-N 3.14Å; S379-Q381 VanDerWaalsContact C-N 3.34Å; S379-Q381 PolarHBondContact O-N 3.03Å; Q381-V383 PolarHBondContact O-N 3.35Å; Q381-T384 PolarHBondContact O-N 3.37Å; Q381-T384 PolarHBondContact O-OG1 3.48Å
382	S	61.8	Low	64.3	Low	8 Å²	8	60.9 Å²	60.9	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-70.2	-12.6	173.5	-160.5	0	0	0	0	113.6	R322 S379 Y380 K411	R322-S382 VanDerWaalsContact NH1-CB 3.25Å; R322-S382 PolarHBondContact NH1-OG 2.98Å; S379-S382 WeakPolarHBondContact O-CB 3.48Å; S379-S382 PolarHBondContact O-N 3.04Å; Y380-S382 PolarHBondContact O-N 3.06Å; Y380-S382 VanDerWaalsContact O-N 3.17Å; S382-K411 VanDerWaalsContact O-CE 3.24Å; S382-K411 WeakPolarHBondContact O-CE 3.23Å; S382-K411 PolarHBondContact O-NZ 3.48Å; S382-K411 PolarHBondContact OG-NZ 2.88Å; S382-K411 VanDerWaalsContact OG-NZ 3.11Å
383	V	56.8	Low	61.5	Low	68 Å²	68	67 Å²	67	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-78.1	-30.8	176.1	-176.3	0	0	0	0	111.1	Y380 Q381 K411	Y380-V383 WeakPolarHBondContact O-CB 3.41Å; Y380-V383 WeakPolarHBondContact O-CG2 3.06Å; Y380-V383 PolarHBondContact O-N 3.39Å; Q381-V383 PolarHBondContact O-N 3.35Å; V383-K411 HydrophobicContact CG2-CG 4.2Å
384	T	48.9	Very low	58.2	Low	101 Å²	101	72.8 Å²	72.8	62%	0.62	42%	0.42	S	S	*	.	H	α-helix	trans	-85.9	-19.4	-173.2	42.9	0	0	0	0	115.4	Q381	Q381-T384 PolarHBondContact O-N 3.37Å; Q381-T384 PolarHBondContact O-OG1 3.48Å
385	T	46.4	Very low	55.2	Low	92 Å²	92	76.3 Å²	76.3	56%	0.564	45%	0.45	S	S	*	.	S	Bend	trans	-88.2	-23.9	-175.8	50.2	0	0	0	0	114.5	S387	T385-S387 PolarHBondContact O-N 2.78Å
386	D	45	Very low	52.2	Low	59 Å²	59	81.4 Å²	81.4	32%	0.316	49%	0.486	S	S	.	.			trans	-91.3	47.3	-166	-55.5	-6.9	0	0	0	111.2	S388 S389 K411	D386-S388 PolarHBondContact O-N 2.99Å; D386-S389 PolarHBondContact O-N 2.78Å; D386-S389 PolarHBondContact O-OG 2.97Å; D386-K411 IonicContact OD2-NZ 2.87Å; D386-K411 PolarHBondContact OD2-NZ 3.35Å
387	S	35.6	Very low	49.2	Very low	92 Å²	92	85.1 Å²	85.1	64%	0.643	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-8	-166.4	-42.3	0	0	0	0	115.3	T385 S389	T385-S387 PolarHBondContact O-N 2.78Å; S387-S389 VanDerWaalsContact C-N 3.35Å
388	S	39.5	Very low	46.3	Very low	127 Å²	127	90.6 Å²	90.6	89%	0.888	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.5	173.2	53.8	0	0	0	0	114.1	D386	D386-S388 PolarHBondContact O-N 2.99Å
389	S	40.3	Very low	43.3	Very low	85 Å²	85	96.6 Å²	96.6	59%	0.594	58%	0.578	S	S	*	*	S	Bend	trans	-107.7	-8	178.9	65.8	0	0	0	0	114.4	D386 S387 K391	D386-S389 PolarHBondContact O-N 2.78Å; D386-S389 PolarHBondContact O-OG 2.97Å; S387-S389 VanDerWaalsContact C-N 3.35Å; S389-K391 PolarHBondContact O-N 2.9Å
390	V	36.5	Very low	40.8	Very low	101 Å²	101	100.6 Å²	100.6	61%	0.612	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	63.2	-175.3	-166.7	0	0	0	0	111.3
391	K	35.3	Very low	38.5	Very low	193 Å²	193	102.1 Å²	102.1	84%	0.839	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130	-8	166.5	-105.6	-168.6	175.3	-170	0	114.6	S389	S389-K391 PolarHBondContact O-N 2.9Å
392	S	35.1	Very low	36.6	Very low	87 Å²	87	103.6 Å²	103.6	61%	0.608	63%	0.631	S	S	*	*	S	Bend	trans	-119.9	66.8	171.9	-175	0	0	0	0	109.6
393	L	35.9	Very low	35.1	Very low	129 Å²	129	106.5 Å²	106.5	68%	0.675	65%	0.651	S	S	*	*			trans	-164.6	31.3	165	-114	170.9	0	0	0	111.5	A395	L393-A395 PolarHBondContact O-N 2.95Å
394	T	26.3	Very low	33.9	Very low	125 Å²	125	108.1 Å²	108.1	77%	0.767	67%	0.666	S	S	*	*	S	Bend	trans	-71.7	107.9	171.8	41.5	0	0	0	0	110.2	S396	T394-S396 PolarHBondContact O-N 3.12Å
395	A	29.9	Very low	33.3	Very low	85 Å²	85	105.5 Å²	105.5	70%	0.702	65%	0.651	S	S	*	*			trans	49.5	61.6	158.9	0	0	0	0	0	116.9	L393 S397	L393-A395 PolarHBondContact O-N 2.95Å; A395-S397 PolarHBondContact O-N 2.92Å
396	S	30	Very low	33	Very low	107 Å²	107	105.8 Å²	105.8	75%	0.748	66%	0.655	S	S	*	*	S	Bend	trans	-71.6	70	150.4	63.5	0	0	0	0	109.9	T394	T394-S396 PolarHBondContact O-N 3.12Å
397	S	28.9	Very low	33	Very low	79 Å²	79	107.3 Å²	107.3	55%	0.552	67%	0.666	S	S	*	*			trans	55	112.8	176.8	-149.3	0	0	0	0	118.3	A395 L399	A395-S397 PolarHBondContact O-N 2.92Å; S397-L399 PolarHBondContact O-N 3.35Å; S397-L399 WeakPolarHBondContact OG-CB 3.32Å
398	P	27.4	Very low	33.7	Very low	126 Å²	126	104.9 Å²	104.9	82%	0.818	65%	0.646	S	S	*	*			trans	-78.2	60.9	163	35.4	-34.3	0	0	0	110.5
399	L	26.1	Very low	34.1	Very low	133 Å²	133	104.7 Å²	104.7	70%	0.696	63%	0.634	S	S	*	*			trans	-128.9	80.3	-175.1	-169.7	74.6	0	0	0	111	S397	S397-L399 PolarHBondContact O-N 3.35Å; S397-L399 WeakPolarHBondContact OG-CB 3.32Å
400	D	28.2	Very low	34.9	Very low	90 Å²	90	102 Å²	102	48%	0.481	61%	0.611	S	S	.	*				179.9	87.4	129.8	-98.3	-5.9	0	0	0	110.5	N402 S403	D400-N402 PolarHBondContact O-N 2.84Å; D400-S403 PolarHBondContact O-N 3.06Å; D400-S403 PolarHBondContact O-OG 2.93Å
401	T	27.3	Very low	35.9	Very low	142 Å²	142	99.7 Å²	99.7	87%	0.871	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	2.8	178.5	39.9	0	0	0	0	114.7
402	N	27.7	Very low	37	Very low	147 Å²	147	97.4 Å²	97.4	79%	0.786	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-4	-177.3	-69.5	-41.1	0	0	0	114.4	D400 S404	D400-N402 PolarHBondContact O-N 2.84Å; N402-S404 PolarHBondContact O-N 3.17Å
403	S	30.9	Very low	38.8	Very low	69 Å²	69	96.1 Å²	96.1	48%	0.483	57%	0.565	S	S	.	*			trans	-80.6	105.2	173	67.2	0	0	0	0	110.3	D400 S405	D400-S403 PolarHBondContact O-N 3.06Å; D400-S403 PolarHBondContact O-OG 2.93Å; S403-S405 PolarHBondContact O-N 2.86Å
404	S	29.9	Very low	41.1	Very low	102 Å²	102	90.2 Å²	90.2	71%	0.713	54%	0.535	S	S	*	.			trans	-77.8	17.9	-165.5	65.3	0	0	0	0	115.8	K275 N402	K275-S404 WeakPolarHBondContact CE-O 3.45Å; K275-S404 VanDerWaalsContact NZ-C 3.3Å; K275-S404 PolarHBondContact NZ-O 3.2Å; K275-S404 PolarHBondContact NZ-OG 3.17Å; N402-S404 PolarHBondContact O-N 3.17Å
405	S	37.9	Very low	44.1	Very low	45 Å²	45	84.9 Å²	84.9	32%	0.315	50%	0.501	S	S	.	.	S	Bend	trans	-133.8	128.1	178.5	-80	0	0	0	0	109.8	K275 S403 T407	K275-S405 WeakPolarHBondContact CE-OG 3.46Å; K275-S405 PolarHBondContact NZ-OG 2.89Å; S403-S405 PolarHBondContact O-N 2.86Å; S405-T407 PolarHBondContact O-N 3.19Å
406	P	38.4	Very low	47.1	Very low	99 Å²	99	81 Å²	81	64%	0.643	47%	0.469	S	S	*	.			trans	-66.6	99.7	170.1	28.9	-32.5	0	0	0	108.3	I408	P406-I408 PolarHBondContact O-N 2.94Å
407	T	44.9	Very low	50.2	Low	90 Å²	90	76.4 Å²	76.4	55%	0.552	44%	0.435	S	S	*	.			trans	-61.4	103.7	172.7	-67.6	0	0	0	0	107.1	S405 L409	S405-T407 PolarHBondContact O-N 3.19Å; T407-L409 PolarHBondContact O-N 3.42Å
408	I	51	Low	53.4	Low	42 Å²	42	72.6 Å²	72.6	22%	0.215	41%	0.409	C	S	.	.			trans	-56.4	106.8	-171.9	-53.7	175.5	0	0	0	107.7	T125 L376 P406 W410	T125-I408 HydrophobicContact CG2-CD1 3.95Å; L376-I408 HydrophobicContact CD1-CD1 3.88Å; P406-I408 PolarHBondContact O-N 2.94Å; I408-W410 HydrophobicContact CG2-CD2 4.35Å; I408-W410 HydrophobicContact CG2-CG 4.23Å; I408-W410 HydrophobicContact CG2-CZ2 4.49Å; I408-W410 PolarHBondContact O-N 3.03Å
409	L	48.2	Very low	56.8	Low	122 Å²	122	66.9 Å²	66.9	64%	0.639	37%	0.371	S	S	*	.			trans	-86	68.5	-174.3	-154.1	156.1	0	0	0	108	T407	T407-L409 PolarHBondContact O-N 3.42Å
410	W	56.6	Low	60.2	Low	28 Å²	28	60.6 Å²	60.6	11%	0.106	34%	0.338	C	S	.	.			trans	-46.4	139.7	171.2	-67.3	90.1	0	0	0	109.3	F271 L376 S379 I408 R412 L416	F271-W410 HydrophobicContact CD2-CZ2 4.13Å; F271-W410 AromaticContact CD2-NE1 3.92Å; F271-W410 HydrophobicContact CE1-CZ2 4.03Å; F271-W410 AromaticContact CE2-CE2 3.51Å; F271-W410 HydrophobicContact CE2-CH2 4.31Å; F271-W410 AromaticContact CE2-CZ2 3.32Å; F271-W410 HydrophobicContact CE2-CZ2 3.32Å; F271-W410 AromaticContact CE2-NE1 3.44Å; F271-W410 AromaticContact CZ-CE2 3.91Å; F271-W410 AromaticContact CZ-CH2 3.86Å; F271-W410 HydrophobicContact CZ-CH2 3.86Å; F271-W410 AromaticContact CZ-CZ2 3.26Å; F271-W410 HydrophobicContact CZ-CZ2 3.26Å; L376-W410 HydrophobicContact CD2-CH2 3.78Å; L376-W410 HydrophobicContact CD2-CZ2 3.8Å; S379-W410 WeakPolarHBondContact OG-CZ3 3.49Å; I408-W410 HydrophobicContact CG2-CD2 4.35Å; I408-W410 HydrophobicContact CG2-CG 4.23Å; I408-W410 HydrophobicContact CG2-CZ2 4.49Å; I408-W410 PolarHBondContact O-N 3.03Å; W410-R412 PolarHBondContact O-N 2.84Å; W410-L416 HydrophobicContact CH2-CD2 4.02Å
411	K	57.6	Low	63.4	Low	53 Å²	53	56.4 Å²	56.4	23%	0.23	32%	0.316	C	S	.	.			trans	-51	121.4	172.1	-75	-179.6	175.1	176	0	107	S382 V383 D386 N413 S414	S382-K411 VanDerWaalsContact O-CE 3.24Å; S382-K411 WeakPolarHBondContact O-CE 3.23Å; S382-K411 PolarHBondContact O-NZ 3.48Å; S382-K411 PolarHBondContact OG-NZ 2.88Å; S382-K411 VanDerWaalsContact OG-NZ 3.11Å; V383-K411 HydrophobicContact CG2-CG 4.2Å; D386-K411 IonicContact OD2-NZ 2.87Å; D386-K411 PolarHBondContact OD2-NZ 3.35Å; K411-N413 PolarHBondContact O-N 3Å; K411-S414 PolarHBondContact O-N 2.82Å
412	R	59.8	Low	66.7	Low	145 Å²	145	49.7 Å²	49.7	55%	0.547	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-22.4	-178.4	-73	-175.3	176	-172.6	-3.1	113.2	W410 N450 D456	W410-R412 PolarHBondContact O-N 2.84Å; R412-N450 WeakPolarHBondContact O-CA 3.42Å; R412-N450 PolarHBondContact O-N 3Å; R412-D456 IonicContact CZ-OD2 3.66Å; R412-D456 IonicContact NH1-OD2 3.78Å; R412-D456 PolarHBondContact NH1-OD2 2.93Å; R412-D456 IonicContact NH2-OD2 2.8Å
413	N	71.7	Confident	70	Confident	60 Å²	60	44.2 Å²	44.2	32%	0.321	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	29.1	-174.2	-58.4	-14.5	0	0	0	114	G316 K411 M483	G316-N413 PolarHBondContact N-O 2.87Å; K411-N413 PolarHBondContact O-N 3Å; N413-M483 HydrophobicContact CB-CE 3.46Å; N413-M483 VanDerWaalsContact CB-CE 3.46Å; N413-M483 HydrophobicContact CB-SD 3.59Å; N413-M483 VanDerWaalsContact CB-SD 3.59Å
414	S	84.3	Confident	72.9	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.5	169.2	78.2	0	0	0	0	113.7	E313 L314 K411 G449	E313-S414 VanDerWaalsContact OE1-CB 3.32Å; E313-S414 WeakPolarHBondContact OE1-CB 3.41Å; E313-S414 PolarHBondContact OE1-OG 2.81Å; L314-S414 CarbonylContact O-C 3.56Å; L314-S414 VanDerWaalsContact O-CA 3.25Å; L314-S414 WeakPolarHBondContact O-CA 3.37Å; K411-S414 PolarHBondContact O-N 2.82Å; S414-G449 WeakPolarHBondContact O-CA 3.31Å; S414-G449 PolarHBondContact O-N 3.2Å; S414-G449 VanDerWaalsContact O-N 3.08Å
415	H	90.1	Very high	75.7	Confident	13 Å²	13	40.3 Å²	40.3	6%	0.06	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.4	-178.4	-52	-80.9	0	0	0	109.7	E313 L314 F417 D447 L448 G449 L510	E313-H415 WeakPolarHBondContact CA-O 3.26Å; L314-H415 HydrophobicContact CB-CB 4.31Å; L314-H415 PolarHBondContact N-O 2.95Å; L314-H415 PolarHBondContact O-N 3.13Å; H415-F417 HydrophobicContact CB-CE2 4.2Å; H415-D447 CarbonylContact C-O 3.53Å; H415-D447 WeakPolarHBondContact CA-O 3.11Å; H415-L448 HydrophobicContact CB-CD2 3.88Å; H415-L448 WeakPolarHBondContact ND1-CA 3.27Å; H415-G449 PolarHBondContact ND1-N 2.69Å; H415-L510 HydrophobicContact CB-CD1 4.4Å
416	L	92.3	Very high	78	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.6	-179.7	178.5	66.7	0	0	0	111.1	F271 L324 W410 F418 I446 D447	F271-L416 HydrophobicContact CE1-CD2 3.7Å; F271-L416 HydrophobicContact CZ-CD2 3.56Å; L324-L416 HydrophobicContact CD1-CD1 3.49Å; L324-L416 VanDerWaalsContact CD1-CD1 3.49Å; W410-L416 HydrophobicContact CH2-CD2 4.02Å; L416-F418 HydrophobicContact CD2-CB 4.43Å; L416-F418 HydrophobicContact CG-CB 4.43Å; L416-I446 VanDerWaalsContact O-CA 3.3Å; L416-I446 WeakPolarHBondContact O-CA 3.12Å; L416-D447 HydrophobicContact CB-CB 4.35Å; L416-D447 PolarHBondContact N-O 3.46Å; L416-D447 PolarHBondContact O-N 2.98Å
417	F	95	Very high	79.8	Confident	9 Å²	9	40.5 Å²	40.5	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	88.4	169.7	-72.2	-105	0	0	0	109.4	V312 H415 I446 L510 M513 L514	V312-F417 PolarHBondContact N-O 3.07Å; V312-F417 VanDerWaalsContact N-O 3.08Å; V312-F417 PolarHBondContact O-N 3.19Å; H415-F417 HydrophobicContact CB-CE2 4.2Å; F417-I446 HydrophobicContact CD1-CD1 3.78Å; F417-I446 HydrophobicContact CD1-CG1 3.81Å; F417-I446 HydrophobicContact CD1-CG2 4.16Å; F417-I446 HydrophobicContact CE1-CD1 3.64Å; F417-I446 HydrophobicContact CE1-CG1 4.08Å; F417-I446 HydrophobicContact CE1-CG2 3.95Å; F417-I446 HydrophobicContact CE2-CG2 4.31Å; F417-I446 HydrophobicContact CG-CG1 4.47Å; F417-I446 HydrophobicContact CG-CG2 4.43Å; F417-I446 HydrophobicContact CZ-CG2 4.02Å; F417-L510 HydrophobicContact CE2-CD1 4.06Å; F417-L510 HydrophobicContact CZ-CD1 3.88Å; F417-M513 HydrophobicContact CB-CE 4.03Å; F417-M513 HydrophobicContact CD1-CB 4.31Å; F417-M513 HydrophobicContact CD1-CE 4.02Å; F417-M513 HydrophobicContact CD2-CE 3.44Å; F417-M513 VanDerWaalsContact CD2-CE 3.44Å; F417-M513 HydrophobicContact CD2-SD 4.09Å; F417-M513 HydrophobicContact CE1-CB 3.6Å; F417-M513 HydrophobicContact CE1-CE 4.34Å; F417-M513 HydrophobicContact CE2-CB 4.2Å; F417-M513 HydrophobicContact CE2-CE 3.82Å; F417-M513 HydrophobicContact CE2-SD 3.85Å; F417-M513 HydrophobicContact CG-CE 3.57Å; F417-M513 HydrophobicContact CZ-CB 3.54Å; F417-M513 HydrophobicContact CZ-CE 4.26Å; F417-M513 HydrophobicContact CZ-CG 4.47Å; F417-M513 HydrophobicContact CZ-SD 4.17Å; F417-L514 HydrophobicContact CE1-CD2 4.38Å; F417-L514 HydrophobicContact CZ-CD2 4.33Å; F417-L514 HydrophobicContact CZ-CG 4.41Å
418	F	96.4	Very high	81	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.3	173.2	-168.7	-92.4	0	0	0	109.1	I283 I287 I309 A311 L372 L416 L420 L445	I283-F418 HydrophobicContact CD1-CB 4.43Å; I283-F418 HydrophobicContact CG2-CD1 3.78Å; I283-F418 HydrophobicContact CG2-CE1 3.93Å; I283-F418 HydrophobicContact CG2-CG 4.37Å; I287-F418 HydrophobicContact CD1-CE1 4.07Å; I287-F418 HydrophobicContact CD1-CZ 4.21Å; I287-F418 HydrophobicContact CG1-CE1 4.44Å; I309-F418 HydrophobicContact CG2-CE1 4.17Å; I309-F418 HydrophobicContact CG2-CE2 3.75Å; I309-F418 HydrophobicContact CG2-CZ 3.55Å; A311-F418 HydrophobicContact CB-CD2 3.76Å; A311-F418 HydrophobicContact CB-CE2 4.27Å; L372-F418 HydrophobicContact CB-CE2 3.97Å; L372-F418 HydrophobicContact CB-CZ 4.02Å; L372-F418 HydrophobicContact CD1-CD2 3.88Å; L372-F418 HydrophobicContact CD1-CE2 3.81Å; L372-F418 HydrophobicContact CD1-CG 4.39Å; L372-F418 HydrophobicContact CD1-CZ 4.26Å; L416-F418 HydrophobicContact CD2-CB 4.43Å; L416-F418 HydrophobicContact CG-CB 4.43Å; F418-L420 HydrophobicContact CD1-CD1 3.95Å; F418-L420 HydrophobicContact CE1-CD1 3.85Å; F418-L420 HydrophobicContact CE1-CG 4.23Å; F418-L445 HydrophobicContact CD1-CD1 4.44Å; F418-L445 PolarHBondContact N-O 3.18Å; F418-L445 PolarHBondContact O-N 3.47Å
419	T	97.6	Very high	81.6	Confident	6 Å²	6	49.7 Å²	49.7	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.3	-175.3	-53.8	0	0	0	0	111.9	I309 S310 H421 R442 L443 H444	I309-T419 WeakPolarHBondContact CA-O 3.3Å; S310-T419 PolarHBondContact N-O 3.38Å; S310-T419 PolarHBondContact O-N 2.92Å; T419-H421 WeakPolarHBondContact CG2-CE1 3.31Å; T419-R442 HydrophobicContact CG2-CB 4.21Å; T419-L443 WeakPolarHBondContact CA-O 3.39Å; T419-H444 VanDerWaalsContact CG2-ND1 3.26Å; T419-H444 WeakPolarHBondContact CG2-ND1 3.48Å; T419-H444 PolarHBondContact OG1-ND1 3.2Å
420	L	98.1	Very high	82	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.9	168	-52.9	84.7	0	0	0	108.9	I287 L290 V307 I309 F418 I422 R442 L443 L445	I287-L420 HydrophobicContact CG1-CD2 4.13Å; L290-L420 HydrophobicContact CD2-CB 4.29Å; L290-L420 HydrophobicContact CD2-CD2 3.61Å; V307-L420 HydrophobicContact CG1-CB 4.47Å; I309-L420 HydrophobicContact CD1-CB 4.17Å; I309-L420 HydrophobicContact CD1-CD2 3.93Å; I309-L420 HydrophobicContact CD1-CG 3.71Å; F418-L420 HydrophobicContact CD1-CD1 3.95Å; F418-L420 HydrophobicContact CE1-CD1 3.85Å; F418-L420 HydrophobicContact CE1-CG 4.23Å; L420-I422 HydrophobicContact CB-CD1 3.93Å; L420-I422 VanDerWaalsContact O-CD1 3.29Å; L420-I422 WeakPolarHBondContact O-CD1 3.47Å; L420-R442 CarbonylContact O-C 3.4Å; L420-R442 WeakPolarHBondContact O-CA 3.4Å; L420-L443 HydrophobicContact CB-CB 4.25Å; L420-L443 HydrophobicContact CD1-CB 4.32Å; L420-L443 HydrophobicContact CD1-CD2 4.23Å; L420-L443 HydrophobicContact CD1-CG 4.14Å; L420-L443 PolarHBondContact N-O 3.13Å; L420-L443 PolarHBondContact O-N 3.46Å; L420-L445 HydrophobicContact CD1-CD1 3.78Å; L420-L445 HydrophobicContact CD1-CG 4.47Å
421	H	96.7	Very high	81.8	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.8	-179.8	-52.8	-78.8	0	0	0	108.8	V307 R308 S310 T419 Y423 R440	V307-H421 WeakPolarHBondContact CA-O 3.34Å; R308-H421 PolarHBondContact N-O 3.22Å; R308-H421 PolarHBondContact O-CD2 3.21Å; R308-H421 PolarHBondContact O-N 3.08Å; S310-H421 PolarHBondContact OG-NE2 3.22Å; T419-H421 WeakPolarHBondContact CG2-CE1 3.31Å; H421-Y423 HydrophobicContact CB-CE2 4.09Å; H421-R440 PolarHBondContact CE1-NH2 3.13Å; H421-R440 VanDerWaalsContact CE1-NH2 3.3Å; H421-R440 VanDerWaalsContact CG-NH2 3.3Å; H421-R440 PolarHBondContact ND1-NH2 3.33Å
422	I	96.6	Very high	81.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.1	-175.6	-61	68.8	0	0	0	107.8	V248 L290 I294 F305 V307 L420 R440 S441 L443	V248-I422 HydrophobicContact CG1-CB 4.27Å; V248-I422 HydrophobicContact CG1-CD1 3.46Å; V248-I422 VanDerWaalsContact CG1-CD1 3.46Å; V248-I422 HydrophobicContact CG1-CG1 3.73Å; L290-I422 HydrophobicContact CD1-CG1 4.32Å; L290-I422 HydrophobicContact CD2-CD1 3.89Å; L290-I422 HydrophobicContact CD2-CG1 4.01Å; I294-I422 HydrophobicContact CD1-CG1 4.29Å; I294-I422 HydrophobicContact CD1-CG2 4.18Å; F305-I422 HydrophobicContact CD1-CG2 3.8Å; F305-I422 HydrophobicContact CE1-CG2 4.2Å; V307-I422 HydrophobicContact CG2-CG1 4.47Å; L420-I422 HydrophobicContact CB-CD1 3.93Å; L420-I422 VanDerWaalsContact O-CD1 3.29Å; L420-I422 WeakPolarHBondContact O-CD1 3.47Å; I422-R440 CarbonylContact O-C 3.59Å; I422-R440 WeakPolarHBondContact O-CA 3.26Å; I422-S441 PolarHBondContact N-O 3.09Å; I422-S441 PolarHBondContact O-N 3.27Å; I422-L443 HydrophobicContact CD1-CB 4.39Å
423	Y	95.8	Very high	81.7	Confident	33 Å²	33	50.8 Å²	50.8	13%	0.129	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123	174.1	-63.7	-100.8	0	0	0	109.2	F305 S306 R308 E359 H421 R440	F305-Y423 CarbonylContact C-O 3.57Å; F305-Y423 VanDerWaalsContact CA-O 3.28Å; F305-Y423 WeakPolarHBondContact CA-O 3.47Å; S306-Y423 PolarHBondContact N-O 3.24Å; S306-Y423 PolarHBondContact O-N 3.34Å; R308-Y423 HydrophobicContact CG-CD2 4.48Å; R308-Y423 HydrophobicContact CG-CE2 4.1Å; E359-Y423 WeakPolarHBondContact OE1-CE2 3.07Å; E359-Y423 PolarHBondContact OE1-OH 2.84Å; H421-Y423 HydrophobicContact CB-CE2 4.09Å; Y423-R440 HydrophobicContact CD1-CB 4.2Å; Y423-R440 HydrophobicContact CD1-CG 4.33Å; Y423-R440 HydrophobicContact CE1-CB 4.31Å; Y423-R440 HydrophobicContact CE1-CG 4.15Å; Y423-R440 PolarHBondContact OH-NH1 3.22Å
424	Q	92.4	Very high	81.1	Confident	36 Å²	36	53.2 Å²	53.2	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.4	-178.2	-174.3	-177.1	17.6	0	0	111.1	A303 F305 G438 G439	A303-Q424 HydrophobicContact CB-CG 4.13Å; F305-Q424 HydrophobicContact CD1-CB 4.05Å; F305-Q424 HydrophobicContact CD1-CG 4.13Å; F305-Q424 HydrophobicContact CE1-CB 3.75Å; F305-Q424 HydrophobicContact CE1-CG 3.54Å; F305-Q424 HydrophobicContact CE2-CG 4.37Å; F305-Q424 HydrophobicContact CZ-CB 4.39Å; F305-Q424 HydrophobicContact CZ-CG 3.67Å; Q424-G438 CarbonylContact O-C 3.59Å; Q424-G438 WeakPolarHBondContact O-CA 3.31Å; Q424-G439 PolarHBondContact N-O 3.5Å; Q424-G439 PolarHBondContact O-N 3.13Å
425	Y	89.2	Confident	80.2	Confident	52 Å²	52	54.2 Å²	54.2	20%	0.204	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.8	179.4	-50.6	-90.1	0	0	0	111.9	A303 R304 V436 A437 W767	A303-Y425 CarbonylContact C-O 3.54Å; A303-Y425 VanDerWaalsContact CA-O 3.29Å; A303-Y425 WeakPolarHBondContact CA-O 3.26Å; R304-Y425 PolarHBondContact N-O 2.97Å; R304-Y425 PolarHBondContact O-N 3.44Å; Y425-V436 HydrophobicContact CD1-CG1 4.2Å; Y425-A437 CarbonylContact C-O 3.43Å; Y425-W767 HydrophobicContact CE1-CD2 4.23Å; Y425-W767 AromaticContact CE1-CE2 3.73Å; Y425-W767 HydrophobicContact CE1-CE3 4.25Å; Y425-W767 AromaticContact CE1-CH2 3.48Å; Y425-W767 HydrophobicContact CE1-CH2 3.48Å; Y425-W767 VanDerWaalsContact CE1-CH2 3.48Å; Y425-W767 AromaticContact CE1-CZ2 3.37Å; Y425-W767 HydrophobicContact CE1-CZ2 3.37Å; Y425-W767 AromaticContact CE1-CZ3 3.89Å; Y425-W767 HydrophobicContact CE1-CZ3 3.89Å; Y425-W767 AromaticContact CZ-CH2 3.74Å; Y425-W767 AromaticContact CZ-CZ2 3.7Å; Y425-W767 WeakPolarHBondContact OH-CH2 3.43Å; Y425-W767 WeakPolarHBondContact OH-CZ2 3.46Å
426	R	84.5	Confident	79.2	Confident	96 Å²	96	54.6 Å²	54.6	36%	0.362	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	121.3	176	177.6	169.7	163.4	-84.9	-4.9	109.9	T301 A303 E428 A437	T301-R426 WeakPolarHBondContact O-CD 3.37Å; T301-R426 PolarHBondContact O-NE 2.97Å; A303-R426 HydrophobicContact CB-CB 4.13Å; R426-E428 IonicContact CZ-OE1 3.41Å; R426-E428 IonicContact NH1-OE1 2.69Å; R426-E428 PolarHBondContact NH1-OE1 3.23Å; R426-E428 IonicContact NH2-OE1 2.71Å; R426-E428 PolarHBondContact O-N 2.57Å; R426-A437 PolarHBondContact N-O 2.89Å; R426-A437 PolarHBondContact O-N 3Å
427	V	78.1	Confident	78.5	Confident	52 Å²	52	56.2 Å²	56.2	32%	0.315	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	117.8	172.3	175.9	0	0	0	0	109	R429 V436 L779	V427-R429 HydrophobicContact CG1-CG 4.48Å; V427-R429 PolarHBondContact O-N 2.88Å; V427-V436 HydrophobicContact CG2-CG2 4.32Å; V427-L779 HydrophobicContact CG2-CD1 3.31Å
428	E	69.8	Low	77.8	Confident	83 Å²	83	56.9 Å²	56.9	39%	0.388	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	106.3	171.5	-62.9	-142.9	115.9	0	0	109.9	R426 S430 G435 A437	R426-E428 IonicContact CZ-OE1 3.41Å; R426-E428 IonicContact NH1-OE1 2.69Å; R426-E428 PolarHBondContact NH1-OE1 3.23Å; R426-E428 IonicContact NH2-OE1 2.71Å; R426-E428 PolarHBondContact O-N 2.57Å; E428-S430 PolarHBondContact O-N 3.06Å; E428-G435 PolarHBondContact N-O 3.46Å; E428-A437 HydrophobicContact CG-CB 3.72Å
429	R	63.3	Low	77.4	Confident	243 Å²	243	57.6 Å²	57.6	92%	0.917	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	56.3	168.1	-68.9	-178.4	172.1	146.7	-2	111	V427	V427-R429 HydrophobicContact CG1-CG 4.48Å; V427-R429 PolarHBondContact O-N 2.88Å
430	S	57	Low	77.1	Confident	62 Å²	62	61.6 Å²	61.6	43%	0.434	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116	170	-164.9	0	0	0	0	108.9	E428 I432 S433	E428-S430 PolarHBondContact O-N 3.06Å; S430-I432 PolarHBondContact O-N 3.02Å; S430-S433 PolarHBondContact O-N 3.33Å; S430-S433 VanDerWaalsContact O-N 3.11Å
431	G	52.5	Low	76.9	Confident	88 Å²	88	61.7 Å²	61.7	91%	0.907	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	25.2	-159.4	0	0	0	0	0	118.7
432	I	59.1	Low	76.9	Confident	139 Å²	139	63.1 Å²	63.1	71%	0.713	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-14.4	173.2	-73.2	162.1	0	0	0	111.6	S430	S430-I432 PolarHBondContact O-N 3.02Å
433	S	55.3	Low	76.9	Confident	82 Å²	82	63.1 Å²	63.1	57%	0.573	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.9	119.2	172.3	57.1	0	0	0	0	110.9	S430 G435	S430-S433 PolarHBondContact O-N 3.33Å; S430-S433 VanDerWaalsContact O-N 3.11Å; S433-G435 PolarHBondContact O-N 3.45Å
434	T	59.3	Low	77	Confident	111 Å²	111	61.9 Å²	61.9	68%	0.681	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	80	168.3	46.3	0	0	0	0	109.7	I776	T434-I776 WeakPolarHBondContact O-CD1 3.39Å
435	G	65.4	Low	77.2	Confident	27 Å²	27	60.1 Å²	60.1	28%	0.278	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.7	178.6	0	0	0	0	0	111.9	E428 S433 A437	E428-G435 PolarHBondContact N-O 3.46Å; S433-G435 PolarHBondContact O-N 3.45Å; G435-A437 PolarHBondContact O-N 3.03Å
436	V	69.6	Low	77.5	Confident	21 Å²	21	57.7 Å²	57.7	13%	0.127	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.3	160.9	-175	0	0	0	0	107.5	Y425 V427 V772 A775 I776	Y425-V436 HydrophobicContact CD1-CG1 4.2Å; V427-V436 HydrophobicContact CG2-CG2 4.32Å; V436-V772 HydrophobicContact CB-CG1 4.25Å; V436-V772 HydrophobicContact CG2-CG1 4.11Å; V436-A775 HydrophobicContact CG2-CB 4.29Å; V436-I776 HydrophobicContact CG2-CD1 4.25Å; V436-I776 HydrophobicContact CG2-CG1 3.67Å
437	A	76	Confident	77.9	Confident	38 Å²	38	53.5 Å²	53.5	31%	0.314	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.6	165.6	0	0	0	0	0	108.7	Y425 R426 E428 G435	Y425-A437 CarbonylContact C-O 3.43Å; R426-A437 PolarHBondContact N-O 2.89Å; R426-A437 PolarHBondContact O-N 3Å; E428-A437 HydrophobicContact CG-CB 3.72Å; G435-A437 PolarHBondContact O-N 3.03Å
438	G	81.8	Confident	78.4	Confident	22 Å²	22	51 Å²	51	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-176.6	-173	0	0	0	0	0	113.2	Q424	Q424-G438 CarbonylContact O-C 3.59Å; Q424-G438 WeakPolarHBondContact O-CA 3.31Å
439	G	88.1	Confident	78.8	Confident	15 Å²	15	47.6 Å²	47.6	16%	0.155	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	176.5	-177.8	0	0	0	0	0	112.7	Q424	Q424-G439 PolarHBondContact N-O 3.5Å; Q424-G439 PolarHBondContact O-N 3.13Å
440	R	90.7	Very high	79.1	Confident	91 Å²	91	36.9 Å²	36.9	34%	0.343	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135	167.2	-179.8	177.2	174.3	158.3	-6.2	108.2	E359 H421 I422 Y423	E359-R440 IonicContact OE1-NH1 2.66Å; E359-R440 IonicContact OE2-CZ 3.75Å; E359-R440 IonicContact OE2-NH1 3.33Å; E359-R440 PolarHBondContact OE2-NH1 2.91Å; E359-R440 IonicContact OE2-NH2 3.4Å; E359-R440 PolarHBondContact OE2-NH2 3.19Å; H421-R440 PolarHBondContact CE1-NH2 3.13Å; H421-R440 VanDerWaalsContact CE1-NH2 3.3Å; H421-R440 VanDerWaalsContact CG-NH2 3.3Å; H421-R440 PolarHBondContact ND1-NH2 3.33Å; I422-R440 CarbonylContact O-C 3.59Å; I422-R440 WeakPolarHBondContact O-CA 3.26Å; Y423-R440 HydrophobicContact CD1-CB 4.2Å; Y423-R440 HydrophobicContact CD1-CG 4.33Å; Y423-R440 HydrophobicContact CE1-CB 4.31Å; Y423-R440 HydrophobicContact CE1-CG 4.15Å; Y423-R440 PolarHBondContact OH-NH1 3.22Å
441	S	94.5	Very high	79.1	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.6	166.3	50.8	0	0	0	0	109.3	V248 I422	V248-S441 PolarHBondContact O-OG 2.94Å; I422-S441 PolarHBondContact N-O 3.09Å; I422-S441 PolarHBondContact O-N 3.27Å
442	R	95.5	Very high	79.1	Confident	33 Å²	33	34.2 Å²	34.2	13%	0.125	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140	-177.7	-60.3	174	-66	158	13.9	110.3	D253 G254 T419 L420 H444 E516	D253-R442 CarbonylContact C-O 3.58Å; D253-R442 WeakPolarHBondContact CA-O 3.49Å; D253-R442 PolarHBondContact OD1-N 3.32Å; D253-R442 IonicContact OD1-NE 3.62Å; D253-R442 IonicContact OD2-CZ 2.71Å; D253-R442 IonicContact OD2-NE 2.69Å; D253-R442 PolarHBondContact OD2-NE 3.16Å; D253-R442 IonicContact OD2-NH2 3.57Å; D253-R442 PolarHBondContact OD2-NH2 3.18Å; G254-R442 PolarHBondContact N-O 3.38Å; T419-R442 HydrophobicContact CG2-CB 4.21Å; L420-R442 CarbonylContact O-C 3.4Å; L420-R442 WeakPolarHBondContact O-CA 3.4Å; R442-H444 WeakPolarHBondContact CB-NE2 3.38Å; R442-H444 VanDerWaalsContact CZ-NE2 3.31Å; R442-H444 PolarHBondContact NE-NE2 3.27Å; R442-E516 PolarHBondContact NH1-O 3.08Å; R442-E516 IonicContact NH1-OE1 3.61Å; R442-E516 PolarHBondContact NH1-OE1 2.97Å; R442-E516 PolarHBondContact NH2-O 3.14Å
443	L	97.7	Very high	78.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	99.1	165.5	176.2	49.7	0	0	0	108.1	I244 V248 G254 A286 L290 T419 L420 I422 L445	I244-L443 HydrophobicContact CG2-CD1 3.39Å; V248-L443 HydrophobicContact CG1-CB 4.28Å; V248-L443 HydrophobicContact CG2-CB 4.04Å; V248-L443 HydrophobicContact CG2-CD1 4.42Å; G254-L443 WeakPolarHBondContact O-CA 3.24Å; A286-L443 HydrophobicContact CB-CD2 4.37Å; L290-L443 HydrophobicContact CD2-CD2 4.46Å; T419-L443 WeakPolarHBondContact CA-O 3.39Å; L420-L443 HydrophobicContact CB-CB 4.25Å; L420-L443 HydrophobicContact CD1-CB 4.32Å; L420-L443 HydrophobicContact CD1-CD2 4.23Å; L420-L443 HydrophobicContact CD1-CG 4.14Å; L420-L443 PolarHBondContact N-O 3.13Å; L420-L443 PolarHBondContact O-N 3.46Å; I422-L443 HydrophobicContact CD1-CB 4.39Å; L443-L445 HydrophobicContact CD1-CD2 3.85Å; L443-L445 HydrophobicContact CD1-CG 4.29Å; L443-L445 HydrophobicContact CG-CD1 4.36Å; L443-L445 HydrophobicContact CG-CD2 4.15Å; L443-L445 HydrophobicContact CG-CG 4.1Å
444	H	97.2	Very high	77.9	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.028	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.7	174.6	-60.2	-76.1	0	0	0	109.9	G254 C255 L256 T419 R442 I446 A517	G254-H444 PolarHBondContact O-N 2.9Å; C255-H444 CarbonylContact C-O 3.56Å; C255-H444 VanDerWaalsContact CA-O 3.32Å; C255-H444 WeakPolarHBondContact CA-O 3.42Å; C255-H444 HydrophobicContact CB-CB 4.25Å; L256-H444 PolarHBondContact N-O 3.38Å; T419-H444 VanDerWaalsContact CG2-ND1 3.26Å; T419-H444 WeakPolarHBondContact CG2-ND1 3.48Å; T419-H444 PolarHBondContact OG1-ND1 3.2Å; R442-H444 WeakPolarHBondContact CB-NE2 3.38Å; R442-H444 VanDerWaalsContact CZ-NE2 3.31Å; R442-H444 PolarHBondContact NE-NE2 3.27Å; H444-I446 HydrophobicContact CB-CD1 4.21Å; H444-I446 HydrophobicContact CB-CG1 4.25Å; H444-A517 HydrophobicContact CB-CB 4.19Å
445	L	97.5	Very high	77	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	106	175.6	-58.4	172.1	0	0	0	106.9	L256 I283 A286 F418 L420 L443	L256-L445 HydrophobicContact CB-CD2 3.93Å; I283-L445 HydrophobicContact CB-CD1 4.28Å; I283-L445 HydrophobicContact CD1-CB 4.3Å; I283-L445 HydrophobicContact CG1-CB 4.03Å; I283-L445 HydrophobicContact CG1-CD1 4.07Å; I283-L445 HydrophobicContact CG2-CD1 3.97Å; A286-L445 HydrophobicContact CB-CD1 3.9Å; F418-L445 HydrophobicContact CD1-CD1 4.44Å; F418-L445 PolarHBondContact N-O 3.18Å; F418-L445 PolarHBondContact O-N 3.47Å; L420-L445 HydrophobicContact CD1-CD1 3.78Å; L420-L445 HydrophobicContact CD1-CG 4.47Å; L443-L445 HydrophobicContact CD1-CD2 3.85Å; L443-L445 HydrophobicContact CD1-CG 4.29Å; L443-L445 HydrophobicContact CG-CD1 4.36Å; L443-L445 HydrophobicContact CG-CD2 4.15Å; L443-L445 HydrophobicContact CG-CG 4.1Å
446	I	95.3	Very high	75.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.8	-165.3	-55.2	173.5	0	0	0	109	L256 I257 S258 L416 F417 H444 L448 L514 A517	L256-I446 PolarHBondContact O-N 2.86Å; I257-I446 HydrophobicContact CG1-CD1 4.5Å; I257-I446 HydrophobicContact CG2-CB 4.42Å; I257-I446 HydrophobicContact CG2-CG2 4.41Å; S258-I446 PolarHBondContact N-O 2.92Å; L416-I446 VanDerWaalsContact O-CA 3.3Å; L416-I446 WeakPolarHBondContact O-CA 3.12Å; F417-I446 HydrophobicContact CD1-CD1 3.78Å; F417-I446 HydrophobicContact CD1-CG1 3.81Å; F417-I446 HydrophobicContact CD1-CG2 4.16Å; F417-I446 HydrophobicContact CE1-CD1 3.64Å; F417-I446 HydrophobicContact CE1-CG1 4.08Å; F417-I446 HydrophobicContact CE1-CG2 3.95Å; F417-I446 HydrophobicContact CE2-CG2 4.31Å; F417-I446 HydrophobicContact CG-CG1 4.47Å; F417-I446 HydrophobicContact CG-CG2 4.43Å; F417-I446 HydrophobicContact CZ-CG2 4.02Å; H444-I446 HydrophobicContact CB-CD1 4.21Å; H444-I446 HydrophobicContact CB-CG1 4.25Å; I446-L448 HydrophobicContact CG2-CD2 3.45Å; I446-L448 VanDerWaalsContact CG2-CD2 3.45Å; I446-L448 HydrophobicContact CG2-CG 3.92Å; I446-L514 HydrophobicContact CD1-CD2 4.29Å; I446-A517 HydrophobicContact CD1-CB 3.86Å
447	D	91.9	Very high	74.6	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.8	171.7	-163.1	21.2	0	0	0	109.1	S258 S267 M270 H415 L416	S258-D447 VanDerWaalsContact CB-OD1 3.26Å; S258-D447 WeakPolarHBondContact CB-OD1 3.47Å; S258-D447 PolarHBondContact OG-OD1 2.87Å; S267-D447 WeakPolarHBondContact CA-OD2 3.42Å; S267-D447 PolarHBondContact OG-OD2 3.34Å; M270-D447 HydrophobicContact CB-CB 4.46Å; M270-D447 HydrophobicContact CE-CB 4.3Å; M270-D447 HydrophobicContact CG-CB 4.03Å; H415-D447 CarbonylContact C-O 3.53Å; H415-D447 WeakPolarHBondContact CA-O 3.11Å; L416-D447 HydrophobicContact CB-CB 4.35Å; L416-D447 PolarHBondContact N-O 3.46Å; L416-D447 PolarHBondContact O-N 2.98Å
448	L	89.3	Confident	72.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.8	-177.3	-56.6	179.1	0	0	0	110.3	I257 S258 F259 K266 H415 I446 M489 L510 L514	I257-L448 HydrophobicContact CG2-CD1 3.65Å; I257-L448 HydrophobicContact CG2-CG 4.15Å; S258-L448 VanDerWaalsContact O-CB 3.31Å; S258-L448 WeakPolarHBondContact O-CB 3.22Å; S258-L448 WeakPolarHBondContact O-CG 3.1Å; S258-L448 PolarHBondContact O-N 3.36Å; F259-L448 HydrophobicContact CB-CB 4.16Å; F259-L448 HydrophobicContact CB-CD1 4.43Å; F259-L448 HydrophobicContact CD1-CD1 4.12Å; K266-L448 WeakPolarHBondContact CD-O 3.41Å; K266-L448 PolarHBondContact NZ-O 3.1Å; H415-L448 HydrophobicContact CB-CD2 3.88Å; H415-L448 WeakPolarHBondContact ND1-CA 3.27Å; I446-L448 HydrophobicContact CG2-CD2 3.45Å; I446-L448 VanDerWaalsContact CG2-CD2 3.45Å; I446-L448 HydrophobicContact CG2-CG 3.92Å; L448-M489 HydrophobicContact CB-SD 4.17Å; L448-M489 HydrophobicContact CD1-CG 4.37Å; L448-M489 HydrophobicContact CD1-SD 3.58Å; L448-M489 VanDerWaalsContact CD1-SD 3.58Å; L448-M489 HydrophobicContact CG-SD 4.44Å; L448-L510 HydrophobicContact CD2-CD1 3.84Å; L448-L514 HydrophobicContact CD1-CD2 4.44Å
449	G	78.8	Confident	70.1	Confident	11 Å²	11	49.9 Å²	49.9	11%	0.113	26%	0.258	C	S	.	.			trans	-56.1	174.6	170.6	0	0	0	0	0	113.9	S414 H415 T451	S414-G449 WeakPolarHBondContact O-CA 3.31Å; S414-G449 PolarHBondContact O-N 3.2Å; S414-G449 VanDerWaalsContact O-N 3.08Å; H415-G449 PolarHBondContact ND1-N 2.69Å; G449-T451 PolarHBondContact O-N 3.42Å
450	N	68.8	Low	67.2	Low	18 Å²	18	55.1 Å²	55.1	10%	0.096	28%	0.283	C	S	.	.			trans	-69.4	125.1	-170.1	-115.1	-13.6	0	0	0	113.5	G260 T261 D263 K266 R412 K452 M483	G260-N450 PolarHBondContact O-OD1 2.87Å; T261-N450 PolarHBondContact O-ND2 3.42Å; D263-N450 VanDerWaalsContact CG-ND2 3.31Å; D263-N450 WeakPolarHBondContact OD1-CB 3.28Å; D263-N450 PolarHBondContact OD1-N 2.75Å; D263-N450 PolarHBondContact OD1-ND2 3.06Å; D263-N450 WeakPolarHBondContact OD2-CB 3.08Å; D263-N450 PolarHBondContact OD2-ND2 3.08Å; K266-N450 VanDerWaalsContact NZ-CG 3.32Å; K266-N450 PolarHBondContact NZ-OD1 3.37Å; R412-N450 WeakPolarHBondContact O-CA 3.42Å; R412-N450 PolarHBondContact O-N 3Å; N450-K452 PolarHBondContact O-N 3.45Å; N450-M483 WeakPolarHBondContact O-CE 3.39Å
451	T	57.2	Low	64.4	Low	8 Å²	8	58.1 Å²	58.1	5%	0.049	31%	0.306	C	S	.	.			trans	-78.9	107.9	162.8	54.5	0	0	0	0	108.1	G449 L484 L486 M489	G449-T451 PolarHBondContact O-N 3.42Å; T451-L484 WeakPolarHBondContact CB-O 3.49Å; T451-L484 WeakPolarHBondContact CG2-O 3.47Å; T451-L486 VanDerWaalsContact OG1-CA 3.26Å; T451-L486 WeakPolarHBondContact OG1-CA 3.4Å; T451-L486 WeakPolarHBondContact OG1-CB 3.5Å; T451-L486 PolarHBondContact OG1-N 3.27Å; T451-M489 HydrophobicContact CG2-CB 4.23Å; T451-M489 HydrophobicContact CG2-CE 3.58Å; T451-M489 HydrophobicContact CG2-SD 3.74Å
452	K	53.1	Low	61.4	Low	87 Å²	87	62.9 Å²	62.9	38%	0.378	34%	0.339	S	S	.	.			trans	-11.4	123.6	-175	-76.4	-167.9	176.7	-172.4	0	117.3	N450 P454 D481	N450-K452 PolarHBondContact O-N 3.45Å; K452-P454 WeakPolarHBondContact O-CD 3.47Å; K452-D481 WeakPolarHBondContact CE-OD2 3.32Å; K452-D481 IonicContact NZ-OD1 2.67Å; K452-D481 PolarHBondContact NZ-OD1 2.99Å; K452-D481 IonicContact NZ-OD2 3.56Å; K452-D481 PolarHBondContact NZ-OD2 3.29Å
453	L	47.4	Very low	58.3	Low	46 Å²	46	65 Å²	65	24%	0.241	36%	0.363	C	S	.	.			trans	-74.7	124.6	150.1	-79.3	162.4	0	0	0	108.9	R455 Y537 E540	L453-R455 PolarHBondContact O-N 3.32Å; L453-Y537 HydrophobicContact CD1-CE1 4.31Å; L453-E540 HydrophobicContact CD2-CG 4.27Å
454	P	40.2	Very low	55.1	Low	110 Å²	110	72 Å²	72	71%	0.714	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	12.9	178.2	-19.5	33.9	0	0	0	115.2	K452	K452-P454 WeakPolarHBondContact O-CD 3.47Å
455	R	41.8	Very low	52.1	Low	152 Å²	152	78.3 Å²	78.3	57%	0.574	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-4.4	-165.6	-69.4	-172.5	-84.9	165.1	-1.5	114.7	L453 V457 N536 E540	L453-R455 PolarHBondContact O-N 3.32Å; R455-V457 PolarHBondContact O-N 2.78Å; R455-N536 PolarHBondContact NH2-O 3.19Å; R455-E540 IonicContact CZ-OE1 3.38Å; R455-E540 IonicContact NH2-OE1 3.29Å; R455-E540 PolarHBondContact NH2-OE1 3.15Å; R455-E540 IonicContact NH2-OE2 3.6Å
456	D	42.6	Very low	48.8	Very low	95 Å²	95	86.4 Å²	86.4	51%	0.508	48%	0.478	S	S	.	.			trans	-87.1	37.7	174.3	-64.5	33.8	0	0	0	111.1	R412	R412-D456 IonicContact CZ-OD2 3.66Å; R412-D456 IonicContact NH1-OD2 3.78Å; R412-D456 PolarHBondContact NH1-OD2 2.93Å; R412-D456 IonicContact NH2-OD2 2.8Å
457	V	40.2	Very low	45.8	Very low	117 Å²	117	92 Å²	92	71%	0.709	52%	0.517	S	S	*	.	S	Bend	trans	-94.9	121.4	165.4	176.7	0	0	0	0	106.2	R455 T459	R455-V457 PolarHBondContact O-N 2.78Å; V457-T459 PolarHBondContact O-N 2.92Å
458	E	34.7	Very low	42.8	Very low	131 Å²	131	99.7 Å²	99.7	61%	0.612	55%	0.553	S	S	*	*			trans	-52.2	129.1	-170.1	-69.8	120.4	163.9	0	0	112	D460	E458-D460 HydrophobicContact CB-CB 4.38Å; E458-D460 PolarHBondContact O-N 3.28Å; E458-D460 VanDerWaalsContact O-N 3.07Å
459	T	28.5	Very low	39.9	Very low	118 Å²	118	107.4 Å²	107.4	72%	0.724	59%	0.594	S	S	*	*			trans	-85.8	51.1	170.7	-45.4	0	0	0	0	109.4	V457 N461	V457-T459 PolarHBondContact O-N 2.92Å; T459-N461 PolarHBondContact O-N 3.46Å; T459-N461 PolarHBondContact O-ND2 2.94Å
460	D	29.1	Very low	37.7	Very low	124 Å²	124	111.8 Å²	111.8	66%	0.663	62%	0.623	S	S	*	*			trans	-73.1	92	178.7	-85.2	10.3	0	0	0	108.8	E458 S462	E458-D460 HydrophobicContact CB-CB 4.38Å; E458-D460 PolarHBondContact O-N 3.28Å; E458-D460 VanDerWaalsContact O-N 3.07Å; D460-S462 PolarHBondContact O-N 3.01Å
461	N	29.9	Very low	35.8	Very low	155 Å²	155	120.6 Å²	120.6	83%	0.829	66%	0.664	S	S	*	*			trans	-73.8	56.4	171	-69.4	-63.4	0	0	0	110.8	T459	T459-N461 PolarHBondContact O-N 3.46Å; T459-N461 PolarHBondContact O-ND2 2.94Å
462	S	33	Very low	34.6	Very low	101 Å²	101	127.2 Å²	127.2	71%	0.706	70%	0.699	S	S	*	*			trans	-92.7	97.8	161.6	61.1	0	0	0	0	108.6	D460	D460-S462 PolarHBondContact O-N 3.01Å
463	A	30.3	Very low	33.7	Very low	77 Å²	77	131.6 Å²	131.6	64%	0.636	72%	0.718	S	S	*	*			trans	-67	165	165.3	0	0	0	0	0	110.7
464	D	29.1	Very low	32.8	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	75%	0.75	S	S	*	*			trans	61.7	83.8	157.5	-49.7	-25.2	0	0	0	118.1
465	T	35.3	Very low	32.2	Very low	140 Å²	140	139.7 Å²	139.7	86%	0.859	75%	0.754	S	S	*	*				-154.9	129.2	124.9	-69.9	0	0	0	0	109.5
466	E	27.5	Very low	31.7	Very low	169 Å²	169	136.4 Å²	136.4	79%	0.79	75%	0.754	S	S	*	*			trans	-79.5	136.9	-178.5	-61.4	-179	115.5	0	0	112.3
467	S	33.7	Very low	31.3	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	77%	0.774	S	S	*	*			trans	-144.1	70.6	160.7	48.7	0	0	0	0	110.4	N469	S467-N469 PolarHBondContact O-N 3.13Å; S467-N469 VanDerWaalsContact O-N 3.1Å
468	Q	28.1	Very low	31.2	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	78%	0.778	S	S	*	*			trans	-67.4	105.8	169.6	-66.1	-169.6	13.9	0	0	109.9
469	N	27.9	Very low	31.3	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	79%	0.788	S	S	*	*			trans	-174.1	92.2	149	-101	-37.4	0	0	0	111.5	S467	S467-N469 PolarHBondContact O-N 3.13Å; S467-N469 VanDerWaalsContact O-N 3.1Å
470	S	34	Very low	31.8	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	79%	0.786	S	S	*	*			trans	178.5	78.6	151.8	34.4	0	0	0	0	111.7	N472	S470-N472 PolarHBondContact O-N 2.82Å
471	E	28.2	Very low	32.9	Very low	203 Å²	203	137.5 Å²	137.5	95%	0.949	78%	0.78	S	S	*	*			trans	-70.3	73.3	165.1	-68.8	-165.9	122.5	0	0	110.9
472	N	32.1	Very low	34.2	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	76%	0.759	S	S	*	*			trans	-156.2	41.8	174.7	-117.8	-34.3	0	0	0	112.4	S470	S470-N472 PolarHBondContact O-N 2.82Å
473	K	32.8	Very low	35.9	Very low	179 Å²	179	128.9 Å²	128.9	78%	0.778	73%	0.73	S	S	*	*			trans	-130.1	44.5	-170	-150.4	172.6	-174	175.8	0	114.5
474	Q	29.1	Very low	38.2	Very low	196 Å²	196	126 Å²	126	92%	0.916	70%	0.703	S	S	*	*	S	Bend	trans	-124.3	13.2	174.2	-119.2	170.2	8.9	0	0	114.7
475	T	28	Very low	40.8	Very low	130 Å²	130	121.4 Å²	121.4	80%	0.798	68%	0.683	S	S	*	*	S	Bend	trans	-132.3	24	-174.7	45.9	0	0	0	0	114.2
476	S	32.1	Very low	43.1	Very low	83 Å²	83	115.5 Å²	115.5	58%	0.58	65%	0.646	S	S	*	*			trans	-133.8	10.6	-175.4	55.3	0	0	0	0	116.5	S478	S476-S478 VanDerWaalsContact C-N 3.34Å; S476-S478 PolarHBondContact O-N 2.73Å
477	A	33.2	Very low	45.9	Very low	113 Å²	113	110 Å²	110	93%	0.934	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	13.9	-172.5	0	0	0	0	0	116.4
478	S	37.9	Very low	48.6	Very low	113 Å²	113	105.3 Å²	105.3	79%	0.79	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.8	9.2	-162.6	-166.2	0	0	0	0	117.8	S476	S476-S478 VanDerWaalsContact C-N 3.34Å; S476-S478 PolarHBondContact O-N 2.73Å
479	L	36.5	Very low	51.5	Low	156 Å²	156	97.3 Å²	97.3	82%	0.817	56%	0.556	S	S	*	*	S	Bend	trans	-127.6	-19.1	-173.7	-77	169.9	0	0	0	117.2
480	N	39.7	Very low	54.5	Low	127 Å²	127	90.1 Å²	90.1	68%	0.679	52%	0.518	S	S	*	.	S	Bend	trans	-108	21.7	-161.2	-64.7	5.9	0	0	0	115.6
481	D	53.3	Low	57.2	Low	99 Å²	99	87.7 Å²	87.7	53%	0.529	50%	0.501	S	S	.	.			trans	-122.4	61.9	-176.6	-123.2	43.4	0	0	0	112.4	K452 M483	K452-D481 WeakPolarHBondContact CE-OD2 3.32Å; K452-D481 IonicContact NZ-OD1 2.67Å; K452-D481 PolarHBondContact NZ-OD1 2.99Å; K452-D481 IonicContact NZ-OD2 3.56Å; K452-D481 PolarHBondContact NZ-OD2 3.29Å; D481-M483 VanDerWaalsContact C-N 3.29Å; D481-M483 PolarHBondContact O-N 3.32Å
482	S	56.4	Low	60.3	Low	56 Å²	56	78 Å²	78	39%	0.392	46%	0.455	S	S	.	.			trans	-80.6	7.4	-173	41.9	0	0	0	0	115.8	K317	K317-S482 VanDerWaalsContact O-CB 3.3Å; K317-S482 WeakPolarHBondContact O-CB 3.22Å; K317-S482 PolarHBondContact O-OG 2.98Å
483	M	68.2	Low	63.1	Low	19 Å²	19	71 Å²	71	9%	0.094	42%	0.418	C	S	.	.	S	Bend	trans	-88.9	132.9	167.6	-73.6	-171.5	74.9	0	0	111	N413 N450 D481	N413-M483 HydrophobicContact CB-CE 3.46Å; N413-M483 VanDerWaalsContact CB-CE 3.46Å; N413-M483 HydrophobicContact CB-SD 3.59Å; N413-M483 VanDerWaalsContact CB-SD 3.59Å; N450-M483 WeakPolarHBondContact O-CE 3.39Å; D481-M483 VanDerWaalsContact C-N 3.29Å; D481-M483 PolarHBondContact O-N 3.32Å
484	L	78.9	Confident	65.9	Low	15 Å²	15	63.9 Å²	63.9	8%	0.079	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.3	175.3	-59.4	-170.3	0	0	0	111.7	T451 V492 H505 L510 S511	T451-L484 WeakPolarHBondContact CB-O 3.49Å; T451-L484 WeakPolarHBondContact CG2-O 3.47Å; L484-V492 HydrophobicContact CD1-CG2 4.42Å; L484-H505 HydrophobicContact CD2-CB 3.74Å; L484-L510 HydrophobicContact CD1-CD2 4.14Å; L484-L510 HydrophobicContact CD1-CG 4.49Å; L484-S511 WeakPolarHBondContact CD1-OG 3.13Å
485	S	83.4	Confident	68.8	Low	51 Å²	51	55 Å²	55	36%	0.357	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-74.5	165.1	167.7	75.8	0	0	0	0	112	S487 S488 M489	S485-S487 VanDerWaalsContact C-N 3.25Å; S485-S487 PolarHBondContact O-N 2.91Å; S485-S488 WeakPolarHBondContact O-CA 3.31Å; S485-S488 WeakPolarHBondContact O-CB 3.07Å; S485-S488 PolarHBondContact O-N 3.14Å; S485-S488 WeakPolarHBondContact OG-CB 3.4Å; S485-S488 PolarHBondContact OG-N 3.48Å; S485-S488 PolarHBondContact OG-OG 2.97Å; S485-M489 WeakPolarHBondContact O-CB 3.43Å; S485-M489 PolarHBondContact O-N 3.16Å
486	L	84.6	Confident	71.8	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.089	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-39.8	175.7	-168.1	59.1	0	0	0	111.8	F259 T451 M489 T490 E540 L544	F259-L486 HydrophobicContact CD2-CD1 4.45Å; T451-L486 VanDerWaalsContact OG1-CA 3.26Å; T451-L486 WeakPolarHBondContact OG1-CA 3.4Å; T451-L486 WeakPolarHBondContact OG1-CB 3.5Å; T451-L486 PolarHBondContact OG1-N 3.27Å; L486-M489 HydrophobicContact CD1-CE 3.8Å; L486-T490 WeakPolarHBondContact O-CB 3.32Å; L486-T490 WeakPolarHBondContact O-CG2 3.43Å; L486-T490 PolarHBondContact O-N 3.27Å; L486-T490 PolarHBondContact O-OG1 2.87Å; L486-E540 HydrophobicContact CD2-CB 4.2Å; L486-L544 HydrophobicContact CD1-CD2 4.07Å; L486-L544 HydrophobicContact CD2-CD1 4.24Å; L486-L544 HydrophobicContact CD2-CD2 4.31Å; L486-L544 HydrophobicContact CD2-CG 4.06Å; L486-L544 HydrophobicContact CG-CD2 4.32Å
487	S	86.6	Confident	74.4	Confident	52 Å²	52	46 Å²	46	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-36	173.4	-86.3	0	0	0	0	113.1	S485 T490 S491 Q543	S485-S487 VanDerWaalsContact C-N 3.25Å; S485-S487 PolarHBondContact O-N 2.91Å; S487-T490 WeakPolarHBondContact CA-OG1 3.43Å; S487-T490 PolarHBondContact O-OG1 3.05Å; S487-S491 VanDerWaalsContact O-CB 3.24Å; S487-S491 WeakPolarHBondContact O-CB 3.32Å; S487-S491 PolarHBondContact O-N 3.09Å; S487-S491 VanDerWaalsContact O-N 3.1Å; S487-S491 PolarHBondContact O-OG 3.39Å; S487-Q543 PolarHBondContact OG-OE1 3.01Å
488	S	88.7	Confident	76.9	Confident	20 Å²	20	43.3 Å²	43.3	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-51.7	173.8	-65.1	0	0	0	0	111.4	S485 S491 V492 H505	S485-S488 WeakPolarHBondContact O-CA 3.31Å; S485-S488 WeakPolarHBondContact O-CB 3.07Å; S485-S488 PolarHBondContact O-N 3.14Å; S485-S488 WeakPolarHBondContact OG-CB 3.4Å; S485-S488 PolarHBondContact OG-N 3.48Å; S485-S488 PolarHBondContact OG-OG 2.97Å; S488-S491 WeakPolarHBondContact O-CB 3.36Å; S488-S491 PolarHBondContact O-N 3.24Å; S488-S491 VanDerWaalsContact O-N 3.16Å; S488-V492 WeakPolarHBondContact O-CG2 3.38Å; S488-V492 PolarHBondContact O-N 3.42Å; S488-H505 WeakPolarHBondContact CB-NE2 3.47Å; S488-H505 PolarHBondContact OG-CE1 3.48Å; S488-H505 PolarHBondContact OG-NE2 3.43Å
489	M	89.2	Confident	79	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-46.6	-178.7	-177.2	171.8	67.7	0	0	111.9	F259 L448 T451 S485 L486 S491 V492 V493 L510	F259-M489 HydrophobicContact CB-CE 3.66Å; F259-M489 HydrophobicContact CD2-CE 4.04Å; F259-M489 HydrophobicContact CG-CE 3.89Å; L448-M489 HydrophobicContact CB-SD 4.17Å; L448-M489 HydrophobicContact CD1-CG 4.37Å; L448-M489 HydrophobicContact CD1-SD 3.58Å; L448-M489 VanDerWaalsContact CD1-SD 3.58Å; L448-M489 HydrophobicContact CG-SD 4.44Å; T451-M489 HydrophobicContact CG2-CB 4.23Å; T451-M489 HydrophobicContact CG2-CE 3.58Å; T451-M489 HydrophobicContact CG2-SD 3.74Å; S485-M489 WeakPolarHBondContact O-CB 3.43Å; S485-M489 PolarHBondContact O-N 3.16Å; L486-M489 HydrophobicContact CD1-CE 3.8Å; M489-S491 VanDerWaalsContact C-N 3.29Å; M489-S491 PolarHBondContact O-N 2.98Å; M489-V492 PolarHBondContact O-N 3.18Å; M489-V493 WeakPolarHBondContact O-CG2 3.24Å; M489-V493 PolarHBondContact O-N 3.1Å; M489-L510 HydrophobicContact SD-CD2 4.46Å
490	T	91.1	Very high	81.3	Confident	10 Å²	10	36.7 Å²	36.7	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-35.2	174	49.1	0	0	0	0	112.6	F259 L486 S487 L494 L544 F547	F259-T490 HydrophobicContact CE2-CG2 3.72Å; F259-T490 HydrophobicContact CZ-CG2 4.23Å; L486-T490 WeakPolarHBondContact O-CB 3.32Å; L486-T490 WeakPolarHBondContact O-CG2 3.43Å; L486-T490 PolarHBondContact O-N 3.27Å; L486-T490 PolarHBondContact O-OG1 2.87Å; S487-T490 WeakPolarHBondContact CA-OG1 3.43Å; S487-T490 PolarHBondContact O-OG1 3.05Å; T490-L494 VanDerWaalsContact O-CB 3.24Å; T490-L494 WeakPolarHBondContact O-CB 3.35Å; T490-L494 PolarHBondContact O-N 3.49Å; T490-L544 HydrophobicContact CG2-CD2 4.22Å; T490-F547 VanDerWaalsContact CB-CD2 3.47Å; T490-F547 HydrophobicContact CG2-CB 4.08Å; T490-F547 HydrophobicContact CG2-CD1 3.94Å; T490-F547 HydrophobicContact CG2-CD2 3.87Å; T490-F547 HydrophobicContact CG2-CE1 4.33Å; T490-F547 HydrophobicContact CG2-CE2 4.23Å; T490-F547 HydrophobicContact CG2-CG 3.68Å; T490-F547 HydrophobicContact CG2-CZ 4.43Å; T490-F547 WeakPolarHBondContact O-CD2 3.39Å; T490-F547 WeakPolarHBondContact O-CE2 3.36Å
491	S	91.8	Very high	83	Confident	53 Å²	53	40.3 Å²	40.3	37%	0.371	23%	0.233	S	C	.	.	H	α-helix	trans	-69.6	-37.2	175.4	-61.5	0	0	0	0	112.8	S487 S488 M489 A495	S487-S491 VanDerWaalsContact O-CB 3.24Å; S487-S491 WeakPolarHBondContact O-CB 3.32Å; S487-S491 PolarHBondContact O-N 3.09Å; S487-S491 VanDerWaalsContact O-N 3.1Å; S487-S491 PolarHBondContact O-OG 3.39Å; S488-S491 WeakPolarHBondContact O-CB 3.36Å; S488-S491 PolarHBondContact O-N 3.24Å; S488-S491 VanDerWaalsContact O-N 3.16Å; M489-S491 VanDerWaalsContact C-N 3.29Å; M489-S491 PolarHBondContact O-N 2.98Å; S491-A495 WeakPolarHBondContact O-CB 3.37Å; S491-A495 PolarHBondContact O-N 2.82Å
492	V	91.9	Very high	84.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-54.2	171.5	168.5	0	0	0	0	110.7	L484 S488 M489 L494 A495 L496 P504 H505 L514	L484-V492 HydrophobicContact CD1-CG2 4.42Å; S488-V492 WeakPolarHBondContact O-CG2 3.38Å; S488-V492 PolarHBondContact O-N 3.42Å; M489-V492 PolarHBondContact O-N 3.18Å; V492-L494 VanDerWaalsContact C-N 3.34Å; V492-L494 PolarHBondContact O-N 2.97Å; V492-A495 PolarHBondContact O-N 2.82Å; V492-A495 VanDerWaalsContact O-N 3.14Å; V492-L496 HydrophobicContact CG1-CD1 3.88Å; V492-L496 HydrophobicContact CG1-CG 4.46Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 2.9Å; V492-P504 HydrophobicContact CG2-CB 4.15Å; V492-H505 HydrophobicContact CG2-CB 4.22Å; V492-L514 HydrophobicContact CG1-CD1 4.33Å
493	V	91.5	Very high	85.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-42.9	-179.4	172.8	0	0	0	0	111.3	M489 A495 L496 I497 L514 I527 F547	M489-V493 WeakPolarHBondContact O-CG2 3.24Å; M489-V493 PolarHBondContact O-N 3.1Å; V493-A495 PolarHBondContact O-N 2.96Å; V493-L496 PolarHBondContact O-N 2.75Å; V493-I497 HydrophobicContact CG1-CD1 3.56Å; V493-I497 HydrophobicContact CG1-CG1 4.48Å; V493-I497 WeakPolarHBondContact O-CB 3.48Å; V493-I497 WeakPolarHBondContact O-CD1 3.26Å; V493-I497 VanDerWaalsContact O-CG1 3.23Å; V493-I497 WeakPolarHBondContact O-CG1 3.32Å; V493-I497 PolarHBondContact O-N 3.02Å; V493-L514 HydrophobicContact CG2-CD1 4.21Å; V493-I527 HydrophobicContact CG1-CD1 3.93Å; V493-F547 HydrophobicContact CB-CE2 4.33Å; V493-F547 HydrophobicContact CB-CZ 4.3Å; V493-F547 HydrophobicContact CG1-CE2 4.24Å; V493-F547 HydrophobicContact CG1-CZ 3.85Å
494	L	91.6	Very high	86.6	Confident	30 Å²	30	40.5 Å²	40.5	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-42.8	175.6	179.9	60.6	0	0	0	112.4	T490 V492 I497 N498 F547 K550 I551	T490-L494 VanDerWaalsContact O-CB 3.24Å; T490-L494 WeakPolarHBondContact O-CB 3.35Å; T490-L494 PolarHBondContact O-N 3.49Å; V492-L494 VanDerWaalsContact C-N 3.34Å; V492-L494 PolarHBondContact O-N 2.97Å; L494-I497 PolarHBondContact O-N 3.4Å; L494-N498 WeakPolarHBondContact O-CB 3.21Å; L494-N498 VanDerWaalsContact O-CG 3.23Å; L494-N498 PolarHBondContact O-N 3.09Å; L494-N498 PolarHBondContact O-ND2 2.87Å; L494-F547 HydrophobicContact CB-CD2 4.34Å; L494-F547 HydrophobicContact CB-CE2 4.08Å; L494-K550 HydrophobicContact CD1-CB 4.31Å; L494-K550 HydrophobicContact CD2-CB 4.05Å; L494-K550 HydrophobicContact CD2-CD 3.96Å; L494-I551 HydrophobicContact CD1-CG1 3.67Å
495	A	90.8	Very high	86.9	Confident	8 Å²	8	44 Å²	44	7%	0.066	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-41.1	178	0	0	0	0	0	112.3	S491 V492 V493 N498 G499 N500 H503	S491-A495 WeakPolarHBondContact O-CB 3.37Å; S491-A495 PolarHBondContact O-N 2.82Å; V492-A495 PolarHBondContact O-N 2.82Å; V492-A495 VanDerWaalsContact O-N 3.14Å; V493-A495 PolarHBondContact O-N 2.96Å; A495-N498 PolarHBondContact O-N 2.77Å; A495-G499 PolarHBondContact O-N 3.3Å; A495-N500 HydrophobicContact CB-CB 4.36Å; A495-N500 WeakPolarHBondContact O-CB 3.34Å; A495-N500 PolarHBondContact O-N 2.7Å; A495-H503 HydrophobicContact CB-CB 3.99Å
496	L	90.3	Very high	87	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-46.3	176.3	-68.1	172.3	0	0	0	111.6	V492 V493 N498 G499 L514 R515 I518	V492-L496 HydrophobicContact CG1-CD1 3.88Å; V492-L496 HydrophobicContact CG1-CG 4.46Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 2.9Å; V493-L496 PolarHBondContact O-N 2.75Å; L496-N498 VanDerWaalsContact C-N 3.31Å; L496-N498 PolarHBondContact O-N 3.17Å; L496-G499 WeakPolarHBondContact O-CA 3.21Å; L496-G499 PolarHBondContact O-N 3.28Å; L496-L514 HydrophobicContact CD1-CB 3.8Å; L496-R515 HydrophobicContact CD2-CB 3.9Å; L496-R515 HydrophobicContact CD2-CG 4.3Å; L496-R515 VanDerWaalsContact CD2-NH2 3.29Å; L496-I518 HydrophobicContact CB-CG2 4.34Å; L496-I518 HydrophobicContact CD1-CD1 4.06Å
497	I	87.4	Confident	87	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-33.4	178.6	-71.9	167.8	0	0	0	112.8	V162 V493 L494 G499 I518 I527 I551 R558	V162-I497 HydrophobicContact CG1-CD1 4.04Å; V162-I497 HydrophobicContact CG2-CB 4.23Å; V162-I497 HydrophobicContact CG2-CD1 3.91Å; V162-I497 HydrophobicContact CG2-CG1 3.75Å; V162-I497 HydrophobicContact CG2-CG2 3.57Å; V493-I497 HydrophobicContact CG1-CD1 3.56Å; V493-I497 HydrophobicContact CG1-CG1 4.48Å; V493-I497 WeakPolarHBondContact O-CB 3.48Å; V493-I497 WeakPolarHBondContact O-CD1 3.26Å; V493-I497 VanDerWaalsContact O-CG1 3.23Å; V493-I497 WeakPolarHBondContact O-CG1 3.32Å; V493-I497 PolarHBondContact O-N 3.02Å; L494-I497 PolarHBondContact O-N 3.4Å; I497-G499 PolarHBondContact O-N 2.91Å; I497-I518 HydrophobicContact CG1-CG2 4.35Å; I497-I527 HydrophobicContact CD1-CD1 3.8Å; I497-I551 HydrophobicContact CD1-CD1 3.71Å; I497-I551 HydrophobicContact CG2-CG2 4.31Å; I497-R558 PolarHBondContact O-NH1 2.88Å; I497-R558 PolarHBondContact O-NH2 2.88Å
498	N	85.9	Confident	87.1	Confident	56 Å²	56	50.8 Å²	50.8	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-72.8	-12.4	172.9	-70.8	-23.4	0	0	0	112.6	L494 A495 L496 N500 S554 R558	L494-N498 WeakPolarHBondContact O-CB 3.21Å; L494-N498 VanDerWaalsContact O-CG 3.23Å; L494-N498 PolarHBondContact O-N 3.09Å; L494-N498 PolarHBondContact O-ND2 2.87Å; A495-N498 PolarHBondContact O-N 2.77Å; L496-N498 VanDerWaalsContact C-N 3.31Å; L496-N498 PolarHBondContact O-N 3.17Å; N498-N500 WeakPolarHBondContact CB-OD1 3.43Å; N498-S554 PolarHBondContact OD1-OG 2.6Å; N498-R558 PolarHBondContact O-NH2 2.98Å
499	G	82.2	Confident	87.2	Confident	58 Å²	58	53.1 Å²	53.1	60%	0.598	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	21	176.3	0	0	0	0	0	113.3	A495 L496 I497 R501	A495-G499 PolarHBondContact O-N 3.3Å; L496-G499 WeakPolarHBondContact O-CA 3.21Å; L496-G499 PolarHBondContact O-N 3.28Å; I497-G499 PolarHBondContact O-N 2.91Å; G499-R501 PolarHBondContact O-N 2.82Å
500	N	83.5	Confident	87.2	Confident	72 Å²	72	53 Å²	53	39%	0.385	27%	0.273	S	S	.	.			trans	-75.1	127.6	-171.3	-58.7	5.5	0	0	0	111	A495 N498 H502 R515	A495-N500 HydrophobicContact CB-CB 4.36Å; A495-N500 WeakPolarHBondContact O-CB 3.34Å; A495-N500 PolarHBondContact O-N 2.7Å; N498-N500 WeakPolarHBondContact CB-OD1 3.43Å; N500-H502 VanDerWaalsContact C-N 3.32Å; N500-H502 WeakPolarHBondContact CB-O 3.1Å; N500-R515 PolarHBondContact O-NH2 3.35Å
501	R	76.6	Confident	87.2	Confident	204 Å²	204	52.6 Å²	52.6	77%	0.77	27%	0.27	S	S	*	.	S	Bend	trans	-65.7	-37.3	172	-55.4	-169.5	-164	-162.4	7.5	111.5	G499 R506 R515	G499-R501 PolarHBondContact O-N 2.82Å; R501-R506 PolarHBondContact O-NH2 2.9Å; R501-R515 PolarHBondContact O-NH2 3.45Å
502	H	81.1	Confident	87.1	Confident	122 Å²	122	51 Å²	51	57%	0.565	26%	0.257	S	S	*	.	S	Bend	trans	-93.6	125.2	167.3	-148.7	-57.9	0	0	0	109.5	N500 R506	N500-H502 VanDerWaalsContact C-N 3.32Å; N500-H502 WeakPolarHBondContact CB-O 3.1Å; H502-R506 VanDerWaalsContact CD2-CZ 3.46Å; H502-R506 PolarHBondContact CD2-NH1 3.01Å; H502-R506 VanDerWaalsContact CE1-CD 3.49Å; H502-R506 WeakPolarHBondContact CE1-CD 3.46Å; H502-R506 PolarHBondContact NE2-NH1 2.83Å
503	H	84.7	Confident	87.1	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.032	26%	0.258	C	S	.	.			trans	-116.4	162.6	170.7	59	-62.7	0	0	0	108.3	A495 R506 R515	A495-H503 HydrophobicContact CB-CB 3.99Å; H503-R506 WeakPolarHBondContact O-CG 3.47Å; H503-R515 PolarHBondContact CE1-NE 3.2Å; H503-R515 PolarHBondContact ND1-NE 3.04Å; H503-R515 PolarHBondContact ND1-NH2 2.59Å
504	P	86.9	Confident	87.2	Confident	49 Å²	49	51.3 Å²	51.3	32%	0.318	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	161.2	164.3	-23.1	35	0	0	0	111.2	V492 R506	V492-P504 HydrophobicContact CG2-CB 4.15Å; P504-R506 VanDerWaalsContact C-N 3.29Å; P504-R506 PolarHBondContact O-N 3.08Å; P504-R506 VanDerWaalsContact O-N 3.1Å
505	H	85.8	Confident	87.1	Confident	88 Å²	88	52.5 Å²	52.5	41%	0.407	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.2	168.4	-54.3	-75.9	0	0	0	116.2	L484 S488 V492 N507 S508 S511	L484-H505 HydrophobicContact CD2-CB 3.74Å; S488-H505 WeakPolarHBondContact CB-NE2 3.47Å; S488-H505 PolarHBondContact OG-CE1 3.48Å; S488-H505 PolarHBondContact OG-NE2 3.43Å; V492-H505 HydrophobicContact CG2-CB 4.22Å; H505-N507 PolarHBondContact O-N 2.87Å; H505-S508 WeakPolarHBondContact O-CB 3.46Å; H505-S508 PolarHBondContact O-N 2.78Å; H505-S511 VanDerWaalsContact O-CB 3.31Å; H505-S511 WeakPolarHBondContact O-CB 3.45Å; H505-S511 PolarHBondContact O-OG 3.18Å
506	R	85.1	Confident	86.9	Confident	100 Å²	100	54.2 Å²	54.2	38%	0.377	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-31.7	-178.4	-68.5	-172.6	136.9	178.7	-12.1	115.3	R501 H502 H503 P504 S508 Q512	R501-R506 PolarHBondContact O-NH2 2.9Å; H502-R506 VanDerWaalsContact CD2-CZ 3.46Å; H502-R506 PolarHBondContact CD2-NH1 3.01Å; H502-R506 VanDerWaalsContact CE1-CD 3.49Å; H502-R506 WeakPolarHBondContact CE1-CD 3.46Å; H502-R506 PolarHBondContact NE2-NH1 2.83Å; H503-R506 WeakPolarHBondContact O-CG 3.47Å; P504-R506 VanDerWaalsContact C-N 3.29Å; P504-R506 PolarHBondContact O-N 3.08Å; P504-R506 VanDerWaalsContact O-N 3.1Å; R506-S508 VanDerWaalsContact C-N 3.32Å; R506-Q512 WeakPolarHBondContact O-CG 3.38Å; R506-Q512 PolarHBondContact O-NE2 3.28Å
507	N	83.9	Confident	86.8	Confident	151 Å²	151	53.8 Å²	53.8	81%	0.807	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.6	-175.8	-51.7	25.6	0	0	0	112.7	H505	H505-N507 PolarHBondContact O-N 2.87Å
508	S	88.9	Confident	86.9	Confident	11 Å²	11	53.6 Å²	53.6	8%	0.077	26%	0.264	C	S	.	.	S	Bend	trans	-79.3	126.1	174.3	144.4	0	0	0	0	109.3	E319 H505 R506 L510 S511 Q512	E319-S508 WeakPolarHBondContact OE1-CB 3.49Å; E319-S508 PolarHBondContact OE1-OG 3.28Å; E319-S508 WeakPolarHBondContact OE2-CA 3.09Å; H505-S508 WeakPolarHBondContact O-CB 3.46Å; H505-S508 PolarHBondContact O-N 2.78Å; R506-S508 VanDerWaalsContact C-N 3.32Å; S508-L510 PolarHBondContact O-N 3.08Å; S508-L510 PolarHBondContact OG-N 2.76Å; S508-S511 WeakPolarHBondContact O-CA 3.22Å; S508-S511 VanDerWaalsContact O-CB 3.27Å; S508-S511 WeakPolarHBondContact O-CB 3.47Å; S508-S511 PolarHBondContact O-N 2.82Å; S508-S511 PolarHBondContact OG-N 3.35Å; S508-S511 PolarHBondContact OG-OG 3.45Å; S508-Q512 WeakPolarHBondContact O-CG 3.19Å; S508-Q512 PolarHBondContact O-N 2.85Å; S508-Q512 VanDerWaalsContact O-N 3.08Å
509	K	90.7	Very high	86.4	Confident	69 Å²	69	53 Å²	53	30%	0.3	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-33.4	177.9	-62.5	165	-171.1	158.9	0	111	L314 E318 E319 L344 S511 Q512 M513	L314-K509 HydrophobicContact CD1-CB 3.96Å; L314-K509 HydrophobicContact CD1-CD 4.38Å; L314-K509 HydrophobicContact CD2-CB 4.44Å; E318-K509 PolarHBondContact O-NZ 3.34Å; E319-K509 HydrophobicContact CB-CB 4.13Å; E319-K509 HydrophobicContact CB-CD 3.75Å; E319-K509 HydrophobicContact CB-CG 4.37Å; E319-K509 WeakPolarHBondContact O-CD 3.38Å; E319-K509 WeakPolarHBondContact O-CE 3.34Å; E319-K509 PolarHBondContact O-NZ 2.83Å; E319-K509 PolarHBondContact OE1-N 2.72Å; E319-K509 PolarHBondContact OE2-N 3.24Å; L344-K509 HydrophobicContact CD1-CB 3.68Å; L344-K509 HydrophobicContact CD1-CG 3.98Å; K509-S511 VanDerWaalsContact C-N 3.29Å; K509-S511 PolarHBondContact O-N 2.83Å; K509-Q512 WeakPolarHBondContact O-CB 3.48Å; K509-Q512 PolarHBondContact O-N 3.17Å; K509-M513 WeakPolarHBondContact O-CG 3.44Å; K509-M513 PolarHBondContact O-N 3.47Å
510	L	90.3	Very high	86.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-43.4	171.2	179.3	56.6	0	0	0	111.4	L314 E319 H415 F417 L448 L484 M489 S508 Q512 M513 L514	L314-L510 HydrophobicContact CD2-CB 3.57Å; L314-L510 HydrophobicContact CD2-CD1 4.31Å; L314-L510 HydrophobicContact CD2-CG 4.48Å; E319-L510 WeakPolarHBondContact OE1-CB 3.48Å; E319-L510 PolarHBondContact OE1-N 3.27Å; E319-L510 VanDerWaalsContact OE1-N 3.07Å; H415-L510 HydrophobicContact CB-CD1 4.4Å; F417-L510 HydrophobicContact CE2-CD1 4.06Å; F417-L510 HydrophobicContact CZ-CD1 3.88Å; L448-L510 HydrophobicContact CD2-CD1 3.84Å; L484-L510 HydrophobicContact CD1-CD2 4.14Å; L484-L510 HydrophobicContact CD1-CG 4.49Å; M489-L510 HydrophobicContact SD-CD2 4.46Å; S508-L510 PolarHBondContact O-N 3.08Å; S508-L510 PolarHBondContact OG-N 2.76Å; L510-Q512 VanDerWaalsContact C-N 3.32Å; L510-Q512 PolarHBondContact O-N 2.7Å; L510-M513 PolarHBondContact O-N 3.19Å; L510-L514 HydrophobicContact CD1-CD1 4.04Å; L510-L514 HydrophobicContact CD1-CG 4.16Å; L510-L514 HydrophobicContact CG-CD1 4.03Å; L510-L514 WeakPolarHBondContact O-CB 3.49Å; L510-L514 VanDerWaalsContact O-CG 3.24Å; L510-L514 WeakPolarHBondContact O-CG 3.36Å; L510-L514 PolarHBondContact O-N 3.37Å
511	S	90.8	Very high	85.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-34.8	178.1	-54.6	0	0	0	0	112.4	L484 H505 S508 K509 R515	L484-S511 WeakPolarHBondContact CD1-OG 3.13Å; H505-S511 VanDerWaalsContact O-CB 3.31Å; H505-S511 WeakPolarHBondContact O-CB 3.45Å; H505-S511 PolarHBondContact O-OG 3.18Å; S508-S511 WeakPolarHBondContact O-CA 3.22Å; S508-S511 VanDerWaalsContact O-CB 3.27Å; S508-S511 WeakPolarHBondContact O-CB 3.47Å; S508-S511 PolarHBondContact O-N 2.82Å; S508-S511 PolarHBondContact OG-N 3.35Å; S508-S511 PolarHBondContact OG-OG 3.45Å; K509-S511 VanDerWaalsContact C-N 3.29Å; K509-S511 PolarHBondContact O-N 2.83Å; S511-R515 WeakPolarHBondContact O-CB 3.47Å; S511-R515 PolarHBondContact O-N 3.07Å; S511-R515 VanDerWaalsContact O-N 3.08Å
512	Q	90.3	Very high	85.9	Confident	21 Å²	21	46.6 Å²	46.6	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-45.1	174.4	-62.7	-170	-18.3	0	0	112.5	L344 E346 T352 R506 S508 K509 L510 R515 E516	L344-Q512 HydrophobicContact CD1-CB 4.08Å; E346-Q512 PolarHBondContact OE2-NE2 2.94Å; T352-Q512 HydrophobicContact CG2-CB 3.79Å; T352-Q512 HydrophobicContact CG2-CG 3.76Å; T352-Q512 PolarHBondContact OG1-O 3.4Å; R506-Q512 WeakPolarHBondContact O-CG 3.38Å; R506-Q512 PolarHBondContact O-NE2 3.28Å; S508-Q512 WeakPolarHBondContact O-CG 3.19Å; S508-Q512 PolarHBondContact O-N 2.85Å; S508-Q512 VanDerWaalsContact O-N 3.08Å; K509-Q512 WeakPolarHBondContact O-CB 3.48Å; K509-Q512 PolarHBondContact O-N 3.17Å; L510-Q512 VanDerWaalsContact C-N 3.32Å; L510-Q512 PolarHBondContact O-N 2.7Å; Q512-R515 VanDerWaalsContact O-CB 3.31Å; Q512-R515 WeakPolarHBondContact O-CB 3.32Å; Q512-R515 PolarHBondContact O-N 3.31Å; Q512-R515 VanDerWaalsContact O-N 3.16Å; Q512-E516 PolarHBondContact O-N 3.01Å; Q512-E516 VanDerWaalsContact O-N 3.09Å
513	M	91.5	Very high	86.3	Confident	6 Å²	6	41 Å²	41	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-42.8	175.8	-66	177.1	83.9	0	0	112.2	V312 L314 L321 L344 L354 F417 K509 L510 R515 E516 A517	V312-M513 HydrophobicContact CB-CE 4.35Å; V312-M513 HydrophobicContact CG1-CE 3.89Å; L314-M513 HydrophobicContact CB-SD 4.23Å; L314-M513 HydrophobicContact CD1-SD 4.03Å; L314-M513 HydrophobicContact CD2-SD 4.38Å; L314-M513 HydrophobicContact CG-SD 4.47Å; L321-M513 HydrophobicContact CD2-CE 4.01Å; L321-M513 HydrophobicContact CD2-SD 3.61Å; L344-M513 HydrophobicContact CD1-CG 4.08Å; L344-M513 HydrophobicContact CD2-CG 4.17Å; L354-M513 HydrophobicContact CD2-CE 3.98Å; F417-M513 HydrophobicContact CB-CE 4.03Å; F417-M513 HydrophobicContact CD1-CB 4.31Å; F417-M513 HydrophobicContact CD1-CE 4.02Å; F417-M513 HydrophobicContact CD2-CE 3.44Å; F417-M513 VanDerWaalsContact CD2-CE 3.44Å; F417-M513 HydrophobicContact CD2-SD 4.09Å; F417-M513 HydrophobicContact CE1-CB 3.6Å; F417-M513 HydrophobicContact CE1-CE 4.34Å; F417-M513 HydrophobicContact CE2-CB 4.2Å; F417-M513 HydrophobicContact CE2-CE 3.82Å; F417-M513 HydrophobicContact CE2-SD 3.85Å; F417-M513 HydrophobicContact CG-CE 3.57Å; F417-M513 HydrophobicContact CZ-CB 3.54Å; F417-M513 HydrophobicContact CZ-CE 4.26Å; F417-M513 HydrophobicContact CZ-CG 4.47Å; F417-M513 HydrophobicContact CZ-SD 4.17Å; K509-M513 WeakPolarHBondContact O-CG 3.44Å; K509-M513 PolarHBondContact O-N 3.47Å; L510-M513 PolarHBondContact O-N 3.19Å; M513-R515 PolarHBondContact O-N 3.4Å; M513-E516 PolarHBondContact O-N 2.81Å; M513-E516 VanDerWaalsContact O-N 3.13Å; M513-A517 PolarHBondContact O-N 2.85Å; M513-A517 VanDerWaalsContact O-N 3.13Å
514	L	92.5	Very high	86.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-31.9	173.6	-70.7	171.5	0	0	0	111.7	F417 I446 L448 V492 V493 L496 L510 I518	F417-L514 HydrophobicContact CE1-CD2 4.38Å; F417-L514 HydrophobicContact CZ-CD2 4.33Å; F417-L514 HydrophobicContact CZ-CG 4.41Å; I446-L514 HydrophobicContact CD1-CD2 4.29Å; L448-L514 HydrophobicContact CD1-CD2 4.44Å; V492-L514 HydrophobicContact CG1-CD1 4.33Å; V493-L514 HydrophobicContact CG2-CD1 4.21Å; L496-L514 HydrophobicContact CD1-CB 3.8Å; L510-L514 HydrophobicContact CD1-CD1 4.04Å; L510-L514 HydrophobicContact CD1-CG 4.16Å; L510-L514 HydrophobicContact CG-CD1 4.03Å; L510-L514 WeakPolarHBondContact O-CB 3.49Å; L510-L514 VanDerWaalsContact O-CG 3.24Å; L510-L514 WeakPolarHBondContact O-CG 3.36Å; L510-L514 PolarHBondContact O-N 3.37Å; L514-I518 HydrophobicContact CB-CD1 4.28Å; L514-I518 HydrophobicContact CD2-CD1 4.27Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 VanDerWaalsContact O-CG1 3.24Å; L514-I518 WeakPolarHBondContact O-CG1 3Å; L514-I518 PolarHBondContact O-N 3.04Å
515	R	89.9	Confident	87.1	Confident	55 Å²	55	40.5 Å²	40.5	21%	0.208	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-40.3	172.8	170.3	165.9	-67.8	-81.9	-7.4	112.6	L496 N500 R501 H503 S511 Q512 M513 G519	L496-R515 HydrophobicContact CD2-CB 3.9Å; L496-R515 HydrophobicContact CD2-CG 4.3Å; L496-R515 VanDerWaalsContact CD2-NH2 3.29Å; N500-R515 PolarHBondContact O-NH2 3.35Å; R501-R515 PolarHBondContact O-NH2 3.45Å; H503-R515 PolarHBondContact CE1-NE 3.2Å; H503-R515 PolarHBondContact ND1-NE 3.04Å; H503-R515 PolarHBondContact ND1-NH2 2.59Å; S511-R515 WeakPolarHBondContact O-CB 3.47Å; S511-R515 PolarHBondContact O-N 3.07Å; S511-R515 VanDerWaalsContact O-N 3.08Å; Q512-R515 VanDerWaalsContact O-CB 3.31Å; Q512-R515 WeakPolarHBondContact O-CB 3.32Å; Q512-R515 PolarHBondContact O-N 3.31Å; Q512-R515 VanDerWaalsContact O-N 3.16Å; M513-R515 PolarHBondContact O-N 3.4Å; R515-G519 VanDerWaalsContact O-CA 3.24Å; R515-G519 WeakPolarHBondContact O-CA 3.41Å; R515-G519 PolarHBondContact O-N 3.03Å
516	E	86.5	Confident	87.5	Confident	43 Å²	43	36.3 Å²	36.3	20%	0.201	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-40.5	177.3	-159.6	-159	121	0	0	112.3	Q353 L354 R442 Q512 M513	Q353-E516 WeakPolarHBondContact CA-OE2 3.44Å; L354-E516 VanDerWaalsContact CB-OE2 3.32Å; L354-E516 WeakPolarHBondContact CB-OE2 3.29Å; L354-E516 PolarHBondContact N-OE2 2.94Å; R442-E516 PolarHBondContact NH1-O 3.08Å; R442-E516 IonicContact NH1-OE1 3.61Å; R442-E516 PolarHBondContact NH1-OE1 2.97Å; R442-E516 PolarHBondContact NH2-O 3.14Å; Q512-E516 PolarHBondContact O-N 3.01Å; Q512-E516 VanDerWaalsContact O-N 3.09Å; M513-E516 PolarHBondContact O-N 2.81Å; M513-E516 VanDerWaalsContact O-N 3.13Å
517	A	89.1	Confident	88	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-76.7	-37.1	-177.3	0	0	0	0	0	114	H444 I446 M513 C523	H444-A517 HydrophobicContact CB-CB 4.19Å; I446-A517 HydrophobicContact CD1-CB 3.86Å; M513-A517 PolarHBondContact O-N 2.85Å; M513-A517 VanDerWaalsContact O-N 3.13Å; A517-C523 PolarHBondContact O-SG 2.67Å
518	I	88.3	Confident	88.5	Confident	10 Å²	10	24.4 Å²	24.4	5%	0.051	14%	0.14	C	C	.	.	H	α-helix	trans	-101.1	-23.7	-174.3	-49.2	166.9	0	0	0	112	I257 L496 I497 L514 S520	I257-I518 HydrophobicContact CD1-CD1 3.45Å; I257-I518 VanDerWaalsContact CD1-CD1 3.45Å; I257-I518 HydrophobicContact CD1-CG1 4Å; L496-I518 HydrophobicContact CB-CG2 4.34Å; L496-I518 HydrophobicContact CD1-CD1 4.06Å; I497-I518 HydrophobicContact CG1-CG2 4.35Å; L514-I518 HydrophobicContact CB-CD1 4.28Å; L514-I518 HydrophobicContact CD2-CD1 4.27Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 VanDerWaalsContact O-CG1 3.24Å; L514-I518 WeakPolarHBondContact O-CG1 3Å; L514-I518 PolarHBondContact O-N 3.04Å; I518-S520 PolarHBondContact O-N 3.27Å; I518-S520 VanDerWaalsContact O-N 3.13Å
519	G	75.6	Confident	88.8	Confident	44 Å²	44	24 Å²	24	45%	0.454	14%	0.137	S	C	.	.			trans	-64.8	-19.2	-169.8	0	0	0	0	0	115.7	R515 I521	R515-G519 VanDerWaalsContact O-CA 3.24Å; R515-G519 WeakPolarHBondContact O-CA 3.41Å; R515-G519 PolarHBondContact O-N 3.03Å; G519-I521 PolarHBondContact O-N 2.74Å
520	S	78	Confident	88.7	Confident	42 Å²	42	20.7 Å²	20.7	29%	0.294	12%	0.123	S	C	.	.	S	Bend	trans	-62.6	123.6	176.1	176.6	0	0	0	0	111.2	D253 I518 G522 C523	D253-S520 WeakPolarHBondContact OD2-CB 3.35Å; D253-S520 PolarHBondContact OD2-OG 3.08Å; I518-S520 PolarHBondContact O-N 3.27Å; I518-S520 VanDerWaalsContact O-N 3.13Å; S520-G522 PolarHBondContact O-N 2.61Å; S520-C523 VanDerWaalsContact O-CB 3.26Å; S520-C523 WeakPolarHBondContact O-CB 3.25Å; S520-C523 PolarHBondContact O-N 3.33Å
521	I	74	Confident	88.6	Confident	123 Å²	123	20.7 Å²	20.7	63%	0.631	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.8	-178.1	-61.2	174.7	0	0	0	111.7	K161 G519	K161-I521 PolarHBondContact NZ-O 3.42Å; G519-I521 PolarHBondContact O-N 2.74Å
522	G	80.7	Confident	88.4	Confident	34 Å²	34	20.7 Å²	20.7	35%	0.351	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-6	175.8	0	0	0	0	0	115.4	S520 R524	S520-G522 PolarHBondContact O-N 2.61Å; G522-R524 PolarHBondContact O-N 2.92Å
523	C	90	Very high	88.2	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.034	13%	0.131	C	C	.	.			trans	-61.9	126.8	-172.8	-171.3	0	0	0	0	112.3	D253 C255 A517 S520	D253-C523 HydrophobicContact CB-CB 4.17Å; D253-C523 CarbonylContact O-C 3.56Å; D253-C523 WeakPolarHBondContact O-CA 3.43Å; C255-C523 VanDerWaalsContact CB-SG 3.53Å; A517-C523 PolarHBondContact O-SG 2.67Å; S520-C523 VanDerWaalsContact O-CB 3.26Å; S520-C523 WeakPolarHBondContact O-CB 3.25Å; S520-C523 PolarHBondContact O-N 3.33Å
524	R	92.8	Very high	87.8	Confident	41 Å²	41	22.8 Å²	22.8	16%	0.155	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	100.3	172	-175.1	58.4	165.6	-156.2	-5.6	108.8	T159 D243 I244 D253 G254 C255 G522	T159-R524 PolarHBondContact O-NH1 3.06Å; T159-R524 PolarHBondContact OG1-NH1 2.77Å; T159-R524 VanDerWaalsContact OG1-NH1 3.1Å; T159-R524 PolarHBondContact OG1-NH2 3.5Å; D243-R524 HydrophobicContact CB-CG 4.46Å; D243-R524 IonicContact OD2-CZ 3.96Å; D243-R524 IonicContact OD2-NE 3.94Å; D243-R524 IonicContact OD2-NH2 2.67Å; D243-R524 PolarHBondContact OD2-NH2 3.01Å; I244-R524 HydrophobicContact CG1-CG 4.11Å; D253-R524 PolarHBondContact O-N 3.29Å; G254-R524 WeakPolarHBondContact CA-O 3.29Å; C255-R524 PolarHBondContact N-O 2.97Å; G522-R524 PolarHBondContact O-N 2.92Å
525	T	94	Very high	87.4	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.025	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143	-175	-36.6	0	0	0	0	111.7	K161 V162 K163 C255 I257	K161-T525 PolarHBondContact O-N 3.29Å; V162-T525 CarbonylContact C-O 3.49Å; V162-T525 VanDerWaalsContact CA-O 3.27Å; V162-T525 WeakPolarHBondContact CA-O 3.41Å; V162-T525 HydrophobicContact CG1-CG2 4.39Å; K163-T525 PolarHBondContact N-O 3.07Å; C255-T525 HydrophobicContact CB-CG2 4.35Å; C255-T525 CarbonylContact O-C 3.57Å; C255-T525 WeakPolarHBondContact O-CA 3.48Å; I257-T525 HydrophobicContact CD1-CG2 4.13Å; I257-T525 HydrophobicContact CG1-CG2 4.47Å
526	C	95.6	Very high	87.1	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.6	158.2	-171.4	0	0	0	0	109.4	K163 I165 I244 C255 L256 I257	K163-C526 HydrophobicContact CB-CB 4.17Å; K163-C526 CarbonylContact O-C 3.58Å; K163-C526 WeakPolarHBondContact O-CA 3.36Å; I165-C526 VanDerWaalsContact CD1-SG 3.55Å; I244-C526 HydrophobicContact CD1-CB 3.54Å; C255-C526 PolarHBondContact O-N 2.96Å; L256-C526 WeakPolarHBondContact CA-O 3.44Å; L256-C526 HydrophobicContact CG-CB 4.43Å; I257-C526 PolarHBondContact N-O 2.91Å
527	I	95.2	Very high	87	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.5	170.7	-55.2	175.4	0	0	0	107.4	V162 K163 I165 I257 F259 V493 I497 I529 F547 I551	V162-I527 HydrophobicContact CG1-CD1 3.88Å; V162-I527 HydrophobicContact CG1-CG1 3.95Å; K163-I527 PolarHBondContact O-N 3.24Å; I165-I527 PolarHBondContact N-O 3.44Å; I257-I527 WeakPolarHBondContact O-CA 3.2Å; F259-I527 HydrophobicContact CD1-CG2 4.37Å; F259-I527 HydrophobicContact CE1-CG2 3.6Å; F259-I527 HydrophobicContact CZ-CG2 3.79Å; V493-I527 HydrophobicContact CG1-CD1 3.93Å; I497-I527 HydrophobicContact CD1-CD1 3.8Å; I527-I529 HydrophobicContact CG2-CG1 3.84Å; I527-F547 HydrophobicContact CD1-CE1 4.15Å; I527-F547 HydrophobicContact CD1-CZ 3.87Å; I527-I551 HydrophobicContact CD1-CD1 3.64Å
528	L	94.9	Very high	86.9	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.4	168.8	179.6	61.6	0	0	0	107.8	I165 Q167 L236 I257 F259 I282 Q530	I165-L528 HydrophobicContact CB-CD1 3.96Å; I165-L528 HydrophobicContact CG2-CD1 3.66Å; Q167-L528 HydrophobicContact CB-CD1 4.06Å; L236-L528 HydrophobicContact CD1-CD1 4.02Å; I257-L528 PolarHBondContact O-N 3.44Å; F259-L528 PolarHBondContact N-O 2.95Å; F259-L528 VanDerWaalsContact N-O 3.11Å; I282-L528 HydrophobicContact CD1-CD2 3.57Å; L528-Q530 HydrophobicContact CD1-CG 4.37Å; L528-Q530 HydrophobicContact CD2-CG 4.18Å; L528-Q530 HydrophobicContact CG-CG 3.76Å
529	I	93.2	Very high	86.9	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.8	175.6	-60.3	-179.8	0	0	0	107.8	I164 I165 L166 Q167 F259 I527 T531 L544 F547 A548	I164-I529 HydrophobicContact CG2-CD1 3.92Å; I164-I529 HydrophobicContact CG2-CG1 4.48Å; I165-I529 PolarHBondContact O-N 3.38Å; L166-I529 CarbonylContact C-O 3.56Å; L166-I529 WeakPolarHBondContact CA-O 3.43Å; L166-I529 HydrophobicContact CD1-CB 4.09Å; L166-I529 HydrophobicContact CD1-CG2 3.77Å; Q167-I529 PolarHBondContact N-O 3.09Å; F259-I529 WeakPolarHBondContact O-CA 3.48Å; I527-I529 HydrophobicContact CG2-CG1 3.84Å; I529-T531 HydrophobicContact CG2-CG2 4.19Å; I529-L544 HydrophobicContact CG2-CB 3.95Å; I529-L544 HydrophobicContact CG2-CD1 4.03Å; I529-L544 HydrophobicContact CG2-CD2 4.15Å; I529-L544 HydrophobicContact CG2-CG 4.27Å; I529-F547 HydrophobicContact CD1-CD1 4.1Å; I529-F547 HydrophobicContact CD1-CE1 4.18Å; I529-A548 HydrophobicContact CD1-CB 3.82Å
530	Q	90.1	Very high	87.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.7	-172.1	-62.2	173.9	-73.5	0	0	111	Q167 S258 F259 G260 T261 I265 S269 L528	Q167-Q530 HydrophobicContact CB-CG 4.23Å; S258-Q530 PolarHBondContact OG-OE1 3.49Å; F259-Q530 PolarHBondContact O-N 3.27Å; G260-Q530 CarbonylContact C-O 3.5Å; G260-Q530 WeakPolarHBondContact CA-O 3.4Å; T261-Q530 PolarHBondContact N-O 2.72Å; T261-Q530 VanDerWaalsContact N-O 3.09Å; I265-Q530 HydrophobicContact CG2-CB 3.96Å; I265-Q530 PolarHBondContact O-NE2 3.37Å; S269-Q530 VanDerWaalsContact CB-NE2 3.29Å; S269-Q530 PolarHBondContact OG-NE2 2.89Å; L528-Q530 HydrophobicContact CD1-CG 4.37Å; L528-Q530 HydrophobicContact CD2-CG 4.18Å; L528-Q530 HydrophobicContact CG-CG 3.76Å
531	T	88.7	Confident	88	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.6	-169.5	53.6	0	0	0	0	111.4	L166 Q167 L168 R169 I529 N541 L544	L166-T531 HydrophobicContact CD1-CG2 4.28Å; Q167-T531 PolarHBondContact O-N 3.03Å; Q167-T531 PolarHBondContact O-OG1 3.34Å; L168-T531 WeakPolarHBondContact CA-O 3.47Å; L168-T531 WeakPolarHBondContact CD2-OG1 3.45Å; R169-T531 PolarHBondContact N-O 3.45Å; I529-T531 HydrophobicContact CG2-CG2 4.19Å; T531-N541 VanDerWaalsContact CB-OD1 3.28Å; T531-N541 WeakPolarHBondContact CB-OD1 3.09Å; T531-N541 WeakPolarHBondContact CG2-OD1 3.41Å; T531-L544 HydrophobicContact CG2-CD1 3.69Å
532	S	85.6	Confident	88.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.			trans	-100	141.2	166.5	159.8	0	0	0	0	110.2	R169 D171 N534 N541	R169-S532 VanDerWaalsContact O-CA 3.29Å; R169-S532 WeakPolarHBondContact O-CA 3.46Å; D171-S532 VanDerWaalsContact CG-OG 3.25Å; D171-S532 WeakPolarHBondContact OD1-CB 3.48Å; D171-S532 PolarHBondContact OD1-OG 3.08Å; D171-S532 VanDerWaalsContact OD1-OG 3.04Å; D171-S532 PolarHBondContact OD2-OG 3.48Å; S532-N534 PolarHBondContact O-N 3.23Å; S532-N534 VanDerWaalsContact OG-CB 3.27Å; S532-N534 WeakPolarHBondContact OG-CB 3.36Å; S532-N534 PolarHBondContact OG-N 2.97Å; S532-N534 VanDerWaalsContact OG-N 3.17Å; S532-N541 PolarHBondContact O-ND2 2.58Å
533	P	85.8	Confident	89.3	Confident	43 Å²	43	26 Å²	26	28%	0.279	13%	0.13	S	C	.	.			trans	-75.4	10.7	174.2	34.7	-36.3	0	0	0	113	R169 Y184	R169-P533 WeakPolarHBondContact O-CD 3.24Å; Y184-P533 WeakPolarHBondContact CE1-O 3.28Å
534	N	83.3	Confident	89.5	Confident	28 Å²	28	25.7 Å²	25.7	15%	0.15	13%	0.128	C	C	.	.	S	Bend	trans	-74.7	143.1	175.4	-167.4	1.5	0	0	0	111.8	D171 K181 Y184 S532 N536 Y537	D171-N534 WeakPolarHBondContact OD2-CB 3.32Å; D171-N534 PolarHBondContact OD2-ND2 3.49Å; K181-N534 PolarHBondContact NZ-OD1 3.48Å; Y184-N534 WeakPolarHBondContact CE1-O 3.2Å; Y184-N534 PolarHBondContact OH-O 3.5Å; S532-N534 PolarHBondContact O-N 3.23Å; S532-N534 VanDerWaalsContact OG-CB 3.27Å; S532-N534 WeakPolarHBondContact OG-CB 3.36Å; S532-N534 PolarHBondContact OG-N 2.97Å; S532-N534 VanDerWaalsContact OG-N 3.17Å; N534-N536 VanDerWaalsContact C-N 3.26Å; N534-N536 PolarHBondContact O-N 3.15Å; N534-Y537 HydrophobicContact CB-CD2 4.17Å; N534-Y537 HydrophobicContact CB-CE2 4.4Å; N534-Y537 PolarHBondContact O-N 3.05Å
535	V	84.3	Confident	89.5	Confident	58 Å²	58	23.9 Å²	23.9	35%	0.352	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-68.5	-25.5	-168.3	70.2	0	0	0	0	113.2	Y184 P199 Y537 Y538	Y184-V535 HydrophobicContact CD1-CB 4.15Å; Y184-V535 HydrophobicContact CD1-CG2 4.2Å; Y184-V535 VanDerWaalsContact CE1-CA 3.4Å; Y184-V535 HydrophobicContact CE1-CB 4.08Å; Y184-V535 HydrophobicContact CE1-CG2 4.44Å; P199-V535 HydrophobicContact CB-CG2 3.79Å; P199-V535 HydrophobicContact CG-CG2 3.9Å; V535-Y537 PolarHBondContact O-N 3.34Å; V535-Y537 VanDerWaalsContact O-N 3.07Å; V535-Y538 WeakPolarHBondContact O-CB 3.39Å; V535-Y538 PolarHBondContact O-N 2.91Å
536	N	83.5	Confident	89.5	Confident	96 Å²	96	27.6 Å²	27.6	51%	0.513	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-55.8	-28	177	-61.8	-0.8	0	0	0	112.8	R455 N534	R455-N536 PolarHBondContact NH2-O 3.19Å; N534-N536 VanDerWaalsContact C-N 3.26Å; N534-N536 PolarHBondContact O-N 3.15Å
537	Y	83.8	Confident	89.4	Confident	39 Å²	39	27.9 Å²	27.9	15%	0.153	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-99.1	10.5	-179.5	-54	-60.7	0	0	0	114.3	L453 N534 V535 H539 E540 N541	L453-Y537 HydrophobicContact CD1-CE1 4.31Å; N534-Y537 HydrophobicContact CB-CD2 4.17Å; N534-Y537 HydrophobicContact CB-CE2 4.4Å; N534-Y537 PolarHBondContact O-N 3.05Å; V535-Y537 PolarHBondContact O-N 3.34Å; V535-Y537 VanDerWaalsContact O-N 3.07Å; Y537-H539 VanDerWaalsContact C-N 3.27Å; Y537-H539 PolarHBondContact O-N 2.78Å; Y537-E540 VanDerWaalsContact C-OE2 3.28Å; Y537-E540 VanDerWaalsContact CA-OE2 3.31Å; Y537-E540 WeakPolarHBondContact CA-OE2 3.45Å; Y537-E540 PolarHBondContact O-N 3.07Å; Y537-N541 WeakPolarHBondContact O-CB 3.21Å; Y537-N541 PolarHBondContact O-N 2.91Å; Y537-N541 PolarHBondContact O-ND2 3.28Å
538	Y	88	Confident	89.3	Confident	27 Å²	27	27.9 Å²	27.9	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-53.3	-42.3	-176	168.9	-118.5	0	0	0	113.1	Y184 L196 N197 D198 P199 K219 V535 L542	Y184-Y538 AromaticContact CD2-CD2 3.53Å; Y184-Y538 HydrophobicContact CD2-CD2 3.53Å; Y184-Y538 HydrophobicContact CD2-CE2 4.26Å; Y184-Y538 HydrophobicContact CD2-CG 4.39Å; Y184-Y538 AromaticContact CE2-CD2 3.64Å; Y184-Y538 HydrophobicContact CE2-CD2 3.64Å; Y184-Y538 HydrophobicContact CE2-CG 4.33Å; Y184-Y538 HydrophobicContact CG-CD2 4.47Å; L196-Y538 HydrophobicContact CD2-CD2 4.05Å; L196-Y538 HydrophobicContact CD2-CE2 3.57Å; L196-Y538 HydrophobicContact CG-CD2 4.27Å; L196-Y538 HydrophobicContact CG-CE2 3.88Å; N197-Y538 WeakPolarHBondContact O-CE2 3.21Å; D198-Y538 PolarHBondContact OD2-OH 3.32Å; P199-Y538 HydrophobicContact CG-CD1 4.08Å; P199-Y538 HydrophobicContact CG-CE1 4.43Å; P199-Y538 HydrophobicContact CG-CG 4.18Å; K219-Y538 PolarHBondContact NZ-OH 3.46Å; K219-Y538 VanDerWaalsContact NZ-OH 3.08Å; V535-Y538 WeakPolarHBondContact O-CB 3.39Å; V535-Y538 PolarHBondContact O-N 2.91Å; Y538-L542 VanDerWaalsContact O-CB 3.29Å; Y538-L542 WeakPolarHBondContact O-CB 3.33Å; Y538-L542 PolarHBondContact O-N 2.89Å
539	H	87.7	Confident	89.1	Confident	108 Å²	108	29.2 Å²	29.2	50%	0.5	15%	0.15	S	C	.	.	H	α-helix	trans	-73.5	-42.9	-175.9	-172	80.3	0	0	0	111.8	Y537 L542 Q543	Y537-H539 VanDerWaalsContact C-N 3.27Å; Y537-H539 PolarHBondContact O-N 2.78Å; H539-L542 WeakPolarHBondContact O-CB 3.42Å; H539-L542 PolarHBondContact O-N 3.01Å; H539-Q543 PolarHBondContact CD2-NE2 2.86Å; H539-Q543 PolarHBondContact NE2-NE2 2.82Å; H539-Q543 WeakPolarHBondContact O-CG 3.06Å; H539-Q543 PolarHBondContact O-N 3Å
540	E	87.1	Confident	89.1	Confident	21 Å²	21	34 Å²	34	10%	0.098	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-43.1	178.4	-60.5	79.9	177.9	0	0	110.6	T261 L453 R455 L486 Y537 Q543 L544	T261-E540 HydrophobicContact CG2-CB 3.66Å; L453-E540 HydrophobicContact CD2-CG 4.27Å; R455-E540 IonicContact CZ-OE1 3.38Å; R455-E540 IonicContact NH2-OE1 3.29Å; R455-E540 PolarHBondContact NH2-OE1 3.15Å; R455-E540 IonicContact NH2-OE2 3.6Å; L486-E540 HydrophobicContact CD2-CB 4.2Å; Y537-E540 VanDerWaalsContact C-OE2 3.28Å; Y537-E540 VanDerWaalsContact CA-OE2 3.31Å; Y537-E540 WeakPolarHBondContact CA-OE2 3.45Å; Y537-E540 PolarHBondContact O-N 3.07Å; E540-Q543 PolarHBondContact O-N 2.94Å; E540-L544 WeakPolarHBondContact O-CG 3.34Å; E540-L544 PolarHBondContact O-N 3.4Å
541	N	90	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-41.2	172.2	-70.9	-10.4	0	0	0	111.5	Y184 T531 S532 Y537 L544 L545	Y184-N541 PolarHBondContact OH-ND2 2.82Å; T531-N541 VanDerWaalsContact CB-OD1 3.28Å; T531-N541 WeakPolarHBondContact CB-OD1 3.09Å; T531-N541 WeakPolarHBondContact CG2-OD1 3.41Å; S532-N541 PolarHBondContact O-ND2 2.58Å; Y537-N541 WeakPolarHBondContact O-CB 3.21Å; Y537-N541 PolarHBondContact O-N 2.91Å; Y537-N541 PolarHBondContact O-ND2 3.28Å; N541-L544 PolarHBondContact O-N 2.63Å; N541-L545 WeakPolarHBondContact O-CB 3.25Å; N541-L545 VanDerWaalsContact O-CG 3.24Å; N541-L545 WeakPolarHBondContact O-CG 3.36Å; N541-L545 PolarHBondContact O-N 3.25Å
542	L	91.4	Very high	89.1	Confident	21 Å²	21	35.3 Å²	35.3	11%	0.11	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-42.4	174.2	177.4	61	0	0	0	111.8	L196 K219 F221 Y538 H539 Q546	L196-L542 HydrophobicContact CD2-CB 3.89Å; L196-L542 HydrophobicContact CD2-CD1 3.8Å; L196-L542 HydrophobicContact CD2-CG 4.39Å; K219-L542 HydrophobicContact CD-CD1 3.81Å; F221-L542 HydrophobicContact CZ-CD1 4.01Å; Y538-L542 VanDerWaalsContact O-CB 3.29Å; Y538-L542 WeakPolarHBondContact O-CB 3.33Å; Y538-L542 PolarHBondContact O-N 2.89Å; H539-L542 WeakPolarHBondContact O-CB 3.42Å; H539-L542 PolarHBondContact O-N 3.01Å; L542-Q546 HydrophobicContact CD1-CG 4.1Å; L542-Q546 VanDerWaalsContact O-CB 3.31Å; L542-Q546 WeakPolarHBondContact O-CB 3.29Å; L542-Q546 VanDerWaalsContact O-CG 3.23Å; L542-Q546 WeakPolarHBondContact O-CG 3.2Å; L542-Q546 PolarHBondContact O-N 3.1Å
543	Q	91.1	Very high	89	Confident	49 Å²	49	42 Å²	42	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-47.5	174.7	-70	-177	22.1	0	0	111.5	S487 H539 E540 Q546 F547	S487-Q543 PolarHBondContact OG-OE1 3.01Å; H539-Q543 PolarHBondContact CD2-NE2 2.86Å; H539-Q543 PolarHBondContact NE2-NE2 2.82Å; H539-Q543 WeakPolarHBondContact O-CG 3.06Å; H539-Q543 PolarHBondContact O-N 3Å; E540-Q543 PolarHBondContact O-N 2.94Å; Q543-Q546 PolarHBondContact O-N 3.44Å; Q543-F547 WeakPolarHBondContact O-CB 3.23Å; Q543-F547 PolarHBondContact O-N 3.46Å
544	L	92.4	Very high	88.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-46.3	179.7	-74.2	170.7	0	0	0	112.9	F259 T261 L486 T490 I529 T531 E540 N541 F547 A548	F259-L544 HydrophobicContact CD2-CD2 3.79Å; F259-L544 HydrophobicContact CE2-CD2 3.66Å; T261-L544 HydrophobicContact CG2-CD1 3.85Å; L486-L544 HydrophobicContact CD1-CD2 4.07Å; L486-L544 HydrophobicContact CD2-CD1 4.24Å; L486-L544 HydrophobicContact CD2-CD2 4.31Å; L486-L544 HydrophobicContact CD2-CG 4.06Å; L486-L544 HydrophobicContact CG-CD2 4.32Å; T490-L544 HydrophobicContact CG2-CD2 4.22Å; I529-L544 HydrophobicContact CG2-CB 3.95Å; I529-L544 HydrophobicContact CG2-CD1 4.03Å; I529-L544 HydrophobicContact CG2-CD2 4.15Å; I529-L544 HydrophobicContact CG2-CG 4.27Å; T531-L544 HydrophobicContact CG2-CD1 3.69Å; E540-L544 WeakPolarHBondContact O-CG 3.34Å; E540-L544 PolarHBondContact O-N 3.4Å; N541-L544 PolarHBondContact O-N 2.63Å; L544-F547 WeakPolarHBondContact O-CB 3.36Å; L544-F547 PolarHBondContact O-N 2.91Å; L544-A548 PolarHBondContact O-N 3.47Å
545	L	93.4	Very high	88.3	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-36.8	178.4	-68.8	169.6	0	0	0	112	L166 V194 L196 F221 M223 N541 A548 S549	L166-L545 HydrophobicContact CD2-CD2 4.09Å; V194-L545 HydrophobicContact CG1-CD1 4.15Å; L196-L545 HydrophobicContact CB-CD1 4.49Å; L196-L545 HydrophobicContact CD1-CD1 3.88Å; L196-L545 HydrophobicContact CD2-CD1 4.32Å; L196-L545 HydrophobicContact CG-CD1 4.48Å; F221-L545 HydrophobicContact CB-CB 4.46Å; F221-L545 HydrophobicContact CB-CD2 4.28Å; F221-L545 HydrophobicContact CD1-CB 3.77Å; F221-L545 VanDerWaalsContact CD1-O 3.29Å; F221-L545 WeakPolarHBondContact CD1-O 3.37Å; F221-L545 HydrophobicContact CD2-CB 3.84Å; F221-L545 HydrophobicContact CD2-CD1 3.95Å; F221-L545 HydrophobicContact CD2-CG 4.34Å; F221-L545 HydrophobicContact CE1-CB 3.83Å; F221-L545 HydrophobicContact CE2-CB 3.88Å; F221-L545 HydrophobicContact CE2-CD1 4.09Å; F221-L545 HydrophobicContact CG-CB 3.78Å; F221-L545 HydrophobicContact CG-CD2 4.43Å; F221-L545 HydrophobicContact CG-CG 4.48Å; F221-L545 HydrophobicContact CZ-CB 3.88Å; M223-L545 HydrophobicContact CE-CD2 3.66Å; N541-L545 WeakPolarHBondContact O-CB 3.25Å; N541-L545 VanDerWaalsContact O-CG 3.24Å; N541-L545 WeakPolarHBondContact O-CG 3.36Å; N541-L545 PolarHBondContact O-N 3.25Å; L545-A548 PolarHBondContact O-N 2.88Å; L545-S549 WeakPolarHBondContact O-CB 3.4Å; L545-S549 PolarHBondContact O-N 2.96Å
546	Q	93.8	Very high	87.3	Confident	82 Å²	82	46.7 Å²	46.7	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-64.8	-41.2	171	-76.3	-177.6	10	0	0	112.3	F221 L542 Q543 S549 K550	F221-Q546 HydrophobicContact CE1-CG 4.15Å; F221-Q546 HydrophobicContact CZ-CG 4.35Å; L542-Q546 HydrophobicContact CD1-CG 4.1Å; L542-Q546 VanDerWaalsContact O-CB 3.31Å; L542-Q546 WeakPolarHBondContact O-CB 3.29Å; L542-Q546 VanDerWaalsContact O-CG 3.23Å; L542-Q546 WeakPolarHBondContact O-CG 3.2Å; L542-Q546 PolarHBondContact O-N 3.1Å; Q543-Q546 PolarHBondContact O-N 3.44Å; Q546-S549 WeakPolarHBondContact O-CB 3.33Å; Q546-S549 PolarHBondContact O-N 3.16Å; Q546-K550 WeakPolarHBondContact O-CG 3.24Å; Q546-K550 PolarHBondContact O-N 3.12Å
547	F	93.5	Very high	85.9	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-46.7	174.2	157	-96.2	0	0	0	111.8	F259 T490 V493 L494 I527 I529 Q543 L544 S549 K550 I551	F259-F547 HydrophobicContact CE2-CD1 4.39Å; F259-F547 AromaticContact CE2-CE1 3.98Å; F259-F547 HydrophobicContact CE2-CE1 3.98Å; F259-F547 HydrophobicContact CZ-CD1 4.33Å; F259-F547 AromaticContact CZ-CE1 3.5Å; F259-F547 HydrophobicContact CZ-CE1 3.5Å; F259-F547 VanDerWaalsContact CZ-CE1 3.5Å; F259-F547 AromaticContact CZ-CZ 3.74Å; F259-F547 HydrophobicContact CZ-CZ 3.74Å; T490-F547 VanDerWaalsContact CB-CD2 3.47Å; T490-F547 HydrophobicContact CG2-CB 4.08Å; T490-F547 HydrophobicContact CG2-CD1 3.94Å; T490-F547 HydrophobicContact CG2-CD2 3.87Å; T490-F547 HydrophobicContact CG2-CE1 4.33Å; T490-F547 HydrophobicContact CG2-CE2 4.23Å; T490-F547 HydrophobicContact CG2-CG 3.68Å; T490-F547 HydrophobicContact CG2-CZ 4.43Å; T490-F547 WeakPolarHBondContact O-CD2 3.39Å; T490-F547 WeakPolarHBondContact O-CE2 3.36Å; V493-F547 HydrophobicContact CB-CE2 4.33Å; V493-F547 HydrophobicContact CB-CZ 4.3Å; V493-F547 HydrophobicContact CG1-CE2 4.24Å; V493-F547 HydrophobicContact CG1-CZ 3.85Å; L494-F547 HydrophobicContact CB-CD2 4.34Å; L494-F547 HydrophobicContact CB-CE2 4.08Å; I527-F547 HydrophobicContact CD1-CE1 4.15Å; I527-F547 HydrophobicContact CD1-CZ 3.87Å; I529-F547 HydrophobicContact CD1-CD1 4.1Å; I529-F547 HydrophobicContact CD1-CE1 4.18Å; Q543-F547 WeakPolarHBondContact O-CB 3.23Å; Q543-F547 PolarHBondContact O-N 3.46Å; L544-F547 WeakPolarHBondContact O-CB 3.36Å; L544-F547 PolarHBondContact O-N 2.91Å; F547-S549 VanDerWaalsContact C-N 3.31Å; F547-S549 PolarHBondContact O-N 2.64Å; F547-K550 WeakPolarHBondContact O-CB 3.1Å; F547-K550 PolarHBondContact O-N 2.75Å; F547-K550 VanDerWaalsContact O-N 3.07Å; F547-I551 HydrophobicContact CD2-CD1 4.3Å; F547-I551 HydrophobicContact CE1-CD1 3.87Å; F547-I551 HydrophobicContact CE2-CD1 3.54Å; F547-I551 HydrophobicContact CE2-CG1 4.24Å; F547-I551 HydrophobicContact CZ-CD1 3.29Å; F547-I551 HydrophobicContact CZ-CG1 4.39Å; F547-I551 PolarHBondContact O-N 3.18Å; F547-I551 VanDerWaalsContact O-N 3.1Å
548	A	93.4	Very high	84.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-45.3	174.2	0	0	0	0	0	111.5	I164 M223 I529 L544 L545 K550 I551 Q552	I164-A548 HydrophobicContact CD1-CB 4.43Å; I164-A548 WeakPolarHBondContact CD1-O 3.19Å; I164-A548 HydrophobicContact CG2-CB 4.08Å; M223-A548 HydrophobicContact CE-CB 3.79Å; M223-A548 HydrophobicContact SD-CB 3.77Å; I529-A548 HydrophobicContact CD1-CB 3.82Å; L544-A548 PolarHBondContact O-N 3.47Å; L545-A548 PolarHBondContact O-N 2.88Å; A548-K550 PolarHBondContact O-N 3.25Å; A548-I551 PolarHBondContact O-N 2.98Å; A548-Q552 WeakPolarHBondContact O-CB 3.37Å; A548-Q552 PolarHBondContact O-N 2.87Å
549	S	92.3	Very high	82.3	Confident	30 Å²	30	55.8 Å²	55.8	21%	0.21	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-36.7	174	167.9	0	0	0	0	113.6	L545 Q546 F547 Q552 R553	L545-S549 WeakPolarHBondContact O-CB 3.4Å; L545-S549 PolarHBondContact O-N 2.96Å; Q546-S549 WeakPolarHBondContact O-CB 3.33Å; Q546-S549 PolarHBondContact O-N 3.16Å; F547-S549 VanDerWaalsContact C-N 3.31Å; F547-S549 PolarHBondContact O-N 2.64Å; S549-Q552 PolarHBondContact O-N 2.92Å; S549-R553 WeakPolarHBondContact O-CB 3.37Å; S549-R553 WeakPolarHBondContact O-CG 3.45Å; S549-R553 PolarHBondContact O-N 2.88Å; S549-R553 PolarHBondContact O-NE 2.77Å; S549-R553 VanDerWaalsContact O-NE 3.08Å; S549-R553 PolarHBondContact OG-NE 2.86Å; S549-R553 PolarHBondContact OG-NH2 3.47Å
550	K	92.3	Very high	80	Confident	101 Å²	101	58 Å²	58	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-46.3	174.9	-72.6	167.9	-175.5	175	0	110.9	L494 Q546 F547 A548 R553 S554	L494-K550 HydrophobicContact CD1-CB 4.31Å; L494-K550 HydrophobicContact CD2-CB 4.05Å; L494-K550 HydrophobicContact CD2-CD 3.96Å; Q546-K550 WeakPolarHBondContact O-CG 3.24Å; Q546-K550 PolarHBondContact O-N 3.12Å; F547-K550 WeakPolarHBondContact O-CB 3.1Å; F547-K550 PolarHBondContact O-N 2.75Å; F547-K550 VanDerWaalsContact O-N 3.07Å; A548-K550 PolarHBondContact O-N 3.25Å; K550-R553 PolarHBondContact O-N 2.91Å; K550-S554 PolarHBondContact O-N 3.29Å; K550-S554 VanDerWaalsContact O-N 3.09Å
551	I	90.7	Very high	77.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-44.7	174.9	-61.6	175	0	0	0	110.6	V162 I164 L494 I497 I527 F547 A548 R553 S554 R555	V162-I551 HydrophobicContact CB-CG2 4.47Å; V162-I551 HydrophobicContact CG1-CG2 4.45Å; I164-I551 HydrophobicContact CD1-CB 3.75Å; I164-I551 HydrophobicContact CD1-CG2 3.75Å; I164-I551 HydrophobicContact CG1-CG2 4.42Å; L494-I551 HydrophobicContact CD1-CG1 3.67Å; I497-I551 HydrophobicContact CD1-CD1 3.71Å; I497-I551 HydrophobicContact CG2-CG2 4.31Å; I527-I551 HydrophobicContact CD1-CD1 3.64Å; F547-I551 HydrophobicContact CD2-CD1 4.3Å; F547-I551 HydrophobicContact CE1-CD1 3.87Å; F547-I551 HydrophobicContact CE2-CD1 3.54Å; F547-I551 HydrophobicContact CE2-CG1 4.24Å; F547-I551 HydrophobicContact CZ-CD1 3.29Å; F547-I551 HydrophobicContact CZ-CG1 4.39Å; F547-I551 PolarHBondContact O-N 3.18Å; F547-I551 VanDerWaalsContact O-N 3.1Å; A548-I551 PolarHBondContact O-N 2.98Å; I551-R553 PolarHBondContact O-N 2.86Å; I551-S554 PolarHBondContact O-N 3.09Å; I551-S554 VanDerWaalsContact O-N 3.14Å; I551-S554 PolarHBondContact O-OG 2.66Å; I551-R555 HydrophobicContact CG2-CG 4.39Å; I551-R555 WeakPolarHBondContact O-CD 3.32Å; I551-R555 WeakPolarHBondContact O-CG 3.32Å; I551-R555 PolarHBondContact O-N 2.87Å; I551-R555 VanDerWaalsContact O-N 3.07Å
552	Q	87.3	Confident	75	Confident	29 Å²	29	75.9 Å²	75.9	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-32.1	-179.2	-147.7	-152.3	56.2	0	0	112.5	A222 A548 S549	A222-Q552 PolarHBondContact O-NE2 2.83Å; A548-Q552 WeakPolarHBondContact O-CB 3.37Å; A548-Q552 PolarHBondContact O-N 2.87Å; S549-Q552 PolarHBondContact O-N 2.92Å
553	R	84.5	Confident	72.2	Confident	142 Å²	142	80.3 Å²	80.3	54%	0.536	36%	0.362	S	S	.	.	H	α-helix	trans	-73.6	-44.7	172.4	-76.4	177.1	-78.9	160.7	-9.7	113.1	S549 K550 I551 R555 R556 H557	S549-R553 WeakPolarHBondContact O-CB 3.37Å; S549-R553 WeakPolarHBondContact O-CG 3.45Å; S549-R553 PolarHBondContact O-N 2.88Å; S549-R553 PolarHBondContact O-NE 2.77Å; S549-R553 VanDerWaalsContact O-NE 3.08Å; S549-R553 PolarHBondContact OG-NE 2.86Å; S549-R553 PolarHBondContact OG-NH2 3.47Å; K550-R553 PolarHBondContact O-N 2.91Å; I551-R553 PolarHBondContact O-N 2.86Å; R553-R555 PolarHBondContact O-N 2.95Å; R553-R556 PolarHBondContact O-N 2.79Å; R553-H557 PolarHBondContact O-N 2.81Å
554	S	79.9	Confident	69.4	Low	26 Å²	26	85.8 Å²	85.8	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-28.6	-179.9	80.8	0	0	0	0	113	N498 K550 I551 R556	N498-S554 PolarHBondContact OD1-OG 2.6Å; K550-S554 PolarHBondContact O-N 3.29Å; K550-S554 VanDerWaalsContact O-N 3.09Å; I551-S554 PolarHBondContact O-N 3.09Å; I551-S554 VanDerWaalsContact O-N 3.14Å; I551-S554 PolarHBondContact O-OG 2.66Å; S554-R556 PolarHBondContact O-N 2.96Å
555	R	73.5	Confident	66.4	Low	39 Å²	39	93 Å²	93	15%	0.147	44%	0.436	C	S	.	.	H	α-helix	trans	-56.7	-44.7	169.4	-66.7	160.2	113.8	-141	1.6	112.6	S160 V162 D224 I551 R553	S160-R555 VanDerWaalsContact CB-NE 3.27Å; S160-R555 PolarHBondContact OG-NE 3.26Å; S160-R555 PolarHBondContact OG-NH2 2.74Å; S160-R555 VanDerWaalsContact OG-NH2 3.09Å; V162-R555 PolarHBondContact O-NE 2.77Å; V162-R555 PolarHBondContact O-NH2 3.02Å; D224-R555 VanDerWaalsContact CG-NH2 3.33Å; D224-R555 IonicContact OD1-CZ 2.77Å; D224-R555 IonicContact OD1-NH1 3.84Å; D224-R555 PolarHBondContact OD1-NH1 3.4Å; D224-R555 IonicContact OD1-NH2 3.68Å; D224-R555 PolarHBondContact OD1-NH2 3.02Å; D224-R555 IonicContact OD2-CZ 2.78Å; D224-R555 IonicContact OD2-NH1 3.37Å; D224-R555 PolarHBondContact OD2-NH1 2.92Å; D224-R555 IonicContact OD2-NH2 3.23Å; D224-R555 PolarHBondContact OD2-NH2 3.44Å; I551-R555 HydrophobicContact CG2-CG 4.39Å; I551-R555 WeakPolarHBondContact O-CD 3.32Å; I551-R555 WeakPolarHBondContact O-CG 3.32Å; I551-R555 PolarHBondContact O-N 2.87Å; I551-R555 VanDerWaalsContact O-N 3.07Å; R553-R555 PolarHBondContact O-N 2.95Å
556	R	63	Low	63.3	Low	161 Å²	161	96.2 Å²	96.2	61%	0.608	47%	0.47	S	S	*	.	H	α-helix	trans	-66.2	-47.4	-176.9	-60.8	-178.7	-166.1	-171.8	4.1	111.2	R553 S554 R558 T559	R553-R556 PolarHBondContact O-N 2.79Å; S554-R556 PolarHBondContact O-N 2.96Å; R556-R558 VanDerWaalsContact C-N 3.28Å; R556-R558 PolarHBondContact O-N 2.89Å; R556-T559 PolarHBondContact O-N 2.94Å; R556-T559 PolarHBondContact O-OG1 3.39Å
557	H	55.9	Low	60.1	Low	158 Å²	158	97.9 Å²	97.9	73%	0.731	49%	0.49	S	S	*	.	H	α-helix	trans	-59.2	-36.9	-174.2	-143.5	-63.2	0	0	0	113.3	R553 T559 H560	R553-H557 PolarHBondContact O-N 2.81Å; H557-T559 PolarHBondContact O-N 2.76Å; H557-T559 VanDerWaalsContact O-N 3.16Å; H557-H560 PolarHBondContact O-N 2.92Å
558	R	51.8	Low	57	Low	120 Å²	120	104.3 Å²	104.3	45%	0.453	53%	0.531	S	S	.	.	H	α-helix	trans	-65.4	-10.5	176.3	-74.5	173.6	165.3	169.1	-8.5	114.6	I497 N498 R556	I497-R558 PolarHBondContact O-NH1 2.88Å; I497-R558 PolarHBondContact O-NH2 2.88Å; N498-R558 PolarHBondContact O-NH2 2.98Å; R556-R558 VanDerWaalsContact C-N 3.28Å; R556-R558 PolarHBondContact O-N 2.89Å
559	T	43.5	Very low	54	Low	76 Å²	76	109 Å²	109	47%	0.466	56%	0.563	S	S	.	*	H	α-helix	trans	-95.5	-19.9	-179.8	66.6	0	0	0	0	114.3	R556 H557	R556-T559 PolarHBondContact O-N 2.94Å; R556-T559 PolarHBondContact O-OG1 3.39Å; H557-T559 PolarHBondContact O-N 2.76Å; H557-T559 VanDerWaalsContact O-N 3.16Å
560	H	40.4	Very low	50.9	Low	155 Å²	155	114.8 Å²	114.8	72%	0.718	59%	0.592	S	S	*	*	H	α-helix	trans	-82.7	-29.8	-176.4	-146.2	-82.7	0	0	0	112.8	H557 R562 T563	H557-H560 PolarHBondContact O-N 2.92Å; H560-R562 PolarHBondContact O-N 2.89Å; H560-T563 PolarHBondContact O-N 3.46Å
561	E	37.8	Very low	48	Very low	157 Å²	157	117.9 Å²	117.9	73%	0.734	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	15.9	-177.5	-149.7	-169.4	161.7	0	0	114.6
562	R	33.8	Very low	45.3	Very low	239 Å²	239	122.4 Å²	122.4	90%	0.902	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	2.3	178.1	-90.4	-174.1	172.4	-177.3	-2.2	115.4	H560	H560-R562 PolarHBondContact O-N 2.89Å
563	T	32	Very low	42.6	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.693	67%	0.674	S	S	*	*			trans	-118.4	60.4	178.8	-41.9	0	0	0	0	110.8	H560	H560-T563 PolarHBondContact O-N 3.46Å
564	L	31.4	Very low	40.2	Very low	165 Å²	165	128.3 Å²	128.3	86%	0.864	68%	0.682	S	S	*	*			trans	-137.3	57.6	172.9	-147.8	82.9	0	0	0	112.2
565	V	30.6	Very low	37.7	Very low	152 Å²	152	134.5 Å²	134.5	92%	0.921	71%	0.712	S	S	*	*	S	Bend	trans	-136.2	115.3	163.9	179.4	0	0	0	0	106.7
566	G	27.9	Very low	35.8	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	74%	0.741	S	S	*	*	S	Bend	trans	107	28.6	172.4	0	0	0	0	0	118.1
567	S	26	Very low	34.3	Very low	116 Å²	116	139.2 Å²	139.2	81%	0.811	75%	0.752	S	S	*	*			trans	-117	60.8	163.7	-62.9	0	0	0	0	111.6	S569	S567-S569 PolarHBondContact O-N 2.82Å
568	T	29.3	Very low	33.2	Very low	142 Å²	142	136.7 Å²	136.7	87%	0.871	75%	0.748	S	S	*	*			trans	-84	98	160.8	46.5	0	0	0	0	108.3
569	S	29.4	Very low	32.1	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	76%	0.761	S	S	*	*			trans	-64.9	166.4	172	-55.8	0	0	0	0	112.2	S567	S567-S569 PolarHBondContact O-N 2.82Å
570	N	28.9	Very low	31.7	Very low	152 Å²	152	140 Å²	140	81%	0.813	77%	0.772	S	S	*	*			trans	113.5	97.8	155.2	-54.9	-5	0	0	0	116.5
571	N	31.5	Very low	31.2	Very low	165 Å²	165	139.8 Å²	139.8	88%	0.882	77%	0.771	S	S	*	*			trans	-91.5	150.7	130.2	-70.8	-1.1	0	0	0	106.4
572	S	33.8	Very low	30.6	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	77%	0.771	S	S	*	*			cis	-152.3	-179.1	-8.5	55.9	0	0	0	0	107
573	E	29.5	Very low	30.3	Very low	160 Å²	160	134.1 Å²	134.1	75%	0.748	77%	0.769	S	S	*	*			cis	-167.4	179.6	14.2	-141.5	150.8	170.4	0	0	111.2
574	I	33.9	Very low	30.1	Very low	136 Å²	136	133.9 Å²	133.9	70%	0.697	77%	0.771	S	S	*	*			trans	70.3	107.7	155.9	-65.5	158.4	0	0	0	119.1
575	N	27.6	Very low	29.9	Very low	155 Å²	155	130 Å²	130	83%	0.829	76%	0.758	S	S	*	*			trans	56.3	145.7	141.1	-57.6	-13.1	0	0	0	120.9
576	S	33.4	Very low	29.7	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	75%	0.752	S	S	*	*			cis	-150.7	167.7	15.1	61.1	0	0	0	0	114.6
577	K	32.2	Very low	29.6	Very low	192 Å²	192	134.4 Å²	134.4	84%	0.835	76%	0.755	S	S	*	*			trans	8.3	145.7	140.7	-81.4	-171.4	176.7	-172.5	0	119.8
578	V	32	Very low	29.6	Very low	105 Å²	105	134 Å²	134	64%	0.636	75%	0.752	S	S	*	*			cis	-169.9	156.3	-4.7	84.9	0	0	0	0	109.8
579	D	30.4	Very low	29.5	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	75%	0.746	S	S	*	*			trans	53.9	162.1	162.4	-48.7	-27.5	0	0	0	119.3
580	D	33.4	Very low	29.5	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	75%	0.754	S	S	*	*			cis	-148.7	-169.8	-9.9	-142.3	-27.6	0	0	0	113.4
581	Q	31.1	Very low	29.4	Very low	150 Å²	150	132 Å²	132	70%	0.701	75%	0.754	S	S	*	*			trans	-51.8	145.9	-169.1	-71	149.4	78.4	0	0	122.4
582	N	25.1	Very low	29.2	Very low	138 Å²	138	128.7 Å²	128.7	74%	0.738	74%	0.736	S	S	*	*			trans	25	129.5	138.1	-55.5	-38.5	0	0	0	122.4
583	T	27.3	Very low	29	Very low	139 Å²	139	129.4 Å²	129.4	85%	0.853	74%	0.741	S	S	*	*				173.2	174.2	108.3	35.1	0	0	0	0	114.3
584	S	26.8	Very low	28.9	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	74%	0.743	S	S	*	*			trans	-42.3	167	176.2	29.1	0	0	0	0	119.3
585	S	27.8	Very low	28.6	Very low	85 Å²	85	126.9 Å²	126.9	59%	0.594	74%	0.741	S	S	*	*			cis	-164.6	-177.6	-4.3	43.4	0	0	0	0	111.2
586	E	26.4	Very low	28.7	Very low	169 Å²	169	127.5 Å²	127.5	79%	0.79	74%	0.744	S	S	*	*			trans	69.4	149.1	154.9	-79.4	147.4	-106.9	0	0	119.5
587	D	26.1	Very low	28.4	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	75%	0.746	S	S	*	*			cis	-159.3	176.8	-17.8	-151.6	2	0	0	0	112.6
588	S	25.9	Very low	28.1	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	75%	0.751	S	S	*	*			trans	74.8	153	164.8	88.6	0	0	0	0	118.4
589	S	28.1	Very low	27.9	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	76%	0.764	S	S	*	*			cis	-158.7	166	-1.3	57.4	0	0	0	0	113.3
590	S	28.9	Very low	27.9	Very low	121 Å²	121	132.4 Å²	132.4	85%	0.846	77%	0.765	S	S	*	*			trans	70.3	126.2	154.1	-156.1	0	0	0	0	121.7
591	C	25.7	Very low	27.6	Very low	121 Å²	121	137.7 Å²	137.7	82%	0.818	78%	0.775	S	S	*	*			trans	-165.3	162.9	167.4	65.1	0	0	0	0	109
592	D	27.9	Very low	27.5	Very low	97 Å²	97	139.1 Å²	139.1	52%	0.519	79%	0.787	S	S	.	*			cis	-150.3	177.9	1.2	-169.6	-130.2	0	0	0	109.6	F594	D592-F594 HydrophobicContact CB-CD1 4.22Å; D592-F594 HydrophobicContact CB-CE1 3.82Å; D592-F594 HydrophobicContact CB-CZ 4.11Å; D592-F594 VanDerWaalsContact OD1-CD1 3.25Å; D592-F594 WeakPolarHBondContact OD1-CD1 3.42Å
593	S	30	Very low	27.7	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	79%	0.787	S	S	*	*			trans	-149.1	134.5	151.1	-85	0	0	0	0	111.8	G595	S593-G595 PolarHBondContact O-N 3.15Å
594	F	27.4	Very low	28	Very low	178 Å²	178	143.9 Å²	143.9	78%	0.781	79%	0.791	S	S	*	*				-94.2	103.6	-120.7	-68.4	-83.9	0	0	0	116.2	D592	D592-F594 HydrophobicContact CB-CD1 4.22Å; D592-F594 HydrophobicContact CB-CE1 3.82Å; D592-F594 HydrophobicContact CB-CZ 4.11Å; D592-F594 VanDerWaalsContact OD1-CD1 3.25Å; D592-F594 WeakPolarHBondContact OD1-CD1 3.42Å
595	G	28.1	Very low	28.1	Very low	64 Å²	64	144 Å²	144	66%	0.66	78%	0.784	S	S	*	*			trans	-85	115.9	169.6	0	0	0	0	0	113	S593 R597	S593-G595 PolarHBondContact O-N 3.15Å; G595-R597 PolarHBondContact O-N 3.31Å
596	L	28.2	Very low	28.3	Very low	169 Å²	169	149.3 Å²	149.3	89%	0.885	80%	0.801	S	S	*	*			trans	-71.5	69.7	173.7	-83.1	170.3	0	0	0	113.2
597	R	26.9	Very low	28.4	Very low	213 Å²	213	144.2 Å²	144.2	80%	0.804	79%	0.794	S	S	*	*	S	Bend	trans	-130.4	90.2	162.4	-74.6	-165.2	-177.8	-150	4.6	110.8	G595	G595-R597 PolarHBondContact O-N 3.31Å
598	R	26.9	Very low	28.5	Very low	249 Å²	249	145.9 Å²	145.9	94%	0.94	80%	0.802	S	S	*	*			trans	60.8	104.3	164.9	-66.6	178.5	170	166.9	-2.9	118.1
599	A	27.7	Very low	28.5	Very low	110 Å²	110	151.7 Å²	151.7	91%	0.909	81%	0.808	S	S	*	*			trans	-119.7	149	131.8	0	0	0	0	0	108.5
600	G	30.4	Very low	28.5	Very low	72 Å²	72	154.2 Å²	154.2	74%	0.742	81%	0.812	S	S	*	*			cis	-161.6	146	-11.1	0	0	0	0	0	110.9	L602	G600-L602 PolarHBondContact O-N 3.48Å
601	R	26.6	Very low	28.5	Very low	241 Å²	241	153.2 Å²	153.2	91%	0.909	81%	0.811	S	S	*	*			trans	-87.1	96.7	163.7	-94.6	-174.5	168.1	-178.2	-3.7	107.9
602	L	29.6	Very low	28.5	Very low	180 Å²	180	154.8 Å²	154.8	94%	0.942	81%	0.808	S	S	*	*			trans	-69.9	133.1	157.5	-72.8	176.7	0	0	0	108.5	G600	G600-L602 PolarHBondContact O-N 3.48Å
603	R	30	Very low	28.6	Very low	196 Å²	196	160.2 Å²	160.2	74%	0.74	83%	0.827	S	S	*	*			trans	-135	78.2	-175.4	-169.2	-172.5	-173.3	165.6	4	109.9	N605	R603-N605 HydrophobicContact CG-CB 4.31Å
604	L	32	Very low	28.2	Very low	180 Å²	180	165.3 Å²	165.3	94%	0.942	83%	0.83	S	S	*	*			trans	-66.8	130.3	160.6	-66.1	177.2	0	0	0	108.2
605	N	30.4	Very low	28.3	Very low	111 Å²	111	161.9 Å²	161.9	59%	0.594	83%	0.828	S	S	*	*			trans	-151.9	64.7	-170.2	-159.5	110	0	0	0	112.2	R603	R603-N605 HydrophobicContact CG-CB 4.31Å
606	M	31.4	Very low	28.2	Very low	195 Å²	195	166.8 Å²	166.8	96%	0.961	84%	0.839	S	S	*	*			trans	-130.4	127	163.4	-69.8	-71	-85.8	0	0	107.5
607	G	29.1	Very low	28.2	Very low	63 Å²	63	162.1 Å²	162.1	65%	0.649	83%	0.831	S	S	*	*			cis	175.1	133.3	-12.9	0	0	0	0	0	111.6
608	L	27	Very low	28.3	Very low	180 Å²	180	162.3 Å²	162.3	94%	0.942	83%	0.834	S	S	*	*			trans	-149	145.6	152.3	-141.2	85.3	0	0	0	108.9
609	R	27.2	Very low	28.2	Very low	228 Å²	228	159.1 Å²	159.1	86%	0.86	83%	0.827	S	S	*	*			trans	-144.9	161.4	-176	-152.9	179.3	-169.9	-176.6	2.7	107.2
610	L	27.4	Very low	28.1	Very low	161 Å²	161	157.1 Å²	157.1	84%	0.843	82%	0.816	S	S	*	*			trans	70.2	152.4	-166.5	-62.8	72.8	0	0	0	111.9
611	A	29.2	Very low	28.1	Very low	100 Å²	100	163.3 Å²	163.3	83%	0.826	82%	0.823	S	S	*	*			cis	-99	142.8	0.5	0	0	0	0	0	113.5
612	M	25.3	Very low	28	Very low	154 Å²	154	156.5 Å²	156.5	76%	0.759	81%	0.813	S	S	*	*			trans	-78	144.4	150.8	-73.2	-179.1	168.9	0	0	108.4
613	K	29.1	Very low	28	Very low	211 Å²	211	153 Å²	153	92%	0.917	80%	0.799	S	S	*	*			trans	-123.9	109	147.2	-147.5	170.4	-172.5	178.3	0	108.3
614	R	23.2	Very low	28	Very low	216 Å²	216	151 Å²	151	82%	0.815	80%	0.796	S	S	*	*			trans	-92.8	124.3	177.8	-84.3	173.9	157.5	177.4	-6.9	109.4
615	S	28.5	Very low	27.8	Very low	106 Å²	106	153.6 Å²	153.6	74%	0.741	80%	0.795	S	S	*	*			trans	-170.5	118.9	145.2	45.8	0	0	0	0	106.6
616	N	26.5	Very low	27.6	Very low	168 Å²	168	157.4 Å²	157.4	90%	0.898	80%	0.801	S	S	*	*				56.8	121.7	63.4	-72.1	5.7	0	0	0	112.7
617	G	27.1	Very low	27.5	Very low	70 Å²	70	155 Å²	155	72%	0.722	79%	0.787	S	S	*	*			trans	167.5	67.7	176.1	0	0	0	0	0	114.6
618	Y	28.8	Very low	27.6	Very low	217 Å²	217	162.9 Å²	162.9	85%	0.851	80%	0.798	S	S	*	*			trans	48.6	126.8	150.3	-79	-94.6	0	0	0	120.2
619	K	26.3	Very low	27.5	Very low	183 Å²	183	157 Å²	157	80%	0.796	78%	0.782	S	S	*	*				47.4	99.3	61.8	-68.2	-173.2	176	-176.2	0	112.5
620	G	25.9	Very low	28.1	Very low	67 Å²	67	151.3 Å²	151.3	69%	0.691	77%	0.774	S	S	*	*			cis	121.6	-170.6	49.2	0	0	0	0	0	110.2
621	F	28.5	Very low	28.1	Very low	202 Å²	202	150.1 Å²	150.1	89%	0.886	77%	0.769	S	S	*	*			trans	71.1	127.6	-177	-59.1	-87.4	0	0	0	115.6
622	S	25.6	Very low	28.1	Very low	99 Å²	99	152.3 Å²	152.3	69%	0.692	77%	0.766	S	S	*	*			cis	105.3	158.4	14.3	-169.3	0	0	0	0	114.3
623	T	29.7	Very low	28.3	Very low	106 Å²	106	151.8 Å²	151.8	65%	0.65	77%	0.766	S	S	*	*			trans	76.8	143.1	179.6	73.3	0	0	0	0	115.3
624	K	29.5	Very low	28.1	Very low	155 Å²	155	149 Å²	149	67%	0.674	76%	0.76	S	S	*	*			cis	-162.1	150.4	-5.5	-117.1	162	-158.1	162.8	0	109.5
625	Y	27.6	Very low	28.3	Very low	234 Å²	234	144.4 Å²	144.4	92%	0.918	76%	0.762	S	S	*	*				-141.8	166.8	115.6	-117.1	-84.4	0	0	0	109
626	R	27.4	Very low	28.4	Very low	191 Å²	191	145.1 Å²	145.1	72%	0.721	76%	0.761	S	S	*	*			trans	-149.1	177.3	-162.9	-146.1	-171.3	-168.3	-165.6	2.5	110.5
627	H	29.1	Very low	28.5	Very low	145 Å²	145	143.1 Å²	143.1	67%	0.671	76%	0.757	S	S	*	*			trans	84.4	132.8	177.2	-53.3	-86.5	0	0	0	113.9
628	Y	29.9	Very low	28.5	Very low	227 Å²	227	144 Å²	144	89%	0.89	76%	0.757	S	S	*	*			cis	-118.9	166.7	10	-90.6	-94	0	0	0	115.7
629	G	26.2	Very low	28.5	Very low	58 Å²	58	138.9 Å²	138.9	60%	0.598	75%	0.754	S	S	*	*			trans	-165.2	-157.2	164.8	0	0	0	0	0	106.5
630	P	38.7	Very low	28.4	Very low	108 Å²	108	135.3 Å²	135.3	70%	0.701	75%	0.752	S	S	*	*			cis	-146.1	-162.9	-5.7	45.4	-25.8	0	0	0	114.4
631	D	27.8	Very low	28.5	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	76%	0.757	S	S	*	*			trans	49.6	123.5	146.1	-53.4	-29.7	0	0	0	124.1
632	N	30.1	Very low	28.4	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	75%	0.752	S	S	*	*				163.6	156.6	118.4	-88	-25.7	0	0	0	110.6
633	L	29.8	Very low	28.6	Very low	143 Å²	143	142 Å²	142	75%	0.749	76%	0.759	S	S	*	*			cis	-173.7	155.8	-27.6	-116.7	179.2	0	0	0	105.3
634	L	24.7	Very low	28.5	Very low	152 Å²	152	146.6 Å²	146.6	80%	0.796	77%	0.766	S	S	*	*			trans	-45.2	143.8	176.3	-64.6	150.2	0	0	0	116.8
635	S	27.5	Very low	28.5	Very low	121 Å²	121	145.8 Å²	145.8	85%	0.846	77%	0.774	S	S	*	*				-174.1	167.1	119.8	42.1	0	0	0	0	112.4
636	V	30	Very low	28.5	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	76%	0.758	S	S	*	*			trans	-132.9	144.3	-166.4	174.8	0	0	0	0	110.2	A638	V636-A638 HydrophobicContact CG1-CB 4.14Å
637	P	28.9	Very low	28.5	Very low	127 Å²	127	135.5 Å²	135.5	83%	0.825	77%	0.766	S	S	*	*				-122.8	130.8	129.8	34.5	-28.7	0	0	0	110.1
638	A	26.6	Very low	28.4	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	76%	0.762	S	S	*	*			cis	79.2	70.9	31.8	0	0	0	0	0	115.1	V636	V636-A638 HydrophobicContact CG1-CB 4.14Å
639	S	27.9	Very low	28.5	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	76%	0.764	S	S	*	*			trans	-151.5	148.4	141.2	58.9	0	0	0	0	110.4
640	S	25.4	Very low	28.6	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	78%	0.776	S	S	*	*			trans	-11.5	147.4	165.2	47.5	0	0	0	0	118.8
641	E	27.6	Very low	28.2	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	78%	0.781	S	S	*	*			cis	-144.7	178.1	40.8	-162.8	143.8	-151.7	0	0	115.5
642	K	26.1	Very low	28.5	Very low	177 Å²	177	136.6 Å²	136.6	77%	0.77	78%	0.784	S	S	*	*			trans	-75.4	153	179.7	-51.9	148.2	-174.5	157.6	0	109.7
643	D	30.5	Very low	28.4	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	79%	0.787	S	S	*	*			trans	-152.1	161.5	134.5	-131.8	-30	0	0	0	114
644	Y	27.3	Very low	28.8	Very low	203 Å²	203	136.7 Å²	136.7	80%	0.796	79%	0.79	S	S	*	*			trans	-80.9	133.4	-171.7	-90.8	-112.7	0	0	0	113.7
645	T	29.3	Very low	29	Very low	139 Å²	139	135.9 Å²	135.9	85%	0.853	79%	0.791	S	S	*	*			trans	-101.9	58.8	157.8	50.4	0	0	0	0	111.2	S647	T645-S647 PolarHBondContact O-N 3.07Å; T645-S647 VanDerWaalsContact O-N 3.12Å
646	S	27.9	Very low	29.2	Very low	82 Å²	82	136.3 Å²	136.3	57%	0.573	78%	0.783	S	S	*	*			trans	-62.9	114.7	177.8	-167	0	0	0	0	111	S648	S646-S648 PolarHBondContact O-N 2.96Å; S646-S648 PolarHBondContact OG-OG 2.57Å
647	S	27.4	Very low	29.3	Very low	126 Å²	126	141.6 Å²	141.6	88%	0.881	79%	0.791	S	S	*	*			trans	-88.9	80	178.2	-65.5	0	0	0	0	110.5	T645	T645-S647 PolarHBondContact O-N 3.07Å; T645-S647 VanDerWaalsContact O-N 3.12Å
648	S	27.5	Very low	29.4	Very low	86 Å²	86	143.1 Å²	143.1	60%	0.601	79%	0.791	S	S	*	*			trans	-155.3	62.3	-171.4	60.7	0	0	0	0	115.5	S646	S646-S648 PolarHBondContact O-N 2.96Å; S646-S648 PolarHBondContact OG-OG 2.57Å
649	E	30.8	Very low	29.5	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	79%	0.794	S	S	*	*			trans	-135.1	106.6	156	-74.1	-164.4	163.3	0	0	111.1
650	Q	29.5	Very low	29.5	Very low	184 Å²	184	147.4 Å²	147.4	86%	0.86	80%	0.796	S	S	*	*			trans	-130.8	140.7	156	-75.9	-159.6	15.5	0	0	107.5
651	S	28.7	Very low	29.7	Very low	115 Å²	115	149.7 Å²	149.7	80%	0.804	79%	0.794	S	S	*	*			trans	60.1	155.7	-174.6	55.2	0	0	0	0	113.6
652	C	34.2	Very low	30	Very low	116 Å²	116	144.8 Å²	144.8	78%	0.784	79%	0.79	S	S	*	*			cis	-130.7	163.1	20.4	-58.9	0	0	0	0	113.8
653	D	29.9	Very low	30.1	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.6	148.7	157.2	-70.5	-68.7	0	0	0	110.7	V655	D653-V655 PolarHBondContact O-N 2.62Å
654	T	36.7	Very low	30.1	Very low	132 Å²	132	144.3 Å²	144.3	81%	0.81	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.2	122.7	-175.8	-53.2	0	0	0	0	112.5
655	V	30.3	Very low	30.2	Very low	134 Å²	134	138.4 Å²	138.4	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-96.7	134.6	157.3	-179.9	0	0	0	0	108.5	D653	D653-V655 PolarHBondContact O-N 2.62Å
656	I	31	Very low	30.2	Very low	131 Å²	131	140.1 Å²	140.1	67%	0.672	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.8	139.3	-177.5	-61.6	170	0	0	0	110.2	L658	I656-L658 HydrophobicContact CG2-CG 4.42Å
657	Y	31.2	Very low	30.1	Very low	230 Å²	230	142.6 Å²	142.6	90%	0.902	80%	0.795	S	S	*	*			trans	-135.9	147.2	156.4	-123.2	-92.4	0	0	0	110.7
658	L	30.9	Very low	30.1	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	79%	0.788	S	S	*	*			trans	-110.4	119.1	-168	-76	164.7	0	0	0	112.7	I656	I656-L658 HydrophobicContact CG2-CG 4.42Å
659	G	28.6	Very low	30.1	Very low	76 Å²	76	147.3 Å²	147.3	78%	0.784	79%	0.791	S	S	*	*			trans	75.4	172.2	162.1	0	0	0	0	0	117.1
660	R	28.4	Very low	30.1	Very low	213 Å²	213	145.4 Å²	145.4	80%	0.804	78%	0.782	S	S	*	*			cis	-161.8	138	-2.9	-143.8	-174.3	-175.2	-138.7	17.5	112.1
661	Q	30.4	Very low	30.1	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.724	77%	0.773	S	S	*	*			trans	64.5	152	149.5	-79	162.2	-29.1	0	0	123.2
662	G	33	Very low	30.3	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	77%	0.765	S	S	*	*			trans	120.1	51.5	159.6	0	0	0	0	0	117.6
663	L	28.6	Very low	30.2	Very low	155 Å²	155	142 Å²	142	81%	0.812	75%	0.753	S	S	*	*				69.2	130.5	78.9	-111	175.2	0	0	0	117.3
664	L	30.2	Very low	30.2	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	74%	0.742	S	S	*	*			trans	80.5	143.3	165.7	-54.5	175.9	0	0	0	120.4
665	G	28.8	Very low	29.9	Very low	78 Å²	78	142.8 Å²	142.8	80%	0.804	74%	0.74	S	S	*	*			trans	144.6	114.4	153.2	0	0	0	0	0	117.3
666	H	29.5	Very low	30.1	Very low	176 Å²	176	140.4 Å²	140.4	82%	0.815	73%	0.734	S	S	*	*			trans	-55	134	-176.9	-90.3	-103.3	0	0	0	118.8
667	Q	26.9	Very low	30.1	Very low	134 Å²	134	145 Å²	145	63%	0.626	74%	0.743	S	S	*	*				30.9	139.7	111.9	-146.1	177.9	-3.4	0	0	122.2
668	Y	27.7	Very low	30.2	Very low	187 Å²	187	138.3 Å²	138.3	73%	0.733	73%	0.73	S	S	*	*			trans	85.8	125.4	165.3	-73.7	-66.3	0	0	0	120.3
669	D	27.7	Very low	30.3	Very low	124 Å²	124	141.6 Å²	141.6	66%	0.663	73%	0.731	S	S	*	*			trans	66.2	124.4	142.5	-59.7	-14.2	0	0	0	123.5
670	Q	29.6	Very low	30.3	Very low	156 Å²	156	146.3 Å²	146.3	73%	0.729	74%	0.738	S	S	*	*				28.9	145.5	112.8	-60.2	-159.8	-94.5	0	0	118.6
671	D	29.1	Very low	30.5	Very low	125 Å²	125	140 Å²	140	67%	0.668	74%	0.739	S	S	*	*			cis	-164.8	169.2	9.1	-115.2	18.3	0	0	0	105.7
672	D	32.7	Very low	30.4	Very low	116 Å²	116	142.4 Å²	142.4	62%	0.62	75%	0.747	S	S	*	*			cis	-179.1	-161.2	-13.6	162.5	44.6	0	0	0	103.7
673	N	32	Very low	30.8	Very low	103 Å²	103	143.9 Å²	143.9	55%	0.551	74%	0.744	S	S	*	*			trans	83.9	144.1	153.9	-62.2	-82	0	0	0	116.6
674	Q	31.1	Very low	30.9	Very low	129 Å²	129	142.4 Å²	142.4	60%	0.603	74%	0.742	S	S	*	*			cis	-159	152.8	0.5	-123.5	161.9	48	0	0	107.9
675	K	31	Very low	30.9	Very low	178 Å²	178	140.4 Å²	140.4	77%	0.774	74%	0.742	S	S	*	*				169.7	156.8	66.4	-116.7	147.6	-177.1	124.9	0	104.1
676	A	32.5	Very low	31	Very low	84 Å²	84	140.7 Å²	140.7	69%	0.694	74%	0.744	S	S	*	*			cis	-163.7	-179.8	0.9	0	0	0	0	0	107.2
677	R	33	Very low	31.1	Very low	226 Å²	226	137.4 Å²	137.4	85%	0.853	75%	0.748	S	S	*	*			cis	-164	138.7	5.4	-145.4	175.8	-170.8	175.4	0.3	109.4
678	S	33.3	Very low	31.3	Very low	90 Å²	90	137.1 Å²	137.1	63%	0.629	76%	0.761	S	S	*	*			trans	46.4	149.8	140.5	60.3	0	0	0	0	123.5
679	R	31.2	Very low	31.7	Very low	228 Å²	228	135.4 Å²	135.4	86%	0.86	76%	0.761	S	S	*	*			cis	-166.6	132.4	-9.6	-104.7	166.8	-172	-168.2	0.6	106
680	L	29.4	Very low	31.8	Very low	175 Å²	175	135.3 Å²	135.3	92%	0.916	76%	0.761	S	S	*	*				82.2	119.7	78.1	-148.6	104.2	0	0	0	114.6
681	G	31.8	Very low	32	Very low	81 Å²	81	134.4 Å²	134.4	84%	0.835	77%	0.766	S	S	*	*			trans	163.6	113	169.2	0	0	0	0	0	116.9
682	K	29.5	Very low	32	Very low	206 Å²	206	132.1 Å²	132.1	90%	0.896	77%	0.772	S	S	*	*			trans	-128.1	175.8	176.9	-92.1	-173.3	176.7	-177.7	0	108.2
683	P	40.9	Very low	31.8	Very low	101 Å²	101	132.4 Å²	132.4	66%	0.656	78%	0.783	S	S	*	*			cis	-144.6	-160.7	-43.2	41.6	-21.7	0	0	0	114
684	T	31	Very low	31.7	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	80%	0.799	S	S	*	*			trans	83.3	142.4	144.9	43.7	0	0	0	0	125.4
685	S	30.3	Very low	31.7	Very low	128 Å²	128	135.3 Å²	135.3	90%	0.895	81%	0.812	S	S	*	*			trans	94.3	148.8	149.9	77	0	0	0	0	120.1
686	G	31.9	Very low	31.7	Very low	83 Å²	83	132.1 Å²	132.1	86%	0.856	81%	0.812	S	S	*	*			trans	124.5	127	179.8	0	0	0	0	0	113.4
687	A	30.8	Very low	31.6	Very low	107 Å²	107	134 Å²	134	88%	0.884	82%	0.82	S	S	*	*			trans	-148.1	154.1	177.3	0	0	0	0	0	111.5
688	S	31.8	Very low	31.5	Very low	128 Å²	128	126.4 Å²	126.4	90%	0.895	81%	0.812	S	S	*	*			trans	-159.8	172.1	158.7	-161.2	0	0	0	0	110.1
689	M	35.1	Very low	31.5	Very low	152 Å²	152	128 Å²	128	75%	0.749	82%	0.823	S	S	*	*			trans	-115	175.8	-168.2	-70.4	175.6	45.8	0	0	114.3
690	D	30.2	Very low	31.5	Very low	121 Å²	121	127 Å²	127	65%	0.647	83%	0.825	S	S	*	*			trans	88.6	114.6	144.6	-65.4	-29.1	0	0	0	123
691	T	33.3	Very low	31.5	Very low	137 Å²	137	124.8 Å²	124.8	84%	0.84	82%	0.819	S	S	*	*			trans	57.1	138.2	132	65.7	0	0	0	0	121.7
692	G	29.7	Very low	31.6	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	82%	0.822	S	S	*	*			trans	137.2	102.6	159.8	0	0	0	0	0	112.8
693	S	29.1	Very low	31.8	Very low	122 Å²	122	129.1 Å²	129.1	85%	0.853	82%	0.817	S	S	*	*			trans	-86	127.1	163.3	-59.3	0	0	0	0	109.1
694	E	29.3	Very low	31.1	Very low	187 Å²	187	134.1 Å²	134.1	87%	0.874	83%	0.829	S	S	*	*				175.3	166.3	124.6	-101.1	-172.1	-174.3	0	0	113.9
695	A	31.6	Very low	31	Very low	106 Å²	106	137.5 Å²	137.5	88%	0.876	84%	0.836	S	S	*	*			trans	65	172.5	162.7	0	0	0	0	0	118.3
696	S	29.6	Very low	31.1	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	83%	0.826	S	S	*	*			trans	-133	164.3	-163.6	-176.5	0	0	0	0	111.8
697	S	30.9	Very low	30.9	Very low	123 Å²	123	138.3 Å²	138.3	86%	0.86	82%	0.821	S	S	*	*			trans	69.7	153.7	178.4	82.5	0	0	0	0	115.7
698	G	31.8	Very low	30.8	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	82%	0.817	S	S	*	*			cis	167.6	138.9	-9.2	0	0	0	0	0	113.3
699	S	31.9	Very low	30.6	Very low	125 Å²	125	139.5 Å²	139.5	87%	0.874	80%	0.804	S	S	*	*			trans	-163.3	140	167	-85.6	0	0	0	0	109
700	K	31	Very low	30.4	Very low	205 Å²	205	140 Å²	140	89%	0.891	80%	0.804	S	S	*	*			cis	-113.6	146.9	17.2	-67	172	176.8	174.3	0	113.4
701	V	30.8	Very low	30.5	Very low	130 Å²	130	140.5 Å²	140.5	79%	0.788	81%	0.807	S	S	*	*			trans	-112.8	144.5	157.7	172.6	0	0	0	0	107.6
702	K	34.2	Very low	30.2	Very low	209 Å²	209	139.3 Å²	139.3	91%	0.909	80%	0.804	S	S	*	*			trans	-151.9	143.1	144.2	-120.1	-175.6	-178.8	-167.6	0	111.4
703	Q	32.1	Very low	30.8	Very low	168 Å²	168	141 Å²	141	79%	0.785	80%	0.801	S	S	*	*			trans	-72.1	144.3	176.6	-82.7	155.5	-62.5	0	0	110.6
704	F	27.9	Very low	30.6	Very low	207 Å²	207	141.9 Å²	141.9	91%	0.908	80%	0.801	S	S	*	*				72.2	94.9	71	-121.2	-68.2	0	0	0	111.9
705	E	28.9	Very low	30.7	Very low	195 Å²	195	136.4 Å²	136.4	91%	0.911	80%	0.795	S	S	*	*			trans	-151.5	153.1	158.5	-158.3	160.5	-148.7	0	0	108.3
706	G	31	Very low	30.8	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	79%	0.79	S	S	*	*			trans	-94	-167.9	171	0	0	0	0	0	111.1
707	Q	28.2	Very low	31.1	Very low	161 Å²	161	136 Å²	136	75%	0.752	79%	0.785	S	S	*	*			cis	-166.1	167.6	-3.1	-151.6	-171.3	40.2	0	0	107.7
708	Q	28.8	Very low	31.2	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	79%	0.785	S	S	*	*			trans	68	155.5	166.6	-54.5	164.4	37.2	0	0	114.7
709	S	27.5	Very low	31.1	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	78%	0.781	S	S	*	*			cis	-139.7	151.7	-13.3	47.8	0	0	0	0	107.8
710	H	31.2	Very low	30.9	Very low	162 Å²	162	137.2 Å²	137.2	75%	0.75	78%	0.78	S	S	*	*	S	Bend		-147.5	133.6	81.4	-91.8	-88	0	0	0	113.4
711	D	31.7	Very low	30.7	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	78%	0.779	S	S	*	*			trans	61	84.4	133.7	-48.7	-16.5	0	0	0	119.4
712	S	26.9	Very low	30.5	Very low	111 Å²	111	144.4 Å²	144.4	78%	0.776	79%	0.788	S	S	*	*			trans	-80.4	-144.2	133.6	-52.3	0	0	0	0	107.6
713	P	42.9	Very low	30.2	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	78%	0.778	S	S	*	*			cis	-142.2	-164.5	-6.5	28	-0	0	0	0	115.6
714	V	25.3	Very low	30.1	Very low	140 Å²	140	136.2 Å²	136.2	85%	0.848	79%	0.786	S	S	*	*			trans	86.9	117.7	154.3	-161.1	0	0	0	0	119
715	G	30.6	Very low	30.2	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	78%	0.781	S	S	*	*			trans	128.4	115.2	153.4	0	0	0	0	0	114.3
716	S	33.2	Very low	30.2	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	77%	0.773	S	S	*	*			cis	-160.3	177.9	-13.9	-158.3	0	0	0	0	110.5
717	S	37	Very low	30.3	Very low	97 Å²	97	125.4 Å²	125.4	68%	0.678	78%	0.776	S	S	*	*			trans	57.9	122.7	152.1	61.4	0	0	0	0	121.8
718	V	32.5	Very low	30.3	Very low	141 Å²	141	126.5 Å²	126.5	86%	0.855	78%	0.781	S	S	*	*				63.9	132	129.3	-177.5	0	0	0	0	118.8
719	G	29.4	Very low	30.4	Very low	57 Å²	57	123.9 Å²	123.9	59%	0.588	78%	0.782	S	S	*	*			cis	118.2	99.8	-5.8	0	0	0	0	0	115.4
720	V	28.6	Very low	30.5	Very low	142 Å²	142	122.8 Å²	122.8	86%	0.861	78%	0.784	S	S	*	*			trans	72.9	149.2	163.6	-160.3	0	0	0	0	116.4
721	R	27	Very low	30.3	Very low	232 Å²	232	120.4 Å²	120.4	88%	0.875	79%	0.786	S	S	*	*			trans	68.8	133.4	-179.6	-51	-170.3	-178.5	-153.7	-1.7	114.6
722	R	25.5	Very low	30.1	Very low	255 Å²	255	122.2 Å²	122.2	96%	0.962	80%	0.795	S	S	*	*			cis	63.3	107.1	-4	-140	-175	-154.8	-126	5.7	117.3
723	G	27.9	Very low	30.2	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	79%	0.788	S	S	*	*			trans	138.3	140.5	156.3	0	0	0	0	0	116
724	S	29.8	Very low	29.5	Very low	135 Å²	135	123 Å²	123	94%	0.944	79%	0.792	S	S	*	*			trans	77.1	117.4	178.2	-30.9	0	0	0	0	115
725	G	29.9	Very low	29.6	Very low	79 Å²	79	121.8 Å²	121.8	81%	0.814	79%	0.79	S	S	*	*			cis	-170.6	-179.8	-7.1	0	0	0	0	0	110.1
726	G	29.9	Very low	29.6	Very low	71 Å²	71	122.4 Å²	122.4	73%	0.732	80%	0.796	S	S	*	*			cis	-99.1	170.9	-12.2	0	0	0	0	0	112.5
727	A	31.6	Very low	29.3	Very low	92 Å²	92	121.9 Å²	121.9	76%	0.76	79%	0.793	S	S	*	*				73.5	126.4	73.1	0	0	0	0	0	112
728	E	28.5	Very low	28.9	Very low	184 Å²	184	125.1 Å²	125.1	86%	0.86	80%	0.797	S	S	*	*			cis	-156.8	-159.3	0.4	-137.6	151.4	-129.8	0	0	112.6
729	S	30.9	Very low	28.7	Very low	116 Å²	116	123.5 Å²	123.5	81%	0.811	79%	0.788	S	S	*	*			trans	-34.8	158.2	174.3	53.7	0	0	0	0	116.9
730	G	30.1	Very low	28.8	Very low	66 Å²	66	127.7 Å²	127.7	68%	0.68	80%	0.797	S	S	*	*			cis	165.9	144.2	13.1	0	0	0	0	0	107.7
731	S	27	Very low	28.9	Very low	112 Å²	112	126 Å²	126	78%	0.783	79%	0.791	S	S	*	*				65.8	128.1	99.8	-158.2	0	0	0	0	116
732	L	27.9	Very low	29.1	Very low	171 Å²	171	118.1 Å²	118.1	90%	0.895	78%	0.782	S	S	*	*			trans	67.9	147.1	179.5	-49.9	163.4	0	0	0	114.2
733	G	28.3	Very low	29.3	Very low	61 Å²	61	112.9 Å²	112.9	63%	0.629	77%	0.773	S	S	*	*			cis	171.3	170.6	-9.6	0	0	0	0	0	111.9
734	H	29.4	Very low	29.3	Very low	179 Å²	179	117.3 Å²	117.3	83%	0.829	78%	0.775	S	S	*	*			trans	62.8	122.9	161.9	-70.9	89.7	0	0	0	121.5
735	S	26	Very low	29.2	Very low	116 Å²	116	116 Å²	116	81%	0.811	77%	0.765	S	S	*	*			trans	23.1	129.6	139	59.7	0	0	0	0	121.6
736	G	30.4	Very low	29.1	Very low	84 Å²	84	115.5 Å²	115.5	87%	0.866	75%	0.748	S	S	*	*			trans	-172.1	123.5	157.4	0	0	0	0	0	111.9
737	S	28.4	Very low	29.7	Very low	101 Å²	101	114 Å²	114	71%	0.706	73%	0.726	S	S	*	*			trans	-110.1	173.1	176.6	52	0	0	0	0	111.8
738	H	27.6	Very low	29.5	Very low	164 Å²	164	117 Å²	117	76%	0.759	72%	0.724	S	S	*	*			trans	86.3	126.8	157	-69.1	-58.7	0	0	0	122.2
739	T	28	Very low	29.4	Very low	108 Å²	108	110.8 Å²	110.8	66%	0.663	70%	0.704	S	S	*	*				98.9	119.9	126.7	46.6	0	0	0	0	122.9
740	N	32.2	Very low	29.2	Very low	145 Å²	145	110.1 Å²	110.1	78%	0.775	70%	0.695	S	S	*	*			trans	78.6	152	130.4	-65.3	-2.4	0	0	0	121.3
741	S	30.9	Very low	29.1	Very low	107 Å²	107	114 Å²	114	75%	0.748	70%	0.695	S	S	*	*			cis	178	150.9	-35.5	52.5	0	0	0	0	110
742	G	31.2	Very low	29.1	Very low	66 Å²	66	114.5 Å²	114.5	68%	0.68	70%	0.698	S	S	*	*			trans	105.9	91.8	145.8	0	0	0	0	0	119.2
743	D	29	Very low	29.3	Very low	145 Å²	145	116.2 Å²	116.2	78%	0.775	70%	0.699	S	S	*	*				20.5	149.5	123.4	-68.5	-73.6	0	0	0	123
744	H	29.3	Very low	29.3	Very low	162 Å²	162	122 Å²	122	75%	0.75	71%	0.709	S	S	*	*			cis	-132.2	-111.9	10.4	-152.3	54.6	0	0	0	114.2
745	C	27.3	Very low	29.4	Very low	108 Å²	108	124.8 Å²	124.8	73%	0.73	71%	0.712	S	S	*	*			cis	-154.4	-173.9	-0.6	-158	0	0	0	0	111.9
746	S	27.6	Very low	29.5	Very low	67 Å²	67	126 Å²	126	47%	0.469	70%	0.703	S	S	.	*			trans	-167.7	176.6	-169.1	-118.1	0	0	0	0	113.3	S1878	S746-S1878 WeakPolarHBondContact O-CB 3.25Å
747	P	42.6	Very low	29.4	Very low	41 Å²	41	133.8 Å²	133.8	27%	0.266	71%	0.706	S	S	.	*			cis	-140	-173.8	9.9	25	1.8	0	0	0	117.6	N1877 S1878	P747-N1877 WeakPolarHBondContact O-CA 3.28Å; P747-N1877 PolarHBondContact O-N 3.31Å; P747-S1878 WeakPolarHBondContact O-CA 3.2Å
748	H	27.2	Very low	29.3	Very low	154 Å²	154	134.8 Å²	134.8	71%	0.713	71%	0.713	S	S	*	*			trans	97.6	93.4	153.3	-73.8	-65.2	0	0	0	121.5	T1876	H748-T1876 WeakPolarHBondContact O-CA 3.46Å
749	A	26.8	Very low	29.2	Very low	53 Å²	53	131.1 Å²	131.1	44%	0.438	71%	0.711	S	S	.	*				124.9	150.3	100.3	0	0	0	0	0	119.7
750	V	26.2	Very low	29.2	Very low	102 Å²	102	131.9 Å²	131.9	62%	0.618	72%	0.718	S	S	*	*			trans	67.7	83.7	160.3	-154.7	0	0	0	0	120
751	H	27.2	Very low	28.9	Very low	148 Å²	148	136.9 Å²	136.9	69%	0.685	73%	0.726	S	S	*	*				171.5	148.2	94.3	-110.3	-33.1	0	0	0	113.3
752	S	28.3	Very low	28.9	Very low	122 Å²	122	135.7 Å²	135.7	85%	0.853	72%	0.715	S	S	*	*			trans	-158.9	136.6	158.2	-84.5	0	0	0	0	109.8
753	K	31.8	Very low	28.8	Very low	208 Å²	208	138.4 Å²	138.4	90%	0.904	71%	0.713	S	S	*	*			trans	-92.6	123.6	-176.5	-77.2	179.1	177.1	171.8	0	111.4
754	E	28.8	Very low	29.1	Very low	181 Å²	181	135.5 Å²	135.5	85%	0.846	70%	0.701	S	S	*	*			trans	-75.2	131.9	-176	-166.9	-175.4	157.5	0	0	112.9	K756	E754-K756 PolarHBondContact O-N 2.87Å
755	R	30.3	Very low	29.4	Very low	238 Å²	238	137.3 Å²	137.3	90%	0.898	70%	0.702	S	S	*	*			trans	-96.8	83.9	-177.6	-161.6	175.5	-170.8	178.6	3.8	110.8	R757	R755-R757 PolarHBondContact O-N 3.34Å
756	K	27.8	Very low	29.8	Very low	143 Å²	143	136.1 Å²	136.1	62%	0.622	70%	0.7	S	S	*	*			trans	-40	119.1	-177.1	-66.6	-173.4	177.2	-173.2	0	113.3	E754	E754-K756 PolarHBondContact O-N 2.87Å
757	R	29.2	Very low	30.3	Very low	247 Å²	247	136.4 Å²	136.4	93%	0.932	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-95.6	135.4	163.4	-77.1	-178	169.2	176.3	-2.5	109.5	R755	R755-R757 PolarHBondContact O-N 3.34Å
758	S	25.2	Very low	30.4	Very low	122 Å²	122	138 Å²	138	85%	0.853	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-80.2	118.5	-178.7	53.5	0	0	0	0	112.1
759	A	26.4	Very low	31.1	Very low	87 Å²	87	141.4 Å²	141.4	72%	0.719	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-69.4	151.4	167.4	0	0	0	0	0	111.6
760	P	27.4	Very low	31.8	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-72.2	134.8	176.3	30.3	-34.1	0	0	0	111	T762	P760-T762 PolarHBondContact O-N 2.74Å
761	R	26.7	Very low	32.8	Very low	249 Å²	249	139.5 Å²	139.5	94%	0.94	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-74.4	117.2	171.5	-77.4	-179.5	167.7	169.6	-5.4	110.3
762	T	29.9	Very low	33.7	Very low	83 Å²	83	133.9 Å²	133.9	51%	0.509	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-72.5	171.2	158	47.2	0	0	0	0	110.4	P760 V764	P760-T762 PolarHBondContact O-N 2.74Å; T762-V764 PolarHBondContact O-N 2.93Å
763	N	30.8	Very low	34.7	Very low	122 Å²	122	133.3 Å²	133.3	65%	0.652	65%	0.649	S	S	*	*			trans	-73.5	78.6	173.1	-81.4	6.7	0	0	0	110.3	Y765	N763-Y765 PolarHBondContact O-N 3.32Å
764	V	34.6	Very low	35.5	Very low	85 Å²	85	127.8 Å²	127.8	52%	0.515	63%	0.63	S	S	.	*			trans	-78.1	115.3	175.4	178.8	0	0	0	0	109.2	T762 A766	T762-V764 PolarHBondContact O-N 2.93Å; V764-A766 VanDerWaalsContact C-N 3.3Å; V764-A766 PolarHBondContact O-N 3.44Å
765	Y	35.2	Very low	36.4	Very low	200 Å²	200	120.1 Å²	120.1	78%	0.784	60%	0.597	S	S	*	*			trans	-61.2	99.4	153.1	-85.6	-88.6	0	0	0	107	N763 W767	N763-Y765 PolarHBondContact O-N 3.32Å; Y765-W767 PolarHBondContact O-N 2.98Å
766	A	36.4	Very low	37.4	Very low	82 Å²	82	111.4 Å²	111.4	68%	0.678	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-64.6	122.1	-176.4	0	0	0	0	0	109.2	V764	V764-A766 VanDerWaalsContact C-N 3.3Å; V764-A766 PolarHBondContact O-N 3.44Å
767	W	38.1	Very low	38.4	Very low	73 Å²	73	109.2 Å²	109.2	28%	0.277	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-57.9	129.9	176.8	-84.2	62.7	0	0	0	109.8	Y425 Y765 R769 A771 V772	Y425-W767 HydrophobicContact CE1-CD2 4.23Å; Y425-W767 AromaticContact CE1-CE2 3.73Å; Y425-W767 HydrophobicContact CE1-CE3 4.25Å; Y425-W767 AromaticContact CE1-CH2 3.48Å; Y425-W767 HydrophobicContact CE1-CH2 3.48Å; Y425-W767 VanDerWaalsContact CE1-CH2 3.48Å; Y425-W767 AromaticContact CE1-CZ2 3.37Å; Y425-W767 HydrophobicContact CE1-CZ2 3.37Å; Y425-W767 AromaticContact CE1-CZ3 3.89Å; Y425-W767 HydrophobicContact CE1-CZ3 3.89Å; Y425-W767 AromaticContact CZ-CH2 3.74Å; Y425-W767 AromaticContact CZ-CZ2 3.7Å; Y425-W767 WeakPolarHBondContact OH-CH2 3.43Å; Y425-W767 WeakPolarHBondContact OH-CZ2 3.46Å; Y765-W767 PolarHBondContact O-N 2.98Å; W767-R769 PolarHBondContact O-N 3.26Å; W767-A771 HydrophobicContact CE3-CB 3.55Å; W767-A771 HydrophobicContact CZ3-CB 3.85Å; W767-V772 HydrophobicContact CB-CG2 3.42Å; W767-V772 VanDerWaalsContact CB-CG2 3.42Å
768	P	43.3	Very low	39.5	Very low	76 Å²	76	100.1 Å²	100.1	49%	0.494	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-51.9	140.5	172.9	-26.7	34.9	0	0	0	110	N770 A771 V772	P768-N770 PolarHBondContact O-N 2.91Å; P768-N770 VanDerWaalsContact O-N 3.09Å; P768-A771 HydrophobicContact CB-CB 4.47Å; P768-A771 WeakPolarHBondContact O-CA 3.29Å; P768-A771 WeakPolarHBondContact O-CB 3.4Å; P768-A771 PolarHBondContact O-N 3.47Å; P768-V772 PolarHBondContact O-N 3.18Å
769	R	41.8	Very low	40.3	Very low	225 Å²	225	97.6 Å²	97.6	85%	0.849	51%	0.508	S	S	*	.	H	α-helix	trans	-53.9	-37.2	-173.3	-77	-177.1	173.9	174	-1.6	112.6	W767 V772 K773	W767-R769 PolarHBondContact O-N 3.26Å; R769-V772 PolarHBondContact O-N 3.38Å; R769-K773 WeakPolarHBondContact O-CB 2.99Å; R769-K773 PolarHBondContact O-N 3.18Å
770	N	42.2	Very low	41.1	Very low	84 Å²	84	98.3 Å²	98.3	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-48.4	175.9	-58.2	0.4	0	0	0	111	P768 V772 K773 N774 D1806	P768-N770 PolarHBondContact O-N 2.91Å; P768-N770 VanDerWaalsContact O-N 3.09Å; N770-V772 VanDerWaalsContact C-N 3.34Å; N770-V772 PolarHBondContact O-N 2.99Å; N770-K773 WeakPolarHBondContact O-CB 3.3Å; N770-K773 PolarHBondContact O-N 3.2Å; N770-N774 VanDerWaalsContact O-CG 3.28Å; N770-N774 PolarHBondContact O-N 2.67Å; N770-N774 PolarHBondContact O-OD1 2.78Å; N770-N774 VanDerWaalsContact O-OD1 3.09Å; N770-D1806 PolarHBondContact ND2-OD2 3.47Å
771	A	47.3	Very low	41.7	Very low	30 Å²	30	97.2 Å²	97.2	25%	0.248	50%	0.5	C	S	.	.	H	α-helix	trans	-66.8	-32	177.7	0	0	0	0	0	113.1	W767 P768 A775	W767-A771 HydrophobicContact CE3-CB 3.55Å; W767-A771 HydrophobicContact CZ3-CB 3.85Å; P768-A771 HydrophobicContact CB-CB 4.47Å; P768-A771 WeakPolarHBondContact O-CA 3.29Å; P768-A771 WeakPolarHBondContact O-CB 3.4Å; P768-A771 PolarHBondContact O-N 3.47Å; A771-A775 VanDerWaalsContact O-CB 3.26Å; A771-A775 WeakPolarHBondContact O-CB 3.49Å; A771-A775 PolarHBondContact O-N 3.37Å; A771-A775 VanDerWaalsContact O-N 3.1Å
772	V	46.8	Very low	41.8	Very low	30 Å²	30	95.2 Å²	95.2	18%	0.182	50%	0.501	C	S	.	.	H	α-helix	trans	-66.9	-43.8	170.7	-179.4	0	0	0	0	111.2	V436 W767 P768 R769 N770 A775 I776	V436-V772 HydrophobicContact CB-CG1 4.25Å; V436-V772 HydrophobicContact CG2-CG1 4.11Å; W767-V772 HydrophobicContact CB-CG2 3.42Å; W767-V772 VanDerWaalsContact CB-CG2 3.42Å; P768-V772 PolarHBondContact O-N 3.18Å; R769-V772 PolarHBondContact O-N 3.38Å; N770-V772 VanDerWaalsContact C-N 3.34Å; N770-V772 PolarHBondContact O-N 2.99Å; V772-A775 PolarHBondContact O-N 2.7Å; V772-I776 HydrophobicContact CG1-CD1 3.96Å; V772-I776 VanDerWaalsContact O-CG1 3.32Å; V772-I776 WeakPolarHBondContact O-CG1 3.47Å; V772-I776 PolarHBondContact O-N 3.38Å; V772-I776 VanDerWaalsContact O-N 3.09Å
773	K	49.3	Very low	42	Very low	111 Å²	111	100.3 Å²	100.3	48%	0.483	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-50.4	179	-177.5	177.9	176	-65	0	111	R769 N770 A775 I776 E777	R769-K773 WeakPolarHBondContact O-CB 2.99Å; R769-K773 PolarHBondContact O-N 3.18Å; N770-K773 WeakPolarHBondContact O-CB 3.3Å; N770-K773 PolarHBondContact O-N 3.2Å; K773-A775 VanDerWaalsContact C-N 3.33Å; K773-A775 PolarHBondContact O-N 2.8Å; K773-I776 WeakPolarHBondContact O-CB 3.33Å; K773-I776 PolarHBondContact O-N 2.74Å; K773-E777 VanDerWaalsContact CE-OE1 3.23Å; K773-E777 WeakPolarHBondContact CE-OE1 3.19Å; K773-E777 WeakPolarHBondContact CG-OE1 3.4Å; K773-E777 VanDerWaalsContact NZ-CD 3.3Å; K773-E777 IonicContact NZ-OE1 3.71Å; K773-E777 PolarHBondContact NZ-OE1 3.31Å; K773-E777 IonicContact NZ-OE2 2.69Å; K773-E777 PolarHBondContact NZ-OE2 2.8Å; K773-E777 VanDerWaalsContact NZ-OE2 3.16Å; K773-E777 PolarHBondContact O-N 3.09Å
774	N	48.2	Very low	41.9	Very low	92 Å²	92	103.9 Å²	103.9	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-59	-44.9	177.3	-63.2	11.3	0	0	0	110.9	N770 I776 E777 T778	N770-N774 VanDerWaalsContact O-CG 3.28Å; N770-N774 PolarHBondContact O-N 2.67Å; N770-N774 PolarHBondContact O-OD1 2.78Å; N770-N774 VanDerWaalsContact O-OD1 3.09Å; N774-I776 PolarHBondContact O-N 2.89Å; N774-E777 PolarHBondContact O-N 3.49Å; N774-E777 VanDerWaalsContact O-N 3.16Å; N774-T778 PolarHBondContact O-N 3.05Å; N774-T778 PolarHBondContact O-OG1 3.42Å
775	A	48	Very low	41.5	Very low	20 Å²	20	108.3 Å²	108.3	17%	0.165	54%	0.544	C	S	.	.	H	α-helix	trans	-64	-23.7	177	0	0	0	0	0	114.3	V436 A771 V772 K773 L779	V436-A775 HydrophobicContact CG2-CB 4.29Å; A771-A775 VanDerWaalsContact O-CB 3.26Å; A771-A775 WeakPolarHBondContact O-CB 3.49Å; A771-A775 PolarHBondContact O-N 3.37Å; A771-A775 VanDerWaalsContact O-N 3.1Å; V772-A775 PolarHBondContact O-N 2.7Å; K773-A775 VanDerWaalsContact C-N 3.33Å; K773-A775 PolarHBondContact O-N 2.8Å; A775-L779 WeakPolarHBondContact O-CD1 3.24Å; A775-L779 WeakPolarHBondContact O-CG 3.43Å
776	I	51.9	Low	41.4	Very low	55 Å²	55	103 Å²	103	28%	0.282	52%	0.522	S	S	.	.	H	α-helix	trans	-79.1	-43.5	172	-69.1	164.3	0	0	0	110.5	T434 V436 V772 K773 N774 L779 S780	T434-I776 WeakPolarHBondContact O-CD1 3.39Å; V436-I776 HydrophobicContact CG2-CD1 4.25Å; V436-I776 HydrophobicContact CG2-CG1 3.67Å; V772-I776 HydrophobicContact CG1-CD1 3.96Å; V772-I776 VanDerWaalsContact O-CG1 3.32Å; V772-I776 WeakPolarHBondContact O-CG1 3.47Å; V772-I776 PolarHBondContact O-N 3.38Å; V772-I776 VanDerWaalsContact O-N 3.09Å; K773-I776 WeakPolarHBondContact O-CB 3.33Å; K773-I776 PolarHBondContact O-N 2.74Å; N774-I776 PolarHBondContact O-N 2.89Å; I776-L779 PolarHBondContact O-N 2.7Å; I776-S780 PolarHBondContact O-N 2.91Å
777	E	48.4	Very low	40.9	Very low	97 Å²	97	105 Å²	105	45%	0.453	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-45.4	-178.9	-75.1	166.7	-170.7	0	0	111.6	K773 N774 L779 S780	K773-E777 VanDerWaalsContact CE-OE1 3.23Å; K773-E777 WeakPolarHBondContact CE-OE1 3.19Å; K773-E777 WeakPolarHBondContact CG-OE1 3.4Å; K773-E777 VanDerWaalsContact NZ-CD 3.3Å; K773-E777 IonicContact NZ-OE1 3.71Å; K773-E777 PolarHBondContact NZ-OE1 3.31Å; K773-E777 IonicContact NZ-OE2 2.69Å; K773-E777 PolarHBondContact NZ-OE2 2.8Å; K773-E777 VanDerWaalsContact NZ-OE2 3.16Å; K773-E777 PolarHBondContact O-N 3.09Å; N774-E777 PolarHBondContact O-N 3.49Å; N774-E777 VanDerWaalsContact O-N 3.16Å; E777-L779 PolarHBondContact O-N 3.32Å; E777-S780 WeakPolarHBondContact O-CB 3.29Å; E777-S780 PolarHBondContact O-N 3.49Å
778	T	51.2	Low	40.6	Very low	55 Å²	55	105 Å²	105	34%	0.337	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.2	174.7	-38.5	0	0	0	0	113.1	N774 S780 W786	N774-T778 PolarHBondContact O-N 3.05Å; N774-T778 PolarHBondContact O-OG1 3.42Å; T778-S780 VanDerWaalsContact C-N 3.3Å; T778-W786 VanDerWaalsContact C-CH2 3.49Å; T778-W786 HydrophobicContact CG2-CD2 4.14Å; T778-W786 HydrophobicContact CG2-CE3 3.84Å; T778-W786 HydrophobicContact CG2-CH2 3.52Å; T778-W786 HydrophobicContact CG2-CZ2 3.85Å; T778-W786 HydrophobicContact CG2-CZ3 3.53Å; T778-W786 WeakPolarHBondContact O-CH2 3.21Å; T778-W786 WeakPolarHBondContact O-CZ2 3.49Å
779	L	43.3	Very low	40.1	Very low	69 Å²	69	103.4 Å²	103.4	36%	0.361	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.5	172	-75	175.8	0	0	0	113.5	V427 A775 I776 E777 W786	V427-L779 HydrophobicContact CG2-CD1 3.31Å; A775-L779 WeakPolarHBondContact O-CD1 3.24Å; A775-L779 WeakPolarHBondContact O-CG 3.43Å; I776-L779 PolarHBondContact O-N 2.7Å; E777-L779 PolarHBondContact O-N 3.32Å; L779-W786 HydrophobicContact CD2-CH2 3.51Å; L779-W786 HydrophobicContact CD2-CZ2 3.74Å; L779-W786 HydrophobicContact CG-CH2 3.74Å; L779-W786 HydrophobicContact CG-CZ2 4.38Å
780	S	41.7	Very low	39.3	Very low	103 Å²	103	96 Å²	96	72%	0.72	51%	0.509	S	S	*	.	S	Bend	trans	-96.1	-8.8	179.8	-164	0	0	0	0	114.2	I776 E777 T778	I776-S780 PolarHBondContact O-N 2.91Å; E777-S780 WeakPolarHBondContact O-CB 3.29Å; E777-S780 PolarHBondContact O-N 3.49Å; T778-S780 VanDerWaalsContact C-N 3.3Å
781	T	39.8	Very low	38.8	Very low	101 Å²	101	99 Å²	99	62%	0.62	52%	0.519	S	S	*	.	S	Bend	trans	-110.3	122.2	-176.4	46.8	0	0	0	0	112	K783	T781-K783 PolarHBondContact O-N 3.01Å
782	Q	30.3	Very low	37.8	Very low	206 Å²	206	99 Å²	99	96%	0.963	52%	0.517	S	S	*	.			trans	-86.6	86.9	177.9	-76.8	-165.6	-60.3	0	0	112.5
783	K	33.2	Very low	36.7	Very low	191 Å²	191	101.1 Å²	101.1	83%	0.83	53%	0.527	S	S	*	.	S	Bend	trans	-155.7	154.2	141.8	-125.3	177.5	-179.7	-177.1	0	111.2	T781 Q785	T781-K783 PolarHBondContact O-N 3.01Å; K783-Q785 PolarHBondContact O-N 3.17Å
784	E	28.7	Very low	35.6	Very low	197 Å²	197	104.4 Å²	104.4	92%	0.921	54%	0.542	S	S	*	.	S	Bend	trans	-86.8	72.7	-166.6	-63.3	-170.6	118.8	0	0	113.4
785	Q	26.1	Very low	34.6	Very low	178 Å²	178	108.7 Å²	108.7	83%	0.832	56%	0.558	S	S	*	*			trans	-146.1	132.3	165.4	-147	164.8	-5	0	0	109.6	K783	K783-Q785 PolarHBondContact O-N 3.17Å
786	W	32.6	Very low	33.5	Very low	89 Å²	89	113.8 Å²	113.8	34%	0.337	59%	0.59	S	S	.	*			trans	-129	116.9	-173.6	-79.9	71.8	0	0	0	109.7	T778 L779	T778-W786 VanDerWaalsContact C-CH2 3.49Å; T778-W786 HydrophobicContact CG2-CD2 4.14Å; T778-W786 HydrophobicContact CG2-CE3 3.84Å; T778-W786 HydrophobicContact CG2-CH2 3.52Å; T778-W786 HydrophobicContact CG2-CZ2 3.85Å; T778-W786 HydrophobicContact CG2-CZ3 3.53Å; T778-W786 WeakPolarHBondContact O-CH2 3.21Å; T778-W786 WeakPolarHBondContact O-CZ2 3.49Å; L779-W786 HydrophobicContact CD2-CH2 3.51Å; L779-W786 HydrophobicContact CD2-CZ2 3.74Å; L779-W786 HydrophobicContact CG-CH2 3.74Å; L779-W786 HydrophobicContact CG-CZ2 4.38Å
787	V	26.4	Very low	32.4	Very low	124 Å²	124	116.5 Å²	116.5	75%	0.752	61%	0.613	S	S	*	*			trans	-79	149.3	170.8	-178	0	0	0	0	108.8
788	D	32.2	Very low	31.4	Very low	72 Å²	72	119.3 Å²	119.3	39%	0.385	63%	0.632	S	S	.	*			trans	-88.3	-173.2	-165.6	-106.3	-63.8	0	0	0	113.5	R361	R361-D788 IonicContact CZ-OD2 3.43Å; R361-D788 IonicContact NH1-OD2 2.72Å; R361-D788 PolarHBondContact NH1-OD2 3.24Å
789	G	32.1	Very low	30.3	Very low	42 Å²	42	122.8 Å²	122.8	43%	0.433	66%	0.655	S	S	.	*	S	Bend	trans	-70.5	-167.6	-176.4	0	0	0	0	0	114.8	K791	G789-K791 PolarHBondContact O-N 3.07Å
790	P	26.6	Very low	29.5	Very low	70 Å²	70	123.9 Å²	123.9	46%	0.455	67%	0.668	S	S	.	*	S	Bend	trans	-73.1	73.4	-175.3	31.6	-36.2	0	0	0	112.5	I1803	P790-I1803 VanDerWaalsContact C-CG2 3.46Å; P790-I1803 HydrophobicContact CB-CG2 4.48Å
791	K	31	Very low	28.9	Very low	148 Å²	148	127.4 Å²	127.4	64%	0.643	67%	0.673	S	S	*	*	S	Bend	trans	-168.6	48	155.7	-102.3	178.2	-179.8	-159.5	0	110.5	G789 S1802 I1803	G789-K791 PolarHBondContact O-N 3.07Å; K791-S1802 WeakPolarHBondContact O-CB 3.39Å; K791-I1803 VanDerWaalsContact CA-CG2 3.42Å; K791-I1803 HydrophobicContact CG-CG2 4.48Å
792	S	25.8	Very low	28.2	Very low	30 Å²	30	131.2 Å²	131.2	21%	0.21	68%	0.684	C	S	.	*			trans	-149.8	96.7	170.7	63.5	0	0	0	0	114.1	S1802 I1803	S792-S1802 VanDerWaalsContact CA-CB 3.47Å; S792-S1802 WeakPolarHBondContact CA-OG 3.37Å; S792-I1803 VanDerWaalsContact C-CG1 3.46Å; S792-I1803 VanDerWaalsContact O-CD1 3.3Å; S792-I1803 WeakPolarHBondContact O-CD1 3.44Å
793	D	23.7	Very low	28.1	Very low	74 Å²	74	125.7 Å²	125.7	40%	0.396	67%	0.673	S	S	.	*			trans	-99.9	121.7	176.9	-112.7	-36.3	0	0	0	108.8	S1802 I1803 V1804	D793-S1802 PolarHBondContact N-OG 3.49Å; D793-I1803 HydrophobicContact CB-CB 4.25Å; D793-I1803 HydrophobicContact CB-CG1 3.68Å; D793-I1803 WeakPolarHBondContact OD2-CA 3.39Å; D793-I1803 VanDerWaalsContact OD2-CG1 3.28Å; D793-I1803 WeakPolarHBondContact OD2-CG1 3.3Å; D793-V1804 WeakPolarHBondContact OD2-CG2 3.2Å; D793-V1804 PolarHBondContact OD2-N 3.14Å
794	F	26.8	Very low	27.9	Very low	179 Å²	179	121.7 Å²	121.7	79%	0.785	67%	0.669	S	S	*	*			trans	-134.8	119	170.2	-94.8	-79.9	0	0	0	110.5
795	H	26	Very low	27.7	Very low	183 Å²	183	121.3 Å²	121.3	85%	0.847	67%	0.668	S	S	*	*			trans	-55.7	131.6	171.5	-96.5	-106.2	0	0	0	110.9	S797	H795-S797 PolarHBondContact O-N 2.72Å
796	P	26.3	Very low	27.7	Very low	126 Å²	126	118.8 Å²	118.8	82%	0.818	67%	0.665	S	S	*	*			trans	-79.5	116.9	172.1	30.9	-32	0	0	0	110.7
797	S	27.7	Very low	27.5	Very low	112 Å²	112	120.9 Å²	120.9	78%	0.783	69%	0.688	S	S	*	*			trans	-121.1	144.9	170	59.3	0	0	0	0	111.3	H795	H795-S797 PolarHBondContact O-N 2.72Å
798	N	27	Very low	27.4	Very low	157 Å²	157	121 Å²	121	84%	0.84	69%	0.689	S	S	*	*			trans	-82.4	136.9	-163.3	-69	-56	0	0	0	114.2
799	P	28.4	Very low	27.3	Very low	127 Å²	127	125.3 Å²	125.3	83%	0.825	71%	0.712	S	S	*	*			trans	-102.7	84.6	172.6	36.7	-31.4	0	0	0	113.8
800	S	26.5	Very low	27.2	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	73%	0.727	S	S	*	*			trans	-175.7	139.3	164.7	57.8	0	0	0	0	109.7
801	H	29.9	Very low	27.3	Very low	177 Å²	177	131.3 Å²	131.3	82%	0.819	75%	0.747	S	S	*	*			cis	-146.7	155.7	-9.6	-101.5	-61.8	0	0	0	105.5
802	Q	25.8	Very low	27.4	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	75%	0.754	S	S	*	*				-155.6	138.8	93.6	-90.5	178.6	8.9	0	0	110.8
803	A	27.1	Very low	27.3	Very low	89 Å²	89	136.7 Å²	136.7	74%	0.736	79%	0.785	S	S	*	*			trans	-111.8	123	159.5	0	0	0	0	0	107.7
804	S	28.3	Very low	27.8	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	80%	0.801	S	S	*	*			trans	-106.2	109.7	168.2	-67.8	0	0	0	0	108.1
805	Q	25.7	Very low	27.6	Very low	190 Å²	190	134 Å²	134	89%	0.888	79%	0.791	S	S	*	*			trans	-111.7	109.9	172.3	-79	-168.7	-14.9	0	0	110.6
806	T	26.1	Very low	27.4	Very low	125 Å²	125	129.9 Å²	129.9	77%	0.767	77%	0.774	S	S	*	*			trans	-146.2	128.7	158.2	44.6	0	0	0	0	106.5
807	T	28.3	Very low	27.6	Very low	133 Å²	133	125.4 Å²	125.4	82%	0.816	74%	0.743	S	S	*	*			cis	-151	159.8	3.1	-10.7	0	0	0	0	110.5
808	T	25.2	Very low	27.5	Very low	126 Å²	126	125.4 Å²	125.4	77%	0.773	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-67.9	136.3	174	48.3	0	0	0	0	112.3
809	N	29.1	Very low	27.6	Very low	163 Å²	163	124.8 Å²	124.8	87%	0.872	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-91.3	152	137.8	-89.4	-21.6	0	0	0	108.9
810	A	29.7	Very low	27.6	Very low	91 Å²	91	124.2 Å²	124.2	75%	0.752	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-71.7	171.4	172.2	0	0	0	0	0	109.9
811	V	29.8	Very low	27.7	Very low	146 Å²	146	123.4 Å²	123.4	89%	0.885	70%	0.701	S	S	*	*			cis	-145.6	-176	48.9	168.6	0	0	0	0	111.5
812	A	31.3	Very low	27.4	Very low	95 Å²	95	119.7 Å²	119.7	79%	0.785	68%	0.684	S	S	*	*			trans	-68.8	171.9	-160.4	0	0	0	0	0	118.8
813	K	24.1	Very low	27.5	Very low	196 Å²	196	115.8 Å²	115.8	85%	0.852	67%	0.672	S	S	*	*			trans	-71.2	175.6	162.2	-59.2	173.8	178.6	175.4	0	111.8
814	P	35.1	Very low	27.7	Very low	112 Å²	112	117.1 Å²	117.1	73%	0.727	67%	0.667	S	S	*	*			cis	-128.4	-163.3	-20.7	25.6	-1.7	0	0	0	112.2
815	S	22.6	Very low	27.6	Very low	84 Å²	84	119.6 Å²	119.6	59%	0.587	67%	0.667	S	S	*	*			trans	63.6	103.4	145.3	53	0	0	0	0	120.9
816	M	22.1	Very low	27.8	Very low	97 Å²	97	116.6 Å²	116.6	48%	0.478	66%	0.657	S	S	.	*				91.1	163.5	115.3	-71	-155.4	65.1	0	0	123	Q27 R28	Q27-M816 PolarHBondContact NE2-O 3.48Å; Q27-M816 VanDerWaalsContact NE2-O 3.09Å; Q27-M816 PolarHBondContact OE1-O 3.12Å; R28-M816 HydrophobicContact CG-CE 4.31Å; R28-M816 PolarHBondContact NE-SD 3.24Å; R28-M816 PolarHBondContact NH1-SD 3.02Å
817	I	30.7	Very low	27.7	Very low	33 Å²	33	116 Å²	116	17%	0.169	65%	0.653	C	S	.	*			trans	70	114	171.8	-65.2	99.8	0	0	0	117.2	Q27 R28	Q27-I817 HydrophobicContact CB-CB 4.25Å; Q27-I817 HydrophobicContact CB-CD1 4.23Å; Q27-I817 HydrophobicContact CB-CG1 4.44Å; Q27-I817 HydrophobicContact CB-CG2 4.08Å; Q27-I817 HydrophobicContact CG-CB 4.45Å; Q27-I817 HydrophobicContact CG-CD1 3.87Å; R28-I817 HydrophobicContact CB-CD1 3.63Å; R28-I817 HydrophobicContact CG-CD1 3.86Å; R28-I817 HydrophobicContact CG-CG1 4.46Å
818	D	25.7	Very low	27.8	Very low	111 Å²	111	119 Å²	119	59%	0.594	65%	0.654	S	S	*	*				36.8	133.4	118.6	-26.8	-24.5	0	0	0	119.8
819	K	27.1	Very low	27.9	Very low	145 Å²	145	118.9 Å²	118.9	63%	0.63	65%	0.654	S	S	*	*			trans	73	134.2	144.1	-66.3	162.6	164.2	-92.3	0	117.2
820	E	29	Very low	27.7	Very low	115 Å²	115	116 Å²	116	54%	0.537	65%	0.647	S	S	.	*			cis	-155.8	-173.2	6.3	-130.7	144.1	-161.9	0	0	113.3
821	T	28.1	Very low	27.6	Very low	75 Å²	75	116.2 Å²	116.2	46%	0.46	65%	0.648	S	S	.	*			trans	-45.4	162.2	162.8	47.7	0	0	0	0	113.6
822	Q	25.3	Very low	27.4	Very low	98 Å²	98	117.9 Å²	117.9	46%	0.458	65%	0.646	S	S	.	*			cis	-176.5	174.1	-0.6	-112.2	170.6	-36.1	0	0	109.4	I22	I22-Q822 WeakPolarHBondContact CD1-O 3.38Å; I22-Q822 HydrophobicContact CG1-CB 4.4Å; I22-Q822 WeakPolarHBondContact CG1-O 3.45Å; I22-Q822 WeakPolarHBondContact CG2-O 3.48Å
823	V	27.6	Very low	27.2	Very low	100 Å²	100	119 Å²	119	61%	0.606	64%	0.643	S	S	*	*			trans	55	-170.4	133.1	-176.1	0	0	0	0	118.9
824	D	29.9	Very low	27.4	Very low	117 Å²	117	117 Å²	117	63%	0.626	64%	0.64	S	S	*	*			trans	60.3	81.8	-168.1	-64.1	10.8	0	0	0	113.1	I22	I22-D824 HydrophobicContact CD1-CB 4.05Å
825	E	28	Very low	27.3	Very low	159 Å²	159	118.1 Å²	118.1	74%	0.743	64%	0.638	S	S	*	*			cis	81.3	163.2	41.7	-137.6	-144.5	145	0	0	114.8
826	L	28.7	Very low	28.1	Very low	128 Å²	128	118.6 Å²	118.6	67%	0.67	64%	0.64	S	S	*	*			trans	60.6	94.7	171	-63.7	175.4	0	0	0	119.8
827	T	25.1	Very low	29.1	Very low	112 Å²	112	119.4 Å²	119.4	69%	0.687	65%	0.652	S	S	*	*				42.5	110.4	124.6	52.2	0	0	0	0	119.7
828	K	28.9	Very low	29	Very low	195 Å²	195	125.5 Å²	125.5	85%	0.848	68%	0.68	S	S	*	*				78	86.4	73	-173.5	-166.5	-176.8	-175.7	0	113.9
829	T	26.9	Very low	29.2	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	69%	0.69	S	S	*	*			trans	-144.7	124.8	150.6	1.2	0	0	0	0	110.1
830	S	25.1	Very low	29.2	Very low	103 Å²	103	126 Å²	126	72%	0.72	70%	0.698	S	S	*	*				32.3	117.6	123.6	-47.7	0	0	0	0	117.2
831	A	27.6	Very low	28.9	Very low	95 Å²	95	125.4 Å²	125.4	79%	0.785	71%	0.706	S	S	*	*			cis	55.5	118.3	41.2	0	0	0	0	0	114.2
832	Q	27.3	Very low	28.8	Very low	181 Å²	181	129.3 Å²	129.3	85%	0.846	72%	0.719	S	S	*	*			trans	-173.7	127	147.3	-102.8	178	1.8	0	0	107.7
833	V	25.8	Very low	28.8	Very low	117 Å²	117	131.6 Å²	131.6	71%	0.709	73%	0.73	S	S	*	*				79.4	142.3	76.7	163	0	0	0	0	112.8
834	I	28.2	Very low	28.7	Very low	155 Å²	155	134 Å²	134	80%	0.795	74%	0.735	S	S	*	*			trans	-174.5	137.6	142.7	-101.1	151.2	0	0	0	107.9
835	I	32.9	Very low	28.6	Very low	135 Å²	135	136.1 Å²	136.1	69%	0.692	74%	0.741	S	S	*	*			cis	-176.8	-177.2	-14.7	-139.1	-179.2	0	0	0	106.5
836	P	40.6	Very low	28.4	Very low	95 Å²	95	137 Å²	137	62%	0.617	74%	0.744	S	S	*	*			cis	-120	-139.9	-29.8	43.1	-24.9	0	0	0	108.5
837	P	43.4	Very low	28.1	Very low	114 Å²	114	135.4 Å²	135.4	74%	0.74	74%	0.744	S	S	*	*			cis	-125.8	173.4	-26.5	34.7	-16.8	0	0	0	113.8
838	Q	28.2	Very low	27.9	Very low	161 Å²	161	138 Å²	138	75%	0.752	75%	0.752	S	S	*	*			cis	-163.5	149.2	-28.2	-111	-162.5	-18.2	0	0	109.5
839	L	28.6	Very low	27.9	Very low	151 Å²	151	133.4 Å²	133.4	79%	0.791	75%	0.745	S	S	*	*			trans	60.9	157.9	157.5	-89.1	72.2	0	0	0	118.1
840	S	27.5	Very low	27.7	Very low	115 Å²	115	132 Å²	132	80%	0.804	75%	0.746	S	S	*	*			cis	-140.9	169.3	-3.5	48.1	0	0	0	0	111.5
841	S	23.1	Very low	27.9	Very low	102 Å²	102	134.1 Å²	134.1	71%	0.713	75%	0.749	S	S	*	*			trans	-110.8	147.3	-176.3	53.9	0	0	0	0	112.9
842	Q	25.3	Very low	27.7	Very low	157 Å²	157	135.1 Å²	135.1	73%	0.734	75%	0.749	S	S	*	*				-172.9	152.4	128.6	-112	167.3	-75.9	0	0	113.5
843	E	26.1	Very low	27.7	Very low	147 Å²	147	132.3 Å²	132.3	69%	0.687	74%	0.744	S	S	*	*			trans	65.9	136.7	139.5	-80	158	-170.6	0	0	125.5
844	E	26.4	Very low	27.8	Very low	150 Å²	150	135 Å²	135	70%	0.701	75%	0.746	S	S	*	*			trans	74.4	128	133.2	-71.6	-141	114.3	0	0	125
845	Q	26.9	Very low	27.6	Very low	161 Å²	161	132.7 Å²	132.7	75%	0.752	74%	0.74	S	S	*	*			trans	76.8	164	135.6	-71.8	-172	37.2	0	0	121.1
846	H	23.8	Very low	27.6	Very low	177 Å²	177	133.9 Å²	133.9	82%	0.819	74%	0.742	S	S	*	*			trans	-94.3	169.5	-167.8	-90.5	-125.3	0	0	0	112.5
847	S	22.2	Very low	26.8	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	75%	0.748	S	S	*	*			trans	73.1	131.2	147.2	41.2	0	0	0	0	119.9
848	I	22	Very low	26.2	Very low	166 Å²	166	140.8 Å²	140.8	85%	0.851	75%	0.753	S	S	*	*			trans	51.3	95.8	135.4	-48.8	163.2	0	0	0	115.9
849	S	27.3	Very low	26.1	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	76%	0.756	S	S	*	*				-148	137.7	113.1	69	0	0	0	0	111.6
850	A	24.4	Very low	26.7	Very low	95 Å²	95	138.3 Å²	138.3	79%	0.785	76%	0.757	S	S	*	*			trans	-90.9	130.8	139.1	0	0	0	0	0	105.6
851	N	28.3	Very low	26.8	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	75%	0.75	S	S	*	*			trans	-143	108.6	162.9	-111.4	-30.9	0	0	0	111.8	T853	N851-T853 PolarHBondContact O-N 3.36Å
852	C	22.8	Very low	27.1	Very low	117 Å²	117	139.5 Å²	139.5	79%	0.791	75%	0.753	S	S	*	*			trans	-74.9	116.2	172.4	172.1	0	0	0	0	109.8
853	T	28.7	Very low	27.3	Very low	121 Å²	121	137.5 Å²	137.5	74%	0.742	75%	0.747	S	S	*	*			trans	-148.2	103.8	153.8	22.7	0	0	0	0	111.4	N851	N851-T853 PolarHBondContact O-N 3.36Å
854	K	28.1	Very low	27.4	Very low	174 Å²	174	138.1 Å²	138.1	76%	0.757	75%	0.75	S	S	*	*				60.3	116.1	109.7	-74.7	-173.4	-179.4	177.5	0	119.6
855	T	24.1	Very low	27.4	Very low	107 Å²	107	139.5 Å²	139.5	66%	0.656	75%	0.754	S	S	*	*				34.9	125	122.2	62.4	0	0	0	0	117.6
856	H	31.4	Very low	27.4	Very low	159 Å²	159	140.1 Å²	140.1	74%	0.736	76%	0.757	S	S	*	*				-158.3	167.7	67.9	-104.1	-86.4	0	0	0	115.7
857	Q	25.3	Very low	27.6	Very low	159 Å²	159	140 Å²	140	74%	0.743	76%	0.756	S	S	*	*			trans	-51.3	142.1	173.1	-49.7	127.8	-49.6	0	0	114.1
858	K	29.1	Very low	28.2	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	77%	0.767	S	S	*	*				-173.8	135.1	100.2	-105.7	177.5	176.8	177.7	0	115.2
859	V	26.4	Very low	28.9	Very low	133 Å²	133	138.3 Å²	138.3	81%	0.806	76%	0.758	S	S	*	*			trans	-9.7	126.1	144.6	178.8	0	0	0	0	114.3
860	P	42.5	Very low	29.3	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	76%	0.764	S	S	*	*				-116.2	167.6	71.7	38.3	-36.3	0	0	0	114.8
861	G	29.3	Very low	29.7	Very low	63 Å²	63	144.5 Å²	144.5	65%	0.649	77%	0.765	S	S	*	*			cis	137.4	117.6	-10.3	0	0	0	0	0	115.5
862	K	29.1	Very low	29.9	Very low	180 Å²	180	144.3 Å²	144.3	78%	0.783	76%	0.763	S	S	*	*			trans	87.8	144.4	146.8	-90.7	-180	135.1	-71.7	0	123.1
863	D	29.1	Very low	30.2	Very low	114 Å²	114	142.1 Å²	142.1	61%	0.61	76%	0.76	S	S	*	*			trans	85.7	66.8	141.6	-56.3	-13.1	0	0	0	123.8
864	H	28.4	Very low	30.3	Very low	161 Å²	161	145.6 Å²	145.6	75%	0.745	77%	0.765	S	S	*	*				28.8	146.5	107.5	-96.9	-78.1	0	0	0	124.3
865	F	25.9	Very low	30.5	Very low	179 Å²	179	142.4 Å²	142.4	79%	0.785	76%	0.76	S	S	*	*			trans	79.8	124.2	145.4	-82.8	-63.4	0	0	0	122.7
866	E	27.8	Very low	30.6	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	76%	0.761	S	S	*	*			trans	-85.3	130.6	142	-77.2	-178.6	124.7	0	0	108.5
867	Q	27.4	Very low	30.5	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.813	76%	0.76	S	S	*	*				81.2	90.7	65	-73.1	-161.9	15.1	0	0	116
868	T	35.8	Very low	30.7	Very low	145 Å²	145	140.9 Å²	140.9	89%	0.89	75%	0.749	S	S	*	*			trans	169.2	146.9	138.1	32.3	0	0	0	0	108.2
869	A	35.7	Very low	30.7	Very low	82 Å²	82	138.7 Å²	138.7	68%	0.678	74%	0.74	S	S	*	*			cis	-164.9	140.6	-36.3	0	0	0	0	0	106.2
870	D	35.4	Very low	30.7	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	74%	0.738	S	S	*	*			trans	47.2	106.1	163.9	-50.1	-17.4	0	0	0	119
871	E	33.2	Very low	30.1	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	73%	0.729	S	S	*	*				72.8	138.4	89.6	-80.9	-140.6	151.4	0	0	116.1
872	L	31.7	Very low	29.9	Very low	143 Å²	143	144.1 Å²	144.1	75%	0.749	74%	0.735	S	S	*	*			cis	-157.6	136.4	-8.6	-141.7	-179.2	0	0	0	108.3
873	G	30.8	Very low	29.9	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	73%	0.734	S	S	*	*			trans	-135.3	-16.5	-159	0	0	0	0	0	122
874	K	30.4	Very low	29.9	Very low	195 Å²	195	143.3 Å²	143.3	85%	0.848	74%	0.738	S	S	*	*			trans	66.9	147.3	-175.3	-61.9	178.4	-177.1	177.8	0	115.1
875	T	31.3	Very low	29.9	Very low	107 Å²	107	142.8 Å²	142.8	66%	0.656	74%	0.736	S	S	*	*			cis	-150.2	135.6	3.7	-1.9	0	0	0	0	112
876	E	27.7	Very low	30.2	Very low	145 Å²	145	142.3 Å²	142.3	68%	0.678	73%	0.734	S	S	*	*			trans	51.1	126.1	136.6	-72.2	176.9	129.7	0	0	123.9
877	Q	27.5	Very low	30.3	Very low	149 Å²	149	141.6 Å²	141.6	70%	0.696	74%	0.735	S	S	*	*			trans	73.1	151.5	131	-64.8	169.3	29.6	0	0	117.8
878	D	29.4	Very low	30.3	Very low	98 Å²	98	140 Å²	140	52%	0.524	74%	0.737	S	S	.	*			cis	-154.7	170.6	4.9	-138.3	-23.4	0	0	0	113.9
879	K	30.7	Very low	29.9	Very low	150 Å²	150	138.6 Å²	138.6	65%	0.652	73%	0.733	S	S	*	*			trans	33.8	119.2	145.8	-76.5	151.8	-157.7	151.2	0	122.3
880	Q	26	Very low	29.7	Very low	166 Å²	166	140.1 Å²	140.1	78%	0.776	73%	0.734	S	S	*	*				70.3	163.8	102.5	-145.8	-175.2	16.9	0	0	120.3
881	V	29.3	Very low	29.3	Very low	103 Å²	103	142.2 Å²	142.2	62%	0.624	74%	0.736	S	S	*	*			trans	68.4	102.9	161.6	-164	0	0	0	0	119.3
882	Q	25.5	Very low	29.5	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	73%	0.733	S	S	*	*				14.2	121.3	127.6	-56.7	163.8	-27.4	0	0	119.2
883	N	29.4	Very low	29.3	Very low	142 Å²	142	139.7 Å²	139.7	76%	0.759	74%	0.74	S	S	*	*				-174.9	128.7	123.5	-90.9	-41.5	0	0	0	107.8
884	I	28.3	Very low	29.2	Very low	134 Å²	134	141.1 Å²	141.1	69%	0.687	75%	0.745	S	S	*	*				76.2	112.6	61.4	-64.9	-179.1	0	0	0	113.1
885	Q	28.7	Very low	29.2	Very low	150 Å²	150	139.8 Å²	139.8	70%	0.701	75%	0.746	S	S	*	*			trans	80.1	142.8	158.3	-76.4	177.8	15.6	0	0	122.3
886	K	32.8	Very low	28.9	Very low	170 Å²	170	141.9 Å²	141.9	74%	0.739	75%	0.749	S	S	*	*			trans	69.9	111.7	160.1	-66.6	149.5	-175	164.6	0	115
887	N	29.4	Very low	29.1	Very low	158 Å²	158	146.1 Å²	146.1	85%	0.845	76%	0.758	S	S	*	*			cis	-136.9	164.5	30	-73.2	-41.4	0	0	0	114.3
888	V	27.7	Very low	29.5	Very low	140 Å²	140	144.6 Å²	144.6	85%	0.848	76%	0.764	S	S	*	*			trans	-127.7	121.8	-176.6	173.2	0	0	0	0	111.2
889	S	26.5	Very low	29.5	Very low	116 Å²	116	147 Å²	147	81%	0.811	78%	0.777	S	S	*	*			trans	172.4	137.5	172.5	-94.2	0	0	0	0	110.3
890	V	31.6	Very low	29.4	Very low	114 Å²	114	146.9 Å²	146.9	69%	0.691	78%	0.782	S	S	*	*			cis	-151.6	139.3	-6.9	172.4	0	0	0	0	109.6
891	K	28.5	Very low	29.6	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	78%	0.781	S	S	*	*			trans	52.4	124.2	159.6	-68.9	169	-175.4	-179.3	0	123
892	P	35.9	Very low	29.6	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	79%	0.786	S	S	*	*			trans	-109.3	142.7	141.7	34.3	-23.9	0	0	0	111.5
893	V	28.8	Very low	29.8	Very low	147 Å²	147	146.2 Å²	146.2	89%	0.891	79%	0.789	S	S	*	*				83.4	109.2	70	175.6	0	0	0	0	115.7
894	A	28.2	Very low	29.6	Very low	100 Å²	100	144.3 Å²	144.3	83%	0.826	79%	0.787	S	S	*	*			trans	164.2	170.2	142.3	0	0	0	0	0	110.5
895	L	30.7	Very low	29.6	Very low	167 Å²	167	144.8 Å²	144.8	87%	0.874	79%	0.791	S	S	*	*				-174.8	120.4	-70.3	171.4	84	0	0	0	107.8
896	E	24.5	Very low	29.5	Very low	152 Å²	152	146.7 Å²	146.7	71%	0.71	80%	0.797	S	S	*	*			trans	-165.6	164.1	152.5	-126.7	-174.2	-156.8	0	0	115.5
897	R	31.8	Very low	29.1	Very low	233 Å²	233	146.3 Å²	146.3	88%	0.879	80%	0.8	S	S	*	*			trans	-159.8	149.9	177.3	-62.7	-178.6	-178	168	-0.3	108.8
898	S	35.4	Very low	29.1	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	79%	0.794	S	S	*	*			cis	-165.5	169.8	-18	53.1	0	0	0	0	107.2
899	N	29.3	Very low	29.1	Very low	150 Å²	150	144.5 Å²	144.5	80%	0.802	79%	0.789	S	S	*	*			trans	-141.2	152.9	-165.1	-126.4	-20.8	0	0	0	117.1
900	I	30	Very low	29.3	Very low	146 Å²	146	143.7 Å²	143.7	75%	0.749	77%	0.773	S	S	*	*			trans	-138.6	145	176.6	-64.6	179.8	0	0	0	109.9
901	T	28.7	Very low	29.1	Very low	122 Å²	122	145 Å²	145	75%	0.748	77%	0.772	S	S	*	*			trans	62	100.2	166.6	46.1	0	0	0	0	121.8
902	S	31.1	Very low	29.1	Very low	106 Å²	106	144 Å²	144	74%	0.741	76%	0.763	S	S	*	*				88.2	137.4	119.2	81.9	0	0	0	0	123.2
903	K	28.1	Very low	28.7	Very low	195 Å²	195	142.5 Å²	142.5	85%	0.848	75%	0.748	S	S	*	*			trans	75.2	123.6	157.8	-73.6	-175.2	176.5	177.6	0	121.8
904	S	26.2	Very low	28.8	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	73%	0.73	S	S	*	*			trans	97.5	145.8	142	80.9	0	0	0	0	120
905	N	28.5	Very low	28.7	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	72%	0.717	S	S	*	*			trans	60.8	130.5	172.1	-58.2	-26.4	0	0	0	116.9
906	K	26.4	Very low	28.4	Very low	190 Å²	190	136.9 Å²	136.9	83%	0.826	70%	0.699	S	S	*	*				69.9	82.4	55.4	-79	-165	170.5	-174.4	0	115.1
907	M	25	Very low	28.5	Very low	161 Å²	161	132.9 Å²	132.9	79%	0.793	69%	0.687	S	S	*	*				77.4	87.3	115.5	-165.4	169.3	75.5	0	0	119.5
908	S	28.6	Very low	29	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	68%	0.682	S	S	*	*				-166.6	146.1	121.9	-75.4	0	0	0	0	107.4
909	Q	27.7	Very low	28.6	Very low	156 Å²	156	128.2 Å²	128.2	73%	0.729	68%	0.677	S	S	*	*				62.5	134.5	51.7	-63.2	-171.1	10.3	0	0	111.8
910	M	30	Very low	28.5	Very low	100 Å²	100	127.7 Å²	127.7	49%	0.493	67%	0.674	S	S	.	*			cis	-158	139.2	9.1	-166.1	89.5	70.4	0	0	111.8	R912	M910-R912 HydrophobicContact CG-CB 4.11Å; M910-R912 HydrophobicContact CG-CG 3.61Å; M910-R912 HydrophobicContact SD-CG 3.94Å; M910-R912 PolarHBondContact SD-NE 2.63Å
911	E	27	Very low	28.5	Very low	141 Å²	141	122.7 Å²	122.7	66%	0.659	66%	0.658	S	S	*	*			trans	-165.2	115.8	145.2	-112.6	171.2	-153.3	0	0	105.8
912	R	30	Very low	28.4	Very low	172 Å²	172	125 Å²	125	65%	0.649	66%	0.661	S	S	*	*			cis	65.7	70.3	26.9	-69	-166.3	-165.7	-171.7	4.4	115.4	M910	M910-R912 HydrophobicContact CG-CB 4.11Å; M910-R912 HydrophobicContact CG-CG 3.61Å; M910-R912 HydrophobicContact SD-CG 3.94Å; M910-R912 PolarHBondContact SD-NE 2.63Å
913	I	27.8	Very low	28.4	Very low	87 Å²	87	124.1 Å²	124.1	45%	0.446	65%	0.651	S	S	.	*				-75.7	108.6	126.2	-56.8	175.4	0	0	0	105.3	H925	I913-H925 HydrophobicContact CD1-CB 4.38Å
914	T	31	Very low	28.5	Very low	85 Å²	85	122 Å²	122	52%	0.521	64%	0.644	S	S	.	*			trans	-84.1	-172.2	165.9	-21.3	0	0	0	0	108
915	D	24.9	Very low	28.8	Very low	104 Å²	104	124.1 Å²	124.1	56%	0.556	64%	0.642	S	S	*	*			trans	73.5	128.6	170.3	-57.7	-35.4	0	0	0	115.6
916	H	25.5	Very low	29	Very low	106 Å²	106	119.8 Å²	119.8	49%	0.491	63%	0.626	S	S	.	*			cis	-155	154.7	5.6	-109	8	0	0	0	107.1	N920 G921	H916-N920 VanDerWaalsContact CB-C 3.41Å; H916-N920 WeakPolarHBondContact CB-O 3.35Å; H916-N920 PolarHBondContact CD2-O 2.77Å; H916-N920 VanDerWaalsContact CD2-O 3.23Å; H916-G921 VanDerWaalsContact CB-N 3.3Å; H916-G921 WeakPolarHBondContact CB-O 3.12Å
917	C	24.8	Very low	29.2	Very low	68 Å²	68	117 Å²	117	46%	0.459	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	cis	-169.1	-173.4	-4.5	-133.7	0	0	0	0	106.3	N919	C917-N919 VanDerWaalsContact CB-C 3.42Å; C917-N919 WeakPolarHBondContact CB-O 3.18Å; C917-N919 PolarHBondContact O-N 2.79Å
918	P	42.7	Very low	29.6	Very low	119 Å²	119	114.7 Å²	114.7	77%	0.773	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn		-56.5	84.6	129	30	-36.2	0	0	0	109.1
919	N	26.8	Very low	29.6	Very low	133 Å²	133	115.5 Å²	115.5	71%	0.711	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.9	106.5	-172.1	-38.7	-69.9	0	0	0	117.4	C917	C917-N919 VanDerWaalsContact CB-C 3.42Å; C917-N919 WeakPolarHBondContact CB-O 3.18Å; C917-N919 PolarHBondContact O-N 2.79Å
920	N	27.4	Very low	29.8	Very low	140 Å²	140	114.4 Å²	114.4	75%	0.749	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.8	120.9	147.5	-44.8	-25	0	0	0	122.1	H916	H916-N920 VanDerWaalsContact CB-C 3.41Å; H916-N920 WeakPolarHBondContact CB-O 3.35Å; H916-N920 PolarHBondContact CD2-O 2.77Å; H916-N920 VanDerWaalsContact CD2-O 3.23Å
921	G	29.9	Very low	29.8	Very low	40 Å²	40	115.5 Å²	115.5	41%	0.412	63%	0.632	S	S	.	*			trans	130	84.7	148	0	0	0	0	0	123.2	H916	H916-G921 VanDerWaalsContact CB-N 3.3Å; H916-G921 WeakPolarHBondContact CB-O 3.12Å
922	E	26.8	Very low	30.2	Very low	172 Å²	172	113.2 Å²	113.2	80%	0.804	63%	0.632	S	S	*	*			trans	42.9	116.6	139.5	-63.4	-171.7	104.8	0	0	126.9
923	V	30.5	Very low	30.2	Very low	87 Å²	87	112.7 Å²	112.7	53%	0.527	64%	0.636	S	S	.	*				89.7	141.2	113.2	171.7	0	0	0	0	124.3
924	Q	31.9	Very low	30.2	Very low	150 Å²	150	114.1 Å²	114.1	70%	0.701	65%	0.653	S	S	*	*			trans	75.5	155.5	162.4	-82.1	163	67.9	0	0	121.1
925	H	31.8	Very low	30.1	Very low	147 Å²	147	114.8 Å²	114.8	68%	0.681	66%	0.661	S	S	*	*			cis	-176.8	136.1	-44.7	-124.2	-69.2	0	0	0	114	I913	I913-H925 HydrophobicContact CD1-CB 4.38Å
926	A	33.4	Very low	30.2	Very low	53 Å²	53	115.5 Å²	115.5	44%	0.438	67%	0.669	S	S	.	*			trans	70.6	158.4	143.9	0	0	0	0	0	121.6
927	D	30.3	Very low	30.4	Very low	133 Å²	133	116.7 Å²	116.7	71%	0.711	69%	0.688	S	S	*	*			cis	-162.7	-163.6	-1.8	-138.8	-46.4	0	0	0	115.4
928	T	32.1	Very low	30.5	Very low	112 Å²	112	119.6 Å²	119.6	69%	0.687	70%	0.704	S	S	*	*			trans	-135.9	173.3	-152.8	61.1	0	0	0	0	114.2
929	T	29.3	Very low	29.7	Very low	121 Å²	121	122 Å²	122	74%	0.742	71%	0.706	S	S	*	*			cis	-164.9	-153.3	-21.1	37.4	0	0	0	0	109.6
930	L	31.8	Very low	29.7	Very low	132 Å²	132	120.5 Å²	120.5	69%	0.691	71%	0.713	S	S	*	*			trans	91.3	128.1	159.9	-71.1	161.5	0	0	0	123.4
931	S	30.9	Very low	29.7	Very low	124 Å²	124	117.4 Å²	117.4	87%	0.867	71%	0.714	S	S	*	*				-170.4	174.3	125.5	-165.4	0	0	0	0	111.1
932	S	33.8	Very low	29.6	Very low	93 Å²	93	121 Å²	121	65%	0.65	73%	0.733	S	S	*	*			trans	-155.2	158.3	-151.3	75.9	0	0	0	0	120.4
933	Q	31	Very low	29.8	Very low	160 Å²	160	120 Å²	120	75%	0.748	73%	0.732	S	S	*	*			trans	63.2	140.1	148.8	-70.7	-173.6	39.6	0	0	124.3
934	C	27.7	Very low	29.7	Very low	117 Å²	117	124.6 Å²	124.6	79%	0.791	75%	0.75	S	S	*	*			trans	32.6	150.9	136.5	-70.1	0	0	0	0	123
935	S	28.8	Very low	29.7	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	75%	0.752	S	S	*	*			cis	-175.7	167.2	-5.1	167.8	0	0	0	0	110.5
936	T	27.3	Very low	29.8	Very low	119 Å²	119	126.4 Å²	126.4	73%	0.73	76%	0.764	S	S	*	*			trans	86.9	109.2	151.9	-18.3	0	0	0	0	119
937	C	30.3	Very low	29.6	Very low	131 Å²	131	128.2 Å²	128.2	89%	0.885	77%	0.773	S	S	*	*				-164.7	167.2	116.8	-96	0	0	0	0	110.9
938	V	26.3	Very low	29.7	Very low	130 Å²	130	128.4 Å²	128.4	79%	0.788	77%	0.774	S	S	*	*			trans	-120.4	141.5	-173.5	178.8	0	0	0	0	110.2
939	M	26.2	Very low	29.7	Very low	168 Å²	168	129.9 Å²	129.9	83%	0.828	78%	0.777	S	S	*	*			trans	140.8	139.2	148.5	-77.9	-65.2	-82.3	0	0	111.7
940	A	25.2	Very low	29.6	Very low	103 Å²	103	129.5 Å²	129.5	85%	0.851	77%	0.774	S	S	*	*			trans	37.5	147.3	158.4	0	0	0	0	0	121
941	G	28.5	Very low	29.4	Very low	75 Å²	75	129.2 Å²	129.2	77%	0.773	78%	0.778	S	S	*	*			cis	-177.1	-173.8	6	0	0	0	0	0	110.1
942	S	27.9	Very low	29.1	Very low	115 Å²	115	131.4 Å²	131.4	80%	0.804	77%	0.774	S	S	*	*			trans	-84.5	139.7	-170.1	-67.6	0	0	0	0	115.9
943	L	30	Very low	28.8	Very low	152 Å²	152	133.3 Å²	133.3	80%	0.796	78%	0.782	S	S	*	*			trans	35.5	125.7	149.2	-70.6	95.7	0	0	0	121.1
944	M	29	Very low	28.6	Very low	183 Å²	183	129.6 Å²	129.6	90%	0.901	79%	0.787	S	S	*	*				-122.6	143.2	118.4	-69.4	-166.2	-172	0	0	108.3
945	N	31.9	Very low	28.4	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	79%	0.788	S	S	*	*			cis	87.5	105	38.8	-138.7	30.7	0	0	0	113.6
946	Q	34.2	Very low	28.3	Very low	196 Å²	196	133.1 Å²	133.1	92%	0.916	79%	0.79	S	S	*	*			trans	-140.9	158.7	144.7	-77.7	-156.3	-4.9	0	0	108.3
947	S	29.3	Very low	28.2	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	79%	0.786	S	S	*	*			trans	-137	-153.9	-167.3	56.6	0	0	0	0	110.6
948	N	31.4	Very low	28	Very low	137 Å²	137	133 Å²	133	73%	0.733	78%	0.78	S	S	*	*			trans	76.8	154.4	165.8	-64.7	-8	0	0	0	116.7
949	L	32.1	Very low	28.1	Very low	142 Å²	142	133.7 Å²	133.7	74%	0.743	78%	0.784	S	S	*	*			cis	-151.3	179.4	-4.9	-119.4	165.1	0	0	0	112.2
950	T	27.5	Very low	28.3	Very low	113 Å²	113	132.8 Å²	132.8	69%	0.693	78%	0.781	S	S	*	*			trans	-48	144.4	-172.5	45.1	0	0	0	0	121.9
951	V	27.4	Very low	28.7	Very low	127 Å²	127	132.4 Å²	132.4	77%	0.77	77%	0.769	S	S	*	*				-6	132.4	124.3	-157.9	0	0	0	0	117.3
952	E	25.4	Very low	28.6	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	77%	0.773	S	S	*	*				179.8	148.2	111.8	-97.7	-168.7	171.9	0	0	115.6
953	T	26.6	Very low	28.5	Very low	133 Å²	133	134 Å²	134	82%	0.816	76%	0.763	S	S	*	*			trans	26.8	130.5	157.3	62.6	0	0	0	0	121.9
954	G	27.2	Very low	28.4	Very low	82 Å²	82	134 Å²	134	85%	0.845	76%	0.764	S	S	*	*			trans	172.6	83.8	165.4	0	0	0	0	0	113.7
955	D	24	Very low	28.2	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	76%	0.758	S	S	*	*			trans	-82.7	170.3	-174.7	-150.3	-19.6	0	0	0	113.2
956	L	27.3	Very low	28.1	Very low	137 Å²	137	133 Å²	133	72%	0.717	76%	0.761	S	S	*	*			trans	83.8	107.9	163.9	-56.6	173.9	0	0	0	121.9
957	T	25.3	Very low	27.6	Very low	106 Å²	106	131.8 Å²	131.8	65%	0.65	76%	0.755	S	S	*	*				92	119.1	121.4	58.2	0	0	0	0	124.8
958	N	24.4	Very low	27.6	Very low	142 Å²	142	133.8 Å²	133.8	76%	0.759	76%	0.763	S	S	*	*				70.9	94.2	122.5	-58.6	-11.5	0	0	0	123.2
959	V	29.8	Very low	27.8	Very low	143 Å²	143	134 Å²	134	87%	0.867	77%	0.769	S	S	*	*	S	Bend	trans	-148.8	135.1	133.9	178.2	0	0	0	0	107.3
960	I	30.1	Very low	27.4	Very low	150 Å²	150	136.2 Å²	136.2	77%	0.769	77%	0.773	S	S	*	*			cis	-151.5	156	-35.2	-119.2	158.2	0	0	0	107.2
961	P	33	Very low	27.6	Very low	94 Å²	94	135.9 Å²	135.9	61%	0.61	77%	0.772	S	S	*	*			trans	-122.6	-175.3	-156.6	44.8	-33.8	0	0	0	114.9
962	I	27.3	Very low	27.4	Very low	166 Å²	166	138.2 Å²	138.2	85%	0.851	78%	0.775	S	S	*	*			trans	68.4	146.8	165	-59.5	164.5	0	0	0	112.6
963	G	24.9	Very low	27.4	Very low	58 Å²	58	135.4 Å²	135.4	60%	0.598	77%	0.774	S	S	*	*			cis	134.8	121.3	3.8	0	0	0	0	0	109.9
964	N	27.7	Very low	27.1	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	77%	0.772	S	S	*	*			trans	71	113.6	178.5	-63.9	-18.1	0	0	0	119.4
965	N	24.9	Very low	26.9	Very low	146 Å²	146	140.2 Å²	140.2	78%	0.781	77%	0.769	S	S	*	*			trans	61.9	107.2	138	-58.9	-27.5	0	0	0	120.7
966	I	29.2	Very low	26.9	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	76%	0.761	S	S	*	*				-150.7	118	121.7	-99.3	147.1	0	0	0	109.8
967	Q	25.2	Very low	26.7	Very low	171 Å²	171	138 Å²	138	80%	0.799	75%	0.754	S	S	*	*			trans	36.9	154.1	142.6	-49.4	179.1	-11.7	0	0	123.3
968	V	29.7	Very low	26.7	Very low	133 Å²	133	138.3 Å²	138.3	81%	0.806	76%	0.756	S	S	*	*			trans	65.4	78.6	165.8	-159.9	0	0	0	0	114.5
969	V	34.7	Very low	26.9	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	75%	0.752	S	S	*	*	S	Bend		-145.9	155.3	68.3	163.8	0	0	0	0	111
970	K	24.6	Very low	26.8	Very low	189 Å²	189	136.1 Å²	136.1	82%	0.822	74%	0.743	S	S	*	*			trans	-98.5	164.8	-175.3	-95.4	-159.5	168.6	-172.3	0	112.9
971	P	30.6	Very low	27	Very low	106 Å²	106	135 Å²	135	69%	0.688	74%	0.739	S	S	*	*			cis	-143.7	-170.9	-37.4	38.6	-19.3	0	0	0	113.7
972	Q	22.4	Very low	27	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	74%	0.74	S	S	*	*			trans	-73.3	173.9	153.6	-66.6	173.3	-41.4	0	0	112.1
973	S	25.5	Very low	27.1	Very low	110 Å²	110	133 Å²	133	77%	0.769	73%	0.732	S	S	*	*			trans	66.7	111.4	161.6	69.2	0	0	0	0	120.1
974	L	22.2	Very low	27.3	Very low	149 Å²	149	136.2 Å²	136.2	78%	0.78	74%	0.735	S	S	*	*				51.6	116.2	129.7	-137.9	82.2	0	0	0	120.6
975	E	21.9	Very low	27.5	Very low	168 Å²	168	136.2 Å²	136.2	79%	0.785	73%	0.73	S	S	*	*			trans	63.1	152.6	157.4	-71.3	168.5	-144	0	0	117
976	S	24	Very low	27.7	Very low	93 Å²	93	136.4 Å²	136.4	65%	0.65	73%	0.726	S	S	*	*			cis	-147.3	151.9	17	60.8	0	0	0	0	113.7
977	W	22.5	Very low	27.7	Very low	150 Å²	150	135 Å²	135	57%	0.568	72%	0.72	S	S	*	*			trans	56.1	116.1	138.1	-79	56.6	0	0	0	121.6	Y993	W977-Y993 AromaticContact CH2-CE2 3.93Å; W977-Y993 HydrophobicContact CH2-CE2 3.93Å; W977-Y993 HydrophobicContact CZ2-CD2 4.41Å; W977-Y993 AromaticContact CZ2-CE2 3.51Å; W977-Y993 HydrophobicContact CZ2-CE2 3.51Å; W977-Y993 AromaticContact CZ2-CZ 3.81Å
978	T	26	Very low	28	Very low	113 Å²	113	132.3 Å²	132.3	69%	0.693	71%	0.711	S	S	*	*			trans	75.8	148.4	131	67.6	0	0	0	0	118.9
979	V	28.8	Very low	28.1	Very low	110 Å²	110	134.1 Å²	134.1	67%	0.667	71%	0.708	S	S	*	*			cis	-161.2	147.9	-0.3	107.3	0	0	0	0	113.2
980	N	28.6	Very low	27.8	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	70%	0.703	S	S	*	*			trans	58	162.5	155.5	-65.5	1.8	0	0	0	119.6
981	N	32.3	Very low	28.1	Very low	128 Å²	128	131 Å²	131	68%	0.684	69%	0.694	S	S	*	*			cis	-136.5	162.2	6.5	-115	-25.8	0	0	0	108.5
982	S	34.5	Very low	28	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	69%	0.69	S	S	*	*			cis	-162.2	131.3	6.2	39.7	0	0	0	0	111.9
983	N	28.1	Very low	28.2	Very low	128 Å²	128	130.4 Å²	130.4	68%	0.684	68%	0.68	S	S	*	*				63.2	142.8	128.1	-49.8	-15.4	0	0	0	119.1
984	N	30.7	Very low	28.3	Very low	126 Å²	126	132 Å²	132	67%	0.674	68%	0.679	S	S	*	*			cis	-164	159.9	34.3	-133.1	-3.8	0	0	0	113.4
985	H	31.1	Very low	28.5	Very low	151 Å²	151	132 Å²	132	70%	0.699	68%	0.678	S	S	*	*			trans	61.7	143.4	169.4	-60.8	-76.1	0	0	0	119.1
986	E	29.1	Very low	28.7	Very low	149 Å²	149	131.3 Å²	131.3	70%	0.696	68%	0.675	S	S	*	*			cis	-170	156.1	-27.9	-117	-179.1	137	0	0	106
987	L	29.7	Very low	28.8	Very low	127 Å²	127	132.6 Å²	132.6	67%	0.665	68%	0.679	S	S	*	*			cis	-160.6	148.6	32.2	-121.8	151	0	0	0	111.5
988	N	30.5	Very low	29.1	Very low	113 Å²	113	130.2 Å²	130.2	60%	0.604	69%	0.685	S	S	*	*			trans	68.3	103.1	158.7	-77.1	-36.2	0	0	0	124.2
989	K	31.5	Very low	29.4	Very low	172 Å²	172	131.7 Å²	131.7	75%	0.748	69%	0.689	S	S	*	*				73.2	149.6	122.6	-65.1	170.6	-178.2	172.7	0	122.8
990	Q	28.9	Very low	29.5	Very low	161 Å²	161	134.5 Å²	134.5	75%	0.752	70%	0.695	S	S	*	*			cis	-171.4	153.1	-41.5	-120.6	174.5	-29.2	0	0	113.3
991	T	31.8	Very low	29.4	Very low	104 Å²	104	131.4 Å²	131.4	64%	0.638	68%	0.678	S	S	*	*			trans	67	111	149.9	51.5	0	0	0	0	124.4
992	N	28.8	Very low	29.3	Very low	112 Å²	112	132.1 Å²	132.1	60%	0.599	68%	0.677	S	S	*	*				80.6	119.5	114.1	-64.1	-1.8	0	0	0	125.2
993	Y	25.4	Very low	28.9	Very low	157 Å²	157	132.1 Å²	132.1	62%	0.616	67%	0.669	S	S	*	*				62.4	135.4	126.8	-76.9	-63.2	0	0	0	124.5	W977	W977-Y993 AromaticContact CH2-CE2 3.93Å; W977-Y993 HydrophobicContact CH2-CE2 3.93Å; W977-Y993 HydrophobicContact CZ2-CD2 4.41Å; W977-Y993 AromaticContact CZ2-CE2 3.51Å; W977-Y993 HydrophobicContact CZ2-CE2 3.51Å; W977-Y993 AromaticContact CZ2-CZ 3.81Å
994	I	27	Very low	28.9	Very low	144 Å²	144	131 Å²	131	74%	0.738	67%	0.667	S	S	*	*			trans	90.3	133.6	133.5	-79.6	167.1	0	0	0	121.9
995	L	27	Very low	28.6	Very low	147 Å²	147	131.2 Å²	131.2	77%	0.77	67%	0.668	S	S	*	*			trans	64.1	110.5	160.3	-108.2	62.7	0	0	0	122.6
996	H	27.1	Very low	28.3	Very low	154 Å²	154	130.2 Å²	130.2	71%	0.713	67%	0.672	S	S	*	*				67.6	110	126.4	-96.3	-100.7	0	0	0	122.6
997	T	25.6	Very low	28.5	Very low	121 Å²	121	128.6 Å²	128.6	74%	0.742	67%	0.668	S	S	*	*			trans	59.5	129.7	132	52.6	0	0	0	0	119.8
998	S	29.3	Very low	28.5	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	68%	0.678	S	S	*	*			cis	-161.7	170.1	14.8	58.3	0	0	0	0	114.2
999	N	31.1	Very low	28.3	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	68%	0.681	S	S	*	*			trans	64.5	68.6	153.1	-63.7	-1.7	0	0	0	119.5
1000	Q	30.6	Very low	28.2	Very low	170 Å²	170	128.9 Å²	128.9	79%	0.794	68%	0.681	S	S	*	*				45.4	133.6	118.5	-75.2	-172.4	-14.5	0	0	120.9
1001	N	28	Very low	28	Very low	63 Å²	63	129 Å²	129	34%	0.337	68%	0.679	S	S	.	*				-127.9	-116.1	107.3	-119.4	-115.6	0	0	0	111.2	P1403 T1404 T1405	N1001-P1403 HydrophobicContact CB-CB 3.44Å; N1001-P1403 VanDerWaalsContact CB-CB 3.44Å; N1001-P1403 HydrophobicContact CB-CG 3.97Å; N1001-T1404 VanDerWaalsContact CB-OG1 3.32Å; N1001-T1404 WeakPolarHBondContact CB-OG1 3.46Å; N1001-T1404 VanDerWaalsContact CG-OG1 3.25Å; N1001-T1404 PolarHBondContact OD1-OG1 2.94Å; N1001-T1405 PolarHBondContact ND2-OG1 3.37Å
1002	Q	29.5	Very low	27.7	Very low	143 Å²	143	132.4 Å²	132.4	67%	0.668	69%	0.688	S	S	*	*			trans	-148.9	144.7	-156.6	-55.1	163.7	73.7	0	0	111.7	S1402	Q1002-S1402 WeakPolarHBondContact O-CB 3.5Å
1003	M	25.9	Very low	27.5	Very low	90 Å²	90	132.2 Å²	132.2	44%	0.443	70%	0.695	S	S	.	*			trans	-153.4	144	130.4	-153	156.6	124.1	0	0	112.3	F1401 S1402	M1003-F1401 HydrophobicContact CB-CB 3.65Å; M1003-F1401 HydrophobicContact CB-CD1 3.65Å; M1003-F1401 HydrophobicContact CB-CG 3.97Å; M1003-F1401 HydrophobicContact CE-CD1 3.59Å; M1003-F1401 HydrophobicContact CE-CE1 4.1Å; M1003-F1401 HydrophobicContact CG-CB 4.39Å; M1003-F1401 HydrophobicContact CG-CD1 3.63Å; M1003-F1401 HydrophobicContact CG-CE1 4.46Å; M1003-F1401 HydrophobicContact CG-CG 4.42Å; M1003-F1401 HydrophobicContact SD-CD1 4.01Å; M1003-S1402 WeakPolarHBondContact SD-CB 3.48Å; M1003-S1402 PolarHBondContact SD-N 3.09Å
1004	T	27.8	Very low	27.7	Very low	105 Å²	105	129.3 Å²	129.3	64%	0.644	70%	0.698	S	S	*	*			trans	-159.2	146	131.3	5.9	0	0	0	0	108.7	V1006 F1401	T1004-V1006 PolarHBondContact O-N 3.2Å; T1004-F1401 HydrophobicContact CG2-CD1 4.24Å; T1004-F1401 HydrophobicContact CG2-CE1 3.63Å; T1004-F1401 HydrophobicContact CG2-CE2 4.02Å; T1004-F1401 HydrophobicContact CG2-CZ 3.51Å
1005	N	25.6	Very low	27.8	Very low	130 Å²	130	129.3 Å²	129.3	70%	0.695	70%	0.699	S	S	*	*			trans	-14.7	102.9	177.5	-59.8	-23.2	0	0	0	118.8
1006	V	25	Very low	27.7	Very low	129 Å²	129	131.3 Å²	131.3	78%	0.782	71%	0.705	S	S	*	*			trans	-137.5	128.6	145.6	-179.7	0	0	0	0	108.4	T1004	T1004-V1006 PolarHBondContact O-N 3.2Å
1007	N	33.4	Very low	27.6	Very low	116 Å²	116	130 Å²	130	62%	0.62	71%	0.711	S	S	*	*			trans	-176.8	148.8	150	-102.9	-41.2	0	0	0	111.1	I1009	N1007-I1009 WeakPolarHBondContact OD1-CD1 3.24Å; N1007-I1009 VanDerWaalsContact OD1-CG1 3.23Å; N1007-I1009 WeakPolarHBondContact OD1-CG1 3.29Å; N1007-I1009 PolarHBondContact OD1-N 3.03Å
1008	P	29.3	Very low	27.5	Very low	133 Å²	133	130.6 Å²	130.6	86%	0.864	71%	0.706	S	S	*	*				-123.8	66.9	114.9	37.3	-34.6	0	0	0	113.2	M1010	P1008-M1010 PolarHBondContact O-N 3.39Å
1009	I	26.7	Very low	27.2	Very low	133 Å²	133	131.3 Å²	131.3	68%	0.682	70%	0.701	S	S	*	*			trans	-62.9	113.8	147.5	-73.9	169	0	0	0	108.2	N1007	N1007-I1009 WeakPolarHBondContact OD1-CD1 3.24Å; N1007-I1009 VanDerWaalsContact OD1-CG1 3.23Å; N1007-I1009 WeakPolarHBondContact OD1-CG1 3.29Å; N1007-I1009 PolarHBondContact OD1-N 3.03Å
1010	M	28.6	Very low	26.9	Very low	152 Å²	152	130.3 Å²	130.3	75%	0.749	70%	0.7	S	S	*	*			trans	-152.6	115.3	143.4	-103.7	-89.2	175.8	0	0	110.1	P1008	P1008-M1010 PolarHBondContact O-N 3.39Å
1011	K	25.7	Very low	26.7	Very low	163 Å²	163	132.3 Å²	132.3	71%	0.709	71%	0.706	S	S	*	*			trans	76.4	110.2	154.7	-67.9	169.6	179	166.9	0	120.3
1012	Q	24.8	Very low	26.5	Very low	176 Å²	176	133.7 Å²	133.7	82%	0.822	72%	0.721	S	S	*	*				101.9	146.2	124.6	-74.2	176.6	-52.2	0	0	120.6
1013	S	25.3	Very low	26.4	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	73%	0.728	S	S	*	*			trans	61.5	82.7	162	39.5	0	0	0	0	119.1
1014	S	28.4	Very low	26.3	Very low	96 Å²	96	137.8 Å²	137.8	67%	0.671	74%	0.738	S	S	*	*				60.6	104.8	118	62.9	0	0	0	0	120.7
1015	N	28.8	Very low	26.3	Very low	144 Å²	144	139 Å²	139	77%	0.77	74%	0.741	S	S	*	*				58.6	96.2	120.5	-55.9	17.4	0	0	0	118.7
1016	E	26.4	Very low	26.3	Very low	190 Å²	190	140.5 Å²	140.5	89%	0.888	74%	0.743	S	S	*	*				14.2	143.6	113.1	-56.5	-179.7	120.8	0	0	119.2
1017	C	23.4	Very low	26.2	Very low	125 Å²	125	138.1 Å²	138.1	85%	0.845	73%	0.732	S	S	*	*			trans	-129.1	99.7	165	-83.8	0	0	0	0	112.1
1018	H	24	Very low	25.8	Very low	135 Å²	135	139.4 Å²	139.4	63%	0.625	74%	0.739	S	S	*	*			trans	-142.4	136.5	158.1	-98.7	-72.7	0	0	0	110.4	M1072	H1018-M1072 VanDerWaalsContact CE1-SD 3.55Å
1019	L	23.7	Very low	25.7	Very low	114 Å²	114	138.5 Å²	138.5	60%	0.597	73%	0.732	S	S	*	*			trans	40.4	112.4	142.7	-65.3	165.7	0	0	0	117.2	M1072	L1019-M1072 HydrophobicContact CD1-CE 3.67Å; L1019-M1072 HydrophobicContact CD1-SD 3.99Å
1020	T	23.7	Very low	25.7	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	74%	0.739	S	S	*	*			cis	-168.6	151.5	33.5	43.3	0	0	0	0	112.8
1021	K	27.3	Very low	25.7	Very low	212 Å²	212	136.1 Å²	136.1	92%	0.922	73%	0.734	S	S	*	*				-168.6	149.6	122.8	-110.5	173.2	-177.5	175.3	0	112.1
1022	S	22.3	Very low	25.9	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	74%	0.738	S	S	*	*			trans	-126.3	-175.6	175.7	-169.8	0	0	0	0	109.8
1023	F	27.4	Very low	25.9	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.803	74%	0.735	S	S	*	*			trans	73.9	107.5	-169.9	-55.8	-78.6	0	0	0	112.8
1024	M	25.3	Very low	26	Very low	136 Å²	136	131.5 Å²	131.5	67%	0.67	73%	0.73	S	S	*	*				68.1	132	58.5	-54.6	168.1	71.7	0	0	111.1
1025	N	27.4	Very low	25.9	Very low	130 Å²	130	136.3 Å²	136.3	70%	0.695	74%	0.739	S	S	*	*			cis	-140.5	164.2	39.9	-77.7	-55.5	0	0	0	115.2
1026	H	25.2	Very low	25.9	Very low	162 Å²	162	136.3 Å²	136.3	75%	0.75	74%	0.744	S	S	*	*			trans	11	149.1	134.9	-59.8	-76	0	0	0	120.7
1027	S	23.5	Very low	26.1	Very low	79 Å²	79	136.5 Å²	136.5	55%	0.552	74%	0.742	S	S	*	*			cis	-171.3	173.4	-6.6	53.6	0	0	0	0	111.2
1028	D	24	Very low	26.6	Very low	142 Å²	142	136.2 Å²	136.2	76%	0.759	74%	0.738	S	S	*	*			trans	58.3	153.3	157.1	-39.5	-48	0	0	0	118.6
1029	T	28	Very low	26.7	Very low	115 Å²	115	138.4 Å²	138.4	71%	0.706	75%	0.746	S	S	*	*			cis	-148.4	148.1	16.5	49.3	0	0	0	0	112.6
1030	N	25.5	Very low	26.9	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	75%	0.751	S	S	*	*			trans	57.5	144.8	139.7	-62.5	-33.4	0	0	0	123.3
1031	A	29.3	Very low	26.9	Very low	77 Å²	77	141.1 Å²	141.1	64%	0.636	75%	0.752	S	S	*	*			trans	-88.1	173.1	176.5	0	0	0	0	0	113.5	I1033	A1031-I1033 HydrophobicContact CB-CG1 4.23Å
1032	P	31.1	Very low	26.9	Very low	122 Å²	122	136.9 Å²	136.9	79%	0.792	74%	0.74	S	S	*	*				-129.2	145.9	93.3	37.6	-30.3	0	0	0	112.3
1033	I	23.1	Very low	27.3	Very low	149 Å²	149	141.5 Å²	141.5	76%	0.764	74%	0.743	S	S	*	*				72.9	128.1	50.5	-62.4	177.4	0	0	0	113.4	A1031	A1031-I1033 HydrophobicContact CB-CG1 4.23Å
1034	A	28.4	Very low	27.4	Very low	78 Å²	78	138.7 Å²	138.7	65%	0.645	74%	0.735	S	S	*	*			trans	70.5	134.8	173.9	0	0	0	0	0	117
1035	K	26.9	Very low	27.4	Very low	196 Å²	196	140.3 Å²	140.3	85%	0.852	74%	0.741	S	S	*	*			cis	-146	151	-8.7	-86.1	137.1	-172.4	170.8	0	105.7
1036	V	29.1	Very low	27.6	Very low	144 Å²	144	141.9 Å²	141.9	87%	0.873	74%	0.742	S	S	*	*				-156.9	164	69.8	163.4	0	0	0	0	110.2
1037	K	29.4	Very low	27.8	Very low	194 Å²	194	142.3 Å²	142.3	84%	0.843	74%	0.744	S	S	*	*			trans	-76.9	150.3	-164	-56.8	175.3	179.9	178.9	0	115.4
1038	P	34.9	Very low	27.9	Very low	120 Å²	120	143.3 Å²	143.3	78%	0.779	75%	0.75	S	S	*	*			trans	-80.5	146	169.7	33.6	-34.8	0	0	0	113.1	V1040	P1038-V1040 PolarHBondContact O-N 2.63Å
1039	F	25.8	Very low	28.2	Very low	181 Å²	181	143 Å²	143	79%	0.794	75%	0.754	S	S	*	*			trans	-101.5	54.5	-177.2	-161.1	-94.6	0	0	0	112.3
1040	V	27.8	Very low	28	Very low	113 Å²	113	145.7 Å²	145.7	69%	0.685	76%	0.763	S	S	*	*			trans	-132.2	57.4	-174.8	-161.6	0	0	0	0	111.9	P1038	P1038-V1040 PolarHBondContact O-N 2.63Å
1041	K	23.3	Very low	28.2	Very low	179 Å²	179	143.9 Å²	143.9	78%	0.778	76%	0.76	S	S	*	*	S	Bend	trans	-141.9	-25.5	165.1	-145.8	169.9	-176.2	178.9	0	115
1042	D	26.5	Very low	28	Very low	124 Å²	124	147.7 Å²	147.7	66%	0.663	77%	0.768	S	S	*	*	S	Bend	trans	-88	-16	177.8	-97.5	15.7	0	0	0	115.1
1043	W	32	Very low	27.7	Very low	190 Å²	190	148.9 Å²	148.9	72%	0.72	77%	0.768	S	S	*	*	S	Bend	trans	-78.9	-32.8	-176	-169.9	69.2	0	0	0	113.4	Q1045	W1043-Q1045 VanDerWaalsContact C-N 3.33Å; W1043-Q1045 PolarHBondContact O-N 3.46Å
1044	I	27.9	Very low	27.8	Very low	124 Å²	124	147.5 Å²	147.5	64%	0.636	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-18.3	-175.4	-67.5	175.6	0	0	0	111.9
1045	Q	26.9	Very low	27.8	Very low	169 Å²	169	150.2 Å²	150.2	79%	0.79	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	22.7	-169.6	-157.7	152	4.9	0	0	114.9	W1043	W1043-Q1045 VanDerWaalsContact C-N 3.33Å; W1043-Q1045 PolarHBondContact O-N 3.46Å
1046	K	30.7	Very low	27.8	Very low	164 Å²	164	147.6 Å²	147.6	71%	0.713	76%	0.762	S	S	*	*	S	Bend	trans	-135.1	0.8	-178.1	-99.5	171.5	-177.2	162.1	0	117.7
1047	H	29.8	Very low	27.7	Very low	171 Å²	171	146.8 Å²	146.8	79%	0.792	75%	0.749	S	S	*	*	S	Bend	trans	-136.5	40.2	-173	-77.4	-60.7	0	0	0	116
1048	S	26.3	Very low	27.5	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	74%	0.743	S	S	*	*			trans	-151.2	71.3	173.9	57.4	0	0	0	0	114.3
1049	T	29.1	Very low	27.2	Very low	137 Å²	137	147 Å²	147	84%	0.84	74%	0.743	S	S	*	*			trans	-141.9	82.8	169.5	45.2	0	0	0	0	113.8
1050	L	25	Very low	27.1	Very low	170 Å²	170	147.1 Å²	147.1	89%	0.89	74%	0.743	S	S	*	*	S	Bend	trans	-141.9	141.6	138.7	-87.3	-175.9	0	0	0	107.9
1051	P	28.8	Very low	27.1	Very low	120 Å²	120	148.1 Å²	148.1	78%	0.779	75%	0.75	S	S	*	*			trans	-85.5	140.5	-160.2	32.2	-35.6	0	0	0	113.9
1052	I	25.9	Very low	27.3	Very low	157 Å²	157	148.3 Å²	148.3	81%	0.805	75%	0.751	S	S	*	*			trans	-107.9	139.5	148.7	-67.6	177.9	0	0	0	106.1	T1054	I1052-T1054 HydrophobicContact CG2-CG2 4.46Å
1053	N	23.7	Very low	27.3	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	75%	0.753	S	S	*	*			trans	-105.5	107	-171.6	-169.1	27.5	0	0	0	110.4
1054	T	26.1	Very low	27.1	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	75%	0.752	S	S	*	*			trans	-144.8	94.9	176.2	50.8	0	0	0	0	111.9	I1052	I1052-T1054 HydrophobicContact CG2-CG2 4.46Å
1055	N	28	Very low	27	Very low	136 Å²	136	147.4 Å²	147.4	73%	0.727	76%	0.76	S	S	*	*			trans	-56.1	141.8	147.1	-69.1	16.5	0	0	0	108.7
1056	M	26.4	Very low	27.1	Very low	140 Å²	140	147.1 Å²	147.1	69%	0.69	76%	0.758	S	S	*	*			cis	-147	174.4	-8.7	-52.6	-65.6	-85.4	0	0	107.2
1057	H	27.2	Very low	27	Very low	127 Å²	127	147 Å²	147	59%	0.588	76%	0.76	S	S	*	*			cis	-151.9	172.2	-26.9	-116.2	-126.4	0	0	0	105.6
1058	E	25.8	Very low	26.8	Very low	152 Å²	152	146.8 Å²	146.8	71%	0.71	76%	0.759	S	S	*	*				45.9	141.9	83.6	-42.9	-171.6	154.3	0	0	116
1059	E	27.4	Very low	26.8	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	77%	0.769	S	S	*	*			cis	-149.6	129.5	15	-155.7	170.3	-179.7	0	0	109.8
1060	F	25.2	Very low	26.7	Very low	183 Å²	183	150.7 Å²	150.7	80%	0.803	76%	0.762	S	S	*	*				55.8	110.9	85	-111.1	-72.1	0	0	0	117.7
1061	T	27	Very low	26.8	Very low	135 Å²	135	148 Å²	148	83%	0.828	75%	0.747	S	S	*	*				172.9	-174.1	124.3	36.1	0	0	0	0	113
1062	K	27.2	Very low	26.6	Very low	183 Å²	183	147 Å²	147	80%	0.796	73%	0.734	S	S	*	*			trans	-117.4	-176.1	-168.8	-55.3	174.6	-177.5	173.4	0	109.8
1063	T	26.3	Very low	26.8	Very low	115 Å²	115	147.7 Å²	147.7	71%	0.706	73%	0.731	S	S	*	*			cis	-172.2	174.6	36.5	-23.4	0	0	0	0	111.5
1064	N	28.8	Very low	26.9	Very low	133 Å²	133	145 Å²	145	71%	0.711	72%	0.723	S	S	*	*			trans	73.3	123	166.1	-59.2	7.9	0	0	0	115.9
1065	E	25	Very low	27	Very low	171 Å²	171	146 Å²	146	80%	0.799	72%	0.724	S	S	*	*			cis	87.9	94.2	49.1	-75.6	-171.8	-176.6	0	0	114.5
1066	H	29.1	Very low	27.1	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.755	73%	0.726	S	S	*	*				-165.8	134.9	123	-124.5	-116.2	0	0	0	115.4
1067	H	29.2	Very low	27.2	Very low	160 Å²	160	147.3 Å²	147.3	74%	0.741	73%	0.729	S	S	*	*			trans	52.9	106.3	146.4	-81	55.4	0	0	0	122.8
1068	Q	24.9	Very low	27.1	Very low	167 Å²	167	150.2 Å²	150.2	78%	0.78	74%	0.743	S	S	*	*			trans	-59.4	140	149.9	168.3	-175.3	33.2	0	0	113.6
1069	L	26.9	Very low	27.1	Very low	170 Å²	170	150.1 Å²	150.1	89%	0.89	75%	0.746	S	S	*	*			trans	-168.7	170.4	136.9	-103.7	169.5	0	0	0	110.6
1070	Q	27.6	Very low	26.9	Very low	149 Å²	149	147.5 Å²	147.5	70%	0.696	75%	0.745	S	S	*	*			trans	-155.7	163.1	-146.3	179.3	177.4	-2.7	0	0	115
1071	L	26.7	Very low	26.9	Very low	112 Å²	112	143 Å²	143	59%	0.586	73%	0.733	S	S	*	*			trans	75.3	130.5	163.4	-90.1	156.6	0	0	0	115
1072	M	23.5	Very low	26.8	Very low	101 Å²	101	141.5 Å²	141.5	50%	0.498	72%	0.723	S	S	.	*				-168.3	159.8	50.2	-100.5	-97.8	-86.1	0	0	114.3	H1018 L1019	H1018-M1072 VanDerWaalsContact CE1-SD 3.55Å; L1019-M1072 HydrophobicContact CD1-CE 3.67Å; L1019-M1072 HydrophobicContact CD1-SD 3.99Å
1073	K	29.9	Very low	26.9	Very low	171 Å²	171	138.3 Å²	138.3	74%	0.743	71%	0.714	S	S	*	*			trans	67.6	116	164.6	-67.8	179.7	178.6	-169.5	0	116.8
1074	S	26.6	Very low	27	Very low	90 Å²	90	138.7 Å²	138.7	63%	0.629	71%	0.712	S	S	*	*				100	142.5	57.4	83.6	0	0	0	0	110.5
1075	D	29.2	Very low	26.8	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	71%	0.706	S	S	*	*			cis	-140	167.6	19.2	-79.8	-76.9	0	0	0	114.5
1076	E	28.6	Very low	27	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.762	71%	0.711	S	S	*	*			trans	67.1	124	154	-82.6	-173	-153.7	0	0	125.4
1077	N	29.5	Very low	26.8	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	71%	0.713	S	S	*	*			trans	84.7	153.6	138.5	-67	-33.3	0	0	0	122.3
1078	E	25.2	Very low	26.7	Very low	188 Å²	188	134.3 Å²	134.3	88%	0.879	71%	0.714	S	S	*	*			trans	-108.3	175.1	-151.9	-60.3	-171.7	108.4	0	0	115.4
1079	L	25.3	Very low	26.9	Very low	150 Å²	150	134.5 Å²	134.5	79%	0.785	72%	0.717	S	S	*	*			trans	90.1	84.1	146.5	-148.9	74.6	0	0	0	118.9
1080	C	24.1	Very low	27	Very low	113 Å²	113	130.2 Å²	130.2	76%	0.764	71%	0.706	S	S	*	*			trans	49.9	88.3	136.3	-61.9	0	0	0	0	118.7
1081	T	24.2	Very low	27	Very low	88 Å²	88	130.1 Å²	130.1	54%	0.54	71%	0.709	S	S	.	*			trans	-148.5	94.8	133.8	3.4	0	0	0	0	110.6	V1137	T1081-V1137 WeakPolarHBondContact CG2-O 3.34Å; T1081-V1137 WeakPolarHBondContact O-CG1 3.19Å
1082	V	25.8	Very low	27.2	Very low	103 Å²	103	127.7 Å²	127.7	62%	0.624	71%	0.712	S	S	*	*			trans	-66.9	140.9	165.4	58.5	0	0	0	0	108.5	A1138 L1139	V1082-A1138 CarbonylContact O-C 3.5Å; V1082-L1139 CarbonylContact C-O 3.59Å; V1082-L1139 CarbonylContact O-C 3.57Å; V1082-L1139 WeakPolarHBondContact O-CA 3.33Å; V1082-L1139 PolarHBondContact O-N 3.42Å
1083	I	28.6	Very low	27.6	Very low	116 Å²	116	130.1 Å²	130.1	60%	0.595	72%	0.722	S	S	*	*			cis	-147.9	-94.5	-28.7	-173.8	168.3	0	0	0	110.9	L1139	I1083-L1139 HydrophobicContact CG2-CB 4.19Å; I1083-L1139 HydrophobicContact CG2-CD1 4.24Å; I1083-L1139 VanDerWaalsContact N-N 3.19Å
1084	N	27.4	Very low	27.7	Very low	124 Å²	124	128.8 Å²	128.8	66%	0.663	72%	0.721	S	S	*	*			trans	-160.2	160.7	177.3	-168.3	15.7	0	0	0	111.6	L1139	N1084-L1139 WeakPolarHBondContact O-CD1 3.29Å; N1084-L1139 WeakPolarHBondContact O-CG 3.46Å
1085	A	26.1	Very low	27.9	Very low	73 Å²	73	127.7 Å²	127.7	60%	0.603	72%	0.724	S	S	*	*			trans	-74.9	172.6	-179.6	0	0	0	0	0	114
1086	N	27.5	Very low	28.1	Very low	169 Å²	169	126.8 Å²	126.8	90%	0.904	72%	0.719	S	S	*	*			trans	-137.2	138.7	-174.9	-124.3	-4.3	0	0	0	112.4
1087	L	25.6	Very low	28.2	Very low	152 Å²	152	125.3 Å²	125.3	80%	0.796	71%	0.712	S	S	*	*			trans	-130.8	109.8	-179.9	-98.6	172	0	0	0	113.1
1088	N	27.8	Very low	28.2	Very low	141 Å²	141	121.9 Å²	121.9	75%	0.754	71%	0.71	S	S	*	*				61.5	156.8	128.5	-98.6	-28.8	0	0	0	124.5
1089	M	28	Very low	28.3	Very low	171 Å²	171	120.1 Å²	120.1	84%	0.842	70%	0.702	S	S	*	*			trans	71	154.7	160.9	-73.9	-159.7	-54.6	0	0	118.2
1090	A	30.6	Very low	28.5	Very low	79 Å²	79	117.3 Å²	117.3	65%	0.653	70%	0.695	S	S	*	*			cis	-173	169.2	-12.6	0	0	0	0	0	107.5
1091	L	26.5	Very low	28.6	Very low	147 Å²	147	118.8 Å²	118.8	77%	0.77	69%	0.694	S	S	*	*			cis	-160.5	-179.8	-21.3	-102.5	165.1	0	0	0	104.8	E1093	L1091-E1093 WeakPolarHBondContact CB-OE1 3.26Å
1092	G	31.4	Very low	28.7	Very low	62 Å²	62	125.6 Å²	125.6	64%	0.639	71%	0.709	S	S	*	*			cis	-171	-144.2	6.9	0	0	0	0	0	106.4
1093	E	31.8	Very low	28.6	Very low	151 Å²	151	126.8 Å²	126.8	71%	0.706	71%	0.708	S	S	*	*			cis	172.1	159.7	-12.7	-108.4	167.3	-84.8	0	0	105	L1091	L1091-E1093 WeakPolarHBondContact CB-OE1 3.26Å
1094	I	32.1	Very low	28.5	Very low	144 Å²	144	128.6 Å²	128.6	74%	0.738	71%	0.714	S	S	*	*			cis	-136.5	155.2	8.7	-57.5	175.3	0	0	0	105
1095	G	31.2	Very low	28.5	Very low	66 Å²	66	128.9 Å²	128.9	68%	0.68	71%	0.714	S	S	*	*			cis	164.1	-169.6	6.6	0	0	0	0	0	109.1
1096	N	32.5	Very low	28.5	Very low	123 Å²	123	133.6 Å²	133.6	66%	0.658	72%	0.721	S	S	*	*			cis	-164.7	164	-9.9	-101.7	17.3	0	0	0	105.4
1097	E	30.7	Very low	28.3	Very low	131 Å²	131	134 Å²	134	61%	0.612	72%	0.717	S	S	*	*			cis	-153.9	-159.1	2.8	-125.5	173	-73.6	0	0	108.6	Q1099	E1097-Q1099 PolarHBondContact OE2-NE2 2.7Å
1098	G	29.9	Very low	28.4	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	71%	0.711	S	S	*	*			cis	109.3	165.3	12.4	0	0	0	0	0	112.8
1099	Q	28.2	Very low	28.3	Very low	150 Å²	150	132.4 Å²	132.4	70%	0.701	72%	0.716	S	S	*	*			cis	-159.7	171.1	-5.8	-129.2	-160.8	78.8	0	0	112.4	E1097	E1097-Q1099 PolarHBondContact OE2-NE2 2.7Å
1100	S	28.6	Very low	28.2	Very low	92 Å²	92	129.7 Å²	129.7	64%	0.643	71%	0.709	S	S	*	*			trans	63.4	123.8	172.7	-64.6	0	0	0	0	117.7
1101	I	26.6	Very low	27.9	Very low	143 Å²	143	133.7 Å²	133.7	73%	0.733	71%	0.714	S	S	*	*			cis	68.4	115.1	11.1	-40	173.8	0	0	0	116.1
1102	R	25.1	Very low	28	Very low	231 Å²	231	134.2 Å²	134.2	87%	0.872	72%	0.717	S	S	*	*			trans	162	152.2	137.5	-92.9	-178.6	174.8	-179.3	0.6	111.3
1103	H	24.8	Very low	27.9	Very low	129 Å²	129	137 Å²	137	60%	0.597	72%	0.721	S	S	*	*			cis	-173.2	168.1	-26.6	-132.1	-129.9	0	0	0	109
1104	H	26.2	Very low	27.7	Very low	153 Å²	153	137.4 Å²	137.4	71%	0.708	72%	0.72	S	S	*	*			trans	75.8	145.7	140.2	-86.1	-31.2	0	0	0	125.8
1105	I	27.2	Very low	27.7	Very low	131 Å²	131	135 Å²	135	67%	0.672	71%	0.714	S	S	*	*			trans	93.6	111.6	133	-77	165.2	0	0	0	121.2
1106	F	26	Very low	27.7	Very low	171 Å²	171	134.6 Å²	134.6	75%	0.75	70%	0.695	S	S	*	*			trans	51.3	151	138.8	-79.8	-99.6	0	0	0	125.5
1107	H	24.6	Very low	27.5	Very low	177 Å²	177	131.9 Å²	131.9	82%	0.819	68%	0.68	S	S	*	*			trans	69.7	161.9	142.6	-80.6	-46.2	0	0	0	120.8
1108	G	27.8	Very low	27.5	Very low	66 Å²	66	129 Å²	129	68%	0.68	67%	0.669	S	S	*	*			trans	94.5	104	177.3	0	0	0	0	0	111.6
1109	K	24.4	Very low	27.4	Very low	195 Å²	195	130.7 Å²	130.7	85%	0.848	67%	0.67	S	S	*	*				67.8	137.9	52.9	-69.4	-167	171.5	-174.5	0	115.1
1110	T	25.2	Very low	27.3	Very low	113 Å²	113	128.7 Å²	128.7	69%	0.693	67%	0.671	S	S	*	*			trans	68.2	121.9	145.8	42.2	0	0	0	0	120.7
1111	E	25.8	Very low	27.2	Very low	164 Å²	164	129.1 Å²	129.1	77%	0.766	67%	0.674	S	S	*	*			trans	94.6	123.9	134.7	-71.8	168.9	-162.3	0	0	121
1112	L	27.1	Very low	27.2	Very low	158 Å²	158	129.7 Å²	129.7	83%	0.827	68%	0.679	S	S	*	*			trans	52.3	127.7	145.6	-82.8	69.3	0	0	0	118.9
1113	V	30.3	Very low	27.3	Very low	119 Å²	119	125.6 Å²	125.6	72%	0.721	67%	0.672	S	S	*	*			cis	-135.4	125.8	2.9	-174.2	0	0	0	0	105.3
1114	K	26.8	Very low	27.4	Very low	160 Å²	160	125.1 Å²	125.1	70%	0.696	68%	0.684	S	S	*	*				51.3	145.1	88.6	-97.9	-153.3	142.2	-90.1	0	114.8	E1116	K1114-E1116 IonicContact NZ-OE1 2.72Å; K1114-E1116 PolarHBondContact NZ-OE1 3.29Å; K1114-E1116 IonicContact NZ-OE2 3.94Å
1115	P	33.6	Very low	27.3	Very low	93 Å²	93	125 Å²	125	60%	0.604	69%	0.688	S	S	*	*			trans	-118.2	-153.6	-141.2	17	12	0	0	0	110.7
1116	E	29.6	Very low	27.3	Very low	59 Å²	59	123.8 Å²	123.8	28%	0.276	69%	0.691	S	S	.	*				175.6	137.9	64.1	-100.7	141	-153.9	0	0	108.9	I18 N19 P20 K1114	I18-E1116 WeakPolarHBondContact O-CG 3.48Å; N19-E1116 WeakPolarHBondContact O-CB 3.16Å; P20-E1116 WeakPolarHBondContact CA-O 3.41Å; P20-E1116 VanDerWaalsContact CB-O 3.23Å; P20-E1116 WeakPolarHBondContact CB-O 3.48Å; K1114-E1116 IonicContact NZ-OE1 2.72Å; K1114-E1116 PolarHBondContact NZ-OE1 3.29Å; K1114-E1116 IonicContact NZ-OE2 3.94Å
1117	D	28.5	Very low	27.3	Very low	66 Å²	66	124.4 Å²	124.4	35%	0.353	69%	0.694	S	S	.	*			trans	58.3	176	134.4	-73	30.5	0	0	0	124.2	I18 N19 P20	I18-D1117 WeakPolarHBondContact CA-OD2 2.98Å; I18-D1117 WeakPolarHBondContact CG1-OD2 3.35Å; N19-D1117 PolarHBondContact N-OD2 3.45Å; P20-D1117 WeakPolarHBondContact CB-O 3.29Å; P20-D1117 HydrophobicContact CG-CB 3.95Å
1118	N	30.9	Very low	27.4	Very low	71 Å²	71	124.7 Å²	124.7	38%	0.38	70%	0.699	S	S	.	*			cis	-144.4	140.9	-11.5	-133.4	-31.6	0	0	0	115.1	N19 P20	N19-N1118 PolarHBondContact OD1-ND2 2.77Å; P20-N1118 HydrophobicContact CG-CB 4.45Å
1119	S	28.5	Very low	27.3	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	70%	0.702	S	S	*	*			trans	58.5	162.1	144.5	89.5	0	0	0	0	121
1120	C	26.2	Very low	27.5	Very low	109 Å²	109	121.8 Å²	121.8	74%	0.736	69%	0.691	S	S	*	*			cis	-141.8	122.7	4.8	-157.5	0	0	0	0	112.4
1121	S	26.5	Very low	27.6	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	70%	0.698	S	S	*	*			trans	-101.1	145.9	142	61	0	0	0	0	107.5
1122	N	26.5	Very low	27.7	Very low	154 Å²	154	120.2 Å²	120.2	82%	0.824	70%	0.695	S	S	*	*			trans	-153.2	140.1	137.3	-110.4	-31.3	0	0	0	115.1
1123	I	26.9	Very low	27.7	Very low	145 Å²	145	120.8 Å²	120.8	74%	0.744	70%	0.698	S	S	*	*			trans	-91.5	149.6	159.9	-66.2	161.9	0	0	0	105.9	N1125	I1123-N1125 HydrophobicContact CG2-CB 3.99Å
1124	S	26.3	Very low	27.5	Very low	119 Å²	119	124.7 Å²	124.7	83%	0.832	71%	0.706	S	S	*	*			trans	-118.9	126.2	161.5	52.8	0	0	0	0	110.3
1125	N	25.3	Very low	27.7	Very low	151 Å²	151	120 Å²	120	81%	0.807	70%	0.703	S	S	*	*			trans	-160.4	91.3	-169.9	-163.3	16.8	0	0	0	110.5	I1123	I1123-N1125 HydrophobicContact CG2-CB 3.99Å
1126	S	26.3	Very low	27.5	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	71%	0.713	S	S	*	*			trans	-158.2	129.9	173.7	48.9	0	0	0	0	108.8
1127	K	26.3	Very low	27.3	Very low	185 Å²	185	124 Å²	124	80%	0.804	72%	0.724	S	S	*	*				65.6	117.6	54	-70.5	-168	173.5	-176.3	0	114
1128	I	26.7	Very low	27.2	Very low	182 Å²	182	124.3 Å²	124.3	93%	0.933	74%	0.736	S	S	*	*			trans	-111.7	144.4	149	-67.6	176.9	0	0	0	106.5
1129	L	25	Very low	27	Very low	141 Å²	141	122.6 Å²	122.6	74%	0.738	73%	0.727	S	S	*	*			trans	-156.5	147.2	-172.3	-179.1	148.4	0	0	0	110.6
1130	G	28.2	Very low	27	Very low	59 Å²	59	122.8 Å²	122.8	61%	0.608	72%	0.716	S	S	*	*			trans	110.3	158.7	164.4	0	0	0	0	0	114.8
1131	N	29.1	Very low	27.2	Very low	158 Å²	158	121.7 Å²	121.7	85%	0.845	71%	0.71	S	S	*	*			cis	-148.8	-180	-9	-74.6	-49.3	0	0	0	106.8
1132	A	27.8	Very low	27.3	Very low	86 Å²	86	125.2 Å²	125.2	71%	0.711	71%	0.712	S	S	*	*			cis	-155.1	163.1	9	0	0	0	0	0	110.4
1133	L	26.7	Very low	27.2	Very low	171 Å²	171	125.9 Å²	125.9	90%	0.895	71%	0.711	S	S	*	*			trans	-174	152.4	134	-105	168.1	0	0	0	109.5
1134	F	26.7	Very low	27.3	Very low	201 Å²	201	125 Å²	125	88%	0.882	72%	0.715	S	S	*	*			trans	-153	135.2	178.5	-126.2	-69.4	0	0	0	112.4
1135	G	30.6	Very low	27.2	Very low	62 Å²	62	127.3 Å²	127.3	64%	0.639	71%	0.71	S	S	*	*			trans	104.4	146.1	159.6	0	0	0	0	0	117.2
1136	N	28	Very low	27.2	Very low	149 Å²	149	125.6 Å²	125.6	80%	0.797	70%	0.699	S	S	*	*			cis	-171.1	121.9	-20.1	-123.7	9.9	0	0	0	111.7
1137	V	25.3	Very low	27.2	Very low	85 Å²	85	127.9 Å²	127.9	52%	0.515	70%	0.704	S	S	.	*			trans	-150.3	150.1	156.9	-178.5	0	0	0	0	107.6	T1081	T1081-V1137 WeakPolarHBondContact CG2-O 3.34Å; T1081-V1137 WeakPolarHBondContact O-CG1 3.19Å
1138	A	27.6	Very low	27.1	Very low	73 Å²	73	121.7 Å²	121.7	60%	0.603	68%	0.683	S	S	*	*			trans	-160	130.5	-172.5	0	0	0	0	0	116.9	V1082	V1082-A1138 CarbonylContact O-C 3.5Å
1139	L	27.4	Very low	26.9	Very low	36 Å²	36	120.1 Å²	120.1	19%	0.188	68%	0.676	C	S	.	*			trans	-167.9	113	150.1	-142.2	-126.9	0	0	0	113	V1082 I1083 N1084	V1082-L1139 CarbonylContact C-O 3.59Å; V1082-L1139 CarbonylContact O-C 3.57Å; V1082-L1139 WeakPolarHBondContact O-CA 3.33Å; V1082-L1139 PolarHBondContact O-N 3.42Å; I1083-L1139 HydrophobicContact CG2-CB 4.19Å; I1083-L1139 HydrophobicContact CG2-CD1 4.24Å; I1083-L1139 VanDerWaalsContact N-N 3.19Å; N1084-L1139 WeakPolarHBondContact O-CD1 3.29Å; N1084-L1139 WeakPolarHBondContact O-CG 3.46Å
1140	Q	27.5	Very low	27	Very low	106 Å²	106	122.4 Å²	122.4	50%	0.495	68%	0.683	S	S	.	*			trans	11	135.2	152.6	-52.9	163.2	-0.9	0	0	121.1	H4	H4-Q1140 PolarHBondContact CE1-OE1 3.35Å; H4-Q1140 PolarHBondContact NE2-OE1 3.49Å
1141	S	30.9	Very low	26.9	Very low	87 Å²	87	125.5 Å²	125.5	61%	0.608	69%	0.69	S	S	*	*				-171.8	149.5	89.6	65.2	0	0	0	0	114.9
1142	K	27.8	Very low	26.7	Very low	174 Å²	174	123.1 Å²	123.1	76%	0.757	69%	0.686	S	S	*	*			trans	60.9	100.7	170.6	-59.5	-171.1	177.5	-171.2	0	116.8
1143	Q	25.6	Very low	26.7	Very low	169 Å²	169	123.9 Å²	123.9	79%	0.79	69%	0.686	S	S	*	*				72.8	130.5	83.1	-84.4	-164.8	-16.1	0	0	115.8
1144	P	27.9	Very low	26.7	Very low	127 Å²	127	122.3 Å²	122.3	83%	0.825	68%	0.679	S	S	*	*				-133.3	175.3	115.3	40	-32.9	0	0	0	115.5
1145	F	24.6	Very low	26.6	Very low	166 Å²	166	118.1 Å²	118.1	73%	0.728	66%	0.66	S	S	*	*			trans	-66.9	164.7	170.4	-84.3	-148.2	0	0	0	112.6
1146	I	26	Very low	26.4	Very low	115 Å²	115	119.1 Å²	119.1	59%	0.59	66%	0.663	S	S	*	*			cis	-158.4	157.6	-12.4	-119.2	-179.8	0	0	0	108.6
1147	N	25.5	Very low	26.4	Very low	154 Å²	154	122 Å²	122	82%	0.824	66%	0.663	S	S	*	*			trans	-162.2	115.5	134.6	-97	-24.3	0	0	0	107.4
1148	S	24.5	Very low	26.6	Very low	54 Å²	54	121.7 Å²	121.7	38%	0.378	66%	0.657	S	S	.	*				76.4	69.3	57.3	-175.4	0	0	0	0	114	H134	H134-S1148 PolarHBondContact CE1-OG 2.94Å
1149	L	23.3	Very low	26.4	Very low	150 Å²	150	122.2 Å²	122.2	79%	0.785	66%	0.662	S	S	*	*				-167.2	118.8	117.3	-129.1	75.5	0	0	0	111.5
1150	Q	26.7	Very low	26.4	Very low	188 Å²	188	124.5 Å²	124.5	88%	0.879	69%	0.685	S	S	*	*			trans	-158.9	120.1	140.8	-124	-179.6	-7.4	0	0	113.7
1151	T	25.8	Very low	26.5	Very low	124 Å²	124	128.3 Å²	128.3	76%	0.761	70%	0.695	S	S	*	*			trans	-53.6	149.1	146.2	44.3	0	0	0	0	110.9
1152	S	25.1	Very low	26.1	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	70%	0.699	S	S	*	*			cis	-166.9	143.6	-2.3	46.3	0	0	0	0	110.8
1153	S	27.9	Very low	26	Very low	101 Å²	101	131 Å²	131	71%	0.706	71%	0.705	S	S	*	*			trans	-147	111.3	161.4	-176.8	0	0	0	0	111.8
1154	N	26.3	Very low	25.9	Very low	139 Å²	139	126.7 Å²	126.7	74%	0.743	69%	0.694	S	S	*	*			trans	-93.9	4.7	178.1	-101	-39.2	0	0	0	113.6
1155	F	24.1	Very low	25.8	Very low	112 Å²	112	126.7 Å²	126.7	49%	0.491	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-90.3	-14.5	-172.1	-102.3	-92.8	0	0	0	115.6	P97 R1157	P97-F1155 HydrophobicContact CG-CZ 3.99Å; F1155-R1157 VanDerWaalsContact C-N 3.33Å; F1155-R1157 PolarHBondContact O-N 2.76Å
1156	A	26.9	Very low	25.9	Very low	84 Å²	84	124.8 Å²	124.8	69%	0.694	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-78.6	-5.9	-179.1	0	0	0	0	0	115.4
1157	R	28.8	Very low	26	Very low	210 Å²	210	124.8 Å²	124.8	79%	0.792	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-105.9	-12.5	-176.4	-57.6	-171.8	82.9	167.4	7.5	114.9	F1155	F1155-R1157 VanDerWaalsContact C-N 3.33Å; F1155-R1157 PolarHBondContact O-N 2.76Å
1158	I	27.7	Very low	26	Very low	77 Å²	77	124.7 Å²	124.7	40%	0.395	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-36.8	178.4	-65.8	176.8	0	0	0	111	A1160 W1161 V1162	I1158-A1160 PolarHBondContact O-N 3.38Å; I1158-A1160 VanDerWaalsContact O-N 3.15Å; I1158-W1161 PolarHBondContact O-N 3.14Å; I1158-W1161 VanDerWaalsContact O-N 3.16Å; I1158-V1162 HydrophobicContact CG2-CG2 4.2Å
1159	A	23.9	Very low	26.1	Very low	85 Å²	85	129 Å²	129	70%	0.702	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-28.4	179.1	0	0	0	0	0	114.3
1160	A	28	Very low	26.2	Very low	83 Å²	83	131 Å²	131	69%	0.686	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-14.9	-178.9	0	0	0	0	0	114.6	I1158	I1158-A1160 PolarHBondContact O-N 3.38Å; I1158-A1160 VanDerWaalsContact O-N 3.15Å
1161	W	28.6	Very low	26.2	Very low	187 Å²	187	128.3 Å²	128.3	71%	0.708	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-29.2	-175.5	-171.3	42.8	0	0	0	113.5	I1158 K1163 S1164	I1158-W1161 PolarHBondContact O-N 3.14Å; I1158-W1161 VanDerWaalsContact O-N 3.16Å; W1161-K1163 PolarHBondContact O-N 2.76Å; W1161-S1164 PolarHBondContact O-N 3.05Å
1162	V	23.4	Very low	26.2	Very low	114 Å²	114	127.2 Å²	127.2	69%	0.691	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-16.4	-175.6	175.4	0	0	0	0	113.5	I1158	I1158-V1162 HydrophobicContact CG2-CG2 4.2Å
1163	K	24.4	Very low	26.2	Very low	203 Å²	203	129.8 Å²	129.8	88%	0.883	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	7.2	180	-90.6	-175.9	174.7	178.2	0	116.2	W1161	W1161-K1163 PolarHBondContact O-N 2.76Å
1164	S	24.8	Very low	26.3	Very low	78 Å²	78	133.3 Å²	133.3	55%	0.545	71%	0.711	S	S	.	*	S	Bend	trans	-152.2	80.3	172.8	65.6	0	0	0	0	115.2	W1161	W1161-S1164 PolarHBondContact O-N 3.05Å
1165	V	26.5	Very low	26.5	Very low	128 Å²	128	131.7 Å²	131.7	78%	0.776	71%	0.711	S	S	*	*				179.1	118.7	128.9	149.5	0	0	0	0	109.6
1166	S	25.7	Very low	26.8	Very low	126 Å²	126	130 Å²	130	88%	0.881	73%	0.725	S	S	*	*			trans	-152.8	130.7	147.4	-79.7	0	0	0	0	106.3
1167	V	28.1	Very low	27.1	Very low	115 Å²	115	131.1 Å²	131.1	70%	0.697	73%	0.725	S	S	*	*			trans	-97.8	125.8	-166.4	167.5	0	0	0	0	109.9
1168	E	24.9	Very low	27.1	Very low	152 Å²	152	128.1 Å²	128.1	71%	0.71	73%	0.725	S	S	*	*			trans	38	121.4	150.4	-59.2	168.4	161.4	0	0	118.8
1169	T	27.8	Very low	27.7	Very low	145 Å²	145	134.2 Å²	134.2	89%	0.89	75%	0.752	S	S	*	*				-144.5	137.6	117.4	-24	0	0	0	0	111.4
1170	Y	23.9	Very low	27.8	Very low	192 Å²	192	134.7 Å²	134.7	75%	0.753	75%	0.75	S	S	*	*			trans	-59.1	160.2	161	-72.2	-103.2	0	0	0	110
1171	N	27.3	Very low	27.6	Very low	131 Å²	131	136.5 Å²	136.5	70%	0.701	75%	0.752	S	S	*	*			cis	-140.6	152.9	18.4	-93.8	-30.2	0	0	0	107.8
1172	T	27	Very low	27.5	Very low	101 Å²	101	135.5 Å²	135.5	62%	0.62	76%	0.756	S	S	*	*				50.7	139.9	67.7	62.7	0	0	0	0	115.5
1173	Q	25.2	Very low	27.5	Very low	162 Å²	162	134.8 Å²	134.8	76%	0.757	76%	0.755	S	S	*	*			cis	-148.5	164.5	-17.6	-93.3	153.8	-91.5	0	0	105.7
1174	E	30.1	Very low	27.6	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.822	75%	0.747	S	S	*	*				155.4	164.9	92.4	-80.1	-167.2	157	0	0	108.3
1175	S	29.9	Very low	27.5	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	76%	0.756	S	S	*	*			cis	-165.9	116.4	-43.4	55.8	0	0	0	0	112.4
1176	G	29.6	Very low	27.4	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	76%	0.756	S	S	*	*			trans	70.6	180	161.9	0	0	0	0	0	118.7
1177	P	32.7	Very low	27.4	Very low	106 Å²	106	137.1 Å²	137.1	69%	0.688	75%	0.753	S	S	*	*			cis	-124.9	151	6.9	38.9	-24.4	0	0	0	117.3
1178	N	29.2	Very low	27.3	Very low	147 Å²	147	141 Å²	141	79%	0.786	76%	0.761	S	S	*	*	S	Bend	trans	64.5	93.5	153.3	-62.4	-7.3	0	0	0	121.5	S1180	N1178-S1180 PolarHBondContact O-N 3.43Å
1179	Q	40	Very low	27.7	Very low	206 Å²	206	138.8 Å²	138.8	96%	0.963	76%	0.76	S	S	*	*	S	Bend	trans	58.6	37.5	155.3	-59.5	-169.2	2.1	0	0	116.7
1180	S	26.7	Very low	27.4	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	75%	0.753	S	S	*	*			trans	-147	159.2	-174.4	57.8	0	0	0	0	112.5	N1178	N1178-S1180 PolarHBondContact O-N 3.43Å
1181	V	24.6	Very low	27.5	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	75%	0.748	S	S	*	*			cis	-172.1	138.6	-41.5	124.3	0	0	0	0	106
1182	E	25.2	Very low	27.4	Very low	166 Å²	166	137.5 Å²	137.5	78%	0.776	75%	0.749	S	S	*	*			trans	28.5	114.6	155.2	-53.3	-179.7	121	0	0	122.8
1183	S	24.5	Very low	27.4	Very low	98 Å²	98	137.3 Å²	137.3	69%	0.685	75%	0.752	S	S	*	*				87.2	153.5	119.1	82.5	0	0	0	0	123.8
1184	N	25.6	Very low	27.5	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	75%	0.753	S	S	*	*			trans	80.3	103.4	143.1	-66.4	-22.8	0	0	0	124.4
1185	L	24.1	Very low	27.6	Very low	143 Å²	143	134.3 Å²	134.3	75%	0.749	75%	0.751	S	S	*	*				84.5	115.5	113.4	-73.4	168.9	0	0	0	124.2
1186	I	24.1	Very low	27.7	Very low	152 Å²	152	136 Å²	136	78%	0.779	75%	0.751	S	S	*	*			trans	73.3	151.3	143.7	6.9	-178.7	0	0	0	125.3
1187	I	25.6	Very low	27.4	Very low	159 Å²	159	137.4 Å²	137.4	82%	0.815	75%	0.747	S	S	*	*			trans	90.4	145.2	159.7	-30.7	-164.8	0	0	0	119
1188	K	25.8	Very low	27.2	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	75%	0.75	S	S	*	*			trans	-106.6	-161.3	178.7	-47.6	173.5	-177.9	170.1	0	109
1189	P	32.9	Very low	27.2	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	75%	0.752	S	S	*	*			cis	-137	-168.8	-14.9	43	-24.4	0	0	0	115.1
1190	R	22.2	Very low	26.9	Very low	200 Å²	200	133 Å²	133	76%	0.755	74%	0.738	S	S	*	*			trans	77.7	131.7	147	-83.6	-179.1	123.9	147.8	-0.8	123.6
1191	E	26.1	Very low	27	Very low	139 Å²	139	136.3 Å²	136.3	65%	0.65	74%	0.741	S	S	*	*			trans	70.5	116.2	131.7	-74.3	159.7	-172	0	0	124.7
1192	S	25.5	Very low	27.3	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	73%	0.734	S	S	*	*			trans	51.2	101.3	133.3	64.5	0	0	0	0	123.4
1193	S	26.7	Very low	27.4	Very low	98 Å²	98	134.9 Å²	134.9	69%	0.685	73%	0.73	S	S	*	*				54.1	139.2	117	66.1	0	0	0	0	124.4
1194	T	27.1	Very low	27.8	Very low	126 Å²	126	136.7 Å²	136.7	77%	0.773	74%	0.737	S	S	*	*			trans	70.5	137.2	146.3	48.2	0	0	0	0	121.8
1195	N	31.9	Very low	27.8	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	74%	0.74	S	S	*	*			trans	-177.7	167.4	148.3	-88.1	-26.7	0	0	0	107.9
1196	I	31.2	Very low	27.9	Very low	139 Å²	139	132.9 Å²	132.9	71%	0.713	74%	0.737	S	S	*	*			cis	-156.4	139.6	-36.2	-104	168.1	0	0	0	104.1
1197	C	24.9	Very low	28.2	Very low	107 Å²	107	133.7 Å²	133.7	72%	0.723	74%	0.737	S	S	*	*			cis	109	151.7	6.4	-150.8	0	0	0	0	116.1
1198	T	26.6	Very low	28.2	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	73%	0.733	S	S	*	*			trans	59	121.3	169.9	58.6	0	0	0	0	122.2
1199	T	29.9	Very low	28.3	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	73%	0.733	S	S	*	*				-159.7	140.9	121.3	30.4	0	0	0	0	106.5
1200	T	33.3	Very low	28	Very low	111 Å²	111	133.9 Å²	133.9	68%	0.681	74%	0.738	S	S	*	*			cis	-151.8	130	6.2	20.2	0	0	0	0	108.2
1201	K	30.4	Very low	28.1	Very low	164 Å²	164	129.5 Å²	129.5	71%	0.713	74%	0.736	S	S	*	*				73	144	92.2	-71	-176.4	159.7	-145	0	115.3
1202	H	30.6	Very low	28	Very low	128 Å²	128	132.8 Å²	132.8	59%	0.593	74%	0.744	S	S	*	*			cis	-158.7	159.1	-0.3	-96.2	-49.8	0	0	0	108.9
1203	D	27.3	Very low	28.2	Very low	129 Å²	129	132.9 Å²	132.9	69%	0.69	74%	0.744	S	S	*	*			cis	-124.7	-94.8	-43.5	-82.7	-24.2	0	0	0	111.1
1204	T	32	Very low	28	Very low	136 Å²	136	137.9 Å²	137.9	83%	0.834	75%	0.748	S	S	*	*			cis	-155.2	166.9	-2.5	-29.3	0	0	0	0	109.2
1205	S	24.9	Very low	28.2	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	75%	0.745	S	S	*	*			trans	-126.7	143.3	-159.2	61.7	0	0	0	0	119.6
1206	A	27.4	Very low	27.9	Very low	85 Å²	85	135.7 Å²	135.7	70%	0.702	73%	0.731	S	S	*	*			trans	61.2	126	142.8	0	0	0	0	0	122.5
1207	H	29.3	Very low	27.9	Very low	169 Å²	169	135.8 Å²	135.8	78%	0.782	73%	0.732	S	S	*	*				-171.8	149.3	110	-106.2	-55.4	0	0	0	115.1
1208	H	26.1	Very low	27.9	Very low	158 Å²	158	136.6 Å²	136.6	73%	0.731	73%	0.726	S	S	*	*			trans	44.9	150.1	146.1	-84.3	-58.2	0	0	0	126.2
1209	Q	28	Very low	28	Very low	179 Å²	179	137.8 Å²	137.8	84%	0.836	73%	0.727	S	S	*	*			trans	79.9	114.2	145.8	-82.5	172.6	-13.7	0	0	120.6
1210	T	26	Very low	28	Very low	129 Å²	129	139 Å²	139	79%	0.791	72%	0.723	S	S	*	*			trans	-54.2	135.4	147.5	47.4	0	0	0	0	112
1211	C	24	Very low	27.8	Very low	108 Å²	108	137.9 Å²	137.9	73%	0.73	72%	0.717	S	S	*	*			trans	-175.8	142	134.6	-99.7	0	0	0	0	113.9
1212	Y	25.9	Very low	27.8	Very low	208 Å²	208	136.4 Å²	136.4	82%	0.816	72%	0.716	S	S	*	*			trans	67.3	143.5	145.9	-81.4	-118.4	0	0	0	122.1
1213	C	27.9	Very low	27.8	Very low	103 Å²	103	138.7 Å²	138.7	70%	0.696	73%	0.725	S	S	*	*			trans	49.8	123.1	147.5	-67.8	0	0	0	0	119.6
1214	R	24	Very low	28	Very low	203 Å²	203	136.9 Å²	136.9	77%	0.766	72%	0.722	S	S	*	*			cis	53.1	98.4	30.8	-166.9	-170.3	-178.8	140.2	3.1	114.1
1215	N	30.8	Very low	27.8	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	71%	0.713	S	S	*	*				-168.4	140.1	125	-90.3	-11.2	0	0	0	107.8
1216	N	26	Very low	28	Very low	92 Å²	92	135.7 Å²	135.7	49%	0.492	71%	0.712	S	S	.	*			cis	68.1	106.4	45.4	-76.8	63.9	0	0	0	113.6	E1218	N1216-E1218 PolarHBondContact ND2-OE1 3.23Å
1217	L	30.1	Very low	28.1	Very low	142 Å²	142	140 Å²	140	74%	0.743	71%	0.71	S	S	*	*				-171	118.2	111.6	-110.5	50.8	0	0	0	104.8
1218	E	25.7	Very low	28.1	Very low	124 Å²	124	138 Å²	138	58%	0.579	70%	0.701	S	S	*	*				72.9	124.6	65.2	-66.2	155.9	-145	0	0	112.9	N1216	N1216-E1218 PolarHBondContact ND2-OE1 3.23Å
1219	N	29.4	Very low	28.3	Very low	147 Å²	147	139 Å²	139	79%	0.786	70%	0.703	S	S	*	*				-178.5	122.7	128.1	-85.7	-15.8	0	0	0	107.9
1220	E	28.1	Very low	28.3	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.743	70%	0.7	S	S	*	*				96.8	144.4	52.5	-82.8	-110.1	146.3	0	0	111.5
1221	T	30.7	Very low	28.9	Very low	88 Å²	88	136.4 Å²	136.4	54%	0.54	69%	0.694	S	S	.	*			cis	-161	177.1	-14.6	15.5	0	0	0	0	108.7	F1223	T1221-F1223 WeakPolarHBondContact O-CE2 3.47Å
1222	L	30	Very low	29.1	Very low	134 Å²	134	138.2 Å²	138.2	70%	0.702	69%	0.692	S	S	*	*			cis	-117.3	-103	-1.6	-142.5	177.5	0	0	0	111.6
1223	F	30.2	Very low	29	Very low	176 Å²	176	135.4 Å²	135.4	77%	0.772	69%	0.686	S	S	*	*			cis	-162	163.3	-5.3	-74.6	-77.6	0	0	0	106.7	T1221	T1221-F1223 WeakPolarHBondContact O-CE2 3.47Å
1224	S	30.8	Very low	28.9	Very low	91 Å²	91	137.8 Å²	137.8	64%	0.636	69%	0.689	S	S	*	*			cis	170.2	134.5	-45.7	53.4	0	0	0	0	107.8
1225	G	28.3	Very low	28.9	Very low	63 Å²	63	133.5 Å²	133.5	65%	0.649	69%	0.685	S	S	*	*			cis	-81.3	-162.2	-7	0	0	0	0	0	114.5
1226	E	29.1	Very low	28.6	Very low	155 Å²	155	138 Å²	138	72%	0.724	69%	0.692	S	S	*	*			cis	78.7	144.7	13.8	-51.1	-153.7	140	0	0	115.9
1227	R	29.5	Very low	28.6	Very low	176 Å²	176	138.9 Å²	138.9	66%	0.664	71%	0.705	S	S	*	*			cis	178.4	166.4	-4.2	-99	171.5	-162.8	-129.1	22.6	105.2
1228	H	30.1	Very low	28.4	Very low	128 Å²	128	142.1 Å²	142.1	59%	0.593	71%	0.708	S	S	*	*			cis	-132.8	-116	-6.4	-108.8	-44.4	0	0	0	110
1229	F	28.8	Very low	28.4	Very low	177 Å²	177	142.5 Å²	142.5	78%	0.776	72%	0.718	S	S	*	*			cis	-161.2	142.1	-8	-112.2	-48	0	0	0	113.1
1230	I	29.6	Very low	28.1	Very low	152 Å²	152	138.7 Å²	138.7	78%	0.779	70%	0.702	S	S	*	*			trans	64	145.8	151	-83.1	165.3	0	0	0	123.5
1231	P	38.1	Very low	27.9	Very low	102 Å²	102	137.9 Å²	137.9	66%	0.662	70%	0.703	S	S	*	*			trans	-143.7	-147.4	-152.3	38.2	-11.3	0	0	0	116.6
1232	H	27.2	Very low	27.8	Very low	147 Å²	147	144 Å²	144	68%	0.681	72%	0.718	S	S	*	*			trans	79.2	125.5	177.5	-76	-87.6	0	0	0	116.8
1233	Q	25.5	Very low	27.5	Very low	148 Å²	148	144.3 Å²	144.3	69%	0.692	72%	0.715	S	S	*	*				63.6	138.9	83	-68	-175.5	-6.8	0	0	113.8
1234	M	24.1	Very low	27.3	Very low	153 Å²	153	142.9 Å²	142.9	75%	0.754	72%	0.716	S	S	*	*			cis	-153.8	179.4	12.3	-131.9	178.5	-159	0	0	112.4
1235	T	24	Very low	27.5	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.693	72%	0.718	S	S	*	*			trans	-19.8	154.6	164.7	51.8	0	0	0	0	119.5
1236	R	25.2	Very low	27.3	Very low	231 Å²	231	148 Å²	148	87%	0.872	73%	0.731	S	S	*	*			cis	-169.2	157.6	25.7	-135	170	-176.5	-177.8	1	112.9
1237	S	25.3	Very low	27.3	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	73%	0.729	S	S	*	*			trans	14.7	135.5	146	177.8	0	0	0	0	120.7
1238	R	27.2	Very low	27.2	Very low	211 Å²	211	147.8 Å²	147.8	80%	0.796	74%	0.74	S	S	*	*			cis	-124.7	-106.3	13.6	-168.5	-168	162.6	172.3	-2.3	113.9	C1240	R1238-C1240 VanDerWaalsContact CZ-SG 3.55Å; R1238-C1240 PolarHBondContact NH2-SG 3.44Å
1239	V	25.1	Very low	26.9	Very low	131 Å²	131	146.4 Å²	146.4	79%	0.794	75%	0.745	S	S	*	*			cis	-152.1	167.9	0.6	72.5	0	0	0	0	111.5
1240	C	24.3	Very low	26.8	Very low	67 Å²	67	142.8 Å²	142.8	45%	0.453	74%	0.741	S	S	.	*			trans	-86	163.8	173.3	-57.5	0	0	0	0	110.9	R1238	R1238-C1240 VanDerWaalsContact CZ-SG 3.55Å; R1238-C1240 PolarHBondContact NH2-SG 3.44Å
1241	N	23.7	Very low	26.7	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	74%	0.741	S	S	*	*			cis	-161.2	151.6	-10.7	-108.7	11.2	0	0	0	106.3
1242	Y	28	Very low	26.2	Very low	216 Å²	216	148.2 Å²	148.2	85%	0.847	75%	0.747	S	S	*	*			trans	179.7	165	131.9	-112.3	-77.6	0	0	0	111.2
1243	E	22.6	Very low	26.3	Very low	141 Å²	141	148.5 Å²	148.5	66%	0.659	75%	0.752	S	S	*	*			trans	-78.9	154.6	-173.6	-48.9	129.5	126.6	0	0	112.8
1244	N	28	Very low	26.4	Very low	147 Å²	147	150.4 Å²	150.4	79%	0.786	76%	0.758	S	S	*	*				176.3	162	102.6	-98.5	-71.6	0	0	0	114.7
1245	A	34.1	Very low	26.5	Very low	81 Å²	81	149.6 Å²	149.6	67%	0.669	76%	0.755	S	S	*	*			trans	51.5	79.8	155.3	0	0	0	0	0	119.1
1246	I	24.2	Very low	26.8	Very low	179 Å²	179	147.8 Å²	147.8	92%	0.918	76%	0.76	S	S	*	*			trans	-82.5	107.2	149.9	-63	178.2	0	0	0	108.1
1247	I	27.9	Very low	27	Very low	133 Å²	133	145.5 Å²	145.5	68%	0.682	76%	0.756	S	S	*	*			trans	-131.4	138	170.5	-71.4	-175.3	0	0	0	110.5
1248	Q	28.4	Very low	27.3	Very low	195 Å²	195	146 Å²	146	91%	0.911	75%	0.749	S	S	*	*			trans	72.5	144.4	167.4	-80.2	170.7	9.3	0	0	120.1
1249	S	23.2	Very low	27.4	Very low	99 Å²	99	145.2 Å²	145.2	69%	0.692	75%	0.746	S	S	*	*			trans	-112.5	149.4	-173.6	53.3	0	0	0	0	112
1250	S	26.8	Very low	27.6	Very low	100 Å²	100	149.2 Å²	149.2	70%	0.699	75%	0.747	S	S	*	*			trans	27	107.4	144.7	62.7	0	0	0	0	120
1251	H	28.3	Very low	27.8	Very low	167 Å²	167	149.8 Å²	149.8	77%	0.773	76%	0.764	S	S	*	*			trans	-149.2	139.9	145	-96.7	-89.8	0	0	0	108.6
1252	Y	28.2	Very low	28.1	Very low	201 Å²	201	154.7 Å²	154.7	79%	0.788	77%	0.772	S	S	*	*			cis	-160	167.3	-10.8	-147.9	-133.2	0	0	0	110.7
1253	I	27.8	Very low	28.3	Very low	154 Å²	154	149.6 Å²	149.6	79%	0.79	77%	0.768	S	S	*	*			trans	-72.1	141.3	173.1	-66.3	168.5	0	0	0	110.7
1254	K	28.3	Very low	28.7	Very low	187 Å²	187	149.3 Å²	149.3	81%	0.813	78%	0.775	S	S	*	*			trans	-146.7	97.7	155.2	-146.8	167.4	-171.8	176.4	0	115.9
1255	I	26.4	Very low	29.2	Very low	136 Å²	136	147.9 Å²	147.9	70%	0.697	77%	0.774	S	S	*	*			trans	53	107.7	138.2	-51.7	171.1	0	0	0	117.7
1256	G	29.1	Very low	29.6	Very low	76 Å²	76	149.4 Å²	149.4	78%	0.784	78%	0.777	S	S	*	*			trans	-119.5	-35.3	-174.3	0	0	0	0	0	119.9
1257	K	30.6	Very low	30.2	Very low	183 Å²	183	148.9 Å²	148.9	80%	0.796	78%	0.776	S	S	*	*			trans	64.8	133.9	172.1	-87.6	179	-179.3	176.3	0	120.4
1258	L	30.6	Very low	30.3	Very low	120 Å²	120	148 Å²	148	63%	0.628	78%	0.782	S	S	*	*			trans	86.4	114.7	142.1	-64.3	161.5	0	0	0	123.5
1259	R	29	Very low	30.3	Very low	194 Å²	194	146.4 Å²	146.4	73%	0.732	78%	0.778	S	S	*	*			trans	76	150.6	134.3	-66.1	177.6	175.9	153	0.8	118.2
1260	R	29.2	Very low	30.4	Very low	216 Å²	216	149.2 Å²	149.2	82%	0.815	78%	0.78	S	S	*	*			cis	-163.5	134.2	0.3	-128.2	173.2	-178.2	173.8	-2.2	113
1261	G	28.6	Very low	30.3	Very low	78 Å²	78	152.8 Å²	152.8	80%	0.804	79%	0.786	S	S	*	*			trans	59.2	166.1	150.9	0	0	0	0	0	119.2
1262	R	31.5	Very low	30.5	Very low	246 Å²	246	148.4 Å²	148.4	93%	0.928	79%	0.786	S	S	*	*			cis	-135.9	-177.6	-14.7	-55.6	175.5	170.1	174.4	-4.3	106.3
1263	S	30.5	Very low	30.4	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	79%	0.786	S	S	*	*			cis	-140.5	-161.2	1.5	-55	0	0	0	0	106.5
1264	V	32.8	Very low	30.3	Very low	134 Å²	134	145.6 Å²	145.6	81%	0.812	79%	0.788	S	S	*	*			cis	-147.7	151.2	-9.3	79.6	0	0	0	0	106.5
1265	P	38.3	Very low	30.2	Very low	118 Å²	118	141.2 Å²	141.2	77%	0.766	78%	0.781	S	S	*	*			trans	-117.5	-122.4	-150.5	30.4	-7.3	0	0	0	116.8
1266	P	42	Very low	30.3	Very low	113 Å²	113	143.1 Å²	143.1	73%	0.734	79%	0.787	S	S	*	*				-131.2	-157.6	-124.4	43.4	-22.5	0	0	0	114.2
1267	N	37.1	Very low	30.3	Very low	167 Å²	167	145.9 Å²	145.9	89%	0.893	79%	0.788	S	S	*	*			trans	-54.5	147	171.8	-63.2	-5.6	0	0	0	112.8
1268	S	28.9	Very low	30.8	Very low	116 Å²	116	141.7 Å²	141.7	81%	0.811	78%	0.78	S	S	*	*			trans	-108.1	144.2	-164.4	49.7	0	0	0	0	114.9
1269	I	28.8	Very low	30.8	Very low	160 Å²	160	144.2 Å²	144.2	82%	0.821	79%	0.788	S	S	*	*			trans	-149.1	127.5	170.7	-54.3	177.1	0	0	0	108.8
1270	Q	25.5	Very low	30.9	Very low	159 Å²	159	139.3 Å²	139.3	74%	0.743	78%	0.784	S	S	*	*			trans	173.9	140.5	130.7	-101.1	173.4	-90.3	0	0	113
1271	E	25.3	Very low	30.9	Very low	174 Å²	174	137.7 Å²	137.7	81%	0.813	78%	0.783	S	S	*	*			trans	62.8	149.3	149.2	-70.7	160.5	-146.8	0	0	121.9
1272	G	32.6	Very low	30.9	Very low	76 Å²	76	139.3 Å²	139.3	78%	0.784	77%	0.773	S	S	*	*			trans	132.5	136.4	176	0	0	0	0	0	114
1273	C	26.4	Very low	30.8	Very low	117 Å²	117	135 Å²	135	79%	0.791	76%	0.763	S	S	*	*			trans	-122.7	146.6	179.1	-61.5	0	0	0	0	111.5
1274	H	25.6	Very low	30.6	Very low	179 Å²	179	139 Å²	139	83%	0.829	76%	0.763	S	S	*	*			trans	50.9	140	155	-64	-58.6	0	0	0	120
1275	S	26.1	Very low	30.3	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	76%	0.76	S	S	*	*			cis	-166.6	-178.6	-1.6	-104.4	0	0	0	0	111
1276	E	27.1	Very low	29.9	Very low	177 Å²	177	142 Å²	142	83%	0.827	76%	0.764	S	S	*	*			trans	88.9	100	162.6	-48.6	-161.6	166.3	0	0	117.9
1277	V	30.5	Very low	29.1	Very low	133 Å²	133	144.8 Å²	144.8	81%	0.806	77%	0.767	S	S	*	*				69.7	148.2	69.5	-72	0	0	0	0	115.3
1278	P	41.1	Very low	28.5	Very low	96 Å²	96	142.8 Å²	142.8	62%	0.623	76%	0.756	S	S	*	*			cis	-140.4	172.3	22.2	42.9	-23.8	0	0	0	121.1
1279	H	30.2	Very low	28.3	Very low	172 Å²	172	142.7 Å²	142.7	80%	0.796	76%	0.756	S	S	*	*			trans	74.8	136.1	162.4	-57.9	-53.5	0	0	0	119.5
1280	S	30.8	Very low	28.1	Very low	92 Å²	92	140.9 Å²	140.9	64%	0.643	75%	0.752	S	S	*	*			cis	-168.3	135.3	-7	48.1	0	0	0	0	114.4
1281	F	29.4	Very low	28.2	Very low	182 Å²	182	138.9 Å²	138.9	80%	0.798	75%	0.751	S	S	*	*			trans	64.2	145.1	145.4	-72	-128.1	0	0	0	119
1282	D	29.4	Very low	28.4	Very low	112 Å²	112	137.3 Å²	137.3	60%	0.599	75%	0.753	S	S	*	*			cis	-158.5	139.6	-10.4	-104.5	6.8	0	0	0	107.8
1283	E	28.4	Very low	28	Very low	154 Å²	154	139 Å²	139	72%	0.72	75%	0.753	S	S	*	*				69.6	139.1	84.8	-67.5	-144.5	151.6	0	0	117.2
1284	Y	26.9	Very low	28.2	Very low	193 Å²	193	140.7 Å²	140.7	76%	0.757	75%	0.749	S	S	*	*			cis	-127	-106.8	-4	-151.9	125.4	0	0	0	112.4
1285	T	26.7	Very low	28.2	Very low	123 Å²	123	140.8 Å²	140.8	76%	0.755	74%	0.742	S	S	*	*			cis	-156.7	156.8	-2.1	-41.8	0	0	0	0	110.4
1286	K	28.5	Very low	28.4	Very low	192 Å²	192	142.4 Å²	142.4	84%	0.835	75%	0.748	S	S	*	*			trans	-153.4	-175.2	172.4	-107.8	-173.9	-178.8	-178.4	0	109.9
1287	Q	26	Very low	28.4	Very low	173 Å²	173	139 Å²	139	81%	0.808	74%	0.74	S	S	*	*			trans	89.4	155.1	179.6	-53.6	-165.4	-76.9	0	0	115.8
1288	D	24.4	Very low	28.4	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	74%	0.738	S	S	*	*			cis	-167	161.5	-31.8	-98.8	-32.3	0	0	0	109.5
1289	S	24.5	Very low	27.9	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	74%	0.742	S	S	*	*			trans	68.6	172.5	155.9	89.9	0	0	0	0	116.9
1290	V	25	Very low	27.7	Very low	121 Å²	121	137 Å²	137	73%	0.733	74%	0.743	S	S	*	*			cis	-163.7	178.1	-27.1	130.6	0	0	0	0	107.6
1291	T	28	Very low	27.9	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.724	74%	0.744	S	S	*	*			trans	79.8	127.1	-176.5	71.5	0	0	0	0	114.2
1292	T	28.9	Very low	28.1	Very low	140 Å²	140	135.7 Å²	135.7	86%	0.859	74%	0.741	S	S	*	*			cis	91.3	142.6	33.3	69.3	0	0	0	0	115.2
1293	S	23.4	Very low	28	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	75%	0.747	S	S	*	*			trans	-91.5	135.2	-162.9	154.5	0	0	0	0	114.4
1294	E	30.8	Very low	27.9	Very low	153 Å²	153	132.3 Å²	132.3	72%	0.715	75%	0.749	S	S	*	*			trans	-140.5	122.3	130.7	-85.2	-145.2	113	0	0	108.4
1295	R	27	Very low	27.9	Very low	182 Å²	182	127.8 Å²	127.8	69%	0.687	75%	0.746	S	S	*	*				83.6	103.8	78.6	-160.8	179.1	-161.3	165.5	3.2	111.1	T1297	R1295-T1297 HydrophobicContact CG-CG2 4.07Å
1296	T	29.3	Very low	27.8	Very low	127 Å²	127	127.2 Å²	127.2	78%	0.779	75%	0.747	S	S	*	*				-153.7	106.1	82.9	-63.4	0	0	0	0	107.5
1297	T	28.2	Very low	27.7	Very low	107 Å²	107	121.3 Å²	121.3	66%	0.656	74%	0.74	S	S	*	*				58.2	151.5	80.2	63.7	0	0	0	0	115.6	R1295	R1295-T1297 HydrophobicContact CG-CG2 4.07Å
1298	A	29.3	Very low	28.4	Very low	94 Å²	94	118.5 Å²	118.5	78%	0.777	74%	0.737	S	S	*	*			trans	94.9	141.6	178.1	0	0	0	0	0	115.9
1299	P	31.6	Very low	28.4	Very low	108 Å²	108	119.5 Å²	119.5	70%	0.701	74%	0.741	S	S	*	*				-149.1	-176.4	-121.3	46	-27.2	0	0	0	118.1
1300	L	25.7	Very low	28.3	Very low	157 Å²	157	124.8 Å²	124.8	82%	0.822	75%	0.745	S	S	*	*			trans	67.7	176.5	155.9	-70.6	165	0	0	0	115.6
1301	P	35.2	Very low	28.4	Very low	101 Å²	101	122.2 Å²	122.2	66%	0.656	74%	0.743	S	S	*	*				-122.4	166.9	-89	30.4	-9.2	0	0	0	112.8
1302	I	32.6	Very low	28.2	Very low	145 Å²	145	125 Å²	125	74%	0.744	75%	0.745	S	S	*	*				175.8	110.2	93.9	-88.9	164.7	0	0	0	104.1
1303	S	26.7	Very low	27.9	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	74%	0.737	S	S	*	*				52.1	147.1	86.9	68.5	0	0	0	0	114.8
1304	A	26.4	Very low	28	Very low	92 Å²	92	126.9 Å²	126.9	76%	0.76	73%	0.732	S	S	*	*			cis	-177.5	166.3	-7.8	0	0	0	0	0	106.4
1305	S	27.2	Very low	27.9	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	73%	0.728	S	S	*	*			cis	-171.2	-176.8	-16.6	52.8	0	0	0	0	108.3
1306	S	26.2	Very low	27.8	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	73%	0.726	S	S	*	*			trans	63	152.8	150.4	48.9	0	0	0	0	120.9
1307	G	24.7	Very low	27.8	Very low	67 Å²	67	122.5 Å²	122.5	69%	0.691	71%	0.714	S	S	*	*			trans	-101.9	-156.2	151.8	0	0	0	0	0	109.8
1308	P	41.7	Very low	28	Very low	114 Å²	114	124 Å²	124	74%	0.74	72%	0.717	S	S	*	*			cis	-129.1	-164	-7.5	43	-26.9	0	0	0	112.3
1309	L	24	Very low	28.1	Very low	146 Å²	146	125.7 Å²	125.7	76%	0.764	72%	0.722	S	S	*	*			trans	62.7	137.3	157.6	-70	169.3	0	0	0	121
1310	Y	23	Very low	28.1	Very low	226 Å²	226	127.3 Å²	127.3	89%	0.886	71%	0.714	S	S	*	*			trans	63	161.8	154.9	-92	-107.3	0	0	0	119.4
1311	G	25.8	Very low	28.1	Very low	66 Å²	66	128.8 Å²	128.8	68%	0.68	71%	0.714	S	S	*	*			trans	74.8	90.4	175	0	0	0	0	0	113.5
1312	K	23.5	Very low	27.7	Very low	178 Å²	178	127.9 Å²	127.9	77%	0.774	71%	0.709	S	S	*	*				52.4	141.5	78.4	-81.2	-164.5	171.8	-170.4	0	116.3
1313	E	23.9	Very low	27.5	Very low	147 Å²	147	128 Å²	128	69%	0.687	71%	0.711	S	S	*	*			trans	79.8	107.5	154.4	-80.3	160.3	-135.6	0	0	118.6
1314	E	25.6	Very low	27.5	Very low	143 Å²	143	135 Å²	135	67%	0.668	72%	0.722	S	S	*	*			trans	96	127.7	133.6	-67.1	-144.8	122.6	0	0	122.9
1315	K	28.4	Very low	27.4	Very low	147 Å²	147	136.7 Å²	136.7	64%	0.639	72%	0.718	S	S	*	*			trans	71.4	95	136.9	-70.1	169	-180	147.6	0	120.2
1316	L	25.6	Very low	27.8	Very low	121 Å²	121	137 Å²	137	63%	0.634	71%	0.711	S	S	*	*				75.5	133.2	116.5	-69.2	165.2	0	0	0	120	R1320	L1316-R1320 VanDerWaalsContact CD2-NH1 3.32Å
1317	N	28.6	Very low	27.9	Very low	101 Å²	101	137.1 Å²	137.1	54%	0.54	71%	0.709	S	S	.	*			trans	90.1	145.6	157.8	-58.2	-38	0	0	0	118.2	R1320	N1317-R1320 PolarHBondContact OD1-NH1 2.8Å
1318	I	32.4	Very low	28.1	Very low	140 Å²	140	139.4 Å²	139.4	72%	0.718	72%	0.715	S	S	*	*	S	Bend	trans	60.8	128	176.7	-52.3	116.3	0	0	0	115.1
1319	C	30.7	Very low	27.8	Very low	128 Å²	128	138 Å²	138	87%	0.865	71%	0.713	S	S	*	*	S	Bend	cis	-95.6	127.1	-10	-68.4	0	0	0	0	110.4
1320	R	31.9	Very low	28	Very low	142 Å²	142	139.3 Å²	139.3	54%	0.536	71%	0.708	S	S	.	*			cis	49.2	109.8	-16.6	-42.7	-168.3	-164.4	-174.8	-8	118.6	L1316 N1317	L1316-R1320 VanDerWaalsContact CD2-NH1 3.32Å; N1317-R1320 PolarHBondContact OD1-NH1 2.8Å
1321	K	26.7	Very low	28.5	Very low	189 Å²	189	139 Å²	139	82%	0.822	71%	0.705	S	S	*	*			cis	-163	-154.8	0.3	-146.1	-176.3	-179.5	-169.1	0	108.4	D1323	K1321-D1323 PolarHBondContact O-N 3.13Å
1322	S	25.5	Very low	29	Very low	81 Å²	81	141.3 Å²	141.3	57%	0.566	71%	0.708	S	S	*	*			trans	-30	119.7	155.2	52.3	0	0	0	0	112.9
1323	D	29.7	Very low	29.3	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	71%	0.708	S	S	*	*				174.1	84.4	108.4	-77.4	-28.7	0	0	0	111.1	K1321	K1321-D1323 PolarHBondContact O-N 3.13Å
1324	R	26	Very low	29.6	Very low	250 Å²	250	136.3 Å²	136.3	94%	0.943	71%	0.713	S	S	*	*			trans	-102.6	100	134.9	-87.1	-169.4	176.5	-175	-1.1	107.3
1325	D	24.5	Very low	29.9	Very low	128 Å²	128	135.1 Å²	135.1	68%	0.684	72%	0.721	S	S	*	*			trans	-71.2	161.5	134	-142.3	-34.1	0	0	0	109.1
1326	I	34.7	Very low	29.8	Very low	105 Å²	105	133.5 Å²	133.5	54%	0.538	73%	0.728	S	S	.	*			trans	-72.2	130.1	-175.6	-68.3	152.6	0	0	0	109.2	R1330	I1326-R1330 HydrophobicContact CG2-CG 4.22Å
1327	P	28.6	Very low	30	Very low	113 Å²	113	135.8 Å²	135.8	73%	0.734	74%	0.74	S	S	*	*				-148.2	171	101.7	43.6	-28.3	0	0	0	113.1
1328	S	29	Very low	30.5	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	75%	0.746	S	S	*	*	S	Bend	cis	-139	156.3	3.6	-59.4	0	0	0	0	108.8
1329	A	36.9	Very low	30.2	Very low	85 Å²	85	137.3 Å²	137.3	70%	0.702	75%	0.75	S	S	*	*			cis	-145.9	125.7	-24.6	0	0	0	0	0	104.6
1330	R	26.3	Very low	30.2	Very low	172 Å²	172	139 Å²	139	65%	0.649	75%	0.749	S	S	*	*				48.5	109.2	82.6	-72.5	-165.7	179.7	-165.8	6.7	113.3	I1326	I1326-R1330 HydrophobicContact CG2-CG 4.22Å
1331	R	33.7	Very low	29.9	Very low	219 Å²	219	140.3 Å²	140.3	83%	0.826	76%	0.761	S	S	*	*				44.8	147.8	114.3	-63.5	-175.2	-178.3	174.7	-1.2	118.1
1332	P	36.6	Very low	30.1	Very low	115 Å²	115	141.1 Å²	141.1	75%	0.747	77%	0.765	S	S	*	*				-110.4	139.2	83	-12.8	31.2	0	0	0	115.1
1333	D	29.9	Very low	30	Very low	144 Å²	144	145.5 Å²	145.5	77%	0.77	78%	0.776	S	S	*	*				46.2	146.8	124.2	-41.2	-26.3	0	0	0	120.7
1334	G	30.7	Very low	30.4	Very low	77 Å²	77	143 Å²	143	79%	0.794	77%	0.768	S	S	*	*			cis	-174.2	167.3	-1.5	0	0	0	0	0	108.4
1335	S	31.4	Very low	30.7	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	77%	0.766	S	S	*	*			cis	-148	165.4	19.1	60.8	0	0	0	0	112.4
1336	S	26.9	Very low	30.9	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	77%	0.768	S	S	*	*			trans	-168.6	121.8	162.1	-65.7	0	0	0	0	108.5
1337	N	30	Very low	30.5	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	78%	0.784	S	S	*	*			trans	-168.6	153.7	160.8	-115.6	-5.8	0	0	0	113.3
1338	P	37.8	Very low	30.5	Very low	101 Å²	101	139 Å²	139	66%	0.656	78%	0.777	S	S	*	*			trans	-123.5	-161.9	-177.6	44.1	-31.3	0	0	0	114.3
1339	H	27.2	Very low	30.5	Very low	173 Å²	173	139.6 Å²	139.6	80%	0.801	77%	0.772	S	S	*	*			trans	105.2	154.2	154.9	-82	-54.5	0	0	0	121.7
1340	L	29.8	Very low	30	Very low	162 Å²	162	142.2 Å²	142.2	85%	0.848	77%	0.773	S	S	*	*			trans	76.6	108.1	172.7	-58.9	166.4	0	0	0	115.5
1341	H	26.5	Very low	30.2	Very low	170 Å²	170	143.2 Å²	143.2	79%	0.787	79%	0.786	S	S	*	*			cis	89	102.9	24.2	-154.7	-24.2	0	0	0	114.9
1342	K	31.2	Very low	29.8	Very low	207 Å²	207	139.9 Å²	139.9	90%	0.9	78%	0.784	S	S	*	*			trans	-163.4	143.1	149.6	-113.3	173.6	-175.5	-178.3	0	112.9
1343	E	22.4	Very low	29.5	Very low	173 Å²	173	142.5 Å²	142.5	81%	0.808	79%	0.79	S	S	*	*			trans	-101.7	-170	173	-121.2	-172.2	-179.2	0	0	108.3
1344	P	38.5	Very low	29.3	Very low	93 Å²	93	141 Å²	141	60%	0.604	79%	0.786	S	S	*	*			cis	-138.5	-163	0.8	27.3	-0.2	0	0	0	115
1345	Q	31.2	Very low	28.9	Very low	193 Å²	193	142.5 Å²	142.5	90%	0.902	78%	0.784	S	S	*	*			trans	79.3	147.6	161.8	-51.6	176.1	6.7	0	0	116.8
1346	G	29.1	Very low	28.8	Very low	71 Å²	71	142 Å²	142	73%	0.732	78%	0.78	S	S	*	*			cis	171.8	161.4	-7.1	0	0	0	0	0	113.4
1347	N	27.8	Very low	29	Very low	163 Å²	163	142.6 Å²	142.6	87%	0.872	77%	0.774	S	S	*	*			trans	-5.6	158.5	161.4	-63.9	10.4	0	0	0	121.2
1348	S	26.7	Very low	28.9	Very low	85 Å²	85	139.3 Å²	139.3	59%	0.594	76%	0.756	S	S	*	*			cis	-172.8	-161.6	-16.4	57.3	0	0	0	0	109
1349	D	30.8	Very low	28.4	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	76%	0.761	S	S	*	*			trans	78.4	123.3	164.3	-54.2	-6.7	0	0	0	116.1
1350	N	26.4	Very low	28.5	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	76%	0.757	S	S	*	*				78.2	106.2	50.8	-69.4	-41.5	0	0	0	114.1
1351	Q	30.5	Very low	28.4	Very low	194 Å²	194	139.6 Å²	139.6	91%	0.907	75%	0.75	S	S	*	*				-174.1	162.3	108	-97.9	173.9	46.5	0	0	112.4
1352	N	25.1	Very low	28.4	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	75%	0.749	S	S	*	*			trans	-103	132.7	-177.5	-58.8	-70.2	0	0	0	111.6	V1354	N1352-V1354 HydrophobicContact CB-CG2 4.43Å
1353	I	29.4	Very low	28	Very low	171 Å²	171	137.1 Å²	137.1	88%	0.877	74%	0.74	S	S	*	*			trans	-135.2	74.4	152.4	-55.1	-175.7	0	0	0	110
1354	V	25.2	Very low	28	Very low	112 Å²	112	133.2 Å²	133.2	68%	0.679	73%	0.731	S	S	*	*				30.4	128.3	115	179.4	0	0	0	0	119.2	N1352	N1352-V1354 HydrophobicContact CB-CG2 4.43Å
1355	S	24	Very low	27.3	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	74%	0.739	S	S	*	*			trans	90	156.1	148.3	-79.1	0	0	0	0	122.4
1356	C	29.2	Very low	27	Very low	109 Å²	109	133.2 Å²	133.2	74%	0.736	73%	0.731	S	S	*	*			trans	71.4	122.6	174	-65.4	0	0	0	0	116
1357	D	29.2	Very low	26.8	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	73%	0.727	S	S	*	*			cis	-152.8	152.1	3.2	-111.2	-45.3	0	0	0	115
1358	N	29.2	Very low	26.9	Very low	100 Å²	100	136.4 Å²	136.4	54%	0.535	73%	0.725	S	S	.	*			trans	47	128.1	151.7	-62.6	-48.8	0	0	0	120.9
1359	K	27.4	Very low	27	Very low	174 Å²	174	141 Å²	141	76%	0.757	74%	0.736	S	S	*	*				52.7	132.9	78.4	-53.4	175.2	-158.8	127.4	0	111.8
1360	T	29.4	Very low	26.9	Very low	117 Å²	117	142 Å²	142	72%	0.718	74%	0.735	S	S	*	*			cis	-131.6	157.2	37.4	40.2	0	0	0	0	113
1361	Q	27.2	Very low	27	Very low	150 Å²	150	142.9 Å²	142.9	70%	0.701	74%	0.739	S	S	*	*				59.3	134.7	65.4	-108.2	-175.7	-48.1	0	0	111.9
1362	Y	25.6	Very low	26.8	Very low	194 Å²	194	137.3 Å²	137.3	76%	0.761	72%	0.721	S	S	*	*			cis	-163	-159.3	-7.2	-144.9	-129.8	0	0	0	109.1
1363	N	22.7	Very low	27	Very low	131 Å²	131	139 Å²	139	70%	0.701	72%	0.724	S	S	*	*			trans	-42.8	154.4	157.9	-45.1	-14	0	0	0	110.9
1364	S	24.3	Very low	26.9	Very low	91 Å²	91	139.7 Å²	139.7	64%	0.636	72%	0.724	S	S	*	*			cis	-173.2	148.3	43.7	52	0	0	0	0	113.3
1365	D	22.3	Very low	27.4	Very low	142 Å²	142	139 Å²	139	76%	0.759	72%	0.722	S	S	*	*			trans	60.2	166.1	142.2	-53.3	-26.1	0	0	0	122.7
1366	I	26.1	Very low	27.7	Very low	145 Å²	145	140.5 Å²	140.5	74%	0.744	73%	0.726	S	S	*	*			trans	75.3	109.9	152.5	-74.3	154.2	0	0	0	119.2
1367	F	24.3	Very low	27.7	Very low	148 Å²	148	138.4 Å²	138.4	65%	0.649	72%	0.723	S	S	*	*			trans	43	116.3	144.1	-70.3	-100.6	0	0	0	120.9
1368	N	30.7	Very low	27.6	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	73%	0.732	S	S	*	*				-170.2	137.2	114.5	-88.4	-27.7	0	0	0	109.3
1369	E	28.1	Very low	27.5	Very low	180 Å²	180	149 Å²	149	84%	0.841	75%	0.752	S	S	*	*			cis	-140.4	179.1	-2.3	-149.3	172.6	-179.2	0	0	110.5
1370	K	28	Very low	27.5	Very low	152 Å²	152	145 Å²	145	66%	0.661	75%	0.751	S	S	*	*			trans	-98	160.7	-158.7	-63.5	176.1	177.7	172.9	0	115.9
1371	L	28.8	Very low	27.4	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	75%	0.753	S	S	*	*			trans	69.4	130.1	161	-55.1	127.5	0	0	0	115.9
1372	S	26.2	Very low	27.7	Very low	77 Å²	77	143 Å²	143	54%	0.538	76%	0.759	S	S	.	*			cis	98.5	114.5	18.7	83.3	0	0	0	0	116.5
1373	H	29.6	Very low	27.9	Very low	182 Å²	182	143.4 Å²	143.4	84%	0.843	76%	0.764	S	S	*	*			trans	64.4	156.7	162.3	-47.7	-64.6	0	0	0	117.2
1374	Q	27.3	Very low	28.4	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	77%	0.772	S	S	*	*			cis	-133.6	176.6	5.3	-98.3	-154.4	-32.3	0	0	112.5
1375	P	36.7	Very low	28.7	Very low	98 Å²	98	147.4 Å²	147.4	64%	0.636	78%	0.777	S	S	*	*			trans	-128.3	-178.1	-156.9	44.6	-31.7	0	0	0	119.1
1376	T	28.9	Very low	29.1	Very low	139 Å²	139	149 Å²	149	85%	0.853	78%	0.78	S	S	*	*			trans	72.4	150	164.7	68.3	0	0	0	0	119.2
1377	G	29.2	Very low	29.3	Very low	64 Å²	64	150.5 Å²	150.5	66%	0.66	78%	0.782	S	S	*	*			cis	178.9	168.8	-7.5	0	0	0	0	0	114.5
1378	F	28.2	Very low	29.5	Very low	198 Å²	198	154 Å²	154	87%	0.868	79%	0.79	S	S	*	*			trans	64.3	161	177	-70.8	-95.8	0	0	0	117.9
1379	W	27.1	Very low	29.5	Very low	249 Å²	249	152.8 Å²	152.8	94%	0.943	79%	0.789	S	S	*	*			cis	-120.9	-177.9	2.8	-105.2	81.3	0	0	0	112.3
1380	A	27.6	Very low	29.7	Very low	90 Å²	90	150.6 Å²	150.6	74%	0.744	78%	0.783	S	S	*	*			trans	-89.2	151.4	-165.3	0	0	0	0	0	118.2
1381	S	26.9	Very low	30.1	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	79%	0.788	S	S	*	*				-178.5	147.4	124.7	-167.8	0	0	0	0	114.9
1382	S	32.2	Very low	30.2	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	79%	0.786	S	S	*	*			trans	67.5	173.6	152.4	-64.9	0	0	0	0	120.3
1383	K	31.5	Very low	30.8	Very low	202 Å²	202	151.9 Å²	151.9	88%	0.878	79%	0.793	S	S	*	*			trans	-117.5	148.5	-158.5	-63.6	175.7	178.7	171.7	0	114.1
1384	K	31.2	Very low	30.8	Very low	199 Å²	199	152.7 Å²	152.7	87%	0.865	79%	0.79	S	S	*	*			trans	90.9	117.4	160.5	-63.7	-174	173.7	-177	0	119.6
1385	S	31.7	Very low	30.9	Very low	107 Å²	107	151.1 Å²	151.1	75%	0.748	78%	0.783	S	S	*	*			trans	61.5	99.3	142.8	55.1	0	0	0	0	121.5
1386	H	31.3	Very low	30.6	Very low	177 Å²	177	154.2 Å²	154.2	82%	0.819	79%	0.789	S	S	*	*			trans	46.9	98.9	142.7	-68.6	-82.7	0	0	0	122.1
1387	F	30.4	Very low	30.5	Very low	176 Å²	176	156.1 Å²	156.1	77%	0.772	79%	0.788	S	S	*	*				67.1	109.7	125	-91	-91.1	0	0	0	123.7
1388	R	27.6	Very low	30.6	Very low	220 Å²	220	158.9 Å²	158.9	83%	0.83	79%	0.792	S	S	*	*			trans	58.2	115.2	138.5	-84.2	-170.7	172.1	-178.4	-0.9	121.9
1389	T	31.5	Very low	30.5	Very low	128 Å²	128	156.3 Å²	156.3	79%	0.785	79%	0.793	S	S	*	*				178.6	148.4	123.6	26.7	0	0	0	0	106.8
1390	N	32.6	Very low	30.5	Very low	135 Å²	135	147.3 Å²	147.3	72%	0.722	78%	0.777	S	S	*	*			cis	-147.3	162.1	4.4	-98	-31	0	0	0	111.7
1391	T	34.9	Very low	30.5	Very low	125 Å²	125	148.8 Å²	148.8	77%	0.767	77%	0.767	S	S	*	*			trans	37	117.4	156	53.5	0	0	0	0	121.3
1392	K	32	Very low	30.5	Very low	183 Å²	183	147.2 Å²	147.2	80%	0.796	76%	0.756	S	S	*	*				68.8	150.8	61.7	-82.1	-163.7	173.3	-170	0	115.8
1393	P	38.7	Very low	30.8	Very low	105 Å²	105	145.4 Å²	145.4	68%	0.682	74%	0.741	S	S	*	*			cis	-143	144.7	-9.6	33.2	-11.6	0	0	0	119.3
1394	Y	28.8	Very low	30.6	Very low	199 Å²	199	139.6 Å²	139.6	78%	0.78	72%	0.723	S	S	*	*			trans	49	165.6	137	-62.5	-72.2	0	0	0	123.2
1395	H	29.4	Very low	30.5	Very low	154 Å²	154	134 Å²	134	71%	0.713	71%	0.705	S	S	*	*			cis	-155	170.3	26.1	-146.3	-98.8	0	0	0	114.6
1396	E	29.7	Very low	30.5	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	70%	0.704	S	S	*	*			trans	80.2	167.1	152.1	-122.4	143.6	-88.2	0	0	123.7
1397	E	27.9	Very low	30.3	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	69%	0.694	S	S	*	*				-141.9	-144.8	-113.2	-144.7	166.3	-121.7	0	0	115.8
1398	T	30.9	Very low	30.2	Very low	122 Å²	122	129.3 Å²	129.3	75%	0.748	69%	0.686	S	S	*	*			trans	-149.7	162.7	-150.9	-4.8	0	0	0	0	111.8
1399	V	26.8	Very low	30.3	Very low	144 Å²	144	128.3 Å²	128.3	87%	0.873	68%	0.684	S	S	*	*			cis	-148.6	152.9	12.4	-162.5	0	0	0	0	110.1
1400	G	27	Very low	30.2	Very low	60 Å²	60	127.2 Å²	127.2	62%	0.619	68%	0.681	S	S	*	*			trans	158.1	138.6	153.4	0	0	0	0	0	118.3
1401	F	26.5	Very low	30	Very low	120 Å²	120	127.7 Å²	127.7	53%	0.526	68%	0.684	S	S	.	*			trans	52.1	117.2	146.3	-58.3	-41.9	0	0	0	122.2	M1003 T1004	M1003-F1401 HydrophobicContact CB-CB 3.65Å; M1003-F1401 HydrophobicContact CB-CD1 3.65Å; M1003-F1401 HydrophobicContact CB-CG 3.97Å; M1003-F1401 HydrophobicContact CE-CD1 3.59Å; M1003-F1401 HydrophobicContact CE-CE1 4.1Å; M1003-F1401 HydrophobicContact CG-CB 4.39Å; M1003-F1401 HydrophobicContact CG-CD1 3.63Å; M1003-F1401 HydrophobicContact CG-CE1 4.46Å; M1003-F1401 HydrophobicContact CG-CG 4.42Å; M1003-F1401 HydrophobicContact SD-CD1 4.01Å; T1004-F1401 HydrophobicContact CG2-CD1 4.24Å; T1004-F1401 HydrophobicContact CG2-CE1 3.63Å; T1004-F1401 HydrophobicContact CG2-CE2 4.02Å; T1004-F1401 HydrophobicContact CG2-CZ 3.51Å
1402	S	28.2	Very low	29.7	Very low	75 Å²	75	127.1 Å²	127.1	52%	0.524	68%	0.681	S	S	.	*			trans	-36.7	169.7	176.6	-114.2	0	0	0	0	119.7	Q1002 M1003	Q1002-S1402 WeakPolarHBondContact O-CB 3.5Å; M1003-S1402 WeakPolarHBondContact SD-CB 3.48Å; M1003-S1402 PolarHBondContact SD-N 3.09Å
1403	P	38.5	Very low	29.5	Very low	79 Å²	79	126.7 Å²	126.7	51%	0.513	68%	0.681	S	S	.	*				-155.2	-179.7	64.4	35.9	-10.2	0	0	0	121.4	N1001	N1001-P1403 HydrophobicContact CB-CB 3.44Å; N1001-P1403 VanDerWaalsContact CB-CB 3.44Å; N1001-P1403 HydrophobicContact CB-CG 3.97Å
1404	T	27.5	Very low	29.1	Very low	81 Å²	81	126.9 Å²	126.9	50%	0.497	68%	0.68	S	S	.	*			trans	-30.2	155	136.8	22.1	0	0	0	0	113.4	N1001	N1001-T1404 VanDerWaalsContact CB-OG1 3.32Å; N1001-T1404 WeakPolarHBondContact CB-OG1 3.46Å; N1001-T1404 VanDerWaalsContact CG-OG1 3.25Å; N1001-T1404 PolarHBondContact OD1-OG1 2.94Å
1405	T	29.6	Very low	29.2	Very low	81 Å²	81	125.4 Å²	125.4	50%	0.497	68%	0.678	S	S	.	*			cis	-166.4	134.1	35.5	-16.8	0	0	0	0	110.5	N1001	N1001-T1405 PolarHBondContact ND2-OG1 3.37Å
1406	T	30.3	Very low	29.3	Very low	117 Å²	117	124 Å²	124	72%	0.718	68%	0.68	S	S	*	*			trans	59.9	169.7	143.4	52.8	0	0	0	0	119.6
1407	N	28.6	Very low	29.1	Very low	114 Å²	114	121.5 Å²	121.5	61%	0.61	68%	0.681	S	S	*	*			cis	-158.4	159.4	-16.3	-121.8	-23	0	0	0	111.7
1408	Q	26.8	Very low	29.8	Very low	131 Å²	131	118.5 Å²	118.5	61%	0.612	68%	0.677	S	S	*	*			trans	60.3	171.4	151.9	-58.5	149.9	0.6	0	0	115
1409	Y	29.2	Very low	29.6	Very low	199 Å²	199	120.3 Å²	120.3	78%	0.78	68%	0.681	S	S	*	*			cis	-128	168.2	-1.5	-87.1	-86.2	0	0	0	107.5
1410	S	30.8	Very low	29.9	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	68%	0.682	S	S	*	*			cis	-161.2	165.3	0.9	33.6	0	0	0	0	111.4
1411	N	27	Very low	30	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	69%	0.69	S	S	*	*			trans	-43.8	152.1	160.8	-54.6	-57.4	0	0	0	113
1412	T	28.8	Very low	30.1	Very low	114 Å²	114	131.5 Å²	131.5	70%	0.699	70%	0.699	S	S	*	*				176.3	158.8	77.6	36.7	0	0	0	0	111.7
1413	H	29.5	Very low	29.9	Very low	173 Å²	173	132.3 Å²	132.3	80%	0.801	70%	0.704	S	S	*	*			trans	54.2	151.4	147.6	-71.1	-52.3	0	0	0	121.7
1414	V	28.7	Very low	29.5	Very low	109 Å²	109	137.7 Å²	137.7	66%	0.661	72%	0.72	S	S	*	*			cis	-172.3	178.4	-19.5	67	0	0	0	0	109.1
1415	K	31.1	Very low	29.9	Very low	169 Å²	169	139 Å²	139	74%	0.735	73%	0.733	S	S	*	*			trans	80.7	110	162.7	-79.2	163.4	-170.1	172.1	0	118.5
1416	T	32.2	Very low	30.3	Very low	123 Å²	123	140.8 Å²	140.8	76%	0.755	75%	0.745	S	S	*	*				77.1	131	104.4	60.2	0	0	0	0	115.6
1417	S	25.3	Very low	30.1	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	75%	0.748	S	S	*	*			cis	66.3	155.6	32.7	-57.1	0	0	0	0	115.2
1418	P	41.6	Very low	30.1	Very low	116 Å²	116	142.4 Å²	142.4	75%	0.753	75%	0.748	S	S	*	*			cis	-138.5	171	2.3	42.8	-25.3	0	0	0	118.1
1419	L	28.1	Very low	30.2	Very low	160 Å²	160	144.8 Å²	144.8	84%	0.838	76%	0.756	S	S	*	*			trans	-5.8	147	146.4	-54.9	165.7	0	0	0	122.3
1420	R	32.5	Very low	30.3	Very low	237 Å²	237	144.3 Å²	144.3	89%	0.894	76%	0.758	S	S	*	*				-153.5	134	126.3	-92.3	176.7	-166.7	-154.4	1.4	107.8
1421	K	28.3	Very low	30.2	Very low	181 Å²	181	148.7 Å²	148.7	79%	0.787	76%	0.764	S	S	*	*				69.2	135.8	63.8	-69.2	-172.2	172	-173	0	112.5
1422	I	28.9	Very low	30.2	Very low	140 Å²	140	147 Å²	147	72%	0.718	76%	0.763	S	S	*	*			cis	-155.9	170.6	10.4	-127.2	164.7	0	0	0	113.7
1423	C	25.7	Very low	30.3	Very low	93 Å²	93	146.6 Å²	146.6	63%	0.628	77%	0.766	S	S	*	*			trans	-25	148.6	175.2	-46.4	0	0	0	0	120.7
1424	F	28.7	Very low	30.2	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.842	77%	0.766	S	S	*	*				171.7	164.7	100.9	-97.9	-71.7	0	0	0	113.9
1425	S	35.7	Very low	30.1	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	77%	0.77	S	S	*	*			trans	-147	142.8	159.4	-70.8	0	0	0	0	107.1
1426	P	39.4	Very low	30.1	Very low	118 Å²	118	148.9 Å²	148.9	77%	0.766	77%	0.773	S	S	*	*				-154.8	168.4	99.2	39.5	-20.6	0	0	0	117.9
1427	E	25.8	Very low	30	Very low	167 Å²	167	149.2 Å²	149.2	78%	0.78	77%	0.766	S	S	*	*			trans	65.6	104.4	141.3	-76.4	-168.9	-179.5	0	0	125.8
1428	T	28	Very low	30.3	Very low	98 Å²	98	150.4 Å²	150.4	60%	0.601	76%	0.758	S	S	*	*			trans	74.1	120.1	130.1	76.4	0	0	0	0	121.9
1429	K	28.7	Very low	29.9	Very low	181 Å²	181	150.8 Å²	150.8	79%	0.787	75%	0.754	S	S	*	*				176.7	135	96.9	-94.4	145.8	-164.8	157.3	0	114.3
1430	K	30.6	Very low	30.1	Very low	188 Å²	188	149.8 Å²	149.8	82%	0.817	75%	0.745	S	S	*	*			trans	46.3	121.3	143	-67.9	178.2	178.5	174.1	0	121.2
1431	K	30.3	Very low	30	Very low	197 Å²	197	142 Å²	142	86%	0.857	73%	0.727	S	S	*	*			trans	81.9	135	143.3	-68.1	-178.5	174.4	-175.5	0	119.9
1432	S	26.8	Very low	30.2	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	73%	0.728	S	S	*	*			trans	-45	157	150.4	57.8	0	0	0	0	113.5
1433	S	29.7	Very low	30.3	Very low	107 Å²	107	142.2 Å²	142.2	75%	0.748	73%	0.732	S	S	*	*			cis	-161.2	152.4	29.2	51.8	0	0	0	0	114.8
1434	K	28.8	Very low	30.6	Very low	188 Å²	188	145 Å²	145	82%	0.817	74%	0.739	S	S	*	*			trans	41.5	115.4	145.5	-85.7	-165.2	172.2	-171.3	0	121
1435	L	26.6	Very low	30.8	Very low	142 Å²	142	141.4 Å²	141.4	74%	0.743	73%	0.733	S	S	*	*				78.1	113.3	107.3	-156.9	152.2	0	0	0	119.8
1436	H	30	Very low	30.5	Very low	169 Å²	169	141 Å²	141	78%	0.782	73%	0.729	S	S	*	*			trans	-154.8	156.7	156	-86	-45.1	0	0	0	106.1
1437	Q	31.6	Very low	30.1	Very low	130 Å²	130	142.1 Å²	142.1	61%	0.607	73%	0.734	S	S	*	*			cis	-150.9	170.6	0.9	-129.5	175	-93.6	0	0	111.7
1438	E	31.1	Very low	30.3	Very low	137 Å²	137	139.5 Å²	139.5	64%	0.64	73%	0.734	S	S	*	*			trans	63	142.1	175.8	-81.3	58.5	-75	0	0	116.5
1439	N	32.4	Very low	30.8	Very low	124 Å²	124	140.2 Å²	140.2	66%	0.663	74%	0.74	S	S	*	*			cis	-154.2	162.8	-16.6	-134.2	17.1	0	0	0	108.8
1440	E	31.9	Very low	30.8	Very low	140 Å²	140	141 Å²	141	65%	0.654	74%	0.744	S	S	*	*			cis	-146.9	-73.3	0.3	-168.9	-172.1	-88.8	0	0	112.8
1441	S	31.3	Very low	30.7	Very low	74 Å²	74	137.3 Å²	137.3	52%	0.517	74%	0.742	S	S	.	*			trans	-138.3	126.8	-148.5	44.4	0	0	0	0	114
1442	H	31.7	Very low	30.8	Very low	172 Å²	172	133.7 Å²	133.7	80%	0.796	74%	0.741	S	S	*	*			cis	-132.9	-91.8	-11.7	-74.4	-53.9	0	0	0	113.2
1443	L	31.1	Very low	30.9	Very low	152 Å²	152	138.1 Å²	138.1	80%	0.796	75%	0.747	S	S	*	*			cis	-151.9	-177.1	-2.3	-168.9	50.2	0	0	0	110.4
1444	L	32	Very low	30.9	Very low	151 Å²	151	138 Å²	138	79%	0.791	75%	0.745	S	S	*	*			trans	-110.4	163	-165	-57.8	172.9	0	0	0	111.5
1445	V	32.7	Very low	31.1	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.715	74%	0.743	S	S	*	*			cis	-156.5	151.6	-2.5	107.9	0	0	0	0	113.9
1446	C	29.3	Very low	31.3	Very low	100 Å²	100	138.5 Å²	138.5	68%	0.676	74%	0.739	S	S	*	*			trans	4.6	154.6	157	-55.7	0	0	0	0	126.6
1447	T	31.5	Very low	31.3	Very low	141 Å²	141	134.8 Å²	134.8	87%	0.865	73%	0.728	S	S	*	*			trans	87.7	133	138	35.2	0	0	0	0	123.8
1448	S	29.8	Very low	31.3	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	73%	0.731	S	S	*	*			trans	-113.6	161	160.8	-45.5	0	0	0	0	109.1
1449	P	39.4	Very low	31.3	Very low	112 Å²	112	132.8 Å²	132.8	73%	0.727	73%	0.727	S	S	*	*				-158.7	164.4	74.3	41	-19.8	0	0	0	119.8
1450	K	28.7	Very low	31.2	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.857	73%	0.734	S	S	*	*			trans	44.3	120.6	146.1	-64.5	173.3	179.7	178.2	0	121.3
1451	S	27.3	Very low	30.9	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	74%	0.74	S	S	*	*				156.3	162.3	96.1	63.6	0	0	0	0	116.8
1452	S	33.6	Very low	30.7	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	75%	0.75	S	S	*	*			trans	78.4	167.4	160.8	84.8	0	0	0	0	120.3
1453	K	28.9	Very low	30.6	Very low	200 Å²	200	131 Å²	131	87%	0.87	74%	0.744	S	S	*	*			trans	-129.8	144.9	-173.8	-61.4	172.7	178	174.4	0	110.3
1454	C	29	Very low	30.5	Very low	106 Å²	106	128.9 Å²	128.9	72%	0.716	74%	0.738	S	S	*	*			trans	-178.1	130.4	131.5	-114.7	0	0	0	0	115.6
1455	Q	32.6	Very low	30.3	Very low	162 Å²	162	129.5 Å²	129.5	76%	0.757	74%	0.737	S	S	*	*			trans	62.1	155.5	141.7	-68	-172.6	42.4	0	0	120.1
1456	R	32.2	Very low	30.1	Very low	178 Å²	178	128.6 Å²	128.6	67%	0.672	74%	0.735	S	S	*	*			cis	178.4	141.7	-16.9	-173.8	179.1	175.5	161.1	0.9	104.8
1457	T	29.7	Very low	30.1	Very low	91 Å²	91	131.9 Å²	131.9	56%	0.558	74%	0.741	S	S	*	*				172	136.2	94.4	40.2	0	0	0	0	113.6
1458	H	31.1	Very low	30.2	Very low	145 Å²	145	132.5 Å²	132.5	67%	0.671	73%	0.734	S	S	*	*			trans	50.4	143.6	139.7	-56.3	-60.5	0	0	0	123.2
1459	S	31.2	Very low	30.1	Very low	79 Å²	79	131.9 Å²	131.9	55%	0.552	73%	0.729	S	S	*	*			cis	120.2	135.4	-10.1	74.8	0	0	0	0	117.2
1460	I	29.7	Very low	29.7	Very low	158 Å²	158	135.6 Å²	135.6	81%	0.81	73%	0.734	S	S	*	*			trans	77.6	125.8	162.3	-58.7	156.3	0	0	0	114.3
1461	C	26	Very low	29.7	Very low	116 Å²	116	132.8 Å²	132.8	78%	0.784	73%	0.728	S	S	*	*			cis	85.6	146.3	17.1	-130.1	0	0	0	0	115.8
1462	S	26.8	Very low	29.9	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	73%	0.726	S	S	*	*			cis	-144.7	-159.1	7.9	-46.8	0	0	0	0	108.9
1463	S	29.4	Very low	29.6	Very low	95 Å²	95	136.7 Å²	136.7	66%	0.664	72%	0.723	S	S	*	*			cis	-168.8	-179.3	-1.5	52.8	0	0	0	0	110.3
1464	T	28.7	Very low	29.5	Very low	109 Å²	109	135 Å²	135	67%	0.669	72%	0.723	S	S	*	*			trans	64.5	143	151.5	47.2	0	0	0	0	120.7
1465	E	28.3	Very low	29.4	Very low	164 Å²	164	135.4 Å²	135.4	77%	0.766	72%	0.723	S	S	*	*			cis	-174.3	-174.1	-22.8	-132.4	73.1	-75.9	0	0	106.8
1466	S	29.3	Very low	29.1	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	72%	0.724	S	S	*	*			cis	-169.5	167.6	0.7	46	0	0	0	0	112.1
1467	E	29.6	Very low	29	Very low	169 Å²	169	134.4 Å²	134.4	79%	0.79	73%	0.727	S	S	*	*			trans	83.3	131.8	156.7	-75.5	-167.3	-160.2	0	0	125.1
1468	H	32.3	Very low	28.9	Very low	155 Å²	155	136.8 Å²	136.8	72%	0.718	74%	0.736	S	S	*	*			trans	54.3	92.2	147.4	-77.1	-69.9	0	0	0	126.4
1469	S	29.1	Very low	28.9	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	74%	0.738	S	S	*	*				95.6	145.2	113.6	82.2	0	0	0	0	123.1
1470	F	30.8	Very low	28.8	Very low	190 Å²	190	137.5 Å²	137.5	83%	0.833	76%	0.756	S	S	*	*			trans	50.4	84.5	163.8	-74.7	-75.8	0	0	0	122.3
1471	N	28.2	Very low	28.9	Very low	137 Å²	137	136 Å²	136	73%	0.733	75%	0.754	S	S	*	*				75.3	128.4	114.2	-137.5	4	0	0	0	121.2
1472	K	31.8	Very low	28.9	Very low	168 Å²	168	136 Å²	136	73%	0.73	75%	0.751	S	S	*	*			trans	72.6	110.5	168.5	-68.7	-172.8	175.2	-178.9	0	119
1473	N	26.1	Very low	28.8	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	75%	0.751	S	S	*	*			trans	54.8	95.2	133.7	-54.9	10.7	0	0	0	117.3
1474	D	27.6	Very low	28.8	Very low	163 Å²	163	142.8 Å²	142.8	87%	0.872	76%	0.757	S	S	*	*			trans	-146.8	169.9	154.1	-116.8	-40.1	0	0	0	114.7
1475	V	25.8	Very low	28.9	Very low	115 Å²	115	141.4 Å²	141.4	70%	0.697	75%	0.752	S	S	*	*			trans	-80.7	127.9	-164.4	163.8	0	0	0	0	113.6
1476	F	27.6	Very low	29.2	Very low	180 Å²	180	139.8 Å²	139.8	79%	0.789	75%	0.749	S	S	*	*			trans	84.8	131.6	149.2	-83	-136.2	0	0	0	124.6
1477	L	30	Very low	29.4	Very low	139 Å²	139	144.9 Å²	144.9	73%	0.728	76%	0.755	S	S	*	*			trans	50	129.3	132.1	-92.6	65.5	0	0	0	126.7
1478	D	27.8	Very low	29.7	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	74%	0.741	S	S	*	*			trans	28.8	131.2	132.4	-76.2	-49.6	0	0	0	126.5
1479	S	29.8	Very low	29.8	Very low	102 Å²	102	140 Å²	140	71%	0.713	74%	0.743	S	S	*	*			trans	65.5	103.4	131.5	-64.5	0	0	0	0	124.7
1480	C	29.9	Very low	30.4	Very low	136 Å²	136	143.1 Å²	143.1	92%	0.919	75%	0.751	S	S	*	*			trans	69	164.5	141.9	-69.4	0	0	0	0	121.6
1481	T	31.5	Very low	30.9	Very low	126 Å²	126	138.9 Å²	138.9	77%	0.773	74%	0.737	S	S	*	*			trans	-91.8	143.6	-156.4	52.5	0	0	0	0	116.3
1482	T	25.8	Very low	31.2	Very low	116 Å²	116	139 Å²	139	71%	0.712	74%	0.738	S	S	*	*			trans	22.9	135.8	149.2	54.5	0	0	0	0	119.8
1483	H	26.4	Very low	31.3	Very low	159 Å²	159	135.6 Å²	135.6	74%	0.736	74%	0.736	S	S	*	*			cis	-164.7	146.1	22.9	-120.8	-45.7	0	0	0	110
1484	K	29.1	Very low	31.5	Very low	182 Å²	182	136.5 Å²	136.5	79%	0.791	74%	0.739	S	S	*	*			trans	66.8	150	154.4	-67	-175.7	179.7	-172.8	0	117.7
1485	S	31.1	Very low	31.7	Very low	81 Å²	81	131.9 Å²	131.9	57%	0.566	73%	0.73	S	S	*	*			cis	-174.3	150.9	-16	49.8	0	0	0	0	110.4
1486	D	34.3	Very low	31.8	Very low	129 Å²	129	132.1 Å²	132.1	69%	0.69	73%	0.732	S	S	*	*			trans	69.7	147	146.4	-58.6	-4.6	0	0	0	119.6
1487	Y	33.3	Very low	31.9	Very low	206 Å²	206	132.3 Å²	132.3	81%	0.808	73%	0.732	S	S	*	*			cis	-158.6	149	-5.4	-126.5	-55.8	0	0	0	111.8
1488	A	35.3	Very low	31.7	Very low	62 Å²	62	130.1 Å²	130.1	51%	0.512	73%	0.728	S	S	.	*			trans	70.4	166.4	156	0	0	0	0	0	117.3
1489	Q	33.6	Very low	31.6	Very low	159 Å²	159	129.8 Å²	129.8	74%	0.743	73%	0.727	S	S	*	*	S	Bend	cis	-145.5	65.1	8.3	-160.8	-175.9	-8	0	0	116.8	D1491	Q1489-D1491 VanDerWaalsContact C-N 3.31Å; Q1489-D1491 PolarHBondContact N-OD2 3.43Å
1490	N	42	Very low	31.4	Very low	165 Å²	165	131.5 Å²	131.5	88%	0.882	73%	0.726	S	S	*	*	S	Bend	cis	-95.7	5.9	-9	-59.4	-24.2	0	0	0	111.1
1491	D	41.8	Very low	31.2	Very low	101 Å²	101	131.2 Å²	131.2	54%	0.54	72%	0.715	S	S	.	*			trans	37.5	102.8	155.3	-60.9	-15.3	0	0	0	120	Q1489	Q1489-D1491 VanDerWaalsContact C-N 3.31Å; Q1489-D1491 PolarHBondContact N-OD2 3.43Å
1492	D	35.4	Very low	30.9	Very low	140 Å²	140	133.7 Å²	133.7	75%	0.749	72%	0.718	S	S	*	*				58.3	105.6	102.7	-75.7	26.2	0	0	0	119.6
1493	S	33.3	Very low	31.5	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	72%	0.722	S	S	*	*				137.6	135.5	81.8	59.8	0	0	0	0	118.3
1494	I	30.5	Very low	32.1	Very low	166 Å²	166	132.4 Å²	132.4	85%	0.851	72%	0.723	S	S	*	*			trans	63.1	109.8	132.5	-60.7	167.7	0	0	0	121.1
1495	G	30.9	Very low	32.1	Very low	67 Å²	67	130.6 Å²	130.6	69%	0.691	73%	0.727	S	S	*	*			trans	95.3	159.4	131.1	0	0	0	0	0	119.5
1496	T	29.4	Very low	32.2	Very low	120 Å²	120	129.8 Å²	129.8	74%	0.736	73%	0.732	S	S	*	*			cis	-166.4	155.4	-15.3	-0.1	0	0	0	0	112.8
1497	K	28	Very low	31.9	Very low	183 Å²	183	133.2 Å²	133.2	80%	0.796	74%	0.741	S	S	*	*			trans	67.4	104.7	144.7	-73.5	169.6	-178	174.3	0	122.8
1498	S	26.7	Very low	31.4	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	74%	0.735	S	S	*	*				64.2	142.5	110.4	78.2	0	0	0	0	125.1
1499	N	26.4	Very low	30.9	Very low	136 Å²	136	132.8 Å²	132.8	73%	0.727	74%	0.744	S	S	*	*			trans	86.9	127.7	130.3	-81.4	-6.3	0	0	0	124
1500	I	25.7	Very low	30.8	Very low	137 Å²	137	133.4 Å²	133.4	70%	0.703	75%	0.745	S	S	*	*				84.4	133.1	125.6	-70	173.1	0	0	0	122
1501	L	24	Very low	30.2	Very low	131 Å²	131	132.5 Å²	132.5	69%	0.686	74%	0.735	S	S	*	*			trans	30	146.6	153.4	-89.5	57.7	0	0	0	124.8
1502	Q	25.1	Very low	30	Very low	178 Å²	178	133 Å²	133	83%	0.832	75%	0.746	S	S	*	*			trans	73.7	147.8	140.5	-74.9	170.3	-6.9	0	0	121
1503	T	38.9	Very low	30.1	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	75%	0.754	S	S	*	*			trans	-108.9	156.6	164.3	60.2	0	0	0	0	108.4
1504	P	39.2	Very low	29.8	Very low	117 Å²	117	139 Å²	139	76%	0.76	76%	0.757	S	S	*	*			cis	-138.7	-143.4	22.8	41.5	-20.6	0	0	0	113.3
1505	V	29.1	Very low	29.8	Very low	144 Å²	144	139.8 Å²	139.8	87%	0.873	75%	0.754	S	S	*	*			trans	85.8	144.7	175.4	-169.5	0	0	0	0	115
1506	G	32.8	Very low	30.1	Very low	65 Å²	65	143.3 Å²	143.3	67%	0.67	76%	0.763	S	S	*	*			trans	72.4	87.1	-176.6	0	0	0	0	0	113.3
1507	K	27.6	Very low	30.3	Very low	200 Å²	200	142.2 Å²	142.2	87%	0.87	76%	0.76	S	S	*	*			cis	52.5	99.2	45.9	-106.8	-174.4	-173.4	175.4	0	113.7
1508	K	23.9	Very low	30.7	Very low	158 Å²	158	143.2 Å²	143.2	69%	0.687	76%	0.764	S	S	*	*			trans	52.2	105	137.2	-71.8	-169.7	175.1	-174.6	0	117.8
1509	S	25.5	Very low	30.9	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	77%	0.774	S	S	*	*				67.3	107.6	79.5	78.8	0	0	0	0	114.9
1510	K	30.4	Very low	31.2	Very low	171 Å²	171	147.4 Å²	147.4	74%	0.743	78%	0.782	S	S	*	*			trans	-149.1	148.6	162.6	-85	-165.5	169.3	-73.3	0	107.9
1511	E	29.5	Very low	31.4	Very low	147 Å²	147	148 Å²	148	69%	0.687	79%	0.785	S	S	*	*			cis	-161.5	119.9	-23.8	-127.2	156.2	-153.5	0	0	106.1
1512	S	37	Very low	31.7	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	78%	0.781	S	S	*	*				167.2	164.1	96.5	55.1	0	0	0	0	107.9
1513	R	37.9	Very low	31.8	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	78%	0.781	S	S	*	*			cis	-142.5	140.4	6.6	-150.2	167.5	-177.3	163	-1.7	108.8
1514	T	28.1	Very low	31.2	Very low	121 Å²	121	147 Å²	147	74%	0.742	78%	0.778	S	S	*	*			trans	-103.7	148.2	-171.5	53.6	0	0	0	0	113.3
1515	K	30.3	Very low	30.6	Very low	183 Å²	183	147.1 Å²	147.1	80%	0.796	78%	0.778	S	S	*	*				162.7	158.4	120.8	-87.7	160.9	-175	179.6	0	114.8
1516	T	35.8	Very low	30.4	Very low	142 Å²	142	145.4 Å²	145.4	87%	0.871	77%	0.772	S	S	*	*			trans	65	143	161.2	45.9	0	0	0	0	119.9
1517	S	35.4	Very low	30.7	Very low	96 Å²	96	147.6 Å²	147.6	67%	0.671	77%	0.774	S	S	*	*			cis	-166.2	166.8	-15.8	69.1	0	0	0	0	114.6
1518	K	34.9	Very low	30.6	Very low	204 Å²	204	145.3 Å²	145.3	89%	0.887	77%	0.771	S	S	*	*			trans	73.4	111.3	154.5	-68.3	175	179.8	176.8	0	123.4
1519	G	31.9	Very low	30.7	Very low	83 Å²	83	147.2 Å²	147.2	86%	0.856	78%	0.779	S	S	*	*			trans	83.4	158	137.6	0	0	0	0	0	120.1
1520	R	31.7	Very low	30.9	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	79%	0.785	S	S	*	*			cis	-160.4	150.6	-21.1	-166.4	174.3	-178.4	166.4	0.8	110.4
1521	L	30.5	Very low	30.9	Very low	148 Å²	148	147.1 Å²	147.1	78%	0.775	79%	0.789	S	S	*	*			trans	-15	164.6	167.3	-77.8	81.3	0	0	0	121.4
1522	S	30	Very low	30.8	Very low	85 Å²	85	151 Å²	151	59%	0.594	80%	0.797	S	S	*	*			cis	177.7	147.2	-17.4	58.2	0	0	0	0	113.8
1523	F	27.3	Very low	30.5	Very low	191 Å²	191	152.9 Å²	152.9	84%	0.838	79%	0.792	S	S	*	*			trans	47.1	141.2	139	-80.9	-67.7	0	0	0	125.8
1524	L	26.8	Very low	30.1	Very low	142 Å²	142	147.5 Å²	147.5	74%	0.743	78%	0.777	S	S	*	*			trans	89.2	122.5	138.6	-77.2	169.8	0	0	0	123.7
1525	T	26.5	Very low	30.1	Very low	121 Å²	121	148.4 Å²	148.4	74%	0.742	77%	0.77	S	S	*	*			trans	35.8	142.6	137.3	54.3	0	0	0	0	125
1526	S	25.9	Very low	30	Very low	108 Å²	108	146.9 Å²	146.9	76%	0.755	77%	0.766	S	S	*	*			trans	-38.1	166.7	156.3	-37.5	0	0	0	0	116.4
1527	P	37.3	Very low	29.7	Very low	110 Å²	110	146.5 Å²	146.5	71%	0.714	76%	0.763	S	S	*	*			cis	-147.6	-178.8	20.6	46.2	-27.2	0	0	0	119
1528	L	25.9	Very low	29.2	Very low	153 Å²	153	150.7 Å²	150.7	80%	0.801	77%	0.769	S	S	*	*			trans	67.1	130.6	155.2	-70.7	166.3	0	0	0	122
1529	F	26.8	Very low	29.5	Very low	198 Å²	198	147.1 Å²	147.1	87%	0.868	77%	0.767	S	S	*	*			trans	18.5	113.4	155	-77.8	-91.2	0	0	0	121.6
1530	G	28.2	Very low	29.4	Very low	80 Å²	80	147.6 Å²	147.6	83%	0.825	76%	0.757	S	S	*	*			trans	-151.2	149.8	153.7	0	0	0	0	0	110.6
1531	K	30.9	Very low	29.4	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	75%	0.749	S	S	*	*			trans	-122.4	143.7	-178.7	-75.5	-177.2	178.2	176.4	0	111.7
1532	R	28.5	Very low	29.5	Very low	229 Å²	229	143 Å²	143	86%	0.864	75%	0.751	S	S	*	*			trans	66.6	153.1	155.1	-82.5	-177	175	-174.6	-3.9	116.2
1533	K	30.9	Very low	29.6	Very low	149 Å²	149	142.2 Å²	142.2	65%	0.648	76%	0.757	S	S	*	*			cis	-167.3	146.4	-21.2	-139.4	-173.8	176.6	-139.7	0	108
1534	E	28	Very low	29.7	Very low	129 Å²	129	139.9 Å²	139.9	60%	0.603	76%	0.758	S	S	*	*			trans	64.2	160.5	155.2	-78.4	163.6	-135.2	0	0	118.2
1535	K	29.7	Very low	30.2	Very low	140 Å²	140	138.8 Å²	138.8	61%	0.609	76%	0.756	S	S	*	*			cis	-158.8	156.3	8.2	-131.1	158	175.6	-92.9	0	111.9
1536	E	26.4	Very low	30.3	Very low	150 Å²	150	140.9 Å²	140.9	70%	0.701	76%	0.758	S	S	*	*			trans	61.7	153.5	148.3	-81.1	152.9	-148.5	0	0	122
1537	V	29.5	Very low	30.4	Very low	135 Å²	135	141.9 Å²	141.9	82%	0.818	75%	0.75	S	S	*	*			cis	-159.3	-179.3	-24.3	103.2	0	0	0	0	112.8
1538	K	26.3	Very low	30.5	Very low	184 Å²	184	143.8 Å²	143.8	80%	0.8	75%	0.753	S	S	*	*			trans	-76.1	179.1	-177.5	-50.4	171.9	166.5	177.3	0	115.1
1539	P	40.8	Very low	30.6	Very low	129 Å²	129	143 Å²	143	84%	0.838	74%	0.743	S	S	*	*				-149.3	-146.1	68.7	41.4	-17.7	0	0	0	116.9
1540	S	29.2	Very low	30.6	Very low	92 Å²	92	141.3 Å²	141.3	64%	0.643	74%	0.738	S	S	*	*			trans	-163.9	-160.8	-144.5	45.3	0	0	0	0	117.6
1541	E	32.8	Very low	30.8	Very low	152 Å²	152	143.4 Å²	143.4	71%	0.71	73%	0.734	S	S	*	*			trans	81	145.9	178.3	-70.2	98.3	-84.5	0	0	118.6
1542	T	31.8	Very low	30.8	Very low	136 Å²	136	137 Å²	137	83%	0.834	72%	0.722	S	S	*	*			cis	88.2	147	9.2	73.3	0	0	0	0	118.8
1543	G	32.2	Very low	30.7	Very low	68 Å²	68	134.1 Å²	134.1	70%	0.701	72%	0.718	S	S	*	*			cis	-120.6	-123.2	2.6	0	0	0	0	0	113.9
1544	V	29.9	Very low	30.7	Very low	142 Å²	142	134.8 Å²	134.8	86%	0.861	72%	0.723	S	S	*	*			cis	-165.4	170.9	-2.4	-155.5	0	0	0	0	108.8
1545	V	35.6	Very low	31.1	Very low	118 Å²	118	133.8 Å²	133.8	72%	0.715	73%	0.726	S	S	*	*			trans	149.8	117.9	139.7	164.9	0	0	0	0	116.7
1546	Q	30.5	Very low	31.1	Very low	165 Å²	165	133.6 Å²	133.6	77%	0.771	73%	0.731	S	S	*	*			trans	42.4	162.1	142.9	-60.9	177.7	-79.3	0	0	123.2
1547	E	27.1	Very low	31.3	Very low	129 Å²	129	134.5 Å²	134.5	60%	0.603	73%	0.733	S	S	*	*			cis	-153.2	-168.9	-2.5	-138.3	-161.8	128.7	0	0	112.2	K1549	E1547-K1549 IonicContact OE1-NZ 2.64Å; E1547-K1549 PolarHBondContact OE1-NZ 3.42Å; E1547-K1549 VanDerWaalsContact OE1-NZ 3.12Å
1548	I	39.5	Very low	31.2	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	72%	0.722	S	S	*	*			trans	71.8	131.2	170.1	-48.1	-176.2	0	0	0	115.4
1549	K	28.6	Very low	31.4	Very low	135 Å²	135	132.9 Å²	132.9	59%	0.587	72%	0.721	S	S	*	*			cis	161.8	128.6	-27	-105.1	170.8	174.1	145.2	0	106.2	E1547	E1547-K1549 IonicContact OE1-NZ 2.64Å; E1547-K1549 PolarHBondContact OE1-NZ 3.42Å; E1547-K1549 VanDerWaalsContact OE1-NZ 3.12Å
1550	H	27.3	Very low	31.2	Very low	163 Å²	163	130 Å²	130	76%	0.755	70%	0.698	S	S	*	*			trans	61.6	159.8	148.3	-58.4	-42.5	0	0	0	119
1551	V	30.8	Very low	31.2	Very low	125 Å²	125	132.3 Å²	132.3	76%	0.758	70%	0.702	S	S	*	*			cis	-145.4	143	-15.5	116	0	0	0	0	104.8
1552	G	30.9	Very low	30.8	Very low	55 Å²	55	135.1 Å²	135.1	57%	0.567	71%	0.706	S	S	*	*				77.4	143	71.9	0	0	0	0	0	111.5
1553	H	27.7	Very low	30.8	Very low	169 Å²	169	136.1 Å²	136.1	78%	0.782	70%	0.695	S	S	*	*			cis	-168.2	167.7	-3.9	-137.2	-81.2	0	0	0	110.4
1554	Q	29.9	Very low	30.7	Very low	163 Å²	163	145.1 Å²	145.1	76%	0.762	71%	0.708	S	S	*	*			trans	70.7	171	161.8	-56.9	174.8	27.8	0	0	119.6
1555	T	36.6	Very low	30.6	Very low	108 Å²	108	142 Å²	142	66%	0.663	69%	0.69	S	S	*	*			trans	74.3	132.1	149.8	36.2	0	0	0	0	121.9
1556	L	30.8	Very low	30.1	Very low	136 Å²	136	142.8 Å²	142.8	71%	0.712	69%	0.69	S	S	*	*			trans	39.2	132.6	131.8	-63.1	167.6	0	0	0	120.9
1557	K	29.4	Very low	29.8	Very low	169 Å²	169	140.3 Å²	140.3	74%	0.735	69%	0.686	S	S	*	*			trans	73.1	126.6	149.3	-68.2	169.3	-176.1	179.2	0	113.6
1558	N	27.9	Very low	29.6	Very low	111 Å²	111	142 Å²	142	59%	0.594	69%	0.691	S	S	*	*				63.2	139.5	83.3	-54.5	-5.2	0	0	0	112.1
1559	F	29.6	Very low	28.8	Very low	175 Å²	175	140 Å²	140	77%	0.768	68%	0.683	S	S	*	*			cis	-106.2	-112.8	16.6	-85.7	-84.8	0	0	0	115.8
1560	D	37.1	Very low	28.6	Very low	69 Å²	69	137.9 Å²	137.9	37%	0.369	69%	0.685	S	S	.	*			trans	-166.5	173.5	-138.4	-104.3	-60.6	0	0	0	110.4	R1563	D1560-R1563 WeakPolarHBondContact OD1-CG 3.1Å; D1560-R1563 IonicContact OD1-NE 3.45Å; D1560-R1563 PolarHBondContact OD1-NE 2.88Å; D1560-R1563 IonicContact OD2-CZ 3.19Å; D1560-R1563 IonicContact OD2-NE 3.02Å; D1560-R1563 PolarHBondContact OD2-NE 3.43Å; D1560-R1563 IonicContact OD2-NH2 3.73Å; D1560-R1563 PolarHBondContact OD2-NH2 3.02Å
1561	L	29.6	Very low	28.9	Very low	139 Å²	139	136.4 Å²	136.4	73%	0.728	68%	0.683	S	S	*	*	S	Bend	cis	-127.5	139.4	17.3	-78.7	170.7	0	0	0	110.4
1562	R	24.5	Very low	29.2	Very low	211 Å²	211	137.8 Å²	137.8	80%	0.796	68%	0.68	S	S	*	*			cis	-140.3	138.9	2.2	-56	-171.8	-178.1	-165.4	-0.7	112.1
1563	R	31.9	Very low	29.5	Very low	158 Å²	158	140.5 Å²	140.5	60%	0.596	69%	0.691	S	S	*	*				13.9	133.9	121.2	-47.3	-168.2	-174.4	-169.4	-1.6	116.5	D1560	D1560-R1563 WeakPolarHBondContact OD1-CG 3.1Å; D1560-R1563 IonicContact OD1-NE 3.45Å; D1560-R1563 PolarHBondContact OD1-NE 2.88Å; D1560-R1563 IonicContact OD2-CZ 3.19Å; D1560-R1563 IonicContact OD2-NE 3.02Å; D1560-R1563 PolarHBondContact OD2-NE 3.43Å; D1560-R1563 IonicContact OD2-NH2 3.73Å; D1560-R1563 PolarHBondContact OD2-NH2 3.02Å
1564	R	30.3	Very low	29.7	Very low	256 Å²	256	138.4 Å²	138.4	97%	0.966	69%	0.685	S	S	*	*			cis	-53.7	130.2	39.6	-63.9	-174.8	-178.8	-166.4	0.3	116.1
1565	P	26.6	Very low	29.9	Very low	77 Å²	77	138.1 Å²	138.1	50%	0.5	68%	0.684	S	S	.	*				-123.3	177.3	115.9	40	-36.5	0	0	0	111.7
1566	L	25.7	Very low	29.4	Very low	134 Å²	134	139.4 Å²	139.4	70%	0.702	69%	0.687	S	S	*	*			trans	9.7	129.1	133.2	-65.6	84.5	0	0	0	116
1567	T	23.6	Very low	29.1	Very low	114 Å²	114	139.9 Å²	139.9	70%	0.699	68%	0.683	S	S	*	*				55.3	149.3	61.3	76.1	0	0	0	0	113.6
1568	K	23.4	Very low	29	Very low	163 Å²	163	139.4 Å²	139.4	71%	0.709	68%	0.683	S	S	*	*			trans	73.5	134.5	-180	-59.3	-171.4	145.8	-75.2	0	114.1
1569	D	23.5	Very low	28.8	Very low	110 Å²	110	138.6 Å²	138.6	59%	0.588	69%	0.686	S	S	*	*			cis	-148.1	-161.3	-13.7	-99.4	-30.8	0	0	0	107.4
1570	S	24.4	Very low	28.5	Very low	91 Å²	91	134.8 Å²	134.8	64%	0.636	68%	0.681	S	S	*	*			trans	27.7	115.2	135.5	67	0	0	0	0	116.4
1571	D	32.1	Very low	28	Very low	132 Å²	132	135.9 Å²	135.9	71%	0.706	70%	0.695	S	S	*	*	S	Bend	cis	-139.3	148.4	47.1	-62.8	-38.8	0	0	0	113.4
1572	H	38.9	Very low	27.8	Very low	153 Å²	153	137.2 Å²	137.2	71%	0.708	70%	0.697	S	S	*	*	S	Bend	cis	-147.5	130.5	-14.7	-87.3	-26.6	0	0	0	105.1
1573	S	36.2	Very low	27.8	Very low	112 Å²	112	132 Å²	132	78%	0.783	69%	0.689	S	S	*	*				142.7	160.8	94.9	53.4	0	0	0	0	108.4
1574	N	32.5	Very low	27.4	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	69%	0.694	S	S	*	*			cis	-159.1	158.8	-45.2	-129.2	-22.9	0	0	0	109.3
1575	Q	33.6	Very low	27.3	Very low	158 Å²	158	123.8 Å²	123.8	74%	0.738	68%	0.68	S	S	*	*			trans	54.1	144.8	150.2	-65.9	150	3.5	0	0	120.2
1576	N	26.8	Very low	27.2	Very low	135 Å²	135	124.5 Å²	124.5	72%	0.722	69%	0.687	S	S	*	*			cis	79.1	88.2	3.4	-155	26.1	0	0	0	118.3
1577	K	24.1	Very low	27.4	Very low	146 Å²	146	126.2 Å²	126.2	64%	0.635	69%	0.691	S	S	*	*			trans	64.9	148.4	168.6	-48	175.2	-173.6	174.3	0	114.7
1578	H	26.7	Very low	27.4	Very low	158 Å²	158	124.7 Å²	124.7	73%	0.731	69%	0.685	S	S	*	*			cis	-145.4	162.4	25	-118.3	-82	0	0	0	112.5
1579	S	23.3	Very low	27.5	Very low	94 Å²	94	123.8 Å²	123.8	66%	0.657	68%	0.683	S	S	*	*			trans	55.9	142.4	151.2	55	0	0	0	0	122
1580	S	24.1	Very low	27.5	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	69%	0.686	S	S	*	*			trans	61.3	132.3	142.1	63.1	0	0	0	0	120.3
1581	S	25.3	Very low	27.4	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	69%	0.691	S	S	*	*				54.4	134.4	129.8	69.1	0	0	0	0	119.5
1582	Q	25.9	Very low	27	Very low	166 Å²	166	128 Å²	128	78%	0.776	69%	0.687	S	S	*	*			cis	-160	-173.6	14.2	-132.4	172	-67.1	0	0	109.5
1583	V	24.7	Very low	26.2	Very low	103 Å²	103	131 Å²	131	62%	0.624	69%	0.691	S	S	*	*				24.1	108.8	96.7	174.5	0	0	0	0	110
1584	D	23.7	Very low	25.7	Very low	132 Å²	132	130.8 Å²	130.8	71%	0.706	69%	0.689	S	S	*	*			cis	-166.5	-178.1	26.2	-108	-8.3	0	0	0	108.4
1585	T	27.9	Very low	25.4	Very low	109 Å²	109	132.1 Å²	132.1	67%	0.669	70%	0.695	S	S	*	*			cis	-154	-166.7	1.8	13.9	0	0	0	0	107.3
1586	S	25.4	Very low	25	Very low	92 Å²	92	134.3 Å²	134.3	64%	0.643	70%	0.696	S	S	*	*			trans	35.8	125	136.2	62.6	0	0	0	0	119.7
1587	E	29	Very low	25	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	70%	0.696	S	S	*	*			cis	-155.7	141.5	9.4	-111.2	179.2	157.3	0	0	107.3
1588	S	24.2	Very low	25	Very low	82 Å²	82	135.6 Å²	135.6	57%	0.573	70%	0.695	S	S	*	*				55.3	139.4	89.8	-60.8	0	0	0	0	113.3
1589	Q	24.8	Very low	25	Very low	144 Å²	144	136.6 Å²	136.6	67%	0.673	70%	0.698	S	S	*	*			cis	179.9	153.3	0.6	-114.8	171.9	59.5	0	0	105.1
1590	T	24	Very low	25.2	Very low	105 Å²	105	136.9 Å²	136.9	64%	0.644	70%	0.7	S	S	*	*			trans	63.3	-179.9	145.6	73.9	0	0	0	0	115.9
1591	R	22.7	Very low	25.4	Very low	199 Å²	199	137.7 Å²	137.7	75%	0.751	71%	0.705	S	S	*	*			cis	-156.4	169.8	-20.2	-123.7	159.8	-179.6	172.9	-1.4	108.5
1592	I	24.1	Very low	25.5	Very low	118 Å²	118	137.8 Å²	137.8	61%	0.605	71%	0.706	S	S	*	*			trans	43.8	98.8	139.3	-67.5	163.4	0	0	0	115.8
1593	R	22.4	Very low	25.8	Very low	214 Å²	214	138.8 Å²	138.8	81%	0.808	71%	0.708	S	S	*	*				78.2	153	101.7	-75.2	-177.7	167.7	127.2	-5.2	115.2
1594	C	24.1	Very low	26	Very low	109 Å²	109	140.9 Å²	140.9	74%	0.736	71%	0.71	S	S	*	*			trans	18.5	127.8	139.3	-41.9	0	0	0	0	117.1
1595	I	27.2	Very low	26.4	Very low	153 Å²	153	140.8 Å²	140.8	79%	0.785	71%	0.708	S	S	*	*				-163.9	121.7	72.7	-86.9	164.5	0	0	0	106.3
1596	R	24.1	Very low	26.6	Very low	203 Å²	203	141.6 Å²	141.6	77%	0.766	71%	0.705	S	S	*	*				65.9	122.2	87.4	-140.7	-170.2	-164.1	162.9	4.2	113.3
1597	R	26.5	Very low	27	Very low	194 Å²	194	142.2 Å²	142.2	73%	0.732	71%	0.709	S	S	*	*			trans	71.2	151.6	169.6	-59.8	-172.3	-169.6	125.2	-5	115.9
1598	D	25.1	Very low	27.1	Very low	115 Å²	115	139.2 Å²	139.2	62%	0.615	70%	0.695	S	S	*	*			cis	-161.4	162.4	-14	-109.5	-13.4	0	0	0	111.7
1599	K	27.4	Very low	27.5	Very low	179 Å²	179	143.1 Å²	143.1	78%	0.778	70%	0.702	S	S	*	*			trans	70.3	131.7	149.2	-72.9	165.5	-175.5	176.7	0	122.2
1600	S	26.4	Very low	27.9	Very low	100 Å²	100	142.8 Å²	142.8	70%	0.699	70%	0.7	S	S	*	*			trans	69.2	91.9	134.1	66.9	0	0	0	0	121.8
1601	S	28.4	Very low	28.5	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	70%	0.701	S	S	*	*				76	134.8	108.4	73.4	0	0	0	0	123.2
1602	S	28.7	Very low	28.8	Very low	96 Å²	96	141.3 Å²	141.3	67%	0.671	70%	0.698	S	S	*	*			trans	103.9	144	130.7	-144.2	0	0	0	0	119
1603	K	31.2	Very low	29.2	Very low	187 Å²	187	140 Å²	140	81%	0.813	70%	0.7	S	S	*	*			trans	72.7	149.1	153.5	-78.3	159.9	-174.3	-179	0	117.6
1604	H	29.5	Very low	29.7	Very low	146 Å²	146	134.3 Å²	134.3	68%	0.676	69%	0.693	S	S	*	*			cis	-168.4	-161.5	-11.1	-170.9	-106	0	0	0	109.2
1605	I	32.5	Very low	30.1	Very low	130 Å²	130	137.6 Å²	137.6	67%	0.667	70%	0.695	S	S	*	*			trans	85.2	103.2	160	-58.3	175.8	0	0	0	113.3
1606	Q	31.9	Very low	30.2	Very low	126 Å²	126	135.3 Å²	135.3	59%	0.589	68%	0.684	S	S	*	*				77.8	160.4	72.8	-70.9	173.7	-68.6	0	0	112.7	E1608	Q1606-E1608 PolarHBondContact NE2-OE2 3.36Å
1607	S	32	Very low	30.9	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	68%	0.684	S	S	*	*			cis	-163.2	170.9	6.1	16.7	0	0	0	0	109.6
1608	E	31.3	Very low	31.2	Very low	107 Å²	107	129.4 Å²	129.4	50%	0.5	69%	0.686	S	S	.	*			cis	178.1	146.1	-30.6	-102	169	64.9	0	0	108.1	Q1606	Q1606-E1608 PolarHBondContact NE2-OE2 3.36Å
1609	K	33.1	Very low	31.5	Very low	163 Å²	163	131.6 Å²	131.6	71%	0.709	70%	0.697	S	S	*	*			trans	66	170.8	156.5	-64.2	155.7	176.7	154.5	0	117.3
1610	Q	33.6	Very low	31.5	Very low	137 Å²	137	127.3 Å²	127.3	64%	0.64	69%	0.69	S	S	*	*			cis	-151	-177	-16.8	-120.2	159.3	-99.5	0	0	105.8
1611	H	35.5	Very low	31.8	Very low	144 Å²	144	130.4 Å²	130.4	67%	0.667	70%	0.698	S	S	*	*			cis	-162.6	179.5	8.1	-132.9	-19.3	0	0	0	106.5
1612	N	30.9	Very low	32.2	Very low	129 Å²	129	129.3 Å²	129.3	69%	0.69	70%	0.696	S	S	*	*			cis	-154.3	-165.8	-7.7	-160	6.5	0	0	0	108.7
1613	S	32.6	Very low	32.7	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	70%	0.704	S	S	*	*			trans	-145.8	-161.1	177.2	66	0	0	0	0	113.6
1614	S	31.6	Very low	32.7	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	71%	0.706	S	S	*	*			trans	95.8	162.4	152.5	-53	0	0	0	0	117.7
1615	K	32.9	Very low	33.1	Very low	178 Å²	178	126 Å²	126	77%	0.774	71%	0.709	S	S	*	*			cis	-172.3	173.3	-17.2	-110.2	-174.8	172.9	-87.3	0	108.4
1616	N	29.7	Very low	32.8	Very low	105 Å²	105	126.7 Å²	126.7	56%	0.561	71%	0.714	S	S	*	*			cis	-164.9	146	-17.8	-165.8	101.4	0	0	0	108.2
1617	T	37.5	Very low	32.8	Very low	126 Å²	126	128 Å²	128	77%	0.773	72%	0.724	S	S	*	*			trans	-146.5	147.5	160.5	34.2	0	0	0	0	110.6
1618	L	33.1	Very low	32.6	Very low	146 Å²	146	127 Å²	127	76%	0.764	71%	0.714	S	S	*	*			cis	-105.2	-126.4	3.2	-67.6	167.4	0	0	0	112.7
1619	L	30.8	Very low	32.5	Very low	162 Å²	162	128.5 Å²	128.5	85%	0.848	73%	0.725	S	S	*	*			trans	-159.4	165.4	-150.3	-70.4	178.6	0	0	0	109.2
1620	S	29.3	Very low	32	Very low	89 Å²	89	125 Å²	125	62%	0.622	72%	0.717	S	S	*	*			cis	179.7	147	-17	53	0	0	0	0	109.8
1621	N	32.6	Very low	31.8	Very low	165 Å²	165	126.2 Å²	126.2	88%	0.882	72%	0.721	S	S	*	*			trans	170.1	146.9	153.6	-93	-18.2	0	0	0	109.1
1622	A	36.2	Very low	31.2	Very low	87 Å²	87	125 Å²	125	72%	0.719	72%	0.719	S	S	*	*			cis	-155.5	-171.6	-13.2	0	0	0	0	0	110.3
1623	H	38.3	Very low	30.9	Very low	185 Å²	185	125.2 Å²	125.2	86%	0.856	73%	0.725	S	S	*	*			trans	-40.7	154.8	-178.7	-76.2	-97	0	0	0	120
1624	A	33	Very low	31.2	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	73%	0.729	S	S	*	*			trans	27.1	118.6	138.8	0	0	0	0	0	119.8
1625	G	36.2	Very low	30.8	Very low	71 Å²	71	129.6 Å²	129.6	73%	0.732	74%	0.739	S	S	*	*			trans	-173.3	50.9	175.7	0	0	0	0	0	114.9
1626	N	26.5	Very low	30.5	Very low	145 Å²	145	124.7 Å²	124.7	78%	0.775	73%	0.731	S	S	*	*			trans	66	154.8	175.9	-60.7	-9.3	0	0	0	117
1627	I	32.2	Very low	30.3	Very low	155 Å²	155	124.7 Å²	124.7	80%	0.795	74%	0.74	S	S	*	*			cis	27	104.6	-10.8	-38.3	175.8	0	0	0	115.6
1628	P	27.4	Very low	29.8	Very low	83 Å²	83	124.9 Å²	124.9	54%	0.539	74%	0.741	S	S	.	*				-152.5	-170.6	70.6	42.8	-22.6	0	0	0	113.4
1629	L	30	Very low	29.6	Very low	140 Å²	140	126 Å²	126	73%	0.733	74%	0.739	S	S	*	*			cis	-121.9	145.7	-1.9	-64.4	153.8	0	0	0	106.4
1630	T	22.4	Very low	29.7	Very low	88 Å²	88	124.8 Å²	124.8	54%	0.54	73%	0.733	S	S	.	*				47.1	136.8	63.7	68.8	0	0	0	0	112.5
1631	F	29	Very low	29.8	Very low	164 Å²	164	125.7 Å²	125.7	72%	0.719	74%	0.739	S	S	*	*			cis	-139	142.3	33.1	-94.6	-102.2	0	0	0	113.3
1632	N	23.4	Very low	29.9	Very low	117 Å²	117	122.5 Å²	122.5	63%	0.626	73%	0.73	S	S	*	*				29.2	154.1	123.6	-54.7	1.4	0	0	0	122.3
1633	T	24.8	Very low	29.5	Very low	134 Å²	134	126.4 Å²	126.4	82%	0.822	74%	0.735	S	S	*	*			trans	79	139.3	144.7	33.1	0	0	0	0	118.9
1634	P	37.9	Very low	29.3	Very low	112 Å²	112	124.9 Å²	124.9	73%	0.727	73%	0.728	S	S	*	*			trans	-91.8	158.2	-178.2	38.2	-35.3	0	0	0	112.1
1635	I	24.7	Very low	29.1	Very low	166 Å²	166	122 Å²	122	85%	0.851	70%	0.702	S	S	*	*			trans	-173.1	157.6	146.4	-102.1	152.1	0	0	0	108.5
1636	A	26.4	Very low	28.9	Very low	75 Å²	75	122.2 Å²	122.2	62%	0.62	69%	0.692	S	S	*	*			trans	22	112.4	162.7	0	0	0	0	0	118.6
1637	S	24.3	Very low	29	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	69%	0.69	S	S	*	*				76.2	147	87.1	-60.2	0	0	0	0	114.9
1638	T	28.5	Very low	29.1	Very low	130 Å²	130	116.5 Å²	116.5	80%	0.798	69%	0.689	S	S	*	*			trans	70.1	149	177.4	76.7	0	0	0	0	114.2
1639	K	28.1	Very low	29.3	Very low	169 Å²	169	122 Å²	122	74%	0.735	71%	0.707	S	S	*	*			cis	-159.9	166.6	-6.7	-121.5	167.9	175.6	-176.9	0	108.1
1640	I	32.5	Very low	29.3	Very low	138 Å²	138	118.3 Å²	118.3	71%	0.708	70%	0.703	S	S	*	*			trans	32.1	116.1	138.8	-60.9	164.2	0	0	0	114.7
1641	S	31.4	Very low	29.7	Very low	107 Å²	107	118.9 Å²	118.9	75%	0.748	71%	0.711	S	S	*	*			cis	165	176	36.4	47.8	0	0	0	0	105.5
1642	S	34.3	Very low	29.4	Very low	99 Å²	99	119.5 Å²	119.5	69%	0.692	72%	0.716	S	S	*	*			cis	-158.1	131.6	-4.5	36.3	0	0	0	0	104.8
1643	M	28.6	Very low	29.5	Very low	168 Å²	168	119 Å²	119	83%	0.828	72%	0.72	S	S	*	*				35.5	120.2	87.4	-56.9	-162.2	75.6	0	0	113.1
1644	Q	32.9	Very low	29.5	Very low	153 Å²	153	117.9 Å²	117.9	72%	0.715	72%	0.718	S	S	*	*				170.1	175	85	-88.9	-167.7	-75	0	0	108	Q1759	Q1644-Q1759 CarbonylContact C-O 3.54Å
1645	S	29.2	Very low	29	Very low	43 Å²	43	117.2 Å²	117.2	30%	0.301	72%	0.716	S	S	.	*			cis	-178.6	160.3	-38.8	60.9	0	0	0	0	108.2	Q1759	S1645-Q1759 WeakPolarHBondContact CA-O 3.42Å; S1645-Q1759 PolarHBondContact N-O 3.06Å
1646	S	31.7	Very low	29.2	Very low	75 Å²	75	114.5 Å²	114.5	52%	0.524	71%	0.712	S	S	.	*			trans	70	154.3	-168.1	90.3	0	0	0	0	113.5	Q1759	S1646-Q1759 WeakPolarHBondContact O-CA 3.42Å; S1646-Q1759 PolarHBondContact O-N 3.39Å
1647	S	30.4	Very low	29.3	Very low	104 Å²	104	117.7 Å²	117.7	73%	0.727	72%	0.718	S	S	*	*			cis	-163	170.3	-18.4	49.4	0	0	0	0	108.8
1648	G	32.9	Very low	29.4	Very low	76 Å²	76	119.4 Å²	119.4	78%	0.784	72%	0.718	S	S	*	*			trans	168.3	108.2	174.6	0	0	0	0	0	113.1
1649	H	33	Very low	29.6	Very low	198 Å²	198	119.4 Å²	119.4	92%	0.917	72%	0.718	S	S	*	*			trans	-114	157.9	-177.4	-85.3	-89.9	0	0	0	112
1650	G	28.3	Very low	29.5	Very low	63 Å²	63	118.9 Å²	118.9	65%	0.649	72%	0.718	S	S	*	*			trans	108.9	96.9	140.7	0	0	0	0	0	118.2
1651	S	30.5	Very low	29.5	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	73%	0.726	S	S	*	*				37.3	138.1	123.6	56.5	0	0	0	0	122.2
1652	E	24.6	Very low	29.3	Very low	177 Å²	177	123 Å²	123	83%	0.827	73%	0.726	S	S	*	*			trans	70.1	155.8	150.5	-70.2	170.5	-139.4	0	0	117.3
1653	C	25.2	Very low	29	Very low	105 Å²	105	124.1 Å²	124.1	71%	0.709	74%	0.735	S	S	*	*			cis	-161.8	175.7	-30	-116.8	0	0	0	0	108.4
1654	S	25.3	Very low	29	Very low	112 Å²	112	120.9 Å²	120.9	78%	0.783	74%	0.735	S	S	*	*			trans	74.4	160.5	173.2	-34	0	0	0	0	115.7
1655	S	26.8	Very low	28.7	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	74%	0.743	S	S	*	*				177.5	135.6	-57.8	50	0	0	0	0	108.9
1656	S	29.1	Very low	28.6	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	77%	0.765	S	S	*	*			trans	65.3	162.7	166.9	81.4	0	0	0	0	115.8
1657	L	27.9	Very low	28.4	Very low	142 Å²	142	130.3 Å²	130.3	74%	0.743	77%	0.771	S	S	*	*			cis	-143.3	151.4	7.9	-90.2	174.3	0	0	0	110.6
1658	L	27	Very low	28.3	Very low	141 Å²	141	135 Å²	135	74%	0.738	78%	0.778	S	S	*	*			trans	59.2	153.8	148.9	-61.2	165.7	0	0	0	118.1
1659	T	31.6	Very low	28.2	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	78%	0.776	S	S	*	*			cis	-147.9	168.8	32.2	-47	0	0	0	0	111.9
1660	E	26.9	Very low	28.2	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	77%	0.766	S	S	*	*			trans	-82.5	158.4	-171.4	-49.2	166.1	111.3	0	0	115.2
1661	H	32.9	Very low	28.3	Very low	189 Å²	189	135.8 Å²	135.8	88%	0.875	77%	0.77	S	S	*	*				-165.3	160.5	126.7	-124.3	-100	0	0	0	113.7
1662	N	26.1	Very low	28.3	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	77%	0.765	S	S	*	*			trans	-112.2	145.8	-170	-81.1	-69.6	0	0	0	115.2
1663	S	28.1	Very low	28.6	Very low	124 Å²	124	133.7 Å²	133.7	87%	0.867	76%	0.761	S	S	*	*			trans	157.7	152.9	154.9	43.7	0	0	0	0	110.6
1664	A	28.7	Very low	28.7	Very low	100 Å²	100	132.9 Å²	132.9	83%	0.826	76%	0.756	S	S	*	*			cis	-149.7	-156.8	-10.7	0	0	0	0	0	110.8
1665	W	26.3	Very low	29	Very low	234 Å²	234	133.3 Å²	133.3	89%	0.886	75%	0.749	S	S	*	*			trans	-103.9	154.7	-157	-69.5	-2.1	0	0	0	118.9
1666	N	27.8	Very low	29.3	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	75%	0.75	S	S	*	*			trans	62	138.1	143.3	-68.5	-29.6	0	0	0	119.5
1667	S	26.3	Very low	29.6	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	75%	0.754	S	S	*	*			cis	-174.9	163.7	40.1	64.4	0	0	0	0	114.3
1668	K	28.2	Very low	29.8	Very low	201 Å²	201	143.4 Å²	143.4	87%	0.874	76%	0.763	S	S	*	*			trans	64	147.9	155.9	-66.4	166.9	-177.3	174.4	0	119
1669	A	32	Very low	30.1	Very low	90 Å²	90	142.4 Å²	142.4	74%	0.744	77%	0.766	S	S	*	*			cis	-163.5	148.3	-17	0	0	0	0	0	112.5
1670	E	31.9	Very low	30.1	Very low	153 Å²	153	146.2 Å²	146.2	72%	0.715	77%	0.772	S	S	*	*			trans	23.6	145.4	154.1	-93.5	-164.3	-128.6	0	0	124.8	N1672	E1670-N1672 PolarHBondContact OE2-ND2 3.12Å
1671	P	31.6	Very low	30.3	Very low	111 Å²	111	145.3 Å²	145.3	72%	0.721	76%	0.762	S	S	*	*				-154.6	128.5	89.5	37.9	-17.2	0	0	0	120.6
1672	N	30.9	Very low	30.3	Very low	114 Å²	114	142.7 Å²	142.7	61%	0.61	75%	0.75	S	S	*	*			trans	36.8	119.2	135.2	-75.1	-70.2	0	0	0	126.6	E1670	E1670-N1672 PolarHBondContact OE2-ND2 3.12Å
1673	T	30.4	Very low	30.6	Very low	121 Å²	121	142.9 Å²	142.9	74%	0.742	75%	0.746	S	S	*	*				90.6	141.6	125.8	63.9	0	0	0	0	126.4
1674	S	28.1	Very low	31.5	Very low	87 Å²	87	145 Å²	145	61%	0.608	74%	0.742	S	S	*	*			trans	95.9	144.4	152.8	-62.6	0	0	0	0	121
1675	L	30.5	Very low	32.2	Very low	122 Å²	122	148.4 Å²	148.4	64%	0.639	74%	0.74	S	S	*	*			cis	-172.7	142.5	-21.8	-119.7	173.5	0	0	0	115.3
1676	R	33.4	Very low	32.1	Very low	187 Å²	187	145 Å²	145	71%	0.706	73%	0.733	S	S	*	*			trans	74.2	169.1	151.1	-116.7	-179.1	-171	160.4	6.8	122.8	S1694	R1676-S1694 PolarHBondContact NH2-O 3.47Å
1677	C	34.7	Very low	32	Very low	123 Å²	123	143.7 Å²	143.7	83%	0.831	73%	0.731	S	S	*	*			trans	-135	151.8	-170.4	-27.4	0	0	0	0	113.7
1678	R	33	Very low	32.1	Very low	250 Å²	250	146.6 Å²	146.6	94%	0.943	73%	0.734	S	S	*	*			trans	-175.4	174.6	142	-129.8	-178	177.2	168.4	-0.2	114.5
1679	C	32.6	Very low	32.1	Very low	119 Å²	119	144.2 Å²	144.2	80%	0.804	73%	0.726	S	S	*	*			trans	-95.4	142.2	-176.1	-36.3	0	0	0	0	114.5
1680	K	31	Very low	32.1	Very low	211 Å²	211	147.3 Å²	147.3	92%	0.917	73%	0.725	S	S	*	*			trans	-178	150.3	142.1	-110.4	-174.8	177.8	-169.8	0	112.6
1681	R	32.2	Very low	32.2	Very low	139 Å²	139	147.5 Å²	147.5	53%	0.525	73%	0.725	S	S	.	*			trans	-97.9	146	157.6	-174.5	171.3	175.2	-164.3	-12.1	106.1	N2150	R1681-N2150 VanDerWaalsContact NH1-CB 3.33Å; R1681-N2150 VanDerWaalsContact NH1-CG 3.34Å; R1681-N2150 PolarHBondContact NH1-ND2 2.78Å; R1681-N2150 PolarHBondContact NH1-O 3.47Å; R1681-N2150 PolarHBondContact NH2-O 3.47Å; R1681-N2150 PolarHBondContact NH2-OXT 3.38Å
1682	H	31.9	Very low	32.1	Very low	134 Å²	134	147.4 Å²	147.4	62%	0.62	72%	0.715	S	S	*	*			cis	-146.3	179.5	9.3	-130.3	-9.8	0	0	0	107.5
1683	H	32.6	Very low	32.2	Very low	146 Å²	146	148.4 Å²	148.4	68%	0.676	72%	0.716	S	S	*	*			cis	-153.5	-147.8	-3.5	-170.2	14.8	0	0	0	108.1	H1685	H1683-H1685 PolarHBondContact O-N 3.02Å
1684	H	47.7	Very low	32.1	Very low	168 Å²	168	147.4 Å²	147.4	78%	0.778	71%	0.714	S	S	*	*	S	Bend	trans	-73.6	81.9	175.3	-85.6	-50.6	0	0	0	113.6
1685	H	42.9	Very low	32.2	Very low	171 Å²	171	146.2 Å²	146.2	79%	0.792	72%	0.716	S	S	*	*			trans	-156.7	112.2	157.4	-99.6	-86.6	0	0	0	107.2	H1683	H1683-H1685 PolarHBondContact O-N 3.02Å
1686	H	25.4	Very low	32.1	Very low	162 Å²	162	147.6 Å²	147.6	75%	0.75	73%	0.729	S	S	*	*				89.8	135.3	89.8	-107.8	-87.2	0	0	0	115.6
1687	T	24.9	Very low	31.8	Very low	116 Å²	116	142.2 Å²	142.2	71%	0.712	73%	0.732	S	S	*	*			trans	80.4	125.7	159.1	55.8	0	0	0	0	123.5
1688	H	28.7	Very low	31.6	Very low	153 Å²	153	144.6 Å²	144.6	71%	0.708	73%	0.731	S	S	*	*			trans	56.9	104.3	153	-62.5	-64	0	0	0	125.2
1689	Q	27.2	Very low	31.3	Very low	151 Å²	151	143 Å²	143	71%	0.706	73%	0.725	S	S	*	*				34	146	111.2	-60.9	162.9	-53.5	0	0	123.5
1690	H	33.3	Very low	31.2	Very low	156 Å²	156	142.2 Å²	142.2	72%	0.722	72%	0.72	S	S	*	*			trans	99	103.1	155	-64.1	-69.4	0	0	0	123
1691	H	33.2	Very low	31.2	Very low	156 Å²	156	140.9 Å²	140.9	72%	0.722	72%	0.716	S	S	*	*			trans	50.4	124.8	130.1	-70.3	-41.8	0	0	0	127.5
1692	H	30.2	Very low	30.9	Very low	110 Å²	110	146.5 Å²	146.5	51%	0.509	74%	0.737	S	S	.	*				85.8	134.2	129.6	-84.4	-79.4	0	0	0	127.7
1693	H	31.5	Very low	30.6	Very low	134 Å²	134	145.5 Å²	145.5	62%	0.62	74%	0.744	S	S	*	*			trans	82.2	120.2	142.5	-78.7	-54.8	0	0	0	127.2
1694	S	30.1	Very low	30.3	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	75%	0.754	S	S	*	*			trans	77.9	164.5	136	82.4	0	0	0	0	121.8	R1676	R1676-S1694 PolarHBondContact NH2-O 3.47Å
1695	G	29.5	Very low	29.2	Very low	63 Å²	63	147.9 Å²	147.9	65%	0.649	76%	0.761	S	S	*	*			trans	106.4	86.3	157.8	0	0	0	0	0	119.1
1696	T	28.5	Very low	28.5	Very low	151 Å²	151	144.9 Å²	144.9	93%	0.926	76%	0.759	S	S	*	*			trans	7.6	138.1	152	56.7	0	0	0	0	121.7
1697	G	27.6	Very low	28.7	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	76%	0.759	S	S	*	*			trans	159.8	81.7	150.9	0	0	0	0	0	121.1
1698	Q	29.2	Very low	28.8	Very low	173 Å²	173	146.4 Å²	146.4	81%	0.808	77%	0.77	S	S	*	*			trans	63	139	150	-66.7	-163.5	7.9	0	0	123.9
1699	R	28	Very low	28.7	Very low	215 Å²	215	143.4 Å²	143.4	81%	0.811	77%	0.771	S	S	*	*			trans	96.7	116.3	135.2	-92.3	178.3	-176.9	-150.2	-2.8	122.3
1700	C	28.6	Very low	28.8	Very low	103 Å²	103	142.6 Å²	142.6	70%	0.696	78%	0.781	S	S	*	*			trans	103.2	141.8	138.8	-62.3	0	0	0	0	120.5
1701	H	31.5	Very low	28.5	Very low	184 Å²	184	144.7 Å²	144.7	85%	0.852	78%	0.783	S	S	*	*			trans	60	98.6	168.4	-61.8	-73.4	0	0	0	121.2
1702	R	26.9	Very low	28.6	Very low	256 Å²	256	143.1 Å²	143.1	97%	0.966	79%	0.786	S	S	*	*				-155.3	175.5	120.3	-130.2	179.9	-177.3	-176.8	0.2	111.6
1703	C	25.9	Very low	28.5	Very low	113 Å²	113	142.6 Å²	142.6	76%	0.764	79%	0.787	S	S	*	*			trans	-73.9	168.8	-176.5	-54.9	0	0	0	0	113.8
1704	L	25.9	Very low	28.5	Very low	170 Å²	170	144.7 Å²	144.7	89%	0.89	80%	0.797	S	S	*	*			trans	58.2	100.5	156.6	-75.8	159.7	0	0	0	117.5
1705	Q	24.1	Very low	28.6	Very low	194 Å²	194	147.2 Å²	147.2	91%	0.907	80%	0.797	S	S	*	*			trans	-155.4	171.7	146.2	-121.4	173.6	18.1	0	0	112.6
1706	S	29.2	Very low	28.7	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	80%	0.8	S	S	*	*			trans	56.5	86.2	173.8	66.6	0	0	0	0	118.3
1707	S	28.3	Very low	29	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	79%	0.787	S	S	*	*	S	Bend		-56.5	151.4	117	42.9	0	0	0	0	109.8	A1709	S1707-A1709 PolarHBondContact O-N 3.04Å
1708	H	28.2	Very low	29.2	Very low	203 Å²	203	156.3 Å²	156.3	94%	0.94	79%	0.791	S	S	*	*			trans	-59.1	139.8	174.7	-96.4	-104.6	0	0	0	110.8
1709	A	26.5	Very low	29.3	Very low	89 Å²	89	157.2 Å²	157.2	74%	0.736	79%	0.792	S	S	*	*			trans	-134.6	135.3	-171.9	0	0	0	0	0	111.5	S1707	S1707-A1709 PolarHBondContact O-N 3.04Å
1710	C	29.4	Very low	29.4	Very low	134 Å²	134	152.4 Å²	152.4	91%	0.905	79%	0.79	S	S	*	*			trans	-141.3	141	156.3	-86.9	0	0	0	0	108.4
1711	R	25.6	Very low	29.3	Very low	201 Å²	201	156.7 Å²	156.7	76%	0.758	80%	0.8	S	S	*	*			trans	-112.6	168	168.8	-69.3	-170.3	171.7	-167.6	-0.9	108.5	D1713	R1711-D1713 WeakPolarHBondContact CD-OD1 3.41Å; R1711-D1713 IonicContact CZ-OD1 2.77Å; R1711-D1713 IonicContact NE-OD1 2.88Å; R1711-D1713 IonicContact NH1-OD1 3.61Å; R1711-D1713 PolarHBondContact NH1-OD1 3.08Å; R1711-D1713 IonicContact NH1-OD2 3.71Å
1712	P	35.4	Very low	29.4	Very low	123 Å²	123	152.5 Å²	152.5	80%	0.799	80%	0.797	S	S	*	*				-107.9	147.9	66.8	-9.1	30.6	0	0	0	112.1
1713	D	28.3	Very low	29.2	Very low	98 Å²	98	146.6 Å²	146.6	52%	0.524	79%	0.789	S	S	.	*				59.2	106.1	59.5	-61.3	-41.4	0	0	0	112.1	R1711	R1711-D1713 WeakPolarHBondContact CD-OD1 3.41Å; R1711-D1713 IonicContact CZ-OD1 2.77Å; R1711-D1713 IonicContact NE-OD1 2.88Å; R1711-D1713 IonicContact NH1-OD1 3.61Å; R1711-D1713 PolarHBondContact NH1-OD1 3.08Å; R1711-D1713 IonicContact NH1-OD2 3.71Å
1714	H	32.8	Very low	29.2	Very low	179 Å²	179	146.1 Å²	146.1	83%	0.829	79%	0.787	S	S	*	*				-149.5	165.6	91.2	-111.7	-125	0	0	0	114.7
1715	H	30.8	Very low	29.1	Very low	153 Å²	153	145 Å²	145	71%	0.708	78%	0.777	S	S	*	*			trans	-16.9	145.8	171.5	-69.5	-84.8	0	0	0	119.5
1716	N	33.3	Very low	29.2	Very low	132 Å²	132	139.1 Å²	139.1	71%	0.706	76%	0.755	S	S	*	*			cis	-154.2	150.8	40.3	-124.4	-25.2	0	0	0	116.8
1717	N	33.1	Very low	28.9	Very low	122 Å²	122	144.3 Å²	144.3	65%	0.652	76%	0.758	S	S	*	*			trans	38.6	105.6	159.9	-75.7	-42.8	0	0	0	123.6
1718	R	32.5	Very low	28.7	Very low	224 Å²	224	147.9 Å²	147.9	85%	0.845	76%	0.755	S	S	*	*			trans	60.1	102.4	139.1	-53.7	-178.8	-173.9	-161.1	-1.4	118.1
1719	K	30.6	Very low	28.7	Very low	193 Å²	193	144.2 Å²	144.2	84%	0.839	75%	0.752	S	S	*	*				52.4	111.4	93.8	-77.4	-165.4	171.4	-168.1	0	113.9
1720	C	30	Very low	28.7	Very low	113 Å²	113	144.1 Å²	144.1	76%	0.764	75%	0.751	S	S	*	*			cis	76.5	99.5	37.8	-47.3	0	0	0	0	115.7
1721	E	26.4	Very low	28.6	Very low	194 Å²	194	145.4 Å²	145.4	91%	0.907	75%	0.749	S	S	*	*				48.4	137.1	128.5	-64.1	-178.9	125.8	0	0	124.6
1722	A	33.8	Very low	28.7	Very low	96 Å²	96	138.7 Å²	138.7	79%	0.793	74%	0.742	S	S	*	*			trans	-29.5	132.1	162.7	0	0	0	0	0	120.2
1723	V	23.5	Very low	28.5	Very low	132 Å²	132	141.8 Å²	141.8	80%	0.8	74%	0.743	S	S	*	*			trans	-151.4	153.4	132.7	-171	0	0	0	0	107.2
1724	S	25.7	Very low	28.4	Very low	102 Å²	102	148.3 Å²	148.3	71%	0.713	76%	0.76	S	S	*	*			trans	66.5	130.1	166.8	25.5	0	0	0	0	115.8
1725	E	25	Very low	28.2	Very low	146 Å²	146	144.5 Å²	144.5	68%	0.682	75%	0.754	S	S	*	*			cis	69.3	119.8	27.1	-152.7	173.1	-165.6	0	0	114.6	S2071	E1725-S2071 PolarHBondContact OE1-OG 2.99Å
1726	T	25.7	Very low	28.1	Very low	71 Å²	71	141.8 Å²	141.8	44%	0.436	75%	0.752	S	S	.	*			trans	44.7	109	-178.3	69.4	0	0	0	0	120.1	D2069	T1726-D2069 WeakPolarHBondContact CB-OD2 3.31Å; T1726-D2069 WeakPolarHBondContact CG2-OD1 3.3Å; T1726-D2069 WeakPolarHBondContact CG2-OD2 3.47Å; T1726-D2069 PolarHBondContact OG1-OD2 2.87Å
1727	R	23.1	Very low	27.9	Very low	217 Å²	217	143.6 Å²	143.6	82%	0.819	76%	0.756	S	S	*	*				-161.5	152.8	88.4	-102.7	173.5	-176.5	-149.1	-4.2	115.1
1728	R	24.1	Very low	27.7	Very low	184 Å²	184	143.4 Å²	143.4	69%	0.694	76%	0.764	S	S	*	*			trans	-11.8	148.4	164.5	-61.5	179.3	178.6	165.6	1.5	119.4	A1730	R1728-A1730 PolarHBondContact O-N 3.22Å
1729	S	27.1	Very low	27.6	Very low	126 Å²	126	135.9 Å²	135.9	88%	0.881	76%	0.756	S	S	*	*			trans	-34.6	124.9	150	-34.1	0	0	0	0	114.4
1730	A	26.8	Very low	27.6	Very low	86 Å²	86	133.9 Å²	133.9	71%	0.711	76%	0.755	S	S	*	*			trans	-167.8	139.1	156.6	0	0	0	0	0	106.7	R1728	R1728-A1730 PolarHBondContact O-N 3.22Å
1731	D	26.6	Very low	27.5	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	76%	0.755	S	S	*	*			cis	-156.5	168.9	-1.5	-130.9	-38.5	0	0	0	111.6
1732	G	28.1	Very low	27.7	Very low	60 Å²	60	130.6 Å²	130.6	62%	0.619	75%	0.749	S	S	*	*			trans	10.9	142.9	166.6	0	0	0	0	0	121.9
1733	K	31.3	Very low	27.5	Very low	189 Å²	189	130.3 Å²	130.3	82%	0.822	74%	0.741	S	S	*	*				-160.1	167.6	51.8	-90.3	164.4	-174.2	160.4	0	113.6
1734	R	26	Very low	27.9	Very low	234 Å²	234	127.5 Å²	127.5	88%	0.883	74%	0.739	S	S	*	*			trans	-4.5	143.2	130.6	-73.4	179	176.1	-173.7	-2.8	115.2
1735	S	29.2	Very low	28.3	Very low	99 Å²	99	129 Å²	129	69%	0.692	73%	0.734	S	S	*	*			cis	-165.9	177.4	9.5	33.3	0	0	0	0	112.5
1736	S	27.9	Very low	28.6	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	74%	0.738	S	S	*	*			trans	-22.9	162.4	160	53.4	0	0	0	0	119
1737	E	30.2	Very low	28.9	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	75%	0.75	S	S	*	*			trans	81.3	106.6	176.2	-58.9	173.4	-174.6	0	0	112.3
1738	S	27.9	Very low	29.4	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	74%	0.741	S	S	*	*			cis	66.8	124.4	27.7	102.5	0	0	0	0	113.9
1739	G	31.2	Very low	29.7	Very low	66 Å²	66	128.6 Å²	128.6	68%	0.68	74%	0.741	S	S	*	*			trans	109.7	74.5	-173	0	0	0	0	0	110.5
1740	N	29.8	Very low	29.9	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	73%	0.73	S	S	*	*				71	119.2	83	-74.7	-2.4	0	0	0	114.8
1741	S	27.2	Very low	30.2	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	73%	0.728	S	S	*	*			trans	73.1	160.1	139.7	-55.9	0	0	0	0	115.4
1742	V	32.2	Very low	30.4	Very low	128 Å²	128	130.5 Å²	130.5	78%	0.776	72%	0.717	S	S	*	*			cis	-138.2	128.3	35.5	154.2	0	0	0	0	108.3
1743	S	28.9	Very low	30.5	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	72%	0.723	S	S	*	*				57.9	138.5	82.5	151.4	0	0	0	0	113.2
1744	G	32.7	Very low	30.5	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	72%	0.724	S	S	*	*			cis	-163.6	-134	2.6	0	0	0	0	0	109.3
1745	H	34.2	Very low	30.7	Very low	132 Å²	132	130 Å²	130	61%	0.611	72%	0.72	S	S	*	*			cis	-174.7	155.6	8.2	-149.8	4.1	0	0	0	109.8
1746	R	31	Very low	30.9	Very low	199 Å²	199	132.8 Å²	132.8	75%	0.751	72%	0.722	S	S	*	*			trans	73.2	154.2	154.7	-70.4	166.5	-162.5	-162.9	3.9	117.6
1747	K	31.9	Very low	31.2	Very low	159 Å²	159	133.9 Å²	133.9	69%	0.691	72%	0.721	S	S	*	*			cis	-150.4	136.8	0.4	-127	-152.3	170.6	-157.7	0	108
1748	V	32.7	Very low	31.6	Very low	104 Å²	104	130 Å²	130	63%	0.63	71%	0.706	S	S	*	*				77.9	144.8	99.3	151.6	0	0	0	0	114.1
1749	E	31.1	Very low	31.9	Very low	148 Å²	148	130.8 Å²	130.8	69%	0.692	70%	0.696	S	S	*	*			cis	-152.7	176.5	34.4	-150.6	132.5	-117.5	0	0	115.5
1750	N	31.7	Very low	32	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	69%	0.686	S	S	*	*			trans	87.8	111.4	156	-71	-45.6	0	0	0	123.4
1751	K	32.2	Very low	32.2	Very low	152 Å²	152	129.9 Å²	129.9	66%	0.661	68%	0.68	S	S	*	*				61.2	140.4	119.2	-72	-179.1	166.7	-76.2	0	121
1752	E	30.4	Very low	32.6	Very low	138 Å²	138	131.5 Å²	131.5	65%	0.645	68%	0.68	S	S	*	*			cis	-164.9	172.2	-6.3	-141.1	144.6	-148.8	0	0	112.1
1753	T	31.9	Very low	32.5	Very low	121 Å²	121	128.7 Å²	128.7	74%	0.742	68%	0.677	S	S	*	*			trans	62.2	123.3	172.1	58	0	0	0	0	117.1
1754	E	30	Very low	32.5	Very low	179 Å²	179	133.8 Å²	133.8	84%	0.836	69%	0.688	S	S	*	*			cis	-159.7	-168.1	1.9	-148.9	145.6	-78	0	0	112.1
1755	E	30.7	Very low	32.2	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	69%	0.686	S	S	*	*			trans	-102.6	-162.6	-176.7	-57.8	-158.6	61.7	0	0	113.3
1756	H	33.9	Very low	31.7	Very low	157 Å²	157	136.7 Å²	136.7	73%	0.727	69%	0.694	S	S	*	*			cis	-170.3	173.6	34.5	-111	-60.3	0	0	0	107.9
1757	D	32.7	Very low	31.3	Very low	120 Å²	120	133.6 Å²	133.6	64%	0.642	69%	0.692	S	S	*	*			cis	-157	-132.5	-9.1	-161	69.3	0	0	0	112.1
1758	N	38.9	Very low	30.9	Very low	90 Å²	90	133.6 Å²	133.6	48%	0.481	69%	0.694	S	S	.	*			trans	-113.1	164.9	-171	-67.4	-84.3	0	0	0	113.4
1759	Q	34	Very low	30.4	Very low	133 Å²	133	132.9 Å²	132.9	62%	0.621	69%	0.694	S	S	*	*			cis	85	136.7	19.4	122.5	-177.7	-85.5	0	0	117.3	Q1644 S1645 S1646	Q1644-Q1759 CarbonylContact C-O 3.54Å; S1645-Q1759 WeakPolarHBondContact CA-O 3.42Å; S1645-Q1759 PolarHBondContact N-O 3.06Å; S1646-Q1759 WeakPolarHBondContact O-CA 3.42Å; S1646-Q1759 PolarHBondContact O-N 3.39Å
1760	C	33.9	Very low	30.1	Very low	68 Å²	68	134.7 Å²	134.7	46%	0.459	70%	0.7	S	S	.	*			cis	-159.8	-167.3	-22	-155.5	0	0	0	0	110.4
1761	N	34.5	Very low	29.7	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	70%	0.704	S	S	*	*			trans	64	168.3	168.8	-75.1	67.1	0	0	0	118.1
1762	D	34.1	Very low	29.3	Very low	144 Å²	144	135.9 Å²	135.9	77%	0.77	71%	0.713	S	S	*	*			cis	-152.7	-174.9	3.2	-150.6	-97.4	0	0	0	112.5
1763	G	30.8	Very low	29.1	Very low	69 Å²	69	132.7 Å²	132.7	71%	0.711	72%	0.718	S	S	*	*			trans	160	147.5	165.9	0	0	0	0	0	119.4
1764	K	29.1	Very low	28.9	Very low	198 Å²	198	135.4 Å²	135.4	86%	0.861	72%	0.719	S	S	*	*			trans	-121.9	141.1	-167.8	-95.4	-175	-179	171.7	0	117.1
1765	V	25.9	Very low	28.9	Very low	118 Å²	118	134.1 Å²	134.1	72%	0.715	72%	0.717	S	S	*	*			trans	79.7	124.9	130.4	170.4	0	0	0	0	123.5
1766	L	24	Very low	28.7	Very low	148 Å²	148	129.6 Å²	129.6	78%	0.775	70%	0.704	S	S	*	*			trans	63.4	124	147.8	-82.5	169.1	0	0	0	125.2
1767	L	23.1	Very low	28.6	Very low	135 Å²	135	130.2 Å²	130.2	71%	0.707	71%	0.711	S	S	*	*			trans	82.9	135.4	131.2	-143.7	78.8	0	0	0	122.3
1768	E	22.3	Very low	28.7	Very low	159 Å²	159	127.3 Å²	127.3	74%	0.743	71%	0.71	S	S	*	*			trans	73.7	134.2	149.4	-97.6	169.3	-136.5	0	0	123.6
1769	S	23.7	Very low	28.3	Very low	89 Å²	89	130.6 Å²	130.6	62%	0.622	73%	0.726	S	S	*	*			trans	68.5	115.5	138.9	-61.9	0	0	0	0	123.5
1770	F	23.2	Very low	28.4	Very low	186 Å²	186	129.9 Å²	129.9	82%	0.816	73%	0.733	S	S	*	*			trans	61.3	152.9	135.6	-77.2	-90.5	0	0	0	123
1771	E	24	Very low	28.5	Very low	160 Å²	160	131.3 Å²	131.3	75%	0.748	74%	0.743	S	S	*	*			trans	60.2	99.9	150.2	-76.2	172.9	-175.8	0	0	119.6
1772	T	23.5	Very low	28.2	Very low	139 Å²	139	129.8 Å²	129.8	85%	0.853	74%	0.743	S	S	*	*				79.1	132.7	88.9	56.6	0	0	0	0	116.9
1773	G	27	Very low	28.2	Very low	72 Å²	72	129.5 Å²	129.5	74%	0.742	74%	0.741	S	S	*	*			trans	105.1	105	-176.9	0	0	0	0	0	110.6
1774	K	27.1	Very low	28.1	Very low	178 Å²	178	130.8 Å²	130.8	77%	0.774	74%	0.735	S	S	*	*			cis	76.8	133.4	25.2	-140	-178.8	-169.7	-177.1	0	113.4
1775	L	29.4	Very low	28.3	Very low	152 Å²	152	125.9 Å²	125.9	80%	0.796	73%	0.726	S	S	*	*			trans	83.9	144.5	-174.6	-54.8	174.6	0	0	0	115.7
1776	S	26.8	Very low	28.3	Very low	77 Å²	77	121.5 Å²	121.5	54%	0.538	70%	0.704	S	S	.	*			cis	-177.3	170.9	-27.9	49.6	0	0	0	0	110.3
1777	I	32.6	Very low	28.6	Very low	170 Å²	170	118.9 Å²	118.9	87%	0.872	70%	0.698	S	S	*	*			trans	79.3	128.9	166.6	-51.3	153.2	0	0	0	114.4
1778	G	34.6	Very low	28.8	Very low	59 Å²	59	115.1 Å²	115.1	61%	0.608	69%	0.692	S	S	*	*			cis	174.8	157	-11.3	0	0	0	0	0	115.2
1779	I	29.9	Very low	29.5	Very low	160 Å²	160	112.3 Å²	112.3	82%	0.821	69%	0.688	S	S	*	*			trans	49.9	115.3	139.7	-55.2	174.7	0	0	0	116.2
1780	P	37.1	Very low	29.6	Very low	118 Å²	118	117.8 Å²	117.8	77%	0.766	70%	0.695	S	S	*	*	S	Bend		-99.4	152.4	55.1	-15.8	33.4	0	0	0	117.6
1781	S	36.6	Very low	29.6	Very low	97 Å²	97	119.5 Å²	119.5	68%	0.678	70%	0.696	S	S	*	*			trans	40.1	112.8	140.1	-47	0	0	0	0	118.4
1782	S	26.6	Very low	29.6	Very low	98 Å²	98	115.8 Å²	115.8	69%	0.685	70%	0.7	S	S	*	*			cis	53.9	131.3	49	99.8	0	0	0	0	112.6
1783	N	35.3	Very low	29.7	Very low	137 Å²	137	113.2 Å²	113.2	73%	0.733	70%	0.702	S	S	*	*			cis	-121.4	148.8	9.2	-81.3	-42.1	0	0	0	109.7
1784	V	29.2	Very low	29.7	Very low	96 Å²	96	112.5 Å²	112.5	58%	0.582	69%	0.694	S	S	*	*				58.3	122.7	62.3	-178	0	0	0	0	109.8
1785	S	31.8	Very low	29.6	Very low	95 Å²	95	113.1 Å²	113.1	66%	0.664	70%	0.7	S	S	*	*			cis	-146.8	169.8	15.2	38.1	0	0	0	0	109.7
1786	G	26.5	Very low	29.5	Very low	26 Å²	26	110.4 Å²	110.4	27%	0.268	70%	0.699	S	S	.	*			cis	116.1	124.8	9.3	0	0	0	0	0	110.1	P1999	G1786-P1999 VanDerWaalsContact CA-CG 3.44Å; G1786-P1999 VanDerWaalsContact N-CB 3.29Å
1787	S	31	Very low	29.6	Very low	93 Å²	93	111.7 Å²	111.7	65%	0.65	71%	0.708	S	S	*	*			trans	65.3	152.8	-159.4	80.2	0	0	0	0	112.8	N1997	S1787-N1997 PolarHBondContact O-ND2 3.1Å; S1787-N1997 PolarHBondContact O-OD1 2.69Å
1788	G	26.9	Very low	29.3	Very low	56 Å²	56	108.6 Å²	108.6	58%	0.577	70%	0.701	S	S	*	*			cis	76.9	-178.6	13.8	0	0	0	0	0	112.3
1789	P	36.8	Very low	29	Very low	101 Å²	101	108 Å²	108	66%	0.656	70%	0.696	S	S	*	*			cis	-121.9	-154.4	-33.7	23.4	-0.2	0	0	0	108.7
1790	R	24.9	Very low	28.7	Very low	203 Å²	203	107 Å²	107	77%	0.766	68%	0.682	S	S	*	*			trans	79.1	138	156.4	-56.5	168.5	174.1	-139.1	-5.7	118.5
1791	R	23.9	Very low	28.3	Very low	223 Å²	223	108 Å²	108	84%	0.842	68%	0.677	S	S	*	*			trans	40.2	117.3	134.7	-55.9	172.2	-179.7	-159.6	-2.2	116.4
1792	G	24.1	Very low	27.9	Very low	81 Å²	81	104.4 Å²	104.4	84%	0.835	65%	0.652	S	S	*	*			cis	123.4	153.8	26.3	0	0	0	0	0	109.7
1793	G	26.2	Very low	28.1	Very low	86 Å²	86	102.4 Å²	102.4	89%	0.887	63%	0.633	S	S	*	*			trans	98.8	115.3	-170.5	0	0	0	0	0	111.5
1794	G	25.4	Very low	27.8	Very low	56 Å²	56	99.1 Å²	99.1	58%	0.577	62%	0.617	S	S	*	*			cis	171.3	173.3	-6.1	0	0	0	0	0	112.3
1795	H	26.4	Very low	27.7	Very low	192 Å²	192	103.1 Å²	103.1	89%	0.889	62%	0.622	S	S	*	*			trans	64.3	119.2	174.7	-44.4	-81.6	0	0	0	113
1796	A	26.4	Very low	27.3	Very low	94 Å²	94	102.8 Å²	102.8	78%	0.777	61%	0.613	S	S	*	*			cis	133.5	149.7	42.8	0	0	0	0	0	104.1
1797	S	29.2	Very low	27.3	Very low	105 Å²	105	106 Å²	106	73%	0.734	63%	0.631	S	S	*	*			cis	-153.1	165	-0.3	45.2	0	0	0	0	110.3
1798	S	26.7	Very low	26.9	Very low	104 Å²	104	110.5 Å²	110.5	73%	0.727	64%	0.642	S	S	*	*			trans	-69.5	141.7	175	54.2	0	0	0	0	114.1
1799	G	28.5	Very low	27	Very low	48 Å²	48	112.7 Å²	112.7	50%	0.495	66%	0.655	S	S	.	*				79.6	110.5	109	0	0	0	0	0	121	A335	A335-G1799 VanDerWaalsContact CB-C 3.47Å
1800	Y	24.1	Very low	26.4	Very low	137 Å²	137	112.7 Å²	112.7	54%	0.537	66%	0.657	S	S	.	*				-59.7	176	119.9	-98.3	-114.8	0	0	0	109	D333 A335	D333-Y1800 HydrophobicContact CB-CE2 3.58Å; A335-Y1800 HydrophobicContact CB-CD2 4.22Å
1801	E	27.8	Very low	27.1	Very low	140 Å²	140	107.8 Å²	107.8	65%	0.654	65%	0.654	S	S	*	*			cis	-159.4	-159.6	33.5	-152.5	-124.1	-156.3	0	0	114.1
1802	S	28.2	Very low	27.5	Very low	21 Å²	21	101.6 Å²	101.6	15%	0.147	63%	0.634	C	S	.	*			trans	178	133.7	-153.1	-69.5	0	0	0	0	113.8	K791 S792 D793	K791-S1802 WeakPolarHBondContact O-CB 3.39Å; S792-S1802 VanDerWaalsContact CA-CB 3.47Å; S792-S1802 WeakPolarHBondContact CA-OG 3.37Å; D793-S1802 PolarHBondContact N-OG 3.49Å
1803	I	30.6	Very low	28.1	Very low	56 Å²	56	101.4 Å²	101.4	29%	0.287	63%	0.625	S	S	.	*			cis	-161.1	166.6	14.3	-158.1	-165.5	0	0	0	111.4	P790 K791 S792 D793	P790-I1803 VanDerWaalsContact C-CG2 3.46Å; P790-I1803 HydrophobicContact CB-CG2 4.48Å; K791-I1803 VanDerWaalsContact CA-CG2 3.42Å; K791-I1803 HydrophobicContact CG-CG2 4.48Å; S792-I1803 VanDerWaalsContact C-CG1 3.46Å; S792-I1803 VanDerWaalsContact O-CD1 3.3Å; S792-I1803 WeakPolarHBondContact O-CD1 3.44Å; D793-I1803 HydrophobicContact CB-CB 4.25Å; D793-I1803 HydrophobicContact CB-CG1 3.68Å; D793-I1803 WeakPolarHBondContact OD2-CA 3.39Å; D793-I1803 VanDerWaalsContact OD2-CG1 3.28Å; D793-I1803 WeakPolarHBondContact OD2-CG1 3.3Å
1804	V	29.4	Very low	28.4	Very low	68 Å²	68	101.9 Å²	101.9	41%	0.412	61%	0.607	S	S	.	*			trans	4.4	125.9	141.7	169.7	0	0	0	0	117.1	D793 D1806	D793-V1804 WeakPolarHBondContact OD2-CG2 3.2Å; D793-V1804 PolarHBondContact OD2-N 3.14Å; V1804-D1806 WeakPolarHBondContact CG1-OD1 3.44Å
1805	R	26.9	Very low	28.9	Very low	181 Å²	181	103 Å²	103	68%	0.683	61%	0.606	S	S	*	*				-147	126.2	117	-110.6	162.2	-177.8	157	1.4	112.9
1806	D	24.4	Very low	29.3	Very low	88 Å²	88	99.9 Å²	99.9	47%	0.471	60%	0.6	S	S	.	*				24.1	122.3	120.3	-61.9	33.8	0	0	0	115	N770 V1804	N770-D1806 PolarHBondContact ND2-OD2 3.47Å; V1804-D1806 WeakPolarHBondContact CG1-OD1 3.44Å
1807	S	25.2	Very low	29.7	Very low	93 Å²	93	101 Å²	101	65%	0.65	60%	0.603	S	S	*	*			cis	-160.5	178	11.9	-57.5	0	0	0	0	112.5
1808	E	22.8	Very low	29.8	Very low	188 Å²	188	99.1 Å²	99.1	88%	0.879	60%	0.6	S	S	*	*			trans	0.6	113	146.3	-59.1	170.5	156.6	0	0	115.8
1809	A	28.7	Very low	30.2	Very low	102 Å²	102	99.9 Å²	99.9	84%	0.843	61%	0.605	S	S	*	*				87.5	123.3	60.4	0	0	0	0	0	115.2
1810	S	25	Very low	30.4	Very low	100 Å²	100	102.7 Å²	102.7	70%	0.699	62%	0.617	S	S	*	*			trans	-161.1	136.7	148.1	-173.4	0	0	0	0	110.4
1811	S	40.1	Very low	30.7	Very low	101 Å²	101	101 Å²	101	71%	0.706	63%	0.631	S	S	*	*			trans	-75.6	177.2	164.7	51.5	0	0	0	0	111.7
1812	H	31.2	Very low	30.8	Very low	92 Å²	92	98.5 Å²	98.5	43%	0.426	64%	0.644	S	S	.	*			trans	-162.3	169.1	130.9	-113	-72.6	0	0	0	114.3	T2145 N2146	H1812-T2145 WeakPolarHBondContact NE2-CA 3.37Å; H1812-T2145 VanDerWaalsContact NE2-CB 3.26Å; H1812-T2145 WeakPolarHBondContact NE2-CB 3.47Å; H1812-N2146 HydrophobicContact CB-CB 4.22Å; H1812-N2146 PolarHBondContact CD2-N 3.29Å; H1812-N2146 PolarHBondContact CE1-N 2.9Å; H1812-N2146 PolarHBondContact CE1-O 3.23Å; H1812-N2146 PolarHBondContact ND1-O 2.8Å; H1812-N2146 PolarHBondContact NE2-N 3Å
1813	A	37.5	Very low	30.8	Very low	77 Å²	77	101.4 Å²	101.4	64%	0.636	68%	0.677	S	S	*	*			trans	-148.9	-180	-177	0	0	0	0	0	109.6
1814	D	32.9	Very low	30.6	Very low	97 Å²	97	107.6 Å²	107.6	52%	0.519	71%	0.709	S	S	.	*			trans	-163.7	-179.6	146	-150.3	27.6	0	0	0	106.6	T2147	D1814-T2147 HydrophobicContact CB-CG2 4.4Å
1815	S	34.8	Very low	30.5	Very low	80 Å²	80	107.3 Å²	107.3	56%	0.559	72%	0.72	S	S	*	*			cis	-155.9	-165.8	3.8	-153.9	0	0	0	0	106.7
1816	T	35.4	Very low	30.5	Very low	125 Å²	125	105.5 Å²	105.5	77%	0.767	73%	0.728	S	S	*	*			cis	-153.7	166	9.3	26.8	0	0	0	0	106.9
1817	S	34.8	Very low	30.7	Very low	118 Å²	118	107.1 Å²	107.1	83%	0.825	74%	0.741	S	S	*	*			cis	-161.2	-44.1	-19.9	53.2	0	0	0	0	112.2
1818	G	32	Very low	30.8	Very low	65 Å²	65	108.6 Å²	108.6	67%	0.67	75%	0.746	S	S	*	*			trans	163.2	-164.6	177.2	0	0	0	0	0	117.7
1819	S	34.2	Very low	31.1	Very low	121 Å²	121	103.8 Å²	103.8	85%	0.846	74%	0.738	S	S	*	*			cis	-164.3	166.8	3.4	-145	0	0	0	0	116
1820	S	32.7	Very low	31.1	Very low	107 Å²	107	105.3 Å²	105.3	75%	0.748	73%	0.732	S	S	*	*			trans	73.8	92.4	151.4	-166.2	0	0	0	0	123.3
1821	A	30.9	Very low	31.3	Very low	100 Å²	100	104.8 Å²	104.8	83%	0.826	73%	0.725	S	S	*	*				39.6	120	125.5	0	0	0	0	0	124.2
1822	G	28.7	Very low	31	Very low	89 Å²	89	108 Å²	108	92%	0.918	73%	0.726	S	S	*	*				103.8	111.7	120.5	0	0	0	0	0	120.4
1823	G	29.5	Very low	31.2	Very low	82 Å²	82	111.6 Å²	111.6	85%	0.845	74%	0.74	S	S	*	*			trans	163.4	144.4	165.4	0	0	0	0	0	116.7
1824	I	26.2	Very low	30.9	Very low	186 Å²	186	115 Å²	115	95%	0.954	75%	0.748	S	S	*	*			trans	-81.2	151	-173	-64.8	158.5	0	0	0	113.3
1825	G	26.7	Very low	30.9	Very low	62 Å²	62	119 Å²	119	64%	0.639	76%	0.761	S	S	*	*			trans	108.8	119.7	170.4	0	0	0	0	0	112.6
1826	V	27.4	Very low	30.7	Very low	143 Å²	143	119.7 Å²	119.7	87%	0.867	76%	0.762	S	S	*	*			cis	73.4	136.9	42.8	-166.3	0	0	0	0	112.9
1827	V	27.4	Very low	30.4	Very low	122 Å²	122	120.8 Å²	120.8	74%	0.739	76%	0.761	S	S	*	*			trans	74.6	76	-176.2	-166.5	0	0	0	0	113.4
1828	T	27.2	Very low	30.5	Very low	123 Å²	123	119.8 Å²	119.8	76%	0.755	75%	0.752	S	S	*	*				75.9	136.9	83.7	61.7	0	0	0	0	116.6
1829	A	29.7	Very low	30.2	Very low	87 Å²	87	123.6 Å²	123.6	72%	0.719	75%	0.752	S	S	*	*			trans	75.1	152.7	153.9	0	0	0	0	0	116.6
1830	D	28	Very low	30	Very low	134 Å²	134	125.5 Å²	125.5	72%	0.717	75%	0.745	S	S	*	*			cis	-157.6	155.9	5.7	-145	13.8	0	0	0	115.2
1831	V	31	Very low	29.9	Very low	89 Å²	89	127.6 Å²	127.6	54%	0.539	74%	0.743	S	S	.	*			trans	47.6	113.1	131.2	144	0	0	0	0	118.4
1832	K	33.4	Very low	29.5	Very low	169 Å²	169	128.3 Å²	128.3	74%	0.735	74%	0.741	S	S	*	*				-169.9	160.9	60.2	-94	134.1	-177.4	136.1	0	108.8
1833	K	34.4	Very low	29.5	Very low	167 Å²	167	129.6 Å²	129.6	73%	0.726	73%	0.731	S	S	*	*			cis	-156.8	131.6	8.2	-132.2	157.5	-176.6	-175.1	0	110.7
1834	N	30.9	Very low	29.4	Very low	150 Å²	150	131.3 Å²	131.3	80%	0.802	73%	0.725	S	S	*	*			trans	42.5	140.5	135.3	-49	11.7	0	0	0	119.4
1835	K	33.1	Very low	29.6	Very low	181 Å²	181	129.8 Å²	129.8	79%	0.787	71%	0.714	S	S	*	*			cis	-168.7	151.1	31.5	178	-165.1	168.4	-72.2	0	106.6
1836	T	31.7	Very low	29.6	Very low	93 Å²	93	133.2 Å²	133.2	57%	0.571	71%	0.714	S	S	*	*			cis	-146.6	162.2	6.6	4.3	0	0	0	0	107.2
1837	I	28.2	Very low	29.6	Very low	148 Å²	148	134.2 Å²	134.2	76%	0.759	70%	0.703	S	S	*	*			cis	78.9	125.1	15.7	-67.3	171	0	0	0	115.2
1838	P	37.2	Very low	29.9	Very low	98 Å²	98	133.8 Å²	133.8	64%	0.636	70%	0.704	S	S	*	*			cis	-147.9	179.7	-20.9	43.6	-24.4	0	0	0	116.8
1839	Q	25.5	Very low	29.9	Very low	144 Å²	144	135.2 Å²	135.2	67%	0.673	70%	0.702	S	S	*	*			trans	50.7	151.2	133.5	-78.7	178.2	8.1	0	0	125.2
1840	K	29.8	Very low	29.8	Very low	161 Å²	161	138.1 Å²	138.1	70%	0.7	70%	0.7	S	S	*	*			trans	75.2	155.2	146.1	-75.2	158	177	157.5	0	117.6
1841	H	30.2	Very low	30	Very low	152 Å²	152	137.3 Å²	137.3	70%	0.704	70%	0.704	S	S	*	*			cis	-139.7	150.4	-1.1	-131.2	-70.3	0	0	0	110.9
1842	C	23.1	Very low	29.9	Very low	115 Å²	115	139.3 Å²	139.3	78%	0.777	71%	0.707	S	S	*	*			trans	-88.5	139	155.1	-71.3	0	0	0	0	109.4
1843	T	29.5	Very low	29.8	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	71%	0.71	S	S	*	*			trans	160.2	112.8	156.5	29.6	0	0	0	0	106.3
1844	T	27.8	Very low	29.7	Very low	118 Å²	118	139.1 Å²	139.1	72%	0.724	71%	0.705	S	S	*	*				84.4	143.4	55	62.3	0	0	0	0	115
1845	Q	30.5	Very low	29.7	Very low	155 Å²	155	138 Å²	138	72%	0.724	70%	0.699	S	S	*	*			trans	80.7	150.2	163.4	-60.5	-160.3	-80.9	0	0	119.5
1846	E	25.6	Very low	29.6	Very low	134 Å²	134	137.4 Å²	137.4	63%	0.626	70%	0.699	S	S	*	*			cis	176.8	179.1	-36.8	-110.6	170.5	178.4	0	0	109.7
1847	Y	27.1	Very low	29.6	Very low	163 Å²	163	138.5 Å²	138.5	64%	0.639	71%	0.706	S	S	*	*			trans	66.4	144.6	169	-61.4	-80.1	0	0	0	117.3	E1849	Y1847-E1849 HydrophobicContact CD1-CG 3.96Å; Y1847-E1849 HydrophobicContact CE1-CG 4.33Å
1848	C	33.2	Very low	29.7	Very low	114 Å²	114	138.2 Å²	138.2	77%	0.77	71%	0.706	S	S	*	*			cis	-116	159.9	10.6	-63.3	0	0	0	0	111.2
1849	E	28.7	Very low	29.4	Very low	153 Å²	153	139.4 Å²	139.4	72%	0.715	71%	0.711	S	S	*	*			cis	66.9	152.3	40.2	-68	-161	144.2	0	0	115.9	Y1847	Y1847-E1849 HydrophobicContact CD1-CG 3.96Å; Y1847-E1849 HydrophobicContact CE1-CG 4.33Å
1850	H	27.6	Very low	29.6	Very low	147 Å²	147	137.2 Å²	137.2	68%	0.681	71%	0.712	S	S	*	*			cis	-173.4	142.4	-33.7	-176.7	91.3	0	0	0	107.4
1851	C	31.1	Very low	29.6	Very low	117 Å²	117	136.2 Å²	136.2	79%	0.791	71%	0.713	S	S	*	*			trans	163.2	154	154.6	-93.1	0	0	0	0	112.9
1852	H	30.4	Very low	29.6	Very low	131 Å²	131	135.3 Å²	135.3	61%	0.606	71%	0.714	S	S	*	*			cis	-172.8	165.3	-28.4	-156.6	42.8	0	0	0	111.7
1853	R	30.5	Very low	29.9	Very low	209 Å²	209	137.2 Å²	137.2	79%	0.789	71%	0.711	S	S	*	*			trans	83.5	140.7	159.4	-62.2	-165.7	-179.4	169.6	5.1	120.5
1854	I	31.3	Very low	29.9	Very low	124 Å²	124	141.7 Å²	141.7	64%	0.636	72%	0.715	S	S	*	*			cis	-167.4	167.7	-20.3	-128.1	169.8	0	0	0	111.8
1855	N	31.1	Very low	29.9	Very low	126 Å²	126	141.6 Å²	141.6	67%	0.674	71%	0.709	S	S	*	*			trans	70.7	144.8	169.9	-72.1	-16.1	0	0	0	118.8
1856	Q	32.6	Very low	29.7	Very low	168 Å²	168	142.6 Å²	142.6	79%	0.785	71%	0.711	S	S	*	*			cis	-154.5	-175.3	-13.4	-122.7	167.4	41.1	0	0	111.6
1857	T	31.1	Very low	29.6	Very low	117 Å²	117	144.6 Å²	144.6	72%	0.718	72%	0.721	S	S	*	*			trans	-107.5	164.4	-156.4	52.9	0	0	0	0	117.3
1858	N	30.4	Very low	30.3	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	72%	0.72	S	S	*	*				171.1	135.7	118.3	-82.6	-9.6	0	0	0	116.3
1859	V	30.8	Very low	29.9	Very low	123 Å²	123	144.7 Å²	144.7	75%	0.745	72%	0.724	S	S	*	*			trans	50.2	122	141.5	-175.5	0	0	0	0	119.6
1860	S	29.8	Very low	29.8	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	73%	0.725	S	S	*	*			cis	93.7	142.7	32	-61	0	0	0	0	115.2
1861	L	29.7	Very low	29.6	Very low	140 Å²	140	143.7 Å²	143.7	73%	0.733	73%	0.731	S	S	*	*			cis	-167.9	167.1	-7.1	-105.6	170.4	0	0	0	111
1862	D	29.6	Very low	29.6	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	74%	0.737	S	S	*	*			trans	65.2	158.2	144.5	-72	-7.9	0	0	0	124.3
1863	E	29.4	Very low	29.4	Very low	154 Å²	154	145.1 Å²	145.1	72%	0.72	74%	0.735	S	S	*	*			cis	-149.4	-131.6	-24.9	-144.5	-155.8	166.9	0	0	114.8
1864	R	28.9	Very low	29.1	Very low	209 Å²	209	140.7 Å²	140.7	79%	0.789	73%	0.731	S	S	*	*			trans	-150.4	172.3	-153.4	-165.1	-165.7	-56.5	-157.4	2.7	113.7
1865	I	29.3	Very low	28.9	Very low	116 Å²	116	141 Å²	141	60%	0.595	73%	0.734	S	S	*	*			trans	131.2	113.3	142	-70.5	168.2	0	0	0	121.1
1866	K	26.3	Very low	28.7	Very low	176 Å²	176	138.1 Å²	138.1	77%	0.765	72%	0.721	S	S	*	*			trans	54.9	123.9	138.2	-58.3	172.6	-156.5	163.9	0	126.8
1867	E	23.6	Very low	28.5	Very low	177 Å²	177	135.5 Å²	135.5	83%	0.827	71%	0.713	S	S	*	*				20.3	164.9	109.3	-79.3	-162.5	118.9	0	0	123.7
1868	P	42	Very low	28.4	Very low	97 Å²	97	133.5 Å²	133.5	63%	0.63	70%	0.703	S	S	*	*			cis	-148.8	-177.2	-29.7	41.6	-22.2	0	0	0	117.7
1869	Q	23.6	Very low	28.1	Very low	182 Å²	182	132.1 Å²	132.1	85%	0.85	70%	0.703	S	S	*	*			trans	91.1	155.4	152.9	-69.7	-160.1	35.1	0	0	124.8
1870	V	26.5	Very low	27.8	Very low	121 Å²	121	131.8 Å²	131.8	73%	0.733	71%	0.705	S	S	*	*			trans	90.5	90.8	161.3	-160.8	0	0	0	0	121.6
1871	I	24.5	Very low	27.6	Very low	158 Å²	158	136.4 Å²	136.4	81%	0.81	71%	0.713	S	S	*	*			trans	31	110.4	133.6	-46.2	172.1	0	0	0	120
1872	Q	31.2	Very low	27.3	Very low	197 Å²	197	138.3 Å²	138.3	92%	0.921	72%	0.718	S	S	*	*				-157.9	173.5	126.4	-113.1	-179.2	25.4	0	0	111
1873	S	24.7	Very low	26.9	Very low	80 Å²	80	139.8 Å²	139.8	56%	0.559	72%	0.721	S	S	*	*			trans	-149	136.8	-172.4	60.8	0	0	0	0	112.8
1874	V	24.9	Very low	26.6	Very low	116 Å²	116	139.2 Å²	139.2	70%	0.703	72%	0.718	S	S	*	*			trans	167.8	145.3	144.3	146.5	0	0	0	0	110.2
1875	N	27.6	Very low	26.4	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	71%	0.714	S	S	*	*			trans	64.1	126	173.4	-67.3	-6.2	0	0	0	116.7
1876	T	25.6	Very low	26.3	Very low	67 Å²	67	138.6 Å²	138.6	41%	0.411	72%	0.723	S	S	.	*			cis	96.7	130.2	33.8	65.7	0	0	0	0	114.9	H748	H748-T1876 WeakPolarHBondContact O-CA 3.46Å
1877	N	29.9	Very low	26.3	Very low	113 Å²	113	137.4 Å²	137.4	60%	0.604	72%	0.72	S	S	*	*			trans	99.4	146.9	173.5	-59.8	-13.1	0	0	0	115.6	P747	P747-N1877 WeakPolarHBondContact O-CA 3.28Å; P747-N1877 PolarHBondContact O-N 3.31Å
1878	S	27.5	Very low	26.4	Very low	74 Å²	74	136.7 Å²	136.7	52%	0.517	72%	0.716	S	S	.	*			cis	-167.3	131.1	-28	50.8	0	0	0	0	114.2	S746 P747	S746-S1878 WeakPolarHBondContact O-CB 3.25Å; P747-S1878 WeakPolarHBondContact O-CA 3.2Å
1879	C	24.5	Very low	25.9	Very low	112 Å²	112	136.5 Å²	136.5	76%	0.757	72%	0.716	S	S	*	*			trans	67.1	169.5	156.9	-139	0	0	0	0	118.7
1880	C	24.4	Very low	26	Very low	117 Å²	117	132.7 Å²	132.7	79%	0.791	71%	0.709	S	S	*	*			trans	-122.8	151.3	-164.3	-48.7	0	0	0	0	112.9
1881	K	26.4	Very low	26.2	Very low	195 Å²	195	133.6 Å²	133.6	85%	0.848	71%	0.708	S	S	*	*			trans	-135.9	137.3	141.9	-67.8	-170.7	177.1	-175.7	0	106.2
1882	E	23.3	Very low	26.4	Very low	180 Å²	180	134.1 Å²	134.1	84%	0.841	71%	0.707	S	S	*	*				67.8	86.1	55.5	-73.3	-179.5	174	0	0	113.6
1883	E	21.7	Very low	26.2	Very low	165 Å²	165	129.1 Å²	129.1	77%	0.771	69%	0.694	S	S	*	*				73.5	149.9	123.2	-99.1	-172.7	-159.5	0	0	124.1
1884	Q	23.2	Very low	26.5	Very low	142 Å²	142	130.7 Å²	130.7	66%	0.664	70%	0.696	S	S	*	*			trans	74.8	113	154.7	-71.1	171.3	30.9	0	0	120.9
1885	D	23.4	Very low	26.7	Very low	132 Å²	132	129 Å²	129	71%	0.706	69%	0.689	S	S	*	*				63.6	123	126.5	-52.1	-11.2	0	0	0	121.1
1886	K	27.4	Very low	26.6	Very low	180 Å²	180	128.5 Å²	128.5	78%	0.783	68%	0.679	S	S	*	*				-172.9	142.3	97	-100.8	158.9	-172.7	170.3	0	114.9
1887	H	27.4	Very low	26.7	Very low	151 Å²	151	129.9 Å²	129.9	70%	0.699	68%	0.679	S	S	*	*			trans	53.3	123.4	159.5	-66.1	-71.6	0	0	0	118.7
1888	E	23.9	Very low	26.7	Very low	161 Å²	161	128 Å²	128	75%	0.752	67%	0.668	S	S	*	*				74.9	155.4	71.2	-100.2	-166.1	119.7	0	0	115
1889	P	32	Very low	26.9	Very low	94 Å²	94	130.8 Å²	130.8	61%	0.61	67%	0.673	S	S	*	*			cis	-131.9	175.5	-7.9	39.9	-24.7	0	0	0	116
1890	S	27	Very low	26.9	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	68%	0.676	S	S	*	*			trans	95.2	149.7	136.4	80.6	0	0	0	0	121
1891	I	29.3	Very low	27.1	Very low	140 Å²	140	135.3 Å²	135.3	72%	0.718	67%	0.668	S	S	*	*			cis	-159.7	144.3	-25.8	-110.1	159.7	0	0	0	108.5
1892	Q	28	Very low	27.2	Very low	168 Å²	168	133 Å²	133	79%	0.785	66%	0.664	S	S	*	*			trans	23.2	144.4	154.5	-56.5	164.1	-5	0	0	122.5
1893	S	27.5	Very low	27.5	Very low	93 Å²	93	132.8 Å²	132.8	65%	0.65	66%	0.663	S	S	*	*			cis	105.8	143.7	12.3	81.8	0	0	0	0	118.9
1894	N	30.7	Very low	27.9	Very low	113 Å²	113	130.9 Å²	130.9	60%	0.604	66%	0.663	S	S	*	*			trans	89.8	162.7	178.6	-49.6	-74.9	0	0	0	117.1	Y1896	N1894-Y1896 HydrophobicContact CB-CE1 4.31Å
1895	S	29.2	Very low	28.1	Very low	80 Å²	80	128.8 Å²	128.8	56%	0.559	66%	0.659	S	S	*	*			cis	-141.2	-176	3.7	-155.7	0	0	0	0	114.7	S65	S65-S1895 PolarHBondContact O-OG 3.23Å; S65-S1895 VanDerWaalsContact O-OG 3.11Å
1896	Y	26.3	Very low	28.2	Very low	119 Å²	119	126.9 Å²	126.9	47%	0.467	65%	0.646	S	S	.	*			trans	-149.3	-154.3	-151.4	-44.4	98.3	0	0	0	115.9	T67 N1894	T67-Y1896 WeakPolarHBondContact OG1-CE2 3.43Å; N1894-Y1896 HydrophobicContact CB-CE1 4.31Å
1897	K	28.5	Very low	28.2	Very low	97 Å²	97	125.1 Å²	125.1	42%	0.422	64%	0.635	S	S	.	*			cis	-168	142	13.8	-168.6	-156.6	168.2	57.8	0	114.5	V66 T67	V66-K1897 HydrophobicContact CG1-CD 4.44Å; V66-K1897 VanDerWaalsContact O-CD 3.24Å; V66-K1897 WeakPolarHBondContact O-CD 3.47Å; V66-K1897 WeakPolarHBondContact O-CE 3.41Å; V66-K1897 WeakPolarHBondContact O-CG 3.48Å; V66-K1897 PolarHBondContact O-NZ 2.79Å; T67-K1897 PolarHBondContact O-NZ 2.98Å
1898	I	29.4	Very low	28	Very low	74 Å²	74	121.5 Å²	121.5	38%	0.379	62%	0.62	S	S	.	*			trans	56	132.2	149.3	-75.6	-171.9	0	0	0	126.1	Q68	Q68-I1898 HydrophobicContact CG-CD1 4Å; Q68-I1898 HydrophobicContact CG-CG1 3.67Å
1899	Q	30.5	Very low	28.1	Very low	131 Å²	131	118.8 Å²	118.8	61%	0.612	61%	0.607	S	S	*	*			trans	14.9	158.1	146.7	-50.8	169	-106.4	0	0	125.1
1900	Y	25.5	Very low	27.7	Very low	209 Å²	209	119.4 Å²	119.4	82%	0.82	61%	0.614	S	S	*	*				-151.1	-171.5	114.5	-125.1	-93.4	0	0	0	113.4
1901	N	29.3	Very low	27.7	Very low	116 Å²	116	119.5 Å²	119.5	62%	0.62	61%	0.614	S	S	*	*			trans	-77	-174.7	-164.2	-66.6	-17.6	0	0	0	115.4
1902	L	27.1	Very low	27.5	Very low	146 Å²	146	120.5 Å²	120.5	76%	0.764	61%	0.613	S	S	*	*			cis	-166.3	166.4	30.9	-165.7	73.2	0	0	0	114.1
1903	Q	30.6	Very low	27.4	Very low	175 Å²	175	119.5 Å²	119.5	82%	0.818	61%	0.612	S	S	*	*			trans	110.4	133.5	139.3	-140.9	163.3	7.1	0	0	121.1
1904	T	29	Very low	27.2	Very low	126 Å²	126	120.7 Å²	120.7	77%	0.773	61%	0.611	S	S	*	*			trans	-82.2	165.2	180	6.6	0	0	0	0	112.1
1905	V	27.2	Very low	26.9	Very low	97 Å²	97	120 Å²	120	59%	0.588	62%	0.615	S	S	*	*			cis	-163.4	174.1	3.1	62.9	0	0	0	0	110.6
1906	Q	26.8	Very low	26.7	Very low	93 Å²	93	122.5 Å²	122.5	44%	0.435	62%	0.622	S	S	.	*			trans	81.2	176.3	157	-70.3	-174.1	153.7	0	0	119.2	E2017 N2018	Q1906-E2017 VanDerWaalsContact CB-OE2 3.3Å; Q1906-E2017 WeakPolarHBondContact CB-OE2 3.24Å; Q1906-E2017 PolarHBondContact NE2-OE2 3.44Å; Q1906-N2018 HydrophobicContact CB-CB 3.75Å; Q1906-N2018 WeakPolarHBondContact CB-ND2 3.45Å; Q1906-N2018 VanDerWaalsContact CD-CB 3.41Å; Q1906-N2018 HydrophobicContact CG-CB 3.85Å
1907	R	27	Very low	26.8	Very low	142 Å²	142	123.3 Å²	123.3	54%	0.536	64%	0.639	S	S	.	*				-169.6	-160.3	-66.5	-110.2	-174.3	-93.3	114.5	-2.8	110.8	N2018 S2019	R1907-N2018 VanDerWaalsContact C-CG 3.45Å; R1907-N2018 WeakPolarHBondContact CA-OD1 3.37Å; R1907-N2018 HydrophobicContact CB-CB 3.76Å; R1907-N2018 VanDerWaalsContact CB-O 3.28Å; R1907-N2018 WeakPolarHBondContact CB-O 3.41Å; R1907-N2018 VanDerWaalsContact CB-OD1 3.27Å; R1907-N2018 WeakPolarHBondContact CB-OD1 3.1Å; R1907-N2018 WeakPolarHBondContact CD-O 3.31Å; R1907-N2018 PolarHBondContact N-ND2 2.98Å; R1907-N2018 PolarHBondContact NH1-O 2.99Å; R1907-N2018 PolarHBondContact O-OD1 2.93Å; R1907-S2019 PolarHBondContact NH1-OG 3.07Å
1908	L	24.1	Very low	26.6	Very low	75 Å²	75	123.4 Å²	123.4	39%	0.393	64%	0.644	S	S	.	*			trans	53.2	113.7	173.9	-71.5	177.5	0	0	0	121.7	N2018	L1908-N2018 WeakPolarHBondContact CA-OD1 2.96Å; L1908-N2018 WeakPolarHBondContact CB-OD1 3.3Å; L1908-N2018 WeakPolarHBondContact CD1-OD1 3.27Å; L1908-N2018 HydrophobicContact CG-CB 4.43Å; L1908-N2018 WeakPolarHBondContact CG-OD1 3.44Å; L1908-N2018 PolarHBondContact N-OD1 3.42Å
1909	H	25.8	Very low	26.6	Very low	104 Å²	104	126.1 Å²	126.1	48%	0.481	66%	0.66	S	S	.	*				67.9	149	121	-73	-168.4	0	0	0	123	N2021	H1909-N2021 PolarHBondContact CE1-ND2 3.21Å; H1909-N2021 VanDerWaalsContact CE1-ND2 3.29Å
1910	S	22.9	Very low	26.3	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	66%	0.66	S	S	*	*			trans	26.1	130.5	136.2	-46.2	0	0	0	0	119
1911	S	27.5	Very low	26.4	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	66%	0.661	S	S	*	*			cis	-133.6	160.4	26.3	60.9	0	0	0	0	111
1912	K	24.6	Very low	26.5	Very low	161 Å²	161	125.5 Å²	125.5	70%	0.7	66%	0.664	S	S	*	*			cis	61.8	142.1	43.1	-165.7	-173.8	-177.5	-176.1	0	111.4	D1914	K1912-D1914 WeakPolarHBondContact CA-OD2 3.4Å; K1912-D1914 WeakPolarHBondContact CG-OD2 3.41Å
1913	I	25.8	Very low	26.8	Very low	148 Å²	148	121.9 Å²	121.9	76%	0.759	65%	0.651	S	S	*	*			trans	62.1	74.4	-164.1	-45.1	175.8	0	0	0	108.2
1914	D	23.4	Very low	26.8	Very low	117 Å²	117	119.2 Å²	119.2	63%	0.626	65%	0.65	S	S	*	*			cis	59.2	152.2	39.1	-39	-44.3	0	0	0	112.5	K1912	K1912-D1914 WeakPolarHBondContact CA-OD2 3.4Å; K1912-D1914 WeakPolarHBondContact CG-OD2 3.41Å
1915	S	24.8	Very low	27	Very low	98 Å²	98	121.3 Å²	121.3	69%	0.685	65%	0.651	S	S	*	*			trans	63.7	119.2	-172.5	39.8	0	0	0	0	117.6
1916	D	24.3	Very low	27.4	Very low	134 Å²	134	119.7 Å²	119.7	72%	0.717	65%	0.654	S	S	*	*			trans	46.4	121.3	135.6	-39.9	-38.7	0	0	0	121.4
1917	V	29.4	Very low	27.8	Very low	136 Å²	136	124.1 Å²	124.1	82%	0.824	67%	0.672	S	S	*	*				-124	114.8	102.4	-153.3	0	0	0	0	108.9
1918	N	24.3	Very low	28.1	Very low	98 Å²	98	124.1 Å²	124.1	52%	0.524	68%	0.678	S	S	.	*			trans	-4.3	146.3	130.5	-78.2	-60.8	0	0	0	116.2	Q1920	N1918-Q1920 HydrophobicContact CB-CG 4.14Å
1919	N	28.9	Very low	28.5	Very low	131 Å²	131	127.8 Å²	127.8	70%	0.701	69%	0.693	S	S	*	*				-149.1	123.4	95.5	-90.4	-18.4	0	0	0	107.7
1920	Q	24.5	Very low	28.9	Very low	135 Å²	135	127.8 Å²	127.8	63%	0.631	70%	0.7	S	S	*	*				49.2	108.1	73.5	-64	-179.8	20.9	0	0	110.1	N1918	N1918-Q1920 HydrophobicContact CB-CG 4.14Å
1921	E	27.6	Very low	29.3	Very low	178 Å²	178	130.1 Å²	130.1	83%	0.832	70%	0.699	S	S	*	*				-160.7	144.1	123.1	-77.1	-137.4	142.9	0	0	105.9
1922	L	31.7	Very low	29.3	Very low	130 Å²	130	131.3 Å²	131.3	68%	0.681	70%	0.696	S	S	*	*			cis	-164	179.3	-13.7	-111.3	-174.9	0	0	0	104.7
1923	S	32.5	Very low	29.5	Very low	70 Å²	70	129.5 Å²	129.5	49%	0.49	70%	0.699	S	S	.	*			cis	-165.7	150.8	2.3	38.6	0	0	0	0	108.5
1924	C	31.9	Very low	29.5	Very low	120 Å²	120	127.8 Å²	127.8	81%	0.811	70%	0.7	S	S	*	*				-169.1	100.1	125.2	-99.9	0	0	0	0	107
1925	H	33	Very low	30.4	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.787	71%	0.707	S	S	*	*				65.4	122.1	84.8	-70.8	-57.9	0	0	0	112.7
1926	G	34.5	Very low	30.4	Very low	62 Å²	62	128.4 Å²	128.4	64%	0.639	71%	0.711	S	S	*	*			cis	-140	-164.1	-7.8	0	0	0	0	0	109.5
1927	F	35	Very low	31.1	Very low	186 Å²	186	132 Å²	132	82%	0.816	72%	0.72	S	S	*	*			cis	-154.7	137.3	26.7	-99.2	-109	0	0	0	108.2
1928	Q	32.9	Very low	31	Very low	143 Å²	143	133.7 Å²	133.7	67%	0.668	72%	0.719	S	S	*	*				68	127.3	96.5	-159.7	160.1	50.5	0	0	113.9
1929	Q	33.5	Very low	31.4	Very low	152 Å²	152	134.3 Å²	134.3	71%	0.71	73%	0.728	S	S	*	*			cis	-171.2	-176.8	-0.4	-126.6	177	-116.5	0	0	108.4
1930	V	33	Very low	31.5	Very low	103 Å²	103	133.1 Å²	133.1	62%	0.624	73%	0.73	S	S	*	*			cis	-166.2	178.7	-5.5	67	0	0	0	0	109.7
1931	H	31.2	Very low	31.9	Very low	157 Å²	157	135.1 Å²	135.1	73%	0.727	74%	0.739	S	S	*	*			trans	73.3	157.1	162.6	-93.2	-116	0	0	0	119.1
1932	L	28.6	Very low	32	Very low	128 Å²	128	135 Å²	135	67%	0.67	74%	0.739	S	S	*	*				-173.5	163.9	-52.8	-112	173.2	0	0	0	111.7
1933	T	29.6	Very low	31.8	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	74%	0.742	S	S	*	*			trans	68.3	136.5	154.4	43.5	0	0	0	0	123.4
1934	S	25.1	Very low	31.4	Very low	113 Å²	113	137 Å²	137	79%	0.79	75%	0.746	S	S	*	*			trans	-108.9	-157.4	156.5	-43.4	0	0	0	0	108.1
1935	P	41.1	Very low	31.4	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	74%	0.743	S	S	*	*			cis	-140.9	-168.5	-10.4	41.1	-20.7	0	0	0	115.9
1936	S	25.8	Very low	31.3	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	74%	0.74	S	S	*	*			trans	83.4	118.9	141.6	-166.3	0	0	0	0	122.7
1937	K	38.4	Very low	30.9	Very low	209 Å²	209	137.1 Å²	137.1	91%	0.909	74%	0.742	S	S	*	*				-159.1	156	119	-113.5	174	-176	176.6	0	113.4
1938	Q	26.8	Very low	30.6	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	74%	0.743	S	S	*	*			trans	-87.1	174.5	177.2	-99.9	-177.2	-10.5	0	0	111.6
1939	P	33.8	Very low	30.3	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	74%	0.744	S	S	*	*			cis	-144.1	-167.1	28.4	45.1	-25.6	0	0	0	117.9
1940	S	29.8	Very low	30	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	75%	0.747	S	S	*	*			trans	84.9	115.8	163	71.5	0	0	0	0	119.3
1941	Q	34.2	Very low	29.7	Very low	177 Å²	177	132.4 Å²	132.4	83%	0.827	75%	0.75	S	S	*	*			trans	50.2	124	150	-59.8	-179.1	7.2	0	0	119.9
1942	Q	29.4	Very low	29.5	Very low	177 Å²	177	131 Å²	131	83%	0.827	75%	0.752	S	S	*	*			cis	-153.8	143.7	-10.8	-142	167.8	12.6	0	0	111.3
1943	H	28.1	Very low	29.4	Very low	160 Å²	160	129.7 Å²	129.7	74%	0.741	75%	0.754	S	S	*	*			trans	-48	137.8	170.9	-78.4	-86.3	0	0	0	112.1
1944	S	23.4	Very low	29.4	Very low	82 Å²	82	133.2 Å²	133.2	57%	0.573	76%	0.759	S	S	*	*				65.4	163.6	65.5	97.8	0	0	0	0	113.6
1945	T	32.1	Very low	29.7	Very low	121 Å²	121	133.6 Å²	133.6	74%	0.742	76%	0.757	S	S	*	*			trans	74.8	149.4	-169	81.6	0	0	0	0	113.3
1946	N	31.3	Very low	29.4	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	76%	0.756	S	S	*	*			cis	-132.8	144.5	-12.6	-92.6	-43.2	0	0	0	106.6
1947	S	26.3	Very low	29.7	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	76%	0.762	S	S	*	*				70.6	138.4	52.2	-49.7	0	0	0	0	114.5
1948	K	29.2	Very low	29.6	Very low	194 Å²	194	130.3 Å²	130.3	84%	0.843	75%	0.751	S	S	*	*			trans	78.1	89.2	164.8	-62.8	178.6	-179.3	176.8	0	119.1
1949	S	26.3	Very low	29.9	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	75%	0.754	S	S	*	*				61.6	127.1	114.4	65	0	0	0	0	122.4
1950	S	27	Very low	30.1	Very low	111 Å²	111	130 Å²	130	78%	0.776	75%	0.75	S	S	*	*			trans	81.1	147.4	130.4	71.4	0	0	0	0	121.8
1951	A	26.8	Very low	30.1	Very low	83 Å²	83	132.7 Å²	132.7	69%	0.686	76%	0.756	S	S	*	*			trans	89.5	132.4	153.7	0	0	0	0	0	120.6
1952	T	26.7	Very low	30	Very low	126 Å²	126	129.3 Å²	129.3	77%	0.773	75%	0.752	S	S	*	*			trans	61.7	115.7	146.9	48.2	0	0	0	0	122.1
1953	S	26	Very low	30.2	Very low	102 Å²	102	126 Å²	126	71%	0.713	75%	0.748	S	S	*	*				64.9	108.5	122.8	-56.9	0	0	0	0	121.9
1954	K	30	Very low	30.5	Very low	196 Å²	196	123.6 Å²	123.6	85%	0.852	75%	0.749	S	S	*	*				57.2	133.5	127.8	-62.5	-175.4	176.5	-179.6	0	121.2
1955	T	31.3	Very low	31	Very low	122 Å²	122	124.5 Å²	124.5	75%	0.748	76%	0.756	S	S	*	*			trans	102.1	93.7	144.9	-48.8	0	0	0	0	119.2
1956	V	34.8	Very low	31	Very low	123 Å²	123	123.9 Å²	123.9	75%	0.745	76%	0.756	S	S	*	*				32.7	115.7	125.8	-170.8	0	0	0	0	119.5
1957	T	32.3	Very low	31	Very low	145 Å²	145	124.8 Å²	124.8	89%	0.89	77%	0.767	S	S	*	*				-164.1	170.3	114.7	10.3	0	0	0	0	111.7
1958	S	35.3	Very low	31.3	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	76%	0.764	S	S	*	*			trans	-143.6	154.3	-162.3	57.1	0	0	0	0	113.8
1959	Q	34.4	Very low	31.4	Very low	184 Å²	184	123 Å²	123	86%	0.86	76%	0.76	S	S	*	*			trans	-172.4	121.1	153.8	-102.2	156.6	77.4	0	0	107.4
1960	S	36.6	Very low	31.5	Very low	93 Å²	93	129.1 Å²	129.1	65%	0.65	77%	0.768	S	S	*	*				73.5	142.7	77.7	75.9	0	0	0	0	113.9
1961	L	31.3	Very low	31.6	Very low	163 Å²	163	128.6 Å²	128.6	85%	0.853	76%	0.764	S	S	*	*			cis	-157.3	-168.5	9.4	-129.4	167.3	0	0	0	111.3
1962	S	30.7	Very low	31.7	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	77%	0.774	S	S	*	*			trans	-147.1	149.6	-168.6	59.6	0	0	0	0	115.1
1963	S	33.4	Very low	31.9	Very low	107 Å²	107	136 Å²	136	75%	0.748	78%	0.781	S	S	*	*			trans	-165.2	130	170.6	47.1	0	0	0	0	109.7
1964	S	35.3	Very low	32.2	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	78%	0.783	S	S	*	*				72.7	140.6	55.7	75.2	0	0	0	0	114.2
1965	S	34.7	Very low	32.8	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	78%	0.776	S	S	*	*			cis	-176.5	145.8	-9.8	44	0	0	0	0	112.7
1966	S	31.5	Very low	33.4	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	78%	0.776	S	S	*	*			trans	44.8	129.1	147.9	62.7	0	0	0	0	124.2
1967	T	32.1	Very low	33	Very low	154 Å²	154	130.1 Å²	130.1	95%	0.945	77%	0.773	S	S	*	*			trans	-163.9	-178.7	140.2	13.7	0	0	0	0	112.1
1968	S	31.9	Very low	33.1	Very low	88 Å²	88	127.5 Å²	127.5	62%	0.615	76%	0.761	S	S	*	*			trans	-137	166.6	-159.3	50	0	0	0	0	117.6
1969	H	30.8	Very low	33	Very low	165 Å²	165	129.8 Å²	129.8	76%	0.764	76%	0.761	S	S	*	*			trans	107.5	124.4	152.2	-59.5	-65.6	0	0	0	122.8
1970	R	28	Very low	32.7	Very low	226 Å²	226	127.8 Å²	127.8	85%	0.853	76%	0.756	S	S	*	*			trans	79.3	141.1	132	-89.1	-173.3	168.9	-162.2	-2.4	123.6
1971	S	29.5	Very low	32.4	Very low	100 Å²	100	128.8 Å²	128.8	70%	0.699	76%	0.758	S	S	*	*			trans	73.9	158.5	143.4	-69.3	0	0	0	0	119.7
1972	R	28	Very low	32.3	Very low	237 Å²	237	125.5 Å²	125.5	89%	0.894	75%	0.749	S	S	*	*			cis	173.5	127.2	-34.9	-127.1	-173.5	176.9	-160.2	0.5	108
1973	S	31.3	Very low	32.3	Very low	129 Å²	129	129 Å²	129	90%	0.902	75%	0.754	S	S	*	*			trans	-170.7	155.9	162	44.7	0	0	0	0	112.7
1974	A	32.3	Very low	32	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	75%	0.754	S	S	*	*			trans	-148	-160	-170.8	0	0	0	0	0	109.5
1975	P	42.8	Very low	31.8	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	75%	0.75	S	S	*	*			cis	-97.2	-129.3	-15.5	43.5	-32.5	0	0	0	109.4
1976	P	43.6	Very low	31.4	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	75%	0.752	S	S	*	*			cis	-72.2	-176.2	-9.9	-19.5	37.1	0	0	0	115.2
1977	C	27.9	Very low	31.2	Very low	101 Å²	101	132.8 Å²	132.8	68%	0.682	75%	0.753	S	S	*	*			cis	82	118.9	5.4	-61.3	0	0	0	0	118.3
1978	S	34.1	Very low	31	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	75%	0.745	S	S	*	*			cis	-170.2	165.2	12.3	-79.2	0	0	0	0	108.7
1979	E	32.3	Very low	31.1	Very low	146 Å²	146	131.9 Å²	131.9	68%	0.682	75%	0.75	S	S	*	*			cis	-161.2	-165.6	-11.3	-129.2	66.1	-80.4	0	0	109.1
1980	D	28.5	Very low	30.9	Very low	142 Å²	142	131.6 Å²	131.6	76%	0.759	75%	0.752	S	S	*	*			trans	64.1	137.8	163	-66.1	-5.9	0	0	0	120.8
1981	T	30.8	Very low	30.8	Very low	114 Å²	114	125.9 Å²	125.9	70%	0.699	75%	0.747	S	S	*	*			cis	-160.7	155.2	-10.4	15.3	0	0	0	0	110.2
1982	S	29.2	Very low	30.6	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	75%	0.746	S	S	*	*			trans	48.5	146.4	148.3	65.2	0	0	0	0	121.8
1983	E	30.1	Very low	30.4	Very low	180 Å²	180	125.5 Å²	125.5	84%	0.841	74%	0.742	S	S	*	*			cis	-163.2	-177.2	-7.1	-121.9	160.9	-139.9	0	0	111.9
1984	E	28	Very low	30.2	Very low	164 Å²	164	128.8 Å²	128.8	77%	0.766	74%	0.736	S	S	*	*			trans	-53.9	-177.5	175.1	-53.1	-170.6	143.2	0	0	117.2
1985	T	30.4	Very low	29.9	Very low	109 Å²	109	130.4 Å²	130.4	67%	0.669	74%	0.737	S	S	*	*			cis	-152	173.5	8.2	-15.1	0	0	0	0	113.2
1986	T	26	Very low	29.2	Very low	123 Å²	123	130.7 Å²	130.7	76%	0.755	74%	0.741	S	S	*	*			trans	-43.4	162.6	165.6	63.5	0	0	0	0	115.6
1987	S	28.5	Very low	28.6	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	73%	0.728	S	S	*	*			cis	-170.1	172.6	41.3	55.4	0	0	0	0	113.5
1988	S	26	Very low	28.7	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	74%	0.739	S	S	*	*			trans	-101.6	160.4	166.2	-41.8	0	0	0	0	110.6
1989	P	34.8	Very low	29	Very low	112 Å²	112	133.2 Å²	133.2	73%	0.727	73%	0.727	S	S	*	*				-156.8	150.6	83.7	38.1	-17.1	0	0	0	119.8
1990	I	27.3	Very low	28.9	Very low	159 Å²	159	131.4 Å²	131.4	82%	0.815	73%	0.731	S	S	*	*			trans	66.6	105	137.6	-60.7	169.5	0	0	0	121.2
1991	S	25.2	Very low	29.1	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	73%	0.731	S	S	*	*			trans	68.3	156.6	137.5	-133.4	0	0	0	0	118.8
1992	V	25.3	Very low	29.1	Very low	113 Å²	113	133.3 Å²	133.3	69%	0.685	73%	0.732	S	S	*	*			cis	-151.4	142.1	29.4	-179.3	0	0	0	0	113.2
1993	R	25	Very low	29.3	Very low	215 Å²	215	134.2 Å²	134.2	81%	0.811	73%	0.729	S	S	*	*			trans	79.1	138.6	153.4	-87.6	171.9	-171.6	174.9	4.9	124.6
1994	Y	25.5	Very low	29.4	Very low	198 Å²	198	129.5 Å²	129.5	78%	0.776	72%	0.716	S	S	*	*			trans	61.2	109.6	147	-76.3	-68.9	0	0	0	123.6
1995	V	25.9	Very low	29.6	Very low	128 Å²	128	126.6 Å²	126.6	78%	0.776	71%	0.713	S	S	*	*			trans	63.3	126.8	134	166.2	0	0	0	0	119.7
1996	S	28.4	Very low	29.8	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	72%	0.718	S	S	*	*			trans	-152.7	146.4	143.1	-82.5	0	0	0	0	110.3
1997	N	32.1	Very low	30	Very low	89 Å²	89	130.4 Å²	130.4	48%	0.476	72%	0.718	S	S	.	*			trans	-170.2	120.8	148.8	-117.1	-39.5	0	0	0	112.3	S1787	S1787-N1997 PolarHBondContact O-ND2 3.1Å; S1787-N1997 PolarHBondContact O-OD1 2.69Å
1998	K	29.1	Very low	30	Very low	213 Å²	213	129.6 Å²	129.6	93%	0.926	71%	0.712	S	S	*	*			trans	-152.6	111.6	142.4	-83.6	-148.2	175.7	-174.5	0	108.7
1999	P	40.8	Very low	30.4	Very low	59 Å²	59	130.9 Å²	130.9	38%	0.383	72%	0.716	S	S	.	*			trans	-135.7	150.3	-176.1	40.4	-26	0	0	0	116	G1786	G1786-P1999 VanDerWaalsContact CA-CG 3.44Å; G1786-P1999 VanDerWaalsContact N-CB 3.29Å
2000	S	29.2	Very low	30.1	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	72%	0.719	S	S	*	*			trans	-179.5	158.4	159	51.7	0	0	0	0	111.3
2001	E	33.3	Very low	30.3	Very low	162 Å²	162	130.2 Å²	130.2	76%	0.757	71%	0.711	S	S	*	*			cis	-170.2	175.8	-42.7	-140.9	-173.9	-147	0	0	110.6
2002	N	31.7	Very low	30.7	Very low	134 Å²	134	133.3 Å²	133.3	72%	0.717	71%	0.712	S	S	*	*			trans	82	164	177.6	-55.9	-90.6	0	0	0	116.5
2003	L	33.6	Very low	30.8	Very low	114 Å²	114	134.9 Å²	134.9	60%	0.597	72%	0.716	S	S	*	*			cis	-150.7	137.9	4.9	-162.9	64	0	0	0	114.6
2004	S	31.3	Very low	31.1	Very low	81 Å²	81	129.3 Å²	129.3	57%	0.566	71%	0.71	S	S	*	*			trans	31.6	115.7	149.5	-54.1	0	0	0	0	125.2
2005	S	33.2	Very low	31.2	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	71%	0.712	S	S	*	*				60.2	156.7	120	79.6	0	0	0	0	122.2
2006	Q	33.6	Very low	31.8	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	71%	0.708	S	S	*	*			cis	-167.1	176.9	26.4	-152.3	-177.4	96.3	0	0	112.9
2007	I	30.8	Very low	31.7	Very low	149 Å²	149	125.4 Å²	125.4	76%	0.764	70%	0.696	S	S	*	*			trans	78.8	141	160.8	-63.7	165.6	0	0	0	117.3
2008	S	27.6	Very low	31.5	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	68%	0.679	S	S	*	*			cis	-171.1	-170.7	-26.1	-164.6	0	0	0	0	111.2
2009	T	34.3	Very low	31.5	Very low	139 Å²	139	115.6 Å²	115.6	85%	0.853	66%	0.66	S	S	*	*			trans	84.4	131.1	178.3	71.3	0	0	0	0	117.2
2010	N	29.7	Very low	31.1	Very low	147 Å²	147	117.1 Å²	117.1	79%	0.786	67%	0.672	S	S	*	*				163.4	172.2	-59.4	-170.4	6.6	0	0	0	109.1
2011	V	31.3	Very low	31.4	Very low	109 Å²	109	117.3 Å²	117.3	66%	0.661	67%	0.665	S	S	*	*			trans	87.6	125.6	172.9	178.1	0	0	0	0	115.5
2012	K	32.6	Very low	31.7	Very low	172 Å²	172	115.6 Å²	115.6	75%	0.748	67%	0.665	S	S	*	*			cis	-158.8	147.9	-8.5	-112.2	172.7	-154.2	166.1	0	111.1
2013	N	28.9	Very low	32	Very low	146 Å²	146	113.4 Å²	113.4	78%	0.781	66%	0.66	S	S	*	*			trans	24.9	144.8	134	-59	15.6	0	0	0	121.1
2014	S	30.4	Very low	32.2	Very low	97 Å²	97	112.7 Å²	112.7	68%	0.678	66%	0.663	S	S	*	*			cis	-179.2	139.2	-1.1	45.6	0	0	0	0	113.6
2015	V	27.8	Very low	33.1	Very low	137 Å²	137	113.7 Å²	113.7	83%	0.83	66%	0.661	S	S	*	*			trans	63.5	146.9	142.9	178.3	0	0	0	0	119.1
2016	P	37.4	Very low	33.9	Very low	106 Å²	106	115.2 Å²	115.2	69%	0.688	66%	0.661	S	S	*	*			cis	-114	-156.7	-12.1	24.2	-0.6	0	0	0	112
2017	E	26.7	Very low	34.8	Very low	114 Å²	114	111 Å²	111	53%	0.533	65%	0.647	S	S	.	*			trans	80.1	141.9	155.7	-60.6	-129.8	-171.5	0	0	119.6	Q1906	Q1906-E2017 VanDerWaalsContact CB-OE2 3.3Å; Q1906-E2017 WeakPolarHBondContact CB-OE2 3.24Å; Q1906-E2017 PolarHBondContact NE2-OE2 3.44Å
2018	N	27.8	Very low	35.6	Very low	20 Å²	20	110.2 Å²	110.2	11%	0.107	64%	0.642	C	S	.	*			cis	-155.6	39.8	-22.3	-118.6	-26.9	0	0	0	121.2	Q1906 R1907 L1908	Q1906-N2018 HydrophobicContact CB-CB 3.75Å; Q1906-N2018 WeakPolarHBondContact CB-ND2 3.45Å; Q1906-N2018 VanDerWaalsContact CD-CB 3.41Å; Q1906-N2018 HydrophobicContact CG-CB 3.85Å; R1907-N2018 VanDerWaalsContact C-CG 3.45Å; R1907-N2018 WeakPolarHBondContact CA-OD1 3.37Å; R1907-N2018 HydrophobicContact CB-CB 3.76Å; R1907-N2018 VanDerWaalsContact CB-O 3.28Å; R1907-N2018 WeakPolarHBondContact CB-O 3.41Å; R1907-N2018 VanDerWaalsContact CB-OD1 3.27Å; R1907-N2018 WeakPolarHBondContact CB-OD1 3.1Å; R1907-N2018 WeakPolarHBondContact CD-O 3.31Å; R1907-N2018 PolarHBondContact N-ND2 2.98Å; R1907-N2018 PolarHBondContact NH1-O 2.99Å; R1907-N2018 PolarHBondContact O-OD1 2.93Å; L1908-N2018 WeakPolarHBondContact CA-OD1 2.96Å; L1908-N2018 WeakPolarHBondContact CB-OD1 3.3Å; L1908-N2018 WeakPolarHBondContact CD1-OD1 3.27Å; L1908-N2018 HydrophobicContact CG-CB 4.43Å; L1908-N2018 WeakPolarHBondContact CG-OD1 3.44Å; L1908-N2018 PolarHBondContact N-OD1 3.42Å
2019	S	29.7	Very low	37	Very low	75 Å²	75	112.9 Å²	112.9	52%	0.524	64%	0.639	S	S	.	*			trans	-178	141.3	160.6	47.6	0	0	0	0	116.6	R1907	R1907-S2019 PolarHBondContact NH1-OG 3.07Å
2020	S	32.1	Very low	38.2	Very low	91 Å²	91	108.6 Å²	108.6	64%	0.636	62%	0.617	S	S	*	*				161.1	41	129.3	57.7	0	0	0	0	119.1	V2022	S2020-V2022 PolarHBondContact O-N 3.02Å
2021	N	35.5	Very low	39.7	Very low	113 Å²	113	108.5 Å²	108.5	60%	0.604	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	65.7	174.9	-78.2	12.7	0	0	0	115.1	H1909	H1909-N2021 PolarHBondContact CE1-ND2 3.21Å; H1909-N2021 VanDerWaalsContact CE1-ND2 3.29Å
2022	V	39.5	Very low	41.5	Very low	125 Å²	125	108.4 Å²	108.4	76%	0.758	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	2.6	174.1	-163.2	0	0	0	0	113.5	S2020	S2020-V2022 PolarHBondContact O-N 3.02Å
2023	S	38.6	Very low	43.5	Very low	89 Å²	89	103.2 Å²	103.2	62%	0.622	59%	0.587	S	S	*	*	S	Bend	trans	-107.3	-3.1	-175.7	57.4	0	0	0	0	116.1
2024	C	38.6	Very low	45.5	Very low	98 Å²	98	102.5 Å²	102.5	66%	0.662	58%	0.579	S	S	*	*	S	Bend	trans	-125.8	-6.1	-169.7	-60.8	0	0	0	0	115.8
2025	I	50.3	Low	47.6	Very low	103 Å²	103	101.8 Å²	101.8	53%	0.528	57%	0.565	S	S	.	*	S	Bend	trans	-93.7	-28.8	-179.7	-65.2	174.5	0	0	0	112	P2027 Y2029	I2025-P2027 VanDerWaalsContact C-CD 3.42Å; I2025-Y2029 HydrophobicContact CG2-CD2 3.82Å; I2025-Y2029 HydrophobicContact CG2-CE2 3.58Å
2026	L	49.8	Very low	50	Low	135 Å²	135	100 Å²	100	71%	0.707	55%	0.549	S	S	*	.	H	α-helix	trans	-59.2	-32.1	178.6	-76.4	166.3	0	0	0	115.8	A2030	L2026-A2030 PolarHBondContact O-N 3.43Å
2027	P	51.9	Low	51.9	Low	74 Å²	74	100.2 Å²	100.2	48%	0.481	54%	0.541	S	S	.	.	H	α-helix	trans	-69.7	-42.1	179	-21.4	34.4	0	0	0	114.2	I2025 A2030 E2031	I2025-P2027 VanDerWaalsContact C-CD 3.42Å; P2027-A2030 WeakPolarHBondContact O-CB 3.49Å; P2027-A2030 PolarHBondContact O-N 3.39Å; P2027-A2030 VanDerWaalsContact O-N 3.12Å; P2027-E2031 PolarHBondContact O-N 2.96Å; P2027-E2031 VanDerWaalsContact O-N 3.11Å
2028	M	48.2	Very low	54.4	Low	132 Å²	132	98.7 Å²	98.7	65%	0.65	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-45.7	-173.6	-69.4	-179.8	66.3	0	0	111.8	A2030 E2031 E2032	M2028-A2030 PolarHBondContact O-N 3.14Å; M2028-E2031 PolarHBondContact O-N 3.27Å; M2028-E2032 PolarHBondContact O-N 3.15Å
2029	Y	56	Low	57.1	Low	149 Å²	149	102.8 Å²	102.8	58%	0.584	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-24.6	174.5	-69.8	-56.9	0	0	0	113.2	I2025 E2032 V2033	I2025-Y2029 HydrophobicContact CG2-CD2 3.82Å; I2025-Y2029 HydrophobicContact CG2-CE2 3.58Å; Y2029-E2032 WeakPolarHBondContact CD1-OE2 3.37Å; Y2029-V2033 WeakPolarHBondContact O-CB 3.42Å; Y2029-V2033 WeakPolarHBondContact O-CG2 3.48Å; Y2029-V2033 PolarHBondContact O-N 3.03Å
2030	A	60	Low	59.8	Low	48 Å²	48	104.1 Å²	104.1	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-72.6	-33.9	174.1	0	0	0	0	0	112	L2026 P2027 M2028 Q2034	L2026-A2030 PolarHBondContact O-N 3.43Å; P2027-A2030 WeakPolarHBondContact O-CB 3.49Å; P2027-A2030 PolarHBondContact O-N 3.39Å; P2027-A2030 VanDerWaalsContact O-N 3.12Å; M2028-A2030 PolarHBondContact O-N 3.14Å; A2030-Q2034 WeakPolarHBondContact O-CB 3.45Å; A2030-Q2034 VanDerWaalsContact O-CG 3.29Å; A2030-Q2034 WeakPolarHBondContact O-CG 3.3Å; A2030-Q2034 PolarHBondContact O-N 2.98Å
2031	E	60.8	Low	62.2	Low	145 Å²	145	102.9 Å²	102.9	68%	0.678	53%	0.53	S	S	*	.	H	α-helix	trans	-76.8	-42.4	178.9	-153.7	157.1	-132.8	0	0	111.1	P2027 M2028 V2033 Q2034 E2035	P2027-E2031 PolarHBondContact O-N 2.96Å; P2027-E2031 VanDerWaalsContact O-N 3.11Å; M2028-E2031 PolarHBondContact O-N 3.27Å; E2031-V2033 PolarHBondContact O-N 3.16Å; E2031-Q2034 PolarHBondContact O-N 3.18Å; E2031-E2035 PolarHBondContact O-N 3.33Å
2032	E	69.9	Low	64.5	Low	107 Å²	107	102.2 Å²	102.2	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-40.9	169.7	-72.1	-177.4	148.8	0	0	112.3	M2028 Y2029 M2036	M2028-E2032 PolarHBondContact O-N 3.15Å; Y2029-E2032 WeakPolarHBondContact CD1-OE2 3.37Å; E2032-M2036 HydrophobicContact CB-CE 4.46Å; E2032-M2036 WeakPolarHBondContact O-CB 3.2Å; E2032-M2036 WeakPolarHBondContact O-CE 3.2Å; E2032-M2036 WeakPolarHBondContact O-CG 3.28Å; E2032-M2036 PolarHBondContact O-N 2.83Å
2033	V	73.1	Confident	66.9	Low	64 Å²	64	102.5 Å²	102.5	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-67.8	-41.7	176.2	166.7	0	0	0	0	111.6	Y2029 E2031 E2035 M2036 E2037	Y2029-V2033 WeakPolarHBondContact O-CB 3.42Å; Y2029-V2033 WeakPolarHBondContact O-CG2 3.48Å; Y2029-V2033 PolarHBondContact O-N 3.03Å; E2031-V2033 PolarHBondContact O-N 3.16Å; V2033-E2035 VanDerWaalsContact C-N 3.32Å; V2033-E2035 PolarHBondContact O-N 2.91Å; V2033-M2036 HydrophobicContact CG2-CE 4.14Å; V2033-M2036 PolarHBondContact O-N 3.15Å; V2033-E2037 HydrophobicContact CG1-CG 4.27Å; V2033-E2037 WeakPolarHBondContact O-CB 3.49Å; V2033-E2037 VanDerWaalsContact O-CG 3.29Å; V2033-E2037 WeakPolarHBondContact O-CG 3.32Å; V2033-E2037 PolarHBondContact O-N 3.31Å
2034	Q	70.8	Confident	69.2	Low	130 Å²	130	102.6 Å²	102.6	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-65.3	-34.3	176.8	-79.7	-179.7	1.7	0	0	112.9	A2030 E2031 R2038	A2030-Q2034 WeakPolarHBondContact O-CB 3.45Å; A2030-Q2034 VanDerWaalsContact O-CG 3.29Å; A2030-Q2034 WeakPolarHBondContact O-CG 3.3Å; A2030-Q2034 PolarHBondContact O-N 2.98Å; E2031-Q2034 PolarHBondContact O-N 3.18Å; Q2034-R2038 WeakPolarHBondContact O-CB 3.27Å; Q2034-R2038 PolarHBondContact O-N 3.3Å
2035	E	76.2	Confident	71.6	Confident	82 Å²	82	98.6 Å²	98.6	38%	0.383	48%	0.475	S	S	.	.	H	α-helix	trans	-75.1	-38	175.7	-175.2	52.4	-151.4	0	0	111.9	E2031 V2033 R2038 Q2039	E2031-E2035 PolarHBondContact O-N 3.33Å; V2033-E2035 VanDerWaalsContact C-N 3.32Å; V2033-E2035 PolarHBondContact O-N 2.91Å; E2035-R2038 WeakPolarHBondContact O-CB 3.43Å; E2035-R2038 PolarHBondContact O-N 2.78Å; E2035-R2038 VanDerWaalsContact OE2-CD 3.3Å; E2035-R2038 WeakPolarHBondContact OE2-CD 3.36Å; E2035-R2038 IonicContact OE2-NE 3.01Å; E2035-R2038 PolarHBondContact OE2-NE 2.82Å; E2035-Q2039 WeakPolarHBondContact O-CB 3.49Å; E2035-Q2039 VanDerWaalsContact O-CG 3.31Å; E2035-Q2039 WeakPolarHBondContact O-CG 3.24Å; E2035-Q2039 PolarHBondContact O-N 3.26Å; E2035-Q2039 PolarHBondContact OE1-NE2 2.93Å
2036	M	77.1	Confident	73.4	Confident	101 Å²	101	102 Å²	102	50%	0.498	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-42.1	168.3	-75.4	-174	-72.5	0	0	111.8	E2032 V2033 R2038 Q2039 I2040	E2032-M2036 HydrophobicContact CB-CE 4.46Å; E2032-M2036 WeakPolarHBondContact O-CB 3.2Å; E2032-M2036 WeakPolarHBondContact O-CE 3.2Å; E2032-M2036 WeakPolarHBondContact O-CG 3.28Å; E2032-M2036 PolarHBondContact O-N 2.83Å; V2033-M2036 HydrophobicContact CG2-CE 4.14Å; V2033-M2036 PolarHBondContact O-N 3.15Å; M2036-R2038 VanDerWaalsContact C-N 3.32Å; M2036-R2038 PolarHBondContact O-N 2.83Å; M2036-Q2039 PolarHBondContact O-N 3.04Å; M2036-I2040 WeakPolarHBondContact O-CB 3.42Å; M2036-I2040 WeakPolarHBondContact O-CD1 3.45Å; M2036-I2040 WeakPolarHBondContact O-CG1 3.38Å; M2036-I2040 PolarHBondContact O-N 2.93Å
2037	E	78.1	Confident	75.4	Confident	109 Å²	109	100.6 Å²	100.6	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-34.3	174.1	-76.5	176.6	172	0	0	112.1	V2033 R2041	V2033-E2037 HydrophobicContact CG1-CG 4.27Å; V2033-E2037 WeakPolarHBondContact O-CB 3.49Å; V2033-E2037 VanDerWaalsContact O-CG 3.29Å; V2033-E2037 WeakPolarHBondContact O-CG 3.32Å; V2033-E2037 PolarHBondContact O-N 3.31Å; E2037-R2041 WeakPolarHBondContact O-CB 3.04Å; E2037-R2041 WeakPolarHBondContact O-CG 3.35Å; E2037-R2041 PolarHBondContact O-N 3.01Å; E2037-R2041 VanDerWaalsContact O-N 3.09Å; E2037-R2041 PolarHBondContact O-NE 3.18Å
2038	R	79.5	Confident	77.2	Confident	82 Å²	82	97.8 Å²	97.8	31%	0.309	46%	0.457	S	S	.	.	H	α-helix	trans	-66.1	-49.1	171.9	-177.9	-166.2	-72.6	-85.3	0.4	111	Q2034 E2035 M2036 R2041 Y2042 D2086	Q2034-R2038 WeakPolarHBondContact O-CB 3.27Å; Q2034-R2038 PolarHBondContact O-N 3.3Å; E2035-R2038 WeakPolarHBondContact O-CB 3.43Å; E2035-R2038 PolarHBondContact O-N 2.78Å; E2035-R2038 VanDerWaalsContact OE2-CD 3.3Å; E2035-R2038 WeakPolarHBondContact OE2-CD 3.36Å; E2035-R2038 IonicContact OE2-NE 3.01Å; E2035-R2038 PolarHBondContact OE2-NE 2.82Å; M2036-R2038 VanDerWaalsContact C-N 3.32Å; M2036-R2038 PolarHBondContact O-N 2.83Å; R2038-R2041 WeakPolarHBondContact O-CB 3.23Å; R2038-R2041 PolarHBondContact O-N 2.86Å; R2038-R2041 VanDerWaalsContact O-N 3.16Å; R2038-Y2042 HydrophobicContact CG-CD2 4Å; R2038-Y2042 HydrophobicContact CG-CE2 3.44Å; R2038-Y2042 VanDerWaalsContact CG-CE2 3.44Å; R2038-Y2042 PolarHBondContact NH1-OH 3.37Å; R2038-Y2042 PolarHBondContact O-N 3.11Å; R2038-D2086 IonicContact CZ-OD2 3.91Å; R2038-D2086 IonicContact NH1-OD1 3.16Å; R2038-D2086 IonicContact NH1-OD2 3.83Å; R2038-D2086 PolarHBondContact NH1-OD2 2.9Å
2039	Q	83.8	Confident	79.1	Confident	106 Å²	106	94.7 Å²	94.7	50%	0.495	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-44.9	-178.5	-70.6	172	15.3	0	0	111.7	E2035 M2036 R2041 Y2042 E2043	E2035-Q2039 WeakPolarHBondContact O-CB 3.49Å; E2035-Q2039 VanDerWaalsContact O-CG 3.31Å; E2035-Q2039 WeakPolarHBondContact O-CG 3.24Å; E2035-Q2039 PolarHBondContact O-N 3.26Å; E2035-Q2039 PolarHBondContact OE1-NE2 2.93Å; M2036-Q2039 PolarHBondContact O-N 3.04Å; Q2039-R2041 VanDerWaalsContact C-N 3.29Å; Q2039-R2041 PolarHBondContact O-N 2.67Å; Q2039-Y2042 PolarHBondContact O-N 3.41Å; Q2039-E2043 WeakPolarHBondContact O-CB 2.93Å; Q2039-E2043 PolarHBondContact O-N 2.62Å
2040	I	85.2	Confident	80.7	Confident	103 Å²	103	89.6 Å²	89.6	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-61.4	-36.2	174	-67.9	164.9	0	0	0	111.2	M2036 K2044	M2036-I2040 WeakPolarHBondContact O-CB 3.42Å; M2036-I2040 WeakPolarHBondContact O-CD1 3.45Å; M2036-I2040 WeakPolarHBondContact O-CG1 3.38Å; M2036-I2040 PolarHBondContact O-N 2.93Å; I2040-K2044 VanDerWaalsContact O-CB 3.3Å; I2040-K2044 WeakPolarHBondContact O-CB 3.15Å; I2040-K2044 PolarHBondContact O-N 3.15Å
2041	R	82.7	Confident	82.2	Confident	66 Å²	66	91.1 Å²	91.1	25%	0.249	43%	0.43	C	S	.	.	H	α-helix	trans	-67.1	-43.7	173.9	-77.9	-171.8	-62.8	135.5	-3.1	112.5	E2037 R2038 Q2039 K2044 T2045 D2086 L2091	E2037-R2041 WeakPolarHBondContact O-CB 3.04Å; E2037-R2041 WeakPolarHBondContact O-CG 3.35Å; E2037-R2041 PolarHBondContact O-N 3.01Å; E2037-R2041 VanDerWaalsContact O-N 3.09Å; E2037-R2041 PolarHBondContact O-NE 3.18Å; R2038-R2041 WeakPolarHBondContact O-CB 3.23Å; R2038-R2041 PolarHBondContact O-N 2.86Å; R2038-R2041 VanDerWaalsContact O-N 3.16Å; Q2039-R2041 VanDerWaalsContact C-N 3.29Å; Q2039-R2041 PolarHBondContact O-N 2.67Å; R2041-K2044 PolarHBondContact O-N 3.07Å; R2041-T2045 WeakPolarHBondContact O-CB 3.24Å; R2041-T2045 PolarHBondContact O-N 2.98Å; R2041-T2045 PolarHBondContact O-OG1 3.28Å; R2041-D2086 PolarHBondContact NH1-O 2.94Å; R2041-L2091 HydrophobicContact CB-CD2 4.15Å; R2041-L2091 HydrophobicContact CG-CD2 3.73Å
2042	Y	85	Confident	83.6	Confident	98 Å²	98	84.7 Å²	84.7	38%	0.384	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176	-67.7	-44.2	0	0	0	112.4	R2038 Q2039 T2045 Y2046 D2086	R2038-Y2042 HydrophobicContact CG-CD2 4Å; R2038-Y2042 HydrophobicContact CG-CE2 3.44Å; R2038-Y2042 VanDerWaalsContact CG-CE2 3.44Å; R2038-Y2042 PolarHBondContact NH1-OH 3.37Å; R2038-Y2042 PolarHBondContact O-N 3.11Å; Q2039-Y2042 PolarHBondContact O-N 3.41Å; Y2042-T2045 PolarHBondContact O-N 2.92Å; Y2042-Y2046 PolarHBondContact O-N 2.83Å; Y2042-D2086 WeakPolarHBondContact CE1-OD1 3.33Å; Y2042-D2086 PolarHBondContact OH-OD1 3.33Å; Y2042-D2086 PolarHBondContact OH-OD2 3.45Å
2043	E	88.3	Confident	84.5	Confident	131 Å²	131	83.6 Å²	83.6	61%	0.612	40%	0.398	S	S	*	.	H	α-helix	trans	-58.5	-49.8	175.9	-174.1	173.9	-149.2	0	0	110.6	Q2039 T2045 Y2046 D2047	Q2039-E2043 WeakPolarHBondContact O-CB 2.93Å; Q2039-E2043 PolarHBondContact O-N 2.62Å; E2043-T2045 PolarHBondContact O-N 2.72Å; E2043-Y2046 WeakPolarHBondContact O-CB 3.43Å; E2043-Y2046 PolarHBondContact O-N 3.34Å; E2043-Y2046 VanDerWaalsContact O-N 3.15Å; E2043-D2047 PolarHBondContact O-N 3.07Å
2044	K	88.8	Confident	85.4	Confident	91 Å²	91	86.8 Å²	86.8	40%	0.396	41%	0.41	S	S	.	.	H	α-helix	trans	-65.1	-36.6	177.6	-157.3	-174.6	-171.3	-164.2	0	113	I2040 R2041 Y2046 D2047 L2048 L2091 E2095	I2040-K2044 VanDerWaalsContact O-CB 3.3Å; I2040-K2044 WeakPolarHBondContact O-CB 3.15Å; I2040-K2044 PolarHBondContact O-N 3.15Å; R2041-K2044 PolarHBondContact O-N 3.07Å; K2044-Y2046 VanDerWaalsContact C-N 3.35Å; K2044-D2047 PolarHBondContact O-N 3.43Å; K2044-L2048 HydrophobicContact CG-CD1 4.21Å; K2044-L2048 WeakPolarHBondContact O-CB 3.43Å; K2044-L2048 WeakPolarHBondContact O-CD1 3.25Å; K2044-L2048 VanDerWaalsContact O-CG 3.24Å; K2044-L2048 WeakPolarHBondContact O-CG 3.38Å; K2044-L2048 PolarHBondContact O-N 3.19Å; K2044-L2091 HydrophobicContact CB-CD1 4.04Å; K2044-L2091 HydrophobicContact CB-CD2 4.41Å; K2044-L2091 HydrophobicContact CD-CD1 4.15Å; K2044-L2091 HydrophobicContact CD-CD2 4.09Å; K2044-L2091 HydrophobicContact CD-CG 4.45Å; K2044-L2091 HydrophobicContact CG-CD1 4.13Å; K2044-E2095 VanDerWaalsContact CE-OE1 3.25Å; K2044-E2095 WeakPolarHBondContact CE-OE1 3.35Å; K2044-E2095 VanDerWaalsContact NZ-CD 3.33Å; K2044-E2095 IonicContact NZ-OE1 2.67Å; K2044-E2095 PolarHBondContact NZ-OE1 2.87Å; K2044-E2095 IonicContact NZ-OE2 3.37Å; K2044-E2095 PolarHBondContact NZ-OE2 3.48Å
2045	T	88.2	Confident	86.4	Confident	15 Å²	15	81.3 Å²	81.3	9%	0.092	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-43.8	171.9	-76.5	0	0	0	0	111.2	R2041 Y2042 E2043 L2048 L2049 F2090 L2094	R2041-T2045 WeakPolarHBondContact O-CB 3.24Å; R2041-T2045 PolarHBondContact O-N 2.98Å; R2041-T2045 PolarHBondContact O-OG1 3.28Å; Y2042-T2045 PolarHBondContact O-N 2.92Å; E2043-T2045 PolarHBondContact O-N 2.72Å; T2045-L2048 PolarHBondContact O-N 3.46Å; T2045-L2049 HydrophobicContact CG2-CD1 4.05Å; T2045-L2049 WeakPolarHBondContact O-CG 3.5Å; T2045-L2049 PolarHBondContact O-N 3.43Å; T2045-F2090 HydrophobicContact CG2-CD1 4.46Å; T2045-F2090 HydrophobicContact CG2-CE1 3.88Å; T2045-L2094 HydrophobicContact CG2-CD2 4.15Å
2046	Y	88.3	Confident	87.1	Confident	175 Å²	175	80.3 Å²	80.3	69%	0.686	38%	0.379	S	S	*	.	H	α-helix	trans	-65.5	-45.3	178.3	-167	-92.9	0	0	0	111.8	Y2042 E2043 K2044 L2048 L2049 A2050	Y2042-Y2046 PolarHBondContact O-N 2.83Å; E2043-Y2046 WeakPolarHBondContact O-CB 3.43Å; E2043-Y2046 PolarHBondContact O-N 3.34Å; E2043-Y2046 VanDerWaalsContact O-N 3.15Å; K2044-Y2046 VanDerWaalsContact C-N 3.35Å; Y2046-L2048 VanDerWaalsContact C-N 3.32Å; Y2046-L2048 PolarHBondContact O-N 2.85Å; Y2046-L2049 PolarHBondContact O-N 2.81Å; Y2046-A2050 WeakPolarHBondContact O-CB 3.08Å; Y2046-A2050 PolarHBondContact O-N 2.94Å
2047	D	91	Very high	87.7	Confident	104 Å²	104	80.4 Å²	80.4	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-58.9	-40.5	174.6	-87.1	-7.4	0	0	0	112.5	E2043 K2044 A2050 Q2051	E2043-D2047 PolarHBondContact O-N 3.07Å; K2044-D2047 PolarHBondContact O-N 3.43Å; D2047-A2050 PolarHBondContact O-N 3.1Å; D2047-Q2051 VanDerWaalsContact O-CB 3.3Å; D2047-Q2051 WeakPolarHBondContact O-CB 3.36Å; D2047-Q2051 PolarHBondContact O-N 2.95Å
2048	L	90.9	Very high	88.3	Confident	16 Å²	16	79.1 Å²	79.1	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-71	-38.7	178	-75.2	162.6	0	0	0	112.5	K2044 T2045 Y2046 Q2051 Q2052 L2091 L2094 E2095 T2098	K2044-L2048 HydrophobicContact CG-CD1 4.21Å; K2044-L2048 WeakPolarHBondContact O-CB 3.43Å; K2044-L2048 WeakPolarHBondContact O-CD1 3.25Å; K2044-L2048 VanDerWaalsContact O-CG 3.24Å; K2044-L2048 WeakPolarHBondContact O-CG 3.38Å; K2044-L2048 PolarHBondContact O-N 3.19Å; T2045-L2048 PolarHBondContact O-N 3.46Å; Y2046-L2048 VanDerWaalsContact C-N 3.32Å; Y2046-L2048 PolarHBondContact O-N 2.85Å; L2048-Q2051 PolarHBondContact O-N 3.19Å; L2048-Q2052 WeakPolarHBondContact O-CG 3.47Å; L2048-Q2052 PolarHBondContact O-N 3.5Å; L2048-L2091 HydrophobicContact CD1-CD1 3.47Å; L2048-L2091 VanDerWaalsContact CD1-CD1 3.47Å; L2048-L2094 HydrophobicContact CB-CD2 3.57Å; L2048-L2094 HydrophobicContact CB-CG 3.98Å; L2048-L2094 HydrophobicContact CD1-CD2 4.16Å; L2048-L2094 HydrophobicContact CD1-CG 4.47Å; L2048-E2095 HydrophobicContact CD1-CG 3.4Å; L2048-E2095 VanDerWaalsContact CD1-CG 3.4Å; L2048-E2095 HydrophobicContact CD2-CG 4.01Å; L2048-E2095 HydrophobicContact CG-CG 4.36Å; L2048-T2098 HydrophobicContact CD2-CG2 4.24Å
2049	L	87.8	Confident	88.8	Confident	66 Å²	66	75.9 Å²	75.9	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-44.7	172.3	-72	169	0	0	0	110.9	T2045 Y2046 Q2051 Q2052 D2053 L2094	T2045-L2049 HydrophobicContact CG2-CD1 4.05Å; T2045-L2049 WeakPolarHBondContact O-CG 3.5Å; T2045-L2049 PolarHBondContact O-N 3.43Å; Y2046-L2049 PolarHBondContact O-N 2.81Å; L2049-Q2051 VanDerWaalsContact C-N 3.34Å; L2049-Q2051 PolarHBondContact O-N 2.75Å; L2049-Q2052 PolarHBondContact O-N 2.83Å; L2049-D2053 PolarHBondContact O-N 2.83Å; L2049-L2094 HydrophobicContact CD2-CD1 3.96Å; L2049-L2094 HydrophobicContact CD2-CD2 4.47Å; L2049-L2094 HydrophobicContact CG-CD2 4.19Å
2050	A	90	Very high	88.9	Confident	43 Å²	43	74.6 Å²	74.6	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-39.8	173.8	0	0	0	0	0	112.2	Y2046 D2047 D2053 M2054	Y2046-A2050 WeakPolarHBondContact O-CB 3.08Å; Y2046-A2050 PolarHBondContact O-N 2.94Å; D2047-A2050 PolarHBondContact O-N 3.1Å; A2050-D2053 PolarHBondContact O-N 3.33Å; A2050-M2054 WeakPolarHBondContact O-CG 3.47Å; A2050-M2054 PolarHBondContact O-N 2.85Å
2051	Q	91.1	Very high	89	Confident	80 Å²	80	73 Å²	73	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-41.1	174.3	-176.4	173.3	81.9	0	0	111.9	D2047 L2048 L2049 D2053 M2054 L2055 T2098	D2047-Q2051 VanDerWaalsContact O-CB 3.3Å; D2047-Q2051 WeakPolarHBondContact O-CB 3.36Å; D2047-Q2051 PolarHBondContact O-N 2.95Å; L2048-Q2051 PolarHBondContact O-N 3.19Å; L2049-Q2051 VanDerWaalsContact C-N 3.34Å; L2049-Q2051 PolarHBondContact O-N 2.75Å; Q2051-D2053 VanDerWaalsContact C-N 3.35Å; Q2051-D2053 PolarHBondContact O-N 2.78Å; Q2051-M2054 PolarHBondContact O-N 2.86Å; Q2051-L2055 HydrophobicContact CG-CD1 3.91Å; Q2051-L2055 HydrophobicContact CG-CG 4.38Å; Q2051-L2055 WeakPolarHBondContact O-CB 3.34Å; Q2051-L2055 VanDerWaalsContact O-CG 3.24Å; Q2051-L2055 WeakPolarHBondContact O-CG 3.37Å; Q2051-L2055 PolarHBondContact O-N 3.39Å; Q2051-T2098 HydrophobicContact CB-CG2 4.23Å; Q2051-T2098 HydrophobicContact CG-CG2 3.85Å; Q2051-T2098 VanDerWaalsContact OE1-CG2 3.24Å
2052	Q	90	Very high	89.2	Confident	9 Å²	9	70 Å²	70	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-46.1	173.4	-77.4	-157.2	11.1	0	0	111.2	L2048 L2049 L2055 K2056 T2098 L2101	L2048-Q2052 WeakPolarHBondContact O-CG 3.47Å; L2048-Q2052 PolarHBondContact O-N 3.5Å; L2049-Q2052 PolarHBondContact O-N 2.83Å; Q2052-L2055 CarbonylContact O-C 3.54Å; Q2052-L2055 PolarHBondContact O-N 3.46Å; Q2052-L2055 VanDerWaalsContact O-N 3.17Å; Q2052-K2056 WeakPolarHBondContact O-CB 3.36Å; Q2052-K2056 VanDerWaalsContact O-CG 3.27Å; Q2052-K2056 WeakPolarHBondContact O-CG 3.3Å; Q2052-K2056 PolarHBondContact O-N 2.78Å; Q2052-T2098 HydrophobicContact CG-CG2 3.89Å; Q2052-T2098 WeakPolarHBondContact CG-OG1 3.29Å; Q2052-T2098 PolarHBondContact NE2-OG1 2.78Å; Q2052-T2098 VanDerWaalsContact NE2-OG1 3.14Å; Q2052-L2101 HydrophobicContact CB-CD2 4.36Å; Q2052-L2101 WeakPolarHBondContact O-CD2 3.41Å
2053	D	88.2	Confident	89.2	Confident	85 Å²	85	66.1 Å²	66.1	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-68.4	-37.8	-177.9	-75.8	-4.2	0	0	0	112.3	L2049 A2050 Q2051 L2055 K2056 M2057	L2049-D2053 PolarHBondContact O-N 2.83Å; A2050-D2053 PolarHBondContact O-N 3.33Å; Q2051-D2053 VanDerWaalsContact C-N 3.35Å; Q2051-D2053 PolarHBondContact O-N 2.78Å; D2053-L2055 PolarHBondContact O-N 2.91Å; D2053-K2056 PolarHBondContact O-N 3.21Å; D2053-K2056 WeakPolarHBondContact OD1-CD 3.42Å; D2053-K2056 IonicContact OD1-NZ 3.97Å; D2053-K2056 PolarHBondContact OD1-NZ 3.34Å; D2053-M2057 WeakPolarHBondContact O-CG 3.24Å; D2053-M2057 PolarHBondContact O-N 2.88Å
2054	M	91.7	Very high	89.1	Confident	130 Å²	130	64 Å²	64	64%	0.64	32%	0.32	S	S	*	.	H	α-helix	trans	-58.8	-45.2	168.2	-73.8	-165.5	-68	0	0	112.1	A2050 Q2051 M2057 E2058	A2050-M2054 WeakPolarHBondContact O-CG 3.47Å; A2050-M2054 PolarHBondContact O-N 2.85Å; Q2051-M2054 PolarHBondContact O-N 2.86Å; M2054-M2057 PolarHBondContact O-N 3.01Å; M2054-E2058 WeakPolarHBondContact O-CB 3.15Å; M2054-E2058 PolarHBondContact O-N 3.09Å
2055	L	93.5	Very high	88.9	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-71.1	-31.4	179.1	-69.6	170.1	0	0	0	112.9	Q2051 Q2052 D2053 E2058 L2059 T2098 L2101 R2102 V2105	Q2051-L2055 HydrophobicContact CG-CD1 3.91Å; Q2051-L2055 HydrophobicContact CG-CG 4.38Å; Q2051-L2055 WeakPolarHBondContact O-CB 3.34Å; Q2051-L2055 VanDerWaalsContact O-CG 3.24Å; Q2051-L2055 WeakPolarHBondContact O-CG 3.37Å; Q2051-L2055 PolarHBondContact O-N 3.39Å; Q2052-L2055 CarbonylContact O-C 3.54Å; Q2052-L2055 PolarHBondContact O-N 3.46Å; Q2052-L2055 VanDerWaalsContact O-N 3.17Å; D2053-L2055 PolarHBondContact O-N 2.91Å; L2055-E2058 PolarHBondContact O-N 2.85Å; L2055-L2059 VanDerWaalsContact O-CB 3.3Å; L2055-L2059 WeakPolarHBondContact O-CB 3.48Å; L2055-L2059 PolarHBondContact O-N 3.28Å; L2055-T2098 HydrophobicContact CD1-CG2 3.99Å; L2055-L2101 HydrophobicContact CB-CD2 3.54Å; L2055-L2101 HydrophobicContact CB-CG 3.72Å; L2055-L2101 HydrophobicContact CD1-CD2 4.5Å; L2055-L2101 HydrophobicContact CD1-CG 4.47Å; L2055-R2102 HydrophobicContact CD1-CB 3.83Å; L2055-R2102 HydrophobicContact CD1-CG 4.3Å; L2055-R2102 HydrophobicContact CD2-CB 4.39Å; L2055-R2102 HydrophobicContact CD2-CG 4.23Å; L2055-V2105 HydrophobicContact CB-CG2 4.27Å; L2055-V2105 HydrophobicContact CD2-CB 4.45Å; L2055-V2105 HydrophobicContact CD2-CG1 4.44Å; L2055-V2105 HydrophobicContact CD2-CG2 4.22Å; L2055-V2105 VanDerWaalsContact O-CG2 3.27Å; L2055-V2105 WeakPolarHBondContact O-CG2 3.42Å
2056	K	89.3	Confident	88.7	Confident	61 Å²	61	68.8 Å²	68.8	27%	0.265	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-44.7	170.9	-72.8	167.6	-160.5	156.2	0	110	Q2052 D2053 L2059 M2060 F2075 L2101	Q2052-K2056 WeakPolarHBondContact O-CB 3.36Å; Q2052-K2056 VanDerWaalsContact O-CG 3.27Å; Q2052-K2056 WeakPolarHBondContact O-CG 3.3Å; Q2052-K2056 PolarHBondContact O-N 2.78Å; D2053-K2056 PolarHBondContact O-N 3.21Å; D2053-K2056 WeakPolarHBondContact OD1-CD 3.42Å; D2053-K2056 IonicContact OD1-NZ 3.97Å; D2053-K2056 PolarHBondContact OD1-NZ 3.34Å; K2056-L2059 PolarHBondContact O-N 3.3Å; K2056-M2060 WeakPolarHBondContact O-CB 3.41Å; K2056-M2060 PolarHBondContact O-N 2.96Å; K2056-F2075 HydrophobicContact CG-CD1 4.41Å; K2056-L2101 HydrophobicContact CG-CD2 3.89Å
2057	M	90.5	Very high	88.4	Confident	103 Å²	103	68.3 Å²	68.3	51%	0.507	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-38.9	175	-69.2	-58.1	103.7	0	0	112.4	D2053 M2054 M2060 T2061	D2053-M2057 WeakPolarHBondContact O-CG 3.24Å; D2053-M2057 PolarHBondContact O-N 2.88Å; M2054-M2057 PolarHBondContact O-N 3.01Å; M2057-M2060 HydrophobicContact CE-CE 3.74Å; M2057-M2060 PolarHBondContact O-N 3.45Å; M2057-M2060 HydrophobicContact SD-CE 3.57Å; M2057-M2060 VanDerWaalsContact SD-CE 3.57Å; M2057-T2061 WeakPolarHBondContact O-CB 3.27Å; M2057-T2061 PolarHBondContact O-N 3.21Å; M2057-T2061 PolarHBondContact O-OG1 3.15Å
2058	E	90.4	Very high	87.8	Confident	81 Å²	81	66.5 Å²	66.5	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-70	-37.6	176.1	-163.6	171.9	-145.7	0	0	111.9	M2054 L2055 T2061 A2062 V2105 K2109	M2054-E2058 WeakPolarHBondContact O-CB 3.15Å; M2054-E2058 PolarHBondContact O-N 3.09Å; L2055-E2058 PolarHBondContact O-N 2.85Å; E2058-T2061 PolarHBondContact O-N 3.03Å; E2058-A2062 WeakPolarHBondContact O-CB 3.48Å; E2058-A2062 PolarHBondContact O-N 3.23Å; E2058-V2105 HydrophobicContact CB-CG1 4.12Å; E2058-V2105 HydrophobicContact CG-CG1 3.83Å; E2058-V2105 VanDerWaalsContact OE2-CG1 3.3Å; E2058-V2105 WeakPolarHBondContact OE2-CG1 3.35Å; E2058-K2109 VanDerWaalsContact CD-NZ 3.25Å; E2058-K2109 WeakPolarHBondContact OE1-CE 3.39Å; E2058-K2109 IonicContact OE1-NZ 2.67Å; E2058-K2109 PolarHBondContact OE1-NZ 3.09Å; E2058-K2109 WeakPolarHBondContact OE2-CE 3.27Å; E2058-K2109 IonicContact OE2-NZ 3.96Å; E2058-K2109 PolarHBondContact OE2-NZ 3.38Å
2059	L	89.4	Confident	87.2	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-46	172.3	-173.2	63.2	0	0	0	111.1	L2055 K2056 T2061 A2062 K2063 L2101 R2104 V2105 C2108	L2055-L2059 VanDerWaalsContact O-CB 3.3Å; L2055-L2059 WeakPolarHBondContact O-CB 3.48Å; L2055-L2059 PolarHBondContact O-N 3.28Å; K2056-L2059 PolarHBondContact O-N 3.3Å; L2059-T2061 VanDerWaalsContact C-N 3.34Å; L2059-T2061 PolarHBondContact O-N 2.8Å; L2059-A2062 PolarHBondContact O-N 2.7Å; L2059-K2063 WeakPolarHBondContact O-CG 3.45Å; L2059-K2063 PolarHBondContact O-N 2.6Å; L2059-L2101 HydrophobicContact CD2-CD1 3.86Å; L2059-R2104 HydrophobicContact CD1-CB 4.45Å; L2059-V2105 HydrophobicContact CB-CG2 3.72Å; L2059-V2105 HydrophobicContact CD1-CG2 4.19Å; L2059-V2105 HydrophobicContact CG-CG2 4.5Å; L2059-C2108 HydrophobicContact CD1-CB 4.5Å
2060	M	85.8	Confident	86.3	Confident	78 Å²	78	67.3 Å²	67.3	38%	0.384	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-41	176.9	-176.6	171.7	59.8	0	0	111.5	K2056 M2057 A2062 K2063 D2064	K2056-M2060 WeakPolarHBondContact O-CB 3.41Å; K2056-M2060 PolarHBondContact O-N 2.96Å; M2057-M2060 HydrophobicContact CE-CE 3.74Å; M2057-M2060 PolarHBondContact O-N 3.45Å; M2057-M2060 HydrophobicContact SD-CE 3.57Å; M2057-M2060 VanDerWaalsContact SD-CE 3.57Å; M2060-A2062 VanDerWaalsContact C-N 3.3Å; M2060-A2062 PolarHBondContact O-N 3.05Å; M2060-K2063 PolarHBondContact O-N 3Å; M2060-D2064 WeakPolarHBondContact O-CB 3.43Å; M2060-D2064 PolarHBondContact O-N 3.43Å
2061	T	87.9	Confident	85.5	Confident	69 Å²	69	67.7 Å²	67.7	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-37	174	-58.6	0	0	0	0	111.6	M2057 E2058 L2059 R2065	M2057-T2061 WeakPolarHBondContact O-CB 3.27Å; M2057-T2061 PolarHBondContact O-N 3.21Å; M2057-T2061 PolarHBondContact O-OG1 3.15Å; E2058-T2061 PolarHBondContact O-N 3.03Å; L2059-T2061 VanDerWaalsContact C-N 3.34Å; L2059-T2061 PolarHBondContact O-N 2.8Å; T2061-R2065 WeakPolarHBondContact O-CG 3.17Å; T2061-R2065 PolarHBondContact O-N 3.47Å; T2061-R2065 VanDerWaalsContact O-N 3.12Å
2062	A	86.8	Confident	84.2	Confident	3 Å²	3	66.5 Å²	66.5	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-71.7	-41	177	0	0	0	0	0	112.2	E2058 L2059 M2060 R2065 L2066 C2108 I2112	E2058-A2062 WeakPolarHBondContact O-CB 3.48Å; E2058-A2062 PolarHBondContact O-N 3.23Å; L2059-A2062 PolarHBondContact O-N 2.7Å; M2060-A2062 VanDerWaalsContact C-N 3.3Å; M2060-A2062 PolarHBondContact O-N 3.05Å; A2062-R2065 PolarHBondContact O-N 3.39Å; A2062-L2066 WeakPolarHBondContact O-CB 3.35Å; A2062-L2066 VanDerWaalsContact O-CG 3.29Å; A2062-L2066 WeakPolarHBondContact O-CG 3.31Å; A2062-L2066 PolarHBondContact O-N 3.08Å; A2062-C2108 HydrophobicContact CB-CB 3.66Å; A2062-I2112 HydrophobicContact CB-CD1 3.81Å
2063	K	86.1	Confident	83	Confident	18 Å²	18	76.4 Å²	76.4	8%	0.078	38%	0.377	C	S	.	.	H	α-helix	trans	-58	-46.9	171.9	-73.4	-177.3	-178.7	-175	0	111.8	L2059 M2060 R2065 L2066 L2067 I2068 P2070 T2072 W2073	L2059-K2063 WeakPolarHBondContact O-CG 3.45Å; L2059-K2063 PolarHBondContact O-N 2.6Å; M2060-K2063 PolarHBondContact O-N 3Å; K2063-R2065 PolarHBondContact O-N 2.94Å; K2063-L2066 CarbonylContact O-C 3.53Å; K2063-L2066 WeakPolarHBondContact O-CA 3.44Å; K2063-L2066 PolarHBondContact O-N 3.31Å; K2063-L2067 PolarHBondContact O-N 3.15Å; K2063-I2068 HydrophobicContact CB-CB 4.38Å; K2063-I2068 HydrophobicContact CG-CG2 4.46Å; K2063-I2068 PolarHBondContact O-N 3.48Å; K2063-P2070 PolarHBondContact NZ-O 3.18Å; K2063-T2072 VanDerWaalsContact CE-O 3.28Å; K2063-T2072 WeakPolarHBondContact CE-O 3.46Å; K2063-T2072 PolarHBondContact NZ-O 2.96Å; K2063-W2073 PolarHBondContact NZ-O 3.36Å
2064	D	85.3	Confident	81.9	Confident	87 Å²	87	75.5 Å²	75.5	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-43.4	179.4	-168	74.6	0	0	0	111.5	M2060 L2066 L2067	M2060-D2064 WeakPolarHBondContact O-CB 3.43Å; M2060-D2064 PolarHBondContact O-N 3.43Å; D2064-L2066 VanDerWaalsContact C-N 3.28Å; D2064-L2066 PolarHBondContact O-N 2.93Å; D2064-L2067 PolarHBondContact O-N 2.94Å; D2064-L2067 VanDerWaalsContact O-N 3.08Å
2065	R	84.5	Confident	80.6	Confident	179 Å²	179	70.1 Å²	70.1	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-63.4	-28.6	172.4	-73.8	177.2	-177.4	-167.3	5.7	114.1	T2061 A2062 K2063 L2067 I2112	T2061-R2065 WeakPolarHBondContact O-CG 3.17Å; T2061-R2065 PolarHBondContact O-N 3.47Å; T2061-R2065 VanDerWaalsContact O-N 3.12Å; A2062-R2065 PolarHBondContact O-N 3.39Å; K2063-R2065 PolarHBondContact O-N 2.94Å; R2065-L2067 VanDerWaalsContact C-N 3.34Å; R2065-I2112 HydrophobicContact CB-CD1 3.7Å; R2065-I2112 HydrophobicContact CB-CG1 4.09Å; R2065-I2112 HydrophobicContact CG-CD1 4.48Å
2066	L	83.4	Confident	79.1	Confident	27 Å²	27	74.2 Å²	74.2	14%	0.141	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.7	175.2	-69.7	171.3	0	0	0	113.3	A2062 K2063 D2064 I2068 C2108 H2111 I2112 I2115	A2062-L2066 WeakPolarHBondContact O-CB 3.35Å; A2062-L2066 VanDerWaalsContact O-CG 3.29Å; A2062-L2066 WeakPolarHBondContact O-CG 3.31Å; A2062-L2066 PolarHBondContact O-N 3.08Å; K2063-L2066 CarbonylContact O-C 3.53Å; K2063-L2066 WeakPolarHBondContact O-CA 3.44Å; K2063-L2066 PolarHBondContact O-N 3.31Å; D2064-L2066 VanDerWaalsContact C-N 3.28Å; D2064-L2066 PolarHBondContact O-N 2.93Å; L2066-I2068 HydrophobicContact CB-CB 4.44Å; L2066-I2068 HydrophobicContact CB-CD1 3.7Å; L2066-I2068 HydrophobicContact CB-CG1 3.79Å; L2066-I2068 HydrophobicContact CD1-CD1 3.79Å; L2066-I2068 HydrophobicContact CG-CD1 4.36Å; L2066-I2068 PolarHBondContact O-N 3.17Å; L2066-C2108 HydrophobicContact CD1-CB 4.07Å; L2066-H2111 HydrophobicContact CD1-CB 4.38Å; L2066-H2111 HydrophobicContact CD2-CB 4.16Å; L2066-I2112 HydrophobicContact CD1-CG1 4.21Å; L2066-I2112 HydrophobicContact CD2-CB 4.4Å; L2066-I2112 HydrophobicContact CD2-CG1 3.53Å; L2066-I2112 HydrophobicContact CG-CD1 4.25Å; L2066-I2112 HydrophobicContact CG-CG1 3.56Å; L2066-I2115 HydrophobicContact CD2-CD1 3.58Å
2067	L	83.7	Confident	77.7	Confident	165 Å²	165	75.2 Å²	75.2	86%	0.864	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.9	-170.4	-56.4	173.9	0	0	0	113.6	K2063 D2064 R2065	K2063-L2067 PolarHBondContact O-N 3.15Å; D2064-L2067 PolarHBondContact O-N 2.94Å; D2064-L2067 VanDerWaalsContact O-N 3.08Å; R2065-L2067 VanDerWaalsContact C-N 3.34Å
2068	I	78.5	Confident	76.4	Confident	66 Å²	66	75.7 Å²	75.7	34%	0.338	38%	0.377	S	S	.	.			trans	-81.2	139.5	171.3	-64.3	171.1	0	0	0	107.8	K2063 L2066 P2070 T2072	K2063-I2068 HydrophobicContact CB-CB 4.38Å; K2063-I2068 HydrophobicContact CG-CG2 4.46Å; K2063-I2068 PolarHBondContact O-N 3.48Å; L2066-I2068 HydrophobicContact CB-CB 4.44Å; L2066-I2068 HydrophobicContact CB-CD1 3.7Å; L2066-I2068 HydrophobicContact CB-CG1 3.79Å; L2066-I2068 HydrophobicContact CD1-CD1 3.79Å; L2066-I2068 HydrophobicContact CG-CD1 4.36Å; L2066-I2068 PolarHBondContact O-N 3.17Å; I2068-P2070 WeakPolarHBondContact O-CD 3.37Å; I2068-T2072 HydrophobicContact CG2-CG2 4.17Å
2069	D	77.8	Confident	75.2	Confident	43 Å²	43	72.6 Å²	72.6	23%	0.23	36%	0.363	C	S	.	.			trans	-61.4	128.6	176.4	-165.3	-41.3	0	0	0	110	T1726 S2071 T2072	T1726-D2069 WeakPolarHBondContact CB-OD2 3.31Å; T1726-D2069 WeakPolarHBondContact CG2-OD1 3.3Å; T1726-D2069 WeakPolarHBondContact CG2-OD2 3.47Å; T1726-D2069 PolarHBondContact OG1-OD2 2.87Å; D2069-S2071 PolarHBondContact O-N 3.41Å; D2069-S2071 VanDerWaalsContact O-N 3.09Å; D2069-S2071 PolarHBondContact OD1-N 3.34Å; D2069-S2071 PolarHBondContact OD1-OG 3.37Å; D2069-T2072 VanDerWaalsContact O-CB 3.27Å; D2069-T2072 WeakPolarHBondContact O-CB 3.37Å; D2069-T2072 PolarHBondContact O-N 2.57Å; D2069-T2072 PolarHBondContact O-OG1 3.35Å
2070	P	69.4	Low	74	Confident	55 Å²	55	75.1 Å²	75.1	36%	0.357	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-34.1	169.7	-31.1	37.2	0	0	0	114.7	K2063 I2068 T2072	K2063-P2070 PolarHBondContact NZ-O 3.18Å; I2068-P2070 WeakPolarHBondContact O-CD 3.37Å; P2070-T2072 PolarHBondContact O-N 3.02Å
2071	S	71.3	Confident	73	Confident	52 Å²	52	78.7 Å²	78.7	36%	0.364	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.4	176.1	75.8	0	0	0	0	113.8	E1725 D2069 W2073	E1725-S2071 PolarHBondContact OE1-OG 2.99Å; D2069-S2071 PolarHBondContact O-N 3.41Å; D2069-S2071 VanDerWaalsContact O-N 3.09Å; D2069-S2071 PolarHBondContact OD1-N 3.34Å; D2069-S2071 PolarHBondContact OD1-OG 3.37Å; S2071-W2073 PolarHBondContact O-N 3.09Å
2072	T	64.6	Low	72.1	Confident	54 Å²	54	82.8 Å²	82.8	33%	0.331	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	97.1	-175.2	-53.3	0	0	0	0	109.5	K2063 I2068 D2069 P2070	K2063-T2072 VanDerWaalsContact CE-O 3.28Å; K2063-T2072 WeakPolarHBondContact CE-O 3.46Å; K2063-T2072 PolarHBondContact NZ-O 2.96Å; I2068-T2072 HydrophobicContact CG2-CG2 4.17Å; D2069-T2072 VanDerWaalsContact O-CB 3.27Å; D2069-T2072 WeakPolarHBondContact O-CB 3.37Å; D2069-T2072 PolarHBondContact O-N 2.57Å; D2069-T2072 PolarHBondContact O-OG1 3.35Å; P2070-T2072 PolarHBondContact O-N 3.02Å
2073	W	65.7	Low	71.6	Confident	218 Å²	218	85.7 Å²	85.7	83%	0.826	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	88.6	-172.6	-44.6	-42.9	0	0	0	112.9	K2063 S2071	K2063-W2073 PolarHBondContact NZ-O 3.36Å; S2071-W2073 PolarHBondContact O-N 3.09Å
2074	S	64.7	Low	71.1	Confident	66 Å²	66	89.7 Å²	89.7	46%	0.462	45%	0.452	S	S	.	.			trans	-62.7	167.6	164	58.1	0	0	0	0	111.4	D2076	S2074-D2076 WeakPolarHBondContact CB-OD2 3.48Å; S2074-D2076 PolarHBondContact OG-OD2 2.64Å
2075	F	64.7	Low	70.6	Confident	16 Å²	16	88.5 Å²	88.5	7%	0.07	45%	0.45	C	S	.	.			trans	-121.2	75.7	172	-173.9	-90.3	0	0	0	107.2	K2056 L2077 E2097 I2100 L2101	K2056-F2075 HydrophobicContact CG-CD1 4.41Å; F2075-L2077 HydrophobicContact CD2-CD1 4.22Å; F2075-L2077 HydrophobicContact CE1-CD1 4.16Å; F2075-L2077 HydrophobicContact CE2-CD1 3.56Å; F2075-L2077 HydrophobicContact CZ-CD1 3.52Å; F2075-E2097 HydrophobicContact CZ-CB 4.42Å; F2075-I2100 HydrophobicContact CE2-CG2 4.45Å; F2075-L2101 HydrophobicContact CB-CD1 4.16Å; F2075-L2101 HydrophobicContact CD1-CB 4.43Å; F2075-L2101 HydrophobicContact CD1-CD1 3.94Å; F2075-L2101 HydrophobicContact CD1-CD2 3.89Å; F2075-L2101 HydrophobicContact CD1-CG 4.29Å; F2075-L2101 HydrophobicContact CD2-CB 4.34Å; F2075-L2101 HydrophobicContact CD2-CD1 3.91Å; F2075-L2101 HydrophobicContact CE1-CB 3.95Å; F2075-L2101 HydrophobicContact CE1-CD1 4.33Å; F2075-L2101 HydrophobicContact CE1-CD2 3.8Å; F2075-L2101 HydrophobicContact CE1-CG 4.23Å; F2075-L2101 HydrophobicContact CE2-CB 3.81Å; F2075-L2101 HydrophobicContact CE2-CD1 4.27Å; F2075-L2101 HydrophobicContact CG-CD1 3.74Å; F2075-L2101 HydrophobicContact CG-CG 4.5Å; F2075-L2101 HydrophobicContact CZ-CB 3.6Å; F2075-L2101 HydrophobicContact CZ-CD1 4.47Å; F2075-L2101 HydrophobicContact CZ-CD2 4.34Å; F2075-L2101 HydrophobicContact CZ-CG 4.33Å
2076	D	61.6	Low	70.1	Confident	103 Å²	103	83 Å²	83	55%	0.551	43%	0.434	S	S	*	.			trans	-108.6	109.2	174.5	-44.2	-50.1	0	0	0	105.6	S2074	S2074-D2076 WeakPolarHBondContact CB-OD2 3.48Å; S2074-D2076 PolarHBondContact OG-OD2 2.64Å
2077	L	59.3	Low	69.9	Low	81 Å²	81	85.1 Å²	85.1	42%	0.424	45%	0.445	S	S	.	.			trans	-131.4	141.6	179.4	-83.8	165.8	0	0	0	109	F2075 E2097	F2075-L2077 HydrophobicContact CD2-CD1 4.22Å; F2075-L2077 HydrophobicContact CE1-CD1 4.16Å; F2075-L2077 HydrophobicContact CE2-CD1 3.56Å; F2075-L2077 HydrophobicContact CZ-CD1 3.52Å; L2077-E2097 WeakPolarHBondContact CB-OE2 3.39Å; L2077-E2097 HydrophobicContact CD1-CG 4.21Å
2078	Y	63.8	Low	69.5	Low	114 Å²	114	81.6 Å²	81.6	45%	0.447	43%	0.432	S	S	.	.			trans	-114.4	26.1	-154.2	-69.9	-70.6	0	0	0	112.9	A2080 E2081 Q2082	Y2078-A2080 PolarHBondContact O-N 3.44Å; Y2078-E2081 HydrophobicContact CD1-CB 4.37Å; Y2078-E2081 VanDerWaalsContact CD1-CD 3.41Å; Y2078-E2081 HydrophobicContact CD1-CG 4.18Å; Y2078-E2081 WeakPolarHBondContact CD1-OE2 3.34Å; Y2078-E2081 CarbonylContact O-C 3.58Å; Y2078-E2081 PolarHBondContact O-N 3.11Å; Y2078-Q2082 WeakPolarHBondContact O-CB 3.4Å; Y2078-Q2082 WeakPolarHBondContact O-CG 3.46Å; Y2078-Q2082 PolarHBondContact O-N 2.74Å
2079	V	64.6	Low	69.6	Low	16 Å²	16	80.7 Å²	80.7	10%	0.097	43%	0.432	C	S	.	.	H	α-helix	trans	-54.4	-41	175	169.5	0	0	0	0	111	E2081 Q2082 M2083 F2090 A2093 E2097	V2079-E2081 PolarHBondContact O-N 2.72Å; V2079-Q2082 PolarHBondContact O-N 3.28Å; V2079-M2083 HydrophobicContact CG1-SD 4.27Å; V2079-M2083 PolarHBondContact O-N 2.58Å; V2079-F2090 HydrophobicContact CG1-CD2 3.92Å; V2079-F2090 HydrophobicContact CG1-CE2 3.82Å; V2079-F2090 HydrophobicContact CG1-CG 4.43Å; V2079-F2090 HydrophobicContact CG1-CZ 4.24Å; V2079-A2093 HydrophobicContact CG1-CB 4.06Å; V2079-A2093 HydrophobicContact CG2-CB 4.18Å; V2079-E2097 VanDerWaalsContact CG2-CD 3.43Å; V2079-E2097 HydrophobicContact CG2-CG 4.42Å; V2079-E2097 WeakPolarHBondContact CG2-OE1 3.35Å; V2079-E2097 WeakPolarHBondContact CG2-OE2 3.32Å
2080	A	64.3	Low	70	Confident	68 Å²	68	78.9 Å²	78.9	56%	0.562	42%	0.422	S	S	*	.	H	α-helix	trans	-66	-13.9	174.9	0	0	0	0	0	115.5	Y2078 F2090	Y2078-A2080 PolarHBondContact O-N 3.44Å; A2080-F2090 HydrophobicContact CB-CZ 4.39Å
2081	E	66	Low	70.8	Confident	153 Å²	153	77.1 Å²	77.1	72%	0.715	41%	0.409	S	S	*	.	H	α-helix	trans	-109.9	-13.4	176.8	-67	-178.6	-158.5	0	0	112.9	Y2078 V2079	Y2078-E2081 HydrophobicContact CD1-CB 4.37Å; Y2078-E2081 VanDerWaalsContact CD1-CD 3.41Å; Y2078-E2081 HydrophobicContact CD1-CG 4.18Å; Y2078-E2081 WeakPolarHBondContact CD1-OE2 3.34Å; Y2078-E2081 CarbonylContact O-C 3.58Å; Y2078-E2081 PolarHBondContact O-N 3.11Å; V2079-E2081 PolarHBondContact O-N 2.72Å
2082	Q	67.3	Low	71.4	Confident	155 Å²	155	79.7 Å²	79.7	72%	0.724	42%	0.415	S	S	*	.	H	α-helix	trans	-115.5	-12	-173	-65.2	-179.9	14.8	0	0	113.8	Y2078 V2079	Y2078-Q2082 WeakPolarHBondContact O-CB 3.4Å; Y2078-Q2082 WeakPolarHBondContact O-CG 3.46Å; Y2078-Q2082 PolarHBondContact O-N 2.74Å; V2079-Q2082 PolarHBondContact O-N 3.28Å
2083	M	76.5	Confident	72.5	Confident	63 Å²	63	78.2 Å²	78.2	31%	0.31	41%	0.409	S	S	.	.	S	Bend	trans	-135.4	148.9	179.4	-67.7	177.5	63.9	0	0	111	V2079 S2089 F2090 A2093	V2079-M2083 HydrophobicContact CG1-SD 4.27Å; V2079-M2083 PolarHBondContact O-N 2.58Å; M2083-S2089 WeakPolarHBondContact CE-OG 3.35Å; M2083-F2090 HydrophobicContact CB-CD2 3.79Å; M2083-F2090 HydrophobicContact CB-CE2 4.43Å; M2083-F2090 HydrophobicContact CE-CB 4.49Å; M2083-A2093 HydrophobicContact CE-CB 4.49Å; M2083-A2093 HydrophobicContact SD-CB 4.18Å
2084	D	76	Confident	73.6	Confident	102 Å²	102	68.1 Å²	68.1	55%	0.545	37%	0.371	S	S	.	.			trans	-74.4	125.4	175.9	-170.2	-24.9	0	0	0	110.4	D2086 D2087 F2090	D2084-D2086 PolarHBondContact O-N 2.62Å; D2084-D2086 VanDerWaalsContact O-N 3.12Å; D2084-D2086 WeakPolarHBondContact OD1-CB 3.16Å; D2084-D2086 PolarHBondContact OD1-N 3.1Å; D2084-D2087 WeakPolarHBondContact O-CB 3.29Å; D2084-D2087 PolarHBondContact O-N 2.63Å; D2084-F2090 WeakPolarHBondContact O-CB 3.2Å
2085	P	75.6	Confident	74.8	Confident	63 Å²	63	68.4 Å²	68.4	41%	0.409	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.1	175.4	-26.8	36.3	0	0	0	115.4	F2090	P2085-F2090 HydrophobicContact CB-CE1 4.47Å; P2085-F2090 HydrophobicContact CB-CE2 4.45Å; P2085-F2090 HydrophobicContact CB-CZ 4.4Å; P2085-F2090 HydrophobicContact CG-CE2 4.08Å; P2085-F2090 HydrophobicContact CG-CZ 4.2Å
2086	D	72.5	Confident	75.9	Confident	63 Å²	63	73.2 Å²	73.2	34%	0.337	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.6	176.4	-91.3	33	0	0	0	113.4	R2038 R2041 Y2042 D2084	R2038-D2086 IonicContact CZ-OD2 3.91Å; R2038-D2086 IonicContact NH1-OD1 3.16Å; R2038-D2086 IonicContact NH1-OD2 3.83Å; R2038-D2086 PolarHBondContact NH1-OD2 2.9Å; R2041-D2086 PolarHBondContact NH1-O 2.94Å; Y2042-D2086 WeakPolarHBondContact CE1-OD1 3.33Å; Y2042-D2086 PolarHBondContact OH-OD1 3.33Å; Y2042-D2086 PolarHBondContact OH-OD2 3.45Å; D2084-D2086 PolarHBondContact O-N 2.62Å; D2084-D2086 VanDerWaalsContact O-N 3.12Å; D2084-D2086 WeakPolarHBondContact OD1-CB 3.16Å; D2084-D2086 PolarHBondContact OD1-N 3.1Å
2087	D	79.5	Confident	77.1	Confident	72 Å²	72	69.8 Å²	69.8	39%	0.385	37%	0.367	S	S	.	.	S	Bend	trans	-69	127.2	178.9	-168.8	-49.1	0	0	0	110.5	D2084 S2089 F2090	D2084-D2087 WeakPolarHBondContact O-CB 3.29Å; D2084-D2087 PolarHBondContact O-N 2.63Å; D2087-S2089 VanDerWaalsContact CG-OG 3.23Å; D2087-S2089 PolarHBondContact O-N 2.96Å; D2087-S2089 VanDerWaalsContact O-N 3.09Å; D2087-S2089 VanDerWaalsContact OD1-CB 3.31Å; D2087-S2089 WeakPolarHBondContact OD1-CB 3.43Å; D2087-S2089 PolarHBondContact OD1-N 3.39Å; D2087-S2089 PolarHBondContact OD1-OG 2.89Å; D2087-F2090 WeakPolarHBondContact O-CB 3.34Å; D2087-F2090 PolarHBondContact O-N 2.79Å
2088	P	76	Confident	78.6	Confident	90 Å²	90	66 Å²	66	58%	0.584	35%	0.347	S	S	*	.	H	α-helix	trans	-53.6	-29.3	176	-27.1	35.6	0	0	0	114.7	F2090	P2088-F2090 VanDerWaalsContact C-N 3.35Å
2089	S	80.9	Confident	80	Confident	48 Å²	48	63.4 Å²	63.4	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-76.1	-18	178.2	68.1	0	0	0	0	113.9	M2083 D2087 L2091 E2092 A2093	M2083-S2089 WeakPolarHBondContact CE-OG 3.35Å; D2087-S2089 VanDerWaalsContact CG-OG 3.23Å; D2087-S2089 PolarHBondContact O-N 2.96Å; D2087-S2089 VanDerWaalsContact O-N 3.09Å; D2087-S2089 VanDerWaalsContact OD1-CB 3.31Å; D2087-S2089 WeakPolarHBondContact OD1-CB 3.43Å; D2087-S2089 PolarHBondContact OD1-N 3.39Å; D2087-S2089 PolarHBondContact OD1-OG 2.89Å; S2089-L2091 VanDerWaalsContact C-N 3.33Å; S2089-L2091 PolarHBondContact O-N 3.3Å; S2089-E2092 PolarHBondContact O-N 3.48Å; S2089-A2093 WeakPolarHBondContact O-CB 3.2Å; S2089-A2093 PolarHBondContact O-N 3.47Å
2090	F	86.1	Confident	81.1	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-57.7	-47.8	173.9	-176.5	-85.8	0	0	0	111.2	T2045 V2079 A2080 M2083 D2084 P2085 D2087 P2088 E2092 A2093 L2094	T2045-F2090 HydrophobicContact CG2-CD1 4.46Å; T2045-F2090 HydrophobicContact CG2-CE1 3.88Å; V2079-F2090 HydrophobicContact CG1-CD2 3.92Å; V2079-F2090 HydrophobicContact CG1-CE2 3.82Å; V2079-F2090 HydrophobicContact CG1-CG 4.43Å; V2079-F2090 HydrophobicContact CG1-CZ 4.24Å; A2080-F2090 HydrophobicContact CB-CZ 4.39Å; M2083-F2090 HydrophobicContact CB-CD2 3.79Å; M2083-F2090 HydrophobicContact CB-CE2 4.43Å; M2083-F2090 HydrophobicContact CE-CB 4.49Å; D2084-F2090 WeakPolarHBondContact O-CB 3.2Å; P2085-F2090 HydrophobicContact CB-CE1 4.47Å; P2085-F2090 HydrophobicContact CB-CE2 4.45Å; P2085-F2090 HydrophobicContact CB-CZ 4.4Å; P2085-F2090 HydrophobicContact CG-CE2 4.08Å; P2085-F2090 HydrophobicContact CG-CZ 4.2Å; D2087-F2090 WeakPolarHBondContact O-CB 3.34Å; D2087-F2090 PolarHBondContact O-N 2.79Å; P2088-F2090 VanDerWaalsContact C-N 3.35Å; F2090-E2092 PolarHBondContact O-N 2.82Å; F2090-A2093 PolarHBondContact O-N 3.49Å; F2090-L2094 HydrophobicContact CE1-CD2 4.21Å; F2090-L2094 VanDerWaalsContact O-CB 3.31Å; F2090-L2094 WeakPolarHBondContact O-CB 3.19Å; F2090-L2094 PolarHBondContact O-N 3.46Å
2091	L	85.7	Confident	82.3	Confident	19 Å²	19	63.2 Å²	63.2	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-40.7	-179.6	-177.4	61.3	0	0	0	111.4	R2041 K2044 L2048 S2089 L2094 E2095	R2041-L2091 HydrophobicContact CB-CD2 4.15Å; R2041-L2091 HydrophobicContact CG-CD2 3.73Å; K2044-L2091 HydrophobicContact CB-CD1 4.04Å; K2044-L2091 HydrophobicContact CB-CD2 4.41Å; K2044-L2091 HydrophobicContact CD-CD1 4.15Å; K2044-L2091 HydrophobicContact CD-CD2 4.09Å; K2044-L2091 HydrophobicContact CD-CG 4.45Å; K2044-L2091 HydrophobicContact CG-CD1 4.13Å; L2048-L2091 HydrophobicContact CD1-CD1 3.47Å; L2048-L2091 VanDerWaalsContact CD1-CD1 3.47Å; S2089-L2091 VanDerWaalsContact C-N 3.33Å; S2089-L2091 PolarHBondContact O-N 3.3Å; L2091-L2094 PolarHBondContact O-N 3.01Å; L2091-E2095 WeakPolarHBondContact O-CG 3.44Å; L2091-E2095 PolarHBondContact O-N 2.72Å
2092	E	84.8	Confident	83.6	Confident	105 Å²	105	60.9 Å²	60.9	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-39.9	176.9	-163.4	-165.4	141.2	0	0	112.4	S2089 F2090 K2096	S2089-E2092 PolarHBondContact O-N 3.48Å; F2090-E2092 PolarHBondContact O-N 2.82Å; E2092-K2096 HydrophobicContact CG-CD 4.45Å; E2092-K2096 WeakPolarHBondContact O-CB 3.49Å; E2092-K2096 WeakPolarHBondContact O-CG 3.21Å; E2092-K2096 PolarHBondContact O-N 3.14Å; E2092-K2096 VanDerWaalsContact O-N 3.1Å; E2092-K2096 WeakPolarHBondContact OE1-CE 3.37Å; E2092-K2096 IonicContact OE1-NZ 3.8Å; E2092-K2096 PolarHBondContact OE1-NZ 3.25Å
2093	A	87.2	Confident	84.7	Confident	24 Å²	24	59.6 Å²	59.6	20%	0.198	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-47.1	173.5	0	0	0	0	0	111.1	V2079 M2083 S2089 F2090 E2095 K2096 E2097	V2079-A2093 HydrophobicContact CG1-CB 4.06Å; V2079-A2093 HydrophobicContact CG2-CB 4.18Å; M2083-A2093 HydrophobicContact CE-CB 4.49Å; M2083-A2093 HydrophobicContact SD-CB 4.18Å; S2089-A2093 WeakPolarHBondContact O-CB 3.2Å; S2089-A2093 PolarHBondContact O-N 3.47Å; F2090-A2093 PolarHBondContact O-N 3.49Å; A2093-E2095 PolarHBondContact O-N 2.74Å; A2093-K2096 PolarHBondContact O-N 3.32Å; A2093-E2097 PolarHBondContact O-N 2.98Å
2094	L	88.3	Confident	85.2	Confident	5 Å²	5	62 Å²	62	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-41.4	178.6	-169.9	72.2	0	0	0	112.2	T2045 L2048 L2049 F2090 L2091 E2097 T2098	T2045-L2094 HydrophobicContact CG2-CD2 4.15Å; L2048-L2094 HydrophobicContact CB-CD2 3.57Å; L2048-L2094 HydrophobicContact CB-CG 3.98Å; L2048-L2094 HydrophobicContact CD1-CD2 4.16Å; L2048-L2094 HydrophobicContact CD1-CG 4.47Å; L2049-L2094 HydrophobicContact CD2-CD1 3.96Å; L2049-L2094 HydrophobicContact CD2-CD2 4.47Å; L2049-L2094 HydrophobicContact CG-CD2 4.19Å; F2090-L2094 HydrophobicContact CE1-CD2 4.21Å; F2090-L2094 VanDerWaalsContact O-CB 3.31Å; F2090-L2094 WeakPolarHBondContact O-CB 3.19Å; F2090-L2094 PolarHBondContact O-N 3.46Å; L2091-L2094 PolarHBondContact O-N 3.01Å; L2094-E2097 PolarHBondContact O-N 2.61Å; L2094-T2098 WeakPolarHBondContact O-CB 3.33Å; L2094-T2098 PolarHBondContact O-N 3.39Å; L2094-T2098 PolarHBondContact O-OG1 2.99Å
2095	E	90.4	Very high	85.9	Confident	73 Å²	73	57.1 Å²	57.1	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-48.3	172.3	-77.4	-179.3	-142.4	0	0	111.6	K2044 L2048 L2091 A2093 E2097 T2098 E2099	K2044-E2095 VanDerWaalsContact CE-OE1 3.25Å; K2044-E2095 WeakPolarHBondContact CE-OE1 3.35Å; K2044-E2095 VanDerWaalsContact NZ-CD 3.33Å; K2044-E2095 IonicContact NZ-OE1 2.67Å; K2044-E2095 PolarHBondContact NZ-OE1 2.87Å; K2044-E2095 IonicContact NZ-OE2 3.37Å; K2044-E2095 PolarHBondContact NZ-OE2 3.48Å; L2048-E2095 HydrophobicContact CD1-CG 3.4Å; L2048-E2095 VanDerWaalsContact CD1-CG 3.4Å; L2048-E2095 HydrophobicContact CD2-CG 4.01Å; L2048-E2095 HydrophobicContact CG-CG 4.36Å; L2091-E2095 WeakPolarHBondContact O-CG 3.44Å; L2091-E2095 PolarHBondContact O-N 2.72Å; A2093-E2095 PolarHBondContact O-N 2.74Å; E2095-E2097 PolarHBondContact O-N 3.48Å; E2095-T2098 PolarHBondContact O-N 2.75Å; E2095-E2099 WeakPolarHBondContact O-CB 3.43Å; E2095-E2099 PolarHBondContact O-N 2.9Å
2096	K	88.2	Confident	86.6	Confident	117 Å²	117	57 Å²	57	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-38.9	-180	-76.3	169.5	172.6	175.9	0	112.5	E2092 A2093 I2100	E2092-K2096 HydrophobicContact CG-CD 4.45Å; E2092-K2096 WeakPolarHBondContact O-CB 3.49Å; E2092-K2096 WeakPolarHBondContact O-CG 3.21Å; E2092-K2096 PolarHBondContact O-N 3.14Å; E2092-K2096 VanDerWaalsContact O-N 3.1Å; E2092-K2096 WeakPolarHBondContact OE1-CE 3.37Å; E2092-K2096 IonicContact OE1-NZ 3.8Å; E2092-K2096 PolarHBondContact OE1-NZ 3.25Å; A2093-K2096 PolarHBondContact O-N 3.32Å; K2096-I2100 WeakPolarHBondContact O-CD1 3.12Å; K2096-I2100 VanDerWaalsContact O-CG1 3.31Å; K2096-I2100 WeakPolarHBondContact O-CG1 3.48Å; K2096-I2100 PolarHBondContact O-N 3.46Å; K2096-I2100 VanDerWaalsContact O-N 3.15Å
2097	E	86	Confident	87.3	Confident	31 Å²	31	56.9 Å²	56.9	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-70.9	-43.4	175.7	-70.5	-165.4	154.8	0	0	112.9	F2075 L2077 V2079 A2093 L2094 E2095 E2099 I2100 L2101	F2075-E2097 HydrophobicContact CZ-CB 4.42Å; L2077-E2097 WeakPolarHBondContact CB-OE2 3.39Å; L2077-E2097 HydrophobicContact CD1-CG 4.21Å; V2079-E2097 VanDerWaalsContact CG2-CD 3.43Å; V2079-E2097 HydrophobicContact CG2-CG 4.42Å; V2079-E2097 WeakPolarHBondContact CG2-OE1 3.35Å; V2079-E2097 WeakPolarHBondContact CG2-OE2 3.32Å; A2093-E2097 PolarHBondContact O-N 2.98Å; L2094-E2097 PolarHBondContact O-N 2.61Å; E2095-E2097 PolarHBondContact O-N 3.48Å; E2097-E2099 PolarHBondContact O-N 3.09Å; E2097-I2100 PolarHBondContact O-N 3.31Å; E2097-I2100 VanDerWaalsContact O-N 3.08Å; E2097-L2101 PolarHBondContact O-N 2.89Å
2098	T	91.4	Very high	87.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-38.2	176.4	-51.6	0	0	0	0	110.9	L2048 Q2051 Q2052 L2055 L2094 E2095 L2101 R2102	L2048-T2098 HydrophobicContact CD2-CG2 4.24Å; Q2051-T2098 HydrophobicContact CB-CG2 4.23Å; Q2051-T2098 HydrophobicContact CG-CG2 3.85Å; Q2051-T2098 VanDerWaalsContact OE1-CG2 3.24Å; Q2052-T2098 HydrophobicContact CG-CG2 3.89Å; Q2052-T2098 WeakPolarHBondContact CG-OG1 3.29Å; Q2052-T2098 PolarHBondContact NE2-OG1 2.78Å; Q2052-T2098 VanDerWaalsContact NE2-OG1 3.14Å; L2055-T2098 HydrophobicContact CD1-CG2 3.99Å; L2094-T2098 WeakPolarHBondContact O-CB 3.33Å; L2094-T2098 PolarHBondContact O-N 3.39Å; L2094-T2098 PolarHBondContact O-OG1 2.99Å; E2095-T2098 PolarHBondContact O-N 2.75Å; T2098-L2101 PolarHBondContact O-N 3.43Å; T2098-R2102 WeakPolarHBondContact O-CB 3.31Å; T2098-R2102 PolarHBondContact O-N 2.95Å
2099	E	92.1	Very high	88.1	Confident	59 Å²	59	53.6 Å²	53.6	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-36.9	175	-176.6	57.1	-159.4	0	0	113.6	E2095 E2097 R2102 K2103	E2095-E2099 WeakPolarHBondContact O-CB 3.43Å; E2095-E2099 PolarHBondContact O-N 2.9Å; E2097-E2099 PolarHBondContact O-N 3.09Å; E2099-R2102 VanDerWaalsContact CD-NH2 3.3Å; E2099-R2102 IonicContact OE1-CZ 2.58Å; E2099-R2102 IonicContact OE1-NE 3.44Å; E2099-R2102 IonicContact OE1-NH2 2.7Å; E2099-R2102 PolarHBondContact OE1-NH2 3Å; E2099-R2102 IonicContact OE2-CZ 2.64Å; E2099-R2102 IonicContact OE2-NE 3.52Å; E2099-R2102 PolarHBondContact OE2-NE 3.5Å; E2099-R2102 IonicContact OE2-NH2 3.77Å; E2099-R2102 PolarHBondContact OE2-NH2 3.31Å; E2099-K2103 VanDerWaalsContact CG-NZ 3.32Å; E2099-K2103 WeakPolarHBondContact O-CG 3.3Å; E2099-K2103 PolarHBondContact O-N 3.23Å; E2099-K2103 VanDerWaalsContact O-N 3.07Å; E2099-K2103 IonicContact OE1-NZ 2.62Å; E2099-K2103 PolarHBondContact OE1-NZ 3Å
2100	I	88.7	Confident	88.5	Confident	80 Å²	80	54.4 Å²	54.4	41%	0.41	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-42.1	173.6	-71.1	163.8	0	0	0	110.4	F2075 K2096 E2097 R2104	F2075-I2100 HydrophobicContact CE2-CG2 4.45Å; K2096-I2100 WeakPolarHBondContact O-CD1 3.12Å; K2096-I2100 VanDerWaalsContact O-CG1 3.31Å; K2096-I2100 WeakPolarHBondContact O-CG1 3.48Å; K2096-I2100 PolarHBondContact O-N 3.46Å; K2096-I2100 VanDerWaalsContact O-N 3.15Å; E2097-I2100 PolarHBondContact O-N 3.31Å; E2097-I2100 VanDerWaalsContact O-N 3.08Å; I2100-R2104 WeakPolarHBondContact O-CG 3.44Å; I2100-R2104 PolarHBondContact O-N 3.3Å; I2100-R2104 VanDerWaalsContact O-N 3.15Å
2101	L	88.9	Confident	88.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-47.1	175.3	-179.6	57	0	0	0	111.5	Q2052 L2055 K2056 L2059 F2075 E2097 T2098 K2103 R2104 V2105	Q2052-L2101 HydrophobicContact CB-CD2 4.36Å; Q2052-L2101 WeakPolarHBondContact O-CD2 3.41Å; L2055-L2101 HydrophobicContact CB-CD2 3.54Å; L2055-L2101 HydrophobicContact CB-CG 3.72Å; L2055-L2101 HydrophobicContact CD1-CD2 4.5Å; L2055-L2101 HydrophobicContact CD1-CG 4.47Å; K2056-L2101 HydrophobicContact CG-CD2 3.89Å; L2059-L2101 HydrophobicContact CD2-CD1 3.86Å; F2075-L2101 HydrophobicContact CB-CD1 4.16Å; F2075-L2101 HydrophobicContact CD1-CB 4.43Å; F2075-L2101 HydrophobicContact CD1-CD1 3.94Å; F2075-L2101 HydrophobicContact CD1-CD2 3.89Å; F2075-L2101 HydrophobicContact CD1-CG 4.29Å; F2075-L2101 HydrophobicContact CD2-CB 4.34Å; F2075-L2101 HydrophobicContact CD2-CD1 3.91Å; F2075-L2101 HydrophobicContact CE1-CB 3.95Å; F2075-L2101 HydrophobicContact CE1-CD1 4.33Å; F2075-L2101 HydrophobicContact CE1-CD2 3.8Å; F2075-L2101 HydrophobicContact CE1-CG 4.23Å; F2075-L2101 HydrophobicContact CE2-CB 3.81Å; F2075-L2101 HydrophobicContact CE2-CD1 4.27Å; F2075-L2101 HydrophobicContact CG-CD1 3.74Å; F2075-L2101 HydrophobicContact CG-CG 4.5Å; F2075-L2101 HydrophobicContact CZ-CB 3.6Å; F2075-L2101 HydrophobicContact CZ-CD1 4.47Å; F2075-L2101 HydrophobicContact CZ-CD2 4.34Å; F2075-L2101 HydrophobicContact CZ-CG 4.33Å; E2097-L2101 PolarHBondContact O-N 2.89Å; T2098-L2101 PolarHBondContact O-N 3.43Å; L2101-K2103 PolarHBondContact O-N 2.95Å; L2101-R2104 WeakPolarHBondContact O-CB 3.41Å; L2101-R2104 PolarHBondContact O-N 2.97Å; L2101-R2104 VanDerWaalsContact O-N 3.07Å; L2101-V2105 HydrophobicContact CD1-CG2 4.46Å; L2101-V2105 WeakPolarHBondContact O-CG2 3.4Å; L2101-V2105 PolarHBondContact O-N 2.94Å
2102	R	93.4	Very high	88.2	Confident	105 Å²	105	59 Å²	59	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-48.1	177.6	-167.4	166.7	70.6	100	-13.5	112.1	L2055 T2098 E2099 R2104 V2105 D2106	L2055-R2102 HydrophobicContact CD1-CB 3.83Å; L2055-R2102 HydrophobicContact CD1-CG 4.3Å; L2055-R2102 HydrophobicContact CD2-CB 4.39Å; L2055-R2102 HydrophobicContact CD2-CG 4.23Å; T2098-R2102 WeakPolarHBondContact O-CB 3.31Å; T2098-R2102 PolarHBondContact O-N 2.95Å; E2099-R2102 VanDerWaalsContact CD-NH2 3.3Å; E2099-R2102 IonicContact OE1-CZ 2.58Å; E2099-R2102 IonicContact OE1-NE 3.44Å; E2099-R2102 IonicContact OE1-NH2 2.7Å; E2099-R2102 PolarHBondContact OE1-NH2 3Å; E2099-R2102 IonicContact OE2-CZ 2.64Å; E2099-R2102 IonicContact OE2-NE 3.52Å; E2099-R2102 PolarHBondContact OE2-NE 3.5Å; E2099-R2102 IonicContact OE2-NH2 3.77Å; E2099-R2102 PolarHBondContact OE2-NH2 3.31Å; R2102-R2104 VanDerWaalsContact C-N 3.31Å; R2102-R2104 PolarHBondContact O-N 3.41Å; R2102-V2105 WeakPolarHBondContact O-CB 3.5Å; R2102-V2105 PolarHBondContact O-N 3.48Å; R2102-D2106 PolarHBondContact O-N 3.14Å
2103	K	91.3	Very high	87.9	Confident	128 Å²	128	60 Å²	60	56%	0.557	30%	0.296	S	S	*	.	H	α-helix	trans	-59.6	-36.5	175	-74.3	-178.5	170.5	79.9	0	113.1	E2099 L2101 A2107	E2099-K2103 VanDerWaalsContact CG-NZ 3.32Å; E2099-K2103 WeakPolarHBondContact O-CG 3.3Å; E2099-K2103 PolarHBondContact O-N 3.23Å; E2099-K2103 VanDerWaalsContact O-N 3.07Å; E2099-K2103 IonicContact OE1-NZ 2.62Å; E2099-K2103 PolarHBondContact OE1-NZ 3Å; L2101-K2103 PolarHBondContact O-N 2.95Å; K2103-A2107 WeakPolarHBondContact O-CB 3.47Å; K2103-A2107 PolarHBondContact O-N 3.15Å; K2103-A2107 VanDerWaalsContact O-N 3.14Å
2104	R	86.3	Confident	87.5	Confident	113 Å²	113	64 Å²	64	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-43.4	174.8	-69.4	173.9	-174.4	-163.9	6.1	111.8	L2059 I2100 L2101 R2102 A2107 C2108	L2059-R2104 HydrophobicContact CD1-CB 4.45Å; I2100-R2104 WeakPolarHBondContact O-CG 3.44Å; I2100-R2104 PolarHBondContact O-N 3.3Å; I2100-R2104 VanDerWaalsContact O-N 3.15Å; L2101-R2104 WeakPolarHBondContact O-CB 3.41Å; L2101-R2104 PolarHBondContact O-N 2.97Å; L2101-R2104 VanDerWaalsContact O-N 3.07Å; R2102-R2104 VanDerWaalsContact C-N 3.31Å; R2102-R2104 PolarHBondContact O-N 3.41Å; R2104-A2107 PolarHBondContact O-N 2.91Å; R2104-C2108 PolarHBondContact O-N 3.32Å; R2104-C2108 VanDerWaalsContact O-N 3.09Å; R2104-C2108 PolarHBondContact O-SG 3.39Å
2105	V	91.1	Very high	86.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.6	-49.8	175.6	169.5	0	0	0	0	111	L2055 E2058 L2059 L2101 R2102 A2107 C2108 K2109	L2055-V2105 HydrophobicContact CB-CG2 4.27Å; L2055-V2105 HydrophobicContact CD2-CB 4.45Å; L2055-V2105 HydrophobicContact CD2-CG1 4.44Å; L2055-V2105 HydrophobicContact CD2-CG2 4.22Å; L2055-V2105 VanDerWaalsContact O-CG2 3.27Å; L2055-V2105 WeakPolarHBondContact O-CG2 3.42Å; E2058-V2105 HydrophobicContact CB-CG1 4.12Å; E2058-V2105 HydrophobicContact CG-CG1 3.83Å; E2058-V2105 VanDerWaalsContact OE2-CG1 3.3Å; E2058-V2105 WeakPolarHBondContact OE2-CG1 3.35Å; L2059-V2105 HydrophobicContact CB-CG2 3.72Å; L2059-V2105 HydrophobicContact CD1-CG2 4.19Å; L2059-V2105 HydrophobicContact CG-CG2 4.5Å; L2101-V2105 HydrophobicContact CD1-CG2 4.46Å; L2101-V2105 WeakPolarHBondContact O-CG2 3.4Å; L2101-V2105 PolarHBondContact O-N 2.94Å; R2102-V2105 WeakPolarHBondContact O-CB 3.5Å; R2102-V2105 PolarHBondContact O-N 3.48Å; V2105-A2107 VanDerWaalsContact C-N 3.34Å; V2105-A2107 PolarHBondContact O-N 2.8Å; V2105-C2108 WeakPolarHBondContact O-CB 3.5Å; V2105-C2108 PolarHBondContact O-N 3.46Å; V2105-C2108 VanDerWaalsContact O-N 3.13Å; V2105-K2109 HydrophobicContact CG1-CD 4.29Å; V2105-K2109 VanDerWaalsContact CG1-CE 3.46Å; V2105-K2109 HydrophobicContact CG1-CG 4.48Å; V2105-K2109 WeakPolarHBondContact O-CG 3.36Å; V2105-K2109 PolarHBondContact O-N 3.26Å
2106	D	89.9	Confident	85.6	Confident	60 Å²	60	67.5 Å²	67.5	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-70.6	-29.3	-176.3	-66.4	-25.7	0	0	0	112.9	R2102 K2109 S2110	R2102-D2106 PolarHBondContact O-N 3.14Å; D2106-K2109 WeakPolarHBondContact OD1-CD 2.89Å; D2106-K2109 IonicContact OD1-NZ 3.97Å; D2106-K2109 PolarHBondContact OD1-NZ 2.92Å; D2106-S2110 WeakPolarHBondContact O-CB 3.34Å; D2106-S2110 PolarHBondContact O-N 2.96Å; D2106-S2110 PolarHBondContact O-OG 2.91Å
2107	A	87	Confident	84.1	Confident	60 Å²	60	65.6 Å²	65.6	50%	0.496	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-44.4	168	0	0	0	0	0	111.9	K2103 R2104 V2105 S2110 H2111	K2103-A2107 WeakPolarHBondContact O-CB 3.47Å; K2103-A2107 PolarHBondContact O-N 3.15Å; K2103-A2107 VanDerWaalsContact O-N 3.14Å; R2104-A2107 PolarHBondContact O-N 2.91Å; V2105-A2107 VanDerWaalsContact C-N 3.34Å; V2105-A2107 PolarHBondContact O-N 2.8Å; A2107-S2110 PolarHBondContact O-N 2.78Å; A2107-H2111 PolarHBondContact O-N 2.88Å
2108	C	85	Confident	82.3	Confident	27 Å²	27	72.6 Å²	72.6	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-42.9	175.2	-68.8	0	0	0	0	112.1	L2059 A2062 L2066 R2104 V2105 S2110 H2111 I2112	L2059-C2108 HydrophobicContact CD1-CB 4.5Å; A2062-C2108 HydrophobicContact CB-CB 3.66Å; L2066-C2108 HydrophobicContact CD1-CB 4.07Å; R2104-C2108 PolarHBondContact O-N 3.32Å; R2104-C2108 VanDerWaalsContact O-N 3.09Å; R2104-C2108 PolarHBondContact O-SG 3.39Å; V2105-C2108 WeakPolarHBondContact O-CB 3.5Å; V2105-C2108 PolarHBondContact O-N 3.46Å; V2105-C2108 VanDerWaalsContact O-N 3.13Å; C2108-S2110 VanDerWaalsContact C-N 3.33Å; C2108-S2110 PolarHBondContact O-N 3.03Å; C2108-H2111 PolarHBondContact O-N 3.22Å; C2108-I2112 WeakPolarHBondContact O-CG1 3.3Å; C2108-I2112 PolarHBondContact O-N 2.93Å
2109	K	87.9	Confident	80.2	Confident	66 Å²	66	78.7 Å²	78.7	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-55.8	-46.8	171.6	-70.4	174.4	-172.1	154.8	0	111.8	E2058 V2105 D2106 H2111 I2112 M2113	E2058-K2109 VanDerWaalsContact CD-NZ 3.25Å; E2058-K2109 WeakPolarHBondContact OE1-CE 3.39Å; E2058-K2109 IonicContact OE1-NZ 2.67Å; E2058-K2109 PolarHBondContact OE1-NZ 3.09Å; E2058-K2109 WeakPolarHBondContact OE2-CE 3.27Å; E2058-K2109 IonicContact OE2-NZ 3.96Å; E2058-K2109 PolarHBondContact OE2-NZ 3.38Å; V2105-K2109 HydrophobicContact CG1-CD 4.29Å; V2105-K2109 VanDerWaalsContact CG1-CE 3.46Å; V2105-K2109 HydrophobicContact CG1-CG 4.48Å; V2105-K2109 WeakPolarHBondContact O-CG 3.36Å; V2105-K2109 PolarHBondContact O-N 3.26Å; D2106-K2109 WeakPolarHBondContact OD1-CD 2.89Å; D2106-K2109 IonicContact OD1-NZ 3.97Å; D2106-K2109 PolarHBondContact OD1-NZ 2.92Å; K2109-H2111 VanDerWaalsContact C-N 3.28Å; K2109-H2111 PolarHBondContact O-N 3.46Å; K2109-I2112 WeakPolarHBondContact O-CB 2.94Å; K2109-I2112 PolarHBondContact O-N 3.16Å; K2109-M2113 PolarHBondContact O-N 3.12Å
2110	S	88.1	Confident	77.7	Confident	66 Å²	66	78.8 Å²	78.8	46%	0.462	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-36	178.7	-59.7	0	0	0	0	111.9	D2106 A2107 C2108 M2113 L2114	D2106-S2110 WeakPolarHBondContact O-CB 3.34Å; D2106-S2110 PolarHBondContact O-N 2.96Å; D2106-S2110 PolarHBondContact O-OG 2.91Å; A2107-S2110 PolarHBondContact O-N 2.78Å; C2108-S2110 VanDerWaalsContact C-N 3.33Å; C2108-S2110 PolarHBondContact O-N 3.03Å; S2110-M2113 PolarHBondContact O-N 3.03Å; S2110-L2114 WeakPolarHBondContact O-CG 3.45Å; S2110-L2114 PolarHBondContact O-N 3.37Å
2111	H	83.6	Confident	75.4	Confident	97 Å²	97	84 Å²	84	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-69	-40.2	174.7	-163.2	40.9	0	0	0	112.3	L2066 A2107 C2108 K2109 L2114 I2115	L2066-H2111 HydrophobicContact CD1-CB 4.38Å; L2066-H2111 HydrophobicContact CD2-CB 4.16Å; A2107-H2111 PolarHBondContact O-N 2.88Å; C2108-H2111 PolarHBondContact O-N 3.22Å; K2109-H2111 VanDerWaalsContact C-N 3.28Å; K2109-H2111 PolarHBondContact O-N 3.46Å; H2111-L2114 PolarHBondContact O-N 3.48Å; H2111-I2115 WeakPolarHBondContact O-CG1 3.45Å; H2111-I2115 PolarHBondContact O-N 2.95Å
2112	I	83	Confident	73	Confident	23 Å²	23	92.7 Å²	92.7	12%	0.118	47%	0.468	C	S	.	.	H	α-helix	trans	-60.9	-45.3	172.8	-63.5	160	0	0	0	110.5	A2062 R2065 L2066 C2108 K2109 I2115 T2116	A2062-I2112 HydrophobicContact CB-CD1 3.81Å; R2065-I2112 HydrophobicContact CB-CD1 3.7Å; R2065-I2112 HydrophobicContact CB-CG1 4.09Å; R2065-I2112 HydrophobicContact CG-CD1 4.48Å; L2066-I2112 HydrophobicContact CD1-CG1 4.21Å; L2066-I2112 HydrophobicContact CD2-CB 4.4Å; L2066-I2112 HydrophobicContact CD2-CG1 3.53Å; L2066-I2112 HydrophobicContact CG-CD1 4.25Å; L2066-I2112 HydrophobicContact CG-CG1 3.56Å; C2108-I2112 WeakPolarHBondContact O-CG1 3.3Å; C2108-I2112 PolarHBondContact O-N 2.93Å; K2109-I2112 WeakPolarHBondContact O-CB 2.94Å; K2109-I2112 PolarHBondContact O-N 3.16Å; I2112-I2115 PolarHBondContact O-N 2.87Å; I2112-T2116 HydrophobicContact CG2-CG2 4.23Å; I2112-T2116 WeakPolarHBondContact O-CB 3.35Å; I2112-T2116 WeakPolarHBondContact O-CG2 3.38Å; I2112-T2116 PolarHBondContact O-N 3.24Å; I2112-T2116 PolarHBondContact O-OG1 2.67Å
2113	M	78.7	Confident	70.2	Confident	126 Å²	126	97.2 Å²	97.2	62%	0.621	49%	0.491	S	S	*	.	H	α-helix	trans	-58.8	-47.8	175.4	-75.6	-179.4	62.4	0	0	111.3	K2109 S2110 I2115 T2116 C2117	K2109-M2113 PolarHBondContact O-N 3.12Å; S2110-M2113 PolarHBondContact O-N 3.03Å; M2113-I2115 PolarHBondContact O-N 2.95Å; M2113-T2116 PolarHBondContact O-N 3.44Å; M2113-T2116 PolarHBondContact O-OG1 2.99Å; M2113-C2117 WeakPolarHBondContact O-CB 3.42Å; M2113-C2117 PolarHBondContact O-N 3.35Å; M2113-C2117 PolarHBondContact O-SG 2.55Å
2114	L	78.3	Confident	67.3	Low	106 Å²	106	97.3 Å²	97.3	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-60.4	-43.3	178.4	-78.4	166.4	0	0	0	112.6	S2110 H2111 F2118	S2110-L2114 WeakPolarHBondContact O-CG 3.45Å; S2110-L2114 PolarHBondContact O-N 3.37Å; H2111-L2114 PolarHBondContact O-N 3.48Å; L2114-F2118 WeakPolarHBondContact O-CD2 3.28Å
2115	I	71.8	Confident	64.8	Low	76 Å²	76	94.9 Å²	94.9	39%	0.39	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-51.8	177.6	-70.6	164.4	0	0	0	110.6	L2066 H2111 I2112 M2113 C2117 F2118 D2119	L2066-I2115 HydrophobicContact CD2-CD1 3.58Å; H2111-I2115 WeakPolarHBondContact O-CG1 3.45Å; H2111-I2115 PolarHBondContact O-N 2.95Å; I2112-I2115 PolarHBondContact O-N 2.87Å; M2113-I2115 PolarHBondContact O-N 2.95Å; I2115-C2117 VanDerWaalsContact C-N 3.26Å; I2115-C2117 PolarHBondContact O-N 3.42Å; I2115-F2118 PolarHBondContact O-N 2.98Å; I2115-D2119 PolarHBondContact O-N 2.89Å
2116	T	66.6	Low	62.1	Low	77 Å²	77	103.4 Å²	103.4	47%	0.472	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-23.6	-178.1	53	0	0	0	0	113.7	I2112 M2113 F2118 D2119	I2112-T2116 HydrophobicContact CG2-CG2 4.23Å; I2112-T2116 WeakPolarHBondContact O-CB 3.35Å; I2112-T2116 WeakPolarHBondContact O-CG2 3.38Å; I2112-T2116 PolarHBondContact O-N 3.24Å; I2112-T2116 PolarHBondContact O-OG1 2.67Å; M2113-T2116 PolarHBondContact O-N 3.44Å; M2113-T2116 PolarHBondContact O-OG1 2.99Å; T2116-F2118 VanDerWaalsContact C-N 3.28Å; T2116-F2118 PolarHBondContact O-N 3.2Å; T2116-D2119 PolarHBondContact O-N 3.37Å
2117	C	57.6	Low	59.5	Low	76 Å²	76	107.2 Å²	107.2	51%	0.514	58%	0.577	S	S	.	*	H	α-helix	trans	-60.4	-36.2	169.2	-75.6	0	0	0	0	112.3	M2113 I2115 S2120	M2113-C2117 WeakPolarHBondContact O-CB 3.42Å; M2113-C2117 PolarHBondContact O-N 3.35Å; M2113-C2117 PolarHBondContact O-SG 2.55Å; I2115-C2117 VanDerWaalsContact C-N 3.26Å; I2115-C2117 PolarHBondContact O-N 3.42Å; C2117-S2120 WeakPolarHBondContact O-CB 3.07Å; C2117-S2120 PolarHBondContact O-N 3.01Å; C2117-S2120 PolarHBondContact O-OG 3.02Å
2118	F	47.8	Very low	56.9	Low	178 Å²	178	108.2 Å²	108.2	78%	0.781	58%	0.58	S	S	*	*	H	α-helix	trans	-80.7	-20.6	179.8	-68.1	-67.6	0	0	0	113.9	L2114 I2115 T2116 S2120	L2114-F2118 WeakPolarHBondContact O-CD2 3.28Å; I2115-F2118 PolarHBondContact O-N 2.98Å; T2116-F2118 VanDerWaalsContact C-N 3.28Å; T2116-F2118 PolarHBondContact O-N 3.2Å; F2118-S2120 PolarHBondContact O-N 3.44Å
2119	D	46.6	Very low	54.4	Low	130 Å²	130	114 Å²	114	70%	0.695	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-9.1	170	-79.8	-40	0	0	0	113.2	I2115 T2116 Q2121	I2115-D2119 PolarHBondContact O-N 2.89Å; T2116-D2119 PolarHBondContact O-N 3.37Å; D2119-Q2121 VanDerWaalsContact C-N 3.31Å; D2119-Q2121 PolarHBondContact O-N 3.18Å
2120	S	40.3	Very low	51.9	Low	61 Å²	61	116.2 Å²	116.2	43%	0.427	63%	0.628	S	S	.	*			trans	-76.1	74.6	179.3	74.4	0	0	0	0	113	C2117 F2118 F2122	C2117-S2120 WeakPolarHBondContact O-CB 3.07Å; C2117-S2120 PolarHBondContact O-N 3.01Å; C2117-S2120 PolarHBondContact O-OG 3.02Å; F2118-S2120 PolarHBondContact O-N 3.44Å; S2120-F2122 PolarHBondContact O-N 3.32Å
2121	Q	39.6	Very low	49.4	Very low	188 Å²	188	119.4 Å²	119.4	88%	0.879	64%	0.639	S	S	*	*			trans	-67.5	75.3	163.3	-74.5	-155.7	0.6	0	0	111.1	D2119 K2123	D2119-Q2121 VanDerWaalsContact C-N 3.31Å; D2119-Q2121 PolarHBondContact O-N 3.18Å; Q2121-K2123 PolarHBondContact O-N 3.11Å
2122	F	38.7	Very low	46.9	Very low	183 Å²	183	121.4 Å²	121.4	80%	0.803	65%	0.653	S	S	*	*			trans	-61	105.4	169.4	-88	-82.7	0	0	0	110	S2120 S2124	S2120-F2122 PolarHBondContact O-N 3.32Å; F2122-S2124 PolarHBondContact O-N 3.12Å; F2122-S2124 VanDerWaalsContact O-N 3.15Å
2123	K	35.4	Very low	44.4	Very low	200 Å²	200	127.5 Å²	127.5	87%	0.87	69%	0.685	S	S	*	*			trans	-60	117.9	172.8	-68.8	-178.3	179.5	178.2	0	109.3	Q2121 G2125	Q2121-K2123 PolarHBondContact O-N 3.11Å; K2123-G2125 PolarHBondContact O-N 2.8Å
2124	S	30	Very low	42.4	Very low	131 Å²	131	127.9 Å²	127.9	92%	0.916	70%	0.695	S	S	*	*	S	Bend	trans	-65.6	89	178.7	54.3	0	0	0	0	111.2	F2122	F2122-S2124 PolarHBondContact O-N 3.12Å; F2122-S2124 VanDerWaalsContact O-N 3.15Å
2125	G	33.4	Very low	40	Very low	61 Å²	61	134.8 Å²	134.8	63%	0.629	71%	0.714	S	S	*	*	S	Bend	trans	-167.9	-2.2	-177.3	0	0	0	0	0	118.7	K2123	K2123-G2125 PolarHBondContact O-N 2.8Å
2126	Q	34.9	Very low	38.3	Very low	180 Å²	180	137.3 Å²	137.3	84%	0.841	73%	0.733	S	S	*	*	S	Bend	trans	-132.5	8.7	-177.9	-72.8	-169.9	-29.1	0	0	115.7
2127	L	34.7	Very low	36.6	Very low	139 Å²	139	141.7 Å²	141.7	73%	0.728	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-84.1	-5.6	-179.7	-103.2	158.6	0	0	0	114.9
2128	S	32.1	Very low	35.5	Very low	81 Å²	81	146.9 Å²	146.9	57%	0.566	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-76.7	-23.7	-175.5	49.2	0	0	0	0	115
2129	N	32.8	Very low	34.6	Very low	148 Å²	148	144.7 Å²	144.7	79%	0.791	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-93.9	-3.7	-170.5	-73.9	3	0	0	0	115.1
2130	V	36.4	Very low	34	Very low	114 Å²	114	145.4 Å²	145.4	69%	0.691	77%	0.774	S	S	*	*	S	Bend	trans	-98	-23.9	-179.2	-176.9	0	0	0	0	112.5	N2132	V2130-N2132 PolarHBondContact O-N 3.32Å
2131	I	35	Very low	33.4	Very low	132 Å²	132	149 Å²	149	68%	0.677	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-16.9	-169.7	-66.4	174.6	0	0	0	113.4
2132	N	30.6	Very low	33.2	Very low	139 Å²	139	146 Å²	146	74%	0.743	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	3.4	-171	-76.7	-17.4	0	0	0	116.1	V2130	V2130-N2132 PolarHBondContact O-N 3.32Å
2133	N	30.3	Very low	32.8	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	77%	0.771	S	S	*	*	S	Bend	trans	-140.6	67.7	-177.6	-95.4	-35.2	0	0	0	114.4
2134	T	37.2	Very low	32.7	Very low	135 Å²	135	142.3 Å²	142.3	83%	0.828	77%	0.766	S	S	*	*			trans	-166.7	101.2	150	5.9	0	0	0	0	110.6
2135	R	28.4	Very low	32.8	Very low	251 Å²	251	140.6 Å²	140.6	95%	0.947	75%	0.75	S	S	*	*			trans	-132.6	50	179.2	-160.1	-175.6	178	177.7	-0.3	112.5
2136	T	36.9	Very low	32.7	Very low	129 Å²	129	143.4 Å²	143.4	79%	0.791	75%	0.751	S	S	*	*	S	Bend	trans	-138.6	144.4	175.7	40.9	0	0	0	0	110.2	Q2138	T2136-Q2138 PolarHBondContact O-N 3.08Å
2137	N	29.8	Very low	32.7	Very low	168 Å²	168	138.9 Å²	138.9	90%	0.898	74%	0.736	S	S	*	*			trans	-72.6	121.9	-173.3	-59.5	-59.3	0	0	0	112.3
2138	Q	33.9	Very low	32.8	Very low	186 Å²	186	138 Å²	138	87%	0.869	73%	0.732	S	S	*	*			trans	-159.6	152.4	147.9	-113.5	164.3	16.3	0	0	111.2	T2136 I2140	T2136-Q2138 PolarHBondContact O-N 3.08Å; Q2138-I2140 PolarHBondContact O-N 2.76Å
2139	T	29.4	Very low	32.8	Very low	131 Å²	131	142.8 Å²	142.8	80%	0.804	75%	0.75	S	S	*	*			trans	-77.2	112.2	-175.3	-48.6	0	0	0	0	110.4	N2141	T2139-N2141 PolarHBondContact O-N 3.45Å; T2139-N2141 VanDerWaalsContact O-N 3.14Å
2140	I	33.8	Very low	32.6	Very low	146 Å²	146	142.7 Å²	142.7	75%	0.749	75%	0.749	S	S	*	*			trans	-79.9	96.9	174.9	-55.6	179.5	0	0	0	109.2	Q2138 I2142	Q2138-I2140 PolarHBondContact O-N 2.76Å; I2140-I2142 HydrophobicContact CG2-CG1 3.85Å
2141	N	29	Very low	32.4	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	75%	0.752	S	S	*	*			trans	-71.1	120.2	155	-76.5	-8.6	0	0	0	107.6	T2139 T2143	T2139-N2141 PolarHBondContact O-N 3.45Å; T2139-N2141 VanDerWaalsContact O-N 3.14Å; N2141-T2143 PolarHBondContact O-N 2.72Å
2142	I	34.6	Very low	32.3	Very low	125 Å²	125	144.7 Å²	144.7	64%	0.641	76%	0.756	S	S	*	*			trans	-89.4	88.8	172.6	-56.1	179.4	0	0	0	107.9	I2140 Y2144	I2140-I2142 HydrophobicContact CG2-CG1 3.85Å; I2142-Y2144 HydrophobicContact CG2-CD2 3.65Å; I2142-Y2144 HydrophobicContact CG2-CE2 3.37Å
2143	T	29.4	Very low	32.4	Very low	112 Å²	112	145.1 Å²	145.1	69%	0.687	76%	0.757	S	S	*	*			trans	-92.4	110.3	168.5	-47.7	0	0	0	0	107.9	N2141 T2145	N2141-T2143 PolarHBondContact O-N 2.72Å; T2143-T2145 PolarHBondContact O-N 3.16Å
2144	Y	33.9	Very low	32.5	Very low	194 Å²	194	144.7 Å²	144.7	76%	0.761	75%	0.754	S	S	*	*			trans	-84.9	99.7	175.3	-87.3	-72.7	0	0	0	110.5	I2142	I2142-Y2144 HydrophobicContact CG2-CD2 3.65Å; I2142-Y2144 HydrophobicContact CG2-CE2 3.37Å
2145	T	32.6	Very low	32.2	Very low	95 Å²	95	145.3 Å²	145.3	58%	0.583	75%	0.749	S	S	*	*			trans	-89	124.2	164.6	49.3	0	0	0	0	110.1	H1812 T2143 T2147	H1812-T2145 WeakPolarHBondContact NE2-CA 3.37Å; H1812-T2145 VanDerWaalsContact NE2-CB 3.26Å; H1812-T2145 WeakPolarHBondContact NE2-CB 3.47Å; T2143-T2145 PolarHBondContact O-N 3.16Å; T2145-T2147 PolarHBondContact O-N 2.86Å
2146	N	30.4	Very low	32.5	Very low	121 Å²	121	138.3 Å²	138.3	65%	0.647	74%	0.736	S	S	*	*			trans	-86.4	98.2	178.5	-92.9	-11.6	0	0	0	111.3	H1812	H1812-N2146 HydrophobicContact CB-CB 4.22Å; H1812-N2146 PolarHBondContact CD2-N 3.29Å; H1812-N2146 PolarHBondContact CE1-N 2.9Å; H1812-N2146 PolarHBondContact CE1-O 3.23Å; H1812-N2146 PolarHBondContact ND1-O 2.8Å; H1812-N2146 PolarHBondContact NE2-N 3Å
2147	T	34.6	Very low	32.1	Very low	84 Å²	84	138.9 Å²	138.9	52%	0.515	73%	0.732	S	S	.	*			trans	-131.9	148.4	160.4	50	0	0	0	0	109.1	D1814 T2145	D1814-T2147 HydrophobicContact CB-CG2 4.4Å; T2145-T2147 PolarHBondContact O-N 2.86Å
2148	D	36.9	Very low	32.3	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	72%	0.719	S	S	*	*			trans	-87.3	157.8	-139.7	-97	-61.1	0	0	0	117.7
2149	L	33.9	Very low	32.2	Very low	181 Å²	181	132.6 Å²	132.6	95%	0.948	71%	0.707	S	S	*	*			trans	-131.7	63.5	149.2	-94.5	-179.2	0	0	0	111
2150	N	27.7	Very low	32.4	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	70%	0.698	S	S	*	*				-163.8	0	120.7	-160.5	147.6	0	0	0	114.2	R1681	R1681-N2150 VanDerWaalsContact NH1-CB 3.33Å; R1681-N2150 VanDerWaalsContact NH1-CG 3.34Å; R1681-N2150 PolarHBondContact NH1-ND2 2.78Å; R1681-N2150 PolarHBondContact NH1-O 3.47Å; R1681-N2150 PolarHBondContact NH2-O 3.47Å; R1681-N2150 PolarHBondContact NH2-OXT 3.38Å

Retrieved 2,150 of 2,150 residues in 1157.5 ms (Link to these results)

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