A0A3Q0KNQ2_SCHMA Loading...

DM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,278 aa.

						>A0A3Q0KNQ2_SCHMA|A0A3Q0KNQ2
MNDYIYTLPITQQFKNINNNNDNFYSTSFTTTIAPTTSTRTNTSPTGTITVNKTVLCNDVSNDQKDYCYNYTTEPQQFESIPLSLFNIQKQNDPIVNDEYYVSDGNLLNNNNHSDYHNILPTQSYPFYPVKYNELTKDVYNSIQTSSFDKNDLDIQTQPKYMNDNIHHNDKSIQLPTTDTYEYQQQVTPIINEQYLYTTNILDKFITKNDWNQQTIITESSNLIKCKTQNSLCHTSYSKNSTGFICLNENNHLEHQRLPHLTSDLDCHIPNLSDYSIKSKNDEVNTSQTKSTYPLPTELNRKRKSSNHIALEKSISLFHDQHSSLSKYHHTLKTNRPTHKFTYHSTNTYNANGNYTTCNNVTRHLKSLQNKHITPDNTCCHTYDSYIHNENLLESFNNKTSSKVKNQTIIPSSSSSSNSILSRSPYKCRKCKGHGMSEPVRQHKRNCPYRDCTCDMCYLVEKGRRIVAQQIALFRDQKNNVQKLSYQKDRSIKNIIIKESLNNINEDNGPHCRRCRNHGHNISWKGHKKTCPYKECYCDQCILISLRKSNEKDLREVTQEFIDSQPENGEKKTSTKNTSANYETNTCSFNEKCHIINSNFSSTTSEDYNHNASYNPYSNNDPVVSFGENCKAHDSFYPPLVNKTCVNSLIHHLVTSSTTTTLDPFCTTHISKCENKQIYCSSTTSSHLKSIENPNLEPSTYREAFNNITKPFNFSENTNSLNFDKNEFNSQKIPDKTEFIFQNNHNCFSSFDCPTSLISSTISTNKIHESDHNTSQFLEFNSTQTFCNSNNNTGSSIMRTKYDTIVNPNTSFKTNYLNDFEVNSTNHNSEQFLSDQSIEINKSMLENKYHESYITDCSQDVPMDCINSSNDHFKNLDQQLKTNYSYPSQFNKEYINSNFYHLQGYQKPNPSSLISSSTLRKNTITDYIYHSEEKNTIYPTDYLSHSVNLNEDKLIRPTTNHAAALAAAAAAAVAFHHEVVCQQKHQEEYTQHIEDIKQVYKQSDVQLEQQNLFNTNITTITTTTTTTTDTISNMNNNHNINSMKDGLNMIQESINTPLNFLNMSNMLNDEKQNYSNDHLLITSPLIQSIQTNYKQKIMKLNENSLKNYKNSLNLSNNNQYNYNLDLFTHYSLDSNKQPPQQQPPPPQQQPQQPQQQQYLTKDTLNIHNYNTIKYNNITDYIQYNSNIKLNHEINKLQIIHLTNAIILPSKQSSLKQLPYEYNNNNNTNTTTTTTTTTTTNNNNGNNNDNATWNSLPNECNNLFKKFDVSPHVFKHIGL
					

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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	32.7	Very low	31.1	Very low	118 Å²	118	134.6 Å²	134.6	58%	0.581	69%	0.686	S	S	*	*				0	118.4	0	-79	-167.7	147.8	0	0	107.5	D3 S574 T575 K576	M1-D3 WeakPolarHBondContact CA-OD2 3.43Å; M1-D3 PolarHBondContact N-OD2 2.93Å; M1-S574 VanDerWaalsContact CE-C 3.49Å; M1-S574 VanDerWaalsContact CE-O 3.32Å; M1-S574 WeakPolarHBondContact CE-O 3.49Å; M1-T575 WeakPolarHBondContact CE-O 3.16Å; M1-K576 HydrophobicContact CE-CB 4.48Å; M1-K576 HydrophobicContact CE-CG 4.02Å; M1-K576 HydrophobicContact CG-CG 4.01Å
2	N	37.9	Very low	30.7	Very low	136 Å²	136	137.7 Å²	137.7	73%	0.727	70%	0.696	S	S	*	*			cis	-123.8	120.3	-18.6	-65.6	-29.3	0	0	0	105.2
3	D	28.8	Very low	30.4	Very low	79 Å²	79	137.2 Å²	137.2	42%	0.422	69%	0.69	S	S	.	*				59.4	127.5	56.2	-54.4	-86.6	0	0	0	111.3	M1 K576	M1-D3 WeakPolarHBondContact CA-OD2 3.43Å; M1-D3 PolarHBondContact N-OD2 2.93Å; D3-K576 IonicContact OD1-NZ 3.29Å; D3-K576 PolarHBondContact OD1-NZ 3.33Å; D3-K576 WeakPolarHBondContact OD2-CE 3.47Å; D3-K576 IonicContact OD2-NZ 2.69Å; D3-K576 PolarHBondContact OD2-NZ 2.86Å
4	Y	30.3	Very low	30.1	Very low	177 Å²	177	139.4 Å²	139.4	69%	0.694	69%	0.693	S	S	*	*			cis	-141.2	171.8	14	-103	-64.5	0	0	0	114.8	Y6 K576	Y4-Y6 HydrophobicContact CD1-CE2 4.42Å; Y4-K576 PolarHBondContact OH-NZ 3.12Å
5	I	33.3	Very low	29.8	Very low	148 Å²	148	141.2 Å²	141.2	76%	0.759	70%	0.695	S	S	*	*			trans	-97.7	-160.6	172.1	-71.2	164.1	0	0	0	109
6	Y	31.4	Very low	29.6	Very low	185 Å²	185	140.4 Å²	140.4	73%	0.725	70%	0.695	S	S	*	*			trans	93.7	130.9	176	-61.4	-81.4	0	0	0	114.5	Y4	Y4-Y6 HydrophobicContact CD1-CE2 4.42Å
7	T	30.5	Very low	29.3	Very low	109 Å²	109	139.4 Å²	139.4	67%	0.669	69%	0.691	S	S	*	*			cis	67.6	131.9	27.6	77.8	0	0	0	0	113.3
8	L	27.9	Very low	29.2	Very low	163 Å²	163	139.8 Å²	139.8	85%	0.853	70%	0.696	S	S	*	*			cis	-145.2	-171.1	23.9	-102.4	121.7	0	0	0	111.1
9	P	35.2	Very low	29.1	Very low	93 Å²	93	139 Å²	139	60%	0.604	69%	0.694	S	S	*	*			trans	-109.6	160	-167.3	40.6	-34.6	0	0	0	117.5
10	I	28.4	Very low	29.2	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	70%	0.7	S	S	*	*			trans	-143.1	96.8	170	-64.4	-179.2	0	0	0	105.8
11	T	25.5	Very low	29.2	Very low	113 Å²	113	138.7 Å²	138.7	69%	0.693	70%	0.697	S	S	*	*				74.3	129.7	84.1	59.3	0	0	0	0	117.2
12	Q	26.8	Very low	29.1	Very low	171 Å²	171	138.7 Å²	138.7	80%	0.799	70%	0.7	S	S	*	*			trans	72.3	147.5	156.5	-72.6	-179.1	0.1	0	0	119.5
13	Q	27	Very low	28.8	Very low	132 Å²	132	138.5 Å²	138.5	62%	0.617	70%	0.699	S	S	*	*			cis	-164.9	-171.3	-29.3	-132.4	-175.6	35.7	0	0	111
14	F	26.2	Very low	28.5	Very low	168 Å²	168	143.1 Å²	143.1	74%	0.737	72%	0.715	S	S	*	*			trans	77.7	127.9	172.8	-53.7	-82.9	0	0	0	116.2
15	K	25.7	Very low	28.5	Very low	166 Å²	166	145.6 Å²	145.6	72%	0.722	73%	0.725	S	S	*	*			cis	95.3	109.7	27.1	-79.2	-169.4	169	-176	0	115.1
16	N	26.2	Very low	28	Very low	129 Å²	129	143.3 Å²	143.3	69%	0.69	72%	0.723	S	S	*	*				133.9	118.5	129	-77.5	0.7	0	0	0	111.6
17	I	24.3	Very low	27.9	Very low	123 Å²	123	141.6 Å²	141.6	63%	0.631	73%	0.731	S	S	*	*				68.6	95.8	67.3	-60.9	171	0	0	0	111.6
18	N	28.5	Very low	27.6	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	73%	0.734	S	S	*	*				-158	125.9	113.7	-89.1	-29.1	0	0	0	106.7
19	N	26	Very low	27.5	Very low	125 Å²	125	143.3 Å²	143.3	67%	0.668	74%	0.736	S	S	*	*				62.2	106	61.8	-73.2	7	0	0	0	113.2
20	N	31.4	Very low	27	Very low	150 Å²	150	145.1 Å²	145.1	80%	0.802	75%	0.745	S	S	*	*			trans	157.7	145.3	131.7	-80.1	-3.9	0	0	0	110.6
21	N	28.8	Very low	27	Very low	121 Å²	121	143.7 Å²	143.7	65%	0.647	74%	0.744	S	S	*	*			cis	-163.5	171.3	-32.4	-140.7	30.8	0	0	0	109.8
22	D	31.1	Very low	26.9	Very low	119 Å²	119	144.7 Å²	144.7	64%	0.636	75%	0.75	S	S	*	*			trans	70.5	129.6	147.4	-61.9	-34.8	0	0	0	124.4
23	N	30.7	Very low	27	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	75%	0.752	S	S	*	*			trans	72.6	110	144.3	-60.7	-24.6	0	0	0	120.5
24	F	24.5	Very low	27	Very low	175 Å²	175	142 Å²	142	77%	0.768	76%	0.756	S	S	*	*				75.5	115.2	71	-95.1	-81.6	0	0	0	114.3
25	Y	28.8	Very low	27.2	Very low	229 Å²	229	140.1 Å²	140.1	90%	0.898	76%	0.76	S	S	*	*				-168.1	150.8	118.3	-108.6	-71.3	0	0	0	110.6
26	S	22.8	Very low	27.4	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	77%	0.769	S	S	*	*			trans	-125	135.2	-178	-53.3	0	0	0	0	111.3
27	T	29.3	Very low	27.5	Very low	148 Å²	148	139.2 Å²	139.2	91%	0.908	77%	0.774	S	S	*	*			trans	-143.7	147	161.1	42.7	0	0	0	0	110.7
28	S	24	Very low	27.8	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	79%	0.785	S	S	*	*			trans	-115.1	142.9	-172.7	53.6	0	0	0	0	111.6
29	F	27.1	Very low	27.7	Very low	205 Å²	205	138.6 Å²	138.6	90%	0.899	79%	0.787	S	S	*	*			trans	-139.5	138.4	162.6	-95	-80.1	0	0	0	111.7
30	T	23.8	Very low	27.9	Very low	131 Å²	131	143.7 Å²	143.7	80%	0.804	80%	0.797	S	S	*	*			trans	-121.1	132.7	-179.8	49.3	0	0	0	0	110.1
31	T	28.2	Very low	27.8	Very low	130 Å²	130	141.6 Å²	141.6	80%	0.798	79%	0.789	S	S	*	*			trans	-137.7	132.8	171.3	-48.6	0	0	0	0	110.1
32	T	24.4	Very low	27.8	Very low	134 Å²	134	142.6 Å²	142.6	82%	0.822	80%	0.795	S	S	*	*			trans	-113.5	130.3	-175.8	-55.4	0	0	0	0	110.2
33	I	29.2	Very low	27.8	Very low	163 Å²	163	143.4 Å²	143.4	84%	0.836	80%	0.804	S	S	*	*			trans	-138.5	138.1	167.1	-56.8	-178.6	0	0	0	108.2
34	A	25.4	Very low	27.8	Very low	85 Å²	85	140.7 Å²	140.7	70%	0.702	80%	0.795	S	S	*	*			trans	-126.4	148.9	179.7	0	0	0	0	0	111.3
35	P	31.5	Very low	28.2	Very low	127 Å²	127	137.8 Å²	137.8	83%	0.825	79%	0.794	S	S	*	*			trans	-90.2	150.4	171.3	35.5	-32.4	0	0	0	112.1
36	T	30.6	Very low	28.3	Very low	147 Å²	147	131 Å²	131	90%	0.902	78%	0.777	S	S	*	*			trans	-93.9	157.5	-179	41.7	0	0	0	0	113.5
37	T	26.6	Very low	28.6	Very low	130 Å²	130	127 Å²	127	80%	0.798	75%	0.751	S	S	*	*			trans	-117.5	147.5	179.1	49.5	0	0	0	0	112
38	S	31	Very low	28.4	Very low	123 Å²	123	125.2 Å²	125.2	86%	0.86	74%	0.74	S	S	*	*			trans	-139.1	141.2	166.6	-69.3	0	0	0	0	110.8
39	T	27	Very low	28.5	Very low	133 Å²	133	127.7 Å²	127.7	82%	0.816	74%	0.744	S	S	*	*			trans	-149.8	143	-171.5	49.5	0	0	0	0	112.6
40	R	30.5	Very low	28.4	Very low	232 Å²	232	124.5 Å²	124.5	88%	0.875	74%	0.741	S	S	*	*			trans	-166.1	115.2	169.3	-143.4	169.1	168.9	-163.1	-8.1	107.8
41	T	28.5	Very low	28.6	Very low	106 Å²	106	124.2 Å²	124.2	65%	0.65	74%	0.739	S	S	*	*				61.5	129.3	59.9	72	0	0	0	0	114.1
42	N	29.6	Very low	28.6	Very low	142 Å²	142	125.7 Å²	125.7	76%	0.759	74%	0.742	S	S	*	*			cis	-144.6	-157.3	-7	-84.8	-13.4	0	0	0	106.6
43	T	30.2	Very low	28.7	Very low	136 Å²	136	128 Å²	128	83%	0.834	74%	0.741	S	S	*	*			cis	-162.9	167.9	12.3	-31.3	0	0	0	0	110.2
44	S	31.1	Very low	28.6	Very low	74 Å²	74	127 Å²	127	52%	0.517	74%	0.743	S	S	.	*			trans	-108.5	168.3	169.9	55.3	0	0	0	0	112.9
45	P	33.8	Very low	28.7	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	75%	0.748	S	S	*	*				-144.5	-150.4	104.4	40.8	-24.8	0	0	0	114.5
46	T	29.1	Very low	28.5	Very low	86 Å²	86	131.1 Å²	131.1	53%	0.528	75%	0.749	S	S	.	*			trans	-133.5	146.7	-144	50.8	0	0	0	0	116.8	K1173	T46-K1173 HydrophobicContact CG2-CD 4.44Å; T46-K1173 HydrophobicContact CG2-CG 4.14Å
47	G	29.3	Very low	28.7	Very low	17 Å²	17	129.3 Å²	129.3	18%	0.175	74%	0.742	C	S	.	*			trans	-150	162	163.3	0	0	0	0	0	112.4	K1173	G47-K1173 VanDerWaalsContact O-CD 3.28Å; G47-K1173 WeakPolarHBondContact O-CD 3.37Å; G47-K1173 WeakPolarHBondContact O-CE 3.28Å; G47-K1173 VanDerWaalsContact O-CG 3.3Å; G47-K1173 WeakPolarHBondContact O-CG 3.23Å
48	T	25.9	Very low	28.7	Very low	111 Å²	111	130.4 Å²	130.4	68%	0.681	74%	0.743	S	S	*	*			trans	-155.3	129.2	-178.6	6.2	0	0	0	0	112	K1173	T48-K1173 HydrophobicContact CG2-CD 4.14Å; T48-K1173 PolarHBondContact OG1-NZ 2.79Å
49	I	26	Very low	28.5	Very low	155 Å²	155	131.6 Å²	131.6	80%	0.795	74%	0.74	S	S	*	*			trans	-142.6	138.6	165.8	-60.6	-177.4	0	0	0	108.3
50	T	25	Very low	28.7	Very low	137 Å²	137	132 Å²	132	84%	0.84	74%	0.741	S	S	*	*			trans	-95.7	140.9	174.1	20.9	0	0	0	0	111.5
51	V	28.8	Very low	28.6	Very low	125 Å²	125	125.8 Å²	125.8	76%	0.758	73%	0.733	S	S	*	*			trans	-140.4	114.7	166.4	-178.1	0	0	0	0	109.5
52	N	27.1	Very low	28.7	Very low	161 Å²	161	126.2 Å²	126.2	86%	0.861	73%	0.732	S	S	*	*			trans	-79.8	132.9	162.1	-79.8	-12	0	0	0	109
53	K	27.7	Very low	28.9	Very low	182 Å²	182	126.3 Å²	126.3	79%	0.791	73%	0.732	S	S	*	*			trans	-161.6	121.2	153.7	-117	163.8	-174.1	178	0	112.4	V55	K53-V55 HydrophobicContact CB-CG2 4.46Å
54	T	26.4	Very low	29.1	Very low	144 Å²	144	128.6 Å²	128.6	88%	0.883	73%	0.733	S	S	*	*			trans	-60.8	137.6	151.7	34.7	0	0	0	0	109
55	V	27.2	Very low	29.2	Very low	134 Å²	134	132.1 Å²	132.1	81%	0.812	74%	0.739	S	S	*	*			trans	-134.3	135.2	171.4	179.7	0	0	0	0	108.2	K53	K53-V55 HydrophobicContact CB-CG2 4.46Å
56	L	27.7	Very low	29	Very low	163 Å²	163	134.2 Å²	134.2	85%	0.853	75%	0.745	S	S	*	*			trans	-80.7	160.7	-176.3	-160.1	68.9	0	0	0	110.9
57	C	34.2	Very low	29	Very low	110 Å²	110	141.1 Å²	141.1	74%	0.743	76%	0.762	S	S	*	*			trans	-57.6	143.3	173.2	-57.3	0	0	0	0	112.4
58	N	26.7	Very low	28.9	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	78%	0.783	S	S	*	*			trans	-169.5	177.5	131.4	-94.2	-26.3	0	0	0	110.4
59	D	27.7	Very low	29	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	79%	0.788	S	S	*	*			trans	77.8	98.8	165.9	-59.6	-19.5	0	0	0	119.8
60	V	29.4	Very low	29	Very low	140 Å²	140	147 Å²	147	85%	0.848	78%	0.78	S	S	*	*			trans	107	125.6	136.4	178.1	0	0	0	0	119.8
61	S	29.4	Very low	29	Very low	102 Å²	102	151.4 Å²	151.4	71%	0.713	78%	0.783	S	S	*	*			trans	71.9	147.5	172.8	-147.3	0	0	0	0	117.3
62	N	31	Very low	28.8	Very low	116 Å²	116	150.3 Å²	150.3	62%	0.62	78%	0.777	S	S	*	*	S	Bend	trans	-113.5	-13.5	-152.2	-101.8	-11.1	0	0	0	116.8	Q64	N62-Q64 VanDerWaalsContact C-N 3.35Å; N62-Q64 PolarHBondContact O-N 3.27Å
63	D	32.2	Very low	28.8	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	24.8	-168.7	-56.5	-48.2	0	0	0	114.9
64	Q	35.8	Very low	28.7	Very low	184 Å²	184	148.4 Å²	148.4	86%	0.86	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	21.4	-178.1	-66.7	-168.3	-16.5	0	0	114.4	N62	N62-Q64 VanDerWaalsContact C-N 3.35Å; N62-Q64 PolarHBondContact O-N 3.27Å
65	K	32	Very low	28.6	Very low	148 Å²	148	147 Å²	147	64%	0.643	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-7	-169.7	-87.9	177.9	176.1	166.9	0	117.8	Y67	K65-Y67 VanDerWaalsContact C-N 3.33Å; K65-Y67 PolarHBondContact O-N 3.21Å
66	D	31	Very low	28.6	Very low	160 Å²	160	149.5 Å²	149.5	86%	0.856	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	13.2	-179.7	-70.9	-13.4	0	0	0	114.6
67	Y	29	Very low	28.5	Very low	230 Å²	230	149 Å²	149	90%	0.902	76%	0.764	S	S	*	*	S	Bend	trans	-125.4	45.3	173.5	-87.7	-85.9	0	0	0	112.3	K65	K65-Y67 VanDerWaalsContact C-N 3.33Å; K65-Y67 PolarHBondContact O-N 3.21Å
68	C	26.1	Very low	28	Very low	90 Å²	90	154.1 Å²	154.1	61%	0.608	77%	0.774	S	S	*	*	S	Bend	trans	-154.8	126.9	170.4	-139.8	0	0	0	0	111.8
69	Y	27.8	Very low	27.9	Very low	198 Å²	198	153.4 Å²	153.4	78%	0.776	77%	0.766	S	S	*	*			trans	66	145.3	179.4	-64	-91.5	0	0	0	115.8
70	N	27.2	Very low	27.8	Very low	118 Å²	118	151 Å²	151	63%	0.631	76%	0.761	S	S	*	*			cis	-123.7	133.9	6.1	-73.4	-70	0	0	0	112.8
71	Y	24.6	Very low	27.6	Very low	230 Å²	230	151.5 Å²	151.5	90%	0.902	76%	0.757	S	S	*	*				-126.2	97	122	-109.6	-78.7	0	0	0	106.9	T73	Y71-T73 PolarHBondContact O-N 3.11Å; Y71-T73 VanDerWaalsContact O-N 3.15Å
72	T	24.9	Very low	27.4	Very low	103 Å²	103	152.1 Å²	152.1	63%	0.632	76%	0.759	S	S	*	*			trans	-67.5	102.8	163.1	35.9	0	0	0	0	107.9	E74	T72-E74 PolarHBondContact O-N 3.25Å
73	T	26.8	Very low	27.1	Very low	131 Å²	131	154.5 Å²	154.5	80%	0.804	77%	0.77	S	S	*	*			trans	-67.8	112.7	158.3	49.1	0	0	0	0	107.5	Y71	Y71-T73 PolarHBondContact O-N 3.11Å; Y71-T73 VanDerWaalsContact O-N 3.15Å
74	E	26.2	Very low	26.7	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	77%	0.766	S	S	*	*			trans	-58.4	146.5	170.2	-71.5	-175	118.8	0	0	110.6	T72 Q76	T72-E74 PolarHBondContact O-N 3.25Å; E74-Q76 PolarHBondContact O-N 3.48Å
75	P	23.6	Very low	26.3	Very low	115 Å²	115	150.2 Å²	150.2	75%	0.747	76%	0.76	S	S	*	*			trans	-74.2	100.3	177.9	30.9	-33.4	0	0	0	109.8	Q77	P75-Q77 PolarHBondContact O-N 3.29Å; P75-Q77 VanDerWaalsContact O-N 3.11Å
76	Q	26.6	Very low	26.1	Very low	186 Å²	186	151.4 Å²	151.4	87%	0.869	77%	0.766	S	S	*	*			trans	-63.3	116.1	162.7	-78.4	-163.4	-20.9	0	0	109	E74 F78	E74-Q76 PolarHBondContact O-N 3.48Å; Q76-F78 PolarHBondContact O-N 3.22Å; Q76-F78 VanDerWaalsContact O-N 3.15Å
77	Q	26.1	Very low	25.7	Very low	151 Å²	151	151 Å²	151	71%	0.706	76%	0.764	S	S	*	*			trans	-66	108.4	-170	-69.9	154.6	-86.2	0	0	111.6	P75 E79	P75-Q77 PolarHBondContact O-N 3.29Å; P75-Q77 VanDerWaalsContact O-N 3.11Å; Q77-E79 HydrophobicContact CB-CB 4.23Å; Q77-E79 HydrophobicContact CB-CG 4.1Å; Q77-E79 HydrophobicContact CG-CG 4.47Å; Q77-E79 PolarHBondContact NE2-OE2 3.3Å; Q77-E79 PolarHBondContact O-N 2.89Å
78	F	23.7	Very low	25.8	Very low	219 Å²	219	147.5 Å²	147.5	96%	0.961	76%	0.759	S	S	*	*			trans	-77	62.3	153.7	-94.3	-85.2	0	0	0	109.7	Q76	Q76-F78 PolarHBondContact O-N 3.22Å; Q76-F78 VanDerWaalsContact O-N 3.15Å
79	E	25.2	Very low	25.9	Very low	137 Å²	137	151.4 Å²	151.4	64%	0.64	77%	0.768	S	S	*	*			trans	-96.8	107.7	176	-78.3	-168.2	119.7	0	0	112	Q77	Q77-E79 HydrophobicContact CB-CB 4.23Å; Q77-E79 HydrophobicContact CB-CG 4.1Å; Q77-E79 HydrophobicContact CG-CG 4.47Å; Q77-E79 PolarHBondContact NE2-OE2 3.3Å; Q77-E79 PolarHBondContact O-N 2.89Å
80	S	26.1	Very low	25.8	Very low	99 Å²	99	150.8 Å²	150.8	69%	0.692	77%	0.769	S	S	*	*			trans	47.9	110.1	148.8	55.5	0	0	0	0	119.5	P82	S80-P82 WeakPolarHBondContact O-CD 3.13Å
81	I	24.4	Very low	25.9	Very low	149 Å²	149	154.3 Å²	154.3	76%	0.764	78%	0.782	S	S	*	*			trans	-50.7	137	156.9	-61.3	159	0	0	0	111.5	L83	I81-L83 HydrophobicContact CG2-CD1 3.76Å; I81-L83 HydrophobicContact CG2-CG 4.14Å
82	P	24.5	Very low	26	Very low	116 Å²	116	149.1 Å²	149.1	75%	0.753	77%	0.77	S	S	*	*			trans	-114	118.8	145.6	3.5	18.5	0	0	0	110.3	S80 S84	S80-P82 WeakPolarHBondContact O-CD 3.13Å; P82-S84 PolarHBondContact O-N 3.37Å
83	L	24.6	Very low	26.1	Very low	165 Å²	165	151.2 Å²	151.2	86%	0.864	78%	0.777	S	S	*	*			trans	-74.3	114.5	170.8	-73.4	99.5	0	0	0	110.4	I81	I81-L83 HydrophobicContact CG2-CD1 3.76Å; I81-L83 HydrophobicContact CG2-CG 4.14Å
84	S	24.7	Very low	26.3	Very low	95 Å²	95	150.8 Å²	150.8	66%	0.664	78%	0.777	S	S	*	*			trans	-164.6	157	156.6	62.1	0	0	0	0	111.2	P82	P82-S84 PolarHBondContact O-N 3.37Å
85	L	26.4	Very low	26.3	Very low	143 Å²	143	149.4 Å²	149.4	75%	0.749	77%	0.774	S	S	*	*	S	Bend	trans	60.3	102.5	167.8	-50.9	179.9	0	0	0	115.1
86	F	28.2	Very low	26.5	Very low	172 Å²	172	150.4 Å²	150.4	75%	0.754	78%	0.777	S	S	*	*			cis	-150.5	136.9	24.2	-95.5	-92.2	0	0	0	112.7	I88	F86-I88 HydrophobicContact CD1-CD1 4.47Å
87	N	24.1	Very low	26.6	Very low	152 Å²	152	147.2 Å²	147.2	81%	0.813	77%	0.766	S	S	*	*			trans	-81.6	149	146.4	-81.1	-38.6	0	0	0	108.8
88	I	29.6	Very low	26.8	Very low	157 Å²	157	145.9 Å²	145.9	81%	0.805	76%	0.764	S	S	*	*			trans	-159.1	150.1	139.3	-105.1	151.3	0	0	0	110.6	F86	F86-I88 HydrophobicContact CD1-CD1 4.47Å
89	Q	28.4	Very low	27.1	Very low	171 Å²	171	143.4 Å²	143.4	80%	0.799	76%	0.755	S	S	*	*			trans	-66.6	159.2	-164.5	-122.8	73.3	-12.6	0	0	116.4
90	K	25.6	Very low	27.1	Very low	185 Å²	185	145.9 Å²	145.9	80%	0.804	76%	0.76	S	S	*	*			trans	-60.9	155.9	157.7	-57.6	177.3	176.6	-175.8	0	112.1
91	Q	30.4	Very low	27.2	Very low	193 Å²	193	150.8 Å²	150.8	90%	0.902	77%	0.765	S	S	*	*			trans	-150.5	167.4	141.1	-109.6	163.7	21.3	0	0	110
92	N	26.6	Very low	27.4	Very low	120 Å²	120	149.5 Å²	149.5	64%	0.642	76%	0.764	S	S	*	*			trans	-125.4	155.8	-152.6	-24.1	-49.8	0	0	0	114.6
93	D	26.9	Very low	27.5	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	77%	0.765	S	S	*	*			trans	61.9	170.8	146.5	-51.4	-30.8	0	0	0	118.9
94	P	30.7	Very low	27.8	Very low	123 Å²	123	149.3 Å²	149.3	80%	0.799	77%	0.766	S	S	*	*			cis	-128.9	176.5	-6.6	24.3	-0.1	0	0	0	116.9
95	I	25.1	Very low	28	Very low	143 Å²	143	147.6 Å²	147.6	73%	0.733	76%	0.763	S	S	*	*			trans	-53.6	139.1	172.4	-59.2	144.9	0	0	0	116
96	V	29.7	Very low	28.2	Very low	136 Å²	136	147.8 Å²	147.8	82%	0.824	77%	0.765	S	S	*	*			trans	-150.8	118.9	133.2	-176.8	0	0	0	0	106.2
97	N	27.4	Very low	28.2	Very low	118 Å²	118	146.4 Å²	146.4	63%	0.631	77%	0.765	S	S	*	*				92.4	143.6	54.6	-109.9	67.7	0	0	0	115.4
98	D	31	Very low	28.6	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	76%	0.763	S	S	*	*			trans	73.2	141.9	162.7	-46.6	-24.1	0	0	0	118.7
99	E	28.8	Very low	28.5	Very low	166 Å²	166	144.5 Å²	144.5	78%	0.776	76%	0.756	S	S	*	*			cis	-156.6	174.4	-12.8	-117.6	-165	159.1	0	0	113
100	Y	26.5	Very low	28.6	Very low	189 Å²	189	141.6 Å²	141.6	74%	0.741	75%	0.746	S	S	*	*			trans	-46.4	156.3	178.8	-71.4	-104.7	0	0	0	116.6
101	Y	27.3	Very low	28.8	Very low	203 Å²	203	138 Å²	138	80%	0.796	74%	0.735	S	S	*	*				-170.5	155.5	72.5	-106.1	-82.2	0	0	0	115.8
102	V	28.5	Very low	28.8	Very low	122 Å²	122	134.5 Å²	134.5	74%	0.739	72%	0.723	S	S	*	*			trans	-119.4	154.5	166.3	174.6	0	0	0	0	108.6
103	S	28	Very low	29	Very low	113 Å²	113	136 Å²	136	79%	0.79	73%	0.726	S	S	*	*			trans	-153.2	130.8	166.7	-72.6	0	0	0	0	113
104	D	29.6	Very low	29	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	71%	0.714	S	S	*	*			trans	-89.7	173.4	177.8	-64	-80.5	0	0	0	113.6
105	G	29.4	Very low	29	Very low	59 Å²	59	131.5 Å²	131.5	61%	0.608	70%	0.701	S	S	*	*			trans	160.1	130.9	165	0	0	0	0	0	111.5
106	N	30.9	Very low	29.1	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	69%	0.693	S	S	*	*			cis	-139.4	141.8	3.6	-75.3	-71.9	0	0	0	108.6
107	L	28.1	Very low	29.1	Very low	143 Å²	143	128.4 Å²	128.4	75%	0.749	67%	0.669	S	S	*	*				71.9	152	58.8	-82.4	170.9	0	0	0	114.6
108	L	31.3	Very low	29	Very low	148 Å²	148	126.8 Å²	126.8	78%	0.775	66%	0.66	S	S	*	*			trans	74.4	95.5	-173.2	-52.7	171.3	0	0	0	113.9
109	N	27.8	Very low	28.8	Very low	122 Å²	122	126.2 Å²	126.2	65%	0.652	66%	0.656	S	S	*	*			cis	53.2	121.3	20.2	-164.6	42	0	0	0	116
110	N	30.4	Very low	28.6	Very low	110 Å²	110	125.6 Å²	125.6	59%	0.588	66%	0.657	S	S	*	*			trans	169.4	109	143.1	-88.5	-14.5	0	0	0	105.8
111	N	30.2	Very low	28.6	Very low	110 Å²	110	121.3 Å²	121.3	59%	0.588	65%	0.653	S	S	*	*				91.5	139.3	94	-69.2	-2.8	0	0	0	110.7
112	N	30.9	Very low	28.5	Very low	119 Å²	119	118.2 Å²	118.2	64%	0.636	66%	0.655	S	S	*	*			cis	-139.5	147.2	5.9	-115.2	0.7	0	0	0	110
113	H	30.6	Very low	28.3	Very low	152 Å²	152	121.3 Å²	121.3	70%	0.704	66%	0.661	S	S	*	*				47.1	103.8	105.2	-85	-92.7	0	0	0	112.6
114	S	27.9	Very low	28.2	Very low	79 Å²	79	121.2 Å²	121.2	55%	0.552	66%	0.66	S	S	*	*				76.5	168.3	73.1	76.2	0	0	0	0	111.7
115	D	29.2	Very low	27.9	Very low	96 Å²	96	123.2 Å²	123.2	51%	0.513	66%	0.657	S	S	.	*			cis	-124.8	-153.7	3.5	-67.9	-90.3	0	0	0	109.3
116	Y	27.2	Very low	27.8	Very low	144 Å²	144	125.7 Å²	125.7	57%	0.565	66%	0.662	S	S	*	*			cis	-165.1	162.9	16.2	-99.5	-45.6	0	0	0	106.4	T718 N719	Y116-T718 WeakPolarHBondContact CB-O 3.49Å; Y116-T718 WeakPolarHBondContact CD2-O 3.38Å; Y116-N719 WeakPolarHBondContact CD2-O 3.24Å
117	H	29.4	Very low	27.6	Very low	70 Å²	70	127.9 Å²	127.9	32%	0.324	67%	0.666	S	S	.	*			cis	-161	175.4	13.4	-141	-79	0	0	0	110.4	E716 N717	H117-E716 PolarHBondContact CE1-O 2.89Å; H117-E716 PolarHBondContact ND1-O 3.47Å; H117-N717 VanDerWaalsContact CB-C 3.43Å; H117-N717 PolarHBondContact CD2-O 3.48Å; H117-N717 PolarHBondContact CE1-N 3.19Å; H117-N717 VanDerWaalsContact CE1-N 3.27Å; H117-N717 PolarHBondContact ND1-N 3.43Å; H117-N717 VanDerWaalsContact ND1-N 3.11Å; H117-N717 PolarHBondContact NE2-O 3.46Å
118	N	27	Very low	27.4	Very low	83 Å²	83	130.3 Å²	130.3	44%	0.444	67%	0.666	S	S	.	*			trans	81.3	97.6	166.5	-46.8	-16.4	0	0	0	115.1	E716 N717	N118-E716 WeakPolarHBondContact OD1-CA 3.39Å; N118-E716 PolarHBondContact OD1-N 3.07Å; N118-E716 PolarHBondContact OD1-O 3.41Å; N118-N717 WeakPolarHBondContact OD1-CA 3.37Å; N118-N717 PolarHBondContact OD1-N 3.46Å
119	I	25.6	Very low	27.1	Very low	113 Å²	113	128.9 Å²	128.9	58%	0.579	67%	0.666	S	S	*	*			cis	66.6	122.8	16.3	-56.3	172.8	0	0	0	111.3
120	L	24.9	Very low	27	Very low	153 Å²	153	127.4 Å²	127.4	80%	0.801	66%	0.661	S	S	*	*			cis	-159.7	-154.2	-5.2	-139.3	59.1	0	0	0	106
121	P	25.7	Very low	26.7	Very low	99 Å²	99	132 Å²	132	64%	0.643	68%	0.676	S	S	*	*			cis	-131.7	157	-34.1	37.6	-21.7	0	0	0	115.9
122	T	25.5	Very low	26.5	Very low	137 Å²	137	136.6 Å²	136.6	84%	0.84	69%	0.686	S	S	*	*			trans	175.1	118.9	142.7	34.8	0	0	0	0	106.3
123	Q	24.5	Very low	26.2	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	69%	0.693	S	S	*	*			cis	65.8	79.9	46	-67.8	-165	-16.3	0	0	116.2
124	S	26.3	Very low	26	Very low	110 Å²	110	139 Å²	139	77%	0.769	70%	0.699	S	S	*	*			trans	-166.7	95.4	144.9	57.2	0	0	0	0	112.9
125	Y	23.9	Very low	25.8	Very low	206 Å²	206	143 Å²	143	81%	0.808	71%	0.713	S	S	*	*			trans	19.3	112.4	157.6	-61.5	-87.3	0	0	0	121.2
126	P	26.9	Very low	25.7	Very low	111 Å²	111	144.1 Å²	144.1	72%	0.721	72%	0.724	S	S	*	*			trans	-80.8	115.6	148.7	32.2	-28.8	0	0	0	110.2	Y128	P126-Y128 PolarHBondContact O-N 3Å
127	F	26	Very low	25.6	Very low	193 Å²	193	145.6 Å²	145.6	85%	0.846	73%	0.733	S	S	*	*			trans	-77.9	117.7	172.6	-101.5	-94.4	0	0	0	110.8
128	Y	25	Very low	25.4	Very low	193 Å²	193	149.5 Å²	149.5	76%	0.757	76%	0.756	S	S	*	*			trans	-77.1	149.7	166.6	-80.7	-96	0	0	0	110.6	P126	P126-Y128 PolarHBondContact O-N 3Å
129	P	25.1	Very low	25.4	Very low	119 Å²	119	151.2 Å²	151.2	77%	0.773	77%	0.77	S	S	*	*				-113.4	117.9	103.3	31.4	-32.8	0	0	0	110.5
130	V	24.2	Very low	25.4	Very low	91 Å²	91	154.7 Å²	154.7	55%	0.552	78%	0.777	S	S	*	*				66.1	103.9	75	176	0	0	0	0	111	Y132	V130-Y132 HydrophobicContact CG1-CD2 3.56Å; V130-Y132 HydrophobicContact CG1-CE2 4.17Å
131	K	25.5	Very low	25.5	Very low	205 Å²	205	155.6 Å²	155.6	89%	0.891	78%	0.782	S	S	*	*			trans	-78.6	132.2	156.5	-67.3	-178.4	178.5	-179.5	0	107.9
132	Y	24.9	Very low	25.4	Very low	207 Å²	207	153.9 Å²	153.9	81%	0.812	77%	0.772	S	S	*	*			trans	-129	165.1	159.4	-109.1	-73.6	0	0	0	110.1	V130	V130-Y132 HydrophobicContact CG1-CD2 3.56Å; V130-Y132 HydrophobicContact CG1-CE2 4.17Å
133	N	24.9	Very low	25.6	Very low	146 Å²	146	154.2 Å²	154.2	78%	0.781	77%	0.768	S	S	*	*			trans	-90	176.6	-155.2	-69.1	-26.9	0	0	0	115.1
134	E	25.9	Very low	25.7	Very low	176 Å²	176	152.5 Å²	152.5	82%	0.822	76%	0.76	S	S	*	*			trans	-50.4	135.7	166.3	-52.7	178.8	114.2	0	0	112.8
135	L	24	Very low	25.6	Very low	162 Å²	162	154 Å²	154	85%	0.848	76%	0.764	S	S	*	*			trans	168.5	93.4	155.1	-94.6	155.4	0	0	0	104.8
136	T	27.2	Very low	25.8	Very low	121 Å²	121	148.5 Å²	148.5	74%	0.742	76%	0.756	S	S	*	*				-140.2	107.7	73	37.5	0	0	0	0	114.1	V139	T136-V139 HydrophobicContact CG2-CG2 4.4Å
137	K	25.4	Very low	25.6	Very low	174 Å²	174	148.2 Å²	148.2	76%	0.757	76%	0.757	S	S	*	*	S	Bend		-82.2	165.9	128.8	-78.7	171.4	179.6	159.6	0	107.9
138	D	25	Very low	25.7	Very low	153 Å²	153	148.3 Å²	148.3	82%	0.818	76%	0.757	S	S	*	*			trans	64.8	57.3	173	-54.5	-23.2	0	0	0	116.6
139	V	25.9	Very low	25.7	Very low	119 Å²	119	146.2 Å²	146.2	72%	0.721	76%	0.759	S	S	*	*	S	Bend	trans	-117.9	115.8	143.8	178.5	0	0	0	0	109.3	T136	T136-V139 HydrophobicContact CG2-CG2 4.4Å
140	Y	26.2	Very low	25.8	Very low	186 Å²	186	148.8 Å²	148.8	73%	0.729	76%	0.758	S	S	*	*			trans	66	73.5	166.1	-103.8	-116	0	0	0	119.8	S142	Y140-S142 WeakPolarHBondContact CD1-OG 3.08Å; Y140-S142 WeakPolarHBondContact CE1-OG 3.38Å; Y140-S142 PolarHBondContact O-N 3.5Å
141	N	26.5	Very low	25.9	Very low	171 Å²	171	150.5 Å²	150.5	91%	0.914	76%	0.764	S	S	*	*			trans	-73.6	71.4	148.7	-119.9	-34	0	0	0	110.9
142	S	25.2	Very low	26.1	Very low	63 Å²	63	147.4 Å²	147.4	44%	0.441	76%	0.757	S	S	.	*			trans	-168.8	141	158.8	61	0	0	0	0	107.7	Y140	Y140-S142 WeakPolarHBondContact CD1-OG 3.08Å; Y140-S142 WeakPolarHBondContact CE1-OG 3.38Å; Y140-S142 PolarHBondContact O-N 3.5Å
143	I	28.6	Very low	26.4	Very low	144 Å²	144	142.7 Å²	142.7	74%	0.738	75%	0.746	S	S	*	*			cis	-133.6	150.1	42.9	-71.4	163.9	0	0	0	113
144	Q	28	Very low	26.5	Very low	153 Å²	153	142 Å²	142	72%	0.715	74%	0.742	S	S	*	*			trans	-24	139.9	162.5	-64.6	140.9	-18.9	0	0	115.6
145	T	23.5	Very low	26.7	Very low	140 Å²	140	140.2 Å²	140.2	86%	0.859	74%	0.737	S	S	*	*				57.2	59.1	58.2	76.4	0	0	0	0	115.7
146	S	27.2	Very low	27	Very low	91 Å²	91	137.5 Å²	137.5	64%	0.636	72%	0.72	S	S	*	*			trans	-151	122.7	150.3	54.8	0	0	0	0	108.1
147	S	24.2	Very low	27	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	72%	0.716	S	S	*	*			cis	71.5	57.2	43.7	87.7	0	0	0	0	115.2
148	F	26.6	Very low	27.1	Very low	194 Å²	194	137.1 Å²	137.1	85%	0.851	72%	0.72	S	S	*	*			trans	-152	112.1	149.8	-76.3	-66.8	0	0	0	105.6
149	D	25.7	Very low	27.5	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	71%	0.712	S	S	*	*				86	159.3	57.9	-140.7	-14.1	0	0	0	113
150	K	26.3	Very low	27.7	Very low	174 Å²	174	138.9 Å²	138.9	76%	0.757	72%	0.72	S	S	*	*			trans	-91.9	161.8	-151.5	-62.8	172.7	-178.5	170.2	0	116.3
151	N	27.2	Very low	27.6	Very low	127 Å²	127	140.7 Å²	140.7	68%	0.679	73%	0.728	S	S	*	*			trans	62.9	122.9	152.8	-63	-2.6	0	0	0	119.4
152	D	30.5	Very low	27.6	Very low	139 Å²	139	141.3 Å²	141.3	74%	0.743	73%	0.727	S	S	*	*			trans	169.4	144.7	144.3	-98.9	-16	0	0	0	108.2
153	L	30.6	Very low	27.6	Very low	109 Å²	109	144.6 Å²	144.6	57%	0.571	74%	0.74	S	S	*	*			cis	-159.5	160.2	-23.9	-164	67.8	0	0	0	107.1	E932	L153-E932 HydrophobicContact CD1-CG 4.4Å; L153-E932 WeakPolarHBondContact CD1-OE1 3.35Å; L153-E932 WeakPolarHBondContact CG-OE1 3.13Å
154	D	26.4	Very low	27.6	Very low	132 Å²	132	143.6 Å²	143.6	71%	0.706	74%	0.736	S	S	*	*			trans	-127.9	119.6	-168.6	178.9	31.3	0	0	0	113.5
155	I	31.2	Very low	27.6	Very low	138 Å²	138	142.2 Å²	142.2	71%	0.708	73%	0.734	S	S	*	*			trans	-130.1	113.6	-176.2	-60.1	-175.3	0	0	0	113.8
156	Q	29.3	Very low	27.8	Very low	105 Å²	105	141.6 Å²	141.6	49%	0.491	72%	0.724	S	S	.	*			trans	-51.9	166.5	169.7	-50.4	171.3	-5.2	0	0	114	H930	Q156-H930 PolarHBondContact NE2-CE1 3.35Å; Q156-H930 PolarHBondContact NE2-NE2 3.1Å
157	T	27	Very low	28	Very low	108 Å²	108	145.2 Å²	145.2	66%	0.663	73%	0.73	S	S	*	*				-176.8	143.6	59.6	15.6	0	0	0	0	115.3
158	Q	27.3	Very low	28.3	Very low	178 Å²	178	146.9 Å²	146.9	83%	0.832	73%	0.726	S	S	*	*			trans	72.8	150.7	139.2	-65.8	-73.6	-33.8	0	0	122.7
159	P	35.2	Very low	28.4	Very low	101 Å²	101	144 Å²	144	66%	0.656	72%	0.72	S	S	*	*			trans	-122.3	-178.4	-169.8	44.7	-32.2	0	0	0	115.6
160	K	29.6	Very low	28.6	Very low	208 Å²	208	141.9 Å²	141.9	90%	0.904	71%	0.708	S	S	*	*			trans	-164.7	157.1	150.8	-111.1	151	-170.6	170	0	115.1
161	Y	23.3	Very low	28.9	Very low	224 Å²	224	141.4 Å²	141.4	88%	0.878	71%	0.706	S	S	*	*			trans	-84.1	152.2	176.4	-71.8	-110.9	0	0	0	112.4
162	M	26.6	Very low	28.9	Very low	184 Å²	184	139.9 Å²	139.9	91%	0.906	71%	0.705	S	S	*	*				176.7	124	114.2	-98.4	178.7	147.4	0	0	115.1
163	N	25.9	Very low	28.7	Very low	133 Å²	133	140 Å²	140	71%	0.711	71%	0.705	S	S	*	*			trans	26.2	140.9	136.8	-95.6	43.9	0	0	0	125.2
164	D	27.6	Very low	28.5	Very low	122 Å²	122	143.1 Å²	143.1	65%	0.652	72%	0.716	S	S	*	*				104.7	125.2	126.5	-75.5	-22.6	0	0	0	124.8
165	N	28.5	Very low	28.7	Very low	124 Å²	124	143.9 Å²	143.9	66%	0.663	72%	0.72	S	S	*	*			trans	87.3	96.3	138.2	-66.2	-29.4	0	0	0	124.9
166	I	28.5	Very low	28.5	Very low	127 Å²	127	143.5 Å²	143.5	65%	0.651	73%	0.726	S	S	*	*				47.1	122.1	115.2	-52.9	160.2	0	0	0	119.9
167	H	31	Very low	28.4	Very low	168 Å²	168	143.9 Å²	143.9	78%	0.778	74%	0.735	S	S	*	*				-175.2	115.1	115.6	-110.4	-81.3	0	0	0	117.1
168	H	30.3	Very low	28.4	Very low	141 Å²	141	144.6 Å²	144.6	65%	0.653	74%	0.74	S	S	*	*			trans	43.2	143.1	133.1	-85.2	-86.7	0	0	0	126.9
169	N	28.6	Very low	28.2	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	74%	0.739	S	S	*	*			trans	75.7	146.7	140.3	-74.7	12.4	0	0	0	120.1
170	D	30.6	Very low	27.8	Very low	105 Å²	105	144.7 Å²	144.7	56%	0.561	75%	0.746	S	S	*	*			cis	-161.7	168.4	-19.1	-149	-4.1	0	0	0	111.4
171	K	31.1	Very low	27.5	Very low	164 Å²	164	146 Å²	146	71%	0.713	75%	0.747	S	S	*	*			trans	17	146	148.5	-75.3	167.3	-158	79.8	0	121.1
172	S	27.8	Very low	27.6	Very low	94 Å²	94	143.6 Å²	143.6	66%	0.657	74%	0.743	S	S	*	*			cis	173.5	176.6	16.3	46.6	0	0	0	0	114.8
173	I	25.9	Very low	27.6	Very low	143 Å²	143	145.1 Å²	145.1	73%	0.733	74%	0.74	S	S	*	*			trans	92	105.7	151.5	-71	156.8	0	0	0	121.8
174	Q	26.4	Very low	27.6	Very low	173 Å²	173	146.8 Å²	146.8	81%	0.808	74%	0.744	S	S	*	*			trans	48.9	117.2	134.9	-56.6	-177.4	-17.6	0	0	125
175	L	30.4	Very low	27.6	Very low	149 Å²	149	149 Å²	149	78%	0.78	75%	0.751	S	S	*	*				32.1	143.2	114.9	-91.4	89.5	0	0	0	121.1	T177	L175-T177 HydrophobicContact CD2-CG2 4.41Å
176	P	28.6	Very low	27.4	Very low	129 Å²	129	151.5 Å²	151.5	84%	0.838	76%	0.758	S	S	*	*				-140.4	-175	64.4	40	-22.4	0	0	0	117.7
177	T	27	Very low	27.3	Very low	113 Å²	113	152 Å²	152	69%	0.693	77%	0.767	S	S	*	*			trans	-93.1	147.4	-165.5	50.3	0	0	0	0	115.9	L175	L175-T177 HydrophobicContact CD2-CG2 4.41Å
178	T	26.1	Very low	27.1	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	76%	0.759	S	S	*	*				-170.1	130.2	120.9	20.9	0	0	0	0	114	T180	T178-T180 PolarHBondContact O-N 3.05Å
179	D	23.4	Very low	27	Very low	153 Å²	153	147.4 Å²	147.4	82%	0.818	76%	0.762	S	S	*	*			trans	40.4	68	138.1	-50.9	-16.6	0	0	0	122.3
180	T	25.7	Very low	26.8	Very low	128 Å²	128	147 Å²	147	79%	0.785	76%	0.759	S	S	*	*			trans	-155.8	121	131.9	39.7	0	0	0	0	109.3	T178	T178-T180 PolarHBondContact O-N 3.05Å
181	Y	24.8	Very low	26.6	Very low	236 Å²	236	148.9 Å²	148.9	93%	0.925	77%	0.767	S	S	*	*			trans	-142.7	125.7	170.7	-100.4	-80.4	0	0	0	112.5
182	E	25.3	Very low	26.5	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	76%	0.763	S	S	*	*			trans	-68.3	131	167.6	-59.7	165	107.6	0	0	109.5	Q184	E182-Q184 PolarHBondContact O-N 3.01Å
183	Y	26.3	Very low	26.4	Very low	216 Å²	216	148.7 Å²	148.7	85%	0.847	76%	0.763	S	S	*	*			trans	-87.3	92	170.3	-154.6	-89.3	0	0	0	109.9	Q185	Y183-Q185 PolarHBondContact O-N 3.48Å; Y183-Q185 VanDerWaalsContact O-N 3.09Å
184	Q	26	Very low	26.7	Very low	167 Å²	167	146.7 Å²	146.7	78%	0.78	75%	0.75	S	S	*	*			trans	-55.2	114.1	172	-69.6	-179.4	-21.8	0	0	109.7	E182 Q186	E182-Q184 PolarHBondContact O-N 3.01Å; Q184-Q186 PolarHBondContact O-N 3.37Å
185	Q	26.6	Very low	26.6	Very low	170 Å²	170	148.9 Å²	148.9	79%	0.794	75%	0.753	S	S	*	*			trans	-69.7	105.8	175.9	-69.5	-173.9	5.3	0	0	109.4	Y183 V187	Y183-Q185 PolarHBondContact O-N 3.48Å; Y183-Q185 VanDerWaalsContact O-N 3.09Å; Q185-V187 PolarHBondContact O-N 2.94Å
186	Q	25.5	Very low	26.5	Very low	176 Å²	176	146.4 Å²	146.4	82%	0.822	74%	0.739	S	S	*	*			trans	-63.4	106.6	164.4	-72	-175.2	-20.8	0	0	108.2	Q184 T188	Q184-Q186 PolarHBondContact O-N 3.37Å; Q186-T188 VanDerWaalsContact C-N 3.28Å; Q186-T188 PolarHBondContact O-N 3.21Å
187	V	26.3	Very low	26.3	Very low	137 Å²	137	150.4 Å²	150.4	83%	0.83	74%	0.739	S	S	*	*			trans	-72.1	85.5	179.1	-176.8	0	0	0	0	109.1	Q185	Q185-V187 PolarHBondContact O-N 2.94Å
188	T	26.6	Very low	26.3	Very low	101 Å²	101	148.5 Å²	148.5	62%	0.62	73%	0.728	S	S	*	*			trans	-70	132.1	165.5	43.8	0	0	0	0	109.1	Q186 I190	Q186-T188 VanDerWaalsContact C-N 3.28Å; Q186-T188 PolarHBondContact O-N 3.21Å; T188-I190 PolarHBondContact O-N 3.13Å
189	P	26.9	Very low	26.4	Very low	111 Å²	111	148.5 Å²	148.5	72%	0.721	73%	0.728	S	S	*	*			trans	-71.6	102.7	178.1	27.6	-33	0	0	0	109.8	I191	P189-I191 VanDerWaalsContact C-N 3.3Å; P189-I191 PolarHBondContact O-N 3.15Å
190	I	25.7	Very low	26.7	Very low	126 Å²	126	148 Å²	148	65%	0.646	73%	0.725	S	S	*	*			trans	-74.4	84.4	175.5	-55.6	178	0	0	0	108.8	T188 N192	T188-I190 PolarHBondContact O-N 3.13Å; I190-N192 VanDerWaalsContact C-N 3.32Å; I190-N192 WeakPolarHBondContact CG2-OD1 3.01Å; I190-N192 PolarHBondContact O-N 3.4Å
191	I	26.4	Very low	26.9	Very low	143 Å²	143	148 Å²	148	73%	0.733	72%	0.719	S	S	*	*			trans	-76.9	85	173.3	-55.9	177.5	0	0	0	108.5	P189 E193	P189-I191 VanDerWaalsContact C-N 3.3Å; P189-I191 PolarHBondContact O-N 3.15Å; I191-E193 PolarHBondContact O-N 3.46Å
192	N	28.5	Very low	27.1	Very low	115 Å²	115	143.6 Å²	143.6	62%	0.615	71%	0.711	S	S	*	*			trans	-76.6	104.9	173.1	-87.2	-4.1	0	0	0	110.5	I190 Q194	I190-N192 VanDerWaalsContact C-N 3.32Å; I190-N192 WeakPolarHBondContact CG2-OD1 3.01Å; I190-N192 PolarHBondContact O-N 3.4Å; N192-Q194 PolarHBondContact O-N 3.49Å
193	E	26.7	Very low	27.5	Very low	140 Å²	140	141 Å²	141	65%	0.654	70%	0.702	S	S	*	*			trans	-65.9	85.5	172	-68.9	-178.3	-177.6	0	0	111.5	I191	I191-E193 PolarHBondContact O-N 3.46Å
194	Q	31.1	Very low	27.9	Very low	100 Å²	100	139.8 Å²	139.8	47%	0.467	70%	0.701	S	S	.	*			trans	-101.2	113.3	168.2	-73.2	-164.7	-12.1	0	0	111.4	N192 L196	N192-Q194 PolarHBondContact O-N 3.49Å; Q194-L196 PolarHBondContact O-N 3.26Å
195	Y	25.1	Very low	28.1	Very low	220 Å²	220	137.5 Å²	137.5	86%	0.863	69%	0.689	S	S	*	*			trans	-63.3	109.3	176.9	-79.5	-120.1	0	0	0	110.9
196	L	28.5	Very low	28.2	Very low	96 Å²	96	137 Å²	137	50%	0.503	69%	0.69	S	S	.	*			trans	-115.8	129.3	170.9	-134	76.1	0	0	0	112	Q194 T198 I993	Q194-L196 PolarHBondContact O-N 3.26Å; L196-T198 HydrophobicContact CD2-CG2 4.26Å; L196-T198 HydrophobicContact CG-CG2 4.44Å; L196-T198 PolarHBondContact O-N 3.38Å; L196-I993 HydrophobicContact CD2-CD1 3.57Å; L196-I993 HydrophobicContact CD2-CG1 4.28Å
197	Y	24.6	Very low	28.3	Very low	213 Å²	213	134.7 Å²	134.7	84%	0.835	69%	0.688	S	S	*	*			trans	-88.3	50.5	-168	-136.2	-87	0	0	0	112
198	T	25.5	Very low	28.4	Very low	73 Å²	73	136.3 Å²	136.3	45%	0.448	68%	0.684	S	S	.	*			trans	-132.8	89.2	-162.4	49.4	0	0	0	0	114.1	L196	L196-T198 HydrophobicContact CD2-CG2 4.26Å; L196-T198 HydrophobicContact CG-CG2 4.44Å; L196-T198 PolarHBondContact O-N 3.38Å
199	T	28.8	Very low	28.7	Very low	124 Å²	124	138.8 Å²	138.8	76%	0.761	69%	0.694	S	S	*	*			trans	-169.8	115.2	145.9	11.6	0	0	0	0	110.1
200	N	29.2	Very low	29	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	70%	0.699	S	S	*	*			trans	-157.3	32.1	168.9	-110.6	-85.7	0	0	0	110.1
201	I	30.5	Very low	29	Very low	127 Å²	127	146.2 Å²	146.2	65%	0.651	71%	0.711	S	S	*	*	S	Bend	trans	-118.4	8.4	-166.7	-51.7	-177.5	0	0	0	111.5
202	L	29.9	Very low	28.9	Very low	145 Å²	145	146 Å²	146	76%	0.759	71%	0.712	S	S	*	*	S	Bend	trans	-111.2	-13.1	176.2	-86.7	158.8	0	0	0	114.7	K204	L202-K204 PolarHBondContact O-N 3.38Å
203	D	32	Very low	29.1	Very low	119 Å²	119	150.1 Å²	150.1	64%	0.636	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	32.3	-178.2	-136.7	40.8	0	0	0	112.6	K462	D203-K462 IonicContact OD2-NZ 3.56Å; D203-K462 PolarHBondContact OD2-NZ 2.93Å
204	K	34.8	Very low	29.1	Very low	189 Å²	189	152.1 Å²	152.1	82%	0.822	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.6	-5.6	-165.3	-123.7	-169.2	178.6	-163	0	117.4	L202	L202-K204 PolarHBondContact O-N 3.38Å
205	F	30.7	Very low	28.8	Very low	120 Å²	120	153.6 Å²	153.6	53%	0.526	75%	0.752	S	S	.	*	S	Bend	trans	-106	1.6	-173.6	-91.6	-74.9	0	0	0	115.5	F975	F205-F975 AromaticContact CE1-CE2 3.88Å; F205-F975 HydrophobicContact CE1-CE2 3.88Å; F205-F975 AromaticContact CE1-CZ 3.88Å; F205-F975 HydrophobicContact CE1-CZ 3.88Å
206	I	29.7	Very low	28.9	Very low	158 Å²	158	150.8 Å²	150.8	81%	0.81	75%	0.75	S	S	*	*			trans	-130.9	90.7	-179.7	-53.6	175.3	0	0	0	109.1
207	T	27.5	Very low	28.7	Very low	129 Å²	129	153 Å²	153	79%	0.791	76%	0.762	S	S	*	*	S	Bend	trans	177.5	69.5	157.3	20.7	0	0	0	0	113
208	K	28.4	Very low	28.8	Very low	170 Å²	170	149.9 Å²	149.9	74%	0.739	77%	0.765	S	S	*	*			trans	171.7	116.1	146.9	-99.6	153.7	-178.2	162.5	0	110	E560	K208-E560 IonicContact NZ-OE1 3.76Å; K208-E560 PolarHBondContact NZ-OE1 3.41Å
209	N	32.1	Very low	28.8	Very low	154 Å²	154	154.8 Å²	154.8	82%	0.824	78%	0.782	S	S	*	*			trans	179.8	113.3	139.4	-90.2	-4.1	0	0	0	110.2
210	D	34.5	Very low	28.9	Very low	155 Å²	155	155 Å²	155	83%	0.829	79%	0.789	S	S	*	*			trans	51.3	132.8	149.5	-54.8	-15.6	0	0	0	123.7
211	W	23.8	Very low	28.8	Very low	237 Å²	237	153.1 Å²	153.1	90%	0.898	79%	0.787	S	S	*	*			trans	-89.5	137.7	162.9	-77.1	22	0	0	0	110.8
212	N	25.9	Very low	28.7	Very low	140 Å²	140	154.6 Å²	154.6	75%	0.749	80%	0.797	S	S	*	*				153.5	116.4	127	-84.3	-53.5	0	0	0	112.4
213	Q	32.6	Very low	28.5	Very low	200 Å²	200	153.6 Å²	153.6	94%	0.935	79%	0.791	S	S	*	*				-179.7	165.8	123.6	-98.4	168.2	55.7	0	0	111.1
214	Q	25.2	Very low	28.2	Very low	183 Å²	183	155.5 Å²	155.5	86%	0.855	80%	0.8	S	S	*	*			trans	-122.1	139.8	-171	-55.2	163.7	-56.8	0	0	110.8
215	T	25.7	Very low	27.8	Very low	131 Å²	131	155 Å²	155	80%	0.804	80%	0.797	S	S	*	*			trans	-167.2	112.9	144	17.2	0	0	0	0	114.4
216	I	26.7	Very low	27.5	Very low	160 Å²	160	154.6 Å²	154.6	82%	0.821	81%	0.808	S	S	*	*			trans	68.3	147.7	136.4	-61.1	171	0	0	0	119.6
217	I	24	Very low	27.3	Very low	144 Å²	144	155.8 Å²	155.8	74%	0.738	81%	0.808	S	S	*	*			trans	-131.3	146.6	-168.6	-59	157.1	0	0	0	109.2
218	T	27.6	Very low	27.3	Very low	147 Å²	147	154.6 Å²	154.6	90%	0.902	80%	0.801	S	S	*	*			trans	-155.1	142.5	146.8	14.5	0	0	0	0	111.4
219	E	26.2	Very low	27.2	Very low	175 Å²	175	154.4 Å²	154.4	82%	0.818	80%	0.802	S	S	*	*			trans	-106.1	162.5	-177.5	-51.6	169.2	126.6	0	0	111.9
220	S	29.7	Very low	26.9	Very low	129 Å²	129	153 Å²	153	90%	0.902	80%	0.795	S	S	*	*				-176.9	155.7	128.9	34.6	0	0	0	0	112.5
221	S	28.4	Very low	26.5	Very low	104 Å²	104	149.9 Å²	149.9	73%	0.727	79%	0.785	S	S	*	*			trans	-139.2	158.7	-172.7	59.6	0	0	0	0	111.6
222	N	27.9	Very low	26.5	Very low	158 Å²	158	146.4 Å²	146.4	85%	0.845	78%	0.783	S	S	*	*			trans	179.6	171	160.5	-92.9	-47.7	0	0	0	110.3
223	L	25	Very low	26.4	Very low	123 Å²	123	144.3 Å²	144.3	64%	0.644	78%	0.778	S	S	*	*				-172.8	153.3	-61	-151.1	109	0	0	0	108.2	K225	L223-K225 HydrophobicContact CD2-CD 4.49Å
224	I	26.1	Very low	26	Very low	159 Å²	159	143.4 Å²	143.4	82%	0.815	77%	0.774	S	S	*	*			trans	138	124.9	161.6	-77.1	155.1	0	0	0	108.9
225	K	25.9	Very low	26	Very low	178 Å²	178	140.4 Å²	140.4	77%	0.774	77%	0.768	S	S	*	*			cis	103	94.2	22.7	-84	-172.3	167.5	171	0	116.4	L223	L223-K225 HydrophobicContact CD2-CD 4.49Å
226	C	25.2	Very low	25.8	Very low	112 Å²	112	139.4 Å²	139.4	76%	0.757	77%	0.766	S	S	*	*				-176.7	129.9	126.2	-103.2	0	0	0	0	109.4
227	K	25.2	Very low	25.7	Very low	184 Å²	184	142.3 Å²	142.3	80%	0.8	77%	0.769	S	S	*	*				66.5	132	81.4	-69.9	-165.5	176.3	-175.1	0	113.4
228	T	27.4	Very low	25.8	Very low	104 Å²	104	140.1 Å²	140.1	64%	0.638	77%	0.766	S	S	*	*			cis	-168.2	150	7.8	7.5	0	0	0	0	111.4
229	Q	26.1	Very low	26	Very low	166 Å²	166	142 Å²	142	78%	0.776	76%	0.762	S	S	*	*			trans	47.5	141.1	140.7	-65.9	169.8	-19.3	0	0	120.3
230	N	25.8	Very low	26	Very low	125 Å²	125	140.6 Å²	140.6	67%	0.668	76%	0.76	S	S	*	*			cis	-159.2	143.2	13.9	-111.2	-7.3	0	0	0	113.7
231	S	26	Very low	26	Very low	88 Å²	88	140 Å²	140	62%	0.615	76%	0.756	S	S	*	*			trans	-19.1	138.4	159.4	57.2	0	0	0	0	122.3
232	L	24.8	Very low	26.1	Very low	165 Å²	165	141 Å²	141	86%	0.864	76%	0.758	S	S	*	*				-172.3	-178.7	120.9	-124.7	74.8	0	0	0	111.8
233	C	23.3	Very low	26.1	Very low	96 Å²	96	136.9 Å²	136.9	65%	0.649	75%	0.752	S	S	*	*				-150	159.8	-103.9	-85.7	0	0	0	0	111.1
234	H	24.1	Very low	26.1	Very low	181 Å²	181	140.4 Å²	140.4	84%	0.838	76%	0.763	S	S	*	*			trans	65.9	157.2	175.8	-65.7	-74.5	0	0	0	115
235	T	24.5	Very low	26.3	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	76%	0.762	S	S	*	*			cis	-129.4	161.8	22.3	54.8	0	0	0	0	114.2
236	S	22.4	Very low	26.2	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	76%	0.763	S	S	*	*			trans	-117.5	124.9	175.1	56.6	0	0	0	0	110.4
237	Y	24.1	Very low	26.4	Very low	222 Å²	222	137.3 Å²	137.3	87%	0.871	76%	0.755	S	S	*	*			trans	-111.7	140.6	174.5	-97	-84.6	0	0	0	112.5
238	S	25.8	Very low	26.6	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	75%	0.746	S	S	*	*			trans	-151.5	171.7	176.4	66.1	0	0	0	0	110.2
239	K	31.5	Very low	26.6	Very low	187 Å²	187	138.6 Å²	138.6	81%	0.813	76%	0.76	S	S	*	*			trans	91.5	152.4	-175.5	-54.4	167	-177.1	172.5	0	112.8
240	N	27.8	Very low	26.9	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	76%	0.759	S	S	*	*			cis	-134	147.3	22.7	-91.3	-64	0	0	0	115.7
241	S	29.2	Very low	27	Very low	118 Å²	118	138.1 Å²	138.1	83%	0.825	76%	0.763	S	S	*	*			trans	-133.3	128.3	143	69.3	0	0	0	0	107.8
242	T	29.9	Very low	27.2	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	76%	0.759	S	S	*	*			trans	-81.8	134.7	-160.2	38.5	0	0	0	0	115.1
243	G	28.4	Very low	27.4	Very low	71 Å²	71	139 Å²	139	73%	0.732	76%	0.757	S	S	*	*			trans	-137.8	126.7	158.8	0	0	0	0	0	108	I245	G243-I245 PolarHBondContact O-N 2.99Å
244	F	24.8	Very low	27.5	Very low	196 Å²	196	138.5 Å²	138.5	86%	0.86	75%	0.745	S	S	*	*			trans	-77.1	122.6	-167.7	-72.2	-96.4	0	0	0	113
245	I	30.1	Very low	27.6	Very low	157 Å²	157	138.3 Å²	138.3	81%	0.805	74%	0.744	S	S	*	*			trans	-139.2	131.1	154.7	-58	-178.6	0	0	0	106.3	G243	G243-I245 PolarHBondContact O-N 2.99Å
246	C	23.6	Very low	27.8	Very low	118 Å²	118	139 Å²	139	80%	0.797	74%	0.739	S	S	*	*			trans	-87.3	140.8	-179.9	-54.1	0	0	0	0	111.2
247	L	28.7	Very low	28	Very low	110 Å²	110	140.9 Å²	140.9	58%	0.576	73%	0.729	S	S	*	*			trans	-133	160.7	166.8	-67.3	175.4	0	0	0	108.6	L253	L247-L253 HydrophobicContact CD2-CD1 3.97Å
248	N	30	Very low	28.3	Very low	117 Å²	117	134.9 Å²	134.9	63%	0.626	71%	0.712	S	S	*	*			trans	-100	177.5	-168.4	61.6	-18.9	0	0	0	113.7	N250 N251	N248-N250 PolarHBondContact O-N 2.83Å; N248-N251 PolarHBondContact O-N 3.25Å
249	E	27.5	Very low	28.7	Very low	197 Å²	197	132.1 Å²	132.1	92%	0.921	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-9.5	-153.1	-64.2	167.5	162.7	0	0	116.7
250	N	32.8	Very low	28.6	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	9.4	174.5	-72.3	-36.1	0	0	0	114.2	N248 H252	N248-N250 PolarHBondContact O-N 2.83Å; N250-H252 PolarHBondContact O-N 3.26Å
251	N	28.5	Very low	28.5	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	69%	0.687	S	S	*	*			trans	54.9	11.2	179	-78.8	-50.7	0	0	0	116.6	N248	N248-N251 PolarHBondContact O-N 3.25Å
252	H	29.3	Very low	28.4	Very low	117 Å²	117	130.6 Å²	130.6	54%	0.542	68%	0.681	S	S	.	*			trans	-84.2	140.1	-175.6	-108.1	-125.3	0	0	0	113.5	N250 E254	N250-H252 PolarHBondContact O-N 3.26Å; H252-E254 IonicContact CE1-OE2 2.75Å; H252-E254 PolarHBondContact CE1-OE2 3.19Å; H252-E254 VanDerWaalsContact CE1-OE2 3.27Å; H252-E254 IonicContact ND1-OE2 3.11Å; H252-E254 PolarHBondContact ND1-OE2 2.98Å
253	L	28.5	Very low	28.3	Very low	154 Å²	154	128.7 Å²	128.7	81%	0.806	67%	0.673	S	S	*	*			trans	-129.8	61.2	160.6	-156.4	85.9	0	0	0	109.8	L247	L247-L253 HydrophobicContact CD2-CD1 3.97Å
254	E	26.3	Very low	28.3	Very low	86 Å²	86	132.1 Å²	132.1	40%	0.402	67%	0.674	S	S	.	*			trans	-71.1	144.7	169.6	-115.4	179.2	128.8	0	0	110	H252 R257	H252-E254 IonicContact CE1-OE2 2.75Å; H252-E254 PolarHBondContact CE1-OE2 3.19Å; H252-E254 VanDerWaalsContact CE1-OE2 3.27Å; H252-E254 IonicContact ND1-OE2 3.11Å; H252-E254 PolarHBondContact ND1-OE2 2.98Å; E254-R257 IonicContact OE1-CZ 3.84Å; E254-R257 IonicContact OE1-NH2 2.99Å; E254-R257 PolarHBondContact OE1-NH2 3.39Å
255	H	26.5	Very low	28.4	Very low	176 Å²	176	129.8 Å²	129.8	82%	0.815	67%	0.67	S	S	*	*				-140.5	138.7	65.8	-86.1	53.3	0	0	0	114.5
256	Q	27.7	Very low	28.3	Very low	135 Å²	135	128.4 Å²	128.4	63%	0.631	66%	0.664	S	S	*	*			trans	-87.3	-163.4	148.8	-59.5	-178.4	-33.1	0	0	108.5
257	R	26.2	Very low	28.4	Very low	149 Å²	149	127.7 Å²	127.7	56%	0.562	66%	0.66	S	S	*	*				174.9	123.3	52.1	-171.3	-172.7	-59.1	-155.2	1.6	112.9	E254 D877	E254-R257 IonicContact OE1-CZ 3.84Å; E254-R257 IonicContact OE1-NH2 2.99Å; E254-R257 PolarHBondContact OE1-NH2 3.39Å; R257-D877 PolarHBondContact N-O 2.9Å; R257-D877 WeakPolarHBondContact O-CB 3.33Å
258	L	31.2	Very low	28.4	Very low	96 Å²	96	128.5 Å²	128.5	50%	0.503	66%	0.66	S	S	.	*			trans	7.1	159.2	155.3	-62.2	128.5	0	0	0	122.5	N875 L876 D877	L258-N875 VanDerWaalsContact CD2-O 3.3Å; L258-N875 WeakPolarHBondContact CD2-O 3.42Å; L258-N875 WeakPolarHBondContact CG-O 3.47Å; L258-L876 WeakPolarHBondContact CA-O 3.05Å; L258-D877 VanDerWaalsContact C-OD2 3.3Å
259	P	34	Very low	28.4	Very low	40 Å²	40	129.2 Å²	129.2	26%	0.26	66%	0.663	S	S	.	*			cis	-148.3	-154.9	-34.3	43.3	-22.9	0	0	0	114.6	D877	P259-D877 WeakPolarHBondContact CA-OD2 3.19Å; P259-D877 VanDerWaalsContact N-OD2 3.07Å
260	H	29.2	Very low	28.6	Very low	155 Å²	155	123.2 Å²	123.2	72%	0.718	64%	0.641	S	S	*	*			trans	153	137.3	130.8	-71.2	-62.6	0	0	0	109.7
261	L	26.1	Very low	28.4	Very low	148 Å²	148	122 Å²	122	78%	0.775	63%	0.634	S	S	*	*			cis	68.3	133	42.5	-73.2	155.7	0	0	0	112.8
262	T	27.2	Very low	28.5	Very low	113 Å²	113	120.7 Å²	120.7	69%	0.693	63%	0.626	S	S	*	*			cis	-143.1	180	26.2	54.9	0	0	0	0	114.1
263	S	27.7	Very low	28.4	Very low	86 Å²	86	119 Å²	119	60%	0.601	63%	0.628	S	S	*	*			trans	42.9	143.2	140.5	63	0	0	0	0	122.5
264	D	27.6	Very low	28.4	Very low	143 Å²	143	117.6 Å²	117.6	77%	0.765	62%	0.621	S	S	*	*			cis	-169	158.2	-11.4	-104.6	-46.3	0	0	0	109.9
265	L	28.1	Very low	28.5	Very low	146 Å²	146	122.4 Å²	122.4	76%	0.764	64%	0.637	S	S	*	*			trans	59	146.7	155.4	-73.5	163.2	0	0	0	123.1
266	D	27.4	Very low	28.6	Very low	129 Å²	129	117.2 Å²	117.2	69%	0.69	62%	0.62	S	S	*	*			trans	60.3	95.1	151.1	-68.7	-39.7	0	0	0	123.7
267	C	26.7	Very low	28.5	Very low	103 Å²	103	116.2 Å²	116.2	70%	0.696	62%	0.618	S	S	*	*				71.9	-159.7	122.3	-63.1	0	0	0	0	117.7
268	H	28.2	Very low	28.7	Very low	127 Å²	127	117.7 Å²	117.7	59%	0.588	63%	0.629	S	S	*	*				-161.4	110.3	-122.7	-106	35.8	0	0	0	114.3	I895	H268-I895 VanDerWaalsContact C-CG2 3.41Å; H268-I895 HydrophobicContact CB-CB 4.36Å; H268-I895 HydrophobicContact CB-CD1 4.19Å; H268-I895 HydrophobicContact CB-CG1 4.21Å; H268-I895 HydrophobicContact CB-CG2 3.32Å; H268-I895 WeakPolarHBondContact CD2-CG2 3.35Å
269	I	29.4	Very low	28.6	Very low	132 Å²	132	117.4 Å²	117.4	68%	0.677	64%	0.635	S	S	*	*			trans	-145.2	154.7	178.3	-61.6	-176.2	0	0	0	112.7	Y894	I269-Y894 WeakPolarHBondContact O-CA 3.25Å; I269-Y894 WeakPolarHBondContact O-CB 3.43Å; I269-Y894 WeakPolarHBondContact O-CD2 3.42Å
270	P	31.9	Very low	28.4	Very low	71 Å²	71	124.4 Å²	124.4	46%	0.461	66%	0.661	S	S	.	*			trans	-96.7	147.9	-162	-9.1	30.4	0	0	0	124.2	Y894	P270-Y894 VanDerWaalsContact C-CB 3.4Å; P270-Y894 VanDerWaalsContact CA-O 3.28Å; P270-Y894 WeakPolarHBondContact CA-O 3.33Å
271	N	29.6	Very low	28.3	Very low	115 Å²	115	122.5 Å²	122.5	62%	0.615	66%	0.656	S	S	*	*			trans	42.5	147.6	169.4	-81	-79.7	0	0	0	126.2	Y894	N271-Y894 PolarHBondContact N-O 3.08Å
272	L	29.1	Very low	28.5	Very low	113 Å²	113	121.8 Å²	121.8	59%	0.592	65%	0.653	S	S	*	*				158.3	116.8	118.9	-103.8	97.8	0	0	0	116.9	K892	L272-K892 WeakPolarHBondContact O-CD 3.11Å; L272-K892 WeakPolarHBondContact O-CE 3.34Å; L272-K892 PolarHBondContact O-NZ 2.92Å
273	S	27.1	Very low	28.5	Very low	82 Å²	82	124.6 Å²	124.6	57%	0.573	66%	0.658	S	S	*	*			trans	44.3	143.5	137.1	67	0	0	0	0	126.2
274	D	28.5	Very low	28.6	Very low	124 Å²	124	125.5 Å²	125.5	66%	0.663	66%	0.66	S	S	*	*				99.3	123.1	126.1	-89.5	23	0	0	0	125.4
275	Y	29.5	Very low	28.6	Very low	187 Å²	187	125.2 Å²	125.2	73%	0.733	66%	0.659	S	S	*	*			trans	50.9	157.6	159.9	-68.7	-98.4	0	0	0	121
276	S	27.2	Very low	28.7	Very low	67 Å²	67	124.3 Å²	124.3	47%	0.469	66%	0.659	S	S	.	*			cis	178.4	128.7	-39.6	-101.2	0	0	0	0	111.2
277	I	27.3	Very low	28.8	Very low	115 Å²	115	122.4 Å²	122.4	59%	0.59	66%	0.656	S	S	*	*			trans	76.1	144.6	136.1	-65	169.6	0	0	0	119.7
278	K	29.5	Very low	29	Very low	180 Å²	180	125.6 Å²	125.6	78%	0.783	66%	0.661	S	S	*	*			trans	73.4	124.9	175.5	-68.2	144	-170.8	173.4	0	115.5
279	S	28.9	Very low	29.1	Very low	90 Å²	90	125.2 Å²	125.2	63%	0.629	67%	0.668	S	S	*	*			cis	99.4	136.9	16.2	82	0	0	0	0	115.3
280	K	29.4	Very low	29.2	Very low	186 Å²	186	128.5 Å²	128.5	81%	0.809	68%	0.677	S	S	*	*			trans	73.8	147.4	167.3	-63.1	-159	174.9	-170.7	0	115.2
281	N	26.9	Very low	29.1	Very low	116 Å²	116	130.6 Å²	130.6	62%	0.62	69%	0.693	S	S	*	*			cis	-167.6	177.5	-12.3	-124.7	48.4	0	0	0	109.8
282	D	30.3	Very low	29.2	Very low	133 Å²	133	131.1 Å²	131.1	71%	0.711	70%	0.701	S	S	*	*			trans	64.6	161.8	153.5	-50.9	-23.4	0	0	0	118.6
283	E	28.1	Very low	29.2	Very low	171 Å²	171	136.2 Å²	136.2	80%	0.799	71%	0.714	S	S	*	*			cis	-163.4	-177.9	-42.1	-170	165.1	-128.9	0	0	107.7
284	V	29.3	Very low	29.4	Very low	105 Å²	105	138 Å²	138	64%	0.636	72%	0.724	S	S	*	*			trans	81	102	159.6	-169.8	0	0	0	0	118.6
285	N	28.2	Very low	29.4	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	73%	0.73	S	S	*	*				36.7	140.9	123.3	-42.6	-30.4	0	0	0	119.8
286	T	29.5	Very low	29.4	Very low	126 Å²	126	136.2 Å²	136.2	77%	0.773	73%	0.732	S	S	*	*				-170.8	154.7	61	33.7	0	0	0	0	115.5
287	S	29.3	Very low	29.3	Very low	90 Å²	90	139 Å²	139	63%	0.629	75%	0.747	S	S	*	*			trans	74.9	121.8	139.4	-70.3	0	0	0	0	124.2
288	Q	31.9	Very low	29.5	Very low	170 Å²	170	140.8 Å²	140.8	79%	0.794	75%	0.753	S	S	*	*			trans	73.8	143.1	136.3	-60.8	172	21	0	0	118.4
289	T	29.5	Very low	29.4	Very low	119 Å²	119	139.1 Å²	139.1	73%	0.73	75%	0.752	S	S	*	*			cis	-164.1	164.4	-1.5	12.2	0	0	0	0	113.4
290	K	32.6	Very low	29.4	Very low	200 Å²	200	139.4 Å²	139.4	87%	0.87	75%	0.746	S	S	*	*			trans	84.2	135.6	160.3	-71.4	174.1	-179.7	178.8	0	120.8
291	S	29.2	Very low	29.2	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	75%	0.745	S	S	*	*			trans	58.1	132.6	170.4	-86	0	0	0	0	118.7
292	T	31.3	Very low	29.4	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	76%	0.757	S	S	*	*			cis	-142.3	158.8	1.5	-65.7	0	0	0	0	110.2
293	Y	29	Very low	29.2	Very low	220 Å²	220	149.7 Å²	149.7	86%	0.863	77%	0.767	S	S	*	*			trans	-98	175.5	-175.8	-72.9	-92.2	0	0	0	112.9
294	P	32.5	Very low	29.4	Very low	120 Å²	120	150.9 Å²	150.9	78%	0.779	77%	0.769	S	S	*	*			cis	-128.2	170.3	-1.8	24.2	-0.6	0	0	0	116.7
295	L	27.5	Very low	29.4	Very low	151 Å²	151	151.2 Å²	151.2	79%	0.791	78%	0.776	S	S	*	*			trans	-77.9	168	168.1	-118.5	76.2	0	0	0	111.6
296	P	29.9	Very low	29.7	Very low	121 Å²	121	150.2 Å²	150.2	79%	0.786	78%	0.78	S	S	*	*				-146.7	134.2	56.3	36.8	-15.4	0	0	0	118.5
297	T	25.2	Very low	29.6	Very low	127 Å²	127	151.7 Å²	151.7	78%	0.779	78%	0.784	S	S	*	*			trans	-103.4	98.5	155.5	-53.4	0	0	0	0	108.7
298	E	32.2	Very low	29.6	Very low	151 Å²	151	156 Å²	156	71%	0.706	79%	0.793	S	S	*	*			trans	-76	138.1	175.8	-127.9	-63.3	136.1	0	0	110.7	N300	E298-N300 PolarHBondContact OE2-ND2 3.13Å
299	L	27.6	Very low	29.4	Very low	145 Å²	145	152.9 Å²	152.9	76%	0.759	78%	0.781	S	S	*	*			trans	-123.6	80.4	-160.8	-164.1	167.3	0	0	0	110.6
300	N	27.4	Very low	29.4	Very low	97 Å²	97	152.3 Å²	152.3	52%	0.519	79%	0.788	S	S	.	*			trans	-136	97.4	-175	-93.5	-64.5	0	0	0	117.4	E298	E298-N300 PolarHBondContact OE2-ND2 3.13Å
301	R	25.5	Very low	29.2	Very low	204 Å²	204	150.7 Å²	150.7	77%	0.77	79%	0.788	S	S	*	*				43.3	95.7	125	-58.7	176.7	176.7	110.4	-9.4	119.2
302	K	31.4	Very low	29.1	Very low	201 Å²	201	150.9 Å²	150.9	87%	0.874	78%	0.776	S	S	*	*				171.3	104.4	126.6	-91.8	151	-173.2	172.7	0	109.4
303	R	25.9	Very low	29.1	Very low	246 Å²	246	155.2 Å²	155.2	93%	0.928	79%	0.785	S	S	*	*				40.8	84.1	80.7	-73.7	-168	178.8	175.1	1.3	114.9
304	K	33.6	Very low	29	Very low	195 Å²	195	149.2 Å²	149.2	85%	0.848	78%	0.775	S	S	*	*			trans	-158.6	96.5	133.8	-95.4	176.8	-174.7	-177.8	0	106.2
305	S	28.7	Very low	28.8	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	78%	0.779	S	S	*	*				40.2	114	96	66.1	0	0	0	0	112.3
306	S	33.8	Very low	28.8	Very low	118 Å²	118	148.8 Å²	148.8	83%	0.825	77%	0.772	S	S	*	*			cis	-124.7	126.6	44.7	-166	0	0	0	0	115.5
307	N	26.9	Very low	28.7	Very low	157 Å²	157	151.2 Å²	151.2	84%	0.84	78%	0.778	S	S	*	*			trans	-109.3	111.8	158.9	-87.5	-16	0	0	0	107.6
308	H	29.4	Very low	28.9	Very low	180 Å²	180	154.1 Å²	154.1	83%	0.833	78%	0.78	S	S	*	*			trans	-165	163.2	144.1	-131.1	-105	0	0	0	112.6
309	I	28.8	Very low	28.8	Very low	105 Å²	105	153.7 Å²	153.7	54%	0.538	78%	0.777	S	S	.	*			trans	64.5	67.2	175.4	-43	-177	0	0	0	114.6	L311 E312	I309-L311 VanDerWaalsContact C-N 3.31Å; I309-E312 HydrophobicContact CG2-CB 3.33Å; I309-E312 HydrophobicContact CG2-CG 4.45Å
310	A	29.9	Very low	28.9	Very low	107 Å²	107	153.6 Å²	153.6	88%	0.884	78%	0.778	S	S	*	*	S	Bend	trans	-91.9	59.3	149	0	0	0	0	0	110.3
311	L	27.8	Very low	29.1	Very low	165 Å²	165	157.2 Å²	157.2	86%	0.864	79%	0.791	S	S	*	*	S	Bend	trans	-154.4	10.9	172.8	-148.2	79	0	0	0	115.8	I309	I309-L311 VanDerWaalsContact C-N 3.31Å
312	E	26.3	Very low	29.2	Very low	119 Å²	119	155.5 Å²	155.5	56%	0.556	79%	0.792	S	S	*	*			trans	-144.7	44.9	-162.5	-151.7	169.2	-121.8	0	0	115	I309	I309-E312 HydrophobicContact CG2-CB 3.33Å; I309-E312 HydrophobicContact CG2-CG 4.45Å
313	K	31.5	Very low	29.1	Very low	219 Å²	219	151.2 Å²	151.2	95%	0.952	79%	0.788	S	S	*	*	S	Bend	trans	-128.2	23.3	168.4	-71.4	-165.9	175.3	-179.3	0	114.4
314	S	28	Very low	29.4	Very low	94 Å²	94	143.8 Å²	143.8	66%	0.657	77%	0.773	S	S	*	*	S	Bend	trans	-137.2	125.1	165.7	52.5	0	0	0	0	107.1
315	I	28.3	Very low	29.1	Very low	168 Å²	168	140.2 Å²	140.2	86%	0.862	76%	0.763	S	S	*	*	S	Bend	trans	68.3	66.6	-168.6	-44.4	169.4	0	0	0	112.6
316	S	27.5	Very low	29.1	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	75%	0.747	S	S	*	*			trans	-168	71.8	153.1	-84.2	0	0	0	0	110.9
317	L	27.7	Very low	29.1	Very low	173 Å²	173	137.4 Å²	137.4	91%	0.906	73%	0.729	S	S	*	*	S	Bend	trans	-147.6	52.4	153.3	-120.6	176.8	0	0	0	108.2
318	F	29.5	Very low	29.2	Very low	188 Å²	188	137 Å²	137	83%	0.825	72%	0.718	S	S	*	*	S	Bend	trans	-147.3	134.2	175.6	-101.7	-91.9	0	0	0	106.1
319	H	29.9	Very low	29.2	Very low	141 Å²	141	134.4 Å²	134.4	65%	0.653	71%	0.705	S	S	*	*			trans	61.5	74.2	178.6	-71.7	-80.5	0	0	0	118.4	H322	H319-H322 AromaticContact CE1-NE2 3.76Å; H319-H322 AromaticContact ND1-CD2 4Å; H319-H322 AromaticContact ND1-NE2 3.84Å
320	D	29.3	Very low	29.1	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	70%	0.701	S	S	*	*				-99.3	146.8	117.3	-89.6	-34.6	0	0	0	108.1
321	Q	31.2	Very low	28.9	Very low	173 Å²	173	134.8 Å²	134.8	81%	0.808	70%	0.695	S	S	*	*			cis	-154.1	152.3	-33.9	-132.4	-177.8	90.9	0	0	108.1
322	H	28.1	Very low	28.9	Very low	168 Å²	168	133.4 Å²	133.4	78%	0.778	69%	0.687	S	S	*	*			trans	-85.2	124.1	-167.5	-87.7	-105.9	0	0	0	115.7	H319	H319-H322 AromaticContact CE1-NE2 3.76Å; H319-H322 AromaticContact ND1-CD2 4Å; H319-H322 AromaticContact ND1-NE2 3.84Å
323	S	28.7	Very low	29	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	70%	0.695	S	S	*	*			trans	-170.2	126.6	145.2	-165.1	0	0	0	0	107.9
324	S	32.2	Very low	28.8	Very low	90 Å²	90	130 Å²	130	63%	0.629	68%	0.679	S	S	*	*			cis	-150.8	159.7	25.3	46	0	0	0	0	113
325	L	27.9	Very low	29.2	Very low	119 Å²	119	132.7 Å²	132.7	62%	0.623	69%	0.687	S	S	*	*			trans	-111.2	-166.5	-171.8	-131.5	176.3	0	0	0	112	N360 V361	L325-N360 CarbonylContact O-C 3.48Å; L325-N360 WeakPolarHBondContact O-CA 3.44Å; L325-N360 PolarHBondContact O-N 2.79Å; L325-N360 VanDerWaalsContact O-N 3.14Å; L325-V361 WeakPolarHBondContact O-CA 3.46Å; L325-V361 PolarHBondContact O-N 3.27Å
326	S	29.6	Very low	29.4	Very low	64 Å²	64	134 Å²	134	45%	0.448	68%	0.68	S	S	.	*	E	Extended strand (participates in β ladder)		73.4	-4.5	129.2	-91.4	0	0	0	0	136.9	N359 V361	S326-N359 CarbonylContact C-O 3.57Å; S326-V361 WeakPolarHBondContact CB-O 3.41Å
327	K	33.5	Very low	29.7	Very low	107 Å²	107	134.5 Å²	134.5	47%	0.465	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.3	78.2	177.6	-53.1	176.8	-178.4	173.4	0	118.1	N359 N360 V361	K327-N359 VanDerWaalsContact C-C 3.47Å; K327-N359 CarbonylContact C-O 3.5Å; K327-N359 WeakPolarHBondContact CA-O 3.46Å; K327-N359 PolarHBondContact N-O 3.25Å; K327-N360 VanDerWaalsContact CB-C 3.48Å; K327-N360 WeakPolarHBondContact CB-O 3.08Å; K327-N360 WeakPolarHBondContact O-CB 3.42Å; K327-V361 HydrophobicContact CD-CB 4.12Å; K327-V361 HydrophobicContact CD-CG1 4.41Å; K327-V361 VanDerWaalsContact CE-O 3.25Å; K327-V361 WeakPolarHBondContact CE-O 3.4Å; K327-V361 HydrophobicContact CG-CB 4.36Å
328	Y	27.7	Very low	29.9	Very low	150 Å²	150	130.5 Å²	130.5	59%	0.588	67%	0.665	S	S	*	*				97.7	146	119.1	-75.3	-151.3	0	0	0	125.8	C358 N359	Y328-C358 WeakPolarHBondContact CA-O 3.35Å; Y328-C358 PolarHBondContact N-O 3.48Å; Y328-N359 VanDerWaalsContact N-C 3.28Å; Y328-N359 PolarHBondContact N-O 3Å
329	H	30.1	Very low	30.1	Very low	124 Å²	124	126.9 Å²	126.9	57%	0.574	65%	0.65	S	S	*	*			trans	69.8	125.9	143.4	-82.2	-133.1	0	0	0	120.2
330	H	26.4	Very low	30.3	Very low	99 Å²	99	123.8 Å²	123.8	46%	0.458	64%	0.635	S	S	.	*				51.2	102.1	80.1	-82.6	-50.2	0	0	0	113.7
331	T	26.4	Very low	30.5	Very low	121 Å²	121	121.8 Å²	121.8	74%	0.742	62%	0.619	S	S	*	*				-179.2	153.8	102.7	28.6	0	0	0	0	111.6
332	L	26.4	Very low	30.6	Very low	136 Å²	136	114.8 Å²	114.8	71%	0.712	59%	0.588	S	S	*	*			trans	33	136.4	134.6	-50.6	178.4	0	0	0	118.6
333	K	28.5	Very low	30.8	Very low	166 Å²	166	112.5 Å²	112.5	72%	0.722	57%	0.574	S	S	*	*			cis	-172.9	168.5	19.4	-124.5	166	-170.4	174.3	0	109.9
334	T	29	Very low	31	Very low	101 Å²	101	112.5 Å²	112.5	62%	0.62	56%	0.561	S	S	*	*			trans	25.1	114.9	149.5	57.4	0	0	0	0	118
335	N	35.9	Very low	30.9	Very low	151 Å²	151	110.6 Å²	110.6	81%	0.807	55%	0.548	S	S	*	.				-160.1	128	75.7	-86.7	-27.8	0	0	0	107.9
336	R	31.2	Very low	31	Very low	194 Å²	194	109 Å²	109	73%	0.732	54%	0.544	S	S	*	.			cis	52.8	139.5	36.5	-109.8	-153.5	172.1	177.6	-0.7	112.4	T338	R336-T338 HydrophobicContact CG-CG2 4.19Å
337	P	35.5	Very low	31	Very low	104 Å²	104	112.5 Å²	112.5	68%	0.675	56%	0.557	S	S	*	*			cis	-130.3	130.6	15.2	44.4	-28.6	0	0	0	113.8
338	T	31.6	Very low	30.9	Very low	90 Å²	90	111.4 Å²	111.4	55%	0.552	56%	0.559	S	S	*	*				72.1	-177.5	106.3	76.6	0	0	0	0	114.3	R336	R336-T338 HydrophobicContact CG-CG2 4.19Å
339	H	33.6	Very low	31	Very low	111 Å²	111	113.5 Å²	113.5	51%	0.514	57%	0.567	S	S	.	*			cis	-146.5	150.2	1.9	-133.4	-18.8	0	0	0	111.4
340	K	33.8	Very low	31	Very low	77 Å²	77	114.3 Å²	114.3	34%	0.335	58%	0.576	S	S	.	*				67.3	157	116.5	-100.8	173	-178.7	168	0	114.6	T737	K340-T737 WeakPolarHBondContact O-CB 3.15Å; K340-T737 PolarHBondContact O-OG1 3.2Å
341	F	32.8	Very low	31.3	Very low	100 Å²	100	113.1 Å²	113.1	44%	0.439	58%	0.583	S	S	.	*			cis	-102.7	-168	12.7	-95.6	-91.6	0	0	0	116.3	T737 E738 F739	F341-T737 WeakPolarHBondContact CA-O 3.41Å; F341-T737 WeakPolarHBondContact CB-O 3.16Å; F341-T737 PolarHBondContact N-O 3.25Å; F341-E738 VanDerWaalsContact C-CA 3.47Å; F341-E738 HydrophobicContact CB-CB 4.2Å; F341-E738 HydrophobicContact CB-CG 3.85Å; F341-E738 WeakPolarHBondContact CB-OE1 3.1Å; F341-E738 VanDerWaalsContact CB-OE2 3.25Å; F341-E738 WeakPolarHBondContact CB-OE2 3.48Å; F341-F739 VanDerWaalsContact C-N 3.3Å; F341-F739 WeakPolarHBondContact O-CB 3.27Å; F341-F739 PolarHBondContact O-N 3.15Å
342	T	34	Very low	31.5	Very low	26 Å²	26	115.3 Å²	115.3	16%	0.16	59%	0.591	C	S	.	*	B	Isolated β-bridge	trans	-174.3	152.6	-154.2	-41.8	0	0	0	0	107.2	F739 I740	T342-F739 CarbonylContact C-O 3.27Å; T342-F739 VanDerWaalsContact C-O 3.27Å; T342-F739 VanDerWaalsContact CA-O 3.32Å; T342-F739 WeakPolarHBondContact CA-O 3.39Å; T342-F739 HydrophobicContact CG2-CB 3.84Å; T342-I740 HydrophobicContact CG2-CB 4.29Å; T342-I740 HydrophobicContact CG2-CD1 3.91Å
343	Y	31.6	Very low	31.8	Very low	120 Å²	120	112.2 Å²	112.2	47%	0.471	59%	0.592	S	S	.	*			trans	132.2	155.1	139.9	-67.5	-52.7	0	0	0	115.4	F739	Y343-F739 PolarHBondContact N-O 2.98Å
344	H	32.6	Very low	32	Very low	112 Å²	112	112.4 Å²	112.4	52%	0.519	60%	0.601	S	S	.	*			cis	-136.1	126.7	2.3	-131.2	-55.3	0	0	0	114.6	F741 Q742	H344-F741 PolarHBondContact N-O 3.34Å; H344-F741 VanDerWaalsContact N-O 3.12Å; H344-Q742 PolarHBondContact O-OE1 3.33Å
345	S	30.2	Very low	31.9	Very low	50 Å²	50	117.9 Å²	117.9	35%	0.35	61%	0.611	S	S	.	*			trans	-61.5	151.3	160.5	-21.4	0	0	0	0	112.2	Q742	S345-Q742 VanDerWaalsContact CA-OE1 3.27Å
346	T	31.2	Very low	31.7	Very low	87 Å²	87	114.7 Å²	114.7	53%	0.534	60%	0.597	S	S	.	*			trans	-171.6	154.5	153	39.1	0	0	0	0	109.1	Q742	T346-Q742 VanDerWaalsContact N-OE1 3.11Å; T346-Q742 PolarHBondContact O-NE2 3.38Å; T346-Q742 VanDerWaalsContact O-NE2 3.1Å
347	N	29.3	Very low	31.8	Very low	137 Å²	137	110.3 Å²	110.3	73%	0.733	59%	0.592	S	S	*	*			cis	-167.1	171.7	-8.7	-106.2	-4.1	0	0	0	107.5
348	T	30.9	Very low	31.4	Very low	83 Å²	83	108.9 Å²	108.9	51%	0.509	58%	0.584	S	S	.	*			cis	-164.4	168.3	4.8	6.9	0	0	0	0	110.2
349	Y	30.4	Very low	31.4	Very low	194 Å²	194	109 Å²	109	76%	0.761	58%	0.581	S	S	*	*			trans	71.1	140.9	161	-49.6	-50	0	0	0	117.6
350	N	30	Very low	31.3	Very low	142 Å²	142	108 Å²	108	76%	0.759	58%	0.58	S	S	*	*			cis	-155.1	148.1	-15.1	-126.9	-9.2	0	0	0	114.1
351	A	31.9	Very low	31.3	Very low	73 Å²	73	107.1 Å²	107.1	60%	0.603	58%	0.58	S	S	*	*			trans	63.8	116.3	144	0	0	0	0	0	123.3
352	N	31.9	Very low	31.2	Very low	168 Å²	168	103.8 Å²	103.8	90%	0.898	57%	0.569	S	S	*	*			trans	84.1	128.7	135.8	-56	-14.4	0	0	0	122.4
353	G	32.8	Very low	31.1	Very low	71 Å²	71	108.2 Å²	108.2	73%	0.732	58%	0.582	S	S	*	*			trans	104.4	61.4	153.2	0	0	0	0	0	118
354	N	32.5	Very low	31.1	Very low	170 Å²	170	106 Å²	106	91%	0.909	58%	0.576	S	S	*	*				61.2	143.2	96	-81.3	-9.7	0	0	0	118.9
355	Y	26.9	Very low	31	Very low	216 Å²	216	105.7 Å²	105.7	85%	0.847	58%	0.578	S	S	*	*			trans	-121.7	-179.9	-162.9	-99.3	-98.7	0	0	0	113.8
356	T	31.7	Very low	31.1	Very low	84 Å²	84	111.8 Å²	111.8	52%	0.515	60%	0.598	S	S	.	*			trans	94.7	101.6	141.4	41.9	0	0	0	0	125.3
357	T	32.4	Very low	31.1	Very low	102 Å²	102	111.9 Å²	111.9	63%	0.626	60%	0.602	S	S	*	*				61.5	135.2	120.9	64.1	0	0	0	0	126.2
358	C	27.2	Very low	31.2	Very low	74 Å²	74	112 Å²	112	50%	0.5	60%	0.602	S	S	.	*				137.1	152.1	105.6	-133.9	0	0	0	0	120.4	Y328	Y328-C358 WeakPolarHBondContact CA-O 3.35Å; Y328-C358 PolarHBondContact N-O 3.48Å
359	N	31.6	Very low	31.4	Very low	93 Å²	93	114.9 Å²	114.9	50%	0.497	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	62.7	162.1	146.2	-78.9	-6.3	0	0	0	124.1	S326 K327 Y328	S326-N359 CarbonylContact C-O 3.57Å; K327-N359 VanDerWaalsContact C-C 3.47Å; K327-N359 CarbonylContact C-O 3.5Å; K327-N359 WeakPolarHBondContact CA-O 3.46Å; K327-N359 PolarHBondContact N-O 3.25Å; Y328-N359 VanDerWaalsContact N-C 3.28Å; Y328-N359 PolarHBondContact N-O 3Å
360	N	32.7	Very low	31.4	Very low	89 Å²	89	111.4 Å²	111.4	48%	0.476	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)		83.2	28	116.6	-57.8	5.8	0	0	0	136.2	L325 K327	L325-N360 CarbonylContact O-C 3.48Å; L325-N360 WeakPolarHBondContact O-CA 3.44Å; L325-N360 PolarHBondContact O-N 2.79Å; L325-N360 VanDerWaalsContact O-N 3.14Å; K327-N360 VanDerWaalsContact CB-C 3.48Å; K327-N360 WeakPolarHBondContact CB-O 3.08Å; K327-N360 WeakPolarHBondContact O-CB 3.42Å
361	V	32.1	Very low	31.6	Very low	58 Å²	58	112.7 Å²	112.7	35%	0.352	60%	0.603	S	S	.	*			trans	165.7	116	135.6	153.7	0	0	0	0	119.8	L325 S326 K327	L325-V361 WeakPolarHBondContact O-CA 3.46Å; L325-V361 PolarHBondContact O-N 3.27Å; S326-V361 WeakPolarHBondContact CB-O 3.41Å; K327-V361 HydrophobicContact CD-CB 4.12Å; K327-V361 HydrophobicContact CD-CG1 4.41Å; K327-V361 VanDerWaalsContact CE-O 3.25Å; K327-V361 WeakPolarHBondContact CE-O 3.4Å; K327-V361 HydrophobicContact CG-CB 4.36Å
362	T	31.8	Very low	31.7	Very low	31 Å²	31	115.8 Å²	115.8	19%	0.19	61%	0.605	C	S	.	*			trans	66.7	114.4	131.2	-58.9	0	0	0	0	128.6	L393	T362-L393 WeakPolarHBondContact O-CD1 3.42Å; T362-L393 WeakPolarHBondContact O-CG 3.35Å
363	R	32	Very low	31.6	Very low	119 Å²	119	113.9 Å²	113.9	45%	0.449	59%	0.593	S	S	.	*				88.3	152.1	122.4	-175.2	-163.4	-107.7	160.9	-0.2	125.2	L393 E394 S395	R363-L393 CarbonylContact O-C 3.31Å; R363-L393 VanDerWaalsContact O-CA 3.25Å; R363-L393 WeakPolarHBondContact O-CA 3.27Å; R363-L393 VanDerWaalsContact O-CD1 3.24Å; R363-L393 WeakPolarHBondContact O-CD1 3.37Å; R363-L393 VanDerWaalsContact O-CG 3.23Å; R363-L393 WeakPolarHBondContact O-CG 3.49Å; R363-E394 HydrophobicContact CB-CG 4.14Å; R363-E394 VanDerWaalsContact CD-OE1 3.28Å; R363-E394 WeakPolarHBondContact CD-OE1 3.45Å; R363-E394 HydrophobicContact CG-CG 4.27Å; R363-E394 IonicContact CZ-OE1 3.27Å; R363-E394 IonicContact NE-OE1 2.98Å; R363-E394 IonicContact NH1-OE1 2.76Å; R363-E394 PolarHBondContact NH1-OE1 3.46Å; R363-E394 PolarHBondContact O-N 3.45Å; R363-S395 WeakPolarHBondContact CD-OG 3.42Å; R363-S395 WeakPolarHBondContact CG-OG 3.5Å; R363-S395 PolarHBondContact NE-OG 3.03Å; R363-S395 VanDerWaalsContact NE-OG 3.12Å
364	H	30.1	Very low	31.7	Very low	73 Å²	73	116.3 Å²	116.3	34%	0.338	59%	0.594	S	S	.	*			trans	48.3	150.3	167.9	-105.6	39.1	0	0	0	120.6	L393 E394 S395	H364-L393 CarbonylContact O-C 3.32Å; H364-L393 VanDerWaalsContact O-CA 3.31Å; H364-L393 WeakPolarHBondContact O-CA 3.4Å; H364-E394 VanDerWaalsContact CB-CA 3.45Å; H364-E394 VanDerWaalsContact CB-N 3.31Å; H364-E394 WeakPolarHBondContact CB-O 3.4Å; H364-E394 PolarHBondContact CD2-O 3.32Å; H364-E394 VanDerWaalsContact CG-O 3.29Å; H364-S395 WeakPolarHBondContact CD2-CA 3.36Å
365	L	32.2	Very low	31.9	Very low	106 Å²	106	113 Å²	113	56%	0.555	58%	0.582	S	S	*	*				62.2	144.1	70.1	-49.1	-169	0	0	0	114.9	L393	L365-L393 CarbonylContact O-C 3.42Å; L365-L393 VanDerWaalsContact O-O 3.13Å
366	K	30.9	Very low	32.3	Very low	177 Å²	177	108.6 Å²	108.6	77%	0.77	57%	0.573	S	S	*	*			cis	-163.3	166.1	29.6	-152.6	171.5	-172.6	173.7	0	113.6
367	S	31.1	Very low	32.3	Very low	89 Å²	89	110.8 Å²	110.8	62%	0.622	58%	0.581	S	S	*	*			trans	82.9	123.9	147.8	-89.9	0	0	0	0	122.7
368	L	31.9	Very low	32.3	Very low	139 Å²	139	111.1 Å²	111.1	73%	0.728	58%	0.584	S	S	*	*			trans	73.7	148.3	144.7	-52.9	171.6	0	0	0	117.3
369	Q	35.6	Very low	32.4	Very low	145 Å²	145	113.8 Å²	113.8	68%	0.678	60%	0.601	S	S	*	*			cis	-155.3	136.8	-1.7	-129.1	159.6	-7.4	0	0	114.2
370	N	30.9	Very low	32.3	Very low	121 Å²	121	112.3 Å²	112.3	65%	0.647	60%	0.598	S	S	*	*			trans	51.1	124.7	134.1	-76.9	-1.9	0	0	0	123.9
371	K	33.5	Very low	32.1	Very low	168 Å²	168	115.8 Å²	115.8	73%	0.73	61%	0.611	S	S	*	*			trans	83.8	146.6	135.4	-66.1	175.3	169.9	-167.4	0	118.2
372	H	33.3	Very low	31.9	Very low	138 Å²	138	118.2 Å²	118.2	64%	0.639	63%	0.626	S	S	*	*			cis	-162.2	162.1	-5.2	-117.2	-38.2	0	0	0	111.2
373	I	31.1	Very low	31.6	Very low	129 Å²	129	126.2 Å²	126.2	66%	0.662	65%	0.654	S	S	*	*			trans	64.5	88.5	144	-67.5	166.7	0	0	0	115.7
374	T	33.3	Very low	31.4	Very low	122 Å²	122	126.9 Å²	126.9	75%	0.748	67%	0.666	S	S	*	*				90.7	174.4	80.2	65	0	0	0	0	112.4
375	P	38.1	Very low	31.3	Very low	101 Å²	101	127.3 Å²	127.3	66%	0.656	68%	0.678	S	S	*	*				-116	-171.5	-111.2	28	-1.6	0	0	0	111.3
376	D	34.5	Very low	31.2	Very low	123 Å²	123	131.8 Å²	131.8	66%	0.658	69%	0.689	S	S	*	*			cis	-157.5	156.7	37.8	-95.9	-63.6	0	0	0	113.3
377	N	32.3	Very low	31	Very low	129 Å²	129	129.5 Å²	129.5	69%	0.69	68%	0.684	S	S	*	*			trans	29.3	136.2	140.2	-48.8	-37.8	0	0	0	121.1
378	T	32.5	Very low	31	Very low	110 Å²	110	133.6 Å²	133.6	68%	0.675	69%	0.693	S	S	*	*			cis	-166.2	134.3	-11.6	25.2	0	0	0	0	106.8
379	C	29	Very low	31	Very low	129 Å²	129	133.4 Å²	133.4	87%	0.872	69%	0.692	S	S	*	*			trans	-139.9	161.6	166	-152.4	0	0	0	0	111.2
380	C	28.6	Very low	30.9	Very low	63 Å²	63	133.6 Å²	133.6	43%	0.426	69%	0.693	S	S	.	*			trans	-103	-171.9	172.7	-65.3	0	0	0	0	109.5	K592	C380-K592 VanDerWaalsContact SG-CD 3.6Å
381	H	29.6	Very low	31.1	Very low	162 Å²	162	132.7 Å²	132.7	75%	0.75	69%	0.688	S	S	*	*			trans	82.1	107.5	166.8	-62.2	-79.1	0	0	0	118.9
382	T	27.6	Very low	31	Very low	108 Å²	108	130.8 Å²	130.8	66%	0.663	69%	0.686	S	S	*	*				72	129.1	124.1	57.5	0	0	0	0	122
383	Y	26.2	Very low	31	Very low	199 Å²	199	127.3 Å²	127.3	78%	0.78	67%	0.671	S	S	*	*			trans	80.2	137.9	141.8	-87.2	-123.7	0	0	0	118.3
384	D	26.6	Very low	31	Very low	133 Å²	133	125.6 Å²	125.6	71%	0.711	66%	0.661	S	S	*	*			trans	55.2	126.7	141.2	-64.6	13.8	0	0	0	118.5
385	S	29.6	Very low	31.1	Very low	82 Å²	82	121.7 Å²	121.7	57%	0.573	64%	0.638	S	S	*	*			cis	177.9	154.6	31.1	-116.1	0	0	0	0	111.6
386	Y	29.9	Very low	30.9	Very low	200 Å²	200	123.8 Å²	123.8	78%	0.784	64%	0.637	S	S	*	*			trans	65.8	115.3	151	-74.1	-126.4	0	0	0	117.6
387	I	26.9	Very low	30.8	Very low	130 Å²	130	123.9 Å²	123.9	67%	0.667	64%	0.638	S	S	*	*				92.4	144.7	74.7	-79	172.5	0	0	0	113.4
388	H	30.7	Very low	30.8	Very low	175 Å²	175	123.5 Å²	123.5	81%	0.81	64%	0.635	S	S	*	*			trans	72.1	122.2	-172.1	-66.3	-71.4	0	0	0	116.3
389	N	31.6	Very low	30.8	Very low	134 Å²	134	126.9 Å²	126.9	72%	0.717	64%	0.641	S	S	*	*			cis	116.6	150.1	4.2	-166.1	35.7	0	0	0	113.7
390	E	33	Very low	31	Very low	149 Å²	149	127.2 Å²	127.2	70%	0.696	64%	0.639	S	S	*	*			trans	77.3	146.1	173.3	-57.2	-149.1	-151.8	0	0	118.1
391	N	35.1	Very low	31.3	Very low	103 Å²	103	129.1 Å²	129.1	55%	0.551	65%	0.653	S	S	*	*			cis	-169.1	163.8	-20.2	-117.6	-34.9	0	0	0	113.6
392	L	32.5	Very low	31.5	Very low	128 Å²	128	126.2 Å²	126.2	67%	0.67	65%	0.651	S	S	*	*			trans	62.7	167.5	155.4	-87.2	83.1	0	0	0	121.7
393	L	31.6	Very low	31.9	Very low	64 Å²	64	130.3 Å²	130.3	34%	0.335	66%	0.66	S	S	.	*			cis	-167.7	160.6	-44.1	-136.8	68.3	0	0	0	116.6	T362 R363 H364 L365	T362-L393 WeakPolarHBondContact O-CD1 3.42Å; T362-L393 WeakPolarHBondContact O-CG 3.35Å; R363-L393 CarbonylContact O-C 3.31Å; R363-L393 VanDerWaalsContact O-CA 3.25Å; R363-L393 WeakPolarHBondContact O-CA 3.27Å; R363-L393 VanDerWaalsContact O-CD1 3.24Å; R363-L393 WeakPolarHBondContact O-CD1 3.37Å; R363-L393 VanDerWaalsContact O-CG 3.23Å; R363-L393 WeakPolarHBondContact O-CG 3.49Å; H364-L393 CarbonylContact O-C 3.32Å; H364-L393 VanDerWaalsContact O-CA 3.31Å; H364-L393 WeakPolarHBondContact O-CA 3.4Å; L365-L393 CarbonylContact O-C 3.42Å; L365-L393 VanDerWaalsContact O-O 3.13Å
394	E	31.5	Very low	32.4	Very low	94 Å²	94	127.1 Å²	127.1	44%	0.439	66%	0.661	S	S	.	*			trans	71.7	143.1	154.6	-71.1	-148.4	102	0	0	127.6	R363 H364	R363-E394 HydrophobicContact CB-CG 4.14Å; R363-E394 VanDerWaalsContact CD-OE1 3.28Å; R363-E394 WeakPolarHBondContact CD-OE1 3.45Å; R363-E394 HydrophobicContact CG-CG 4.27Å; R363-E394 IonicContact CZ-OE1 3.27Å; R363-E394 IonicContact NE-OE1 2.98Å; R363-E394 IonicContact NH1-OE1 2.76Å; R363-E394 PolarHBondContact NH1-OE1 3.46Å; R363-E394 PolarHBondContact O-N 3.45Å; H364-E394 VanDerWaalsContact CB-CA 3.45Å; H364-E394 VanDerWaalsContact CB-N 3.31Å; H364-E394 WeakPolarHBondContact CB-O 3.4Å; H364-E394 PolarHBondContact CD2-O 3.32Å; H364-E394 VanDerWaalsContact CG-O 3.29Å
395	S	36.7	Very low	32.9	Very low	39 Å²	39	130.2 Å²	130.2	27%	0.273	67%	0.668	S	S	.	*			trans	-71.5	177.8	-152.4	-95.1	0	0	0	0	117.2	R363 H364	R363-S395 WeakPolarHBondContact CD-OG 3.42Å; R363-S395 WeakPolarHBondContact CG-OG 3.5Å; R363-S395 PolarHBondContact NE-OG 3.03Å; R363-S395 VanDerWaalsContact NE-OG 3.12Å; H364-S395 WeakPolarHBondContact CD2-CA 3.36Å
396	F	33.6	Very low	33	Very low	145 Å²	145	133.5 Å²	133.5	64%	0.636	68%	0.679	S	S	*	*			cis	-158.6	148.6	44.4	-71.2	-88.8	0	0	0	110.7
397	N	32.7	Very low	33.5	Very low	126 Å²	126	131.9 Å²	131.9	67%	0.674	68%	0.678	S	S	*	*				92.6	144.2	54.6	-147.4	12.9	0	0	0	113.8
398	N	30.4	Very low	33.8	Very low	120 Å²	120	132.4 Å²	132.4	64%	0.642	69%	0.688	S	S	*	*			trans	69.5	113.9	178.2	-66	-45.1	0	0	0	117.7
399	K	34.2	Very low	34	Very low	181 Å²	181	130.4 Å²	130.4	79%	0.787	68%	0.682	S	S	*	*				85.3	109.5	76.8	-80.2	-177.5	-178.6	175.2	0	114.6
400	T	32.7	Very low	34.2	Very low	137 Å²	137	131.1 Å²	131.1	84%	0.84	68%	0.684	S	S	*	*				162.9	162.7	112.4	42.1	0	0	0	0	113.1
401	S	34.5	Very low	34.2	Very low	103 Å²	103	129 Å²	129	72%	0.72	68%	0.684	S	S	*	*			trans	72.6	101.9	154.4	-86.7	0	0	0	0	122.8
402	S	33.4	Very low	34	Very low	100 Å²	100	129 Å²	129	70%	0.699	69%	0.691	S	S	*	*				77.1	133.2	105.5	-58.3	0	0	0	0	121.8
403	K	37.4	Very low	34.1	Very low	195 Å²	195	128.2 Å²	128.2	85%	0.848	70%	0.696	S	S	*	*			trans	71.3	104.2	165.7	-60.7	170.4	-177	173.9	0	114.2
404	V	35.1	Very low	34.5	Very low	132 Å²	132	130.4 Å²	130.4	80%	0.8	72%	0.717	S	S	*	*				64.9	95.4	60.2	-173.9	0	0	0	0	112.9
405	K	37.4	Very low	35.1	Very low	197 Å²	197	130.9 Å²	130.9	86%	0.857	73%	0.731	S	S	*	*				-170.6	148.2	122.7	-103.5	170	-174.3	-177.8	0	112.2
406	N	31.8	Very low	35.3	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	76%	0.758	S	S	*	*			trans	-66.3	143	-171.1	-49.1	-14.7	0	0	0	113
407	Q	41.2	Very low	35.7	Very low	166 Å²	166	133.6 Å²	133.6	78%	0.776	77%	0.768	S	S	*	*			trans	-132.6	120.1	150.2	-71.2	-172.9	-7	0	0	108.1	I409	Q407-I409 HydrophobicContact CB-CD1 4.3Å; Q407-I409 HydrophobicContact CB-CG1 4.39Å
408	T	32.4	Very low	36.2	Very low	141 Å²	141	134.3 Å²	134.3	87%	0.865	77%	0.771	S	S	*	*			trans	-88.2	109.4	175	-55.9	0	0	0	0	108
409	I	35.6	Very low	36.7	Very low	134 Å²	134	134.4 Å²	134.4	69%	0.687	78%	0.782	S	S	*	*			trans	-128.9	124.7	-179.8	-60.6	176.5	0	0	0	109.1	Q407	Q407-I409 HydrophobicContact CB-CD1 4.3Å; Q407-I409 HydrophobicContact CB-CG1 4.39Å
410	I	35.6	Very low	37.4	Very low	148 Å²	148	132.8 Å²	132.8	76%	0.759	78%	0.78	S	S	*	*			trans	-93.6	143.6	165.4	-67.3	166.1	0	0	0	105.6
411	P	33.6	Very low	38.4	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	78%	0.781	S	S	*	*			cis	-134.7	-163	15.5	38.6	-17.9	0	0	0	115
412	S	30.3	Very low	39.1	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	79%	0.785	S	S	*	*			trans	69.1	122.8	142.4	-64.9	0	0	0	0	122.8
413	S	34.4	Very low	40.5	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	80%	0.796	S	S	*	*			trans	69.2	131.1	138.4	62	0	0	0	0	122.4
414	S	40.2	Very low	42.3	Very low	111 Å²	111	137 Å²	137	78%	0.776	79%	0.788	S	S	*	*			trans	88	151.4	151.8	84.3	0	0	0	0	120.8
415	S	42.9	Very low	44.2	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	77%	0.774	S	S	*	*			trans	68	81.9	165.2	68.1	0	0	0	0	120.1
416	S	41.7	Very low	46.6	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	77%	0.765	S	S	*	*			trans	-156.4	65.7	142.1	-83.3	0	0	0	0	109.9	N418	S416-N418 VanDerWaalsContact C-N 3.34Å; S416-N418 PolarHBondContact O-N 3.42Å
417	S	41.5	Very low	49.5	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	75%	0.748	S	S	*	*			trans	-77.5	72.3	-171.8	52.5	0	0	0	0	113.3
418	N	44.7	Very low	52	Low	141 Å²	141	123.2 Å²	123.2	75%	0.754	71%	0.713	S	S	*	*			trans	-79.4	114.1	160.7	-81.9	-35.7	0	0	0	109.2	S416 I420	S416-N418 VanDerWaalsContact C-N 3.34Å; S416-N418 PolarHBondContact O-N 3.42Å; N418-I420 PolarHBondContact O-N 2.89Å
419	S	40.1	Very low	54.9	Low	123 Å²	123	120.8 Å²	120.8	86%	0.86	69%	0.688	S	S	*	*			trans	-74.5	49.2	-177	47.9	0	0	0	0	113.8	L421	S419-L421 PolarHBondContact O-N 2.75Å
420	I	49.1	Very low	57.7	Low	146 Å²	146	115 Å²	115	75%	0.749	66%	0.657	S	S	*	*			trans	-67.2	106.7	167	-56.7	175.7	0	0	0	107.2	N418 S422	N418-I420 PolarHBondContact O-N 2.89Å; I420-S422 PolarHBondContact O-N 2.9Å
421	L	54	Low	60.5	Low	165 Å²	165	107.9 Å²	107.9	86%	0.864	62%	0.621	S	S	*	*			trans	-42.6	108.5	172.2	-76.3	161.3	0	0	0	109.8	S419 R423	S419-L421 PolarHBondContact O-N 2.75Å; L421-R423 PolarHBondContact O-N 2.89Å
422	S	49.2	Very low	63.3	Low	115 Å²	115	110.1 Å²	110.1	80%	0.804	62%	0.62	S	S	*	*			trans	-66	101.4	-167.9	49.3	0	0	0	0	109.6	I420 S424	I420-S422 PolarHBondContact O-N 2.9Å; S422-S424 PolarHBondContact O-N 2.93Å
423	R	62.4	Low	66.2	Low	247 Å²	247	105.5 Å²	105.5	93%	0.932	59%	0.589	S	S	*	*			trans	-65.8	97.6	-168.3	-154.3	-178.7	-158.7	-165.3	7.3	109.5	L421	L421-R423 PolarHBondContact O-N 2.89Å
424	S	74	Confident	69	Low	96 Å²	96	102.6 Å²	102.6	67%	0.671	56%	0.563	S	S	*	*			trans	-43.7	129.1	-171.1	-174.5	0	0	0	0	111.4	S422 Y426	S422-S424 PolarHBondContact O-N 2.93Å; S424-Y426 PolarHBondContact O-N 3.41Å
425	P	75.8	Confident	71.4	Confident	78 Å²	78	100.8 Å²	100.8	51%	0.506	56%	0.562	S	S	.	*			trans	-60.2	126.3	-169.1	23.7	-33.9	0	0	0	110.4	K427 P439	P425-K427 WeakPolarHBondContact O-CG 3.35Å; P425-K427 PolarHBondContact O-N 3.44Å; P425-K427 VanDerWaalsContact O-N 3.1Å; P425-P439 HydrophobicContact CB-CB 4.16Å
426	Y	87.9	Confident	73.7	Confident	172 Å²	172	99.5 Å²	99.5	68%	0.675	55%	0.545	S	S	*	.			trans	-59.9	115.9	-176.5	-179.5	-107.4	0	0	0	110.7	S424 V440	S424-Y426 PolarHBondContact O-N 3.41Å; Y426-V440 HydrophobicContact CD1-CB 3.96Å; Y426-V440 HydrophobicContact CD1-CG1 4.39Å; Y426-V440 HydrophobicContact CD1-CG2 3.67Å; Y426-V440 HydrophobicContact CE1-CG2 3.94Å; Y426-V440 WeakPolarHBondContact O-CB 3.29Å; Y426-V440 WeakPolarHBondContact O-CG2 3.5Å; Y426-V440 PolarHBondContact O-N 2.91Å
427	K	92.5	Very high	76	Confident	102 Å²	102	96.3 Å²	96.3	44%	0.443	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-84.5	151.5	-175.2	-63.4	-177.4	171.5	-170.6	0	112.3	P425 R429 S437 E438	P425-K427 WeakPolarHBondContact O-CG 3.35Å; P425-K427 PolarHBondContact O-N 3.44Å; P425-K427 VanDerWaalsContact O-N 3.1Å; K427-R429 PolarHBondContact O-N 3.03Å; K427-S437 WeakPolarHBondContact CD-OG 3.4Å; K427-S437 VanDerWaalsContact CE-OG 3.23Å; K427-S437 WeakPolarHBondContact CE-OG 3.46Å; K427-S437 PolarHBondContact NZ-OG 3.16Å; K427-E438 CarbonylContact C-O 3.54Å; K427-E438 VanDerWaalsContact CA-O 3.29Å; K427-E438 WeakPolarHBondContact CA-O 3.33Å
428	C	94.6	Very high	78.4	Confident	5 Å²	5	94.6 Å²	94.6	3%	0.034	50%	0.502	C	S	.	.			trans	-72.4	110.9	-176.6	-173.5	0	0	0	0	110.9	K430 C431 K432 E438 V440	C428-K430 PolarHBondContact O-N 3.37Å; C428-C431 HydrophobicContact CB-CB 3.96Å; C428-C431 PolarHBondContact O-N 3.43Å; C428-K432 PolarHBondContact O-N 3.34Å; C428-E438 PolarHBondContact N-O 3.46Å; C428-V440 VanDerWaalsContact CA-CG2 3.49Å; C428-V440 HydrophobicContact CB-CG2 3.91Å
429	R	92.5	Very high	80.7	Confident	91 Å²	91	90.4 Å²	90.4	34%	0.343	48%	0.482	S	S	.	.	H	α-helix	trans	-64.4	-24.9	-176.7	-155.6	176.2	-174.9	175.4	8.8	113.7	K427 G433 V460 E551	K427-R429 PolarHBondContact O-N 3.03Å; R429-G433 PolarHBondContact O-N 3.44Å; R429-V460 HydrophobicContact CB-CG1 4.12Å; R429-V460 HydrophobicContact CB-CG2 4.04Å; R429-V460 HydrophobicContact CG-CG2 3.71Å; R429-E551 IonicContact CZ-OE2 2.78Å; R429-E551 VanDerWaalsContact CZ-OE2 3.29Å; R429-E551 IonicContact NH1-OE2 2.56Å; R429-E551 PolarHBondContact NH1-OE2 2.91Å; R429-E551 IonicContact NH2-OE1 2.66Å; R429-E551 PolarHBondContact NH2-OE1 3.09Å; R429-E551 VanDerWaalsContact NH2-OE1 3.11Å; R429-E551 IonicContact NH2-OE2 3.96Å; R429-E551 PolarHBondContact NH2-OE2 3.44Å
430	K	94.3	Very high	83.1	Confident	11 Å²	11	87 Å²	87	5%	0.048	46%	0.456	C	S	.	.	H	α-helix	trans	-67.7	-58.1	169.6	-77	-152.2	169.2	-165.6	0	110.5	C428 K432 G433 H434 Y449 R450 C452 C457 V460	C428-K430 PolarHBondContact O-N 3.37Å; K430-K432 PolarHBondContact O-N 3.41Å; K430-G433 WeakPolarHBondContact O-CA 3.27Å; K430-G433 PolarHBondContact O-N 3.41Å; K430-H434 PolarHBondContact O-CD2 3.09Å; K430-Y449 WeakPolarHBondContact CD-O 3.37Å; K430-R450 PolarHBondContact NZ-O 3.44Å; K430-C452 PolarHBondContact NZ-O 3.08Å; K430-C457 HydrophobicContact CD-CB 3.91Å; K430-C457 VanDerWaalsContact CD-SG 3.53Å; K430-C457 WeakPolarHBondContact CE-O 3.31Å; K430-C457 HydrophobicContact CG-CB 4.24Å; K430-C457 VanDerWaalsContact CG-SG 3.55Å; K430-V460 HydrophobicContact CG-CB 4.29Å; K430-V460 HydrophobicContact CG-CG1 3.75Å
431	C	94.8	Very high	84.7	Confident	0 Å²	0	90.5 Å²	90.5	0%	0	46%	0.46	C	S	.	.	H	α-helix	trans	-53.3	-40.3	176	-61.4	0	0	0	0	113.3	C428 G433 H434 G435 M436 H443 Y449	C428-C431 HydrophobicContact CB-CB 3.96Å; C428-C431 PolarHBondContact O-N 3.43Å; C431-G433 PolarHBondContact O-N 2.87Å; C431-H434 CarbonylContact O-C 3.6Å; C431-H434 VanDerWaalsContact O-C 3.28Å; C431-H434 WeakPolarHBondContact O-CA 3.25Å; C431-H434 PolarHBondContact O-N 2.69Å; C431-G435 PolarHBondContact O-N 3.41Å; C431-M436 CarbonylContact C-O 3Å; C431-M436 HydrophobicContact CB-CB 3.94Å; C431-M436 VanDerWaalsContact CB-O 3.3Å; C431-M436 WeakPolarHBondContact CB-O 3.39Å; C431-M436 PolarHBondContact O-N 2.89Å; C431-M436 VanDerWaalsContact O-O 3.06Å; C431-H443 VanDerWaalsContact SG-CE1 3.53Å; C431-H443 PolarHBondContact SG-NE2 2.89Å; C431-Y449 HydrophobicContact CB-CD2 4.16Å; C431-Y449 HydrophobicContact CB-CE2 4.36Å
432	K	92.2	Very high	86.1	Confident	152 Å²	152	91.2 Å²	91.2	66%	0.661	46%	0.459	S	S	*	.	H	α-helix	trans	-62.9	-26.8	178.5	-156.5	-142.1	169.2	-161.7	0	112.9	C428 K430 M436	C428-K432 PolarHBondContact O-N 3.34Å; K430-K432 PolarHBondContact O-N 3.41Å; K432-M436 WeakPolarHBondContact CA-O 3.4Å; K432-M436 PolarHBondContact N-O 3.17Å; K432-M436 VanDerWaalsContact N-O 3.08Å
433	G	91.3	Very high	88.1	Confident	6 Å²	6	86.6 Å²	86.6	6%	0.062	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.8	171.8	0	0	0	0	0	114.2	R429 K430 C431	R429-G433 PolarHBondContact O-N 3.44Å; K430-G433 WeakPolarHBondContact O-CA 3.27Å; K430-G433 PolarHBondContact O-N 3.41Å; C431-G433 PolarHBondContact O-N 2.87Å
434	H	93.4	Very high	89.3	Confident	49 Å²	49	83.1 Å²	83.1	23%	0.227	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	32.3	176.7	-58.6	-81.9	0	0	0	111.4	K430 C431 M436 Y449 C454 C457	K430-H434 PolarHBondContact O-CD2 3.09Å; C431-H434 CarbonylContact O-C 3.6Å; C431-H434 VanDerWaalsContact O-C 3.28Å; C431-H434 WeakPolarHBondContact O-CA 3.25Å; C431-H434 PolarHBondContact O-N 2.69Å; H434-M436 PolarHBondContact O-N 3.28Å; H434-Y449 HydrophobicContact CB-CD1 4.04Å; H434-Y449 HydrophobicContact CB-CD2 4.12Å; H434-Y449 HydrophobicContact CB-CE1 3.57Å; H434-Y449 HydrophobicContact CB-CE2 3.66Å; H434-Y449 HydrophobicContact CB-CG 4.29Å; H434-Y449 AromaticContact CD2-CD1 3.3Å; H434-Y449 WeakPolarHBondContact CD2-CD1 3.33Å; H434-Y449 AromaticContact CD2-CD2 3.77Å; H434-Y449 AromaticContact CD2-CE1 3.8Å; H434-Y449 AromaticContact CD2-CG 3.28Å; H434-Y449 AromaticContact CE1-CD1 3.99Å; H434-Y449 AromaticContact CG-CD1 3.56Å; H434-Y449 AromaticContact CG-CE1 3.54Å; H434-Y449 AromaticContact CG-CG 3.9Å; H434-Y449 AromaticContact CG-CZ 3.87Å; H434-Y449 AromaticContact ND1-CD1 3.99Å; H434-Y449 AromaticContact ND1-CE1 3.97Å; H434-Y449 AromaticContact NE2-CD1 3.61Å; H434-Y449 AromaticContact NE2-CG 3.82Å; H434-C454 PolarHBondContact CE1-SG 3.4Å; H434-C457 PolarHBondContact NE2-SG 2.87Å
435	G	91.3	Very high	90	Very high	73 Å²	73	89.3 Å²	89.3	75%	0.753	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-15.8	178.2	0	0	0	0	0	116.8	C431	C431-G435 PolarHBondContact O-N 3.41Å
436	M	90.9	Very high	90.7	Very high	77 Å²	77	91.5 Å²	91.5	38%	0.379	43%	0.432	S	S	.	.			trans	-87.4	141.8	-174.7	-66.4	-132	-73.3	0	0	113.7	C431 K432 H434 P448 Y449	C431-M436 CarbonylContact C-O 3Å; C431-M436 HydrophobicContact CB-CB 3.94Å; C431-M436 VanDerWaalsContact CB-O 3.3Å; C431-M436 WeakPolarHBondContact CB-O 3.39Å; C431-M436 PolarHBondContact O-N 2.89Å; C431-M436 VanDerWaalsContact O-O 3.06Å; K432-M436 WeakPolarHBondContact CA-O 3.4Å; K432-M436 PolarHBondContact N-O 3.17Å; K432-M436 VanDerWaalsContact N-O 3.08Å; H434-M436 PolarHBondContact O-N 3.28Å; M436-P448 HydrophobicContact CE-CG 3.52Å; M436-Y449 HydrophobicContact CB-CE2 4.24Å; M436-Y449 HydrophobicContact CE-CE2 3.69Å; M436-Y449 HydrophobicContact CG-CE2 4.23Å
437	S	90.5	Very high	91	Very high	54 Å²	54	83.9 Å²	83.9	38%	0.378	40%	0.404	S	S	.	.			trans	-112.4	25	-161.7	179.4	0	0	0	0	115.3	K427	K427-S437 WeakPolarHBondContact CD-OG 3.4Å; K427-S437 VanDerWaalsContact CE-OG 3.23Å; K427-S437 WeakPolarHBondContact CE-OG 3.46Å; K427-S437 PolarHBondContact NZ-OG 3.16Å
438	E	91.3	Very high	91.1	Very high	84 Å²	84	83.2 Å²	83.2	39%	0.393	41%	0.41	S	S	.	.			trans	-64.7	140	-168.2	-64.7	-48	107.9	0	0	116	K427 C428 H443	K427-E438 CarbonylContact C-O 3.54Å; K427-E438 VanDerWaalsContact CA-O 3.29Å; K427-E438 WeakPolarHBondContact CA-O 3.33Å; C428-E438 PolarHBondContact N-O 3.46Å; E438-H443 WeakPolarHBondContact CB-CE1 3.48Å; E438-H443 WeakPolarHBondContact CB-ND1 3.33Å
439	P	92.4	Very high	91.1	Very high	53 Å²	53	85.6 Å²	85.6	34%	0.344	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-74.4	135.5	173.2	31.9	-33.9	0	0	0	111.2	P425 R441 H443	P425-P439 HydrophobicContact CB-CB 4.16Å; P439-R441 PolarHBondContact O-N 3.11Å; P439-R441 VanDerWaalsContact O-N 3.12Å; P439-H443 WeakPolarHBondContact O-CB 3.42Å
440	V	90.2	Very high	91.1	Very high	50 Å²	50	88.2 Å²	88.2	30%	0.303	43%	0.428	S	S	.	.	H	α-helix	trans	-67.8	-15.5	-172.7	173	0	0	0	0	114.5	Y426 C428 Q442	Y426-V440 HydrophobicContact CD1-CB 3.96Å; Y426-V440 HydrophobicContact CD1-CG1 4.39Å; Y426-V440 HydrophobicContact CD1-CG2 3.67Å; Y426-V440 HydrophobicContact CE1-CG2 3.94Å; Y426-V440 WeakPolarHBondContact O-CB 3.29Å; Y426-V440 WeakPolarHBondContact O-CG2 3.5Å; Y426-V440 PolarHBondContact O-N 2.91Å; C428-V440 VanDerWaalsContact CA-CG2 3.49Å; C428-V440 HydrophobicContact CB-CG2 3.91Å; V440-Q442 PolarHBondContact O-N 3.17Å
441	R	84	Confident	91.1	Very high	220 Å²	220	92.6 Å²	92.6	83%	0.83	45%	0.452	S	S	*	.	H	α-helix	trans	-63.7	126.4	175.2	-69	-173.8	176	-166	-0.6	108.9	P439 H443	P439-R441 PolarHBondContact O-N 3.11Å; P439-R441 VanDerWaalsContact O-N 3.12Å; R441-H443 PolarHBondContact O-N 3.23Å
442	Q	83.1	Confident	91.2	Very high	181 Å²	181	94.4 Å²	94.4	85%	0.846	46%	0.464	S	S	*	.	H	α-helix	trans	62.5	-40.4	-171.4	-66.8	162.1	-42.1	0	0	115.5	V440 K444 R445	V440-Q442 PolarHBondContact O-N 3.17Å; Q442-K444 PolarHBondContact O-N 3.5Å; Q442-R445 PolarHBondContact O-N 2.85Å
443	H	91.5	Very high	91.3	Very high	18 Å²	18	93 Å²	93	8%	0.083	47%	0.469	C	S	.	.	H	α-helix	trans	-52.3	-17.4	-178.7	179.8	82.6	0	0	0	116.4	C431 E438 P439 R441 R445 N446 C447	C431-H443 VanDerWaalsContact SG-CE1 3.53Å; C431-H443 PolarHBondContact SG-NE2 2.89Å; E438-H443 WeakPolarHBondContact CB-CE1 3.48Å; E438-H443 WeakPolarHBondContact CB-ND1 3.33Å; P439-H443 WeakPolarHBondContact O-CB 3.42Å; R441-H443 PolarHBondContact O-N 3.23Å; H443-R445 PolarHBondContact O-N 3.36Å; H443-R445 VanDerWaalsContact O-N 3.11Å; H443-N446 PolarHBondContact ND1-O 2.92Å; H443-N446 CarbonylContact O-C 3.35Å; H443-N446 PolarHBondContact O-N 3.22Å; H443-N446 VanDerWaalsContact O-N 3.1Å; H443-C447 WeakPolarHBondContact NE2-CB 3.43Å; H443-C447 WeakPolarHBondContact O-CB 3.29Å; H443-C447 PolarHBondContact O-N 2.69Å
444	K	86.3	Confident	91.5	Very high	173 Å²	173	95 Å²	95	75%	0.752	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.5	177.7	-176	-177.3	175.9	-171.7	0	113.4	Q442	Q442-K444 PolarHBondContact O-N 3.5Å
445	R	88.9	Confident	91.6	Very high	226 Å²	226	97.6 Å²	97.6	85%	0.853	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.2	176.4	-69.8	-175.5	177	-177.4	-1.8	111.9	Q442 H443 C447	Q442-R445 PolarHBondContact O-N 2.85Å; H443-R445 PolarHBondContact O-N 3.36Å; H443-R445 VanDerWaalsContact O-N 3.11Å; R445-C447 VanDerWaalsContact C-N 3.29Å; R445-C447 PolarHBondContact O-N 3.43Å
446	N	91	Very high	91.7	Very high	124 Å²	124	95 Å²	95	66%	0.663	47%	0.466	S	S	*	.	S	Bend	trans	-92.5	31.9	-176.6	-51.9	78.8	0	0	0	112.9	H443 P448	H443-N446 PolarHBondContact ND1-O 2.92Å; H443-N446 CarbonylContact O-C 3.35Å; H443-N446 PolarHBondContact O-N 3.22Å; H443-N446 VanDerWaalsContact O-N 3.1Å; N446-P448 WeakPolarHBondContact O-CD 3.36Å
447	C	94.6	Very high	92	Very high	13 Å²	13	91.4 Å²	91.4	9%	0.088	45%	0.448	C	S	.	.			trans	-91.4	110.7	-179.8	172.9	0	0	0	0	108.4	H443 R445 Y449 R450	H443-C447 WeakPolarHBondContact NE2-CB 3.43Å; H443-C447 WeakPolarHBondContact O-CB 3.29Å; H443-C447 PolarHBondContact O-N 2.69Å; R445-C447 VanDerWaalsContact C-N 3.29Å; R445-C447 PolarHBondContact O-N 3.43Å; C447-Y449 PolarHBondContact O-N 3.14Å; C447-R450 HydrophobicContact CB-CB 4.11Å; C447-R450 WeakPolarHBondContact O-CB 3.25Å; C447-R450 PolarHBondContact O-N 3.47Å; C447-R450 PolarHBondContact SG-N 3.21Å; C447-R450 VanDerWaalsContact SG-N 3.42Å
448	P	93.7	Very high	92.3	Very high	87 Å²	87	94 Å²	94	57%	0.565	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.8	-176.9	21.5	-30	0	0	0	111.9	M436 N446 R450	M436-P448 HydrophobicContact CE-CG 3.52Å; N446-P448 WeakPolarHBondContact O-CD 3.36Å; P448-R450 VanDerWaalsContact C-N 3.29Å; P448-R450 PolarHBondContact O-N 2.88Å
449	Y	95.4	Very high	92.5	Very high	56 Å²	56	90.7 Å²	90.7	22%	0.22	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	18.9	175.2	-43.2	-75.7	0	0	0	113.4	K430 C431 H434 M436 C447 D451 C452	K430-Y449 WeakPolarHBondContact CD-O 3.37Å; C431-Y449 HydrophobicContact CB-CD2 4.16Å; C431-Y449 HydrophobicContact CB-CE2 4.36Å; H434-Y449 HydrophobicContact CB-CD1 4.04Å; H434-Y449 HydrophobicContact CB-CD2 4.12Å; H434-Y449 HydrophobicContact CB-CE1 3.57Å; H434-Y449 HydrophobicContact CB-CE2 3.66Å; H434-Y449 HydrophobicContact CB-CG 4.29Å; H434-Y449 AromaticContact CD2-CD1 3.3Å; H434-Y449 WeakPolarHBondContact CD2-CD1 3.33Å; H434-Y449 AromaticContact CD2-CD2 3.77Å; H434-Y449 AromaticContact CD2-CE1 3.8Å; H434-Y449 AromaticContact CD2-CG 3.28Å; H434-Y449 AromaticContact CE1-CD1 3.99Å; H434-Y449 AromaticContact CG-CD1 3.56Å; H434-Y449 AromaticContact CG-CE1 3.54Å; H434-Y449 AromaticContact CG-CG 3.9Å; H434-Y449 AromaticContact CG-CZ 3.87Å; H434-Y449 AromaticContact ND1-CD1 3.99Å; H434-Y449 AromaticContact ND1-CE1 3.97Å; H434-Y449 AromaticContact NE2-CD1 3.61Å; H434-Y449 AromaticContact NE2-CG 3.82Å; M436-Y449 HydrophobicContact CB-CE2 4.24Å; M436-Y449 HydrophobicContact CE-CE2 3.69Å; M436-Y449 HydrophobicContact CG-CE2 4.23Å; C447-Y449 PolarHBondContact O-N 3.14Å; Y449-D451 VanDerWaalsContact C-N 3.29Å; Y449-D451 PolarHBondContact O-N 2.67Å; Y449-C452 WeakPolarHBondContact O-CB 3.4Å; Y449-C452 PolarHBondContact O-N 3.04Å
450	R	93	Very high	92.7	Very high	145 Å²	145	88.5 Å²	88.5	55%	0.547	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-53.6	-176.5	172.4	-172.2	162.6	-113.6	0.1	110.5	K430 C447 P448	K430-R450 PolarHBondContact NZ-O 3.44Å; C447-R450 HydrophobicContact CB-CB 4.11Å; C447-R450 WeakPolarHBondContact O-CB 3.25Å; C447-R450 PolarHBondContact O-N 3.47Å; C447-R450 PolarHBondContact SG-N 3.21Å; C447-R450 VanDerWaalsContact SG-N 3.42Å; P448-R450 VanDerWaalsContact C-N 3.29Å; P448-R450 PolarHBondContact O-N 2.88Å
451	D	94.1	Very high	92.9	Very high	104 Å²	104	89 Å²	89	56%	0.556	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	9.3	-173.5	-48.8	-72.3	0	0	0	112.2	Y449	Y449-D451 VanDerWaalsContact C-N 3.29Å; Y449-D451 PolarHBondContact O-N 2.67Å
452	C	96	Very high	93.4	Very high	37 Å²	37	81.4 Å²	81.4	25%	0.25	39%	0.392	C	S	.	.			trans	-63.3	137.3	174.6	-177.4	0	0	0	0	111.5	K430 Y449 C457	K430-C452 PolarHBondContact NZ-O 3.08Å; Y449-C452 WeakPolarHBondContact O-CB 3.4Å; Y449-C452 PolarHBondContact O-N 3.04Å; C452-C457 HydrophobicContact CB-CB 4.36Å; C452-C457 VanDerWaalsContact O-CB 3.31Å; C452-C457 WeakPolarHBondContact O-CB 3.45Å
453	T	94.9	Very high	94.1	Very high	124 Å²	124	73.4 Å²	73.4	76%	0.761	36%	0.359	S	S	*	.			trans	-105.5	-9	-169.2	45.7	0	0	0	0	115.2
454	C	95.8	Very high	94.2	Very high	47 Å²	47	77.5 Å²	77.5	32%	0.318	37%	0.373	S	S	.	.	S	Bend	trans	-56.2	158.5	-178.5	73.1	0	0	0	0	112.8	H434 M456 C457 Y458	H434-C454 PolarHBondContact CE1-SG 3.4Å; C454-M456 VanDerWaalsContact C-N 3.29Å; C454-M456 PolarHBondContact O-N 2.7Å; C454-M456 VanDerWaalsContact O-N 3.13Å; C454-C457 CarbonylContact O-C 3.28Å; C454-C457 WeakPolarHBondContact O-CA 3.4Å; C454-C457 WeakPolarHBondContact O-CB 3.23Å; C454-C457 PolarHBondContact O-N 2.75Å; C454-Y458 PolarHBondContact O-N 2.85Å
455	D	94.6	Very high	94.7	Very high	103 Å²	103	77.2 Å²	77.2	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-53.5	-42.4	-170.9	-53.4	-69.9	0	0	0	113.4	C457 Y458 L459 V557	D455-C457 VanDerWaalsContact C-N 3.34Å; D455-C457 PolarHBondContact O-N 3.2Å; D455-Y458 PolarHBondContact O-N 3.49Å; D455-L459 VanDerWaalsContact O-CB 3.23Å; D455-L459 WeakPolarHBondContact O-CB 3.22Å; D455-L459 VanDerWaalsContact O-CG 3.24Å; D455-L459 WeakPolarHBondContact O-CG 3.45Å; D455-L459 PolarHBondContact O-N 3.49Å; D455-V557 HydrophobicContact CB-CG1 3.83Å
456	M	94	Very high	95	Very high	20 Å²	20	67 Å²	67	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-55.4	-46.3	172.1	-79.4	-61.6	-69.8	0	0	112.7	C454 V460 L554 V557 T558	C454-M456 VanDerWaalsContact C-N 3.29Å; C454-M456 PolarHBondContact O-N 2.7Å; C454-M456 VanDerWaalsContact O-N 3.13Å; M456-V460 WeakPolarHBondContact O-CB 3.45Å; M456-V460 WeakPolarHBondContact O-CG2 3.43Å; M456-V460 PolarHBondContact O-N 2.99Å; M456-L554 HydrophobicContact CE-CD1 3.82Å; M456-L554 HydrophobicContact SD-CD1 3.63Å; M456-V557 HydrophobicContact CG-CG1 3.8Å; M456-V557 HydrophobicContact SD-CB 4.15Å; M456-V557 HydrophobicContact SD-CG1 3.84Å; M456-T558 WeakPolarHBondContact CE-OG1 3.48Å; M456-T558 PolarHBondContact SD-OG1 2.93Å
457	C	96.2	Very high	95.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-77.1	-35.2	-179.3	-84	0	0	0	0	113.1	K430 H434 C452 C454 D455 E461	K430-C457 HydrophobicContact CD-CB 3.91Å; K430-C457 VanDerWaalsContact CD-SG 3.53Å; K430-C457 WeakPolarHBondContact CE-O 3.31Å; K430-C457 HydrophobicContact CG-CB 4.24Å; K430-C457 VanDerWaalsContact CG-SG 3.55Å; H434-C457 PolarHBondContact NE2-SG 2.87Å; C452-C457 HydrophobicContact CB-CB 4.36Å; C452-C457 VanDerWaalsContact O-CB 3.31Å; C452-C457 WeakPolarHBondContact O-CB 3.45Å; C454-C457 CarbonylContact O-C 3.28Å; C454-C457 WeakPolarHBondContact O-CA 3.4Å; C454-C457 WeakPolarHBondContact O-CB 3.23Å; C454-C457 PolarHBondContact O-N 2.75Å; D455-C457 VanDerWaalsContact C-N 3.34Å; D455-C457 PolarHBondContact O-N 3.2Å; C457-E461 PolarHBondContact O-N 2.83Å; C457-E461 VanDerWaalsContact O-N 3.12Å
458	Y	96.6	Very high	95.2	Very high	108 Å²	108	65.3 Å²	65.3	42%	0.424	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-50	171.3	169.2	-91.6	0	0	0	110.8	C454 D455 V460 E461 K462	C454-Y458 PolarHBondContact O-N 2.85Å; D455-Y458 PolarHBondContact O-N 3.49Å; Y458-V460 VanDerWaalsContact C-N 3.33Å; Y458-V460 PolarHBondContact O-N 3.48Å; Y458-E461 CarbonylContact O-C 2.95Å; Y458-E461 WeakPolarHBondContact O-CA 3.33Å; Y458-E461 PolarHBondContact O-N 3.13Å; Y458-K462 HydrophobicContact CE1-CD 3.62Å; Y458-K462 PolarHBondContact O-N 2.95Å; Y458-K462 PolarHBondContact OH-NZ 2.87Å; Y458-K462 VanDerWaalsContact OH-NZ 3.16Å
459	L	96.5	Very high	95.3	Very high	15 Å²	15	66 Å²	66	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-64.8	-35	178.2	-72.1	171.2	0	0	0	112.1	D455 E461 K462 G463 N550 D553 L554 V557	D455-L459 VanDerWaalsContact O-CB 3.23Å; D455-L459 WeakPolarHBondContact O-CB 3.22Å; D455-L459 VanDerWaalsContact O-CG 3.24Å; D455-L459 WeakPolarHBondContact O-CG 3.45Å; D455-L459 PolarHBondContact O-N 3.49Å; L459-E461 VanDerWaalsContact C-N 3.28Å; L459-E461 PolarHBondContact O-N 3.1Å; L459-K462 HydrophobicContact CD2-CD 4.48Å; L459-G463 PolarHBondContact O-N 2.94Å; L459-N550 PolarHBondContact O-ND2 3.42Å; L459-D553 HydrophobicContact CD1-CB 4.13Å; L459-D553 HydrophobicContact CD2-CB 4.04Å; L459-L554 HydrophobicContact CB-CB 4.14Å; L459-L554 HydrophobicContact CB-CD1 3.92Å; L459-L554 HydrophobicContact CB-CG 4.43Å; L459-L554 HydrophobicContact CD1-CB 4.37Å; L459-V557 HydrophobicContact CD1-CB 4.2Å; L459-V557 HydrophobicContact CD1-CG2 3.75Å
460	V	95.6	Very high	95.2	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-36	169.6	165	0	0	0	0	111.9	R429 K430 M456 Y458 R464 L554	R429-V460 HydrophobicContact CB-CG1 4.12Å; R429-V460 HydrophobicContact CB-CG2 4.04Å; R429-V460 HydrophobicContact CG-CG2 3.71Å; K430-V460 HydrophobicContact CG-CB 4.29Å; K430-V460 HydrophobicContact CG-CG1 3.75Å; M456-V460 WeakPolarHBondContact O-CB 3.45Å; M456-V460 WeakPolarHBondContact O-CG2 3.43Å; M456-V460 PolarHBondContact O-N 2.99Å; Y458-V460 VanDerWaalsContact C-N 3.33Å; Y458-V460 PolarHBondContact O-N 3.48Å; V460-R464 VanDerWaalsContact O-CG 3.31Å; V460-R464 WeakPolarHBondContact O-CG 3.25Å; V460-R464 PolarHBondContact O-N 2.9Å; V460-R464 VanDerWaalsContact O-N 3.13Å; V460-L554 HydrophobicContact CG2-CD1 4.12Å; V460-L554 HydrophobicContact CG2-CD2 3.86Å
461	E	95	Very high	95.2	Very high	60 Å²	60	61.8 Å²	61.8	28%	0.28	32%	0.315	S	S	.	.	H	α-helix	trans	-80.6	-39.4	177.8	-155	59.9	-125.3	0	0	113	C457 Y458 L459 G463 R464 R465	C457-E461 PolarHBondContact O-N 2.83Å; C457-E461 VanDerWaalsContact O-N 3.12Å; Y458-E461 CarbonylContact O-C 2.95Å; Y458-E461 WeakPolarHBondContact O-CA 3.33Å; Y458-E461 PolarHBondContact O-N 3.13Å; L459-E461 VanDerWaalsContact C-N 3.28Å; L459-E461 PolarHBondContact O-N 3.1Å; E461-G463 PolarHBondContact O-N 3.29Å; E461-R464 VanDerWaalsContact CD-CD 3.43Å; E461-R464 WeakPolarHBondContact O-CB 3.45Å; E461-R464 PolarHBondContact O-N 3.47Å; E461-R464 WeakPolarHBondContact OE1-CB 3.35Å; E461-R464 WeakPolarHBondContact OE1-CD 3.35Å; E461-R464 WeakPolarHBondContact OE2-CD 3.43Å; E461-R464 IonicContact OE2-CZ 3Å; E461-R464 IonicContact OE2-NE 2.9Å; E461-R464 IonicContact OE2-NH1 3.48Å; E461-R464 PolarHBondContact OE2-NH1 3.16Å; E461-R465 WeakPolarHBondContact O-CG 3.33Å; E461-R465 PolarHBondContact O-N 3.12Å
462	K	95.9	Very high	95.2	Very high	61 Å²	61	58.9 Å²	58.9	27%	0.265	31%	0.306	S	S	.	.	H	α-helix	trans	-53.5	-44.2	169	-163.2	163.7	-171.3	164.7	0	109.3	D203 Y458 L459 R465 I466	D203-K462 IonicContact OD2-NZ 3.56Å; D203-K462 PolarHBondContact OD2-NZ 2.93Å; Y458-K462 HydrophobicContact CE1-CD 3.62Å; Y458-K462 PolarHBondContact O-N 2.95Å; Y458-K462 PolarHBondContact OH-NZ 2.87Å; Y458-K462 VanDerWaalsContact OH-NZ 3.16Å; L459-K462 HydrophobicContact CD2-CD 4.48Å; K462-R465 PolarHBondContact O-N 3.31Å; K462-I466 HydrophobicContact CG-CD1 4.41Å; K462-I466 WeakPolarHBondContact O-CD1 3.2Å; K462-I466 VanDerWaalsContact O-CG1 3.27Å; K462-I466 WeakPolarHBondContact O-CG1 3.45Å; K462-I466 PolarHBondContact O-N 2.88Å
463	G	96.2	Very high	95	Very high	13 Å²	13	59.4 Å²	59.4	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-37	173.3	0	0	0	0	0	115.4	L459 E461 V467 N550	L459-G463 PolarHBondContact O-N 2.94Å; E461-G463 PolarHBondContact O-N 3.29Å; G463-V467 WeakPolarHBondContact O-CG2 3.38Å; G463-V467 PolarHBondContact O-N 2.96Å; G463-V467 VanDerWaalsContact O-N 3.13Å; G463-N550 WeakPolarHBondContact CA-OD1 3.28Å; G463-N550 PolarHBondContact N-OD1 2.78Å
464	R	93.9	Very high	94.7	Very high	105 Å²	105	59.3 Å²	59.3	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-43.8	172.7	-74.5	162.8	177	-177.9	0.4	111.3	V460 E461 V467 A468	V460-R464 VanDerWaalsContact O-CG 3.31Å; V460-R464 WeakPolarHBondContact O-CG 3.25Å; V460-R464 PolarHBondContact O-N 2.9Å; V460-R464 VanDerWaalsContact O-N 3.13Å; E461-R464 VanDerWaalsContact CD-CD 3.43Å; E461-R464 WeakPolarHBondContact O-CB 3.45Å; E461-R464 PolarHBondContact O-N 3.47Å; E461-R464 WeakPolarHBondContact OE1-CB 3.35Å; E461-R464 WeakPolarHBondContact OE1-CD 3.35Å; E461-R464 WeakPolarHBondContact OE2-CD 3.43Å; E461-R464 IonicContact OE2-CZ 3Å; E461-R464 IonicContact OE2-NE 2.9Å; E461-R464 IonicContact OE2-NH1 3.48Å; E461-R464 PolarHBondContact OE2-NH1 3.16Å; R464-V467 PolarHBondContact O-N 3.44Å; R464-A468 PolarHBondContact O-N 2.89Å
465	R	96.2	Very high	94.4	Very high	167 Å²	167	64.8 Å²	64.8	63%	0.63	31%	0.309	S	S	*	.	H	α-helix	trans	-59.9	-48.6	176.6	-66.8	174.6	-172.4	-170.4	2.1	111.6	E461 K462 V467 A468 Q469	E461-R465 WeakPolarHBondContact O-CG 3.33Å; E461-R465 PolarHBondContact O-N 3.12Å; K462-R465 PolarHBondContact O-N 3.31Å; R465-V467 VanDerWaalsContact C-N 3.32Å; R465-V467 PolarHBondContact O-N 2.93Å; R465-A468 WeakPolarHBondContact O-CB 3.45Å; R465-A468 PolarHBondContact O-N 3.39Å; R465-A468 VanDerWaalsContact O-N 3.11Å; R465-Q469 WeakPolarHBondContact O-CG 3.43Å; R465-Q469 PolarHBondContact O-N 3.44Å
466	I	95.7	Very high	94.2	Very high	10 Å²	10	63.6 Å²	63.6	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-59.1	-41.4	176.9	-66.3	158.8	0	0	0	111.6	K462 Q470 L543 L546 R547 N550	K462-I466 HydrophobicContact CG-CD1 4.41Å; K462-I466 WeakPolarHBondContact O-CD1 3.2Å; K462-I466 VanDerWaalsContact O-CG1 3.27Å; K462-I466 WeakPolarHBondContact O-CG1 3.45Å; K462-I466 PolarHBondContact O-N 2.88Å; I466-Q470 WeakPolarHBondContact O-CB 3.41Å; I466-Q470 PolarHBondContact O-N 3.49Å; I466-L543 HydrophobicContact CG2-CD2 4.23Å; I466-L546 HydrophobicContact CD1-CB 3.95Å; I466-L546 HydrophobicContact CG1-CB 4.19Å; I466-L546 HydrophobicContact CG2-CB 4.32Å; I466-R547 HydrophobicContact CG2-CB 3.83Å; I466-R547 HydrophobicContact CG2-CG 4.3Å; I466-N550 HydrophobicContact CD1-CB 3.88Å
467	V	95.1	Very high	93.7	Very high	44 Å²	44	67 Å²	67	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-69.1	-35.9	176.3	170.5	0	0	0	0	112	G463 R464 R465 Q470 I471	G463-V467 WeakPolarHBondContact O-CG2 3.38Å; G463-V467 PolarHBondContact O-N 2.96Å; G463-V467 VanDerWaalsContact O-N 3.13Å; R464-V467 PolarHBondContact O-N 3.44Å; R465-V467 VanDerWaalsContact C-N 3.32Å; R465-V467 PolarHBondContact O-N 2.93Å; V467-Q470 PolarHBondContact O-N 2.89Å; V467-I471 HydrophobicContact CG1-CD1 3.87Å; V467-I471 VanDerWaalsContact O-CG1 3.28Å; V467-I471 WeakPolarHBondContact O-CG1 3.49Å; V467-I471 PolarHBondContact O-N 2.83Å
468	A	95.9	Very high	93.1	Very high	58 Å²	58	72.9 Å²	72.9	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-46.3	174.8	0	0	0	0	0	111.8	R464 R465 Q470 I471 A472	R464-A468 PolarHBondContact O-N 2.89Å; R465-A468 WeakPolarHBondContact O-CB 3.45Å; R465-A468 PolarHBondContact O-N 3.39Å; R465-A468 VanDerWaalsContact O-N 3.11Å; A468-Q470 VanDerWaalsContact C-N 3.34Å; A468-Q470 PolarHBondContact O-N 2.8Å; A468-I471 PolarHBondContact O-N 3.49Å; A468-I471 VanDerWaalsContact O-N 3.17Å; A468-A472 PolarHBondContact O-N 3.45Å
469	Q	95.8	Very high	92.4	Very high	101 Å²	101	71.1 Å²	71.1	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-44.8	173.1	-70.8	168.6	-30.6	0	0	111.6	R465 I471 A472 L473 L543	R465-Q469 WeakPolarHBondContact O-CG 3.43Å; R465-Q469 PolarHBondContact O-N 3.44Å; Q469-I471 VanDerWaalsContact C-N 3.28Å; Q469-I471 PolarHBondContact O-N 3.49Å; Q469-A472 WeakPolarHBondContact O-CB 3.37Å; Q469-A472 PolarHBondContact O-N 3.43Å; Q469-A472 VanDerWaalsContact O-N 3.16Å; Q469-L473 PolarHBondContact O-N 3.18Å; Q469-L543 HydrophobicContact CB-CD1 3.99Å; Q469-L543 HydrophobicContact CB-CD2 3.85Å
470	Q	92.1	Very high	91.3	Very high	33 Å²	33	74.5 Å²	74.5	15%	0.154	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-31.5	178.2	-177.3	165.2	68.3	0	0	112.9	I466 V467 A468 F474 L543	I466-Q470 WeakPolarHBondContact O-CB 3.41Å; I466-Q470 PolarHBondContact O-N 3.49Å; V467-Q470 PolarHBondContact O-N 2.89Å; A468-Q470 VanDerWaalsContact C-N 3.34Å; A468-Q470 PolarHBondContact O-N 2.8Å; Q470-F474 WeakPolarHBondContact O-CB 3.4Å; Q470-F474 PolarHBondContact O-N 3.32Å; Q470-L543 HydrophobicContact CB-CD1 4.05Å
471	I	92.6	Very high	90.1	Very high	81 Å²	81	79 Å²	79	42%	0.415	39%	0.387	S	S	.	.	H	α-helix	trans	-75.4	-36.9	174	-70	166.2	0	0	0	111.3	V467 A468 Q469 R475	V467-I471 HydrophobicContact CG1-CD1 3.87Å; V467-I471 VanDerWaalsContact O-CG1 3.28Å; V467-I471 WeakPolarHBondContact O-CG1 3.49Å; V467-I471 PolarHBondContact O-N 2.83Å; A468-I471 PolarHBondContact O-N 3.49Å; A468-I471 VanDerWaalsContact O-N 3.17Å; Q469-I471 VanDerWaalsContact C-N 3.28Å; Q469-I471 PolarHBondContact O-N 3.49Å; I471-R475 VanDerWaalsContact O-CG 3.27Å; I471-R475 WeakPolarHBondContact O-CG 3.38Å; I471-R475 PolarHBondContact O-N 2.97Å
472	A	94.7	Very high	88.4	Confident	43 Å²	43	80.2 Å²	80.2	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-60.2	175.4	0	0	0	0	0	110.9	A468 Q469 F474 R475 D476	A468-A472 PolarHBondContact O-N 3.45Å; Q469-A472 WeakPolarHBondContact O-CB 3.37Å; Q469-A472 PolarHBondContact O-N 3.43Å; Q469-A472 VanDerWaalsContact O-N 3.16Å; A472-F474 PolarHBondContact O-N 2.61Å; A472-F474 VanDerWaalsContact O-N 3.08Å; A472-R475 WeakPolarHBondContact O-CA 3.46Å; A472-R475 WeakPolarHBondContact O-CB 3.5Å; A472-R475 PolarHBondContact O-N 3.39Å; A472-D476 PolarHBondContact O-N 2.91Å; A472-D476 VanDerWaalsContact O-OD2 3.07Å
473	L	91.9	Very high	86.8	Confident	48 Å²	48	84 Å²	84	25%	0.251	41%	0.409	S	S	.	.	H	α-helix	trans	-55.7	-35.1	-179.9	-63.1	-177.3	0	0	0	113.3	Q469 D476 Q477 D539 Q540 L543	Q469-L473 PolarHBondContact O-N 3.18Å; L473-D476 PolarHBondContact O-N 2.78Å; L473-Q477 WeakPolarHBondContact O-CB 3.32Å; L473-Q477 VanDerWaalsContact O-CG 3.24Å; L473-Q477 WeakPolarHBondContact O-CG 3.27Å; L473-Q477 PolarHBondContact O-N 3.44Å; L473-D539 HydrophobicContact CD1-CB 3.53Å; L473-Q540 HydrophobicContact CD1-CG 4.42Å; L473-L543 HydrophobicContact CD1-CD1 3.6Å; L473-L543 HydrophobicContact CG-CD1 4.45Å
474	F	88.2	Confident	84.9	Confident	121 Å²	121	89.3 Å²	89.3	53%	0.531	43%	0.434	S	S	.	.	H	α-helix	trans	-71.4	-33.8	175.8	-175.5	-105.2	0	0	0	113.2	Q470 A472 K478	Q470-F474 WeakPolarHBondContact O-CB 3.4Å; Q470-F474 PolarHBondContact O-N 3.32Å; A472-F474 PolarHBondContact O-N 2.61Å; A472-F474 VanDerWaalsContact O-N 3.08Å; F474-K478 WeakPolarHBondContact O-CB 3.33Å; F474-K478 PolarHBondContact O-N 3.31Å
475	R	90.6	Very high	83.1	Confident	163 Å²	163	85.6 Å²	85.6	62%	0.615	42%	0.424	S	S	*	.	H	α-helix	trans	-66.6	-43.9	170.5	-72.9	167.9	176	-163.9	-1.3	110.6	I471 A472 K478 N479	I471-R475 VanDerWaalsContact O-CG 3.27Å; I471-R475 WeakPolarHBondContact O-CG 3.38Å; I471-R475 PolarHBondContact O-N 2.97Å; A472-R475 WeakPolarHBondContact O-CA 3.46Å; A472-R475 WeakPolarHBondContact O-CB 3.5Å; A472-R475 PolarHBondContact O-N 3.39Å; R475-K478 CarbonylContact O-C 3.53Å; R475-K478 WeakPolarHBondContact O-CB 3.44Å; R475-K478 PolarHBondContact O-N 2.87Å; R475-K478 VanDerWaalsContact O-N 3.13Å; R475-N479 WeakPolarHBondContact O-CB 3.48Å; R475-N479 PolarHBondContact O-N 2.94Å; R475-N479 PolarHBondContact O-ND2 3.35Å; R475-N479 PolarHBondContact O-OD1 3.08Å
476	D	89.6	Confident	81.2	Confident	77 Å²	77	86.1 Å²	86.1	41%	0.412	43%	0.427	S	S	.	.	H	α-helix	trans	-69.4	-39.4	-176.5	-59.5	-39.1	0	0	0	112	A472 L473 K478 N479 N480	A472-D476 PolarHBondContact O-N 2.91Å; A472-D476 VanDerWaalsContact O-OD2 3.07Å; L473-D476 PolarHBondContact O-N 2.78Å; D476-K478 PolarHBondContact O-N 2.99Å; D476-N479 PolarHBondContact O-N 3.44Å; D476-N480 WeakPolarHBondContact O-CB 3.46Å; D476-N480 VanDerWaalsContact O-CG 3.23Å; D476-N480 PolarHBondContact O-N 3.45Å; D476-N480 PolarHBondContact O-ND2 3.21Å
477	Q	83.9	Confident	79.4	Confident	92 Å²	92	94 Å²	94	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-55.8	-47.4	167	-76.2	175.4	-12.9	0	0	112	L473 N479 N480 V481 Q540	L473-Q477 WeakPolarHBondContact O-CB 3.32Å; L473-Q477 VanDerWaalsContact O-CG 3.24Å; L473-Q477 WeakPolarHBondContact O-CG 3.27Å; L473-Q477 PolarHBondContact O-N 3.44Å; Q477-N479 PolarHBondContact O-N 2.8Å; Q477-N480 PolarHBondContact O-N 3.24Å; Q477-V481 WeakPolarHBondContact O-CG2 3.39Å; Q477-V481 PolarHBondContact O-N 2.99Å; Q477-Q540 VanDerWaalsContact OE1-NE2 3.17Å
478	K	82.4	Confident	77.1	Confident	124 Å²	124	99.5 Å²	99.5	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-40.3	177.3	-175	178.5	177.7	-177.8	0	112.3	F474 R475 D476 Q482	F474-K478 WeakPolarHBondContact O-CB 3.33Å; F474-K478 PolarHBondContact O-N 3.31Å; R475-K478 CarbonylContact O-C 3.53Å; R475-K478 WeakPolarHBondContact O-CB 3.44Å; R475-K478 PolarHBondContact O-N 2.87Å; R475-K478 VanDerWaalsContact O-N 3.13Å; D476-K478 PolarHBondContact O-N 2.99Å; K478-Q482 WeakPolarHBondContact O-CB 3.33Å; K478-Q482 WeakPolarHBondContact O-CG 3.48Å; K478-Q482 PolarHBondContact O-N 3.48Å
479	N	82.1	Confident	75.1	Confident	71 Å²	71	102 Å²	102	38%	0.38	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-40.3	178.6	-67.3	-21.2	0	0	0	111.3	R475 D476 Q477 Q482 K483	R475-N479 WeakPolarHBondContact O-CB 3.48Å; R475-N479 PolarHBondContact O-N 2.94Å; R475-N479 PolarHBondContact O-ND2 3.35Å; R475-N479 PolarHBondContact O-OD1 3.08Å; D476-N479 PolarHBondContact O-N 3.44Å; Q477-N479 PolarHBondContact O-N 2.8Å; N479-Q482 PolarHBondContact O-N 2.93Å; N479-K483 WeakPolarHBondContact O-CG 3.47Å; N479-K483 PolarHBondContact O-N 3.34Å
480	N	74.6	Confident	73.2	Confident	86 Å²	86	107.9 Å²	107.9	46%	0.46	51%	0.507	S	S	.	.	H	α-helix	trans	-70.3	-43.3	177.5	-69.8	-19.2	0	0	0	111.7	D476 Q477 Q482 K483 L484	D476-N480 WeakPolarHBondContact O-CB 3.46Å; D476-N480 VanDerWaalsContact O-CG 3.23Å; D476-N480 PolarHBondContact O-N 3.45Å; D476-N480 PolarHBondContact O-ND2 3.21Å; Q477-N480 PolarHBondContact O-N 3.24Å; N480-Q482 VanDerWaalsContact C-N 3.27Å; N480-Q482 PolarHBondContact O-N 3.44Å; N480-K483 PolarHBondContact O-N 3.11Å; N480-L484 VanDerWaalsContact O-CD1 3.25Å; N480-L484 WeakPolarHBondContact O-CD1 3.36Å; N480-L484 PolarHBondContact O-N 2.94Å
481	V	69	Low	71.5	Confident	101 Å²	101	110.1 Å²	110.1	61%	0.612	53%	0.526	S	S	*	.	H	α-helix	trans	-57.9	-41.5	169.9	170	0	0	0	0	110.8	Q477 S485	Q477-V481 WeakPolarHBondContact O-CG2 3.39Å; Q477-V481 PolarHBondContact O-N 2.99Å; V481-S485 WeakPolarHBondContact O-CB 3.31Å; V481-S485 PolarHBondContact O-N 3.4Å; V481-S485 PolarHBondContact O-OG 2.87Å
482	Q	60.7	Low	70.1	Confident	86 Å²	86	109.7 Å²	109.7	40%	0.402	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-51.2	174.5	-79.5	-175.7	-7.3	0	0	111.7	K478 N479 N480 L484 S485 Y486	K478-Q482 WeakPolarHBondContact O-CB 3.33Å; K478-Q482 WeakPolarHBondContact O-CG 3.48Å; K478-Q482 PolarHBondContact O-N 3.48Å; N479-Q482 PolarHBondContact O-N 2.93Å; N480-Q482 VanDerWaalsContact C-N 3.27Å; N480-Q482 PolarHBondContact O-N 3.44Å; Q482-L484 PolarHBondContact O-N 2.92Å; Q482-S485 WeakPolarHBondContact CA-OG 3.46Å; Q482-S485 CarbonylContact O-C 3.21Å; Q482-S485 WeakPolarHBondContact O-CA 3.45Å; Q482-S485 PolarHBondContact O-N 3.48Å; Q482-S485 PolarHBondContact O-OG 3.08Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.37Å; Q482-Y486 PolarHBondContact O-N 2.87Å
483	K	61.2	Low	68.4	Low	141 Å²	141	111.6 Å²	111.6	61%	0.613	53%	0.525	S	S	*	.	H	α-helix	trans	-53.9	-51.7	177.9	-75.6	174.3	178.9	177.2	0	112.5	N479 N480 S485 Y486	N479-K483 WeakPolarHBondContact O-CG 3.47Å; N479-K483 PolarHBondContact O-N 3.34Å; N480-K483 PolarHBondContact O-N 3.11Å; K483-S485 VanDerWaalsContact C-N 3.26Å; K483-S485 PolarHBondContact O-N 3.33Å; K483-Y486 PolarHBondContact O-N 3.21Å; K483-Y486 VanDerWaalsContact O-N 3.11Å
484	L	57.6	Low	66.6	Low	123 Å²	123	115.1 Å²	115.1	64%	0.644	54%	0.544	S	S	*	.	H	α-helix	trans	-59.9	-38.9	175.5	-86.1	77.5	0	0	0	111.5	N480 Q482 Y486 Q487 K488	N480-L484 VanDerWaalsContact O-CD1 3.25Å; N480-L484 WeakPolarHBondContact O-CD1 3.36Å; N480-L484 PolarHBondContact O-N 2.94Å; Q482-L484 PolarHBondContact O-N 2.92Å; L484-Y486 PolarHBondContact O-N 2.84Å; L484-Q487 PolarHBondContact O-N 3.07Å; L484-K488 PolarHBondContact O-N 2.89Å
485	S	54.3	Low	65.1	Low	27 Å²	27	114.3 Å²	114.3	19%	0.189	54%	0.544	C	S	.	.	H	α-helix	trans	-76.8	2	178.8	85.9	0	0	0	0	115.5	V481 Q482 K483 K493	V481-S485 WeakPolarHBondContact O-CB 3.31Å; V481-S485 PolarHBondContact O-N 3.4Å; V481-S485 PolarHBondContact O-OG 2.87Å; Q482-S485 WeakPolarHBondContact CA-OG 3.46Å; Q482-S485 CarbonylContact O-C 3.21Å; Q482-S485 WeakPolarHBondContact O-CA 3.45Å; Q482-S485 PolarHBondContact O-N 3.48Å; Q482-S485 PolarHBondContact O-OG 3.08Å; K483-S485 VanDerWaalsContact C-N 3.26Å; K483-S485 PolarHBondContact O-N 3.33Å; S485-K493 VanDerWaalsContact CB-CE 3.48Å; S485-K493 VanDerWaalsContact CB-NZ 3.29Å; S485-K493 PolarHBondContact O-NZ 2.88Å; S485-K493 WeakPolarHBondContact OG-CE 3.44Å; S485-K493 PolarHBondContact OG-NZ 3.13Å
486	Y	56.3	Low	63.5	Low	179 Å²	179	111 Å²	111	70%	0.702	54%	0.537	S	S	*	.	H	α-helix	trans	-96.9	-13.8	164.2	-81.3	-74.2	0	0	0	112.3	Q482 K483 L484	Q482-Y486 WeakPolarHBondContact O-CD2 3.37Å; Q482-Y486 PolarHBondContact O-N 2.87Å; K483-Y486 PolarHBondContact O-N 3.21Å; K483-Y486 VanDerWaalsContact O-N 3.11Å; L484-Y486 PolarHBondContact O-N 2.84Å
487	Q	58.5	Low	62	Low	176 Å²	176	112 Å²	112	82%	0.822	54%	0.542	S	S	*	.	H	α-helix	trans	-103	-11.7	174.4	-69.9	-178.7	-27.2	0	0	113.7	L484	L484-Q487 PolarHBondContact O-N 3.07Å
488	K	48.1	Very low	60.5	Low	158 Å²	158	114.9 Å²	114.9	69%	0.687	55%	0.553	S	S	*	*	S	Bend	trans	-113.5	119.8	163.9	-87.9	-173.7	172.5	-178.7	0	111.6	L484	L484-K488 PolarHBondContact O-N 2.89Å
489	D	53.2	Low	59	Low	110 Å²	110	114.9 Å²	114.9	59%	0.588	56%	0.555	S	S	*	*			trans	-0.9	134.2	173.7	-83.6	-68.9	0	0	0	121.5	S491 I492	D489-S491 WeakPolarHBondContact CB-OG 3.47Å; D489-S491 PolarHBondContact O-N 3.33Å; D489-I492 HydrophobicContact CB-CD1 4.17Å; D489-I492 HydrophobicContact CB-CG1 4.16Å; D489-I492 PolarHBondContact O-N 2.74Å
490	R	56.4	Low	57.6	Low	225 Å²	225	115 Å²	115	85%	0.849	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-17.7	170.4	-68	-175.9	177.4	-171.7	0.2	113.6
491	S	56.7	Low	56.7	Low	80 Å²	80	115.8 Å²	115.8	56%	0.559	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-35.9	179.5	54.4	0	0	0	0	113.5	D489 K493	D489-S491 WeakPolarHBondContact CB-OG 3.47Å; D489-S491 PolarHBondContact O-N 3.33Å; S491-K493 PolarHBondContact O-N 2.71Å
492	I	61.8	Low	55.7	Low	73 Å²	73	116.6 Å²	116.6	37%	0.374	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-30.6	-170.4	-61.2	176.6	0	0	0	112.5	D489 N494 I495 I496	D489-I492 HydrophobicContact CB-CD1 4.17Å; D489-I492 HydrophobicContact CB-CG1 4.16Å; D489-I492 PolarHBondContact O-N 2.74Å; I492-N494 PolarHBondContact O-N 2.94Å; I492-N494 VanDerWaalsContact O-N 3.13Å; I492-I495 PolarHBondContact O-N 2.71Å; I492-I496 HydrophobicContact CG2-CD1 3.56Å; I492-I496 HydrophobicContact CG2-CG1 3.97Å; I492-I496 PolarHBondContact O-N 2.83Å
493	K	58.9	Low	55	Low	83 Å²	83	119.6 Å²	119.6	36%	0.361	58%	0.584	S	S	.	*	H	α-helix	trans	-56.9	-31.2	-175.3	-85.8	169.2	170.6	156	0	114.4	S485 S491 I497	S485-K493 VanDerWaalsContact CB-CE 3.48Å; S485-K493 VanDerWaalsContact CB-NZ 3.29Å; S485-K493 PolarHBondContact O-NZ 2.88Å; S485-K493 WeakPolarHBondContact OG-CE 3.44Å; S485-K493 PolarHBondContact OG-NZ 3.13Å; S491-K493 PolarHBondContact O-N 2.71Å; K493-I497 VanDerWaalsContact O-CD1 3.31Å; K493-I497 WeakPolarHBondContact O-CD1 3.32Å; K493-I497 WeakPolarHBondContact O-CG1 3.29Å; K493-I497 PolarHBondContact O-N 3.3Å
494	N	54.1	Low	54.5	Low	122 Å²	122	118.6 Å²	118.6	65%	0.652	59%	0.585	S	S	*	*	H	α-helix	trans	-80.7	-16	-178.6	-70.1	-15.5	0	0	0	113.9	I492	I492-N494 PolarHBondContact O-N 2.94Å; I492-N494 VanDerWaalsContact O-N 3.13Å
495	I	57	Low	54	Low	103 Å²	103	118.7 Å²	118.7	53%	0.528	59%	0.586	S	S	.	*	H	α-helix	trans	-86.7	-55.5	178.3	-59.4	174.4	0	0	0	109.2	I492 I497 K498 E499	I492-I495 PolarHBondContact O-N 2.71Å; I495-I497 PolarHBondContact O-N 3.22Å; I495-I497 VanDerWaalsContact O-N 3.13Å; I495-K498 PolarHBondContact O-N 2.75Å; I495-E499 PolarHBondContact O-N 3.34Å; I495-E499 VanDerWaalsContact O-N 3.15Å
496	I	57.4	Low	53.9	Low	94 Å²	94	126.4 Å²	126.4	48%	0.482	62%	0.619	S	S	.	*	H	α-helix	trans	-56	-36.3	-179.4	-63.1	-179.4	0	0	0	111.9	I492 S500	I492-I496 HydrophobicContact CG2-CD1 3.56Å; I492-I496 HydrophobicContact CG2-CG1 3.97Å; I492-I496 PolarHBondContact O-N 2.83Å; I496-S500 VanDerWaalsContact O-CB 3.27Å; I496-S500 WeakPolarHBondContact O-CB 3.46Å; I496-S500 PolarHBondContact O-N 3.28Å; I496-S500 PolarHBondContact O-OG 3.09Å
497	I	56.8	Low	53.9	Low	99 Å²	99	121.4 Å²	121.4	51%	0.508	61%	0.605	S	S	.	*	H	α-helix	trans	-67.5	-37.4	177.6	-70	172.7	0	0	0	111.8	K493 I495 L501	K493-I497 VanDerWaalsContact O-CD1 3.31Å; K493-I497 WeakPolarHBondContact O-CD1 3.32Å; K493-I497 WeakPolarHBondContact O-CG1 3.29Å; K493-I497 PolarHBondContact O-N 3.3Å; I495-I497 PolarHBondContact O-N 3.22Å; I495-I497 VanDerWaalsContact O-N 3.13Å; I497-L501 HydrophobicContact CG2-CD1 3.95Å; I497-L501 WeakPolarHBondContact O-CD1 3.37Å; I497-L501 VanDerWaalsContact O-CG 3.23Å; I497-L501 WeakPolarHBondContact O-CG 3.36Å; I497-L501 PolarHBondContact O-N 3.17Å
498	K	53	Low	54	Low	151 Å²	151	121.3 Å²	121.3	66%	0.657	61%	0.61	S	S	*	*	H	α-helix	trans	-69.9	-42.4	177.3	-80.8	-172.6	169.3	-172.1	0	112.1	I495 S500 L501 N502	I495-K498 PolarHBondContact O-N 2.75Å; K498-S500 VanDerWaalsContact C-N 3.31Å; K498-S500 PolarHBondContact O-N 2.96Å; K498-L501 PolarHBondContact O-N 3Å; K498-N502 PolarHBondContact O-N 2.94Å; K498-N502 PolarHBondContact O-OD1 2.78Å
499	E	50.8	Low	55.2	Low	125 Å²	125	115 Å²	115	58%	0.584	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-36.5	176.7	-65.2	172.8	142.9	0	0	111.7	I495 L501 N502	I495-E499 PolarHBondContact O-N 3.34Å; I495-E499 VanDerWaalsContact O-N 3.15Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 PolarHBondContact O-N 2.85Å; E499-N502 PolarHBondContact O-N 3.4Å
500	S	53.5	Low	56.8	Low	74 Å²	74	114.9 Å²	114.9	52%	0.517	59%	0.594	S	S	.	*	H	α-helix	trans	-69.1	-25.1	175.7	-59.1	0	0	0	0	113.9	I496 K498	I496-S500 VanDerWaalsContact O-CB 3.27Å; I496-S500 WeakPolarHBondContact O-CB 3.46Å; I496-S500 PolarHBondContact O-N 3.28Å; I496-S500 PolarHBondContact O-OG 3.09Å; K498-S500 VanDerWaalsContact C-N 3.31Å; K498-S500 PolarHBondContact O-N 2.96Å
501	L	56	Low	58.4	Low	101 Å²	101	106.6 Å²	106.6	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-82.6	-28.5	178.6	-75	166.6	0	0	0	112.8	I497 K498 E499 N503 I504	I497-L501 HydrophobicContact CG2-CD1 3.95Å; I497-L501 WeakPolarHBondContact O-CD1 3.37Å; I497-L501 VanDerWaalsContact O-CG 3.23Å; I497-L501 WeakPolarHBondContact O-CG 3.36Å; I497-L501 PolarHBondContact O-N 3.17Å; K498-L501 PolarHBondContact O-N 3Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 PolarHBondContact O-N 2.85Å; L501-N503 VanDerWaalsContact C-N 3.33Å; L501-N503 PolarHBondContact O-N 3.36Å; L501-I504 HydrophobicContact CD2-CD1 3.95Å; L501-I504 WeakPolarHBondContact O-CG1 3.29Å; L501-I504 PolarHBondContact O-N 3.2Å
502	N	47.9	Very low	60.2	Low	119 Å²	119	102.9 Å²	102.9	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-77.3	-15.8	-175.3	-69.5	-3.7	0	0	0	114	K498 E499 I504 N505	K498-N502 PolarHBondContact O-N 2.94Å; K498-N502 PolarHBondContact O-OD1 2.78Å; E499-N502 PolarHBondContact O-N 3.4Å; N502-I504 VanDerWaalsContact C-N 3.33Å; N502-N505 PolarHBondContact O-ND2 2.99Å; N502-N505 VanDerWaalsContact O-ND2 3.11Å
503	N	46.5	Very low	61.6	Low	148 Å²	148	103.2 Å²	103.2	79%	0.791	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	14.1	173.9	-77.5	-47.8	0	0	0	113.7	L501 N505	L501-N503 VanDerWaalsContact C-N 3.33Å; L501-N503 PolarHBondContact O-N 3.36Å; N503-N505 PolarHBondContact O-N 3.45Å
504	I	50.7	Low	63.2	Low	120 Å²	120	100.5 Å²	100.5	62%	0.615	52%	0.523	S	S	*	.			trans	-96.5	65.3	177.7	-48.5	178.7	0	0	0	109.6	L501 N502	L501-I504 HydrophobicContact CD2-CD1 3.95Å; L501-I504 WeakPolarHBondContact O-CG1 3.29Å; L501-I504 PolarHBondContact O-N 3.2Å; N502-I504 VanDerWaalsContact C-N 3.33Å
505	N	46	Very low	65.1	Low	126 Å²	126	94.7 Å²	94.7	67%	0.674	49%	0.492	S	S	*	.			trans	-136.7	143.2	179.9	-71.6	-66.2	0	0	0	111.5	N502 N503 D507	N502-N505 PolarHBondContact O-ND2 2.99Å; N502-N505 VanDerWaalsContact O-ND2 3.11Å; N503-N505 PolarHBondContact O-N 3.45Å; N505-D507 PolarHBondContact O-N 3.36Å
506	E	51.3	Low	66.9	Low	189 Å²	189	96.1 Å²	96.1	88%	0.883	49%	0.491	S	S	*	.	S	Bend	trans	69.3	-5.1	162.1	-61.3	-72.7	104.4	0	0	121.5
507	D	56.6	Low	68.5	Low	74 Å²	74	93.2 Å²	93.2	40%	0.396	48%	0.477	S	S	.	.			trans	-122.8	82.9	168.8	-157	-30	0	0	0	113.1	N505 G509 H511 S523	N505-D507 PolarHBondContact O-N 3.36Å; D507-G509 PolarHBondContact O-N 3.05Å; D507-G509 VanDerWaalsContact O-N 3.14Å; D507-G509 PolarHBondContact OD1-N 3.39Å; D507-H511 PolarHBondContact O-CE1 3.37Å; D507-S523 WeakPolarHBondContact OD1-CB 3.35Å; D507-S523 WeakPolarHBondContact OD2-CB 3.32Å; D507-S523 PolarHBondContact OD2-OG 3.26Å
508	N	60.8	Low	70.2	Confident	174 Å²	174	90.7 Å²	90.7	93%	0.93	46%	0.463	S	S	*	.			trans	-74.5	10.6	176.4	-73.5	-51.3	0	0	0	113.9
509	G	72.9	Confident	72	Confident	26 Å²	26	86.8 Å²	86.8	27%	0.268	47%	0.465	S	S	.	.	S	Bend	trans	-73.3	164.3	-177.6	0	0	0	0	0	114.7	D507 H511	D507-G509 PolarHBondContact O-N 3.05Å; D507-G509 VanDerWaalsContact O-N 3.14Å; D507-G509 PolarHBondContact OD1-N 3.39Å; G509-H511 PolarHBondContact O-CE1 3.23Å; G509-H511 PolarHBondContact O-N 3.19Å; G509-H511 PolarHBondContact O-ND1 2.88Å
510	P	87.4	Confident	73.9	Confident	106 Å²	106	83.7 Å²	83.7	69%	0.688	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-62.3	130.2	163.7	27.3	-32.7	0	0	0	109.3	W524	P510-W524 HydrophobicContact CG-CB 4.33Å; P510-W524 WeakPolarHBondContact O-CB 3.47Å; P510-W524 PolarHBondContact O-N 3.22Å
511	H	90.5	Very high	75.7	Confident	51 Å²	51	84.9 Å²	84.9	24%	0.236	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-95.9	153.9	-176.5	-72.1	72.5	0	0	0	113.5	D507 G509 R513 N521 I522	D507-H511 PolarHBondContact O-CE1 3.37Å; G509-H511 PolarHBondContact O-CE1 3.23Å; G509-H511 PolarHBondContact O-N 3.19Å; G509-H511 PolarHBondContact O-ND1 2.88Å; H511-R513 PolarHBondContact O-N 3.44Å; H511-N521 PolarHBondContact CD2-ND2 3.49Å; H511-N521 PolarHBondContact CD2-OD1 2.85Å; H511-N521 PolarHBondContact NE2-ND2 3.34Å; H511-I522 CarbonylContact C-O 3.6Å; H511-I522 WeakPolarHBondContact CA-O 3.38Å
512	C	93.6	Very high	77.2	Confident	3 Å²	3	83.2 Å²	83.2	2%	0.02	44%	0.442	C	S	.	.			trans	-62.3	102.7	176.7	-172.8	0	0	0	0	111.5	R514 C515 R516 I522 W524 H527 C531	C512-R514 VanDerWaalsContact C-N 3.27Å; C512-R514 PolarHBondContact O-N 3.44Å; C512-C515 HydrophobicContact CB-CB 3.86Å; C512-C515 PolarHBondContact O-N 3.48Å; C512-C515 PolarHBondContact SG-SG 3.13Å; C512-R516 PolarHBondContact O-N 3.38Å; C512-I522 WeakPolarHBondContact CB-O 3.39Å; C512-I522 PolarHBondContact N-O 3.1Å; C512-W524 HydrophobicContact CB-CE3 4.42Å; C512-H527 VanDerWaalsContact CB-CD2 3.46Å; C512-H527 WeakPolarHBondContact CB-CD2 3.33Å; C512-H527 PolarHBondContact SG-CD2 2.98Å; C512-H527 PolarHBondContact SG-NE2 3.37Å; C512-C531 VanDerWaalsContact SG-SG 3.67Å
513	R	91.2	Very high	79.2	Confident	79 Å²	79	78.9 Å²	78.9	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-29.9	-177.8	-176.1	62.5	-144.2	-130.1	-0.1	113.1	H511 N517 I544	H511-R513 PolarHBondContact O-N 3.44Å; R513-N517 PolarHBondContact NE-OD1 3.34Å; R513-N517 PolarHBondContact NH2-OD1 3.47Å; R513-N517 VanDerWaalsContact O-CG 3.23Å; R513-N517 PolarHBondContact O-N 2.85Å; R513-N517 PolarHBondContact O-OD1 2.84Å; R513-I544 HydrophobicContact CB-CD1 4.23Å; R513-I544 HydrophobicContact CG-CD1 3.6Å; R513-I544 HydrophobicContact CG-CG1 4.23Å
514	R	93.4	Very high	81.1	Confident	26 Å²	26	76 Å²	76	10%	0.098	40%	0.399	C	S	.	.	H	α-helix	trans	-65.1	-56	171.5	-78.1	179	157.8	-97.8	-3.1	109.8	C512 R516 N517 H518 Y533 K534 C536 C541 I544 S545	C512-R514 VanDerWaalsContact C-N 3.27Å; C512-R514 PolarHBondContact O-N 3.44Å; R514-R516 VanDerWaalsContact C-N 3.31Å; R514-R516 PolarHBondContact O-N 2.85Å; R514-N517 WeakPolarHBondContact O-CB 3.39Å; R514-N517 PolarHBondContact O-N 3Å; R514-H518 PolarHBondContact O-CD2 3.36Å; R514-Y533 WeakPolarHBondContact CD-O 3.31Å; R514-Y533 PolarHBondContact NH1-O 3.03Å; R514-K534 PolarHBondContact NH1-O 2.87Å; R514-C536 PolarHBondContact NH1-O 3.06Å; R514-C536 PolarHBondContact NH2-O 3.09Å; R514-C541 PolarHBondContact NH2-O 3.12Å; R514-C541 VanDerWaalsContact NH2-O 3.15Å; R514-I544 HydrophobicContact CG-CD1 4.02Å; R514-I544 HydrophobicContact CG-CG2 4.42Å; R514-S545 PolarHBondContact NH2-OG 3.25Å
515	C	94.8	Very high	82.8	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-53.5	-42.5	175.4	-63.3	0	0	0	0	114	C512 N517 H518 G519 H520 H527 C531 Y533	C512-C515 HydrophobicContact CB-CB 3.86Å; C512-C515 PolarHBondContact O-N 3.48Å; C512-C515 PolarHBondContact SG-SG 3.13Å; C515-N517 PolarHBondContact O-N 3.12Å; C515-H518 CarbonylContact O-C 3.59Å; C515-H518 WeakPolarHBondContact O-CA 3.37Å; C515-H518 PolarHBondContact O-N 3.39Å; C515-G519 PolarHBondContact O-N 2.87Å; C515-H520 CarbonylContact C-O 3.27Å; C515-H520 HydrophobicContact CB-CB 3.96Å; C515-H520 WeakPolarHBondContact CB-O 3.39Å; C515-H520 PolarHBondContact O-N 3.14Å; C515-H527 PolarHBondContact SG-NE2 3.47Å; C515-C531 VanDerWaalsContact SG-SG 3.63Å; C515-Y533 VanDerWaalsContact CA-CD2 3.49Å; C515-Y533 HydrophobicContact CB-CD2 4.03Å; C515-Y533 HydrophobicContact CB-CE2 4.01Å; C515-Y533 WeakPolarHBondContact SG-CD2 3.48Å
516	R	93.2	Very high	84.7	Confident	134 Å²	134	76.3 Å²	76.3	51%	0.506	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-26.9	178.4	-178.8	165.1	55.7	155.4	-10.3	113.5	C512 R514 H518 G519 H520	C512-R516 PolarHBondContact O-N 3.38Å; R514-R516 VanDerWaalsContact C-N 3.31Å; R514-R516 PolarHBondContact O-N 2.85Å; R516-H518 PolarHBondContact O-N 2.84Å; R516-G519 PolarHBondContact O-N 3.28Å; R516-H520 PolarHBondContact N-O 2.99Å; R516-H520 VanDerWaalsContact N-O 3.15Å
517	N	91.2	Very high	86.6	Confident	33 Å²	33	68.1 Å²	68.1	18%	0.176	37%	0.371	C	S	.	.	H	α-helix	trans	-68.5	-25.9	172	-62.4	-19	0	0	0	112.4	R513 R514 C515 Q540 C541 I544	R513-N517 PolarHBondContact NE-OD1 3.34Å; R513-N517 PolarHBondContact NH2-OD1 3.47Å; R513-N517 VanDerWaalsContact O-CG 3.23Å; R513-N517 PolarHBondContact O-N 2.85Å; R513-N517 PolarHBondContact O-OD1 2.84Å; R514-N517 WeakPolarHBondContact O-CB 3.39Å; R514-N517 PolarHBondContact O-N 3Å; C515-N517 PolarHBondContact O-N 3.12Å; N517-Q540 HydrophobicContact CB-CB 4.03Å; N517-Q540 WeakPolarHBondContact ND2-CB 3.36Å; N517-Q540 PolarHBondContact ND2-O 3.38Å; N517-C541 PolarHBondContact ND2-SG 3.3Å; N517-C541 VanDerWaalsContact ND2-SG 3.41Å; N517-I544 WeakPolarHBondContact ND2-CD1 3.19Å
518	H	93.7	Very high	88.1	Confident	45 Å²	45	71.7 Å²	71.7	21%	0.208	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	16.4	176.6	-60.7	-87.4	0	0	0	112.4	R514 C515 R516 H520 Y533 C536 C538 C541	R514-H518 PolarHBondContact O-CD2 3.36Å; C515-H518 CarbonylContact O-C 3.59Å; C515-H518 WeakPolarHBondContact O-CA 3.37Å; C515-H518 PolarHBondContact O-N 3.39Å; R516-H518 PolarHBondContact O-N 2.84Å; H518-H520 VanDerWaalsContact C-N 3.31Å; H518-H520 PolarHBondContact O-CD2 3.48Å; H518-H520 VanDerWaalsContact O-CD2 3.25Å; H518-H520 PolarHBondContact O-N 3.38Å; H518-Y533 HydrophobicContact CB-CD1 4.37Å; H518-Y533 HydrophobicContact CB-CD2 4.41Å; H518-Y533 HydrophobicContact CB-CE1 3.81Å; H518-Y533 HydrophobicContact CB-CE2 3.84Å; H518-Y533 VanDerWaalsContact CB-CZ 3.5Å; H518-Y533 AromaticContact CD2-CD1 3.45Å; H518-Y533 VanDerWaalsContact CD2-CD1 3.45Å; H518-Y533 WeakPolarHBondContact CD2-CD1 3.28Å; H518-Y533 AromaticContact CD2-CD2 3.82Å; H518-Y533 AromaticContact CD2-CE1 3.8Å; H518-Y533 AromaticContact CD2-CG 3.46Å; H518-Y533 VanDerWaalsContact CD2-CG 3.46Å; H518-Y533 AromaticContact CG-CD1 3.73Å; H518-Y533 AromaticContact CG-CE1 3.58Å; H518-Y533 AromaticContact CG-CZ 3.79Å; H518-Y533 AromaticContact ND1-CE1 3.94Å; H518-Y533 AromaticContact NE2-CD1 3.7Å; H518-Y533 AromaticContact NE2-CG 3.91Å; H518-C536 PolarHBondContact CE1-SG 3.05Å; H518-C536 PolarHBondContact NE2-SG 3.3Å; H518-C536 VanDerWaalsContact NE2-SG 3.38Å; H518-C538 VanDerWaalsContact CE1-SG 3.57Å; H518-C541 PolarHBondContact NE2-SG 3.43Å; H518-C541 VanDerWaalsContact NE2-SG 3.43Å
519	G	91	Very high	89.4	Confident	69 Å²	69	71.2 Å²	71.2	71%	0.711	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-11.4	178.6	0	0	0	0	0	116.2	C515 R516	C515-G519 PolarHBondContact O-N 2.87Å; R516-G519 PolarHBondContact O-N 3.28Å
520	H	90.6	Very high	90.3	Very high	60 Å²	60	75.1 Å²	75.1	28%	0.278	39%	0.391	S	S	.	.			trans	-86.7	114	-178.5	-66.5	-95	0	0	0	111.8	C515 R516 H518 I522 Y533	C515-H520 CarbonylContact C-O 3.27Å; C515-H520 HydrophobicContact CB-CB 3.96Å; C515-H520 WeakPolarHBondContact CB-O 3.39Å; C515-H520 PolarHBondContact O-N 3.14Å; R516-H520 PolarHBondContact N-O 2.99Å; R516-H520 VanDerWaalsContact N-O 3.15Å; H518-H520 VanDerWaalsContact C-N 3.31Å; H518-H520 PolarHBondContact O-CD2 3.48Å; H518-H520 VanDerWaalsContact O-CD2 3.25Å; H518-H520 PolarHBondContact O-N 3.38Å; H520-I522 HydrophobicContact CB-CD1 4.31Å; H520-I522 HydrophobicContact CB-CG1 4.31Å; H520-I522 PolarHBondContact O-N 3.09Å; H520-Y533 PolarHBondContact CD2-OH 3.08Å; H520-Y533 PolarHBondContact NE2-OH 3.35Å
521	N	90.3	Very high	90.6	Very high	100 Å²	100	70.7 Å²	70.7	54%	0.535	36%	0.363	S	S	.	.			trans	-94	77.1	-179.9	-161.4	49.5	0	0	0	111.6	H511	H511-N521 PolarHBondContact CD2-ND2 3.49Å; H511-N521 PolarHBondContact CD2-OD1 2.85Å; H511-N521 PolarHBondContact NE2-ND2 3.34Å
522	I	87.7	Confident	90.8	Very high	65 Å²	65	72.8 Å²	72.8	33%	0.333	38%	0.381	S	S	.	.			trans	-101.4	139.1	-180	-50.9	173.5	0	0	0	109.5	H511 C512 H520 H527	H511-I522 CarbonylContact C-O 3.6Å; H511-I522 WeakPolarHBondContact CA-O 3.38Å; C512-I522 WeakPolarHBondContact CB-O 3.39Å; C512-I522 PolarHBondContact N-O 3.1Å; H520-I522 HydrophobicContact CB-CD1 4.31Å; H520-I522 HydrophobicContact CB-CG1 4.31Å; H520-I522 PolarHBondContact O-N 3.09Å; I522-H527 HydrophobicContact CG2-CB 4.49Å
523	S	90.7	Very high	90.9	Very high	28 Å²	28	73.1 Å²	73.1	20%	0.196	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-68.8	153.1	175.6	48.7	0	0	0	0	113.2	D507 H527	D507-S523 WeakPolarHBondContact OD1-CB 3.35Å; D507-S523 WeakPolarHBondContact OD2-CB 3.32Å; D507-S523 PolarHBondContact OD2-OG 3.26Å; S523-H527 WeakPolarHBondContact O-CB 3.43Å
524	W	85.8	Confident	90.9	Very high	87 Å²	87	74.1 Å²	74.1	33%	0.33	39%	0.388	S	S	.	.	S	Bend	trans	-77.6	-22.4	-171.9	-171.6	-80.6	0	0	0	113.4	P510 C512 G526 H527 K528	P510-W524 HydrophobicContact CG-CB 4.33Å; P510-W524 WeakPolarHBondContact O-CB 3.47Å; P510-W524 PolarHBondContact O-N 3.22Å; C512-W524 HydrophobicContact CB-CE3 4.42Å; W524-G526 PolarHBondContact O-N 3.35Å; W524-H527 PolarHBondContact O-N 3.43Å; W524-K528 HydrophobicContact CZ2-CB 4.23Å; W524-K528 HydrophobicContact CZ2-CD 4.48Å; W524-K528 HydrophobicContact CZ2-CG 4.04Å
525	K	85	Confident	90.9	Very high	187 Å²	187	78 Å²	78	81%	0.813	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	124.6	-174.2	-164.7	174.4	-179.1	-179.3	0	109.8	H527	K525-H527 PolarHBondContact O-N 3Å
526	G	86.1	Confident	90.9	Very high	67 Å²	67	79.6 Å²	79.6	69%	0.691	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	-43.1	-170.9	0	0	0	0	0	114.4	W524 K528	W524-G526 PolarHBondContact O-N 3.35Å; G526-K528 PolarHBondContact O-N 3.24Å
527	H	91.6	Very high	91	Very high	17 Å²	17	81.9 Å²	81.9	8%	0.079	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.5	-171.4	-173.7	76.8	0	0	0	116.4	C512 C515 I522 S523 W524 K525 K529 T530 C531	C512-H527 VanDerWaalsContact CB-CD2 3.46Å; C512-H527 WeakPolarHBondContact CB-CD2 3.33Å; C512-H527 PolarHBondContact SG-CD2 2.98Å; C512-H527 PolarHBondContact SG-NE2 3.37Å; C515-H527 PolarHBondContact SG-NE2 3.47Å; I522-H527 HydrophobicContact CG2-CB 4.49Å; S523-H527 WeakPolarHBondContact O-CB 3.43Å; W524-H527 PolarHBondContact O-N 3.43Å; K525-H527 PolarHBondContact O-N 3Å; H527-K529 PolarHBondContact O-N 3.32Å; H527-K529 VanDerWaalsContact O-N 3.13Å; H527-T530 CarbonylContact O-C 3.58Å; H527-T530 PolarHBondContact O-N 2.7Å; H527-C531 WeakPolarHBondContact NE2-CB 3.42Å; H527-C531 PolarHBondContact O-N 2.91Å
528	K	87.9	Confident	91.2	Very high	149 Å²	149	82.3 Å²	82.3	65%	0.648	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.5	178.9	-178	-175.5	173.1	-169.7	0	113.5	W524 G526	W524-K528 HydrophobicContact CZ2-CB 4.23Å; W524-K528 HydrophobicContact CZ2-CD 4.48Å; W524-K528 HydrophobicContact CZ2-CG 4.04Å; G526-K528 PolarHBondContact O-N 3.24Å
529	K	88.2	Confident	91.2	Very high	164 Å²	164	84.3 Å²	84.3	71%	0.713	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-33.7	178.7	-72	-169.3	177	-173	0	113	H527	H527-K529 PolarHBondContact O-N 3.32Å; H527-K529 VanDerWaalsContact O-N 3.13Å
530	T	92.8	Very high	91.3	Very high	108 Å²	108	81.4 Å²	81.4	66%	0.663	41%	0.414	S	S	*	.	S	Bend	trans	-98.5	20.6	-173.6	54.1	0	0	0	0	113.7	H527 P532	H527-T530 CarbonylContact O-C 3.58Å; H527-T530 PolarHBondContact O-N 2.7Å; T530-P532 WeakPolarHBondContact O-CD 3.43Å
531	C	94.2	Very high	91.5	Very high	13 Å²	13	78.6 Å²	78.6	9%	0.088	40%	0.4	C	S	.	.			trans	-74.9	118.1	177.2	179.7	0	0	0	0	110.2	C512 C515 H527 Y533 K534	C512-C531 VanDerWaalsContact SG-SG 3.67Å; C515-C531 VanDerWaalsContact SG-SG 3.63Å; H527-C531 WeakPolarHBondContact NE2-CB 3.42Å; H527-C531 PolarHBondContact O-N 2.91Å; C531-Y533 PolarHBondContact O-N 2.86Å; C531-Y533 VanDerWaalsContact O-N 3.15Å; C531-K534 HydrophobicContact CB-CB 4.31Å; C531-K534 WeakPolarHBondContact O-CB 3.5Å; C531-K534 PolarHBondContact O-N 2.97Å
532	P	93.8	Very high	91.8	Very high	95 Å²	95	76.5 Å²	76.5	62%	0.617	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.1	178.9	26.1	-34	0	0	0	112.1	T530	T530-P532 WeakPolarHBondContact O-CD 3.43Å
533	Y	95.6	Very high	92.1	Very high	10 Å²	10	73.9 Å²	73.9	4%	0.039	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.5	175	-44.1	-66.9	0	0	0	113.5	R514 C515 H518 H520 C531 E535 C536 I1206	R514-Y533 WeakPolarHBondContact CD-O 3.31Å; R514-Y533 PolarHBondContact NH1-O 3.03Å; C515-Y533 VanDerWaalsContact CA-CD2 3.49Å; C515-Y533 HydrophobicContact CB-CD2 4.03Å; C515-Y533 HydrophobicContact CB-CE2 4.01Å; C515-Y533 WeakPolarHBondContact SG-CD2 3.48Å; H518-Y533 HydrophobicContact CB-CD1 4.37Å; H518-Y533 HydrophobicContact CB-CD2 4.41Å; H518-Y533 HydrophobicContact CB-CE1 3.81Å; H518-Y533 HydrophobicContact CB-CE2 3.84Å; H518-Y533 VanDerWaalsContact CB-CZ 3.5Å; H518-Y533 AromaticContact CD2-CD1 3.45Å; H518-Y533 VanDerWaalsContact CD2-CD1 3.45Å; H518-Y533 WeakPolarHBondContact CD2-CD1 3.28Å; H518-Y533 AromaticContact CD2-CD2 3.82Å; H518-Y533 AromaticContact CD2-CE1 3.8Å; H518-Y533 AromaticContact CD2-CG 3.46Å; H518-Y533 VanDerWaalsContact CD2-CG 3.46Å; H518-Y533 AromaticContact CG-CD1 3.73Å; H518-Y533 AromaticContact CG-CE1 3.58Å; H518-Y533 AromaticContact CG-CZ 3.79Å; H518-Y533 AromaticContact ND1-CE1 3.94Å; H518-Y533 AromaticContact NE2-CD1 3.7Å; H518-Y533 AromaticContact NE2-CG 3.91Å; H520-Y533 PolarHBondContact CD2-OH 3.08Å; H520-Y533 PolarHBondContact NE2-OH 3.35Å; C531-Y533 PolarHBondContact O-N 2.86Å; C531-Y533 VanDerWaalsContact O-N 3.15Å; Y533-E535 VanDerWaalsContact C-N 3.3Å; Y533-E535 PolarHBondContact O-N 2.9Å; Y533-C536 HydrophobicContact CD1-CB 4.34Å; Y533-C536 WeakPolarHBondContact O-CB 3.45Å; Y533-C536 PolarHBondContact O-N 3.13Å; Y533-C536 VanDerWaalsContact O-N 3.08Å; Y533-I1206 HydrophobicContact CE1-CD1 3.7Å; Y533-I1206 HydrophobicContact CE1-CG1 3.95Å; Y533-I1206 HydrophobicContact CE1-CG2 4.06Å; Y533-I1206 WeakPolarHBondContact OH-CG2 3.08Å
534	K	92.4	Very high	92.2	Very high	100 Å²	100	73.2 Å²	73.2	44%	0.435	37%	0.369	S	S	.	.	S	Bend	trans	-51.6	-49.6	179.9	177.5	176	141.5	-78.9	0	111.4	R514 C531	R514-K534 PolarHBondContact NH1-O 2.87Å; C531-K534 HydrophobicContact CB-CB 4.31Å; C531-K534 WeakPolarHBondContact O-CB 3.5Å; C531-K534 PolarHBondContact O-N 2.97Å
535	E	92.8	Very high	92.6	Very high	107 Å²	107	71.7 Å²	71.7	50%	0.5	37%	0.372	S	S	.	.	S	Bend	trans	-86.9	-4.7	175.5	-87.5	66.5	-118	0	0	115	Y533 Y537	Y533-E535 VanDerWaalsContact C-N 3.3Å; Y533-E535 PolarHBondContact O-N 2.9Å; E535-Y537 VanDerWaalsContact O-CD2 3.24Å; E535-Y537 WeakPolarHBondContact O-CD2 3.5Å; E535-Y537 WeakPolarHBondContact O-CE2 3.44Å; E535-Y537 PolarHBondContact O-N 2.89Å
536	C	95.4	Very high	93.1	Very high	33 Å²	33	65.8 Å²	65.8	22%	0.223	35%	0.349	C	S	.	.			trans	-57.4	133.2	-169.6	-175.6	0	0	0	0	114.3	R514 H518 Y533 C541	R514-C536 PolarHBondContact NH1-O 3.06Å; R514-C536 PolarHBondContact NH2-O 3.09Å; H518-C536 PolarHBondContact CE1-SG 3.05Å; H518-C536 PolarHBondContact NE2-SG 3.3Å; H518-C536 VanDerWaalsContact NE2-SG 3.38Å; Y533-C536 HydrophobicContact CD1-CB 4.34Å; Y533-C536 WeakPolarHBondContact O-CB 3.45Å; Y533-C536 PolarHBondContact O-N 3.13Å; Y533-C536 VanDerWaalsContact O-N 3.08Å; C536-C541 HydrophobicContact CB-CB 4.46Å; C536-C541 WeakPolarHBondContact O-CB 3.33Å
537	Y	95.2	Very high	93.5	Very high	182 Å²	182	67.8 Å²	67.8	71%	0.714	34%	0.336	S	S	*	.			trans	-101.4	13.4	-174.3	-57.8	-81.4	0	0	0	114.9	E535 I542	E535-Y537 VanDerWaalsContact O-CD2 3.24Å; E535-Y537 WeakPolarHBondContact O-CD2 3.5Å; E535-Y537 WeakPolarHBondContact O-CE2 3.44Å; E535-Y537 PolarHBondContact O-N 2.89Å; Y537-I542 WeakPolarHBondContact O-CD1 3Å; Y537-I542 WeakPolarHBondContact O-CG1 3.44Å
538	C	95	Very high	93.7	Very high	43 Å²	43	72.3 Å²	72.3	29%	0.291	36%	0.355	S	S	.	.	S	Bend	trans	-67.7	151.4	172.9	78.1	0	0	0	0	111.2	H518 Q540 C541 I542	H518-C538 VanDerWaalsContact CE1-SG 3.57Å; C538-Q540 VanDerWaalsContact C-N 3.27Å; C538-Q540 PolarHBondContact O-N 3.34Å; C538-Q540 VanDerWaalsContact O-N 3.12Å; C538-C541 CarbonylContact O-C 3.57Å; C538-C541 WeakPolarHBondContact O-CA 3.45Å; C538-C541 WeakPolarHBondContact O-CB 3.19Å; C538-C541 PolarHBondContact O-N 2.99Å; C538-C541 VanDerWaalsContact SG-SG 3.63Å; C538-I542 PolarHBondContact O-N 2.98Å
539	D	93.8	Very high	94	Very high	87 Å²	87	67.5 Å²	67.5	47%	0.465	34%	0.34	S	S	.	.	H	α-helix	trans	-50.2	-44.8	-174.2	-36.3	-29.2	0	0	0	113.1	L473 C541 I542 L543	L473-D539 HydrophobicContact CD1-CB 3.53Å; D539-C541 PolarHBondContact O-N 3.2Å; D539-I542 PolarHBondContact O-N 3.47Å; D539-L543 WeakPolarHBondContact O-CB 3.2Å; D539-L543 WeakPolarHBondContact O-CG 3.47Å; D539-L543 PolarHBondContact O-N 3.25Å
540	Q	93.2	Very high	94.5	Very high	8 Å²	8	60 Å²	60	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-26.1	178.4	-74.7	-77.8	0.7	0	0	113.1	L473 Q477 N517 C538 I544	L473-Q540 HydrophobicContact CD1-CG 4.42Å; Q477-Q540 VanDerWaalsContact OE1-NE2 3.17Å; N517-Q540 HydrophobicContact CB-CB 4.03Å; N517-Q540 WeakPolarHBondContact ND2-CB 3.36Å; N517-Q540 PolarHBondContact ND2-O 3.38Å; C538-Q540 VanDerWaalsContact C-N 3.27Å; C538-Q540 PolarHBondContact O-N 3.34Å; C538-Q540 VanDerWaalsContact O-N 3.12Å; Q540-I544 VanDerWaalsContact O-CD1 3.3Å; Q540-I544 WeakPolarHBondContact O-CD1 3.41Å; Q540-I544 WeakPolarHBondContact O-CG1 3.45Å
541	C	95	Very high	94.6	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-91.4	-36.1	176	-77.1	0	0	0	0	112.3	R514 N517 H518 C536 C538 D539 I544 S545	R514-C541 PolarHBondContact NH2-O 3.12Å; R514-C541 VanDerWaalsContact NH2-O 3.15Å; N517-C541 PolarHBondContact ND2-SG 3.3Å; N517-C541 VanDerWaalsContact ND2-SG 3.41Å; H518-C541 PolarHBondContact NE2-SG 3.43Å; H518-C541 VanDerWaalsContact NE2-SG 3.43Å; C536-C541 HydrophobicContact CB-CB 4.46Å; C536-C541 WeakPolarHBondContact O-CB 3.33Å; C538-C541 CarbonylContact O-C 3.57Å; C538-C541 WeakPolarHBondContact O-CA 3.45Å; C538-C541 WeakPolarHBondContact O-CB 3.19Å; C538-C541 PolarHBondContact O-N 2.99Å; C538-C541 VanDerWaalsContact SG-SG 3.63Å; D539-C541 PolarHBondContact O-N 3.2Å; C541-I544 WeakPolarHBondContact O-CB 3.1Å; C541-I544 PolarHBondContact O-N 3.2Å; C541-I544 VanDerWaalsContact O-N 3.13Å; C541-S545 PolarHBondContact O-N 3.06Å; C541-S545 VanDerWaalsContact O-N 3.15Å
542	I	95.2	Very high	94.6	Very high	57 Å²	57	61.5 Å²	61.5	29%	0.292	31%	0.305	S	S	.	.	H	α-helix	trans	-58	-48.5	169.2	-70.1	178	0	0	0	110.2	Y537 C538 D539 I544 S545 L546	Y537-I542 WeakPolarHBondContact O-CD1 3Å; Y537-I542 WeakPolarHBondContact O-CG1 3.44Å; C538-I542 PolarHBondContact O-N 2.98Å; D539-I542 PolarHBondContact O-N 3.47Å; I542-I544 PolarHBondContact O-N 3.13Å; I542-I544 VanDerWaalsContact O-N 3.16Å; I542-S545 CarbonylContact O-C 3.05Å; I542-S545 WeakPolarHBondContact O-CA 3.29Å; I542-S545 WeakPolarHBondContact O-CB 3.17Å; I542-S545 PolarHBondContact O-N 3.17Å; I542-L546 HydrophobicContact CG2-CD1 3.8Å; I542-L546 HydrophobicContact CG2-CG 4.14Å; I542-L546 PolarHBondContact O-N 3.27Å
543	L	94.3	Very high	94.8	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-24.6	176.9	-68.9	176	0	0	0	113.2	I466 Q469 Q470 L473 D539 L546 R547	I466-L543 HydrophobicContact CG2-CD2 4.23Å; Q469-L543 HydrophobicContact CB-CD1 3.99Å; Q469-L543 HydrophobicContact CB-CD2 3.85Å; Q470-L543 HydrophobicContact CB-CD1 4.05Å; L473-L543 HydrophobicContact CD1-CD1 3.6Å; L473-L543 HydrophobicContact CG-CD1 4.45Å; D539-L543 WeakPolarHBondContact O-CB 3.2Å; D539-L543 WeakPolarHBondContact O-CG 3.47Å; D539-L543 PolarHBondContact O-N 3.25Å; L543-L546 HydrophobicContact CD2-CD1 4.35Å; L543-R547 WeakPolarHBondContact O-CB 2.99Å; L543-R547 PolarHBondContact O-N 3.15Å
544	I	93.9	Very high	94.7	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-73.9	-35.7	171.3	-67.8	164.2	0	0	0	111.3	R513 R514 N517 Q540 C541 I542 K548	R513-I544 HydrophobicContact CB-CD1 4.23Å; R513-I544 HydrophobicContact CG-CD1 3.6Å; R513-I544 HydrophobicContact CG-CG1 4.23Å; R514-I544 HydrophobicContact CG-CD1 4.02Å; R514-I544 HydrophobicContact CG-CG2 4.42Å; N517-I544 WeakPolarHBondContact ND2-CD1 3.19Å; Q540-I544 VanDerWaalsContact O-CD1 3.3Å; Q540-I544 WeakPolarHBondContact O-CD1 3.41Å; Q540-I544 WeakPolarHBondContact O-CG1 3.45Å; C541-I544 WeakPolarHBondContact O-CB 3.1Å; C541-I544 PolarHBondContact O-N 3.2Å; C541-I544 VanDerWaalsContact O-N 3.13Å; I542-I544 PolarHBondContact O-N 3.13Å; I542-I544 VanDerWaalsContact O-N 3.16Å; I544-K548 HydrophobicContact CG2-CD 4.25Å; I544-K548 WeakPolarHBondContact O-CB 3.32Å; I544-K548 WeakPolarHBondContact O-CD 3.42Å; I544-K548 VanDerWaalsContact O-CG 3.24Å; I544-K548 WeakPolarHBondContact O-CG 3.26Å; I544-K548 PolarHBondContact O-N 2.88Å
545	S	94.3	Very high	94.7	Very high	55 Å²	55	61.6 Å²	61.6	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-67.6	-52	172.9	-66.2	0	0	0	0	110.9	R514 C541 I542 R547 K548 S549	R514-S545 PolarHBondContact NH2-OG 3.25Å; C541-S545 PolarHBondContact O-N 3.06Å; C541-S545 VanDerWaalsContact O-N 3.15Å; I542-S545 CarbonylContact O-C 3.05Å; I542-S545 WeakPolarHBondContact O-CA 3.29Å; I542-S545 WeakPolarHBondContact O-CB 3.17Å; I542-S545 PolarHBondContact O-N 3.17Å; S545-R547 VanDerWaalsContact C-N 3.3Å; S545-R547 PolarHBondContact O-N 3.18Å; S545-K548 CarbonylContact O-C 2.86Å; S545-K548 WeakPolarHBondContact O-CA 3.19Å; S545-K548 WeakPolarHBondContact O-CB 3.42Å; S545-K548 PolarHBondContact O-N 2.68Å; S545-S549 PolarHBondContact O-N 3.2Å; S545-S549 PolarHBondContact O-OG 2.92Å
546	L	95.5	Very high	94.8	Very high	64 Å²	64	60.6 Å²	60.6	34%	0.335	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-39.7	179.1	-66.7	175.2	0	0	0	112.4	I466 I542 L543 K548 S549 N550	I466-L546 HydrophobicContact CD1-CB 3.95Å; I466-L546 HydrophobicContact CG1-CB 4.19Å; I466-L546 HydrophobicContact CG2-CB 4.32Å; I542-L546 HydrophobicContact CG2-CD1 3.8Å; I542-L546 HydrophobicContact CG2-CG 4.14Å; I542-L546 PolarHBondContact O-N 3.27Å; L543-L546 HydrophobicContact CD2-CD1 4.35Å; L546-K548 PolarHBondContact O-N 2.85Å; L546-S549 PolarHBondContact O-OG 2.83Å; L546-S549 VanDerWaalsContact O-OG 3.11Å; L546-N550 VanDerWaalsContact O-CB 3.25Å; L546-N550 WeakPolarHBondContact O-CB 3.3Å; L546-N550 PolarHBondContact O-N 2.95Å
547	R	94.5	Very high	94.6	Very high	109 Å²	109	60.6 Å²	60.6	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-69.5	-17.3	175.1	-160.6	-170	-160.8	-58.2	-3.2	113.3	I466 L543 S545 E551	I466-R547 HydrophobicContact CG2-CB 3.83Å; I466-R547 HydrophobicContact CG2-CG 4.3Å; L543-R547 WeakPolarHBondContact O-CB 2.99Å; L543-R547 PolarHBondContact O-N 3.15Å; S545-R547 VanDerWaalsContact C-N 3.3Å; S545-R547 PolarHBondContact O-N 3.18Å; R547-E551 VanDerWaalsContact O-CB 3.25Å; R547-E551 WeakPolarHBondContact O-CB 3.3Å
548	K	94	Very high	94.4	Very high	111 Å²	111	54.1 Å²	54.1	48%	0.483	27%	0.267	S	S	.	.	H	α-helix	trans	-93.7	-37.7	176.9	-79.4	174.6	176.3	-176.6	0	112.7	I544 S545 L546 K552	I544-K548 HydrophobicContact CG2-CD 4.25Å; I544-K548 WeakPolarHBondContact O-CB 3.32Å; I544-K548 WeakPolarHBondContact O-CD 3.42Å; I544-K548 VanDerWaalsContact O-CG 3.24Å; I544-K548 WeakPolarHBondContact O-CG 3.26Å; I544-K548 PolarHBondContact O-N 2.88Å; S545-K548 CarbonylContact O-C 2.86Å; S545-K548 WeakPolarHBondContact O-CA 3.19Å; S545-K548 WeakPolarHBondContact O-CB 3.42Å; S545-K548 PolarHBondContact O-N 2.68Å; L546-K548 PolarHBondContact O-N 2.85Å; K548-K552 WeakPolarHBondContact O-CB 3.39Å; K548-K552 PolarHBondContact O-N 2.81Å; K548-K552 VanDerWaalsContact O-N 3.13Å
549	S	96.1	Very high	94.1	Very high	48 Å²	48	56.7 Å²	56.7	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-57.9	169	49.3	0	0	0	0	109.2	S545 L546 E551 K552 D553	S545-S549 PolarHBondContact O-N 3.2Å; S545-S549 PolarHBondContact O-OG 2.92Å; L546-S549 PolarHBondContact O-OG 2.83Å; L546-S549 VanDerWaalsContact O-OG 3.11Å; S549-E551 PolarHBondContact O-N 3.37Å; S549-K552 CarbonylContact O-C 3.57Å; S549-K552 VanDerWaalsContact O-CA 3.3Å; S549-K552 WeakPolarHBondContact O-CA 3.29Å; S549-K552 VanDerWaalsContact O-CB 3.3Å; S549-K552 WeakPolarHBondContact O-CB 3.39Å; S549-K552 PolarHBondContact O-N 2.83Å; S549-D553 PolarHBondContact O-N 3.41Å; S549-D553 VanDerWaalsContact O-OD2 3.08Å
550	N	97.1	Very high	93.9	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-54.8	-31.4	-178.9	173.7	-109.6	0	0	0	114.6	L459 G463 I466 L546 D553 L554	L459-N550 PolarHBondContact O-ND2 3.42Å; G463-N550 WeakPolarHBondContact CA-OD1 3.28Å; G463-N550 PolarHBondContact N-OD1 2.78Å; I466-N550 HydrophobicContact CD1-CB 3.88Å; L546-N550 VanDerWaalsContact O-CB 3.25Å; L546-N550 WeakPolarHBondContact O-CB 3.3Å; L546-N550 PolarHBondContact O-N 2.95Å; N550-D553 VanDerWaalsContact CA-OD2 3.29Å; N550-D553 WeakPolarHBondContact CA-OD2 3.26Å; N550-D553 PolarHBondContact N-OD2 3.49Å; N550-L554 WeakPolarHBondContact O-CB 3.47Å; N550-L554 PolarHBondContact O-N 2.99Å; N550-L554 VanDerWaalsContact O-N 3.1Å
551	E	94.9	Very high	93.5	Very high	43 Å²	43	61.3 Å²	61.3	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-85.3	-12.1	175.8	-177	59.7	-142.6	0	0	113.9	R429 R547 S549 R555	R429-E551 IonicContact CZ-OE2 2.78Å; R429-E551 VanDerWaalsContact CZ-OE2 3.29Å; R429-E551 IonicContact NH1-OE2 2.56Å; R429-E551 PolarHBondContact NH1-OE2 2.91Å; R429-E551 IonicContact NH2-OE1 2.66Å; R429-E551 PolarHBondContact NH2-OE1 3.09Å; R429-E551 VanDerWaalsContact NH2-OE1 3.11Å; R429-E551 IonicContact NH2-OE2 3.96Å; R429-E551 PolarHBondContact NH2-OE2 3.44Å; R547-E551 VanDerWaalsContact O-CB 3.25Å; R547-E551 WeakPolarHBondContact O-CB 3.3Å; S549-E551 PolarHBondContact O-N 3.37Å; E551-R555 WeakPolarHBondContact O-CD 3.45Å; E551-R555 VanDerWaalsContact O-CG 3.26Å; E551-R555 WeakPolarHBondContact O-CG 3.35Å; E551-R555 PolarHBondContact O-NE 2.8Å; E551-R555 IonicContact OE1-CZ 2.86Å; E551-R555 IonicContact OE1-NE 2.74Å; E551-R555 PolarHBondContact OE1-NE 3.26Å; E551-R555 IonicContact OE1-NH2 2.66Å; E551-R555 PolarHBondContact OE1-NH2 3.47Å
552	K	95.8	Very high	93.1	Very high	109 Å²	109	65.8 Å²	65.8	47%	0.474	32%	0.315	S	S	.	.	H	α-helix	trans	-83.2	-55.5	163.1	169.3	-171.8	172.7	-68.8	0	109.9	K548 S549 L554 R555 E556	K548-K552 WeakPolarHBondContact O-CB 3.39Å; K548-K552 PolarHBondContact O-N 2.81Å; K548-K552 VanDerWaalsContact O-N 3.13Å; S549-K552 CarbonylContact O-C 3.57Å; S549-K552 VanDerWaalsContact O-CA 3.3Å; S549-K552 WeakPolarHBondContact O-CA 3.29Å; S549-K552 VanDerWaalsContact O-CB 3.3Å; S549-K552 WeakPolarHBondContact O-CB 3.39Å; S549-K552 PolarHBondContact O-N 2.83Å; K552-L554 VanDerWaalsContact C-N 3.25Å; K552-L554 PolarHBondContact O-N 3.13Å; K552-R555 WeakPolarHBondContact O-CA 3.42Å; K552-R555 VanDerWaalsContact O-CB 3.31Å; K552-R555 WeakPolarHBondContact O-CB 3.47Å; K552-R555 PolarHBondContact O-N 2.77Å; K552-E556 WeakPolarHBondContact CE-OE1 3.41Å; K552-E556 IonicContact NZ-OE1 2.73Å; K552-E556 PolarHBondContact NZ-OE1 3.43Å; K552-E556 IonicContact NZ-OE2 3.76Å; K552-E556 PolarHBondContact NZ-OE2 3.33Å; K552-E556 PolarHBondContact O-N 3.47Å
553	D	96.3	Very high	92.7	Very high	46 Å²	46	68.2 Å²	68.2	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-53.5	-45.4	-178.3	-39.4	-27.8	0	0	0	110.2	L459 S549 N550 R555 E556 V557	L459-D553 HydrophobicContact CD1-CB 4.13Å; L459-D553 HydrophobicContact CD2-CB 4.04Å; S549-D553 PolarHBondContact O-N 3.41Å; S549-D553 VanDerWaalsContact O-OD2 3.08Å; N550-D553 VanDerWaalsContact CA-OD2 3.29Å; N550-D553 WeakPolarHBondContact CA-OD2 3.26Å; N550-D553 PolarHBondContact N-OD2 3.49Å; D553-R555 PolarHBondContact O-N 3.3Å; D553-E556 PolarHBondContact O-N 2.96Å; D553-V557 WeakPolarHBondContact O-CG2 3.36Å; D553-V557 PolarHBondContact O-N 3.45Å
554	L	93.7	Very high	92.1	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-68.1	-15.6	177.5	-176.9	54.1	0	0	0	114	M456 L459 V460 N550 K552 T558	M456-L554 HydrophobicContact CE-CD1 3.82Å; M456-L554 HydrophobicContact SD-CD1 3.63Å; L459-L554 HydrophobicContact CB-CB 4.14Å; L459-L554 HydrophobicContact CB-CD1 3.92Å; L459-L554 HydrophobicContact CB-CG 4.43Å; L459-L554 HydrophobicContact CD1-CB 4.37Å; V460-L554 HydrophobicContact CG2-CD1 4.12Å; V460-L554 HydrophobicContact CG2-CD2 3.86Å; N550-L554 WeakPolarHBondContact O-CB 3.47Å; N550-L554 PolarHBondContact O-N 2.99Å; N550-L554 VanDerWaalsContact O-N 3.1Å; K552-L554 VanDerWaalsContact C-N 3.25Å; K552-L554 PolarHBondContact O-N 3.13Å; L554-T558 WeakPolarHBondContact O-CB 3.21Å; L554-T558 PolarHBondContact O-N 2.98Å; L554-T558 PolarHBondContact O-OG1 3.49Å
555	R	93	Very high	91	Very high	158 Å²	158	76.9 Å²	76.9	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-85.4	-40.6	169.9	-66.8	165.5	-167	-115.9	-14.8	111.2	E551 K552 D553 T558 Q559	E551-R555 WeakPolarHBondContact O-CD 3.45Å; E551-R555 VanDerWaalsContact O-CG 3.26Å; E551-R555 WeakPolarHBondContact O-CG 3.35Å; E551-R555 PolarHBondContact O-NE 2.8Å; E551-R555 IonicContact OE1-CZ 2.86Å; E551-R555 IonicContact OE1-NE 2.74Å; E551-R555 PolarHBondContact OE1-NE 3.26Å; E551-R555 IonicContact OE1-NH2 2.66Å; E551-R555 PolarHBondContact OE1-NH2 3.47Å; K552-R555 WeakPolarHBondContact O-CA 3.42Å; K552-R555 VanDerWaalsContact O-CB 3.31Å; K552-R555 WeakPolarHBondContact O-CB 3.47Å; K552-R555 PolarHBondContact O-N 2.77Å; D553-R555 PolarHBondContact O-N 3.3Å; R555-T558 WeakPolarHBondContact O-CB 3.31Å; R555-T558 PolarHBondContact O-N 3.35Å; R555-Q559 WeakPolarHBondContact O-CB 3.39Å; R555-Q559 PolarHBondContact O-N 3.01Å
556	E	94.4	Very high	89.5	Confident	86 Å²	86	79.1 Å²	79.1	40%	0.402	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-48.7	178.9	-70.9	164.6	163.1	0	0	109.7	K552 D553 T558 Q559 E560	K552-E556 WeakPolarHBondContact CE-OE1 3.41Å; K552-E556 IonicContact NZ-OE1 2.73Å; K552-E556 PolarHBondContact NZ-OE1 3.43Å; K552-E556 IonicContact NZ-OE2 3.76Å; K552-E556 PolarHBondContact NZ-OE2 3.33Å; K552-E556 PolarHBondContact O-N 3.47Å; D553-E556 PolarHBondContact O-N 2.96Å; E556-T558 VanDerWaalsContact C-N 3.33Å; E556-T558 PolarHBondContact O-N 2.95Å; E556-Q559 PolarHBondContact O-N 3.37Å; E556-E560 PolarHBondContact O-N 2.8Å
557	V	92.4	Very high	87.4	Confident	33 Å²	33	84.2 Å²	84.2	20%	0.2	42%	0.415	C	S	.	.	H	α-helix	trans	-65.2	-31.9	173	-177.8	0	0	0	0	112.6	D455 M456 L459 D553 Q559 F561	D455-V557 HydrophobicContact CB-CG1 3.83Å; M456-V557 HydrophobicContact CG-CG1 3.8Å; M456-V557 HydrophobicContact SD-CB 4.15Å; M456-V557 HydrophobicContact SD-CG1 3.84Å; L459-V557 HydrophobicContact CD1-CB 4.2Å; L459-V557 HydrophobicContact CD1-CG2 3.75Å; D553-V557 WeakPolarHBondContact O-CG2 3.36Å; D553-V557 PolarHBondContact O-N 3.45Å; V557-Q559 VanDerWaalsContact C-N 3.31Å; V557-Q559 PolarHBondContact O-N 3.46Å; V557-F561 VanDerWaalsContact O-CB 3.31Å; V557-F561 WeakPolarHBondContact O-CB 3.41Å; V557-F561 PolarHBondContact O-N 3.39Å
558	T	89.9	Confident	85	Confident	47 Å²	47	86.4 Å²	86.4	29%	0.288	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-39.2	171.6	-62.4	0	0	0	0	111	M456 L554 R555 E556 I562	M456-T558 WeakPolarHBondContact CE-OG1 3.48Å; M456-T558 PolarHBondContact SD-OG1 2.93Å; L554-T558 WeakPolarHBondContact O-CB 3.21Å; L554-T558 PolarHBondContact O-N 2.98Å; L554-T558 PolarHBondContact O-OG1 3.49Å; R555-T558 WeakPolarHBondContact O-CB 3.31Å; R555-T558 PolarHBondContact O-N 3.35Å; E556-T558 VanDerWaalsContact C-N 3.33Å; E556-T558 PolarHBondContact O-N 2.95Å; T558-I562 HydrophobicContact CG2-CD1 4.03Å; T558-I562 WeakPolarHBondContact O-CD1 3.44Å; T558-I562 VanDerWaalsContact O-CG1 3.31Å; T558-I562 WeakPolarHBondContact O-CG1 3.45Å; T558-I562 PolarHBondContact O-N 3.49Å
559	Q	88.7	Confident	82.2	Confident	97 Å²	97	84.4 Å²	84.4	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-74.9	-47.1	-177.6	-167.8	62.5	55.6	0	0	110.6	R555 E556 V557 F561 I562 D563	R555-Q559 WeakPolarHBondContact O-CB 3.39Å; R555-Q559 PolarHBondContact O-N 3.01Å; E556-Q559 PolarHBondContact O-N 3.37Å; V557-Q559 VanDerWaalsContact C-N 3.31Å; V557-Q559 PolarHBondContact O-N 3.46Å; Q559-F561 PolarHBondContact O-N 2.93Å; Q559-I562 WeakPolarHBondContact O-CA 3.5Å; Q559-I562 WeakPolarHBondContact O-CB 3.47Å; Q559-I562 PolarHBondContact O-N 3.17Å; Q559-D563 PolarHBondContact NE2-OD1 2.98Å; Q559-D563 WeakPolarHBondContact O-CB 3.36Å; Q559-D563 PolarHBondContact O-N 2.92Å
560	E	89.5	Confident	79.6	Confident	91 Å²	91	89.2 Å²	89.2	43%	0.425	46%	0.463	S	S	.	.	H	α-helix	trans	-55.4	-38.3	172.5	-72	178.7	136.4	0	0	111.1	K208 E556 S564	K208-E560 IonicContact NZ-OE1 3.76Å; K208-E560 PolarHBondContact NZ-OE1 3.41Å; E556-E560 PolarHBondContact O-N 2.8Å; E560-S564 WeakPolarHBondContact O-CB 3.47Å; E560-S564 PolarHBondContact O-N 3.46Å; E560-S564 PolarHBondContact O-OG 3.34Å
561	F	85.4	Confident	76.8	Confident	100 Å²	100	97.1 Å²	97.1	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-69.3	-28.6	174.2	-176.1	-93.4	0	0	0	114.3	V557 Q559 Q565	V557-F561 VanDerWaalsContact O-CB 3.31Å; V557-F561 WeakPolarHBondContact O-CB 3.41Å; V557-F561 PolarHBondContact O-N 3.39Å; Q559-F561 PolarHBondContact O-N 2.93Å; F561-Q565 WeakPolarHBondContact O-CG 3.01Å
562	I	85.9	Confident	74.2	Confident	94 Å²	94	103 Å²	103	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-75.7	-46.7	173.7	-71.6	164	0	0	0	109.8	T558 Q559 S564 Q565	T558-I562 HydrophobicContact CG2-CD1 4.03Å; T558-I562 WeakPolarHBondContact O-CD1 3.44Å; T558-I562 VanDerWaalsContact O-CG1 3.31Å; T558-I562 WeakPolarHBondContact O-CG1 3.45Å; T558-I562 PolarHBondContact O-N 3.49Å; Q559-I562 WeakPolarHBondContact O-CA 3.5Å; Q559-I562 WeakPolarHBondContact O-CB 3.47Å; Q559-I562 PolarHBondContact O-N 3.17Å; I562-S564 VanDerWaalsContact C-N 3.26Å; I562-S564 PolarHBondContact O-N 2.91Å; I562-Q565 PolarHBondContact O-N 3.16Å
563	D	88.4	Confident	71.3	Confident	109 Å²	109	104.1 Å²	104.1	58%	0.583	54%	0.538	S	S	*	.	H	α-helix	trans	-70.5	-22.6	-176.4	-58.7	-13.8	0	0	0	112.4	Q559	Q559-D563 PolarHBondContact NE2-OD1 2.98Å; Q559-D563 WeakPolarHBondContact O-CB 3.36Å; Q559-D563 PolarHBondContact O-N 2.92Å
564	S	81.6	Confident	68.6	Low	94 Å²	94	106 Å²	106	66%	0.657	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-3.4	176	-54	0	0	0	0	114.3	E560 I562	E560-S564 WeakPolarHBondContact O-CB 3.47Å; E560-S564 PolarHBondContact O-N 3.46Å; E560-S564 PolarHBondContact O-OG 3.34Å; I562-S564 VanDerWaalsContact C-N 3.26Å; I562-S564 PolarHBondContact O-N 2.91Å
565	Q	69.7	Low	66	Low	110 Å²	110	111 Å²	111	51%	0.514	59%	0.586	S	S	.	*	S	Bend	trans	-72.3	127.7	168.1	-65.7	-70.8	-42.2	0	0	108	F561 I562 E567	F561-Q565 WeakPolarHBondContact O-CG 3.01Å; I562-Q565 PolarHBondContact O-N 3.16Å; Q565-E567 PolarHBondContact O-N 3.02Å
566	P	62.3	Low	63.4	Low	102 Å²	102	108.1 Å²	108.1	66%	0.662	58%	0.577	S	S	*	*			trans	-60.9	133.4	178.2	25	-33.4	0	0	0	110.4	N568	P566-N568 VanDerWaalsContact C-N 3.35Å; P566-N568 PolarHBondContact O-N 3.02Å
567	E	51.7	Low	60.5	Low	171 Å²	171	111 Å²	111	80%	0.799	60%	0.596	S	S	*	*			trans	-62.7	93.7	173.6	-74.6	-162.6	154.7	0	0	110.1	Q565 G569	Q565-E567 PolarHBondContact O-N 3.02Å; E567-G569 PolarHBondContact O-N 2.95Å
568	N	45.3	Very low	57.9	Low	155 Å²	155	115.1 Å²	115.1	83%	0.829	62%	0.621	S	S	*	*			trans	-59.9	106.9	161.5	-77.3	-35.1	0	0	0	107.4	P566 E570	P566-N568 VanDerWaalsContact C-N 3.35Å; P566-N568 PolarHBondContact O-N 3.02Å; N568-E570 VanDerWaalsContact C-N 3.27Å; N568-E570 PolarHBondContact O-N 2.9Å
569	G	35.2	Very low	55.4	Low	70 Å²	70	118.3 Å²	118.3	72%	0.722	65%	0.645	S	S	*	*	S	Bend	trans	-71.4	48.4	-150.6	0	0	0	0	0	118.7	E567 K571	E567-G569 PolarHBondContact O-N 2.95Å; G569-K571 PolarHBondContact O-N 3.12Å
570	E	41.4	Very low	52.7	Low	148 Å²	148	117.7 Å²	117.7	69%	0.692	66%	0.656	S	S	*	*			trans	-85.8	85.3	162.8	-74.9	-163.3	-175.8	0	0	111.1	N568 K572	N568-E570 VanDerWaalsContact C-N 3.27Å; N568-E570 PolarHBondContact O-N 2.9Å; E570-K572 PolarHBondContact O-N 2.69Å; E570-K572 IonicContact OE2-NZ 3.38Å; E570-K572 PolarHBondContact OE2-NZ 2.94Å
571	K	37.4	Very low	50.1	Low	175 Å²	175	118.8 Å²	118.8	76%	0.761	67%	0.665	S	S	*	*			trans	-66.5	80.1	168.5	-73.9	-176.3	177.5	176.4	0	111	G569 T573	G569-K571 PolarHBondContact O-N 3.12Å; K571-T573 PolarHBondContact O-N 2.65Å
572	K	41	Very low	47.3	Very low	166 Å²	166	123.3 Å²	123.3	72%	0.722	68%	0.681	S	S	*	*			trans	-71.6	81.7	167.3	-74.8	-167.3	169.6	83.7	0	109.8	E570 S574	E570-K572 PolarHBondContact O-N 2.69Å; E570-K572 IonicContact OE2-NZ 3.38Å; E570-K572 PolarHBondContact OE2-NZ 2.94Å; K572-S574 PolarHBondContact O-N 3.01Å
573	T	35	Very low	44.7	Very low	132 Å²	132	127 Å²	127	81%	0.81	70%	0.696	S	S	*	*			trans	-56.9	106.9	166.4	40.4	0	0	0	0	109.7	K571	K571-T573 PolarHBondContact O-N 2.65Å
574	S	38.3	Very low	41.9	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	70%	0.701	S	S	*	*			trans	-103.4	141.1	162.2	-171.3	0	0	0	0	108.5	M1 K572	M1-S574 VanDerWaalsContact CE-C 3.49Å; M1-S574 VanDerWaalsContact CE-O 3.32Å; M1-S574 WeakPolarHBondContact CE-O 3.49Å; K572-S574 PolarHBondContact O-N 3.01Å
575	T	39.5	Very low	39.4	Very low	107 Å²	107	129.3 Å²	129.3	66%	0.656	71%	0.705	S	S	*	*			trans	-102	138.1	-173	-47.4	0	0	0	0	109.8	M1 N577	M1-T575 WeakPolarHBondContact CE-O 3.16Å; T575-N577 PolarHBondContact O-N 3.04Å
576	K	37.7	Very low	37.5	Very low	96 Å²	96	129.6 Å²	129.6	42%	0.417	72%	0.715	S	S	.	*			trans	-73.3	75.5	177.2	-98.1	-165.7	174.2	-178.4	0	110.8	M1 D3 Y4 T578	M1-K576 HydrophobicContact CE-CB 4.48Å; M1-K576 HydrophobicContact CE-CG 4.02Å; M1-K576 HydrophobicContact CG-CG 4.01Å; D3-K576 IonicContact OD1-NZ 3.29Å; D3-K576 PolarHBondContact OD1-NZ 3.33Å; D3-K576 WeakPolarHBondContact OD2-CE 3.47Å; D3-K576 IonicContact OD2-NZ 2.69Å; D3-K576 PolarHBondContact OD2-NZ 2.86Å; Y4-K576 PolarHBondContact OH-NZ 3.12Å; K576-T578 PolarHBondContact O-N 3.1Å
577	N	35.1	Very low	35.7	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	72%	0.721	S	S	*	*			trans	-86.8	88.2	166.5	-75.5	10.1	0	0	0	109.3	T575 S579	T575-N577 PolarHBondContact O-N 3.04Å; N577-S579 PolarHBondContact O-N 2.6Å
578	T	36.1	Very low	34.6	Very low	118 Å²	118	127 Å²	127	72%	0.724	72%	0.716	S	S	*	*			trans	-82.9	104.6	174.4	-57.9	0	0	0	0	110.4	K576	K576-T578 PolarHBondContact O-N 3.1Å
579	S	37.6	Very low	33.8	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	72%	0.717	S	S	*	*			trans	-168.2	126.4	154	-86.7	0	0	0	0	114.2	N577	N577-S579 PolarHBondContact O-N 2.6Å
580	A	33.2	Very low	33.5	Very low	84 Å²	84	132.2 Å²	132.2	69%	0.694	72%	0.719	S	S	*	*			trans	66.6	163.8	151	0	0	0	0	0	120.9
581	N	34.4	Very low	33	Very low	115 Å²	115	133.3 Å²	133.3	62%	0.615	72%	0.724	S	S	*	*			trans	65.6	87.4	167.9	-54.2	13	0	0	0	115.8
582	Y	27.2	Very low	32.8	Very low	195 Å²	195	132.4 Å²	132.4	77%	0.765	72%	0.72	S	S	*	*				61.7	148.2	61	60.9	-118.2	0	0	0	117
583	E	31.2	Very low	32.2	Very low	172 Å²	172	129.6 Å²	129.6	80%	0.804	72%	0.72	S	S	*	*			trans	74	116.7	-165.4	-56.1	-173.6	-174.8	0	0	113.7
584	T	28.8	Very low	32	Very low	112 Å²	112	131.5 Å²	131.5	69%	0.687	72%	0.72	S	S	*	*			cis	84.3	137.5	47.4	64.6	0	0	0	0	115.4
585	N	29.7	Very low	31.4	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	73%	0.725	S	S	*	*			trans	69.9	101.3	169	-54	-27.5	0	0	0	115.4
586	T	28.8	Very low	30.8	Very low	117 Å²	117	135.8 Å²	135.8	72%	0.718	73%	0.728	S	S	*	*				73.7	123	73.9	63.4	0	0	0	0	116.7
587	C	24.5	Very low	30.4	Very low	116 Å²	116	138 Å²	138	78%	0.784	75%	0.745	S	S	*	*			trans	81	145.4	147.3	85.2	0	0	0	0	121.9
588	S	30	Very low	30.1	Very low	101 Å²	101	135 Å²	135	71%	0.706	74%	0.736	S	S	*	*			trans	89.7	117.4	157.7	-54.9	0	0	0	0	120.2
589	F	26.8	Very low	29.9	Very low	195 Å²	195	136.4 Å²	136.4	86%	0.855	74%	0.739	S	S	*	*			trans	-1.7	141.5	131.9	-63.2	-94.6	0	0	0	116
590	N	30.1	Very low	29.3	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	74%	0.739	S	S	*	*			cis	-160.3	-176.2	46.7	-132	4.6	0	0	0	114.4
591	E	30.8	Very low	29.1	Very low	171 Å²	171	141.3 Å²	141.3	80%	0.799	75%	0.745	S	S	*	*			trans	-74.4	143.1	-175.1	-53.3	162.4	128.2	0	0	115.1
592	K	33.2	Very low	28.9	Very low	155 Å²	155	139.3 Å²	139.3	67%	0.674	74%	0.74	S	S	*	*				-171.2	153	122.1	-108.3	173.8	178.6	-178.3	0	112.5	C380	C380-K592 VanDerWaalsContact SG-CD 3.6Å
593	C	27.4	Very low	28.9	Very low	107 Å²	107	136.2 Å²	136.2	72%	0.723	74%	0.742	S	S	*	*			trans	-95.4	156.2	177.7	-52.1	0	0	0	0	111.1
594	H	30.8	Very low	28.8	Very low	173 Å²	173	133.4 Å²	133.4	80%	0.801	74%	0.737	S	S	*	*				-174	123.3	113.1	-99.5	-72.3	0	0	0	114.3
595	I	26.5	Very low	28.8	Very low	142 Å²	142	132 Å²	132	73%	0.728	73%	0.731	S	S	*	*			trans	-8.2	135.1	147.1	-24.4	171.9	0	0	0	117.8
596	I	27.1	Very low	28.7	Very low	141 Å²	141	133.2 Å²	133.2	72%	0.723	73%	0.733	S	S	*	*				166.1	145.6	117.9	-87.2	168.8	0	0	0	112.4
597	N	28.9	Very low	28.8	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	73%	0.731	S	S	*	*			trans	62.1	125.5	175.2	-67.9	-13.9	0	0	0	117.9
598	S	29	Very low	29.1	Very low	85 Å²	85	137.3 Å²	137.3	59%	0.594	73%	0.729	S	S	*	*			cis	98.9	137.4	23.8	81.7	0	0	0	0	114.8
599	N	31.3	Very low	29.1	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	73%	0.729	S	S	*	*			trans	60.2	111.4	171.2	-52.1	-11.9	0	0	0	115
600	F	24.8	Very low	29.2	Very low	184 Å²	184	136.5 Å²	136.5	81%	0.807	72%	0.721	S	S	*	*			cis	65.9	71.4	41.1	-143	-64.6	0	0	0	113.5	S602	F600-S602 WeakPolarHBondContact CD1-OG 3.45Å; F600-S602 WeakPolarHBondContact CE1-OG 3.47Å
601	S	30.9	Very low	28.9	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	72%	0.721	S	S	*	*			trans	-145	95.5	149.3	-73.4	0	0	0	0	105.7
602	S	28.2	Very low	28.8	Very low	73 Å²	73	132.9 Å²	132.9	51%	0.51	72%	0.72	S	S	.	*				72.8	127.3	65.8	-59.7	0	0	0	0	112.8	F600	F600-S602 WeakPolarHBondContact CD1-OG 3.45Å; F600-S602 WeakPolarHBondContact CE1-OG 3.47Å
603	T	27.2	Very low	28.5	Very low	129 Å²	129	131 Å²	131	79%	0.791	73%	0.726	S	S	*	*			trans	60.1	139.7	149.1	51.6	0	0	0	0	118
604	T	29.3	Very low	28.5	Very low	114 Å²	114	137 Å²	137	70%	0.699	74%	0.736	S	S	*	*			cis	-152.9	150.4	9.8	-5.8	0	0	0	0	107.8
605	S	28.6	Very low	28.4	Very low	83 Å²	83	134.6 Å²	134.6	58%	0.58	73%	0.729	S	S	*	*				54.7	158.4	103.5	83.2	0	0	0	0	116.6
606	E	29	Very low	28.7	Very low	163 Å²	163	131.5 Å²	131.5	76%	0.762	72%	0.718	S	S	*	*			trans	65.9	139.7	-157	-61	113.4	-95.9	0	0	111.1
607	D	31.4	Very low	28.8	Very low	127 Å²	127	133.6 Å²	133.6	68%	0.679	72%	0.718	S	S	*	*			cis	-153.8	168.4	23.2	-128.7	-11.4	0	0	0	113.7
608	Y	29.8	Very low	28.9	Very low	191 Å²	191	130.5 Å²	130.5	75%	0.749	71%	0.707	S	S	*	*			trans	19.9	123.8	169.9	-61.4	-96.6	0	0	0	120.1
609	N	29.2	Very low	29.2	Very low	130 Å²	130	131.8 Å²	131.8	70%	0.695	71%	0.708	S	S	*	*				69.1	116.1	53.2	-154	16.2	0	0	0	115.1
610	H	28.9	Very low	29.2	Very low	149 Å²	149	131 Å²	131	69%	0.69	70%	0.703	S	S	*	*			trans	56.7	126.6	165.1	-81	-58.7	0	0	0	124
611	N	25	Very low	29.6	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	70%	0.701	S	S	*	*			trans	66.4	127.8	130.6	-60	0.7	0	0	0	122.4
612	A	27.4	Very low	29.9	Very low	95 Å²	95	128.6 Å²	128.6	79%	0.785	70%	0.696	S	S	*	*			trans	-53.7	150	168.8	0	0	0	0	0	116.6
613	S	27.5	Very low	30	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	71%	0.708	S	S	*	*			trans	-169.4	119.9	142.1	-85.7	0	0	0	0	112.9
614	Y	27	Very low	30.2	Very low	234 Å²	234	131.4 Å²	131.4	92%	0.918	71%	0.709	S	S	*	*			trans	173.9	98	157.8	-99.2	-70.4	0	0	0	105
615	N	30.3	Very low	30.2	Very low	122 Å²	122	129.9 Å²	129.9	65%	0.652	70%	0.703	S	S	*	*			cis	66.6	133.5	42	-152.8	34.5	0	0	0	111.6
616	P	32.5	Very low	30.3	Very low	77 Å²	77	135.9 Å²	135.9	50%	0.5	72%	0.719	S	S	.	*			cis	-129.7	-166	12.1	22.5	6.2	0	0	0	113.3
617	Y	29	Very low	30.4	Very low	184 Å²	184	131.3 Å²	131.3	72%	0.722	72%	0.716	S	S	*	*			cis	-153.1	146.3	20.8	-93.7	-66.6	0	0	0	114.6	H745	Y617-H745 PolarHBondContact O-NE2 3.37Å
618	S	30.3	Very low	30.5	Very low	78 Å²	78	133.6 Å²	133.6	55%	0.545	72%	0.722	S	S	.	*			trans	61.2	115.3	148.9	-91.7	0	0	0	0	125.9	H745	S618-H745 VanDerWaalsContact C-NE2 3.27Å; S618-H745 WeakPolarHBondContact CA-NE2 3.46Å; S618-H745 PolarHBondContact N-NE2 2.88Å
619	N	35	Very low	30.7	Very low	113 Å²	113	131.7 Å²	131.7	60%	0.604	73%	0.725	S	S	*	*				99.4	102.8	123.9	-61.6	5.2	0	0	0	123.4	H745	N619-H745 PolarHBondContact N-CD2 3.34Å
620	N	33	Very low	30.4	Very low	130 Å²	130	131.2 Å²	131.2	70%	0.695	73%	0.731	S	S	*	*				73.3	110	121.4	-51.2	-7.8	0	0	0	123.4
621	D	31.6	Very low	30.7	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	74%	0.743	S	S	*	*				12.6	158.6	124.7	-67.1	-65.1	0	0	0	122.4
622	P	37	Very low	31	Very low	110 Å²	110	132 Å²	132	71%	0.714	74%	0.742	S	S	*	*			cis	-149.6	147.2	29.6	38.9	-16.6	0	0	0	121.8
623	V	30.2	Very low	31.3	Very low	127 Å²	127	136 Å²	136	77%	0.77	74%	0.744	S	S	*	*				58	161.5	126.1	-165.9	0	0	0	0	122.8
624	V	31.8	Very low	31.4	Very low	135 Å²	135	136.3 Å²	136.3	82%	0.818	74%	0.737	S	S	*	*			trans	99.6	154.9	165.1	-164	0	0	0	0	116.6
625	S	30.5	Very low	31.7	Very low	81 Å²	81	131 Å²	131	57%	0.566	73%	0.734	S	S	*	*				-155.7	179.2	-121.5	55.3	0	0	0	0	115
626	F	29	Very low	31.7	Very low	210 Å²	210	134.2 Å²	134.2	92%	0.921	74%	0.742	S	S	*	*			trans	70	156.1	-178.8	-49.7	-80.8	0	0	0	115
627	G	31.2	Very low	31.5	Very low	67 Å²	67	141 Å²	141	69%	0.691	76%	0.759	S	S	*	*			cis	178.8	158.1	-7.3	0	0	0	0	0	112.9
628	E	34.2	Very low	31.6	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.813	76%	0.76	S	S	*	*			trans	36.1	115.5	155.7	-51.1	-176.8	163.5	0	0	121.9
629	N	33.5	Very low	31.7	Very low	151 Å²	151	139 Å²	139	81%	0.807	77%	0.767	S	S	*	*				173.3	157.6	94.7	-97.8	-63.3	0	0	0	114.5
630	C	24.5	Very low	31.2	Very low	120 Å²	120	141.5 Å²	141.5	81%	0.811	78%	0.78	S	S	*	*			trans	-109.1	158	-178.2	-59.7	0	0	0	0	113.2
631	K	34.2	Very low	31.3	Very low	218 Å²	218	141.3 Å²	141.3	95%	0.948	78%	0.783	S	S	*	*			trans	-162.1	153.5	144.9	-108.6	160.2	-170.8	178.7	0	110.5
632	A	31.9	Very low	31.2	Very low	91 Å²	91	140.9 Å²	140.9	75%	0.752	78%	0.781	S	S	*	*			trans	-135.7	160.2	-171	0	0	0	0	0	111.6
633	H	32.7	Very low	30.9	Very low	177 Å²	177	145.7 Å²	145.7	82%	0.819	79%	0.791	S	S	*	*				-167.7	169.9	125.7	-115.6	-72.5	0	0	0	112.8
634	D	30.2	Very low	31.1	Very low	123 Å²	123	144.5 Å²	144.5	66%	0.658	78%	0.783	S	S	*	*			trans	-83.2	161.8	-162.2	-40.7	-80.9	0	0	0	115.7
635	S	32.6	Very low	30.9	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	79%	0.786	S	S	*	*				-156.5	152.8	114.5	50.7	0	0	0	0	110.5	Y637	S635-Y637 PolarHBondContact O-N 2.76Å
636	F	31.5	Very low	30.9	Very low	190 Å²	190	146.8 Å²	146.8	83%	0.833	80%	0.798	S	S	*	*			trans	-82.3	116.3	-164.9	-107.7	-119.4	0	0	0	113.9
637	Y	27.4	Very low	30.9	Very low	219 Å²	219	144.2 Å²	144.2	86%	0.859	79%	0.794	S	S	*	*			trans	-146.3	116.2	155.4	-111.5	-78.2	0	0	0	108.8	S635 P639	S635-Y637 PolarHBondContact O-N 2.76Å; Y637-P639 VanDerWaalsContact O-CD 3.23Å; Y637-P639 WeakPolarHBondContact O-CD 3.45Å
638	P	32.5	Very low	31	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	80%	0.8	S	S	*	*			trans	-78.5	115.1	175.8	29.1	-31.8	0	0	0	110.6
639	P	31.5	Very low	30.8	Very low	106 Å²	106	145.3 Å²	145.3	69%	0.688	80%	0.798	S	S	*	*			trans	-74.1	152.6	176.4	31	-34.3	0	0	0	111.7	Y637 V641	Y637-P639 VanDerWaalsContact O-CD 3.23Å; Y637-P639 WeakPolarHBondContact O-CD 3.45Å; P639-V641 HydrophobicContact CG-CG2 4.17Å; P639-V641 PolarHBondContact O-N 3.28Å
640	L	25.4	Very low	30.8	Very low	167 Å²	167	146.1 Å²	146.1	87%	0.874	80%	0.8	S	S	*	*			trans	-68.6	96	173.2	-70.9	166.7	0	0	0	110.8
641	V	33.4	Very low	31.1	Very low	125 Å²	125	146.5 Å²	146.5	76%	0.758	79%	0.79	S	S	*	*			trans	-99	143.2	176.6	-178.3	0	0	0	0	111.7	P639	P639-V641 HydrophobicContact CG-CG2 4.17Å; P639-V641 PolarHBondContact O-N 3.28Å
642	N	29.7	Very low	30.9	Very low	132 Å²	132	143.4 Å²	143.4	71%	0.706	78%	0.779	S	S	*	*			trans	-78.4	130.1	-172.3	-166.6	26.5	0	0	0	111.8	T644	N642-T644 PolarHBondContact O-N 3.06Å
643	K	31.7	Very low	31	Very low	212 Å²	212	146.8 Å²	146.8	92%	0.922	78%	0.783	S	S	*	*			trans	-93.8	95	173.6	-93.5	-169	173.7	-176.5	0	111.7
644	T	33.9	Very low	31.1	Very low	101 Å²	101	143.8 Å²	143.8	62%	0.62	78%	0.777	S	S	*	*			trans	-132.8	122.7	162.8	46.1	0	0	0	0	108.7	N642	N642-T644 PolarHBondContact O-N 3.06Å
645	C	26.8	Very low	31.2	Very low	130 Å²	130	143.8 Å²	143.8	88%	0.878	78%	0.782	S	S	*	*			trans	49.8	98.7	177	-66.6	0	0	0	0	117.4
646	V	31.2	Very low	31.1	Very low	135 Å²	135	143 Å²	143	82%	0.818	78%	0.777	S	S	*	*			trans	-132.2	102.4	141.8	-178.3	0	0	0	0	107.9
647	N	29.1	Very low	31.1	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	77%	0.774	S	S	*	*			trans	-119.4	144.7	152.1	-102.1	-5.3	0	0	0	105.6
648	S	33.2	Very low	31.3	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	77%	0.769	S	S	*	*			trans	71	98.6	-176.2	-46.4	0	0	0	0	115.9
649	L	29.9	Very low	30.9	Very low	146 Å²	146	135.1 Å²	135.1	76%	0.764	77%	0.77	S	S	*	*				-168.5	69.9	125.1	-159.8	75.8	0	0	0	114.4
650	I	34.5	Very low	30.9	Very low	168 Å²	168	137.1 Å²	137.1	86%	0.862	78%	0.78	S	S	*	*			trans	-148.8	101.6	147.8	-53	-179.4	0	0	0	103.7
651	H	30.6	Very low	31.1	Very low	128 Å²	128	135.1 Å²	135.1	59%	0.593	78%	0.775	S	S	*	*			cis	79.4	106.9	23.6	-142.7	-93.3	0	0	0	115
652	H	30.4	Very low	31.1	Very low	154 Å²	154	136.3 Å²	136.3	71%	0.713	78%	0.776	S	S	*	*			trans	56.3	117.4	-176.8	-58.4	-41.4	0	0	0	115.8
653	L	32.9	Very low	31.1	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	78%	0.778	S	S	*	*				-159.4	149.9	76.9	-89.1	156.9	0	0	0	112.4
654	V	34.3	Very low	31.2	Very low	115 Å²	115	131.8 Å²	131.8	70%	0.697	77%	0.768	S	S	*	*			trans	42.3	100.3	154.3	-171.9	0	0	0	0	116.5
655	T	32	Very low	31	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	77%	0.772	S	S	*	*				68.1	108.7	51	-42	0	0	0	0	114.6
656	S	31.1	Very low	31.1	Very low	106 Å²	106	134 Å²	134	74%	0.741	77%	0.768	S	S	*	*			trans	67.9	153.2	170	82	0	0	0	0	115.7
657	S	32.7	Very low	31.1	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	76%	0.76	S	S	*	*			cis	-140.4	168.1	10.4	-76.2	0	0	0	0	113.5
658	T	29.6	Very low	31.1	Very low	122 Å²	122	130.6 Å²	130.6	75%	0.748	75%	0.753	S	S	*	*			trans	-59.5	142	177.9	48.7	0	0	0	0	117
659	T	25.9	Very low	30.9	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	75%	0.753	S	S	*	*			trans	40.8	123.7	138.5	63.6	0	0	0	0	121.6
660	T	31	Very low	31	Very low	147 Å²	147	134.7 Å²	134.7	90%	0.902	76%	0.759	S	S	*	*				-161	152.7	116.6	21.6	0	0	0	0	111
661	T	28.8	Very low	30.6	Very low	125 Å²	125	131.2 Å²	131.2	77%	0.767	75%	0.75	S	S	*	*			trans	-93.5	145.2	173.7	47.9	0	0	0	0	111.8
662	L	33.1	Very low	30.5	Very low	151 Å²	151	134.5 Å²	134.5	79%	0.791	76%	0.762	S	S	*	*				176.1	145.6	129.4	-93.4	155.7	0	0	0	113
663	D	30.8	Very low	30.3	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	77%	0.77	S	S	*	*			trans	45.3	129.1	156.2	-56.8	-15.8	0	0	0	124.4
664	P	34.4	Very low	30	Very low	110 Å²	110	133.5 Å²	133.5	71%	0.714	77%	0.767	S	S	*	*			trans	-103.9	178.5	163	35.6	-25	0	0	0	114.3
665	F	28	Very low	29.7	Very low	161 Å²	161	134.1 Å²	134.1	71%	0.706	77%	0.766	S	S	*	*			trans	81.1	101.6	172.2	-67.9	-86.4	0	0	0	120.2
666	C	29.9	Very low	29.7	Very low	115 Å²	115	137.1 Å²	137.1	78%	0.777	77%	0.768	S	S	*	*				-148.1	128.2	126.2	-85.9	0	0	0	0	105.7
667	T	31.1	Very low	29.5	Very low	106 Å²	106	140.4 Å²	140.4	65%	0.65	77%	0.772	S	S	*	*				56.5	133.4	61.4	70.8	0	0	0	0	112.8
668	T	29.9	Very low	29.4	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	77%	0.773	S	S	*	*			cis	-162.7	165.1	-8.8	9.5	0	0	0	0	108
669	H	28.3	Very low	29.2	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.806	77%	0.774	S	S	*	*			trans	34.5	130.5	158.8	-69.6	-79.3	0	0	0	121.3
670	I	31.2	Very low	29.4	Very low	174 Å²	174	146.5 Å²	146.5	89%	0.892	78%	0.78	S	S	*	*				-169.2	160	119.6	-99.7	154.4	0	0	0	110.5
671	S	27.1	Very low	29.2	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	77%	0.771	S	S	*	*			trans	-106.5	157.7	-167.3	55.9	0	0	0	0	114.4
672	K	27.3	Very low	29.5	Very low	197 Å²	197	143.9 Å²	143.9	86%	0.857	77%	0.774	S	S	*	*			trans	50.6	102.7	154.6	-66	178.4	176.6	-176.3	0	119.3
673	C	27.7	Very low	29.4	Very low	129 Å²	129	142.6 Å²	142.6	87%	0.872	77%	0.772	S	S	*	*				-165	131.8	128.9	-95.1	0	0	0	0	106.6
674	E	26.6	Very low	29.4	Very low	165 Å²	165	141.6 Å²	141.6	77%	0.771	77%	0.771	S	S	*	*				70.8	109.3	60.2	-98.4	-152.2	-133.5	0	0	116.9
675	N	27.1	Very low	29.3	Very low	127 Å²	127	141.9 Å²	141.9	68%	0.679	78%	0.776	S	S	*	*			trans	71.5	150.9	137.6	-78.2	-43.8	0	0	0	122.8
676	K	31.9	Very low	29.6	Very low	185 Å²	185	138.7 Å²	138.7	80%	0.804	77%	0.774	S	S	*	*			trans	75.9	120.3	173.2	-62.4	152.9	-172.9	171.1	0	114.4
677	Q	26.9	Very low	29.8	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	77%	0.771	S	S	*	*				76.5	155.9	59	-74.7	-166.6	-3.6	0	0	114.2
678	I	29.9	Very low	29.7	Very low	157 Å²	157	141.4 Å²	141.4	81%	0.805	77%	0.77	S	S	*	*			trans	97	111.7	-177.3	-58.5	161.7	0	0	0	111.2
679	Y	25.9	Very low	30	Very low	196 Å²	196	144 Å²	144	77%	0.769	77%	0.772	S	S	*	*			cis	109.1	118.9	33.9	-107.2	-69.6	0	0	0	111.6	S681	Y679-S681 WeakPolarHBondContact CD1-OG 3.06Å
680	C	29.9	Very low	30.1	Very low	131 Å²	131	140 Å²	140	89%	0.885	76%	0.764	S	S	*	*			trans	-173.4	86.2	154	-92.9	0	0	0	0	106.3
681	S	28.2	Very low	30.2	Very low	101 Å²	101	138.2 Å²	138.2	71%	0.706	76%	0.755	S	S	*	*				77.5	100.2	61.5	-58.2	0	0	0	0	113.6	Y679	Y679-S681 WeakPolarHBondContact CD1-OG 3.06Å
682	S	34.6	Very low	30.5	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	76%	0.76	S	S	*	*			trans	-147	-174.7	171	72.9	0	0	0	0	111
683	T	30.9	Very low	30.7	Very low	124 Å²	124	139.6 Å²	139.6	76%	0.761	76%	0.758	S	S	*	*			trans	-153	150.7	-145.2	50.1	0	0	0	0	114.2
684	T	31	Very low	31.1	Very low	118 Å²	118	137.9 Å²	137.9	72%	0.724	75%	0.746	S	S	*	*			cis	-178.6	153.7	-19.2	31	0	0	0	0	108.9
685	S	31.6	Very low	31.4	Very low	115 Å²	115	136.8 Å²	136.8	80%	0.804	75%	0.745	S	S	*	*			trans	66.7	150.4	162.4	-73.1	0	0	0	0	117.8
686	S	34.1	Very low	31.6	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	76%	0.755	S	S	*	*			cis	-170.3	-168.9	-11.5	55.4	0	0	0	0	108.5
687	H	34.5	Very low	31.5	Very low	155 Å²	155	137.8 Å²	137.8	72%	0.718	75%	0.753	S	S	*	*			cis	-166	145.8	5.8	-136	20.9	0	0	0	110.5
688	L	30	Very low	31.8	Very low	123 Å²	123	134.2 Å²	134.2	64%	0.644	75%	0.745	S	S	*	*			trans	42.1	150.1	135.2	-58.8	-175.8	0	0	0	122.6
689	K	34.9	Very low	31.8	Very low	168 Å²	168	131.2 Å²	131.2	73%	0.73	74%	0.738	S	S	*	*			cis	-169	143.7	20.5	-135.2	170.1	-176.3	179.7	0	113.9
690	S	30.9	Very low	31.9	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	74%	0.736	S	S	*	*			trans	41.9	147.2	139	63	0	0	0	0	122.9
691	I	32.8	Very low	31.7	Very low	136 Å²	136	131.2 Å²	131.2	70%	0.697	73%	0.733	S	S	*	*				-167.2	141.4	64.3	-81.4	-177.7	0	0	0	113.6
692	E	33.5	Very low	31.6	Very low	168 Å²	168	134.9 Å²	134.9	79%	0.785	73%	0.731	S	S	*	*			trans	32.8	118.6	150.5	-63.3	148.4	-145.7	0	0	126.8
693	N	32	Very low	31.3	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	73%	0.727	S	S	*	*				37.9	166.6	101.2	-96.3	-7.6	0	0	0	123.6
694	P	36.6	Very low	31.1	Very low	94 Å²	94	134.7 Å²	134.7	61%	0.61	72%	0.722	S	S	*	*			cis	-144.6	178.6	-20.7	40.9	-21.5	0	0	0	118
695	N	31.9	Very low	31	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	73%	0.726	S	S	*	*			trans	45.7	128.1	147.4	-55.9	-16.4	0	0	0	124.6
696	L	32.2	Very low	30.8	Very low	169 Å²	169	138.3 Å²	138.3	89%	0.885	72%	0.72	S	S	*	*				177.2	154.3	96.7	-113.9	109.5	0	0	0	115
697	E	29.2	Very low	30.4	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	72%	0.723	S	S	*	*			trans	-108.8	-174	175.9	-95.3	-90.4	149	0	0	110.1
698	P	33.8	Very low	30	Very low	100 Å²	100	140 Å²	140	65%	0.649	73%	0.725	S	S	*	*			cis	-141.5	-172.6	2	39.2	-17.8	0	0	0	118.3
699	S	29.8	Very low	30	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	73%	0.734	S	S	*	*			trans	91.6	107	134.9	68.8	0	0	0	0	124.7
700	T	26.9	Very low	29.6	Very low	118 Å²	118	141.8 Å²	141.8	72%	0.724	74%	0.739	S	S	*	*			trans	32.7	129.7	130	60.1	0	0	0	0	123.6
701	Y	27.4	Very low	29.7	Very low	210 Å²	210	142.2 Å²	142.2	82%	0.824	74%	0.74	S	S	*	*				-173.7	-173.5	102.7	-116.9	-93.5	0	0	0	114.4
702	R	26.1	Very low	29.3	Very low	177 Å²	177	144.5 Å²	144.5	67%	0.668	75%	0.745	S	S	*	*			trans	-84.6	155.8	-154	-65.4	164.2	73.3	173.9	1.2	118.7
703	E	27	Very low	29	Very low	158 Å²	158	141.9 Å²	141.9	74%	0.738	74%	0.736	S	S	*	*			trans	78.6	159.8	136.4	-82.8	153.8	-151.9	0	0	122.8
704	A	27.8	Very low	28.8	Very low	80 Å²	80	142.8 Å²	142.8	66%	0.661	73%	0.733	S	S	*	*			trans	-92.6	159.6	-154.9	0	0	0	0	0	115.2
705	F	27.6	Very low	28.3	Very low	184 Å²	184	141.7 Å²	141.7	81%	0.807	73%	0.728	S	S	*	*				-175.7	136.3	110.3	-99.7	-66.9	0	0	0	113.5
706	N	27.6	Very low	28.2	Very low	124 Å²	124	140.2 Å²	140.2	66%	0.663	72%	0.716	S	S	*	*			trans	40.7	123.1	145.9	-69.7	-4.8	0	0	0	123.6
707	N	26.6	Very low	28	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	69%	0.693	S	S	*	*				87.6	152.2	127.8	-69.6	-17.9	0	0	0	123
708	I	26.3	Very low	28	Very low	148 Å²	148	131.3 Å²	131.3	76%	0.759	68%	0.678	S	S	*	*			trans	93	110.8	152.5	-73	148.4	0	0	0	120.2
709	T	28.9	Very low	27.9	Very low	133 Å²	133	131.8 Å²	131.8	82%	0.816	68%	0.675	S	S	*	*			trans	69.5	116.6	152.5	47.4	0	0	0	0	124.3
710	K	27.4	Very low	27.8	Very low	194 Å²	194	131 Å²	131	84%	0.843	67%	0.669	S	S	*	*			trans	-68.4	-172	143.9	-64.6	179.8	168.2	-179.4	0	111.1
711	P	31.9	Very low	27.8	Very low	102 Å²	102	132.6 Å²	132.6	66%	0.662	67%	0.673	S	S	*	*			cis	-135.3	-163.1	-9.3	18.2	10	0	0	0	115.1
712	F	25.9	Very low	27.8	Very low	183 Å²	183	127.7 Å²	127.7	80%	0.803	66%	0.66	S	S	*	*			trans	97.1	148.4	159.6	-75.5	-108.6	0	0	0	119
713	N	26.8	Very low	28	Very low	114 Å²	114	126.8 Å²	126.8	61%	0.61	66%	0.662	S	S	*	*			cis	-176.4	168.9	-29.1	-156.9	0.1	0	0	0	112.1
714	F	27.2	Very low	28	Very low	172 Å²	172	125.3 Å²	125.3	75%	0.754	66%	0.659	S	S	*	*			trans	66.1	155.9	168.6	-75.7	-101.5	0	0	0	118.8
715	S	27	Very low	28.2	Very low	70 Å²	70	129.4 Å²	129.4	49%	0.49	66%	0.662	S	S	.	*			cis	179.8	175.3	-25.4	59.2	0	0	0	0	114.4
716	E	28.5	Very low	28.2	Very low	110 Å²	110	126.1 Å²	126.1	51%	0.514	65%	0.653	S	S	.	*			trans	79.3	154.3	141.3	-84.7	-167	-112.8	0	0	122.8	H117 N118	H117-E716 PolarHBondContact CE1-O 2.89Å; H117-E716 PolarHBondContact ND1-O 3.47Å; N118-E716 WeakPolarHBondContact OD1-CA 3.39Å; N118-E716 PolarHBondContact OD1-N 3.07Å; N118-E716 PolarHBondContact OD1-O 3.41Å
717	N	27.7	Very low	28.3	Very low	75 Å²	75	127 Å²	127	40%	0.401	65%	0.653	S	S	.	*			cis	-163.7	158.7	-23.5	-143.1	-12.5	0	0	0	116.1	H117 N118	H117-N717 VanDerWaalsContact CB-C 3.43Å; H117-N717 PolarHBondContact CD2-O 3.48Å; H117-N717 PolarHBondContact CE1-N 3.19Å; H117-N717 VanDerWaalsContact CE1-N 3.27Å; H117-N717 PolarHBondContact ND1-N 3.43Å; H117-N717 VanDerWaalsContact ND1-N 3.11Å; H117-N717 PolarHBondContact NE2-O 3.46Å; N118-N717 WeakPolarHBondContact OD1-CA 3.37Å; N118-N717 PolarHBondContact OD1-N 3.46Å
718	T	29.6	Very low	28.4	Very low	72 Å²	72	128.5 Å²	128.5	44%	0.442	65%	0.653	S	S	.	*			trans	84.4	124	157.2	67.4	0	0	0	0	126.4	Y116	Y116-T718 WeakPolarHBondContact CB-O 3.49Å; Y116-T718 WeakPolarHBondContact CD2-O 3.38Å
719	N	31.4	Very low	28.5	Very low	110 Å²	110	127.9 Å²	127.9	59%	0.588	65%	0.651	S	S	*	*				78.4	153.4	129.1	-67.8	-7.2	0	0	0	124.1	Y116	Y116-N719 WeakPolarHBondContact CD2-O 3.24Å
720	S	28.1	Very low	28.5	Very low	77 Å²	77	125.2 Å²	125.2	54%	0.538	64%	0.638	S	S	.	*			cis	176.4	164.3	-17.1	61.3	0	0	0	0	114.5
721	L	27.7	Very low	28.7	Very low	153 Å²	153	123.3 Å²	123.3	80%	0.801	63%	0.632	S	S	*	*			trans	70.8	150.8	149.2	-72.9	165	0	0	0	118.9
722	N	26.8	Very low	28.6	Very low	106 Å²	106	127.1 Å²	127.1	57%	0.567	64%	0.638	S	S	*	*			cis	-167.7	-179	-16	-160.9	18	0	0	0	112.3
723	F	29.2	Very low	28.7	Very low	159 Å²	159	125.2 Å²	125.2	70%	0.697	64%	0.635	S	S	*	*			trans	94.5	94.4	156	-71.2	-65.1	0	0	0	120.7
724	D	27.7	Very low	29	Very low	127 Å²	127	124.7 Å²	124.7	68%	0.679	64%	0.638	S	S	*	*			trans	-35.8	160.3	140.4	-42.3	-82	0	0	0	115
725	K	31.9	Very low	29.2	Very low	165 Å²	165	122.2 Å²	122.2	72%	0.717	63%	0.632	S	S	*	*				-179.6	128.2	102.2	-97.8	179.9	-176	175.2	0	115
726	N	28.2	Very low	29.3	Very low	116 Å²	116	126.2 Å²	126.2	62%	0.62	64%	0.641	S	S	*	*				65.2	155.7	125.6	-63.4	19.1	0	0	0	120
727	E	30.1	Very low	29.2	Very low	142 Å²	142	124.8 Å²	124.8	66%	0.664	64%	0.64	S	S	*	*			cis	-152.7	139.9	-11.5	-122.9	167.1	126.4	0	0	111.1
728	F	27.5	Very low	29.3	Very low	171 Å²	171	128 Å²	128	75%	0.75	65%	0.653	S	S	*	*			trans	49.4	160.3	131.2	-90	-119.1	0	0	0	123.1
729	N	28.7	Very low	29.2	Very low	135 Å²	135	131.3 Å²	131.3	72%	0.722	66%	0.661	S	S	*	*			trans	76.2	137	152.3	-74	-38.2	0	0	0	118.6
730	S	29	Very low	28.9	Very low	77 Å²	77	129.7 Å²	129.7	54%	0.538	65%	0.652	S	S	.	*			cis	-165.9	166	-18.4	-131.6	0	0	0	0	111.3
731	Q	31.7	Very low	28.8	Very low	154 Å²	154	132.4 Å²	132.4	72%	0.72	65%	0.654	S	S	*	*			trans	68.3	116.3	147.2	-72.4	165.4	18.1	0	0	116.9
732	K	30.8	Very low	28.7	Very low	181 Å²	181	129.9 Å²	129.9	79%	0.787	64%	0.638	S	S	*	*				68.5	138.8	92.1	-73.6	-172.8	-179.1	179.3	0	113.2
733	I	27.1	Very low	28.7	Very low	143 Å²	143	129.9 Å²	129.9	73%	0.733	64%	0.638	S	S	*	*			cis	-163	160.1	-11.3	-122.2	167.9	0	0	0	105.3
734	P	33.6	Very low	28.6	Very low	103 Å²	103	128.1 Å²	128.1	67%	0.669	64%	0.636	S	S	*	*			trans	-83.4	161.2	-172.6	35.2	-36.7	0	0	0	113.5
735	D	30.6	Very low	28.7	Very low	120 Å²	120	125.4 Å²	125.4	64%	0.642	62%	0.619	S	S	*	*			trans	-162.7	120.9	134	-107.5	9.7	0	0	0	109.8
736	K	29.8	Very low	28.5	Very low	155 Å²	155	123.1 Å²	123.1	67%	0.674	61%	0.614	S	S	*	*				88.7	100.7	95.9	-83.1	-171.1	-167.1	79.5	0	114.6
737	T	26.2	Very low	28.4	Very low	79 Å²	79	122 Å²	122	49%	0.485	62%	0.615	S	S	.	*			trans	55.4	117.9	142.5	32.3	0	0	0	0	119.8	K340 F341	K340-T737 WeakPolarHBondContact O-CB 3.15Å; K340-T737 PolarHBondContact O-OG1 3.2Å; F341-T737 WeakPolarHBondContact CA-O 3.41Å; F341-T737 WeakPolarHBondContact CB-O 3.16Å; F341-T737 PolarHBondContact N-O 3.25Å
738	E	29.4	Very low	28.3	Very low	144 Å²	144	124.7 Å²	124.7	67%	0.673	63%	0.625	S	S	*	*			trans	-140.3	98.6	150.6	-159.3	104.6	-156.6	0	0	107.7	F341	F341-E738 VanDerWaalsContact C-CA 3.47Å; F341-E738 HydrophobicContact CB-CB 4.2Å; F341-E738 HydrophobicContact CB-CG 3.85Å; F341-E738 WeakPolarHBondContact CB-OE1 3.1Å; F341-E738 VanDerWaalsContact CB-OE2 3.25Å; F341-E738 WeakPolarHBondContact CB-OE2 3.48Å
739	F	26.7	Very low	28.5	Very low	141 Å²	141	121.1 Å²	121.1	62%	0.618	62%	0.621	S	S	*	*	B	Isolated β-bridge	trans	-66.3	168.6	-177.4	-110	-91.2	0	0	0	113.7	F341 T342 Y343	F341-F739 VanDerWaalsContact C-N 3.3Å; F341-F739 WeakPolarHBondContact O-CB 3.27Å; F341-F739 PolarHBondContact O-N 3.15Å; T342-F739 CarbonylContact C-O 3.27Å; T342-F739 VanDerWaalsContact C-O 3.27Å; T342-F739 VanDerWaalsContact CA-O 3.32Å; T342-F739 WeakPolarHBondContact CA-O 3.39Å; T342-F739 HydrophobicContact CG2-CB 3.84Å; Y343-F739 PolarHBondContact N-O 2.98Å
740	I	25.6	Very low	28.5	Very low	76 Å²	76	119.1 Å²	119.1	39%	0.39	62%	0.618	S	S	.	*			trans	82.9	-143.3	151.3	-84.3	160.9	0	0	0	116.1	T342	T342-I740 HydrophobicContact CG2-CB 4.29Å; T342-I740 HydrophobicContact CG2-CD1 3.91Å
741	F	25.8	Very low	28.6	Very low	133 Å²	133	123.7 Å²	123.7	58%	0.583	63%	0.628	S	S	*	*				-142.5	163.8	-127.4	-73.9	173.3	0	0	0	117.2	H344	H344-F741 PolarHBondContact N-O 3.34Å; H344-F741 VanDerWaalsContact N-O 3.12Å
742	Q	26.8	Very low	28.6	Very low	101 Å²	101	123.1 Å²	123.1	47%	0.472	63%	0.63	S	S	.	*			trans	73.2	146.5	159.3	-73.9	162.2	-78.4	0	0	115.1	H344 S345 T346	H344-Q742 PolarHBondContact O-OE1 3.33Å; S345-Q742 VanDerWaalsContact CA-OE1 3.27Å; T346-Q742 VanDerWaalsContact N-OE1 3.11Å; T346-Q742 PolarHBondContact O-NE2 3.38Å; T346-Q742 VanDerWaalsContact O-NE2 3.1Å
743	N	27.1	Very low	28.3	Very low	106 Å²	106	120.2 Å²	120.2	57%	0.567	63%	0.631	S	S	*	*			cis	-147.9	178.6	11.7	-138.2	-6.6	0	0	0	114.3
744	N	26.7	Very low	28.6	Very low	122 Å²	122	118 Å²	118	65%	0.652	63%	0.626	S	S	*	*			trans	-51.9	164.9	170.4	-52.2	-74.2	0	0	0	114.7
745	H	30.4	Very low	28.4	Very low	69 Å²	69	118.9 Å²	118.9	32%	0.319	63%	0.63	S	S	.	*				-170.4	136.1	117.4	-96.8	-46.6	0	0	0	111.9	Y617 S618 N619	Y617-H745 PolarHBondContact O-NE2 3.37Å; S618-H745 VanDerWaalsContact C-NE2 3.27Å; S618-H745 WeakPolarHBondContact CA-NE2 3.46Å; S618-H745 PolarHBondContact N-NE2 2.88Å; N619-H745 PolarHBondContact N-CD2 3.34Å
746	N	26.9	Very low	28.3	Very low	117 Å²	117	117.1 Å²	117.1	63%	0.626	63%	0.627	S	S	*	*				62.5	145.2	97.1	-69.6	29.4	0	0	0	114.3
747	C	26.3	Very low	28.1	Very low	93 Å²	93	117 Å²	117	63%	0.628	63%	0.632	S	S	*	*			cis	-160	-163.8	3.5	-125.5	0	0	0	0	112.4
748	F	27.5	Very low	28.3	Very low	198 Å²	198	120 Å²	120	87%	0.868	64%	0.644	S	S	*	*			trans	88.5	136	162.7	-54.1	-72.8	0	0	0	117.4
749	S	31.3	Very low	28.1	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	65%	0.647	S	S	*	*			cis	-168.6	146	-11.2	48.2	0	0	0	0	112.6
750	S	30.1	Very low	28.1	Very low	93 Å²	93	116.1 Å²	116.1	65%	0.65	65%	0.651	S	S	*	*			trans	62.7	163.5	153	-79.5	0	0	0	0	118.9
751	F	31.2	Very low	28	Very low	173 Å²	173	118.5 Å²	118.5	76%	0.759	67%	0.669	S	S	*	*			cis	-131	139.5	-8.5	-98	-63.1	0	0	0	110.2
752	D	30.9	Very low	28.2	Very low	142 Å²	142	120 Å²	120	76%	0.759	68%	0.681	S	S	*	*			trans	62.6	137.6	139.9	-61.2	-9.5	0	0	0	125.1
753	C	24.8	Very low	28	Very low	119 Å²	119	120 Å²	120	80%	0.804	69%	0.693	S	S	*	*			trans	-80.7	-163.7	158.8	-127.1	0	0	0	0	108.4
754	P	32.8	Very low	28.1	Very low	96 Å²	96	120.5 Å²	120.5	62%	0.623	70%	0.699	S	S	*	*			cis	-137.8	-168.7	9.1	36.5	-13.5	0	0	0	114.7
755	T	30.6	Very low	28.1	Very low	122 Å²	122	121.4 Å²	121.4	75%	0.748	70%	0.704	S	S	*	*			trans	64.4	152.3	147.2	46	0	0	0	0	120.2
756	S	27.1	Very low	28.3	Very low	83 Å²	83	127 Å²	127	58%	0.58	73%	0.728	S	S	*	*			cis	175.8	165.1	-23.5	55.6	0	0	0	0	109.8
757	L	26.5	Very low	28.5	Very low	152 Å²	152	127.9 Å²	127.9	80%	0.796	73%	0.731	S	S	*	*			trans	69.3	157.2	150.4	-74.9	161.5	0	0	0	118.3
758	I	30.1	Very low	28.8	Very low	142 Å²	142	131 Å²	131	73%	0.728	74%	0.736	S	S	*	*			trans	66.8	103.8	165.8	-58.9	141	0	0	0	113.3
759	S	24.2	Very low	29.1	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	73%	0.729	S	S	*	*				70.1	154.5	50.5	-45.4	0	0	0	0	114.7
760	S	28.2	Very low	29.2	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	73%	0.728	S	S	*	*			trans	74.5	114.4	-176	-38.2	0	0	0	0	113
761	T	23.7	Very low	29.5	Very low	125 Å²	125	130.5 Å²	130.5	77%	0.767	73%	0.73	S	S	*	*				50.1	112.4	66.5	73.4	0	0	0	0	114.4
762	I	28.7	Very low	29.8	Very low	164 Å²	164	129.1 Å²	129.1	84%	0.841	73%	0.726	S	S	*	*			trans	-172	141.3	132.2	-97.9	152.4	0	0	0	108.9
763	S	23.6	Very low	29.9	Very low	102 Å²	102	129 Å²	129	71%	0.713	73%	0.725	S	S	*	*			trans	-89.3	-162.7	-179.7	-47.7	0	0	0	0	111.9
764	T	28	Very low	30.3	Very low	116 Å²	116	128.7 Å²	128.7	71%	0.712	72%	0.72	S	S	*	*			trans	84.6	143.6	164.7	79.4	0	0	0	0	116.2
765	N	27.8	Very low	30.2	Very low	141 Å²	141	128 Å²	128	75%	0.754	72%	0.718	S	S	*	*			cis	-165.7	-179.5	-13.9	-107.8	-15.3	0	0	0	109.9
766	K	33.4	Very low	30.2	Very low	188 Å²	188	129.4 Å²	129.4	82%	0.817	72%	0.715	S	S	*	*			trans	87.8	136.7	163.2	-60.7	-177	179.4	179.5	0	115.7
767	I	32.6	Very low	30.3	Very low	135 Å²	135	132.7 Å²	132.7	69%	0.692	72%	0.719	S	S	*	*			cis	-151	137.9	4.7	-111.5	153.9	0	0	0	110.4
768	H	32.3	Very low	30.4	Very low	157 Å²	157	131.8 Å²	131.8	73%	0.727	72%	0.715	S	S	*	*			trans	49.1	156.1	154.4	-71.3	-133.9	0	0	0	120.3
769	E	33.2	Very low	30.3	Very low	153 Å²	153	131.9 Å²	131.9	72%	0.715	71%	0.712	S	S	*	*			cis	-148.5	122.6	5.9	-123.4	138.8	-139.2	0	0	106.6
770	S	34.5	Very low	30.6	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	71%	0.712	S	S	*	*				45.3	135.6	105	64.8	0	0	0	0	116.9
771	D	35.6	Very low	30.6	Very low	130 Å²	130	136.6 Å²	136.6	70%	0.695	71%	0.714	S	S	*	*			cis	-163.7	173.2	14.8	-134.9	-41.5	0	0	0	114.2
772	H	38	Very low	30.7	Very low	144 Å²	144	134.9 Å²	134.9	67%	0.667	71%	0.707	S	S	*	*			trans	73.9	121	159.9	-65.2	-3.6	0	0	0	119.4
773	N	32.7	Very low	30.7	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	70%	0.699	S	S	*	*				90.2	140.4	62	-75.9	-16.2	0	0	0	113.1
774	T	32.3	Very low	30.9	Very low	113 Å²	113	135.3 Å²	135.3	69%	0.693	70%	0.702	S	S	*	*			cis	-161.7	141.8	6.4	-108.4	0	0	0	0	113.7
775	S	30.7	Very low	30.8	Very low	82 Å²	82	135 Å²	135	57%	0.573	70%	0.7	S	S	*	*			trans	44.9	134.4	147.4	-60.6	0	0	0	0	126.7
776	Q	31.1	Very low	30.7	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	70%	0.703	S	S	*	*				74.1	158	127.6	-72.3	162.4	-1.1	0	0	119.8
777	F	28.5	Very low	30.2	Very low	152 Å²	152	133.3 Å²	133.3	67%	0.667	70%	0.698	S	S	*	*			cis	-156.2	155.2	6.8	-119.1	-40.2	0	0	0	111.3
778	L	30.3	Very low	29.9	Very low	133 Å²	133	133.5 Å²	133.5	70%	0.696	70%	0.701	S	S	*	*			trans	57.6	161.1	149.3	-60.8	165.9	0	0	0	120.4
779	E	26.9	Very low	29.5	Very low	145 Å²	145	130.9 Å²	130.9	68%	0.678	70%	0.7	S	S	*	*			cis	-178	177.4	-48.7	-112.3	-169.7	166.3	0	0	108.1
780	F	29.9	Very low	29.3	Very low	166 Å²	166	130.4 Å²	130.4	73%	0.728	70%	0.703	S	S	*	*			trans	68.8	116.4	174.8	-63.4	-88.1	0	0	0	116.1
781	N	29.6	Very low	28.9	Very low	137 Å²	137	131.3 Å²	131.3	73%	0.733	70%	0.7	S	S	*	*				74	139.7	66.3	-68.7	-26.6	0	0	0	113.8
782	S	26.1	Very low	28.5	Very low	90 Å²	90	132 Å²	132	63%	0.629	70%	0.704	S	S	*	*			cis	-170.6	177.1	-15.5	56	0	0	0	0	110.1
783	T	27.7	Very low	28	Very low	110 Å²	110	131.4 Å²	131.4	68%	0.675	71%	0.71	S	S	*	*			trans	62.9	114.2	150.6	44.3	0	0	0	0	121.9
784	Q	27.5	Very low	27.8	Very low	164 Å²	164	128.2 Å²	128.2	77%	0.766	71%	0.71	S	S	*	*				88.3	132.1	125.4	-69.8	-176.7	22.9	0	0	123.5
785	T	26.5	Very low	27.6	Very low	111 Å²	111	128.3 Å²	128.3	68%	0.681	72%	0.715	S	S	*	*			trans	77.6	119.5	139.8	48.7	0	0	0	0	123.7
786	F	24.4	Very low	27.5	Very low	187 Å²	187	129 Å²	129	82%	0.82	72%	0.72	S	S	*	*			trans	60.9	124.7	140.7	-77.6	-77.8	0	0	0	122.9
787	C	24.1	Very low	27.3	Very low	105 Å²	105	128.4 Å²	128.4	71%	0.709	72%	0.72	S	S	*	*			trans	76.5	143.8	143.1	-74.1	0	0	0	0	121.6
788	N	25.7	Very low	27.3	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	72%	0.718	S	S	*	*			trans	63.2	93.3	151.8	-59.1	-0.2	0	0	0	119.3
789	S	25	Very low	27.1	Very low	102 Å²	102	130 Å²	130	71%	0.713	72%	0.719	S	S	*	*				26.7	100.3	124.5	60.3	0	0	0	0	118.7
790	N	27.6	Very low	27.3	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	72%	0.716	S	S	*	*				-169.9	138.7	119.7	-102.7	-44.7	0	0	0	114
791	N	26	Very low	27.3	Very low	115 Å²	115	126.3 Å²	126.3	62%	0.615	71%	0.709	S	S	*	*			trans	15.5	149.4	144.4	-56.5	-32.5	0	0	0	122.7
792	N	27.7	Very low	27.2	Very low	145 Å²	145	125.9 Å²	125.9	78%	0.775	70%	0.699	S	S	*	*			trans	78.5	145.7	153.9	-60.4	-17.4	0	0	0	117.6
793	T	28	Very low	27.3	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	69%	0.687	S	S	*	*			cis	-163.7	151	-12.3	16.8	0	0	0	0	110.6
794	G	28.1	Very low	27.5	Very low	72 Å²	72	123.6 Å²	123.6	74%	0.742	68%	0.678	S	S	*	*			trans	81.5	154.9	163	0	0	0	0	0	114.9
795	S	28.6	Very low	27.5	Very low	116 Å²	116	121.2 Å²	121.2	81%	0.811	67%	0.669	S	S	*	*			cis	-145.6	135.9	-3.8	-90.3	0	0	0	0	108.6
796	S	28.4	Very low	27.6	Very low	97 Å²	97	120.9 Å²	120.9	68%	0.678	67%	0.667	S	S	*	*				62.2	124.9	99.1	-149.2	0	0	0	0	112.4
797	I	27.2	Very low	27.8	Very low	136 Å²	136	118.4 Å²	118.4	70%	0.697	66%	0.662	S	S	*	*				-159.2	121.9	72.1	-93.6	175.1	0	0	0	111
798	M	27.7	Very low	28.1	Very low	125 Å²	125	118 Å²	118	62%	0.616	66%	0.658	S	S	*	*			trans	64.7	152.5	130.1	-56.8	-153.1	-160.2	0	0	122
799	R	26.9	Very low	28.4	Very low	193 Å²	193	117.9 Å²	117.9	73%	0.728	66%	0.658	S	S	*	*			cis	-154.4	125.2	-19.1	-109	-169.8	-172	165.4	6.7	107.3
800	T	29.8	Very low	28.5	Very low	99 Å²	99	118.5 Å²	118.5	61%	0.607	66%	0.657	S	S	*	*				65	142.7	84.2	75.8	0	0	0	0	115.2
801	K	31.1	Very low	28.4	Very low	135 Å²	135	116.4 Å²	116.4	59%	0.587	65%	0.654	S	S	*	*			cis	-175.9	160.4	10.9	-118	165.3	-177.5	-143.7	0	111.3
802	Y	27.4	Very low	28.3	Very low	129 Å²	129	120 Å²	120	51%	0.506	66%	0.664	S	S	.	*			trans	69.7	158.8	136.6	-67.8	-9.3	0	0	0	120.1	P910	Y802-P910 HydrophobicContact CD1-CG 3.99Å; Y802-P910 HydrophobicContact CE1-CG 3.72Å; Y802-P910 HydrophobicContact CE2-CG 4.47Å
803	D	29	Very low	28.1	Very low	73 Å²	73	121.4 Å²	121.4	39%	0.39	66%	0.664	S	S	.	*			cis	-156.5	173.4	-8.9	-103.7	-9.5	0	0	0	116.1	P910	D803-P910 WeakPolarHBondContact OD1-CD 3.45Å; D803-P910 WeakPolarHBondContact OD1-CG 3.25Å; D803-P910 WeakPolarHBondContact OD2-CG 3.5Å
804	T	30.2	Very low	27.9	Very low	79 Å²	79	120.7 Å²	120.7	49%	0.485	66%	0.659	S	S	.	*			trans	-151.6	-162.8	-142.4	-178.9	0	0	0	0	114.4	P910 S911 S912	T804-P910 WeakPolarHBondContact CG2-O 3.21Å; T804-S911 CarbonylContact O-C 3.51Å; T804-S911 VanDerWaalsContact O-C 3.31Å; T804-S911 WeakPolarHBondContact O-CA 3.46Å; T804-S912 PolarHBondContact O-N 2.72Å
805	I	28.9	Very low	27.7	Very low	113 Å²	113	123.8 Å²	123.8	58%	0.579	66%	0.659	S	S	*	*			trans	-170.5	156.5	176.8	-163	171.8	0	0	0	111.2	S911	I805-S911 WeakPolarHBondContact CA-OG 3.42Å
806	V	28	Very low	27.4	Very low	105 Å²	105	127.6 Å²	127.6	64%	0.636	66%	0.657	S	S	*	*			cis	74.1	124.7	-29.2	-143.7	0	0	0	0	126.2	S911	V806-S911 WeakPolarHBondContact CB-OG 3.48Å
807	N	29.3	Very low	27.3	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	66%	0.66	S	S	*	*			trans	-146.2	133.5	159.8	178.1	45.1	0	0	0	111.2
808	P	30.5	Very low	27.1	Very low	96 Å²	96	128.5 Å²	128.5	62%	0.623	65%	0.654	S	S	*	*			trans	-98.5	171.9	174	38.8	-34.8	0	0	0	113.6
809	N	31.4	Very low	26.9	Very low	138 Å²	138	127.9 Å²	127.9	74%	0.738	65%	0.654	S	S	*	*			trans	169.2	122.2	150.8	-84.6	-28.1	0	0	0	107.5
810	T	26.8	Very low	26.8	Very low	115 Å²	115	128 Å²	128	71%	0.706	66%	0.66	S	S	*	*				58.9	112	59.1	70.9	0	0	0	0	115.4
811	S	24.8	Very low	26.7	Very low	100 Å²	100	130.5 Å²	130.5	70%	0.699	67%	0.665	S	S	*	*				161.6	121.9	113.8	-76.8	0	0	0	0	116.4
812	F	23.8	Very low	26.4	Very low	189 Å²	189	130.2 Å²	130.2	83%	0.829	67%	0.674	S	S	*	*			trans	55.3	144.1	130	-74.7	-80.7	0	0	0	125.2
813	K	24.9	Very low	26.3	Very low	176 Å²	176	129.6 Å²	129.6	77%	0.765	68%	0.679	S	S	*	*			trans	72.8	121.6	159.2	-67.4	165	-179.4	179.3	0	115.1
814	T	23.8	Very low	26.1	Very low	114 Å²	114	131 Å²	131	70%	0.699	70%	0.695	S	S	*	*			cis	68.6	146.5	45	82.1	0	0	0	0	114.4
815	N	23.2	Very low	25.9	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	70%	0.704	S	S	*	*			trans	80.6	140.9	174.7	-53.6	16.4	0	0	0	114.4
816	Y	23.2	Very low	25.7	Very low	196 Å²	196	132.9 Å²	132.9	77%	0.769	71%	0.707	S	S	*	*			cis	-173.8	168.6	-22.5	-132.5	-79.8	0	0	0	106.6
817	L	24.9	Very low	25.7	Very low	143 Å²	143	134.4 Å²	134.4	75%	0.749	71%	0.707	S	S	*	*			trans	68.8	150.2	164.4	-59.5	165.4	0	0	0	116.6
818	N	23.5	Very low	25.5	Very low	109 Å²	109	134.4 Å²	134.4	58%	0.583	71%	0.707	S	S	*	*			cis	-162.7	175.4	-36.1	-121.2	37.7	0	0	0	107.4
819	D	24.4	Very low	25.3	Very low	112 Å²	112	133.8 Å²	133.8	60%	0.599	71%	0.705	S	S	*	*			trans	27.9	131.1	147.1	-38.4	-29.6	0	0	0	118.7
820	F	24.2	Very low	25.1	Very low	195 Å²	195	134.7 Å²	134.7	86%	0.855	71%	0.705	S	S	*	*				-152.9	151.7	57.6	-99.8	-85.3	0	0	0	114.9
821	E	26.5	Very low	25.2	Very low	152 Å²	152	136.8 Å²	136.8	71%	0.71	71%	0.707	S	S	*	*			trans	-67.8	156	161.5	-52.4	171	104.9	0	0	111.7
822	V	26.4	Very low	25.2	Very low	129 Å²	129	140.4 Å²	140.4	78%	0.782	71%	0.71	S	S	*	*				-174	107.7	120.5	148	0	0	0	0	105.4
823	N	25.5	Very low	25.3	Very low	116 Å²	116	137.2 Å²	137.2	62%	0.62	70%	0.701	S	S	*	*				69.6	148.5	69.7	-81.3	-42.1	0	0	0	115.1
824	S	24.7	Very low	25.4	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	70%	0.695	S	S	*	*			trans	81.7	92.9	174.2	-36.6	0	0	0	0	114.9
825	T	24.9	Very low	25.5	Very low	109 Å²	109	134.5 Å²	134.5	67%	0.669	70%	0.698	S	S	*	*				78.9	146.3	52.7	73.2	0	0	0	0	115.6
826	N	25.5	Very low	25.8	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	71%	0.706	S	S	*	*			trans	75.5	149.1	154.2	-62.8	-11	0	0	0	117.1
827	H	27	Very low	25.8	Very low	137 Å²	137	133.3 Å²	133.3	63%	0.634	71%	0.707	S	S	*	*			cis	-162.3	146.9	-9.3	-114.6	-41.4	0	0	0	109.5
828	N	26.3	Very low	25.8	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	71%	0.708	S	S	*	*			trans	61.7	165.6	138.5	-61.1	3	0	0	0	119.1
829	S	26.2	Very low	25.8	Very low	83 Å²	83	137.3 Å²	137.3	58%	0.58	72%	0.722	S	S	*	*			cis	-156.2	171.5	-18.5	41.7	0	0	0	0	109.7
830	E	27.3	Very low	25.9	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	73%	0.732	S	S	*	*			trans	57.7	115	153.8	-69.6	137.6	169.3	0	0	118.3
831	Q	27.4	Very low	26	Very low	158 Å²	158	137.3 Å²	137.3	74%	0.738	73%	0.729	S	S	*	*			cis	63	115.4	33.7	-165.1	-173.6	-2.6	0	0	114.8
832	F	25.6	Very low	26.4	Very low	177 Å²	177	140 Å²	140	78%	0.776	74%	0.739	S	S	*	*			trans	-174.9	115.1	138.5	-104.1	-87.7	0	0	0	104.4
833	L	26.2	Very low	26.2	Very low	121 Å²	121	138.9 Å²	138.9	63%	0.634	74%	0.736	S	S	*	*				62.4	136.3	81.5	-71.8	163.4	0	0	0	112.9
834	S	26.2	Very low	26.3	Very low	90 Å²	90	141.5 Å²	141.5	63%	0.629	75%	0.747	S	S	*	*			cis	-162.4	153.9	4.2	48.6	0	0	0	0	112.7
835	D	25.4	Very low	26.7	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	75%	0.747	S	S	*	*			trans	42.3	114.1	145.5	-51.7	-25	0	0	0	121.4
836	Q	29.5	Very low	26.6	Very low	196 Å²	196	147.4 Å²	147.4	92%	0.916	76%	0.76	S	S	*	*				-153	132.5	116.3	-114.4	162.4	60.4	0	0	111.9
837	S	23.9	Very low	26.9	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	75%	0.754	S	S	*	*			trans	-101.5	122.3	-171.4	55.1	0	0	0	0	112.6
838	I	24.6	Very low	26.9	Very low	150 Å²	150	147 Å²	147	77%	0.769	76%	0.755	S	S	*	*			trans	-127.5	131.6	157.2	-74.1	91.6	0	0	0	110.3
839	E	24	Very low	27	Very low	185 Å²	185	150.5 Å²	150.5	86%	0.864	76%	0.759	S	S	*	*			trans	-63.4	125.7	-179.9	174.7	177.4	-132.6	0	0	113.6
840	I	26.4	Very low	27	Very low	157 Å²	157	153.7 Å²	153.7	81%	0.805	77%	0.765	S	S	*	*			trans	-131.3	126.3	167.8	-59.9	-175.4	0	0	0	112.3
841	N	25.5	Very low	27	Very low	151 Å²	151	154.7 Å²	154.7	81%	0.807	77%	0.77	S	S	*	*			trans	-33.2	154.6	-178.7	-70.4	-71.6	0	0	0	121.8
842	K	35.3	Very low	27	Very low	208 Å²	208	152.6 Å²	152.6	90%	0.904	77%	0.772	S	S	*	*			trans	-61.1	135.5	161.4	-60.5	170.4	177.7	173.9	0	112.4
843	S	23.4	Very low	27	Very low	105 Å²	105	154.2 Å²	154.2	73%	0.734	78%	0.775	S	S	*	*			trans	-160.7	156.6	139.6	65.7	0	0	0	0	109.6
844	M	26.6	Very low	27	Very low	172 Å²	172	156.1 Å²	156.1	85%	0.847	78%	0.784	S	S	*	*			trans	63.3	155.2	-174.1	-51.9	-172.2	171.1	0	0	113.6
845	L	33.5	Very low	26.9	Very low	136 Å²	136	157.3 Å²	157.3	71%	0.712	79%	0.788	S	S	*	*			cis	-133.7	87.9	9.3	-172.3	73.4	0	0	0	111.3	N847	L845-N847 HydrophobicContact CD1-CB 3.86Å; L845-N847 HydrophobicContact CG-CB 4.28Å
846	E	23.6	Very low	26.8	Very low	199 Å²	199	158.2 Å²	158.2	93%	0.93	79%	0.793	S	S	*	*			trans	-89.3	105.5	149.4	-80.2	-177.8	146.3	0	0	106.6
847	N	30.2	Very low	26.7	Very low	102 Å²	102	155.2 Å²	155.2	55%	0.545	79%	0.791	S	S	.	*			trans	-161.6	121.7	174.7	-111.8	-35.7	0	0	0	109.1	L845	L845-N847 HydrophobicContact CD1-CB 3.86Å; L845-N847 HydrophobicContact CG-CB 4.28Å
848	K	27.7	Very low	26.9	Very low	150 Å²	150	154.9 Å²	154.9	65%	0.652	79%	0.789	S	S	*	*			trans	44.6	136.6	144.6	-49.2	-175.9	-176.1	-165.9	0	117.9
849	Y	28.1	Very low	27.1	Very low	207 Å²	207	156.7 Å²	156.7	81%	0.812	80%	0.795	S	S	*	*			cis	-129.7	150.1	26	-64.4	-100.9	0	0	0	109.3
850	H	26.7	Very low	27.2	Very low	151 Å²	151	154.7 Å²	154.7	70%	0.699	79%	0.79	S	S	*	*			cis	66.9	131.5	49.7	-131.3	-69	0	0	0	113.6
851	E	26.5	Very low	27.2	Very low	178 Å²	178	153.8 Å²	153.8	83%	0.832	79%	0.791	S	S	*	*			trans	-81.8	146.9	-165.2	-60	165.7	123.5	0	0	113.3
852	S	28.1	Very low	27.3	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	79%	0.785	S	S	*	*			trans	-148.6	131.7	153.7	49.8	0	0	0	0	113.1
853	Y	24.6	Very low	26.9	Very low	211 Å²	211	149.3 Å²	149.3	83%	0.827	78%	0.78	S	S	*	*			trans	-37.6	138.5	169.2	-56.2	-100.4	0	0	0	116.9
854	I	26.2	Very low	26.9	Very low	160 Å²	160	149.8 Å²	149.8	82%	0.821	77%	0.774	S	S	*	*				-152.1	98.1	127.5	-72.9	-155.8	0	0	0	104.9
855	T	25.1	Very low	26.8	Very low	116 Å²	116	145.9 Å²	145.9	71%	0.712	76%	0.763	S	S	*	*				44.3	126.6	83.9	24	0	0	0	0	116.4
856	D	23.8	Very low	26.4	Very low	162 Å²	162	146.1 Å²	146.1	87%	0.866	76%	0.763	S	S	*	*			trans	-65.4	140.3	-176.7	-56.9	-90.3	0	0	0	113.7
857	C	26.7	Very low	26.4	Very low	132 Å²	132	143.1 Å²	143.1	89%	0.892	75%	0.753	S	S	*	*			trans	-151	136.6	137.9	-142.2	0	0	0	0	109.4
858	S	28.3	Very low	26.1	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	76%	0.758	S	S	*	*			trans	-104.1	138	-176.9	-64.3	0	0	0	0	110.7
859	Q	27.9	Very low	26.1	Very low	189 Å²	189	140.3 Å²	140.3	88%	0.883	76%	0.761	S	S	*	*			trans	-160.6	148.8	144.3	-110.9	152.5	24.2	0	0	113
860	D	26.6	Very low	26	Very low	143 Å²	143	136.5 Å²	136.5	77%	0.765	75%	0.754	S	S	*	*			trans	-47.6	161.1	176.7	-49.8	-86.1	0	0	0	113.6
861	V	27.8	Very low	26.1	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	76%	0.76	S	S	*	*				-153	154.3	51.6	163.9	0	0	0	0	110.1
862	P	27.1	Very low	26	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	75%	0.751	S	S	*	*			trans	-108.4	174.8	-162.7	42.7	-36.2	0	0	0	115.4
863	M	26.4	Very low	25.9	Very low	161 Å²	161	137.3 Å²	137.3	79%	0.793	75%	0.748	S	S	*	*			trans	67.2	169.8	163.2	-64.4	-70	-96.2	0	0	114.7
864	D	24.1	Very low	26.3	Very low	114 Å²	114	135.6 Å²	135.6	61%	0.61	75%	0.745	S	S	*	*			cis	-143.7	127.8	4.9	-139.1	-27.4	0	0	0	112.4
865	C	23.8	Very low	26.2	Very low	91 Å²	91	131.8 Å²	131.8	62%	0.615	73%	0.726	S	S	*	*			trans	47.2	178.1	139.7	78.2	0	0	0	0	123.9
866	I	24.1	Very low	26.3	Very low	140 Å²	140	132 Å²	132	72%	0.718	72%	0.722	S	S	*	*			trans	63.8	125.1	160.9	-67.3	169.1	0	0	0	116.4
867	N	23.8	Very low	26.5	Very low	136 Å²	136	125.8 Å²	125.8	73%	0.727	69%	0.689	S	S	*	*			cis	-156.9	148.1	-11	-121.2	-15.6	0	0	0	112	S869	N867-S869 PolarHBondContact O-N 3.25Å
868	S	24.6	Very low	26.5	Very low	92 Å²	92	125.3 Å²	125.3	64%	0.643	67%	0.674	S	S	*	*				20.4	95.1	122.7	-174.8	0	0	0	0	118.8
869	S	27.2	Very low	26.5	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	67%	0.672	S	S	*	*			trans	-147.4	109.7	131.9	-82.3	0	0	0	0	107.6	N867	N867-S869 PolarHBondContact O-N 3.25Å
870	N	25.6	Very low	26.4	Very low	128 Å²	128	124.7 Å²	124.7	68%	0.684	66%	0.663	S	S	*	*				73.5	101.1	93.5	-62.8	-32.9	0	0	0	110
871	D	29.6	Very low	26.5	Very low	151 Å²	151	125.6 Å²	125.6	81%	0.807	66%	0.66	S	S	*	*				56.7	139	72.2	-99.2	-41	0	0	0	114.1
872	H	24.6	Very low	26.4	Very low	139 Å²	139	123.9 Å²	123.9	64%	0.644	65%	0.65	S	S	*	*			trans	67	147.3	-165.4	-62.3	-115.9	0	0	0	114.1
873	F	25.4	Very low	26.3	Very low	170 Å²	170	124.2 Å²	124.2	75%	0.746	65%	0.646	S	S	*	*			cis	-121.2	146	-3.6	-70	-97.2	0	0	0	108.5
874	K	32.7	Very low	26.4	Very low	175 Å²	175	128.2 Å²	128.2	76%	0.761	65%	0.654	S	S	*	*			cis	58.5	65.2	8.3	-154.9	-168.8	-178	-172	0	115.8
875	N	24.8	Very low	26.4	Very low	80 Å²	80	125.4 Å²	125.4	43%	0.428	64%	0.643	S	S	.	*				-154.4	140.3	126.6	-91	-18.9	0	0	0	107.6	L258	L258-N875 VanDerWaalsContact CD2-O 3.3Å; L258-N875 WeakPolarHBondContact CD2-O 3.42Å; L258-N875 WeakPolarHBondContact CG-O 3.47Å
876	L	28.3	Very low	26.6	Very low	119 Å²	119	130.6 Å²	130.6	62%	0.623	65%	0.651	S	S	*	*			cis	75.5	113.3	42.4	-177.4	138.1	0	0	0	112.7	L258	L258-L876 WeakPolarHBondContact CA-O 3.05Å
877	D	26.7	Very low	26.7	Very low	32 Å²	32	128.8 Å²	128.8	17%	0.171	65%	0.649	C	S	.	*			trans	-156.9	147.7	132.1	-104.9	-13.1	0	0	0	106.2	R257 L258 P259	R257-D877 PolarHBondContact N-O 2.9Å; R257-D877 WeakPolarHBondContact O-CB 3.33Å; L258-D877 VanDerWaalsContact C-OD2 3.3Å; P259-D877 WeakPolarHBondContact CA-OD2 3.19Å; P259-D877 VanDerWaalsContact N-OD2 3.07Å
878	Q	26.7	Very low	26.7	Very low	123 Å²	123	125.8 Å²	125.8	58%	0.575	64%	0.638	S	S	*	*				58.4	145.3	106.3	-50.7	175.7	36.3	0	0	114.6
879	Q	28	Very low	26.8	Very low	148 Å²	148	126.6 Å²	126.6	69%	0.692	63%	0.632	S	S	*	*			cis	-133.1	133.3	23.5	-92.3	-169	17	0	0	113.8
880	L	26.4	Very low	26.7	Very low	134 Å²	134	129 Å²	129	70%	0.702	63%	0.63	S	S	*	*			trans	70.1	149.8	152.2	-51	164.7	0	0	0	115.9
881	K	28.9	Very low	26.6	Very low	161 Å²	161	128.9 Å²	128.9	70%	0.7	63%	0.63	S	S	*	*			cis	-150	127.5	-12.6	-114.9	170.8	168.8	160.3	0	107.4
882	T	25.9	Very low	26.4	Very low	103 Å²	103	127 Å²	127	63%	0.632	61%	0.614	S	S	*	*				56.1	148.9	97.7	75.2	0	0	0	0	116.9
883	N	24.4	Very low	26.3	Very low	111 Å²	111	126.8 Å²	126.8	59%	0.594	61%	0.613	S	S	*	*			cis	-169.8	142.7	-15.2	-103.7	-12.8	0	0	0	109.5	S885	N883-S885 WeakPolarHBondContact CB-OG 3.38Å; N883-S885 PolarHBondContact ND2-OG 3.2Å; N883-S885 PolarHBondContact OD1-OG 3.36Å
884	Y	28	Very low	26.2	Very low	244 Å²	244	122.6 Å²	122.6	96%	0.957	59%	0.593	S	S	*	*			trans	-154.8	72.2	146.5	-82.7	-70.7	0	0	0	104.2
885	S	24.8	Very low	25.7	Very low	55 Å²	55	116.6 Å²	116.6	39%	0.385	57%	0.569	S	S	.	*				48.3	110	60.1	-79.3	0	0	0	0	112	N883	N883-S885 WeakPolarHBondContact CB-OG 3.38Å; N883-S885 PolarHBondContact ND2-OG 3.2Å; N883-S885 PolarHBondContact OD1-OG 3.36Å
886	Y	28.8	Very low	25.7	Very low	200 Å²	200	118.4 Å²	118.4	78%	0.784	58%	0.579	S	S	*	*				68.4	127.3	83.4	-79.3	-66.4	0	0	0	110.8
887	P	26.2	Very low	25.6	Very low	103 Å²	103	116.7 Å²	116.7	67%	0.669	58%	0.576	S	S	*	*				-102.2	148.3	58.5	-4.6	24.6	0	0	0	112.9
888	S	24.3	Very low	25.5	Very low	72 Å²	72	121.5 Å²	121.5	50%	0.503	60%	0.602	S	S	.	*			cis	86.5	155	23.3	88.9	0	0	0	0	114.6
889	Q	26.3	Very low	25.4	Very low	110 Å²	110	123 Å²	123	51%	0.514	61%	0.607	S	S	.	*			trans	85.4	133.7	178.3	-58.6	173	-25.9	0	0	115.5
890	F	24.7	Very low	25.2	Very low	151 Å²	151	124.8 Å²	124.8	66%	0.662	61%	0.609	S	S	*	*			cis	-144.6	156.9	-7.3	-128.6	-64.6	0	0	0	111.5
891	N	22.4	Very low	25.2	Very low	126 Å²	126	124.4 Å²	124.4	67%	0.674	60%	0.603	S	S	*	*			trans	-56.6	139.5	169.6	-53.1	-11.6	0	0	0	111.2
892	K	26	Very low	25.1	Very low	111 Å²	111	122 Å²	122	48%	0.483	60%	0.598	S	S	.	*				-145.9	139.7	95.2	-83.5	136.2	179.8	167.4	0	105.6	L272 Y894	L272-K892 WeakPolarHBondContact O-CD 3.11Å; L272-K892 WeakPolarHBondContact O-CE 3.34Å; L272-K892 PolarHBondContact O-NZ 2.92Å; K892-Y894 HydrophobicContact CB-CD1 3.88Å; K892-Y894 HydrophobicContact CB-CE1 4.07Å; K892-Y894 HydrophobicContact CB-CG 4.33Å; K892-Y894 HydrophobicContact CD-CD1 4.15Å; K892-Y894 HydrophobicContact CD-CE1 3.79Å; K892-Y894 HydrophobicContact CG-CD1 3.81Å; K892-Y894 HydrophobicContact CG-CE1 3.47Å; K892-Y894 VanDerWaalsContact CG-CE1 3.47Å
893	E	22	Very low	25.1	Very low	134 Å²	134	124.2 Å²	124.2	63%	0.626	60%	0.601	S	S	*	*				50.5	164.8	66.7	-56.7	-163.2	120.5	0	0	112.7
894	Y	24.1	Very low	25.2	Very low	82 Å²	82	121.9 Å²	121.9	32%	0.322	60%	0.602	S	S	.	*			trans	81.5	46.5	159.9	-45.1	160	0	0	0	117.8	I269 P270 N271 K892	I269-Y894 WeakPolarHBondContact O-CA 3.25Å; I269-Y894 WeakPolarHBondContact O-CB 3.43Å; I269-Y894 WeakPolarHBondContact O-CD2 3.42Å; P270-Y894 VanDerWaalsContact C-CB 3.4Å; P270-Y894 VanDerWaalsContact CA-O 3.28Å; P270-Y894 WeakPolarHBondContact CA-O 3.33Å; N271-Y894 PolarHBondContact N-O 3.08Å; K892-Y894 HydrophobicContact CB-CD1 3.88Å; K892-Y894 HydrophobicContact CB-CE1 4.07Å; K892-Y894 HydrophobicContact CB-CG 4.33Å; K892-Y894 HydrophobicContact CD-CD1 4.15Å; K892-Y894 HydrophobicContact CD-CE1 3.79Å; K892-Y894 HydrophobicContact CG-CD1 3.81Å; K892-Y894 HydrophobicContact CG-CE1 3.47Å; K892-Y894 VanDerWaalsContact CG-CE1 3.47Å
895	I	23.1	Very low	25.1	Very low	50 Å²	50	119.4 Å²	119.4	26%	0.256	59%	0.593	S	S	.	*				66.7	134	98.2	-64.2	148.2	0	0	0	121.4	H268	H268-I895 VanDerWaalsContact C-CG2 3.41Å; H268-I895 HydrophobicContact CB-CB 4.36Å; H268-I895 HydrophobicContact CB-CD1 4.19Å; H268-I895 HydrophobicContact CB-CG1 4.21Å; H268-I895 HydrophobicContact CB-CG2 3.32Å; H268-I895 WeakPolarHBondContact CD2-CG2 3.35Å
896	N	23.8	Very low	25.2	Very low	118 Å²	118	123.7 Å²	123.7	63%	0.631	61%	0.607	S	S	*	*				-170.6	154.7	120	-142.3	-21.8	0	0	0	115.2
897	S	25.8	Very low	25.3	Very low	82 Å²	82	122.3 Å²	122.3	57%	0.573	61%	0.605	S	S	*	*			trans	-85.4	143.2	165.7	52.9	0	0	0	0	112.6
898	N	24.8	Very low	25.6	Very low	133 Å²	133	121.7 Å²	121.7	71%	0.711	60%	0.6	S	S	*	*			trans	-172.1	137.4	149.5	-93.9	-37.3	0	0	0	106.8
899	F	24.1	Very low	25.9	Very low	154 Å²	154	124.1 Å²	124.1	68%	0.675	61%	0.608	S	S	*	*				50.5	130.9	68.2	-75.3	-100.6	0	0	0	111.3	H901	F899-H901 HydrophobicContact CD1-CB 4.33Å
900	Y	25.4	Very low	26.2	Very low	187 Å²	187	120.7 Å²	120.7	73%	0.733	60%	0.595	S	S	*	*			cis	-132.2	152	28.9	-81.9	-107.1	0	0	0	111.1
901	H	26	Very low	26.3	Very low	126 Å²	126	115.5 Å²	115.5	58%	0.583	58%	0.578	S	S	*	*			cis	86.5	139.2	28.3	-174	51.1	0	0	0	114	F899	F899-H901 HydrophobicContact CD1-CB 4.33Å
902	L	25.9	Very low	26.6	Very low	111 Å²	111	112.6 Å²	112.6	58%	0.581	57%	0.567	S	S	*	*			trans	73.3	150.4	175.8	-55	168.4	0	0	0	116.5
903	Q	26.5	Very low	26.6	Very low	149 Å²	149	113.8 Å²	113.8	70%	0.696	58%	0.578	S	S	*	*			cis	-125.5	161.9	-15.2	-97.2	112.4	-0.3	0	0	108.2
904	G	26.3	Very low	26.8	Very low	61 Å²	61	114.4 Å²	114.4	63%	0.629	58%	0.584	S	S	*	*			cis	132.6	164.4	8.2	0	0	0	0	0	111.2
905	Y	25.1	Very low	26.8	Very low	193 Å²	193	115.5 Å²	115.5	76%	0.757	60%	0.604	S	S	*	*			trans	77.6	110.5	-172.4	-59.4	-81.1	0	0	0	114.5
906	Q	27.6	Very low	27.1	Very low	144 Å²	144	118.7 Å²	118.7	67%	0.673	63%	0.631	S	S	*	*			cis	63.9	136.1	48.5	-53.8	-170.6	20	0	0	111.8
907	K	31.4	Very low	27.4	Very low	172 Å²	172	117.6 Å²	117.6	75%	0.748	63%	0.632	S	S	*	*			cis	-169.9	-167.2	12.7	-122.7	165.5	-173.8	155.5	0	106.5
908	P	31.4	Very low	27.5	Very low	89 Å²	89	119.7 Å²	119.7	58%	0.578	64%	0.642	S	S	*	*			cis	-115.5	-179.8	-29.2	31.6	-10.2	0	0	0	110
909	N	31.2	Very low	27.6	Very low	124 Å²	124	119.9 Å²	119.9	66%	0.663	64%	0.642	S	S	*	*				55.4	150.8	51.4	-123	40.8	0	0	0	113.5
910	P	32	Very low	27.9	Very low	37 Å²	37	122.7 Å²	122.7	24%	0.24	65%	0.648	C	S	.	*				-149.7	-136.2	60.6	46.1	-25.5	0	0	0	115.2	Y802 D803 T804	Y802-P910 HydrophobicContact CD1-CG 3.99Å; Y802-P910 HydrophobicContact CE1-CG 3.72Å; Y802-P910 HydrophobicContact CE2-CG 4.47Å; D803-P910 WeakPolarHBondContact OD1-CD 3.45Å; D803-P910 WeakPolarHBondContact OD1-CG 3.25Å; D803-P910 WeakPolarHBondContact OD2-CG 3.5Å; T804-P910 WeakPolarHBondContact CG2-O 3.21Å
911	S	28.6	Very low	28	Very low	43 Å²	43	122.8 Å²	122.8	30%	0.301	65%	0.652	S	S	.	*			trans	-167.3	128.2	-178	-65.2	0	0	0	0	116	T804 I805 V806	T804-S911 CarbonylContact O-C 3.51Å; T804-S911 VanDerWaalsContact O-C 3.31Å; T804-S911 WeakPolarHBondContact O-CA 3.46Å; I805-S911 WeakPolarHBondContact CA-OG 3.42Å; V806-S911 WeakPolarHBondContact CB-OG 3.48Å
912	S	28	Very low	28.2	Very low	64 Å²	64	123.5 Å²	123.5	45%	0.448	66%	0.66	S	S	.	*			trans	176.8	166	159.2	55.2	0	0	0	0	113.3	T804	T804-S912 PolarHBondContact O-N 2.72Å
913	L	26.3	Very low	28.2	Very low	136 Å²	136	123.7 Å²	123.7	71%	0.712	67%	0.666	S	S	*	*			cis	-167.4	125.7	-33.6	-91.7	179	0	0	0	111.7
914	I	25.4	Very low	28.2	Very low	147 Å²	147	123.7 Å²	123.7	75%	0.754	67%	0.67	S	S	*	*			trans	49.8	134.6	141.4	-49.3	170.8	0	0	0	122.9
915	S	25.1	Very low	28.1	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	67%	0.673	S	S	*	*				167.3	139.9	122.1	-75.3	0	0	0	0	118.6
916	S	28.5	Very low	28.2	Very low	118 Å²	118	123.8 Å²	123.8	83%	0.825	67%	0.673	S	S	*	*			trans	64	143.1	154.3	-63.9	0	0	0	0	121
917	S	30.4	Very low	28	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	68%	0.68	S	S	*	*			cis	-167.6	133.3	-9	49	0	0	0	0	113.3
918	T	27.8	Very low	27.7	Very low	127 Å²	127	126.8 Å²	126.8	78%	0.779	69%	0.686	S	S	*	*			trans	56.5	148.2	149.6	56.8	0	0	0	0	120.2
919	L	28	Very low	27.4	Very low	137 Å²	137	131.8 Å²	131.8	72%	0.717	70%	0.695	S	S	*	*			cis	-156.7	146.2	24.3	-164	73.1	0	0	0	112
920	R	28.9	Very low	27.2	Very low	213 Å²	213	131.7 Å²	131.7	80%	0.804	69%	0.69	S	S	*	*			trans	37.3	118.6	158.3	-69.1	167.8	-171.9	-168.5	1.3	119.5
921	K	28.1	Very low	26.8	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	72%	0.719	S	S	*	*				62.3	110.5	66.1	-70.7	-167	172	-170.2	0	115.6
922	N	29.2	Very low	26.8	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	73%	0.727	S	S	*	*				163.8	111.5	125.6	-83.7	1.7	0	0	0	107.5
923	T	26.5	Very low	26.8	Very low	115 Å²	115	142 Å²	142	71%	0.706	74%	0.737	S	S	*	*				72.8	140	69.9	65	0	0	0	0	114.4
924	I	25.9	Very low	27.1	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	75%	0.746	S	S	*	*			trans	85.4	100.6	178.4	-53.9	166.5	0	0	0	111.5
925	T	25	Very low	27.2	Very low	115 Å²	115	145.8 Å²	145.8	71%	0.706	75%	0.749	S	S	*	*				85.5	145.4	72.8	-41.5	0	0	0	0	112.2
926	D	26.4	Very low	27.3	Very low	140 Å²	140	146.7 Å²	146.7	75%	0.749	75%	0.751	S	S	*	*			trans	84	140.8	164.8	-62	-54.1	0	0	0	120.3
927	Y	23.3	Very low	27.5	Very low	210 Å²	210	148.5 Å²	148.5	82%	0.824	75%	0.749	S	S	*	*			trans	-50.9	152.5	171.8	-68.5	-112.1	0	0	0	112.9
928	I	26.4	Very low	27.2	Very low	170 Å²	170	153.7 Å²	153.7	87%	0.872	76%	0.756	S	S	*	*				-165.2	157.3	108.8	-99.1	157	0	0	0	111.4
929	Y	24.5	Very low	27.4	Very low	194 Å²	194	153.3 Å²	153.3	76%	0.761	76%	0.756	S	S	*	*			trans	-78.6	-176.2	-174.8	-130.6	-113.4	0	0	0	112.9
930	H	27.1	Very low	27.3	Very low	121 Å²	121	151.4 Å²	151.4	56%	0.56	75%	0.75	S	S	*	*			trans	78.8	104	167.7	-61	-75.7	0	0	0	118.7	Q156	Q156-H930 PolarHBondContact NE2-CE1 3.35Å; Q156-H930 PolarHBondContact NE2-NE2 3.1Å
931	S	24.4	Very low	27.5	Very low	123 Å²	123	147.9 Å²	147.9	86%	0.86	75%	0.747	S	S	*	*			trans	-106.7	111.5	142.1	56.2	0	0	0	0	108.8
932	E	27.3	Very low	27.8	Very low	98 Å²	98	149.6 Å²	149.6	46%	0.458	75%	0.75	S	S	.	*			trans	-126.6	148	163.3	-75.3	-158.4	135.6	0	0	109.5	L153	L153-E932 HydrophobicContact CD1-CG 4.4Å; L153-E932 WeakPolarHBondContact CD1-OE1 3.35Å; L153-E932 WeakPolarHBondContact CG-OE1 3.13Å
933	E	28.9	Very low	27.9	Very low	141 Å²	141	150.6 Å²	150.6	66%	0.659	75%	0.754	S	S	*	*			trans	-84.7	137.9	-167.5	-55.3	-172.5	-177.1	0	0	112.5
934	K	33	Very low	28	Very low	206 Å²	206	149.3 Å²	149.3	90%	0.896	75%	0.75	S	S	*	*			trans	-137.7	119	147.9	-71.3	-163.5	175.4	174.5	0	112.2
935	N	26.5	Very low	28.5	Very low	155 Å²	155	151.2 Å²	151.2	83%	0.829	76%	0.755	S	S	*	*			trans	-24.7	133.4	158	-76.4	-77.1	0	0	0	115.2
936	T	28.1	Very low	28.8	Very low	124 Å²	124	151 Å²	151	76%	0.761	76%	0.759	S	S	*	*				-167.7	119.3	126.7	23.4	0	0	0	0	114.3
937	I	31.6	Very low	29.1	Very low	156 Å²	156	151.5 Å²	151.5	80%	0.8	77%	0.766	S	S	*	*			trans	65.2	125.8	131.4	-59.2	168.5	0	0	0	120.4
938	Y	24.1	Very low	29.6	Very low	203 Å²	203	148.5 Å²	148.5	80%	0.796	77%	0.765	S	S	*	*			trans	-53.5	150.9	168.5	-80.1	-94.4	0	0	0	115.1	T940	Y938-T940 WeakPolarHBondContact CD1-OG1 3.28Å
939	P	31.7	Very low	29.8	Very low	120 Å²	120	148.3 Å²	148.3	78%	0.779	76%	0.764	S	S	*	*				-134.1	146	78.2	37.4	-23.5	0	0	0	113.3
940	T	26.9	Very low	30.3	Very low	96 Å²	96	146 Å²	146	59%	0.589	77%	0.766	S	S	*	*				66.4	95.5	51.5	-45.5	0	0	0	0	113.7	Y938	Y938-T940 WeakPolarHBondContact CD1-OG1 3.28Å
941	D	31.7	Very low	30.6	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	78%	0.781	S	S	*	*				179	167.2	126.9	-98.7	-23.6	0	0	0	113.7
942	Y	35	Very low	31.3	Very low	226 Å²	226	149.5 Å²	149.5	89%	0.886	77%	0.772	S	S	*	*			trans	81.3	134.9	177.1	-66.7	-83.7	0	0	0	118.4
943	L	31.7	Very low	31.9	Very low	161 Å²	161	154 Å²	154	84%	0.843	79%	0.79	S	S	*	*			trans	-154	167.2	-151.8	-136	175.9	0	0	0	109.7
944	S	29.7	Very low	32.5	Very low	88 Å²	88	155.7 Å²	155.7	62%	0.615	80%	0.803	S	S	*	*			trans	85.1	146.7	172.7	-36.6	0	0	0	0	115.4
945	H	36.2	Very low	33.1	Very low	189 Å²	189	153 Å²	153	88%	0.875	80%	0.797	S	S	*	*			cis	-124.5	161.3	11.7	-79.7	-83.9	0	0	0	114.6
946	S	30.9	Very low	34.1	Very low	111 Å²	111	156.3 Å²	156.3	78%	0.776	80%	0.798	S	S	*	*			trans	-94.9	151.3	-177.2	48.9	0	0	0	0	114.3
947	V	33.1	Very low	35.2	Very low	150 Å²	150	154.6 Å²	154.6	91%	0.909	79%	0.788	S	S	*	*			trans	-139.7	147.3	160	-177.1	0	0	0	0	108.7
948	N	32.6	Very low	37	Very low	148 Å²	148	151.3 Å²	151.3	79%	0.791	78%	0.776	S	S	*	*			trans	-63.2	149.3	-168.1	-81.3	-30.3	0	0	0	116.3
949	L	31.3	Very low	38.9	Very low	165 Å²	165	147.2 Å²	147.2	86%	0.864	77%	0.772	S	S	*	*			trans	-80.9	135	152.6	-72.3	165.7	0	0	0	109.5
950	N	33.7	Very low	40.9	Very low	147 Å²	147	147.5 Å²	147.5	79%	0.786	77%	0.767	S	S	*	*			trans	-110.5	107.7	164.4	-79.7	9.3	0	0	0	109	D952	N950-D952 PolarHBondContact O-N 3.38Å
951	E	34.6	Very low	43	Very low	191 Å²	191	149 Å²	149	89%	0.893	77%	0.767	S	S	*	*			trans	-78.8	89.4	172.7	-64.3	-171.6	139.7	0	0	110.8
952	D	38.7	Very low	45	Very low	125 Å²	125	144.9 Å²	144.9	67%	0.668	75%	0.752	S	S	*	*			trans	-155.1	35.1	175	-131.5	-17.1	0	0	0	116.1	N950	N950-D952 PolarHBondContact O-N 3.38Å
953	K	40.9	Very low	47.1	Very low	192 Å²	192	136.9 Å²	136.9	84%	0.835	73%	0.733	S	S	*	*			trans	-135.6	54.5	172.6	-77.2	-164	175.1	179.6	0	114.1	I955	K953-I955 VanDerWaalsContact C-N 3.32Å; K953-I955 PolarHBondContact O-N 3.34Å
954	L	39.8	Very low	49.3	Very low	178 Å²	178	131.9 Å²	131.9	93%	0.932	72%	0.715	S	S	*	*			trans	-73.4	87.1	163.4	-142.1	80.2	0	0	0	109.5	R956	L954-R956 PolarHBondContact O-N 3.43Å
955	I	46.7	Very low	51.8	Low	148 Å²	148	133.7 Å²	133.7	76%	0.759	72%	0.718	S	S	*	*			trans	-68.4	94.8	177.2	-59.3	178.9	0	0	0	108.5	K953	K953-I955 VanDerWaalsContact C-N 3.32Å; K953-I955 PolarHBondContact O-N 3.34Å
956	R	48.2	Very low	54.1	Low	226 Å²	226	127.6 Å²	127.6	85%	0.853	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-57.9	121.7	175.2	-163	177.9	-171.3	-148.9	3.2	108.5	L954 T958	L954-R956 PolarHBondContact O-N 3.43Å; R956-T958 PolarHBondContact O-N 3.19Å
957	P	50.3	Low	56.7	Low	87 Å²	87	125.2 Å²	125.2	57%	0.565	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-60.7	134.5	-175.6	23.5	-33.2	0	0	0	110	H961	P957-H961 HydrophobicContact CB-CB 4.32Å
958	T	69.6	Low	59.2	Low	87 Å²	87	120.9 Å²	120.9	53%	0.534	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-63.6	155.9	176.7	59.5	0	0	0	0	110.1	R956 N960 H961 A962	R956-T958 PolarHBondContact O-N 3.19Å; T958-N960 PolarHBondContact O-N 3.4Å; T958-N960 VanDerWaalsContact O-N 3.13Å; T958-H961 PolarHBondContact O-N 3.09Å; T958-H961 PolarHBondContact OG1-N 3.19Å; T958-A962 PolarHBondContact O-N 2.79Å
959	T	64.6	Low	61.8	Low	117 Å²	117	116.6 Å²	116.6	72%	0.718	65%	0.652	S	S	*	*	H	α-helix	trans	-51.5	-36.3	173.9	42.1	0	0	0	0	112.1	A962 A963	T959-A962 PolarHBondContact O-N 3.48Å; T959-A963 VanDerWaalsContact O-CB 3.25Å; T959-A963 WeakPolarHBondContact O-CB 3.16Å; T959-A963 PolarHBondContact O-N 3.34Å
960	N	72.8	Confident	64.4	Low	126 Å²	126	111.6 Å²	111.6	67%	0.674	63%	0.634	S	S	*	*	H	α-helix	trans	-64.7	-37.9	175	-63.2	-3.8	0	0	0	112.8	T958 A964	T958-N960 PolarHBondContact O-N 3.4Å; T958-N960 VanDerWaalsContact O-N 3.13Å; N960-A964 WeakPolarHBondContact O-CB 3.27Å; N960-A964 PolarHBondContact O-N 2.91Å
961	H	71.7	Confident	66.9	Low	127 Å²	127	107.5 Å²	107.5	59%	0.588	62%	0.621	S	S	*	*	H	α-helix	trans	-75.3	-37.7	178.8	-154.4	80.6	0	0	0	111.7	P957 T958 A964 L965	P957-H961 HydrophobicContact CB-CB 4.32Å; T958-H961 PolarHBondContact O-N 3.09Å; T958-H961 PolarHBondContact OG1-N 3.19Å; H961-A964 PolarHBondContact O-N 3.37Å; H961-L965 WeakPolarHBondContact O-CB 3.47Å; H961-L965 PolarHBondContact O-N 3.43Å
962	A	72.5	Confident	69.3	Low	53 Å²	53	101.2 Å²	101.2	44%	0.438	60%	0.601	S	S	.	*	H	α-helix	trans	-63.9	-41.4	170.9	0	0	0	0	0	112	T958 T959 L965 A966	T958-A962 PolarHBondContact O-N 2.79Å; T959-A962 PolarHBondContact O-N 3.48Å; A962-L965 PolarHBondContact O-N 2.8Å; A962-A966 WeakPolarHBondContact O-CB 3.3Å; A962-A966 PolarHBondContact O-N 2.89Å
963	A	78.8	Confident	71.7	Confident	59 Å²	59	100.2 Å²	100.2	49%	0.488	60%	0.6	S	S	.	*	H	α-helix	trans	-65.6	-38.6	174.3	0	0	0	0	0	112.4	T959 A966 A967	T959-A963 VanDerWaalsContact O-CB 3.25Å; T959-A963 WeakPolarHBondContact O-CB 3.16Å; T959-A963 PolarHBondContact O-N 3.34Å; A963-A966 PolarHBondContact O-N 3.5Å; A963-A967 WeakPolarHBondContact O-CB 3.46Å; A963-A967 PolarHBondContact O-N 2.88Å
964	A	79.5	Confident	73.8	Confident	56 Å²	56	94 Å²	94	46%	0.463	58%	0.584	S	S	.	*	H	α-helix	trans	-64.1	-42.8	174.1	0	0	0	0	0	111.9	N960 H961 A967 A968	N960-A964 WeakPolarHBondContact O-CB 3.27Å; N960-A964 PolarHBondContact O-N 2.91Å; H961-A964 PolarHBondContact O-N 3.37Å; A964-A967 PolarHBondContact O-N 3.43Å; A964-A968 WeakPolarHBondContact O-CB 3.05Å; A964-A968 PolarHBondContact O-N 3.45Å
965	L	82	Confident	75.9	Confident	126 Å²	126	91 Å²	91	66%	0.66	56%	0.564	S	S	*	*	H	α-helix	trans	-63.1	-43.2	175.4	-165.4	77.2	0	0	0	111.6	H961 A962 A968 A969	H961-L965 WeakPolarHBondContact O-CB 3.47Å; H961-L965 PolarHBondContact O-N 3.43Å; A962-L965 PolarHBondContact O-N 2.8Å; L965-A968 PolarHBondContact O-N 2.92Å; L965-A969 WeakPolarHBondContact O-CB 3.43Å; L965-A969 PolarHBondContact O-N 3.46Å
966	A	83.7	Confident	77.7	Confident	61 Å²	61	90.3 Å²	90.3	50%	0.504	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-39.3	175.9	0	0	0	0	0	112.5	A962 A963 A969 A970	A962-A966 WeakPolarHBondContact O-CB 3.3Å; A962-A966 PolarHBondContact O-N 2.89Å; A963-A966 PolarHBondContact O-N 3.5Å; A966-A969 PolarHBondContact O-N 2.9Å; A966-A970 WeakPolarHBondContact O-CB 3.48Å; A966-A970 PolarHBondContact O-N 3.36Å
967	A	85.4	Confident	79.6	Confident	61 Å²	61	85.6 Å²	85.6	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-39.9	174.8	0	0	0	0	0	112.2	A963 A964 A970 A971	A963-A967 WeakPolarHBondContact O-CB 3.46Å; A963-A967 PolarHBondContact O-N 2.88Å; A964-A967 PolarHBondContact O-N 3.43Å; A967-A970 PolarHBondContact O-N 2.94Å; A967-A971 WeakPolarHBondContact O-CB 3.15Å; A967-A971 PolarHBondContact O-N 3.34Å
968	A	85.4	Confident	80.9	Confident	59 Å²	59	87 Å²	87	49%	0.488	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-42.8	174.3	0	0	0	0	0	111.9	A964 L965 A971 A972	A964-A968 WeakPolarHBondContact O-CB 3.05Å; A964-A968 PolarHBondContact O-N 3.45Å; L965-A968 PolarHBondContact O-N 2.92Å; A968-A971 PolarHBondContact O-N 3.4Å; A968-A972 PolarHBondContact O-N 3.39Å
969	A	87	Confident	81.7	Confident	57 Å²	57	85 Å²	85	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-43.6	174.6	0	0	0	0	0	112.1	L965 A966 A971 A972 V973	L965-A969 WeakPolarHBondContact O-CB 3.43Å; L965-A969 PolarHBondContact O-N 3.46Å; A966-A969 PolarHBondContact O-N 2.9Å; A969-A971 VanDerWaalsContact C-N 3.34Å; A969-A971 PolarHBondContact O-N 3.08Å; A969-A972 PolarHBondContact O-N 2.98Å; A969-V973 WeakPolarHBondContact O-CG2 3.34Å; A969-V973 PolarHBondContact O-N 2.82Å
970	A	86.9	Confident	82.8	Confident	61 Å²	61	82.7 Å²	82.7	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-39.3	175.4	0	0	0	0	0	112.3	A966 A967 V973 A974	A966-A970 WeakPolarHBondContact O-CB 3.48Å; A966-A970 PolarHBondContact O-N 3.36Å; A967-A970 PolarHBondContact O-N 2.94Å; A970-V973 PolarHBondContact O-N 3.33Å; A970-A974 WeakPolarHBondContact O-CB 3.32Å; A970-A974 PolarHBondContact O-N 2.91Å
971	A	85.8	Confident	83.2	Confident	60 Å²	60	79.5 Å²	79.5	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-40.8	174.3	0	0	0	0	0	112.2	A967 A968 A969 A974 F975	A967-A971 WeakPolarHBondContact O-CB 3.15Å; A967-A971 PolarHBondContact O-N 3.34Å; A968-A971 PolarHBondContact O-N 3.4Å; A969-A971 VanDerWaalsContact C-N 3.34Å; A969-A971 PolarHBondContact O-N 3.08Å; A971-A974 PolarHBondContact O-N 3.03Å; A971-F975 WeakPolarHBondContact O-CB 3.37Å; A971-F975 PolarHBondContact O-N 2.83Å
972	A	85.3	Confident	83.5	Confident	59 Å²	59	76.8 Å²	76.8	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-41.2	176	0	0	0	0	0	112.6	A968 A969 F975 H976	A968-A972 PolarHBondContact O-N 3.39Å; A969-A972 PolarHBondContact O-N 2.98Å; A972-F975 PolarHBondContact O-N 3.35Å; A972-H976 WeakPolarHBondContact O-CB 3.41Å; A972-H976 PolarHBondContact O-N 2.96Å
973	V	87.9	Confident	84	Confident	105 Å²	105	79 Å²	79	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-66.1	-42.3	174.9	172.4	0	0	0	0	111.4	A969 A970 F975 H976 H977	A969-V973 WeakPolarHBondContact O-CG2 3.34Å; A969-V973 PolarHBondContact O-N 2.82Å; A970-V973 PolarHBondContact O-N 3.33Å; V973-F975 VanDerWaalsContact C-N 3.35Å; V973-F975 PolarHBondContact O-N 3.2Å; V973-H976 PolarHBondContact O-N 2.84Å; V973-H977 WeakPolarHBondContact O-CB 3.4Å; V973-H977 PolarHBondContact O-N 2.69Å
974	A	85.5	Confident	84.2	Confident	61 Å²	61	81.9 Å²	81.9	50%	0.504	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-41.5	175.5	0	0	0	0	0	112.1	A970 A971 H977 E978	A970-A974 WeakPolarHBondContact O-CB 3.32Å; A970-A974 PolarHBondContact O-N 2.91Å; A971-A974 PolarHBondContact O-N 3.03Å; A974-H977 PolarHBondContact O-N 3.32Å; A974-E978 PolarHBondContact O-N 2.85Å
975	F	84.8	Confident	84	Confident	116 Å²	116	85.5 Å²	85.5	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-45.9	174.7	-178.4	-96.3	0	0	0	112	F205 A971 A972 V973 H977 E978 V979	F205-F975 AromaticContact CE1-CE2 3.88Å; F205-F975 HydrophobicContact CE1-CE2 3.88Å; F205-F975 AromaticContact CE1-CZ 3.88Å; F205-F975 HydrophobicContact CE1-CZ 3.88Å; A971-F975 WeakPolarHBondContact O-CB 3.37Å; A971-F975 PolarHBondContact O-N 2.83Å; A972-F975 PolarHBondContact O-N 3.35Å; V973-F975 VanDerWaalsContact C-N 3.35Å; V973-F975 PolarHBondContact O-N 3.2Å; F975-H977 VanDerWaalsContact C-N 3.31Å; F975-H977 PolarHBondContact O-N 3.39Å; F975-E978 PolarHBondContact O-N 2.94Å; F975-V979 HydrophobicContact CD1-CG2 4.23Å; F975-V979 HydrophobicContact CE1-CG2 3.88Å; F975-V979 HydrophobicContact CZ-CG2 4.09Å; F975-V979 WeakPolarHBondContact O-CG2 3.34Å; F975-V979 PolarHBondContact O-N 2.93Å
976	H	85	Confident	83.6	Confident	132 Å²	132	85.1 Å²	85.1	61%	0.611	50%	0.496	S	S	*	.	H	α-helix	trans	-61.7	-39.3	176.1	-169.5	-62	0	0	0	111.9	A972 V973 V979 V980	A972-H976 WeakPolarHBondContact O-CB 3.41Å; A972-H976 PolarHBondContact O-N 2.96Å; V973-H976 PolarHBondContact O-N 2.84Å; H976-V979 PolarHBondContact O-N 3.43Å; H976-V980 WeakPolarHBondContact O-CG2 3.46Å; H976-V980 PolarHBondContact O-N 3.18Å
977	H	86.2	Confident	83.5	Confident	128 Å²	128	88.4 Å²	88.4	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-64.3	-41.6	174	-175.3	-73.2	0	0	0	111.7	V973 A974 F975 V980 C981	V973-H977 WeakPolarHBondContact O-CB 3.4Å; V973-H977 PolarHBondContact O-N 2.69Å; A974-H977 PolarHBondContact O-N 3.32Å; F975-H977 VanDerWaalsContact C-N 3.31Å; F975-H977 PolarHBondContact O-N 3.39Å; H977-V980 PolarHBondContact O-N 2.9Å; H977-C981 PolarHBondContact CE1-SG 3.26Å; H977-C981 WeakPolarHBondContact O-CB 3.42Å; H977-C981 PolarHBondContact O-N 2.92Å; H977-C981 PolarHBondContact O-SG 2.85Å
978	E	79.5	Confident	83.2	Confident	115 Å²	115	89.7 Å²	89.7	54%	0.537	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-43.5	175.6	-166.9	179.9	161.5	0	0	111.9	A974 F975 C981 Q982	A974-E978 PolarHBondContact O-N 2.85Å; F975-E978 PolarHBondContact O-N 2.94Å; E978-C981 PolarHBondContact O-N 2.78Å; E978-Q982 WeakPolarHBondContact O-CG 3.37Å; E978-Q982 PolarHBondContact O-N 3.28Å; E978-Q982 PolarHBondContact OE1-NE2 3.44Å; E978-Q982 VanDerWaalsContact OE1-NE2 3.08Å
979	V	85.1	Confident	82.5	Confident	47 Å²	47	92.2 Å²	92.2	29%	0.285	49%	0.494	S	S	.	.	H	α-helix	trans	-61.1	-47.2	176.8	171.4	0	0	0	0	111.6	F975 H976 C981 Q982 Q983	F975-V979 HydrophobicContact CD1-CG2 4.23Å; F975-V979 HydrophobicContact CE1-CG2 3.88Å; F975-V979 HydrophobicContact CZ-CG2 4.09Å; F975-V979 WeakPolarHBondContact O-CG2 3.34Å; F975-V979 PolarHBondContact O-N 2.93Å; H976-V979 PolarHBondContact O-N 3.43Å; V979-C981 PolarHBondContact O-N 3.3Å; V979-Q982 PolarHBondContact O-N 3.11Å; V979-Q982 VanDerWaalsContact O-N 3.16Å; V979-Q983 WeakPolarHBondContact O-CG 3.33Å; V979-Q983 PolarHBondContact O-N 3.49Å
980	V	87	Confident	82	Confident	68 Å²	68	93.5 Å²	93.5	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-38.9	177.9	170.9	0	0	0	0	111.6	H976 H977 Q983 K984	H976-V980 WeakPolarHBondContact O-CG2 3.46Å; H976-V980 PolarHBondContact O-N 3.18Å; H977-V980 PolarHBondContact O-N 2.9Å; V980-Q983 PolarHBondContact O-N 3.02Å; V980-K984 PolarHBondContact O-N 2.99Å
981	C	82.8	Confident	81.8	Confident	59 Å²	59	95.9 Å²	95.9	40%	0.399	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-37.9	173	-72.7	0	0	0	0	112.8	H977 E978 V979 H985	H977-C981 PolarHBondContact CE1-SG 3.26Å; H977-C981 WeakPolarHBondContact O-CB 3.42Å; H977-C981 PolarHBondContact O-N 2.92Å; H977-C981 PolarHBondContact O-SG 2.85Å; E978-C981 PolarHBondContact O-N 2.78Å; V979-C981 PolarHBondContact O-N 3.3Å; C981-H985 PolarHBondContact O-N 3.22Å; C981-H985 VanDerWaalsContact O-N 3.14Å
982	Q	77.6	Confident	81.3	Confident	69 Å²	69	98.2 Å²	98.2	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-68.1	-39.3	175.7	-72.1	-176.3	33.8	0	0	111.9	E978 V979 H985 Q986	E978-Q982 WeakPolarHBondContact O-CG 3.37Å; E978-Q982 PolarHBondContact O-N 3.28Å; E978-Q982 PolarHBondContact OE1-NE2 3.44Å; E978-Q982 VanDerWaalsContact OE1-NE2 3.08Å; V979-Q982 PolarHBondContact O-N 3.11Å; V979-Q982 VanDerWaalsContact O-N 3.16Å; Q982-H985 PolarHBondContact O-N 3.35Å; Q982-Q986 WeakPolarHBondContact O-CG 3.29Å; Q982-Q986 PolarHBondContact O-N 3.46Å
983	Q	81.8	Confident	80.8	Confident	100 Å²	100	97.3 Å²	97.3	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-51.3	173.9	-74.3	173.3	-38.2	0	0	111.4	V979 V980 H985 Q986 E987	V979-Q983 WeakPolarHBondContact O-CG 3.33Å; V979-Q983 PolarHBondContact O-N 3.49Å; V980-Q983 PolarHBondContact O-N 3.02Å; Q983-H985 VanDerWaalsContact C-N 3.3Å; Q983-H985 PolarHBondContact O-N 3.39Å; Q983-Q986 WeakPolarHBondContact O-CA 3.33Å; Q983-Q986 WeakPolarHBondContact O-CB 3.27Å; Q983-Q986 PolarHBondContact O-N 3.31Å; Q983-E987 WeakPolarHBondContact O-CG 3.3Å; Q983-E987 PolarHBondContact O-N 2.93Å
984	K	83.3	Confident	80.5	Confident	119 Å²	119	96 Å²	96	52%	0.517	47%	0.471	S	S	.	.	H	α-helix	trans	-58.4	-39.2	178.2	-173	171.4	-174.2	-71.4	0	112.9	V980 E987 E988	V980-K984 PolarHBondContact O-N 2.99Å; K984-E987 PolarHBondContact O-N 2.8Å; K984-E988 IonicContact NZ-OE1 2.89Å; K984-E988 PolarHBondContact NZ-OE1 3.44Å; K984-E988 WeakPolarHBondContact O-CG 3.23Å; K984-E988 PolarHBondContact O-N 3.11Å
985	H	76.6	Confident	80.1	Confident	132 Å²	132	96.9 Å²	96.9	61%	0.611	47%	0.467	S	S	*	.	H	α-helix	trans	-69.7	-28.9	174.3	-97.6	-28.7	0	0	0	113.5	C981 Q982 Q983 E988 Y989	C981-H985 PolarHBondContact O-N 3.22Å; C981-H985 VanDerWaalsContact O-N 3.14Å; Q982-H985 PolarHBondContact O-N 3.35Å; Q983-H985 VanDerWaalsContact C-N 3.3Å; Q983-H985 PolarHBondContact O-N 3.39Å; H985-E988 IonicContact CE1-OE2 2.61Å; H985-E988 IonicContact CG-OE2 2.87Å; H985-E988 IonicContact ND1-OE2 3.54Å; H985-E988 PolarHBondContact ND1-OE2 3.42Å; H985-Y989 WeakPolarHBondContact O-CB 3.22Å; H985-Y989 PolarHBondContact O-N 3.21Å; H985-Y989 VanDerWaalsContact O-N 3.08Å
986	Q	73.4	Confident	79.6	Confident	118 Å²	118	94.8 Å²	94.8	55%	0.551	46%	0.46	S	S	*	.	H	α-helix	trans	-71	-38.4	171.5	-74.4	178.7	-6.6	0	0	111.9	Q982 Q983 Y989 T990	Q982-Q986 WeakPolarHBondContact O-CG 3.29Å; Q982-Q986 PolarHBondContact O-N 3.46Å; Q983-Q986 WeakPolarHBondContact O-CA 3.33Å; Q983-Q986 WeakPolarHBondContact O-CB 3.27Å; Q983-Q986 PolarHBondContact O-N 3.31Å; Q986-Y989 PolarHBondContact O-N 2.82Å; Q986-T990 VanDerWaalsContact O-CB 3.31Å; Q986-T990 WeakPolarHBondContact O-CB 3.44Å; Q986-T990 PolarHBondContact O-N 3.07Å; Q986-T990 PolarHBondContact O-OG1 3.5Å
987	E	80.8	Confident	79.3	Confident	131 Å²	131	92.8 Å²	92.8	61%	0.612	45%	0.45	S	S	*	.	H	α-helix	trans	-62.5	-51.9	174.2	-68.9	167.4	176	0	0	111.2	Q983 K984 Y989 T990 Q991	Q983-E987 WeakPolarHBondContact O-CG 3.3Å; Q983-E987 PolarHBondContact O-N 2.93Å; K984-E987 PolarHBondContact O-N 2.8Å; E987-Y989 VanDerWaalsContact C-N 3.31Å; E987-Y989 PolarHBondContact O-N 3.37Å; E987-T990 PolarHBondContact O-N 3.14Å; E987-T990 VanDerWaalsContact O-N 3.12Å; E987-Q991 PolarHBondContact O-N 3.24Å
988	E	80.2	Confident	78.8	Confident	87 Å²	87	91.1 Å²	91.1	41%	0.407	44%	0.442	S	S	.	.	H	α-helix	trans	-56.1	-43.3	175.6	-73.2	169.2	177.2	0	0	112.3	K984 H985 H992	K984-E988 IonicContact NZ-OE1 2.89Å; K984-E988 PolarHBondContact NZ-OE1 3.44Å; K984-E988 WeakPolarHBondContact O-CG 3.23Å; K984-E988 PolarHBondContact O-N 3.11Å; H985-E988 IonicContact CE1-OE2 2.61Å; H985-E988 IonicContact CG-OE2 2.87Å; H985-E988 IonicContact ND1-OE2 3.54Å; H985-E988 PolarHBondContact ND1-OE2 3.42Å; E988-H992 WeakPolarHBondContact O-CB 3.42Å; E988-H992 PolarHBondContact O-N 3.46Å; E988-H992 VanDerWaalsContact O-N 3.09Å
989	Y	70.8	Confident	78.5	Confident	113 Å²	113	90.3 Å²	90.3	44%	0.443	45%	0.445	S	S	.	.	H	α-helix	trans	-67.8	-35.9	177.7	-174.6	-111.7	0	0	0	112.6	H985 Q986 E987 I993	H985-Y989 WeakPolarHBondContact O-CB 3.22Å; H985-Y989 PolarHBondContact O-N 3.21Å; H985-Y989 VanDerWaalsContact O-N 3.08Å; Q986-Y989 PolarHBondContact O-N 2.82Å; E987-Y989 VanDerWaalsContact C-N 3.31Å; E987-Y989 PolarHBondContact O-N 3.37Å; Y989-I993 HydrophobicContact CD1-CD1 3.85Å; Y989-I993 HydrophobicContact CE1-CD1 3.44Å; Y989-I993 VanDerWaalsContact CE1-CD1 3.44Å; Y989-I993 HydrophobicContact CE1-CG1 4.48Å; Y989-I993 HydrophobicContact CE2-CD1 4.49Å; Y989-I993 WeakPolarHBondContact O-CG1 3.31Å; Y989-I993 PolarHBondContact O-N 2.99Å; Y989-I993 VanDerWaalsContact O-N 3.1Å
990	T	76.1	Confident	77.3	Confident	83 Å²	83	94 Å²	94	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-70.1	-43	177.8	-57.7	0	0	0	0	111.1	Q986 E987 I993 E994	Q986-T990 VanDerWaalsContact O-CB 3.31Å; Q986-T990 WeakPolarHBondContact O-CB 3.44Å; Q986-T990 PolarHBondContact O-N 3.07Å; Q986-T990 PolarHBondContact O-OG1 3.5Å; E987-T990 PolarHBondContact O-N 3.14Å; E987-T990 VanDerWaalsContact O-N 3.12Å; T990-I993 WeakPolarHBondContact O-CB 3.16Å; T990-I993 PolarHBondContact O-N 3.15Å; T990-E994 PolarHBondContact O-N 2.98Å
991	Q	82.3	Confident	76.7	Confident	111 Å²	111	96.9 Å²	96.9	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-60.1	-47.4	174.4	-175.5	60.5	50.8	0	0	111.2	E987 I993 E994 D995	E987-Q991 PolarHBondContact O-N 3.24Å; Q991-I993 VanDerWaalsContact C-N 3.25Å; Q991-I993 PolarHBondContact O-N 2.93Å; Q991-E994 WeakPolarHBondContact O-CA 3.41Å; Q991-E994 PolarHBondContact O-N 3.44Å; Q991-D995 PolarHBondContact NE2-OD1 3.43Å; Q991-D995 VanDerWaalsContact O-CG 3.25Å; Q991-D995 PolarHBondContact O-N 3.17Å
992	H	75.6	Confident	76.2	Confident	110 Å²	110	99.7 Å²	99.7	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-30.8	177.9	-178.7	-87.2	0	0	0	113	E988 I996	E988-H992 WeakPolarHBondContact O-CB 3.42Å; E988-H992 PolarHBondContact O-N 3.46Å; E988-H992 VanDerWaalsContact O-N 3.09Å; H992-I996 VanDerWaalsContact CE1-CD1 3.47Å; H992-I996 WeakPolarHBondContact CE1-CD1 3.45Å; H992-I996 VanDerWaalsContact O-CG1 3.31Å; H992-I996 WeakPolarHBondContact O-CG1 3.24Å; H992-I996 PolarHBondContact O-N 2.78Å
993	I	75.4	Confident	75.5	Confident	39 Å²	39	98.8 Å²	98.8	20%	0.2	47%	0.47	C	S	.	.	H	α-helix	trans	-67.9	-42.9	170.1	-77.2	167.7	0	0	0	111.3	L196 Y989 T990 Q991 I996 K997	L196-I993 HydrophobicContact CD2-CD1 3.57Å; L196-I993 HydrophobicContact CD2-CG1 4.28Å; Y989-I993 HydrophobicContact CD1-CD1 3.85Å; Y989-I993 HydrophobicContact CE1-CD1 3.44Å; Y989-I993 VanDerWaalsContact CE1-CD1 3.44Å; Y989-I993 HydrophobicContact CE1-CG1 4.48Å; Y989-I993 HydrophobicContact CE2-CD1 4.49Å; Y989-I993 WeakPolarHBondContact O-CG1 3.31Å; Y989-I993 PolarHBondContact O-N 2.99Å; Y989-I993 VanDerWaalsContact O-N 3.1Å; T990-I993 WeakPolarHBondContact O-CB 3.16Å; T990-I993 PolarHBondContact O-N 3.15Å; Q991-I993 VanDerWaalsContact C-N 3.25Å; Q991-I993 PolarHBondContact O-N 2.93Å; I993-I996 PolarHBondContact O-N 3.06Å; I993-K997 WeakPolarHBondContact O-CG 3.41Å; I993-K997 PolarHBondContact O-N 3.13Å
994	E	79.9	Confident	74.6	Confident	78 Å²	78	98.3 Å²	98.3	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-69.3	-38.4	-179.2	-151.6	60.9	-143.6	0	0	112	T990 Q991 I996 K997 Q998	T990-E994 PolarHBondContact O-N 2.98Å; Q991-E994 WeakPolarHBondContact O-CA 3.41Å; Q991-E994 PolarHBondContact O-N 3.44Å; E994-I996 VanDerWaalsContact C-N 3.32Å; E994-I996 PolarHBondContact O-N 3.15Å; E994-K997 WeakPolarHBondContact O-CB 3.46Å; E994-K997 PolarHBondContact O-N 3.48Å; E994-K997 VanDerWaalsContact O-N 3.13Å; E994-K997 WeakPolarHBondContact OE1-CD 3.34Å; E994-K997 IonicContact OE1-NZ 2.65Å; E994-K997 WeakPolarHBondContact OE2-CD 3.39Å; E994-K997 WeakPolarHBondContact OE2-CE 3.25Å; E994-K997 IonicContact OE2-NZ 3.98Å; E994-K997 PolarHBondContact OE2-NZ 2.91Å; E994-Q998 WeakPolarHBondContact O-CG 3.3Å; E994-Q998 PolarHBondContact O-N 2.7Å
995	D	78.9	Confident	74	Confident	79 Å²	79	95.7 Å²	95.7	42%	0.422	47%	0.465	S	S	.	.	H	α-helix	trans	-59.1	-43.3	172.3	-62.9	-23.5	0	0	0	111	Q991 Q998 V999	Q991-D995 PolarHBondContact NE2-OD1 3.43Å; Q991-D995 VanDerWaalsContact O-CG 3.25Å; Q991-D995 PolarHBondContact O-N 3.17Å; D995-Q998 PolarHBondContact O-N 3.38Å; D995-V999 WeakPolarHBondContact O-CG2 3.47Å; D995-V999 PolarHBondContact O-N 3.07Å
996	I	73.9	Confident	73.4	Confident	73 Å²	73	95.3 Å²	95.3	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-42.1	173.9	-75.6	171.7	0	0	0	111.5	H992 I993 E994 Q998 V999 Y1000	H992-I996 VanDerWaalsContact CE1-CD1 3.47Å; H992-I996 WeakPolarHBondContact CE1-CD1 3.45Å; H992-I996 VanDerWaalsContact O-CG1 3.31Å; H992-I996 WeakPolarHBondContact O-CG1 3.24Å; H992-I996 PolarHBondContact O-N 2.78Å; I993-I996 PolarHBondContact O-N 3.06Å; E994-I996 VanDerWaalsContact C-N 3.32Å; E994-I996 PolarHBondContact O-N 3.15Å; I996-Q998 VanDerWaalsContact C-N 3.33Å; I996-Q998 PolarHBondContact O-N 3.45Å; I996-V999 PolarHBondContact O-N 3Å; I996-Y1000 HydrophobicContact CG2-CD2 3.73Å; I996-Y1000 HydrophobicContact CG2-CE2 3.62Å; I996-Y1000 VanDerWaalsContact O-CD2 3.28Å; I996-Y1000 WeakPolarHBondContact O-CD2 3.3Å; I996-Y1000 PolarHBondContact O-N 2.97Å
997	K	77.1	Confident	73.1	Confident	90 Å²	90	94.1 Å²	94.1	39%	0.391	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-38.9	174.7	-68.7	174.3	-164	160.2	0	111.9	I993 E994 Y1000 K1001	I993-K997 WeakPolarHBondContact O-CG 3.41Å; I993-K997 PolarHBondContact O-N 3.13Å; E994-K997 WeakPolarHBondContact O-CB 3.46Å; E994-K997 PolarHBondContact O-N 3.48Å; E994-K997 VanDerWaalsContact O-N 3.13Å; E994-K997 WeakPolarHBondContact OE1-CD 3.34Å; E994-K997 IonicContact OE1-NZ 2.65Å; E994-K997 WeakPolarHBondContact OE2-CD 3.39Å; E994-K997 WeakPolarHBondContact OE2-CE 3.25Å; E994-K997 IonicContact OE2-NZ 3.98Å; E994-K997 PolarHBondContact OE2-NZ 2.91Å; K997-Y1000 PolarHBondContact O-N 2.98Å; K997-K1001 WeakPolarHBondContact O-CB 3.33Å; K997-K1001 PolarHBondContact O-N 3.31Å
998	Q	76.4	Confident	72.3	Confident	93 Å²	93	93.7 Å²	93.7	44%	0.435	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.9	-68.5	-69.4	-2.6	0	0	111.4	E994 D995 I996 K1001 Q1002	E994-Q998 WeakPolarHBondContact O-CG 3.3Å; E994-Q998 PolarHBondContact O-N 2.7Å; D995-Q998 PolarHBondContact O-N 3.38Å; I996-Q998 VanDerWaalsContact C-N 3.33Å; I996-Q998 PolarHBondContact O-N 3.45Å; Q998-K1001 PolarHBondContact O-N 3.47Å; Q998-Q1002 WeakPolarHBondContact O-CB 3.18Å; Q998-Q1002 WeakPolarHBondContact O-CG 3.02Å; Q998-Q1002 PolarHBondContact O-N 3.23Å
999	V	74	Confident	71.7	Confident	98 Å²	98	95.5 Å²	95.5	59%	0.594	47%	0.467	S	S	*	.	H	α-helix	trans	-61.4	-44.4	174.1	172.8	0	0	0	0	111.4	D995 I996 Q1002 S1003	D995-V999 WeakPolarHBondContact O-CG2 3.47Å; D995-V999 PolarHBondContact O-N 3.07Å; I996-V999 PolarHBondContact O-N 3Å; V999-Q1002 PolarHBondContact O-N 3.16Å; V999-S1003 PolarHBondContact O-N 3.32Å
1000	Y	59.2	Low	71.3	Confident	125 Å²	125	94.9 Å²	94.9	49%	0.49	47%	0.468	S	S	.	.	H	α-helix	trans	-60.4	-48	174	-83.9	-64.5	0	0	0	112	I996 K997 Q1002 S1003 D1004	I996-Y1000 HydrophobicContact CG2-CD2 3.73Å; I996-Y1000 HydrophobicContact CG2-CE2 3.62Å; I996-Y1000 VanDerWaalsContact O-CD2 3.28Å; I996-Y1000 WeakPolarHBondContact O-CD2 3.3Å; I996-Y1000 PolarHBondContact O-N 2.97Å; K997-Y1000 PolarHBondContact O-N 2.98Å; Y1000-Q1002 VanDerWaalsContact C-N 3.31Å; Y1000-Q1002 PolarHBondContact O-N 2.99Å; Y1000-S1003 CarbonylContact O-C 3.49Å; Y1000-S1003 WeakPolarHBondContact O-CA 3.46Å; Y1000-S1003 WeakPolarHBondContact O-CB 3.41Å; Y1000-S1003 PolarHBondContact O-N 3.06Å; Y1000-S1003 PolarHBondContact O-OG 2.89Å; Y1000-D1004 PolarHBondContact O-N 2.89Å
1001	K	74.3	Confident	70.5	Confident	127 Å²	127	95.1 Å²	95.1	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-61	-37.7	178.9	-170.5	176	-178.2	179.9	0	112.6	K997 Q998 V1005	K997-K1001 WeakPolarHBondContact O-CB 3.33Å; K997-K1001 PolarHBondContact O-N 3.31Å; Q998-K1001 PolarHBondContact O-N 3.47Å; K1001-V1005 VanDerWaalsContact O-CG2 3.32Å; K1001-V1005 WeakPolarHBondContact O-CG2 3.39Å; K1001-V1005 PolarHBondContact O-N 3.41Å; K1001-V1005 VanDerWaalsContact O-N 3.11Å
1002	Q	73.3	Confident	69.5	Low	118 Å²	118	94.5 Å²	94.5	55%	0.551	47%	0.466	S	S	*	.	H	α-helix	trans	-65.5	-39.8	171.6	-72.9	177.9	16.2	0	0	111.8	Q998 V999 Y1000 V1005 Q1006	Q998-Q1002 WeakPolarHBondContact O-CB 3.18Å; Q998-Q1002 WeakPolarHBondContact O-CG 3.02Å; Q998-Q1002 PolarHBondContact O-N 3.23Å; V999-Q1002 PolarHBondContact O-N 3.16Å; Y1000-Q1002 VanDerWaalsContact C-N 3.31Å; Y1000-Q1002 PolarHBondContact O-N 2.99Å; Q1002-V1005 PolarHBondContact O-N 3.26Å; Q1002-Q1006 WeakPolarHBondContact O-CG 3.4Å; Q1002-Q1006 PolarHBondContact O-N 3.04Å
1003	S	61.6	Low	68.8	Low	51 Å²	51	95.6 Å²	95.6	36%	0.357	47%	0.469	S	S	.	.	H	α-helix	trans	-67.7	-37.7	177.6	75.6	0	0	0	0	113	V999 Y1000 Q1006 L1007	V999-S1003 PolarHBondContact O-N 3.32Å; Y1000-S1003 CarbonylContact O-C 3.49Å; Y1000-S1003 WeakPolarHBondContact O-CA 3.46Å; Y1000-S1003 WeakPolarHBondContact O-CB 3.41Å; Y1000-S1003 PolarHBondContact O-N 3.06Å; Y1000-S1003 PolarHBondContact O-OG 2.89Å; S1003-Q1006 PolarHBondContact O-N 3.3Å; S1003-L1007 WeakPolarHBondContact O-CB 3.25Å; S1003-L1007 PolarHBondContact O-N 3.13Å
1004	D	63.5	Low	67.8	Low	89 Å²	89	97.7 Å²	97.7	48%	0.476	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-44	174.1	-72.4	-38	0	0	0	111	Y1000 Q1006 L1007 E1008	Y1000-D1004 PolarHBondContact O-N 2.89Å; D1004-Q1006 PolarHBondContact O-N 2.84Å; D1004-L1007 PolarHBondContact O-N 3.24Å; D1004-E1008 WeakPolarHBondContact O-CB 3.11Å; D1004-E1008 PolarHBondContact O-N 2.88Å
1005	V	71.3	Confident	66.6	Low	65 Å²	65	97.7 Å²	97.7	39%	0.394	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.7	169.6	0	0	0	0	111.9	K1001 Q1002 E1008 Q1009	K1001-V1005 VanDerWaalsContact O-CG2 3.32Å; K1001-V1005 WeakPolarHBondContact O-CG2 3.39Å; K1001-V1005 PolarHBondContact O-N 3.41Å; K1001-V1005 VanDerWaalsContact O-N 3.11Å; Q1002-V1005 PolarHBondContact O-N 3.26Å; V1005-E1008 PolarHBondContact O-N 2.91Å; V1005-Q1009 WeakPolarHBondContact O-CB 3.24Å; V1005-Q1009 VanDerWaalsContact O-CG 3.27Å; V1005-Q1009 WeakPolarHBondContact O-CG 3.37Å; V1005-Q1009 PolarHBondContact O-N 3.15Å
1006	Q	63.8	Low	65.2	Low	124 Å²	124	98.2 Å²	98.2	58%	0.579	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-38.2	173.6	-74.4	176.3	17.2	0	0	112.1	Q1002 S1003 D1004 Q1009 Q1010	Q1002-Q1006 WeakPolarHBondContact O-CG 3.4Å; Q1002-Q1006 PolarHBondContact O-N 3.04Å; S1003-Q1006 PolarHBondContact O-N 3.3Å; D1004-Q1006 PolarHBondContact O-N 2.84Å; Q1006-Q1009 PolarHBondContact O-N 3.15Å; Q1006-Q1010 PolarHBondContact O-N 2.88Å
1007	L	66.7	Low	64	Low	92 Å²	92	97.8 Å²	97.8	48%	0.482	49%	0.487	S	S	.	.	H	α-helix	trans	-68.6	-39.3	176.5	-168.8	70	0	0	0	111.5	S1003 D1004 Q1010 N1011	S1003-L1007 WeakPolarHBondContact O-CB 3.25Å; S1003-L1007 PolarHBondContact O-N 3.13Å; D1004-L1007 PolarHBondContact O-N 3.24Å; L1007-Q1010 PolarHBondContact O-N 3.13Å; L1007-N1011 WeakPolarHBondContact O-CB 3.04Å; L1007-N1011 VanDerWaalsContact O-CG 3.27Å; L1007-N1011 PolarHBondContact O-N 2.79Å; L1007-N1011 PolarHBondContact O-ND2 3.12Å
1008	E	63.7	Low	62.5	Low	123 Å²	123	97.5 Å²	97.5	58%	0.575	49%	0.493	S	S	*	.	H	α-helix	trans	-65.3	-41.9	174.4	-169.9	166.5	-133.2	0	0	111.6	D1004 V1005 N1011 L1012	D1004-E1008 WeakPolarHBondContact O-CB 3.11Å; D1004-E1008 PolarHBondContact O-N 2.88Å; V1005-E1008 PolarHBondContact O-N 2.91Å; E1008-N1011 PolarHBondContact O-N 3.36Å; E1008-L1012 HydrophobicContact CG-CD1 4.39Å; E1008-L1012 WeakPolarHBondContact O-CB 3.07Å; E1008-L1012 PolarHBondContact O-N 3.1Å
1009	Q	67.5	Low	60.9	Low	124 Å²	124	96.7 Å²	96.7	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-62.1	-41.6	171.4	-73.2	174.9	15.2	0	0	112.5	V1005 Q1006 L1012 F1013	V1005-Q1009 WeakPolarHBondContact O-CB 3.24Å; V1005-Q1009 VanDerWaalsContact O-CG 3.27Å; V1005-Q1009 WeakPolarHBondContact O-CG 3.37Å; V1005-Q1009 PolarHBondContact O-N 3.15Å; Q1006-Q1009 PolarHBondContact O-N 3.15Å; Q1009-L1012 PolarHBondContact O-N 2.69Å; Q1009-F1013 WeakPolarHBondContact O-CB 3.13Å; Q1009-F1013 PolarHBondContact O-N 3.4Å
1010	Q	62.3	Low	59.5	Low	101 Å²	101	97.1 Å²	97.1	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-40.4	172.3	-83.7	-167.6	-14.9	0	0	112.1	Q1006 L1007 F1013 N1014	Q1006-Q1010 PolarHBondContact O-N 2.88Å; L1007-Q1010 PolarHBondContact O-N 3.13Å; Q1010-F1013 PolarHBondContact O-N 3Å; Q1010-N1014 WeakPolarHBondContact O-CB 3.26Å; Q1010-N1014 VanDerWaalsContact O-CG 3.23Å; Q1010-N1014 PolarHBondContact O-N 2.87Å; Q1010-N1014 PolarHBondContact O-ND2 3.04Å; Q1010-N1014 VanDerWaalsContact O-ND2 3.08Å
1011	N	60.2	Low	58.6	Low	88 Å²	88	94.7 Å²	94.7	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-66	-41.5	177.5	-73.6	-38.3	0	0	0	111.9	L1007 E1008 N1014 T1015	L1007-N1011 WeakPolarHBondContact O-CB 3.04Å; L1007-N1011 VanDerWaalsContact O-CG 3.27Å; L1007-N1011 PolarHBondContact O-N 2.79Å; L1007-N1011 PolarHBondContact O-ND2 3.12Å; E1008-N1011 PolarHBondContact O-N 3.36Å; N1011-N1014 PolarHBondContact O-N 3.14Å; N1011-T1015 PolarHBondContact O-N 2.95Å; N1011-T1015 PolarHBondContact O-OG1 2.82Å; N1011-T1015 VanDerWaalsContact O-OG1 3.08Å
1012	L	61.6	Low	57	Low	97 Å²	97	92.1 Å²	92.1	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-41	171.5	-86.3	157	0	0	0	112.5	E1008 Q1009 T1015 N1016	E1008-L1012 HydrophobicContact CG-CD1 4.39Å; E1008-L1012 WeakPolarHBondContact O-CB 3.07Å; E1008-L1012 PolarHBondContact O-N 3.1Å; Q1009-L1012 PolarHBondContact O-N 2.69Å; L1012-T1015 WeakPolarHBondContact CA-OG1 3.45Å; L1012-T1015 PolarHBondContact O-OG1 3.15Å; L1012-T1015 VanDerWaalsContact O-OG1 3.13Å; L1012-N1016 VanDerWaalsContact O-CB 3.29Å; L1012-N1016 WeakPolarHBondContact O-CB 3.35Å; L1012-N1016 VanDerWaalsContact O-CG 3.22Å; L1012-N1016 PolarHBondContact O-N 3.48Å; L1012-N1016 PolarHBondContact O-ND2 2.86Å
1013	F	60.2	Low	55.3	Low	133 Å²	133	90 Å²	90	58%	0.583	48%	0.481	S	S	*	.	H	α-helix	trans	-65.4	-41.5	175.3	-167.4	-110.9	0	0	0	111.5	Q1009 Q1010 N1016 I1017	Q1009-F1013 WeakPolarHBondContact O-CB 3.13Å; Q1009-F1013 PolarHBondContact O-N 3.4Å; Q1010-F1013 PolarHBondContact O-N 3Å; F1013-N1016 PolarHBondContact O-N 2.91Å; F1013-I1017 HydrophobicContact CD1-CD1 3.71Å; F1013-I1017 HydrophobicContact CE1-CD1 3.42Å; F1013-I1017 VanDerWaalsContact CE1-CD1 3.42Å; F1013-I1017 HydrophobicContact CE1-CG1 4.44Å; F1013-I1017 HydrophobicContact CG-CD1 4.47Å; F1013-I1017 HydrophobicContact CZ-CD1 3.96Å; F1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; F1013-I1017 PolarHBondContact O-N 3.26Å
1014	N	53.8	Low	54.2	Low	83 Å²	83	91.3 Å²	91.3	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.6	-73.8	-35.6	0	0	0	113	Q1010 N1011 T1018	Q1010-N1014 WeakPolarHBondContact O-CB 3.26Å; Q1010-N1014 VanDerWaalsContact O-CG 3.23Å; Q1010-N1014 PolarHBondContact O-N 2.87Å; Q1010-N1014 PolarHBondContact O-ND2 3.04Å; Q1010-N1014 VanDerWaalsContact O-ND2 3.08Å; N1011-N1014 PolarHBondContact O-N 3.14Å; N1014-T1018 WeakPolarHBondContact O-CB 3.46Å; N1014-T1018 PolarHBondContact O-N 2.8Å; N1014-T1018 PolarHBondContact O-OG1 3.17Å
1015	T	56.1	Low	52.9	Low	78 Å²	78	91.7 Å²	91.7	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-70.5	-35.9	173.7	49	0	0	0	0	111.9	N1011 L1012 T1018 T1019	N1011-T1015 PolarHBondContact O-N 2.95Å; N1011-T1015 PolarHBondContact O-OG1 2.82Å; N1011-T1015 VanDerWaalsContact O-OG1 3.08Å; L1012-T1015 WeakPolarHBondContact CA-OG1 3.45Å; L1012-T1015 PolarHBondContact O-OG1 3.15Å; L1012-T1015 VanDerWaalsContact O-OG1 3.13Å; T1015-T1018 PolarHBondContact O-N 3.2Å; T1015-T1019 VanDerWaalsContact O-CB 3.31Å; T1015-T1019 WeakPolarHBondContact O-CB 3.41Å; T1015-T1019 PolarHBondContact O-N 3.41Å; T1015-T1019 PolarHBondContact O-OG1 3.04Å
1016	N	47.9	Very low	51.1	Low	90 Å²	90	94 Å²	94	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-46.8	171.9	-76.2	-25	0	0	0	111.9	L1012 F1013 T1018 T1019 I1020	L1012-N1016 VanDerWaalsContact O-CB 3.29Å; L1012-N1016 WeakPolarHBondContact O-CB 3.35Å; L1012-N1016 VanDerWaalsContact O-CG 3.22Å; L1012-N1016 PolarHBondContact O-N 3.48Å; L1012-N1016 PolarHBondContact O-ND2 2.86Å; F1013-N1016 PolarHBondContact O-N 2.91Å; N1016-T1018 VanDerWaalsContact C-N 3.32Å; N1016-T1018 PolarHBondContact O-N 3.13Å; N1016-T1019 PolarHBondContact O-N 3.13Å; N1016-T1019 VanDerWaalsContact O-N 3.17Å; N1016-I1020 WeakPolarHBondContact O-CB 3.41Å; N1016-I1020 VanDerWaalsContact O-CG1 3.29Å; N1016-I1020 WeakPolarHBondContact O-CG1 3.31Å; N1016-I1020 PolarHBondContact O-N 3.48Å
1017	I	49.9	Very low	49.6	Very low	65 Å²	65	93 Å²	93	33%	0.333	51%	0.509	S	S	.	.	H	α-helix	trans	-58.4	-44.3	172.4	-74.3	172.6	0	0	0	111	F1013 T1019 I1020 T1021	F1013-I1017 HydrophobicContact CD1-CD1 3.71Å; F1013-I1017 HydrophobicContact CE1-CD1 3.42Å; F1013-I1017 VanDerWaalsContact CE1-CD1 3.42Å; F1013-I1017 HydrophobicContact CE1-CG1 4.44Å; F1013-I1017 HydrophobicContact CG-CD1 4.47Å; F1013-I1017 HydrophobicContact CZ-CD1 3.96Å; F1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; F1013-I1017 PolarHBondContact O-N 3.26Å; I1017-T1019 VanDerWaalsContact C-N 3.29Å; I1017-T1019 PolarHBondContact O-N 3.22Å; I1017-I1020 PolarHBondContact O-N 2.86Å; I1017-T1021 WeakPolarHBondContact O-CB 3.39Å; I1017-T1021 PolarHBondContact O-N 2.74Å; I1017-T1021 PolarHBondContact O-OG1 3.23Å
1018	T	44.7	Very low	47.9	Very low	83 Å²	83	93.4 Å²	93.4	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-38.9	178	-57	0	0	0	0	111.2	N1014 T1015 N1016 T1021 T1022	N1014-T1018 WeakPolarHBondContact O-CB 3.46Å; N1014-T1018 PolarHBondContact O-N 2.8Å; N1014-T1018 PolarHBondContact O-OG1 3.17Å; T1015-T1018 PolarHBondContact O-N 3.2Å; N1016-T1018 VanDerWaalsContact C-N 3.32Å; N1016-T1018 PolarHBondContact O-N 3.13Å; T1018-T1021 PolarHBondContact O-N 2.88Å; T1018-T1022 WeakPolarHBondContact O-CG2 3.25Å; T1018-T1022 PolarHBondContact O-N 3.11Å; T1018-T1022 PolarHBondContact O-OG1 3.45Å; T1018-T1022 VanDerWaalsContact O-OG1 3.09Å
1019	T	43	Very low	46.3	Very low	76 Å²	76	95.5 Å²	95.5	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-72.7	-38.4	180	-56.1	0	0	0	0	112.1	T1015 N1016 I1017 T1021 T1022 T1023	T1015-T1019 VanDerWaalsContact O-CB 3.31Å; T1015-T1019 WeakPolarHBondContact O-CB 3.41Å; T1015-T1019 PolarHBondContact O-N 3.41Å; T1015-T1019 PolarHBondContact O-OG1 3.04Å; N1016-T1019 PolarHBondContact O-N 3.13Å; N1016-T1019 VanDerWaalsContact O-N 3.17Å; I1017-T1019 VanDerWaalsContact C-N 3.29Å; I1017-T1019 PolarHBondContact O-N 3.22Å; T1019-T1021 VanDerWaalsContact C-N 3.32Å; T1019-T1022 WeakPolarHBondContact CA-OG1 3.06Å; T1019-T1022 PolarHBondContact O-N 3.49Å; T1019-T1022 PolarHBondContact O-OG1 3.4Å; T1019-T1023 WeakPolarHBondContact O-CB 2.95Å; T1019-T1023 WeakPolarHBondContact O-CG2 3.43Å; T1019-T1023 PolarHBondContact O-N 2.95Å; T1019-T1023 PolarHBondContact O-OG1 3.38Å
1020	I	44.3	Very low	44.7	Very low	107 Å²	107	95.2 Å²	95.2	55%	0.549	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-38.5	171.8	-67.4	163.2	0	0	0	110.2	N1016 I1017 T1023 T1024	N1016-I1020 WeakPolarHBondContact O-CB 3.41Å; N1016-I1020 VanDerWaalsContact O-CG1 3.29Å; N1016-I1020 WeakPolarHBondContact O-CG1 3.31Å; N1016-I1020 PolarHBondContact O-N 3.48Å; I1017-I1020 PolarHBondContact O-N 2.86Å; I1020-T1023 WeakPolarHBondContact CA-OG1 3.48Å; I1020-T1023 PolarHBondContact O-OG1 2.88Å; I1020-T1024 WeakPolarHBondContact O-CB 3.47Å; I1020-T1024 WeakPolarHBondContact O-CG2 3.29Å; I1020-T1024 PolarHBondContact O-N 2.74Å; I1020-T1024 PolarHBondContact O-OG1 2.79Å
1021	T	41	Very low	43.2	Very low	75 Å²	75	97.3 Å²	97.3	46%	0.46	55%	0.551	S	S	.	*	H	α-helix	trans	-69.7	-41	177.3	-52.1	0	0	0	0	111.6	I1017 T1018 T1019 T1024 T1025	I1017-T1021 WeakPolarHBondContact O-CB 3.39Å; I1017-T1021 PolarHBondContact O-N 2.74Å; I1017-T1021 PolarHBondContact O-OG1 3.23Å; T1018-T1021 PolarHBondContact O-N 2.88Å; T1019-T1021 VanDerWaalsContact C-N 3.32Å; T1021-T1024 WeakPolarHBondContact CA-OG1 3.33Å; T1021-T1024 PolarHBondContact O-OG1 3.32Å; T1021-T1024 VanDerWaalsContact O-OG1 3.11Å; T1021-T1025 WeakPolarHBondContact O-CG2 3.27Å; T1021-T1025 PolarHBondContact O-N 2.98Å; T1021-T1025 VanDerWaalsContact O-N 3.17Å; T1021-T1025 PolarHBondContact O-OG1 2.99Å
1022	T	40.1	Very low	41.6	Very low	73 Å²	73	98.7 Å²	98.7	45%	0.448	57%	0.567	S	S	.	*	H	α-helix	trans	-72.3	-41.2	177.3	50.7	0	0	0	0	112.3	T1018 T1019 T1024 T1025 T1026	T1018-T1022 WeakPolarHBondContact O-CG2 3.25Å; T1018-T1022 PolarHBondContact O-N 3.11Å; T1018-T1022 PolarHBondContact O-OG1 3.45Å; T1018-T1022 VanDerWaalsContact O-OG1 3.09Å; T1019-T1022 WeakPolarHBondContact CA-OG1 3.06Å; T1019-T1022 PolarHBondContact O-N 3.49Å; T1019-T1022 PolarHBondContact O-OG1 3.4Å; T1022-T1024 PolarHBondContact O-N 2.73Å; T1022-T1025 WeakPolarHBondContact CA-OG1 3.37Å; T1022-T1025 PolarHBondContact O-N 2.91Å; T1022-T1025 VanDerWaalsContact O-N 3.14Å; T1022-T1025 PolarHBondContact O-OG1 2.88Å; T1022-T1026 PolarHBondContact O-N 3.32Å; T1022-T1026 PolarHBondContact O-OG1 3.05Å
1023	T	39	Very low	40.2	Very low	73 Å²	73	100.8 Å²	100.8	45%	0.448	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-39.8	176.3	48.1	0	0	0	0	112.3	T1019 I1020 T1025 T1026 T1027	T1019-T1023 WeakPolarHBondContact O-CB 2.95Å; T1019-T1023 WeakPolarHBondContact O-CG2 3.43Å; T1019-T1023 PolarHBondContact O-N 2.95Å; T1019-T1023 PolarHBondContact O-OG1 3.38Å; I1020-T1023 WeakPolarHBondContact CA-OG1 3.48Å; I1020-T1023 PolarHBondContact O-OG1 2.88Å; T1023-T1025 VanDerWaalsContact C-N 3.31Å; T1023-T1025 PolarHBondContact O-N 3.13Å; T1023-T1026 WeakPolarHBondContact CA-OG1 3.42Å; T1023-T1026 PolarHBondContact O-N 3.33Å; T1023-T1026 VanDerWaalsContact O-N 3.08Å; T1023-T1026 PolarHBondContact O-OG1 3.02Å; T1023-T1027 PolarHBondContact O-OG1 3.46Å
1024	T	37.5	Very low	38.9	Very low	78 Å²	78	102.4 Å²	102.4	48%	0.479	59%	0.59	S	S	.	*	H	α-helix	trans	-67.5	-26.8	173.6	47.6	0	0	0	0	113.4	I1020 T1021 T1022 T1026 T1027	I1020-T1024 WeakPolarHBondContact O-CB 3.47Å; I1020-T1024 WeakPolarHBondContact O-CG2 3.29Å; I1020-T1024 PolarHBondContact O-N 2.74Å; I1020-T1024 PolarHBondContact O-OG1 2.79Å; T1021-T1024 WeakPolarHBondContact CA-OG1 3.33Å; T1021-T1024 PolarHBondContact O-OG1 3.32Å; T1021-T1024 VanDerWaalsContact O-OG1 3.11Å; T1022-T1024 PolarHBondContact O-N 2.73Å; T1024-T1026 VanDerWaalsContact C-N 3.32Å; T1024-T1027 PolarHBondContact O-OG1 2.96Å
1025	T	35.9	Very low	37.8	Very low	97 Å²	97	105.5 Å²	105.5	60%	0.595	61%	0.607	S	S	*	*	H	α-helix	trans	-78.6	-7.8	169.7	56	0	0	0	0	115.1	T1021 T1022 T1023	T1021-T1025 WeakPolarHBondContact O-CG2 3.27Å; T1021-T1025 PolarHBondContact O-N 2.98Å; T1021-T1025 VanDerWaalsContact O-N 3.17Å; T1021-T1025 PolarHBondContact O-OG1 2.99Å; T1022-T1025 WeakPolarHBondContact CA-OG1 3.37Å; T1022-T1025 PolarHBondContact O-N 2.91Å; T1022-T1025 VanDerWaalsContact O-N 3.14Å; T1022-T1025 PolarHBondContact O-OG1 2.88Å; T1023-T1025 VanDerWaalsContact C-N 3.31Å; T1023-T1025 PolarHBondContact O-N 3.13Å
1026	T	34	Very low	36.7	Very low	113 Å²	113	107.8 Å²	107.8	69%	0.693	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	8.7	178.2	51.4	0	0	0	0	114.2	T1022 T1023 T1024	T1022-T1026 PolarHBondContact O-N 3.32Å; T1022-T1026 PolarHBondContact O-OG1 3.05Å; T1023-T1026 WeakPolarHBondContact CA-OG1 3.42Å; T1023-T1026 PolarHBondContact O-N 3.33Å; T1023-T1026 VanDerWaalsContact O-N 3.08Å; T1023-T1026 PolarHBondContact O-OG1 3.02Å; T1024-T1026 VanDerWaalsContact C-N 3.32Å
1027	T	32	Very low	36.1	Very low	103 Å²	103	109.6 Å²	109.6	63%	0.632	63%	0.626	S	S	*	*	S	Bend	trans	-124.1	15.1	-178.7	53.7	0	0	0	0	113.8	T1023 T1024	T1023-T1027 PolarHBondContact O-OG1 3.46Å; T1024-T1027 PolarHBondContact O-OG1 2.96Å
1028	T	32.2	Very low	35.5	Very low	101 Å²	101	114.1 Å²	114.1	62%	0.62	65%	0.645	S	S	*	*			trans	-110.5	31.3	-173.8	53.8	0	0	0	0	114.6	T1030	T1028-T1030 VanDerWaalsContact C-N 3.29Å
1029	D	29.9	Very low	35.2	Very low	167 Å²	167	115.5 Å²	115.5	89%	0.893	65%	0.649	S	S	*	*	S	Bend	trans	-97	37.7	165	-83.3	-43.5	0	0	0	111.4
1030	T	32.5	Very low	34.8	Very low	118 Å²	118	117.1 Å²	117.1	72%	0.724	65%	0.654	S	S	*	*	S	Bend	trans	-165.7	173.3	168.4	-2.9	0	0	0	0	109.5	T1028	T1028-T1030 VanDerWaalsContact C-N 3.29Å
1031	I	30.5	Very low	34.3	Very low	146 Å²	146	116.5 Å²	116.5	75%	0.749	65%	0.652	S	S	*	*			trans	67.7	51.3	179.6	-36.3	-179.8	0	0	0	113.9	N1033	I1031-N1033 PolarHBondContact O-N 3.32Å
1032	S	28.3	Very low	34	Very low	117 Å²	117	116.7 Å²	116.7	82%	0.818	66%	0.656	S	S	*	*			trans	-73.8	52.7	162.9	46.5	0	0	0	0	112.8
1033	N	31.7	Very low	33.6	Very low	140 Å²	140	119.4 Å²	119.4	75%	0.749	67%	0.665	S	S	*	*			trans	-173.1	96.4	167	-103.5	-33.6	0	0	0	112.9	I1031	I1031-N1033 PolarHBondContact O-N 3.32Å
1034	M	33	Very low	33.5	Very low	168 Å²	168	122 Å²	122	83%	0.828	67%	0.67	S	S	*	*			trans	-168.4	121.1	138.5	-115.4	167.8	-83.3	0	0	111.9
1035	N	29.9	Very low	33.3	Very low	147 Å²	147	122.9 Å²	122.9	79%	0.786	67%	0.672	S	S	*	*			trans	-90.3	107.8	-176.6	-176.2	10	0	0	0	110.3
1036	N	34.2	Very low	33.2	Very low	127 Å²	127	120 Å²	120	68%	0.679	66%	0.662	S	S	*	*			trans	-146.9	101.5	-179.5	-103.1	-41.4	0	0	0	112.7	H1038	N1036-H1038 PolarHBondContact O-N 3.31Å
1037	N	35.5	Very low	33.2	Very low	128 Å²	128	119.8 Å²	119.8	68%	0.684	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	1.7	-177.5	-76.9	-40.6	0	0	0	115.5
1038	H	37.4	Very low	33.2	Very low	159 Å²	159	119.6 Å²	119.6	74%	0.736	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-24.5	-169.1	-121.6	-58.8	0	0	0	115	N1036	N1036-H1038 PolarHBondContact O-N 3.31Å
1039	N	37.2	Very low	33.2	Very low	112 Å²	112	120.3 Å²	120.3	60%	0.599	65%	0.648	S	S	*	*	H	α-helix	trans	-82	-23.1	-171.2	-127.6	-5.1	0	0	0	114	N1041 S1042 M1043	N1039-N1041 VanDerWaalsContact C-N 3.32Å; N1039-N1041 PolarHBondContact O-N 3.04Å; N1039-S1042 PolarHBondContact O-N 3.47Å; N1039-M1043 PolarHBondContact O-N 2.97Å
1040	I	35.6	Very low	33.3	Very low	111 Å²	111	116 Å²	116	57%	0.569	63%	0.625	S	S	*	*	H	α-helix	trans	-70.9	-27.7	-175.5	-66.2	171.2	0	0	0	112.1	K1044	I1040-K1044 PolarHBondContact O-N 2.86Å
1041	N	33.8	Very low	33.2	Very low	94 Å²	94	115.8 Å²	115.8	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-76.7	-41.3	176.2	-67.7	-23.4	0	0	0	111.5	N1039 M1043 K1044 D1045	N1039-N1041 VanDerWaalsContact C-N 3.32Å; N1039-N1041 PolarHBondContact O-N 3.04Å; N1041-M1043 PolarHBondContact O-N 2.86Å; N1041-K1044 WeakPolarHBondContact O-CA 3.27Å; N1041-K1044 WeakPolarHBondContact O-CB 3.44Å; N1041-K1044 PolarHBondContact O-N 3.42Å; N1041-D1045 PolarHBondContact O-N 3.16Å
1042	S	33.4	Very low	33.3	Very low	78 Å²	78	114.7 Å²	114.7	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-57.6	-34.8	175.8	-167.1	0	0	0	0	112.7	N1039 D1045 G1046	N1039-S1042 PolarHBondContact O-N 3.47Å; S1042-D1045 PolarHBondContact O-N 3.11Å; S1042-G1046 PolarHBondContact O-N 2.9Å; S1042-G1046 VanDerWaalsContact O-N 3.15Å
1043	M	32	Very low	33.4	Very low	130 Å²	130	111.6 Å²	111.6	64%	0.64	59%	0.585	S	S	*	*	H	α-helix	trans	-71.8	-26.6	174.3	-69.9	-179	173.8	0	0	113.5	N1039 N1041 L1047	N1039-M1043 PolarHBondContact O-N 2.97Å; N1041-M1043 PolarHBondContact O-N 2.86Å; M1043-L1047 WeakPolarHBondContact O-CD1 3.1Å; M1043-L1047 WeakPolarHBondContact O-CG 3.49Å; M1043-L1047 PolarHBondContact O-N 3.37Å
1044	K	36.5	Very low	33.5	Very low	127 Å²	127	109.7 Å²	109.7	55%	0.552	57%	0.574	S	S	*	*	H	α-helix	trans	-72	-39.6	170.8	-84.5	176.7	172.7	173.4	0	112	I1040 N1041 L1047 N1048	I1040-K1044 PolarHBondContact O-N 2.86Å; N1041-K1044 WeakPolarHBondContact O-CA 3.27Å; N1041-K1044 WeakPolarHBondContact O-CB 3.44Å; N1041-K1044 PolarHBondContact O-N 3.42Å; K1044-L1047 PolarHBondContact O-N 2.66Å; K1044-L1047 VanDerWaalsContact O-N 3.13Å; K1044-N1048 PolarHBondContact O-N 2.99Å; K1044-N1048 PolarHBondContact O-ND2 3.28Å
1045	D	34.8	Very low	33.5	Very low	98 Å²	98	105 Å²	105	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-67.6	-38.6	179.5	-60.4	-37.8	0	0	0	111.1	N1041 S1042 L1047 N1048 M1049	N1041-D1045 PolarHBondContact O-N 3.16Å; S1042-D1045 PolarHBondContact O-N 3.11Å; D1045-L1047 VanDerWaalsContact C-N 3.32Å; D1045-L1047 PolarHBondContact O-N 3Å; D1045-N1048 PolarHBondContact O-N 3.21Å; D1045-M1049 WeakPolarHBondContact O-CG 3.38Å; D1045-M1049 PolarHBondContact O-N 3Å; D1045-M1049 VanDerWaalsContact O-N 3.1Å
1046	G	33.5	Very low	33.7	Very low	36 Å²	36	101.8 Å²	101.8	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-59.7	-36.9	168.6	0	0	0	0	0	113.9	S1042 M1049 I1050	S1042-G1046 PolarHBondContact O-N 2.9Å; S1042-G1046 VanDerWaalsContact O-N 3.15Å; G1046-M1049 PolarHBondContact O-N 2.71Å; G1046-I1050 WeakPolarHBondContact O-CG1 3.32Å; G1046-I1050 PolarHBondContact O-N 2.83Å
1047	L	33.1	Very low	33.4	Very low	109 Å²	109	99.6 Å²	99.6	57%	0.571	53%	0.531	S	S	*	.	H	α-helix	trans	-72.6	-31.1	175.3	-75	166.5	0	0	0	113	M1043 K1044 D1045 I1050 Q1051	M1043-L1047 WeakPolarHBondContact O-CD1 3.1Å; M1043-L1047 WeakPolarHBondContact O-CG 3.49Å; M1043-L1047 PolarHBondContact O-N 3.37Å; K1044-L1047 PolarHBondContact O-N 2.66Å; K1044-L1047 VanDerWaalsContact O-N 3.13Å; D1045-L1047 VanDerWaalsContact C-N 3.32Å; D1045-L1047 PolarHBondContact O-N 3Å; L1047-I1050 HydrophobicContact CD2-CD1 4.41Å; L1047-I1050 PolarHBondContact O-N 2.8Å; L1047-Q1051 PolarHBondContact O-N 3.11Å
1048	N	33.2	Very low	33.2	Very low	98 Å²	98	98.8 Å²	98.8	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-67.3	-39.5	172.7	-72.5	-31.8	0	0	0	111.6	K1044 D1045 I1050 Q1051 E1052	K1044-N1048 PolarHBondContact O-N 2.99Å; K1044-N1048 PolarHBondContact O-ND2 3.28Å; D1045-N1048 PolarHBondContact O-N 3.21Å; N1048-I1050 VanDerWaalsContact C-N 3.28Å; N1048-I1050 PolarHBondContact O-N 3.11Å; N1048-Q1051 WeakPolarHBondContact O-CA 3.21Å; N1048-Q1051 WeakPolarHBondContact O-CB 3.16Å; N1048-Q1051 PolarHBondContact O-N 2.72Å; N1048-E1052 PolarHBondContact O-N 3.44Å
1049	M	30.7	Very low	33.1	Very low	116 Å²	116	96.6 Å²	96.6	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-62.8	-34.2	174.2	-64.1	-93.9	70.7	0	0	112.5	D1045 G1046 E1052 S1053	D1045-M1049 WeakPolarHBondContact O-CG 3.38Å; D1045-M1049 PolarHBondContact O-N 3Å; D1045-M1049 VanDerWaalsContact O-N 3.1Å; G1046-M1049 PolarHBondContact O-N 2.71Å; M1049-E1052 WeakPolarHBondContact CE-OE2 3.48Å; M1049-S1053 PolarHBondContact O-N 2.82Å; M1049-S1053 VanDerWaalsContact O-N 3.13Å; M1049-S1053 PolarHBondContact O-OG 3.04Å
1050	I	31.6	Very low	32.7	Very low	78 Å²	78	99.7 Å²	99.7	40%	0.4	53%	0.528	S	S	.	.	H	α-helix	trans	-68.8	-35.6	171.6	-67.2	165.7	0	0	0	110.8	G1046 L1047 N1048 E1052 S1053 I1054	G1046-I1050 WeakPolarHBondContact O-CG1 3.32Å; G1046-I1050 PolarHBondContact O-N 2.83Å; L1047-I1050 HydrophobicContact CD2-CD1 4.41Å; L1047-I1050 PolarHBondContact O-N 2.8Å; N1048-I1050 VanDerWaalsContact C-N 3.28Å; N1048-I1050 PolarHBondContact O-N 3.11Å; I1050-E1052 PolarHBondContact O-N 2.79Å; I1050-S1053 WeakPolarHBondContact CA-OG 3.41Å; I1050-S1053 PolarHBondContact O-OG 3.38Å; I1050-I1054 HydrophobicContact CG2-CD1 3.93Å; I1050-I1054 WeakPolarHBondContact O-CD1 3.41Å; I1050-I1054 VanDerWaalsContact O-CG1 3.27Å; I1050-I1054 WeakPolarHBondContact O-CG1 2.89Å; I1050-I1054 PolarHBondContact O-N 2.75Å
1051	Q	31.4	Very low	32.4	Very low	113 Å²	113	101.6 Å²	101.6	53%	0.528	54%	0.539	S	S	.	.	H	α-helix	trans	-67.5	-33	177.6	-169.2	60.1	83.1	0	0	112.9	L1047 N1048 N1055	L1047-Q1051 PolarHBondContact O-N 3.11Å; N1048-Q1051 WeakPolarHBondContact O-CA 3.21Å; N1048-Q1051 WeakPolarHBondContact O-CB 3.16Å; N1048-Q1051 PolarHBondContact O-N 2.72Å; Q1051-N1055 PolarHBondContact O-ND2 2.82Å
1052	E	32	Very low	32.2	Very low	123 Å²	123	102.1 Å²	102.1	58%	0.575	54%	0.541	S	S	*	.	H	α-helix	trans	-77.4	-40.1	175.3	-68	-174	147.6	0	0	113	N1048 M1049 I1050 I1054 N1055 T1056	N1048-E1052 PolarHBondContact O-N 3.44Å; M1049-E1052 WeakPolarHBondContact CE-OE2 3.48Å; I1050-E1052 PolarHBondContact O-N 2.79Å; E1052-I1054 PolarHBondContact O-N 3.27Å; E1052-N1055 WeakPolarHBondContact O-CA 3.47Å; E1052-N1055 WeakPolarHBondContact O-CB 3.46Å; E1052-N1055 PolarHBondContact O-N 3.36Å; E1052-T1056 PolarHBondContact O-N 3.22Å
1053	S	31.7	Very low	31.9	Very low	51 Å²	51	104.9 Å²	104.9	36%	0.357	55%	0.548	S	S	.	.	H	α-helix	trans	-72.8	-5.9	175.9	50.6	0	0	0	0	114.5	M1049 I1050 T1056	M1049-S1053 PolarHBondContact O-N 2.82Å; M1049-S1053 VanDerWaalsContact O-N 3.13Å; M1049-S1053 PolarHBondContact O-OG 3.04Å; I1050-S1053 WeakPolarHBondContact CA-OG 3.41Å; I1050-S1053 PolarHBondContact O-OG 3.38Å; S1053-T1056 PolarHBondContact O-OG1 3.24Å; S1053-T1056 VanDerWaalsContact O-OG1 3.09Å
1054	I	32.8	Very low	31.8	Very low	100 Å²	100	103 Å²	103	51%	0.513	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-17	165	-71.3	167.7	0	0	0	112	I1050 E1052	I1050-I1054 HydrophobicContact CG2-CD1 3.93Å; I1050-I1054 WeakPolarHBondContact O-CD1 3.41Å; I1050-I1054 VanDerWaalsContact O-CG1 3.27Å; I1050-I1054 WeakPolarHBondContact O-CG1 2.89Å; I1050-I1054 PolarHBondContact O-N 2.75Å; E1052-I1054 PolarHBondContact O-N 3.27Å
1055	N	33.5	Very low	31.5	Very low	71 Å²	71	103 Å²	103	38%	0.38	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-19.4	176.9	-64.3	-32.5	0	0	0	113.2	Q1051 E1052 L1058 N1059	Q1051-N1055 PolarHBondContact O-ND2 2.82Å; E1052-N1055 WeakPolarHBondContact O-CA 3.47Å; E1052-N1055 WeakPolarHBondContact O-CB 3.46Å; E1052-N1055 PolarHBondContact O-N 3.36Å; N1055-L1058 WeakPolarHBondContact O-CB 3.4Å; N1055-L1058 PolarHBondContact O-N 3.17Å; N1055-N1059 PolarHBondContact O-N 3.04Å
1056	T	33.6	Very low	31.1	Very low	78 Å²	78	105.3 Å²	105.3	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-58.5	-37.4	-179.7	40.2	0	0	0	0	114.3	E1052 S1053 L1058 N1059	E1052-T1056 PolarHBondContact O-N 3.22Å; S1053-T1056 PolarHBondContact O-OG1 3.24Å; S1053-T1056 VanDerWaalsContact O-OG1 3.09Å; T1056-L1058 VanDerWaalsContact C-N 3.27Å; T1056-L1058 PolarHBondContact O-N 3.1Å; T1056-N1059 PolarHBondContact O-N 3.29Å
1057	P	28.9	Very low	31	Very low	81 Å²	81	111.5 Å²	111.5	53%	0.526	59%	0.586	S	S	.	*	H	α-helix	trans	-71.1	-18.5	173.2	-17.8	33.4	0	0	0	114
1058	L	31.1	Very low	30.7	Very low	112 Å²	112	113.6 Å²	113.6	59%	0.586	60%	0.598	S	S	*	*	H	α-helix	trans	-80.4	-32.1	176.5	-94.8	70	0	0	0	112.1	N1055 T1056 F1060 L1061	N1055-L1058 WeakPolarHBondContact O-CB 3.4Å; N1055-L1058 PolarHBondContact O-N 3.17Å; T1056-L1058 VanDerWaalsContact C-N 3.27Å; T1056-L1058 PolarHBondContact O-N 3.1Å; L1058-F1060 VanDerWaalsContact C-N 3.34Å; L1058-F1060 PolarHBondContact O-N 3.32Å; L1058-L1061 PolarHBondContact O-N 3.36Å; L1058-L1061 VanDerWaalsContact O-N 3.16Å
1059	N	34	Very low	30.6	Very low	112 Å²	112	116.8 Å²	116.8	60%	0.599	62%	0.615	S	S	*	*	H	α-helix	trans	-67	-33.2	179.1	-74.9	-16.2	0	0	0	112.6	N1055 T1056 L1061 N1062	N1055-N1059 PolarHBondContact O-N 3.04Å; T1056-N1059 PolarHBondContact O-N 3.29Å; N1059-L1061 PolarHBondContact O-N 3.13Å; N1059-N1062 WeakPolarHBondContact O-CB 3.31Å; N1059-N1062 PolarHBondContact O-N 3.02Å
1060	F	29.5	Very low	30.6	Very low	177 Å²	177	119 Å²	119	78%	0.776	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-18	173.6	-86.9	-84.3	0	0	0	114.2	L1058 N1062	L1058-F1060 VanDerWaalsContact C-N 3.34Å; L1058-F1060 PolarHBondContact O-N 3.32Å; F1060-N1062 VanDerWaalsContact C-N 3.35Å
1061	L	29.9	Very low	30.6	Very low	151 Å²	151	123.5 Å²	123.5	79%	0.791	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	3.2	173.2	-75.6	164.9	0	0	0	113.1	L1058 N1059	L1058-L1061 PolarHBondContact O-N 3.36Å; L1058-L1061 VanDerWaalsContact O-N 3.16Å; N1059-L1061 PolarHBondContact O-N 3.13Å
1062	N	29.1	Very low	30.6	Very low	105 Å²	105	126.7 Å²	126.7	56%	0.561	66%	0.656	S	S	*	*			trans	-106.3	46	-180	-157.3	34.2	0	0	0	112	N1059 F1060 S1064	N1059-N1062 WeakPolarHBondContact O-CB 3.31Å; N1059-N1062 PolarHBondContact O-N 3.02Å; F1060-N1062 VanDerWaalsContact C-N 3.35Å; N1062-S1064 PolarHBondContact O-N 3.34Å
1063	M	27	Very low	30.4	Very low	137 Å²	137	127.8 Å²	127.8	68%	0.675	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	52	-179.7	-78.6	-73.9	-76.1	0	0	113.2	M1066	M1063-M1066 HydrophobicContact CE-CB 3.99Å; M1063-M1066 HydrophobicContact CE-CG 3.85Å; M1063-M1066 HydrophobicContact SD-CB 4.47Å; M1063-M1066 HydrophobicContact SD-CG 3.86Å
1064	S	29.4	Very low	30.2	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-10.4	170.3	-63.1	0	0	0	0	113.1	N1062	N1062-S1064 PolarHBondContact O-N 3.34Å
1065	N	30.5	Very low	30.1	Very low	126 Å²	126	137.1 Å²	137.1	67%	0.674	71%	0.705	S	S	*	*	S	Bend	trans	-112.6	23.1	-167.1	-65.5	20.3	0	0	0	114
1066	M	27.7	Very low	29.8	Very low	147 Å²	147	141.2 Å²	141.2	72%	0.724	73%	0.727	S	S	*	*	S	Bend	trans	-121.6	20.1	179.3	-69.5	-82.7	92.3	0	0	113.3	M1063	M1063-M1066 HydrophobicContact CE-CB 3.99Å; M1063-M1066 HydrophobicContact CE-CG 3.85Å; M1063-M1066 HydrophobicContact SD-CB 4.47Å; M1063-M1066 HydrophobicContact SD-CG 3.86Å
1067	L	29.7	Very low	29.6	Very low	166 Å²	166	144.4 Å²	144.4	87%	0.869	74%	0.741	S	S	*	*			trans	-135.3	60.3	174.4	-84.9	169.6	0	0	0	110
1068	N	27.8	Very low	29.6	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	75%	0.753	S	S	*	*			trans	-146	82.4	170.4	-93.2	-27.9	0	0	0	109.6
1069	D	30.1	Very low	29.5	Very low	166 Å²	166	152 Å²	152	89%	0.888	77%	0.771	S	S	*	*			trans	-146.6	146.2	144.6	-108.3	-39.6	0	0	0	107.7
1070	E	30.5	Very low	29.2	Very low	163 Å²	163	154.4 Å²	154.4	76%	0.762	78%	0.783	S	S	*	*			trans	-90.2	169.7	-154	-42	179.9	128.2	0	0	113.6
1071	K	33	Very low	29.3	Very low	172 Å²	172	152.6 Å²	152.6	75%	0.748	78%	0.78	S	S	*	*			cis	-150.8	141.5	21.6	-64.9	173.7	174.8	171	0	111.6
1072	Q	31.9	Very low	29.5	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	78%	0.778	S	S	*	*				161.2	108.8	117.8	-85.8	-169.5	14	0	0	113.6
1073	N	27.1	Very low	29.8	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	77%	0.767	S	S	*	*			trans	37.1	102.8	144.7	-58.7	-10.9	0	0	0	120.7
1074	Y	27	Very low	30.3	Very low	239 Å²	239	147 Å²	147	94%	0.937	77%	0.767	S	S	*	*				-150.8	154.5	128.6	-98.2	-69.8	0	0	0	110.9
1075	S	31.3	Very low	30.6	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	77%	0.765	S	S	*	*			trans	-48.5	135.6	-161	-159.8	0	0	0	0	117.5	D1077	S1075-D1077 PolarHBondContact O-N 3.17Å
1076	N	26.4	Very low	31	Very low	157 Å²	157	146.5 Å²	146.5	84%	0.84	76%	0.756	S	S	*	*			trans	-78.6	105.8	170.6	-81.6	-35.8	0	0	0	111.8
1077	D	29.2	Very low	31.9	Very low	145 Å²	145	145.2 Å²	145.2	78%	0.775	75%	0.748	S	S	*	*			trans	-161	94.4	162.6	-110	-32	0	0	0	109.5	S1075	S1075-D1077 PolarHBondContact O-N 3.17Å
1078	H	29.7	Very low	32.6	Very low	169 Å²	169	140 Å²	140	78%	0.782	73%	0.726	S	S	*	*			trans	165.4	-11.1	149.4	-101.3	-66	0	0	0	116.7	L1080	H1078-L1080 PolarHBondContact O-N 3.02Å
1079	L	28	Very low	33.1	Very low	182 Å²	182	136.8 Å²	136.8	95%	0.953	71%	0.708	S	S	*	*			trans	-82.5	68.9	-171.6	-89.6	159	0	0	0	114.4
1080	L	28.9	Very low	33.7	Very low	164 Å²	164	134.2 Å²	134.2	86%	0.859	69%	0.69	S	S	*	*			trans	-161.3	59.4	165.5	-118.7	173.3	0	0	0	114	H1078	H1078-L1080 PolarHBondContact O-N 3.02Å
1081	I	31	Very low	35	Very low	139 Å²	139	129.8 Å²	129.8	71%	0.713	67%	0.674	S	S	*	*			trans	-131.8	98.5	170.3	-54.6	-179	0	0	0	111	S1083	I1081-S1083 PolarHBondContact O-N 3.4Å
1082	T	34.1	Very low	35.9	Very low	124 Å²	124	126.2 Å²	126.2	76%	0.761	66%	0.663	S	S	*	*			trans	-67.6	96	163.6	36.4	0	0	0	0	109.5
1083	S	35.2	Very low	36.5	Very low	47 Å²	47	124.5 Å²	124.5	33%	0.329	65%	0.65	S	S	.	*			trans	-60.2	130.1	-174.8	-179.7	0	0	0	0	112	I1081 L1085 I1086	I1081-S1083 PolarHBondContact O-N 3.4Å; S1083-L1085 PolarHBondContact O-N 3.16Å; S1083-L1085 WeakPolarHBondContact OG-CB 3.45Å; S1083-L1085 PolarHBondContact OG-N 3.41Å; S1083-I1086 PolarHBondContact O-N 3.44Å
1084	P	38.2	Very low	37.8	Very low	104 Å²	104	124.7 Å²	124.7	68%	0.675	64%	0.644	S	S	*	*	H	α-helix	trans	-54.8	-19.3	172.2	-27.2	35.4	0	0	0	113.8	I1086 Q1087 S1088	P1084-I1086 VanDerWaalsContact C-N 3.34Å; P1084-Q1087 PolarHBondContact O-N 2.91Å; P1084-S1088 WeakPolarHBondContact O-CB 3.4Å; P1084-S1088 PolarHBondContact O-N 3.04Å
1085	L	35	Very low	39.2	Very low	110 Å²	110	118.2 Å²	118.2	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-68.2	-31.5	175.7	-152.7	148.1	0	0	0	112.1	S1083 S1088 I1089	S1083-L1085 PolarHBondContact O-N 3.16Å; S1083-L1085 WeakPolarHBondContact OG-CB 3.45Å; S1083-L1085 PolarHBondContact OG-N 3.41Å; L1085-S1088 WeakPolarHBondContact O-CB 3.21Å; L1085-S1088 PolarHBondContact O-N 2.86Å; L1085-I1089 HydrophobicContact CD2-CD1 3.79Å; L1085-I1089 HydrophobicContact CD2-CG1 4.45Å; L1085-I1089 VanDerWaalsContact O-CG1 3.31Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.35Å; L1085-I1089 PolarHBondContact O-N 3.05Å
1086	I	40.2	Very low	40.2	Very low	96 Å²	96	119.4 Å²	119.4	49%	0.492	61%	0.614	S	S	.	*	H	α-helix	trans	-71.9	-45	172.9	-62.6	171.4	0	0	0	110.1	S1083 P1084 S1088 I1089 Q1090	S1083-I1086 PolarHBondContact O-N 3.44Å; P1084-I1086 VanDerWaalsContact C-N 3.34Å; I1086-S1088 PolarHBondContact O-N 3.41Å; I1086-I1089 PolarHBondContact O-N 2.96Å; I1086-I1089 VanDerWaalsContact O-N 3.12Å; I1086-Q1090 WeakPolarHBondContact O-CG 3.28Å; I1086-Q1090 PolarHBondContact O-N 3.08Å
1087	Q	45.6	Very low	41	Very low	120 Å²	120	115.7 Å²	115.7	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-57.7	-38.8	173.3	-144.6	90.6	26	0	0	111.5	P1084 T1091	P1084-Q1087 PolarHBondContact O-N 2.91Å; Q1087-T1091 WeakPolarHBondContact O-CB 3.2Å; Q1087-T1091 WeakPolarHBondContact O-CG2 3.31Å; Q1087-T1091 PolarHBondContact O-N 2.91Å; Q1087-T1091 PolarHBondContact O-OG1 3.26Å
1088	S	43.6	Very low	41.8	Very low	57 Å²	57	114.2 Å²	114.2	40%	0.399	58%	0.583	S	S	.	*	H	α-helix	trans	-65.1	-42.1	174.8	-179	0	0	0	0	112.5	P1084 L1085 I1086 T1091 N1092	P1084-S1088 WeakPolarHBondContact O-CB 3.4Å; P1084-S1088 PolarHBondContact O-N 3.04Å; L1085-S1088 WeakPolarHBondContact O-CB 3.21Å; L1085-S1088 PolarHBondContact O-N 2.86Å; I1086-S1088 PolarHBondContact O-N 3.41Å; S1088-T1091 WeakPolarHBondContact CA-OG1 3.44Å; S1088-T1091 PolarHBondContact O-OG1 3.16Å; S1088-T1091 VanDerWaalsContact O-OG1 3.13Å; S1088-N1092 WeakPolarHBondContact O-CB 3.24Å; S1088-N1092 PolarHBondContact O-N 2.99Å; S1088-N1092 PolarHBondContact O-ND2 3.07Å
1089	I	39.5	Very low	42.8	Very low	84 Å²	84	112.1 Å²	112.1	43%	0.431	57%	0.572	S	S	.	*	H	α-helix	trans	-65.6	-49.1	175.5	-71.6	165.1	0	0	0	110.5	L1085 I1086 T1091 N1092 Y1093	L1085-I1089 HydrophobicContact CD2-CD1 3.79Å; L1085-I1089 HydrophobicContact CD2-CG1 4.45Å; L1085-I1089 VanDerWaalsContact O-CG1 3.31Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.35Å; L1085-I1089 PolarHBondContact O-N 3.05Å; I1086-I1089 PolarHBondContact O-N 2.96Å; I1086-I1089 VanDerWaalsContact O-N 3.12Å; I1089-T1091 PolarHBondContact O-N 2.95Å; I1089-N1092 PolarHBondContact O-N 3.25Å; I1089-Y1093 WeakPolarHBondContact O-CB 3.23Å; I1089-Y1093 PolarHBondContact O-N 3.27Å
1090	Q	42.7	Very low	43.5	Very low	113 Å²	113	108.2 Å²	108.2	53%	0.528	55%	0.551	S	S	.	*	H	α-helix	trans	-57.4	-46	177.4	-72.9	176.2	-12.8	0	0	112	I1086 Y1093 K1094	I1086-Q1090 WeakPolarHBondContact O-CG 3.28Å; I1086-Q1090 PolarHBondContact O-N 3.08Å; Q1090-Y1093 PolarHBondContact O-N 2.85Å; Q1090-K1094 VanDerWaalsContact O-CB 3.25Å; Q1090-K1094 WeakPolarHBondContact O-CB 3.38Å; Q1090-K1094 PolarHBondContact O-N 3.02Å
1091	T	56.7	Low	44	Very low	69 Å²	69	105.3 Å²	105.3	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-68.3	-39.7	178.6	49.1	0	0	0	0	112.4	Q1087 S1088 I1089 Q1095	Q1087-T1091 WeakPolarHBondContact O-CB 3.2Å; Q1087-T1091 WeakPolarHBondContact O-CG2 3.31Å; Q1087-T1091 PolarHBondContact O-N 2.91Å; Q1087-T1091 PolarHBondContact O-OG1 3.26Å; S1088-T1091 WeakPolarHBondContact CA-OG1 3.44Å; S1088-T1091 PolarHBondContact O-OG1 3.16Å; S1088-T1091 VanDerWaalsContact O-OG1 3.13Å; I1089-T1091 PolarHBondContact O-N 2.95Å; T1091-Q1095 WeakPolarHBondContact O-CB 3.43Å; T1091-Q1095 VanDerWaalsContact O-CG 3.25Å; T1091-Q1095 WeakPolarHBondContact O-CG 3.43Å; T1091-Q1095 PolarHBondContact O-N 2.94Å
1092	N	52.8	Low	44.7	Very low	97 Å²	97	104 Å²	104	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-43.6	173.1	-87.1	-83.7	0	0	0	112.2	S1088 I1089 Q1095 K1096	S1088-N1092 WeakPolarHBondContact O-CB 3.24Å; S1088-N1092 PolarHBondContact O-N 2.99Å; S1088-N1092 PolarHBondContact O-ND2 3.07Å; I1089-N1092 PolarHBondContact O-N 3.25Å; N1092-Q1095 PolarHBondContact O-N 2.55Å; N1092-K1096 WeakPolarHBondContact O-CB 3.46Å; N1092-K1096 PolarHBondContact O-N 2.85Å
1093	Y	43.9	Very low	45.3	Very low	145 Å²	145	102.4 Å²	102.4	57%	0.569	51%	0.514	S	S	*	.	H	α-helix	trans	-66.7	-44.2	179.4	-142.1	-97.2	0	0	0	111.3	I1089 Q1090 Q1095 K1096 I1097	I1089-Y1093 WeakPolarHBondContact O-CB 3.23Å; I1089-Y1093 PolarHBondContact O-N 3.27Å; Q1090-Y1093 PolarHBondContact O-N 2.85Å; Y1093-Q1095 PolarHBondContact O-N 2.54Å; Y1093-K1096 PolarHBondContact O-N 2.75Å; Y1093-K1096 VanDerWaalsContact O-N 3.16Å; Y1093-I1097 HydrophobicContact CD1-CD1 3.73Å; Y1093-I1097 HydrophobicContact CD1-CG1 4.36Å; Y1093-I1097 HydrophobicContact CE1-CD1 3.98Å; Y1093-I1097 WeakPolarHBondContact O-CG1 3.48Å; Y1093-I1097 PolarHBondContact O-N 2.73Å
1094	K	55.5	Low	45.6	Very low	148 Å²	148	103.8 Å²	103.8	64%	0.643	52%	0.524	S	S	*	.	H	α-helix	trans	-61.2	-43.8	174.8	-166.6	168.8	-173.7	171.6	0	111.8	Q1090 K1096 I1097 M1098	Q1090-K1094 VanDerWaalsContact O-CB 3.25Å; Q1090-K1094 WeakPolarHBondContact O-CB 3.38Å; Q1090-K1094 PolarHBondContact O-N 3.02Å; K1094-K1096 VanDerWaalsContact C-N 3.35Å; K1094-K1096 PolarHBondContact O-N 2.89Å; K1094-I1097 PolarHBondContact O-N 2.83Å; K1094-M1098 HydrophobicContact CG-SD 4.36Å; K1094-M1098 WeakPolarHBondContact O-CB 3.5Å; K1094-M1098 VanDerWaalsContact O-CG 3.27Å; K1094-M1098 WeakPolarHBondContact O-CG 3.48Å; K1094-M1098 PolarHBondContact O-N 2.9Å
1095	Q	56.3	Low	45.7	Very low	104 Å²	104	103.6 Å²	103.6	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-36.1	173.4	-75.6	-179.3	22.2	0	0	113	T1091 N1092 Y1093 K1099	T1091-Q1095 WeakPolarHBondContact O-CB 3.43Å; T1091-Q1095 VanDerWaalsContact O-CG 3.25Å; T1091-Q1095 WeakPolarHBondContact O-CG 3.43Å; T1091-Q1095 PolarHBondContact O-N 2.94Å; N1092-Q1095 PolarHBondContact O-N 2.55Å; Y1093-Q1095 PolarHBondContact O-N 2.54Å; Q1095-K1099 WeakPolarHBondContact O-CB 3.34Å; Q1095-K1099 WeakPolarHBondContact O-CG 3.25Å; Q1095-K1099 PolarHBondContact O-N 3.14Å
1096	K	52.3	Low	46.1	Very low	134 Å²	134	104.2 Å²	104.2	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-68.3	-42.9	177.7	-167.2	-179.5	-179.4	-170.9	0	111.4	N1092 Y1093 K1094 K1099 L1100	N1092-K1096 WeakPolarHBondContact O-CB 3.46Å; N1092-K1096 PolarHBondContact O-N 2.85Å; Y1093-K1096 PolarHBondContact O-N 2.75Å; Y1093-K1096 VanDerWaalsContact O-N 3.16Å; K1094-K1096 VanDerWaalsContact C-N 3.35Å; K1094-K1096 PolarHBondContact O-N 2.89Å; K1096-K1099 PolarHBondContact O-N 3.5Å; K1096-L1100 WeakPolarHBondContact O-CG 3.48Å; K1096-L1100 PolarHBondContact O-N 3.39Å
1097	I	43.1	Very low	46.2	Very low	79 Å²	79	104.6 Å²	104.6	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-45.2	173.5	-67.4	170.6	0	0	0	110.7	Y1093 K1094 K1099 L1100 N1101	Y1093-I1097 HydrophobicContact CD1-CD1 3.73Å; Y1093-I1097 HydrophobicContact CD1-CG1 4.36Å; Y1093-I1097 HydrophobicContact CE1-CD1 3.98Å; Y1093-I1097 WeakPolarHBondContact O-CG1 3.48Å; Y1093-I1097 PolarHBondContact O-N 2.73Å; K1094-I1097 PolarHBondContact O-N 2.83Å; I1097-K1099 VanDerWaalsContact C-N 3.34Å; I1097-K1099 PolarHBondContact O-N 3.18Å; I1097-L1100 PolarHBondContact O-N 2.93Å; I1097-N1101 PolarHBondContact O-N 3.24Å
1098	M	45.1	Very low	45.7	Very low	114 Å²	114	106.6 Å²	106.6	56%	0.562	52%	0.521	S	S	*	.	H	α-helix	trans	-59.3	-42.7	176.1	-73.2	177.2	73.1	0	0	112	K1094 N1101 E1102	K1094-M1098 HydrophobicContact CG-SD 4.36Å; K1094-M1098 WeakPolarHBondContact O-CB 3.5Å; K1094-M1098 VanDerWaalsContact O-CG 3.27Å; K1094-M1098 WeakPolarHBondContact O-CG 3.48Å; K1094-M1098 PolarHBondContact O-N 2.9Å; M1098-N1101 PolarHBondContact O-N 2.85Å; M1098-E1102 WeakPolarHBondContact O-CB 3.31Å; M1098-E1102 WeakPolarHBondContact O-CG 3.42Å; M1098-E1102 PolarHBondContact O-N 3.47Å
1099	K	50.4	Low	45.6	Very low	125 Å²	125	110 Å²	110	54%	0.543	53%	0.529	S	S	.	.	H	α-helix	trans	-67.4	-33.5	175.8	-75.9	173.3	178.9	172.5	0	113.5	Q1095 K1096 I1097 N1103	Q1095-K1099 WeakPolarHBondContact O-CB 3.34Å; Q1095-K1099 WeakPolarHBondContact O-CG 3.25Å; Q1095-K1099 PolarHBondContact O-N 3.14Å; K1096-K1099 PolarHBondContact O-N 3.5Å; I1097-K1099 VanDerWaalsContact C-N 3.34Å; I1097-K1099 PolarHBondContact O-N 3.18Å; K1099-N1103 WeakPolarHBondContact O-CB 3.48Å; K1099-N1103 VanDerWaalsContact O-CG 3.26Å; K1099-N1103 PolarHBondContact O-N 3.21Å; K1099-N1103 PolarHBondContact O-ND2 3.05Å
1100	L	42.9	Very low	45.6	Very low	99 Å²	99	111.1 Å²	111.1	52%	0.518	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-47	171.7	-75	164.7	0	0	0	110.5	K1096 I1097 N1103 S1104	K1096-L1100 WeakPolarHBondContact O-CG 3.48Å; K1096-L1100 PolarHBondContact O-N 3.39Å; I1097-L1100 PolarHBondContact O-N 2.93Å; L1100-N1103 PolarHBondContact O-N 2.91Å; L1100-S1104 PolarHBondContact O-N 3.4Å; L1100-S1104 PolarHBondContact O-OG 3.4Å
1101	N	40.1	Very low	45.3	Very low	103 Å²	103	109.9 Å²	109.9	55%	0.551	54%	0.539	S	S	*	.	H	α-helix	trans	-67.2	-36.7	178.2	-71.4	3.5	0	0	0	112.7	I1097 M1098 S1104 L1105	I1097-N1101 PolarHBondContact O-N 3.24Å; M1098-N1101 PolarHBondContact O-N 2.85Å; N1101-S1104 PolarHBondContact O-N 2.61Å; N1101-L1105 WeakPolarHBondContact O-CB 3.17Å; N1101-L1105 PolarHBondContact O-N 2.8Å
1102	E	45.5	Very low	44.3	Very low	112 Å²	112	112 Å²	112	52%	0.523	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-39.6	171.5	-79.7	-170.2	146.2	0	0	112.3	M1098 L1105 K1106	M1098-E1102 WeakPolarHBondContact O-CB 3.31Å; M1098-E1102 WeakPolarHBondContact O-CG 3.42Å; M1098-E1102 PolarHBondContact O-N 3.47Å; E1102-L1105 PolarHBondContact O-N 3.07Å; E1102-K1106 WeakPolarHBondContact O-CB 3.36Å; E1102-K1106 WeakPolarHBondContact O-CG 3.19Å; E1102-K1106 PolarHBondContact O-N 3.43Å
1103	N	47	Very low	43.3	Very low	90 Å²	90	113.7 Å²	113.7	48%	0.481	56%	0.557	S	S	.	*	H	α-helix	trans	-69.4	-42.7	176.1	-76.2	-18.6	0	0	0	111.4	K1099 L1100 L1105 K1106 N1107	K1099-N1103 WeakPolarHBondContact O-CB 3.48Å; K1099-N1103 VanDerWaalsContact O-CG 3.26Å; K1099-N1103 PolarHBondContact O-N 3.21Å; K1099-N1103 PolarHBondContact O-ND2 3.05Å; L1100-N1103 PolarHBondContact O-N 2.91Å; N1103-L1105 VanDerWaalsContact C-N 3.35Å; N1103-L1105 PolarHBondContact O-N 3.4Å; N1103-K1106 PolarHBondContact O-N 3.11Å; N1103-N1107 WeakPolarHBondContact O-CB 3.33Å; N1103-N1107 PolarHBondContact O-N 2.67Å; N1103-N1107 PolarHBondContact O-ND2 2.96Å
1104	S	41.4	Very low	42.8	Very low	76 Å²	76	114.3 Å²	114.3	53%	0.531	57%	0.569	S	S	.	*	H	α-helix	trans	-60.2	-43.4	172.4	-63.9	0	0	0	0	111.6	L1100 N1101 N1107 Y1108	L1100-S1104 PolarHBondContact O-N 3.4Å; L1100-S1104 PolarHBondContact O-OG 3.4Å; N1101-S1104 PolarHBondContact O-N 2.61Å; S1104-N1107 PolarHBondContact O-N 2.78Å; S1104-Y1108 WeakPolarHBondContact O-CB 3.24Å; S1104-Y1108 PolarHBondContact O-N 3.12Å
1105	L	40.9	Very low	41.5	Very low	100 Å²	100	111.5 Å²	111.5	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-70.4	-34.3	178.6	-172	65.3	0	0	0	112.7	N1101 E1102 N1103 K1109	N1101-L1105 WeakPolarHBondContact O-CB 3.17Å; N1101-L1105 PolarHBondContact O-N 2.8Å; E1102-L1105 PolarHBondContact O-N 3.07Å; N1103-L1105 VanDerWaalsContact C-N 3.35Å; N1103-L1105 PolarHBondContact O-N 3.4Å; L1105-K1109 WeakPolarHBondContact O-CB 3.31Å; L1105-K1109 WeakPolarHBondContact O-CG 3.47Å; L1105-K1109 PolarHBondContact O-N 2.95Å
1106	K	43.6	Very low	40.2	Very low	124 Å²	124	114.2 Å²	114.2	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-66.6	-43.2	170.1	-83.8	177.1	176.6	170.1	0	111.6	E1102 N1103 K1109 N1110	E1102-K1106 WeakPolarHBondContact O-CB 3.36Å; E1102-K1106 WeakPolarHBondContact O-CG 3.19Å; E1102-K1106 PolarHBondContact O-N 3.43Å; N1103-K1106 PolarHBondContact O-N 3.11Å; K1106-K1109 PolarHBondContact O-N 3.03Å; K1106-N1110 WeakPolarHBondContact O-CB 3.17Å; K1106-N1110 PolarHBondContact O-N 3.13Å; K1106-N1110 PolarHBondContact O-ND2 3.32Å; K1106-N1110 PolarHBondContact O-OD1 3.33Å
1107	N	41.2	Very low	39	Very low	104 Å²	104	115.8 Å²	115.8	56%	0.556	60%	0.601	S	S	*	*	H	α-helix	trans	-61.1	-47	174.7	-71.4	-12.7	0	0	0	110.4	N1103 S1104 K1109 N1110 S1111	N1103-N1107 WeakPolarHBondContact O-CB 3.33Å; N1103-N1107 PolarHBondContact O-N 2.67Å; N1103-N1107 PolarHBondContact O-ND2 2.96Å; S1104-N1107 PolarHBondContact O-N 2.78Å; N1107-K1109 PolarHBondContact O-N 2.97Å; N1107-N1110 PolarHBondContact O-N 3.06Å; N1107-N1110 VanDerWaalsContact O-N 3.12Å; N1107-S1111 PolarHBondContact O-N 2.89Å; N1107-S1111 PolarHBondContact O-OG 3.37Å; N1107-S1111 VanDerWaalsContact O-OG 3.13Å
1108	Y	36	Very low	38.3	Very low	162 Å²	162	119.5 Å²	119.5	64%	0.635	62%	0.621	S	S	*	*	H	α-helix	trans	-60.2	-44	176.8	-151.1	-100.4	0	0	0	112.3	S1104 N1110 S1111 L1112	S1104-Y1108 WeakPolarHBondContact O-CB 3.24Å; S1104-Y1108 PolarHBondContact O-N 3.12Å; Y1108-N1110 PolarHBondContact O-N 2.89Å; Y1108-S1111 PolarHBondContact O-N 3.35Å; Y1108-L1112 HydrophobicContact CD1-CD1 3.65Å; Y1108-L1112 HydrophobicContact CE1-CD1 3.72Å; Y1108-L1112 WeakPolarHBondContact O-CB 3.34Å; Y1108-L1112 PolarHBondContact O-N 3.24Å
1109	K	40.9	Very low	37.4	Very low	128 Å²	128	122.5 Å²	122.5	56%	0.557	63%	0.634	S	S	*	*	H	α-helix	trans	-64.8	-34.7	173.4	-78.5	-174.1	174.3	-172.3	0	113.2	L1105 K1106 N1107 N1113	L1105-K1109 WeakPolarHBondContact O-CB 3.31Å; L1105-K1109 WeakPolarHBondContact O-CG 3.47Å; L1105-K1109 PolarHBondContact O-N 2.95Å; K1106-K1109 PolarHBondContact O-N 3.03Å; N1107-K1109 PolarHBondContact O-N 2.97Å; K1109-N1113 PolarHBondContact O-N 3.15Å; K1109-N1113 PolarHBondContact O-ND2 3.13Å
1110	N	39.8	Very low	36.2	Very low	107 Å²	107	127.7 Å²	127.7	57%	0.572	65%	0.652	S	S	*	*	H	α-helix	trans	-73.1	-37.3	176.2	-69.7	-11.7	0	0	0	111.6	K1106 N1107 Y1108 N1113	K1106-N1110 WeakPolarHBondContact O-CB 3.17Å; K1106-N1110 PolarHBondContact O-N 3.13Å; K1106-N1110 PolarHBondContact O-ND2 3.32Å; K1106-N1110 PolarHBondContact O-OD1 3.33Å; N1107-N1110 PolarHBondContact O-N 3.06Å; N1107-N1110 VanDerWaalsContact O-N 3.12Å; Y1108-N1110 PolarHBondContact O-N 2.89Å; N1110-N1113 PolarHBondContact O-N 2.78Å
1111	S	36.6	Very low	35.2	Very low	87 Å²	87	129.8 Å²	129.8	61%	0.608	66%	0.663	S	S	*	*	H	α-helix	trans	-62.9	-41	172.7	-63.8	0	0	0	0	112.3	N1107 Y1108 N1113 L1114	N1107-S1111 PolarHBondContact O-N 2.89Å; N1107-S1111 PolarHBondContact O-OG 3.37Å; N1107-S1111 VanDerWaalsContact O-OG 3.13Å; Y1108-S1111 PolarHBondContact O-N 3.35Å; S1111-N1113 VanDerWaalsContact C-N 3.26Å; S1111-N1113 PolarHBondContact O-N 3.44Å; S1111-L1114 PolarHBondContact O-N 2.79Å
1112	L	35.8	Very low	34.7	Very low	115 Å²	115	135.3 Å²	135.3	60%	0.602	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-13.3	177	-84.5	160.3	0	0	0	114.7	Y1108	Y1108-L1112 HydrophobicContact CD1-CD1 3.65Å; Y1108-L1112 HydrophobicContact CE1-CD1 3.72Å; Y1108-L1112 WeakPolarHBondContact O-CB 3.34Å; Y1108-L1112 PolarHBondContact O-N 3.24Å
1113	N	32.1	Very low	33.6	Very low	132 Å²	132	136.5 Å²	136.5	71%	0.706	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	11.6	178.2	-83.3	-79.1	0	0	0	113.6	K1109 N1110 S1111	K1109-N1113 PolarHBondContact O-N 3.15Å; K1109-N1113 PolarHBondContact O-ND2 3.13Å; N1110-N1113 PolarHBondContact O-N 2.78Å; S1111-N1113 VanDerWaalsContact C-N 3.26Å; S1111-N1113 PolarHBondContact O-N 3.44Å
1114	L	31.9	Very low	32.7	Very low	158 Å²	158	140.5 Å²	140.5	83%	0.827	71%	0.709	S	S	*	*	S	Bend	trans	-114.9	20.4	-176.3	-130.6	74.5	0	0	0	114.9	S1111	S1111-L1114 PolarHBondContact O-N 2.79Å
1115	S	28.7	Very low	31.9	Very low	88 Å²	88	143.4 Å²	143.4	62%	0.615	72%	0.718	S	S	*	*	S	Bend	trans	-146.5	55.2	-178.3	63.7	0	0	0	0	113.8
1116	N	29.4	Very low	31.2	Very low	161 Å²	161	145.5 Å²	145.5	86%	0.861	73%	0.729	S	S	*	*			trans	-159.7	72	162.6	-104.3	-28.2	0	0	0	112.3
1117	N	25.7	Very low	30.5	Very low	168 Å²	168	148.6 Å²	148.6	90%	0.898	74%	0.743	S	S	*	*			trans	-108.7	83.6	165.8	-101	-15	0	0	0	108.8
1118	N	29.7	Very low	29.8	Very low	156 Å²	156	149 Å²	149	83%	0.834	75%	0.749	S	S	*	*	S	Bend	trans	-154.8	152	163.6	-100.1	-31.9	0	0	0	109.9	Y1120	N1118-Y1120 PolarHBondContact O-N 2.66Å
1119	Q	25	Very low	29.6	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	75%	0.751	S	S	*	*			trans	-76.6	120.1	-169.1	-60.4	150.9	-95.3	0	0	112.1
1120	Y	25.6	Very low	29	Very low	234 Å²	234	151.3 Å²	151.3	92%	0.918	76%	0.761	S	S	*	*			trans	-143.4	138.3	143.9	-92.3	-69.9	0	0	0	110.6	N1118	N1118-Y1120 PolarHBondContact O-N 2.66Å
1121	N	23.3	Very low	28.7	Very low	143 Å²	143	151.2 Å²	151.2	77%	0.765	77%	0.768	S	S	*	*			trans	-126	108.1	-173.3	-171	9.1	0	0	0	108.2
1122	Y	27.7	Very low	28.3	Very low	219 Å²	219	154.1 Å²	154.1	86%	0.859	78%	0.776	S	S	*	*			trans	-147.9	127.2	174.6	-106.6	-79.3	0	0	0	110.3
1123	N	24.1	Very low	28.1	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	78%	0.781	S	S	*	*			trans	-79.9	146.2	171.1	-56.5	-59.8	0	0	0	109.9
1124	L	27.7	Very low	28.1	Very low	174 Å²	174	152.8 Å²	152.8	91%	0.911	78%	0.777	S	S	*	*			trans	-153	103.5	147.7	-158.9	65.4	0	0	0	111.3
1125	D	24.1	Very low	28	Very low	137 Å²	137	152 Å²	152	73%	0.733	77%	0.773	S	S	*	*			trans	-68.4	143.8	160.1	-63.1	-75.3	0	0	0	110.1
1126	L	25.4	Very low	28.3	Very low	144 Å²	144	157.9 Å²	157.9	75%	0.754	79%	0.788	S	S	*	*			trans	178.6	101.5	133.9	-118.4	60.9	0	0	0	111.8
1127	F	29.5	Very low	28.4	Very low	189 Å²	189	159.2 Å²	159.2	83%	0.829	79%	0.789	S	S	*	*				177.8	136.8	98.8	-105.4	-74	0	0	0	111.6
1128	T	27.1	Very low	28.9	Very low	111 Å²	111	157 Å²	157	68%	0.681	78%	0.783	S	S	*	*			trans	-103.6	157	-177.9	48.4	0	0	0	0	111.6
1129	H	31.6	Very low	29.3	Very low	145 Å²	145	155.4 Å²	155.4	67%	0.671	78%	0.782	S	S	*	*				179.9	134.4	119.2	-100.2	-60.4	0	0	0	115.2
1130	Y	28.4	Very low	29.8	Very low	195 Å²	195	156.4 Å²	156.4	77%	0.765	79%	0.787	S	S	*	*			trans	63	138.2	159.2	-64.6	-62.1	0	0	0	119.2
1131	S	32.8	Very low	30.1	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	79%	0.786	S	S	*	*			cis	-143	168.7	6.3	-99.4	0	0	0	0	113.4
1132	L	28.4	Very low	30.7	Very low	148 Å²	148	156.8 Å²	156.8	78%	0.775	79%	0.792	S	S	*	*			trans	-74.4	174.2	-179.9	-58.4	109.5	0	0	0	112.2
1133	D	30.9	Very low	31.4	Very low	129 Å²	129	152 Å²	152	69%	0.69	79%	0.788	S	S	*	*			cis	-161.2	164.7	26.1	-148.9	-45.3	0	0	0	115
1134	S	33	Very low	32.2	Very low	89 Å²	89	151 Å²	151	62%	0.622	79%	0.789	S	S	*	*			trans	75.7	87.5	146	-80.1	0	0	0	0	124.2
1135	N	30.2	Very low	33.1	Very low	142 Å²	142	148.9 Å²	148.9	76%	0.759	79%	0.786	S	S	*	*				53.2	113.4	112.6	-66.7	-54.6	0	0	0	122.1
1136	K	33.9	Very low	33.9	Very low	212 Å²	212	147.7 Å²	147.7	92%	0.922	79%	0.785	S	S	*	*				-169.1	165.3	107.5	-104.3	171.6	-176.9	178.7	0	113.7
1137	Q	33.2	Very low	34.3	Very low	189 Å²	189	148.5 Å²	148.5	88%	0.883	79%	0.785	S	S	*	*			trans	-98.3	158.8	-161.1	-64.7	169.8	-48.9	0	0	115.7
1138	P	36.3	Very low	34.6	Very low	120 Å²	120	149.1 Å²	149.1	78%	0.779	79%	0.79	S	S	*	*			trans	-102.9	160.7	170.2	39.2	-33.6	0	0	0	114.2
1139	P	38.2	Very low	34.9	Very low	124 Å²	124	151.4 Å²	151.4	81%	0.805	79%	0.793	S	S	*	*			trans	-108.5	111.7	173.7	35.9	-27.1	0	0	0	115.1
1140	Q	34	Very low	35	Very low	198 Å²	198	148.7 Å²	148.7	93%	0.925	79%	0.789	S	S	*	*			trans	34.3	158.7	138.5	-64.3	-175.3	-9.8	0	0	124.6
1141	Q	31.8	Very low	35.1	Very low	192 Å²	192	147 Å²	147	90%	0.897	79%	0.788	S	S	*	*			trans	-99.7	173	-175.8	-60.1	165.2	-31.8	0	0	113.1
1142	Q	35.6	Very low	34.9	Very low	192 Å²	192	150.3 Å²	150.3	90%	0.897	79%	0.792	S	S	*	*			trans	-128	146.1	157.7	-77.2	-170.9	-29.8	0	0	111.6
1143	P	43.8	Very low	35.3	Very low	119 Å²	119	148.7 Å²	148.7	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-98.7	166.5	-172.3	38.8	-36.9	0	0	0	114.9
1144	P	39.4	Very low	35.3	Very low	118 Å²	118	150.7 Å²	150.7	77%	0.766	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-85.6	159.7	175.6	35.4	-36	0	0	0	114
1145	P	48	Very low	34.9	Very low	129 Å²	129	153.6 Å²	153.6	84%	0.838	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.3	155.4	179.3	33.4	-35.7	0	0	0	114
1146	P	39.6	Very low	34.7	Very low	111 Å²	111	154.1 Å²	154.1	72%	0.721	80%	0.797	S	S	*	*			trans	-114.6	155	-166.9	41	-33	0	0	0	117.2
1147	Q	34.8	Very low	34.4	Very low	162 Å²	162	149.7 Å²	149.7	76%	0.757	78%	0.78	S	S	*	*			trans	46	137.6	139.9	-62.4	-179.6	5.2	0	0	123
1148	Q	36.5	Very low	34	Very low	201 Å²	201	149 Å²	149	94%	0.939	77%	0.77	S	S	*	*				-144.6	154.2	128.4	-107	166.1	27.9	0	0	110.5
1149	Q	32.3	Very low	33.5	Very low	159 Å²	159	150.6 Å²	150.6	74%	0.743	77%	0.771	S	S	*	*			trans	-125	-154.6	-175.1	-60.8	-172.6	-21.7	0	0	108.1
1150	P	34.9	Very low	32.9	Very low	88 Å²	88	150.6 Å²	150.6	57%	0.571	77%	0.769	S	S	*	*			cis	-144.8	-171.4	-6.6	44	-24	0	0	0	117.5
1151	Q	30.5	Very low	32.6	Very low	160 Å²	160	149.5 Å²	149.5	75%	0.748	76%	0.761	S	S	*	*			trans	70.7	151.6	148.8	-76.2	150.9	25.7	0	0	120.2
1152	Q	27.9	Very low	32.6	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	76%	0.761	S	S	*	*			cis	-161.7	172.7	-24.4	-117.1	-174.6	4.9	0	0	110.1
1153	P	36.2	Very low	32.3	Very low	113 Å²	113	143.5 Å²	143.5	73%	0.734	75%	0.745	S	S	*	*			trans	-109.2	168.3	-168.6	41.7	-36.4	0	0	0	116.7
1154	Q	30.7	Very low	31.4	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	74%	0.744	S	S	*	*			trans	-153.8	125.5	161.8	-101	158.2	37.3	0	0	107.9
1155	Q	26.2	Very low	30.8	Very low	150 Å²	150	144.8 Å²	144.8	70%	0.701	74%	0.738	S	S	*	*				91.8	119.6	74.6	-85.3	-174.5	-9.5	0	0	114.5
1156	Q	25.4	Very low	29.7	Very low	153 Å²	153	145.4 Å²	145.4	72%	0.715	73%	0.733	S	S	*	*			trans	63.2	148.4	131.1	-74.2	168.7	-19.5	0	0	120.2
1157	Q	26.4	Very low	29	Very low	119 Å²	119	147.4 Å²	147.4	56%	0.556	73%	0.732	S	S	*	*			cis	-173	176.4	-7.3	-176.1	172.5	13.5	0	0	109.4
1158	Y	26.3	Very low	28.5	Very low	175 Å²	175	145.8 Å²	145.8	69%	0.686	73%	0.729	S	S	*	*			trans	79.7	131.7	171.3	-54.1	-73.3	0	0	0	116
1159	L	25.2	Very low	28	Very low	153 Å²	153	147.4 Å²	147.4	80%	0.801	73%	0.728	S	S	*	*				72.8	139.6	61.7	-100.5	69.7	0	0	0	112.6
1160	T	26.5	Very low	27.8	Very low	123 Å²	123	147.2 Å²	147.2	76%	0.755	73%	0.732	S	S	*	*			cis	-128.2	169.8	14.6	45.2	0	0	0	0	115.3
1161	K	25.8	Very low	27.3	Very low	175 Å²	175	146.9 Å²	146.9	76%	0.761	73%	0.728	S	S	*	*			trans	-44.4	152.5	160.9	-49.5	163.7	-177.5	174.1	0	112.3
1162	D	32.8	Very low	27.2	Very low	167 Å²	167	146.7 Å²	146.7	89%	0.893	73%	0.731	S	S	*	*				-137.2	166.3	109.7	-120.2	-35.5	0	0	0	111
1163	T	28.6	Very low	27.3	Very low	92 Å²	92	142.2 Å²	142.2	56%	0.564	71%	0.709	S	S	*	*			trans	-144.2	155.3	-149.4	-11.6	0	0	0	0	114.6
1164	L	25.8	Very low	26.9	Very low	145 Å²	145	145.4 Å²	145.4	76%	0.759	71%	0.707	S	S	*	*			trans	70	152.2	173.9	-84.5	62.4	0	0	0	113.8
1165	N	25.8	Very low	27	Very low	119 Å²	119	140.7 Å²	140.7	64%	0.636	69%	0.688	S	S	*	*			cis	-150.4	149.4	19.1	-129.3	-11.7	0	0	0	113.5
1166	I	25.4	Very low	27.3	Very low	141 Å²	141	139.7 Å²	139.7	72%	0.723	69%	0.687	S	S	*	*			trans	52	136.2	141.4	-70.1	162.7	0	0	0	119.9
1167	H	24.3	Very low	27.8	Very low	153 Å²	153	137 Å²	137	71%	0.708	68%	0.677	S	S	*	*			cis	-172	160.9	-25.3	-144	-81.5	0	0	0	106.8
1168	N	24.8	Very low	28.1	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	68%	0.676	S	S	*	*			trans	55.7	108.1	164.8	-62.5	-19	0	0	0	119.1
1169	Y	26.7	Very low	28.5	Very low	236 Å²	236	132.3 Å²	132.3	93%	0.925	67%	0.671	S	S	*	*				-165.2	128.8	110.8	-104.6	-69.7	0	0	0	109.1
1170	N	26.7	Very low	29	Very low	154 Å²	154	132.6 Å²	132.6	82%	0.824	66%	0.662	S	S	*	*			trans	-156.6	157.8	-173.5	-141.8	-15.6	0	0	0	112.5
1171	T	25.6	Very low	29.5	Very low	81 Å²	81	131.5 Å²	131.5	50%	0.497	65%	0.651	S	S	.	*			trans	63.8	107.9	172	19.5	0	0	0	0	119.9
1172	I	27.8	Very low	29.9	Very low	156 Å²	156	128.9 Å²	128.9	80%	0.8	64%	0.641	S	S	*	*			trans	-129.6	151.5	144.8	-66.1	-174.3	0	0	0	108.2
1173	K	30.6	Very low	30.2	Very low	81 Å²	81	128.3 Å²	128.3	35%	0.352	63%	0.628	S	S	.	*			trans	-81.9	150.5	-158.7	-72	156.6	167.2	169	0	115.8	T46 G47 T48	T46-K1173 HydrophobicContact CG2-CD 4.44Å; T46-K1173 HydrophobicContact CG2-CG 4.14Å; G47-K1173 VanDerWaalsContact O-CD 3.28Å; G47-K1173 WeakPolarHBondContact O-CD 3.37Å; G47-K1173 WeakPolarHBondContact O-CE 3.28Å; G47-K1173 VanDerWaalsContact O-CG 3.3Å; G47-K1173 WeakPolarHBondContact O-CG 3.23Å; T48-K1173 HydrophobicContact CG2-CD 4.14Å; T48-K1173 PolarHBondContact OG1-NZ 2.79Å
1174	Y	27.7	Very low	30.6	Very low	181 Å²	181	127.1 Å²	127.1	71%	0.71	62%	0.618	S	S	*	*			trans	-91.7	-3.4	178.3	-116.4	-88.5	0	0	0	115.5	N1176 I1177	Y1174-N1176 PolarHBondContact O-N 3.18Å; Y1174-I1177 HydrophobicContact CD1-CD1 4.4Å; Y1174-I1177 HydrophobicContact CE1-CD1 4.32Å
1175	N	32.3	Very low	31.1	Very low	73 Å²	73	123.2 Å²	123.2	39%	0.39	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-39.7	-163.5	-64.9	26.8	0	0	0	114.2	I1177 T1178	N1175-I1177 PolarHBondContact O-N 3.28Å; N1175-T1178 PolarHBondContact O-N 2.78Å; N1175-T1178 VanDerWaalsContact O-N 3.14Å
1176	N	33.3	Very low	31.7	Very low	129 Å²	129	121.5 Å²	121.5	69%	0.69	59%	0.593	S	S	*	*	H	α-helix	trans	-63.3	-20.3	-168.8	-59.5	22.7	0	0	0	114.1	Y1174 Y1180	Y1174-N1176 PolarHBondContact O-N 3.18Å; N1176-Y1180 VanDerWaalsContact O-CB 3.29Å; N1176-Y1180 WeakPolarHBondContact O-CB 3.12Å; N1176-Y1180 PolarHBondContact O-N 3.12Å; N1176-Y1180 VanDerWaalsContact O-N 3.11Å
1177	I	34.9	Very low	32.6	Very low	97 Å²	97	118.6 Å²	118.6	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-73.9	-37	-179.9	-62.2	175.9	0	0	0	110.9	Y1174 N1175 Y1180 I1181	Y1174-I1177 HydrophobicContact CD1-CD1 4.4Å; Y1174-I1177 HydrophobicContact CE1-CD1 4.32Å; N1175-I1177 PolarHBondContact O-N 3.28Å; I1177-Y1180 PolarHBondContact O-N 3.06Å; I1177-I1181 HydrophobicContact CG2-CD1 3.77Å; I1177-I1181 HydrophobicContact CG2-CG1 4.37Å; I1177-I1181 WeakPolarHBondContact O-CB 3.07Å; I1177-I1181 VanDerWaalsContact O-CG1 3.27Å; I1177-I1181 WeakPolarHBondContact O-CG1 3.23Å; I1177-I1181 PolarHBondContact O-N 2.82Å
1178	T	33.5	Very low	33.5	Very low	88 Å²	88	118.6 Å²	118.6	54%	0.54	58%	0.576	S	S	.	*	H	α-helix	trans	-65.8	-46.9	179.4	-50.9	0	0	0	0	110.7	N1175 Y1180 I1181 Q1182	N1175-T1178 PolarHBondContact O-N 2.78Å; N1175-T1178 VanDerWaalsContact O-N 3.14Å; T1178-Y1180 PolarHBondContact O-N 2.93Å; T1178-I1181 PolarHBondContact O-N 2.88Å; T1178-Q1182 WeakPolarHBondContact O-CB 3.35Å; T1178-Q1182 PolarHBondContact O-N 3.23Å
1179	D	35.5	Very low	34.5	Very low	107 Å²	107	117.4 Å²	117.4	57%	0.572	57%	0.569	S	S	*	*	H	α-helix	trans	-65.3	-39.7	177.9	-60.9	-36.9	0	0	0	111.2	I1181 Q1182 Y1183	D1179-I1181 PolarHBondContact O-N 2.81Å; D1179-Q1182 PolarHBondContact O-N 2.56Å; D1179-Y1183 WeakPolarHBondContact O-CB 3.48Å; D1179-Y1183 PolarHBondContact O-N 2.78Å
1180	Y	34.4	Very low	35.2	Very low	158 Å²	158	110.2 Å²	110.2	62%	0.62	55%	0.547	S	S	*	.	H	α-helix	trans	-62.8	-40.9	173.9	-171.2	-103	0	0	0	112.7	N1176 I1177 T1178 N1184	N1176-Y1180 VanDerWaalsContact O-CB 3.29Å; N1176-Y1180 WeakPolarHBondContact O-CB 3.12Å; N1176-Y1180 PolarHBondContact O-N 3.12Å; N1176-Y1180 VanDerWaalsContact O-N 3.11Å; I1177-Y1180 PolarHBondContact O-N 3.06Å; T1178-Y1180 PolarHBondContact O-N 2.93Å; Y1180-N1184 WeakPolarHBondContact CE1-ND2 3.37Å; Y1180-N1184 WeakPolarHBondContact O-CB 3.29Å; Y1180-N1184 PolarHBondContact O-N 3.1Å; Y1180-N1184 PolarHBondContact O-ND2 3.31Å
1181	I	36.3	Very low	36.2	Very low	101 Å²	101	108 Å²	108	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-67.2	-41.1	175	-71.8	169.8	0	0	0	111	I1177 T1178 D1179 S1185	I1177-I1181 HydrophobicContact CG2-CD1 3.77Å; I1177-I1181 HydrophobicContact CG2-CG1 4.37Å; I1177-I1181 WeakPolarHBondContact O-CB 3.07Å; I1177-I1181 VanDerWaalsContact O-CG1 3.27Å; I1177-I1181 WeakPolarHBondContact O-CG1 3.23Å; I1177-I1181 PolarHBondContact O-N 2.82Å; T1178-I1181 PolarHBondContact O-N 2.88Å; D1179-I1181 PolarHBondContact O-N 2.81Å; I1181-S1185 VanDerWaalsContact O-CB 3.25Å; I1181-S1185 WeakPolarHBondContact O-CB 3.44Å; I1181-S1185 PolarHBondContact O-N 2.76Å; I1181-S1185 PolarHBondContact O-OG 2.84Å
1182	Q	34.7	Very low	37.2	Very low	120 Å²	120	108.6 Å²	108.6	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-72.9	-38	-178.3	-165.1	142.9	-62.1	0	0	111.8	T1178 D1179 S1185 N1186	T1178-Q1182 WeakPolarHBondContact O-CB 3.35Å; T1178-Q1182 PolarHBondContact O-N 3.23Å; D1179-Q1182 PolarHBondContact O-N 2.56Å; Q1182-S1185 PolarHBondContact O-N 2.78Å; Q1182-N1186 WeakPolarHBondContact O-CB 3.35Å; Q1182-N1186 PolarHBondContact O-N 2.99Å
1183	Y	38.8	Very low	38.3	Very low	155 Å²	155	103.8 Å²	103.8	61%	0.608	50%	0.504	S	S	*	.	H	α-helix	trans	-62.4	-49.6	170.9	-175.6	-109.6	0	0	0	111.6	D1179 S1185 N1186 I1187	D1179-Y1183 WeakPolarHBondContact O-CB 3.48Å; D1179-Y1183 PolarHBondContact O-N 2.78Å; Y1183-S1185 VanDerWaalsContact C-N 3.28Å; Y1183-S1185 PolarHBondContact O-N 3.22Å; Y1183-N1186 PolarHBondContact O-N 2.83Å; Y1183-I1187 HydrophobicContact CD1-CD1 3.76Å; Y1183-I1187 HydrophobicContact CE1-CD1 3.34Å; Y1183-I1187 HydrophobicContact CE1-CG1 4.45Å; Y1183-I1187 HydrophobicContact CE2-CD1 4.25Å; Y1183-I1187 HydrophobicContact CG-CD1 4.38Å; Y1183-I1187 WeakPolarHBondContact O-CG1 3.3Å; Y1183-I1187 PolarHBondContact O-N 2.87Å
1184	N	37	Very low	39	Very low	67 Å²	67	103.7 Å²	103.7	36%	0.358	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-34.4	174.2	-83.8	-81	0	0	0	112.6	Y1180 K1188	Y1180-N1184 WeakPolarHBondContact CE1-ND2 3.37Å; Y1180-N1184 WeakPolarHBondContact O-CB 3.29Å; Y1180-N1184 PolarHBondContact O-N 3.1Å; Y1180-N1184 PolarHBondContact O-ND2 3.31Å; N1184-K1188 WeakPolarHBondContact O-CB 3.41Å; N1184-K1188 PolarHBondContact O-N 3.24Å
1185	S	37.3	Very low	40.2	Very low	63 Å²	63	98.8 Å²	98.8	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-42.3	174.7	-62	0	0	0	0	111.6	I1181 Q1182 Y1183 K1188 L1189	I1181-S1185 VanDerWaalsContact O-CB 3.25Å; I1181-S1185 WeakPolarHBondContact O-CB 3.44Å; I1181-S1185 PolarHBondContact O-N 2.76Å; I1181-S1185 PolarHBondContact O-OG 2.84Å; Q1182-S1185 PolarHBondContact O-N 2.78Å; Y1183-S1185 VanDerWaalsContact C-N 3.28Å; Y1183-S1185 PolarHBondContact O-N 3.22Å; S1185-K1188 PolarHBondContact O-N 2.93Å; S1185-L1189 VanDerWaalsContact O-CB 3.3Å; S1185-L1189 WeakPolarHBondContact O-CB 3.3Å; S1185-L1189 PolarHBondContact O-N 3.19Å
1186	N	38.3	Very low	41	Very low	82 Å²	82	99.9 Å²	99.9	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-70.5	-40.3	177.1	-75	-15.4	0	0	0	112.3	Q1182 Y1183 K1188 L1189 N1190	Q1182-N1186 WeakPolarHBondContact O-CB 3.35Å; Q1182-N1186 PolarHBondContact O-N 2.99Å; Y1183-N1186 PolarHBondContact O-N 2.83Å; N1186-K1188 VanDerWaalsContact C-N 3.31Å; N1186-K1188 PolarHBondContact O-N 3.32Å; N1186-L1189 PolarHBondContact O-N 3.08Å; N1186-N1190 VanDerWaalsContact O-CB 3.26Å; N1186-N1190 WeakPolarHBondContact O-CB 3.06Å; N1186-N1190 VanDerWaalsContact O-CG 3.26Å; N1186-N1190 PolarHBondContact O-N 3.23Å
1187	I	44.5	Very low	41.5	Very low	81 Å²	81	98.4 Å²	98.4	42%	0.415	48%	0.484	S	S	.	.	H	α-helix	trans	-58.2	-46	170.4	-75.4	174.9	0	0	0	110.2	Y1183 N1190 H1191	Y1183-I1187 HydrophobicContact CD1-CD1 3.76Å; Y1183-I1187 HydrophobicContact CE1-CD1 3.34Å; Y1183-I1187 HydrophobicContact CE1-CG1 4.45Å; Y1183-I1187 HydrophobicContact CE2-CD1 4.25Å; Y1183-I1187 HydrophobicContact CG-CD1 4.38Å; Y1183-I1187 WeakPolarHBondContact O-CG1 3.3Å; Y1183-I1187 PolarHBondContact O-N 2.87Å; I1187-N1190 PolarHBondContact O-N 3.34Å; I1187-H1191 WeakPolarHBondContact O-CB 3.43Å; I1187-H1191 PolarHBondContact O-N 3.25Å
1188	K	43.7	Very low	42.1	Very low	153 Å²	153	98.8 Å²	98.8	67%	0.665	49%	0.486	S	S	*	.	H	α-helix	trans	-67.9	-37.2	-180	-164.3	167.6	-169.1	164.8	0	112.2	N1184 S1185 N1186 E1192	N1184-K1188 WeakPolarHBondContact O-CB 3.41Å; N1184-K1188 PolarHBondContact O-N 3.24Å; S1185-K1188 PolarHBondContact O-N 2.93Å; N1186-K1188 VanDerWaalsContact C-N 3.31Å; N1186-K1188 PolarHBondContact O-N 3.32Å; K1188-E1192 WeakPolarHBondContact O-CG 3.31Å; K1188-E1192 PolarHBondContact O-N 3.4Å; K1188-E1192 VanDerWaalsContact O-N 3.09Å
1189	L	44.7	Very low	42.8	Very low	102 Å²	102	98.8 Å²	98.8	53%	0.534	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-49.5	173.5	-169.1	76	0	0	0	111	S1185 N1186 H1191 E1192 I1193	S1185-L1189 VanDerWaalsContact O-CB 3.3Å; S1185-L1189 WeakPolarHBondContact O-CB 3.3Å; S1185-L1189 PolarHBondContact O-N 3.19Å; N1186-L1189 PolarHBondContact O-N 3.08Å; L1189-H1191 VanDerWaalsContact C-N 3.35Å; L1189-H1191 PolarHBondContact O-N 2.89Å; L1189-E1192 PolarHBondContact O-N 2.96Å; L1189-I1193 HydrophobicContact CD2-CD1 4.28Å; L1189-I1193 HydrophobicContact CG-CD1 3.93Å; L1189-I1193 WeakPolarHBondContact O-CB 3.25Å; L1189-I1193 VanDerWaalsContact O-CG1 3.28Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.02Å; L1189-I1193 PolarHBondContact O-N 3.29Å
1190	N	41.5	Very low	43	Very low	86 Å²	86	98.9 Å²	98.9	46%	0.46	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-38.5	178.4	-73.2	-7.3	0	0	0	111.6	N1186 I1187 I1193 N1194	N1186-N1190 VanDerWaalsContact O-CB 3.26Å; N1186-N1190 WeakPolarHBondContact O-CB 3.06Å; N1186-N1190 VanDerWaalsContact O-CG 3.26Å; N1186-N1190 PolarHBondContact O-N 3.23Å; I1187-N1190 PolarHBondContact O-N 3.34Å; N1190-I1193 PolarHBondContact O-N 2.8Å; N1190-N1194 VanDerWaalsContact O-CB 3.29Å; N1190-N1194 WeakPolarHBondContact O-CB 3.33Å; N1190-N1194 PolarHBondContact O-N 3.43Å; N1190-N1194 PolarHBondContact O-OD1 2.77Å; N1190-N1194 VanDerWaalsContact O-OD1 3.13Å
1191	H	48.7	Very low	43.4	Very low	107 Å²	107	96.3 Å²	96.3	50%	0.495	48%	0.475	S	S	.	.	H	α-helix	trans	-68	-35	176.3	-172.7	60	0	0	0	112.4	I1187 L1189 K1195	I1187-H1191 WeakPolarHBondContact O-CB 3.43Å; I1187-H1191 PolarHBondContact O-N 3.25Å; L1189-H1191 VanDerWaalsContact C-N 3.35Å; L1189-H1191 PolarHBondContact O-N 2.89Å; H1191-K1195 VanDerWaalsContact CD2-CE 3.42Å; H1191-K1195 WeakPolarHBondContact CD2-CE 3.09Å; H1191-K1195 PolarHBondContact CD2-NZ 3.49Å; H1191-K1195 WeakPolarHBondContact NE2-CE 3.48Å; H1191-K1195 PolarHBondContact NE2-NZ 3.17Å; H1191-K1195 WeakPolarHBondContact O-CB 3.43Å; H1191-K1195 VanDerWaalsContact O-CG 3.27Å; H1191-K1195 WeakPolarHBondContact O-CG 3.38Å; H1191-K1195 PolarHBondContact O-N 2.96Å
1192	E	45	Very low	43.7	Very low	94 Å²	94	94.4 Å²	94.4	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-75.2	-32.8	170.9	-66.7	-60.8	124.2	0	0	112.8	K1188 L1189 K1195 L1196	K1188-E1192 WeakPolarHBondContact O-CG 3.31Å; K1188-E1192 PolarHBondContact O-N 3.4Å; K1188-E1192 VanDerWaalsContact O-N 3.09Å; L1189-E1192 PolarHBondContact O-N 2.96Å; E1192-K1195 PolarHBondContact O-N 3.23Å; E1192-K1195 WeakPolarHBondContact OE1-CD 3.43Å; E1192-K1195 IonicContact OE1-NZ 3.78Å; E1192-K1195 PolarHBondContact OE1-NZ 3.12Å; E1192-L1196 WeakPolarHBondContact O-CB 3.35Å; E1192-L1196 VanDerWaalsContact O-CG 3.26Å; E1192-L1196 WeakPolarHBondContact O-CG 3.42Å; E1192-L1196 PolarHBondContact O-N 3.32Å
1193	I	51	Low	43.9	Very low	54 Å²	54	93.1 Å²	93.1	28%	0.277	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-48.5	170.5	-73.1	166.1	0	0	0	110.1	L1189 N1190 K1195 L1196 Q1197	L1189-I1193 HydrophobicContact CD2-CD1 4.28Å; L1189-I1193 HydrophobicContact CG-CD1 3.93Å; L1189-I1193 WeakPolarHBondContact O-CB 3.25Å; L1189-I1193 VanDerWaalsContact O-CG1 3.28Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.02Å; L1189-I1193 PolarHBondContact O-N 3.29Å; N1190-I1193 PolarHBondContact O-N 2.8Å; I1193-K1195 VanDerWaalsContact C-N 3.34Å; I1193-K1195 PolarHBondContact O-N 2.83Å; I1193-L1196 CarbonylContact O-C 3.58Å; I1193-L1196 PolarHBondContact O-N 2.81Å; I1193-L1196 VanDerWaalsContact O-N 3.09Å; I1193-Q1197 HydrophobicContact CG2-CG 4.34Å; I1193-Q1197 WeakPolarHBondContact O-CB 3.11Å; I1193-Q1197 WeakPolarHBondContact O-CG 3.35Å; I1193-Q1197 PolarHBondContact O-N 3Å
1194	N	46.6	Very low	44	Very low	80 Å²	80	89.1 Å²	89.1	43%	0.428	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-39.5	178.4	-67.5	5.1	0	0	0	110.8	N1190 Q1197 I1198	N1190-N1194 VanDerWaalsContact O-CB 3.29Å; N1190-N1194 WeakPolarHBondContact O-CB 3.33Å; N1190-N1194 PolarHBondContact O-N 3.43Å; N1190-N1194 PolarHBondContact O-OD1 2.77Å; N1190-N1194 VanDerWaalsContact O-OD1 3.13Å; N1194-Q1197 PolarHBondContact O-N 2.98Å; N1194-Q1197 PolarHBondContact OD1-OE1 3.47Å; N1194-I1198 VanDerWaalsContact O-CB 3.32Å; N1194-I1198 WeakPolarHBondContact O-CB 3.06Å; N1194-I1198 WeakPolarHBondContact O-CD1 3.42Å; N1194-I1198 WeakPolarHBondContact O-CG1 3.3Å; N1194-I1198 PolarHBondContact O-N 3.1Å
1195	K	52.7	Low	44.2	Very low	78 Å²	78	92.8 Å²	92.8	34%	0.339	48%	0.482	S	S	.	.	H	α-helix	trans	-60.1	-46.1	169.8	-78.2	171	-165.1	165.2	0	112.2	H1191 E1192 I1193 I1198 I1199	H1191-K1195 VanDerWaalsContact CD2-CE 3.42Å; H1191-K1195 WeakPolarHBondContact CD2-CE 3.09Å; H1191-K1195 PolarHBondContact CD2-NZ 3.49Å; H1191-K1195 WeakPolarHBondContact NE2-CE 3.48Å; H1191-K1195 PolarHBondContact NE2-NZ 3.17Å; H1191-K1195 WeakPolarHBondContact O-CB 3.43Å; H1191-K1195 VanDerWaalsContact O-CG 3.27Å; H1191-K1195 WeakPolarHBondContact O-CG 3.38Å; H1191-K1195 PolarHBondContact O-N 2.96Å; E1192-K1195 PolarHBondContact O-N 3.23Å; E1192-K1195 WeakPolarHBondContact OE1-CD 3.43Å; E1192-K1195 IonicContact OE1-NZ 3.78Å; E1192-K1195 PolarHBondContact OE1-NZ 3.12Å; I1193-K1195 VanDerWaalsContact C-N 3.34Å; I1193-K1195 PolarHBondContact O-N 2.83Å; K1195-I1198 PolarHBondContact O-N 3.02Å; K1195-I1199 VanDerWaalsContact O-CB 3.3Å; K1195-I1199 WeakPolarHBondContact O-CB 3.45Å; K1195-I1199 WeakPolarHBondContact O-CD1 3.2Å; K1195-I1199 WeakPolarHBondContact O-CG1 3.4Å; K1195-I1199 PolarHBondContact O-N 3.11Å
1196	L	49.2	Very low	44.1	Very low	95 Å²	95	91.6 Å²	91.6	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-64.1	-42.2	178.4	-74.2	167.9	0	0	0	111.3	E1192 I1193 I1199 H1200	E1192-L1196 WeakPolarHBondContact O-CB 3.35Å; E1192-L1196 VanDerWaalsContact O-CG 3.26Å; E1192-L1196 WeakPolarHBondContact O-CG 3.42Å; E1192-L1196 PolarHBondContact O-N 3.32Å; I1193-L1196 CarbonylContact O-C 3.58Å; I1193-L1196 PolarHBondContact O-N 2.81Å; I1193-L1196 VanDerWaalsContact O-N 3.09Å; L1196-I1199 PolarHBondContact O-N 2.88Å; L1196-H1200 WeakPolarHBondContact O-CB 2.87Å; L1196-H1200 PolarHBondContact O-CD2 3.21Å; L1196-H1200 PolarHBondContact O-N 3.4Å
1197	Q	42.8	Very low	43.9	Very low	99 Å²	99	94.8 Å²	94.8	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-47.3	174.1	-73.9	170.2	-27.5	0	0	111.6	I1193 N1194 I1199 H1200 L1201	I1193-Q1197 HydrophobicContact CG2-CG 4.34Å; I1193-Q1197 WeakPolarHBondContact O-CB 3.11Å; I1193-Q1197 WeakPolarHBondContact O-CG 3.35Å; I1193-Q1197 PolarHBondContact O-N 3Å; N1194-Q1197 PolarHBondContact O-N 2.98Å; N1194-Q1197 PolarHBondContact OD1-OE1 3.47Å; Q1197-I1199 VanDerWaalsContact C-N 3.34Å; Q1197-I1199 PolarHBondContact O-N 3.08Å; Q1197-H1200 PolarHBondContact O-N 3.42Å; Q1197-L1201 WeakPolarHBondContact O-CB 2.97Å; Q1197-L1201 WeakPolarHBondContact O-CG 3.19Å; Q1197-L1201 PolarHBondContact O-N 3.34Å
1198	I	48.7	Very low	43.4	Very low	105 Å²	105	95.4 Å²	95.4	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-41.1	175.9	-70.7	163.7	0	0	0	111.1	N1194 K1195 T1202	N1194-I1198 VanDerWaalsContact O-CB 3.32Å; N1194-I1198 WeakPolarHBondContact O-CB 3.06Å; N1194-I1198 WeakPolarHBondContact O-CD1 3.42Å; N1194-I1198 WeakPolarHBondContact O-CG1 3.3Å; N1194-I1198 PolarHBondContact O-N 3.1Å; K1195-I1198 PolarHBondContact O-N 3.02Å; I1198-T1202 WeakPolarHBondContact O-CB 3.15Å; I1198-T1202 PolarHBondContact O-N 2.92Å; I1198-T1202 PolarHBondContact O-OG1 3.29Å
1199	I	46.4	Very low	42.6	Very low	87 Å²	87	94 Å²	94	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-42	174.7	-72.1	164.5	0	0	0	110.8	K1195 L1196 Q1197 N1203	K1195-I1199 VanDerWaalsContact O-CB 3.3Å; K1195-I1199 WeakPolarHBondContact O-CB 3.45Å; K1195-I1199 WeakPolarHBondContact O-CD1 3.2Å; K1195-I1199 WeakPolarHBondContact O-CG1 3.4Å; K1195-I1199 PolarHBondContact O-N 3.11Å; L1196-I1199 PolarHBondContact O-N 2.88Å; Q1197-I1199 VanDerWaalsContact C-N 3.34Å; Q1197-I1199 PolarHBondContact O-N 3.08Å; I1199-N1203 VanDerWaalsContact O-CB 3.29Å; I1199-N1203 WeakPolarHBondContact O-CB 3.44Å; I1199-N1203 PolarHBondContact O-N 2.74Å; I1199-N1203 PolarHBondContact O-ND2 3.44Å
1200	H	39.6	Very low	42	Very low	109 Å²	109	98.3 Å²	98.3	51%	0.505	52%	0.52	S	S	.	.	H	α-helix	trans	-69.4	-41.5	177.9	-87.8	-77.5	0	0	0	112.7	L1196 Q1197 N1203 A1204	L1196-H1200 WeakPolarHBondContact O-CB 2.87Å; L1196-H1200 PolarHBondContact O-CD2 3.21Å; L1196-H1200 PolarHBondContact O-N 3.4Å; Q1197-H1200 PolarHBondContact O-N 3.42Å; H1200-N1203 PolarHBondContact O-N 2.9Å; H1200-A1204 VanDerWaalsContact O-CB 3.29Å; H1200-A1204 WeakPolarHBondContact O-CB 3.37Å; H1200-A1204 PolarHBondContact O-N 2.91Å
1201	L	44.8	Very low	41.4	Very low	105 Å²	105	103.5 Å²	103.5	55%	0.55	54%	0.541	S	S	.	.	H	α-helix	trans	-61.7	-47.1	172	-76.5	163.1	0	0	0	111	Q1197 N1203 A1204 I1205	Q1197-L1201 WeakPolarHBondContact O-CB 2.97Å; Q1197-L1201 WeakPolarHBondContact O-CG 3.19Å; Q1197-L1201 PolarHBondContact O-N 3.34Å; L1201-N1203 VanDerWaalsContact C-N 3.32Å; L1201-N1203 PolarHBondContact O-N 2.91Å; L1201-A1204 PolarHBondContact O-N 3.27Å; L1201-I1205 WeakPolarHBondContact O-CB 3.14Å; L1201-I1205 VanDerWaalsContact O-CG1 3.29Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.45Å; L1201-I1205 PolarHBondContact O-N 2.98Å
1202	T	41.4	Very low	40.4	Very low	60 Å²	60	104.1 Å²	104.1	37%	0.368	56%	0.558	S	S	.	*	H	α-helix	trans	-59.1	-44	176	-59.6	0	0	0	0	110.9	I1198 I1206	I1198-T1202 WeakPolarHBondContact O-CB 3.15Å; I1198-T1202 PolarHBondContact O-N 2.92Å; I1198-T1202 PolarHBondContact O-OG1 3.29Å; T1202-I1206 HydrophobicContact CG2-CD1 3.64Å; T1202-I1206 WeakPolarHBondContact O-CB 3.14Å; T1202-I1206 WeakPolarHBondContact O-CD1 3.34Å; T1202-I1206 WeakPolarHBondContact O-CG1 3.28Å; T1202-I1206 PolarHBondContact O-N 2.76Å
1203	N	39.1	Very low	39.7	Very low	94 Å²	94	105 Å²	105	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-72.7	-26.4	177.9	-68.4	-22.1	0	0	0	113.5	I1199 H1200 L1201	I1199-N1203 VanDerWaalsContact O-CB 3.29Å; I1199-N1203 WeakPolarHBondContact O-CB 3.44Å; I1199-N1203 PolarHBondContact O-N 2.74Å; I1199-N1203 PolarHBondContact O-ND2 3.44Å; H1200-N1203 PolarHBondContact O-N 2.9Å; L1201-N1203 VanDerWaalsContact C-N 3.32Å; L1201-N1203 PolarHBondContact O-N 2.91Å
1204	A	41.3	Very low	38.7	Very low	71 Å²	71	110.8 Å²	110.8	59%	0.587	61%	0.605	S	S	*	*	H	α-helix	trans	-75.5	-37.4	175.1	0	0	0	0	0	112.2	H1200 L1201 I1206	H1200-A1204 VanDerWaalsContact O-CB 3.29Å; H1200-A1204 WeakPolarHBondContact O-CB 3.37Å; H1200-A1204 PolarHBondContact O-N 2.91Å; L1201-A1204 PolarHBondContact O-N 3.27Å; A1204-I1206 PolarHBondContact O-N 3.42Å
1205	I	41	Very low	37.9	Very low	144 Å²	144	115.8 Å²	115.8	74%	0.738	62%	0.623	S	S	*	*	S	Bend	trans	-74.4	-9.6	175.7	-64.7	164.9	0	0	0	111.4	L1201	L1201-I1205 WeakPolarHBondContact O-CB 3.14Å; L1201-I1205 VanDerWaalsContact O-CG1 3.29Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.45Å; L1201-I1205 PolarHBondContact O-N 2.98Å
1206	I	35.5	Very low	36.8	Very low	38 Å²	38	121.4 Å²	121.4	20%	0.195	65%	0.65	C	S	.	*			trans	-119.1	73.7	-179.3	-56.7	166	0	0	0	110.7	Y533 T1202 A1204	Y533-I1206 HydrophobicContact CE1-CD1 3.7Å; Y533-I1206 HydrophobicContact CE1-CG1 3.95Å; Y533-I1206 HydrophobicContact CE1-CG2 4.06Å; Y533-I1206 WeakPolarHBondContact OH-CG2 3.08Å; T1202-I1206 HydrophobicContact CG2-CD1 3.64Å; T1202-I1206 WeakPolarHBondContact O-CB 3.14Å; T1202-I1206 WeakPolarHBondContact O-CD1 3.34Å; T1202-I1206 WeakPolarHBondContact O-CG1 3.28Å; T1202-I1206 PolarHBondContact O-N 2.76Å; A1204-I1206 PolarHBondContact O-N 3.42Å
1207	L	33.7	Very low	35.9	Very low	148 Å²	148	124 Å²	124	78%	0.775	66%	0.664	S	S	*	*			trans	-129.6	107.9	162.5	-80.3	173.4	0	0	0	110.2
1208	P	33.3	Very low	35.2	Very low	94 Å²	94	125 Å²	125	61%	0.61	68%	0.679	S	S	*	*			trans	-73.9	132.5	178.6	29.6	-33.3	0	0	0	111.2	K1210	P1208-K1210 PolarHBondContact O-N 3Å; P1208-K1210 VanDerWaalsContact O-N 3.1Å
1209	S	27.5	Very low	34.1	Very low	125 Å²	125	130.6 Å²	130.6	87%	0.874	70%	0.695	S	S	*	*			trans	-65.7	104.4	-176.8	40	0	0	0	0	113.3
1210	K	31.1	Very low	33.2	Very low	191 Å²	191	134.4 Å²	134.4	83%	0.83	71%	0.711	S	S	*	*			trans	-150.6	94.4	165.7	-78.8	-162.7	175	-172.3	0	112.4	P1208	P1208-K1210 PolarHBondContact O-N 3Å; P1208-K1210 VanDerWaalsContact O-N 3.1Å
1211	Q	29.7	Very low	32.5	Very low	195 Å²	195	138.6 Å²	138.6	91%	0.911	72%	0.723	S	S	*	*			trans	-170.4	99.7	144.1	-109.7	166.3	23.7	0	0	111.5
1212	S	28	Very low	31.7	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	72%	0.724	S	S	*	*			trans	-137.6	70.2	170.8	46.5	0	0	0	0	110
1213	S	29.9	Very low	31.1	Very low	111 Å²	111	141 Å²	141	78%	0.776	74%	0.735	S	S	*	*			trans	-166.9	62.5	171.1	58	0	0	0	0	109.8	K1215	S1213-K1215 PolarHBondContact O-N 3.48Å
1214	L	29.7	Very low	30.7	Very low	177 Å²	177	142.2 Å²	142.2	93%	0.927	74%	0.741	S	S	*	*			trans	-78	119.7	176	-137.7	166.8	0	0	0	108.6
1215	K	30.4	Very low	30.4	Very low	184 Å²	184	144.4 Å²	144.4	80%	0.8	74%	0.743	S	S	*	*			trans	-37.8	128.6	-172	-56.6	168.9	-179.4	177.9	0	114.4	S1213	S1213-K1215 PolarHBondContact O-N 3.48Å
1216	Q	30.4	Very low	30	Very low	196 Å²	196	143.7 Å²	143.7	92%	0.916	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-82	148.7	140.2	-80.1	-173.3	-20.3	0	0	109.2
1217	L	28.4	Very low	29.8	Very low	149 Å²	149	146.4 Å²	146.4	78%	0.78	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-80	149.8	-179.3	-71.5	159.6	0	0	0	110.5
1218	P	28.1	Very low	29.7	Very low	120 Å²	120	143.8 Å²	143.8	78%	0.779	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-69.6	136.5	166.6	31.4	-32.6	0	0	0	109.3
1219	Y	27.4	Very low	29.5	Very low	224 Å²	224	145.5 Å²	145.5	88%	0.878	76%	0.755	S	S	*	*			trans	-124.4	124	156.6	-115.3	-87.4	0	0	0	108.6
1220	E	25.6	Very low	29.8	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	75%	0.752	S	S	*	*			trans	-67.5	138.1	165	-55.5	174.2	157.3	0	0	108.1
1221	Y	25.3	Very low	29.8	Very low	196 Å²	196	140.8 Å²	140.8	77%	0.769	74%	0.737	S	S	*	*				-161.4	153.5	105.1	-132.3	-140.7	0	0	0	111.9
1222	N	27.9	Very low	30.1	Very low	105 Å²	105	136.2 Å²	136.2	56%	0.561	72%	0.723	S	S	*	*			trans	26.5	140.9	134	-80.7	10.1	0	0	0	120.4
1223	N	29.6	Very low	30.6	Very low	111 Å²	111	135.2 Å²	135.2	59%	0.594	71%	0.712	S	S	*	*			cis	-172.8	168.3	-7	-138.6	-18	0	0	0	107.8
1224	N	30.9	Very low	31.1	Very low	120 Å²	120	135.5 Å²	135.5	64%	0.642	71%	0.709	S	S	*	*			trans	63.1	154	155.1	-61.2	-19.6	0	0	0	116
1225	N	34.2	Very low	31.7	Very low	116 Å²	116	132.2 Å²	132.2	62%	0.62	70%	0.696	S	S	*	*			cis	-144.5	160.1	-20.9	-109.3	-25.7	0	0	0	105
1226	N	32.6	Very low	32.1	Very low	129 Å²	129	129.3 Å²	129.3	69%	0.69	69%	0.694	S	S	*	*				38.1	129.8	82.1	-71	-27	0	0	0	112.3
1227	T	32.5	Very low	32.5	Very low	95 Å²	95	125 Å²	125	58%	0.583	68%	0.682	S	S	*	*			cis	-167.8	162.4	15.5	0.4	0	0	0	0	110
1228	N	32.1	Very low	32.7	Very low	94 Å²	94	123 Å²	123	50%	0.503	68%	0.675	S	S	.	*			trans	57.7	119.7	136.1	-65.3	-7.9	0	0	0	122.3	T1230 T1231	N1228-T1230 WeakPolarHBondContact CB-O 3.39Å; N1228-T1231 WeakPolarHBondContact CB-O 3.15Å; N1228-T1231 CarbonylContact O-C 3.38Å; N1228-T1231 VanDerWaalsContact O-C 3.27Å
1229	T	28.5	Very low	32.9	Very low	129 Å²	129	122.5 Å²	122.5	79%	0.791	67%	0.67	S	S	*	*	S	Bend	trans	-145	117.2	132.3	42.2	0	0	0	0	108.4
1230	T	33.7	Very low	33.2	Very low	132 Å²	132	117.8 Å²	117.8	81%	0.81	66%	0.66	S	S	*	*	S	Bend	cis	-54.9	133.5	-8.6	44	0	0	0	0	112.9	N1228	N1228-T1230 WeakPolarHBondContact CB-O 3.39Å
1231	T	31.2	Very low	33.5	Very low	85 Å²	85	115.3 Å²	115.3	52%	0.521	65%	0.653	S	S	.	*	S	Bend	cis	-118.3	155.8	-9.9	52.6	0	0	0	0	113.3	N1228	N1228-T1231 WeakPolarHBondContact CB-O 3.15Å; N1228-T1231 CarbonylContact O-C 3.38Å; N1228-T1231 VanDerWaalsContact O-C 3.27Å
1232	T	34.8	Very low	33.8	Very low	99 Å²	99	112 Å²	112	61%	0.607	65%	0.648	S	S	*	*			trans	75.9	89.9	153.4	42.2	0	0	0	0	121.6
1233	T	38.4	Very low	34	Very low	100 Å²	100	114.5 Å²	114.5	61%	0.613	66%	0.662	S	S	*	*				67	120	114.8	55.2	0	0	0	0	122.9
1234	T	41.7	Very low	34.2	Very low	118 Å²	118	113 Å²	113	72%	0.724	67%	0.672	S	S	*	*				61.6	152.6	128.7	64.2	0	0	0	0	121.3
1235	T	41.8	Very low	34.3	Very low	107 Å²	107	114.5 Å²	114.5	66%	0.656	68%	0.68	S	S	*	*			cis	-172.3	136.3	-16.7	31.4	0	0	0	0	107.5
1236	T	39.4	Very low	34.1	Very low	123 Å²	123	115.3 Å²	115.3	76%	0.755	68%	0.684	S	S	*	*			trans	52.6	-177.8	145.9	70.7	0	0	0	0	117.5
1237	T	37.7	Very low	33.9	Very low	107 Å²	107	116 Å²	116	66%	0.656	69%	0.688	S	S	*	*			cis	-152.8	132	-2.7	-10.5	0	0	0	0	109.8
1238	T	33.9	Very low	33.9	Very low	105 Å²	105	118 Å²	118	64%	0.644	70%	0.695	S	S	*	*			trans	47.2	137.6	133.7	57.5	0	0	0	0	124.1
1239	T	32.6	Very low	33.7	Very low	111 Å²	111	120.6 Å²	120.6	68%	0.681	71%	0.709	S	S	*	*			trans	75.5	152.6	131.9	59.7	0	0	0	0	119.4
1240	N	32.7	Very low	33.9	Very low	125 Å²	125	118.8 Å²	118.8	67%	0.668	71%	0.707	S	S	*	*			cis	-160.6	166.6	-5.2	-121.5	-3.3	0	0	0	114.1
1241	N	31.9	Very low	33.7	Very low	115 Å²	115	117.8 Å²	117.8	62%	0.615	70%	0.701	S	S	*	*			trans	67	129.3	139.3	-71.1	5.3	0	0	0	124
1242	N	32.5	Very low	33.6	Very low	126 Å²	126	125.6 Å²	125.6	67%	0.674	72%	0.721	S	S	*	*				84.2	131.4	130	-64.8	3.5	0	0	0	122.8
1243	N	31.8	Very low	33.5	Very low	158 Å²	158	127 Å²	127	85%	0.845	73%	0.725	S	S	*	*			trans	57.2	123.2	140.1	-59.4	-2.3	0	0	0	120.5
1244	G	32.9	Very low	33.4	Very low	78 Å²	78	128.2 Å²	128.2	80%	0.804	74%	0.737	S	S	*	*			trans	-174	121.6	161	0	0	0	0	0	111.4
1245	N	33.2	Very low	32.9	Very low	153 Å²	153	129.7 Å²	129.7	82%	0.818	74%	0.74	S	S	*	*			trans	-84.3	152.5	173.5	-81.4	-27.2	0	0	0	111.2
1246	N	29.5	Very low	32.4	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	75%	0.745	S	S	*	*			trans	33.7	130	143.8	-57.3	-9.5	0	0	0	120.8
1247	N	28.8	Very low	32	Very low	144 Å²	144	129.8 Å²	129.8	77%	0.77	74%	0.738	S	S	*	*			trans	68.9	142.5	155.3	-52.4	0.1	0	0	0	114.8
1248	D	32.1	Very low	31.7	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	75%	0.748	S	S	*	*			cis	-153.5	-176	30	-135.2	-52.2	0	0	0	113.7
1249	N	28	Very low	31.4	Very low	149 Å²	149	134 Å²	134	80%	0.797	76%	0.755	S	S	*	*			trans	-57	142.7	-178.3	-68.6	-92	0	0	0	116.1
1250	A	32.4	Very low	31.4	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	76%	0.756	S	S	*	*				-174.5	116.4	127	0	0	0	0	0	114.9
1251	T	30.7	Very low	31.4	Very low	111 Å²	111	135.4 Å²	135.4	68%	0.681	76%	0.758	S	S	*	*			trans	42.8	125.5	132.5	-48.1	0	0	0	0	121.6
1252	W	29.4	Very low	31.3	Very low	249 Å²	249	137.1 Å²	137.1	94%	0.943	77%	0.766	S	S	*	*				-163.9	146.5	121.9	-103.2	97.5	0	0	0	110.3
1253	N	31.3	Very low	31.2	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	78%	0.777	S	S	*	*			trans	-111.2	144.4	-165.2	-62.7	-73.2	0	0	0	114.1
1254	S	35.9	Very low	31.2	Very low	124 Å²	124	141.9 Å²	141.9	87%	0.867	77%	0.774	S	S	*	*			trans	-166.3	156.9	140.9	-86.1	0	0	0	0	112.9
1255	L	31.8	Very low	31.3	Very low	149 Å²	149	147 Å²	147	78%	0.78	77%	0.774	S	S	*	*			trans	-97.4	176.1	-167.4	-106.6	75.2	0	0	0	113
1256	P	31.8	Very low	31.2	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	78%	0.775	S	S	*	*			cis	-122.7	155.3	15.8	26.9	-4.9	0	0	0	117.7
1257	N	30	Very low	31.2	Very low	113 Å²	113	150.7 Å²	150.7	60%	0.604	79%	0.785	S	S	*	*			trans	-111.5	125.4	174.4	-78.4	-79.3	0	0	0	110.6
1258	E	31.6	Very low	31.3	Very low	187 Å²	187	149.3 Å²	149.3	87%	0.874	78%	0.781	S	S	*	*			trans	-125.4	-14.2	171.9	-69.7	-164.7	136.1	0	0	115.6
1259	C	28.5	Very low	31.1	Very low	115 Å²	115	146.3 Å²	146.3	78%	0.777	77%	0.771	S	S	*	*	S	Bend	trans	-103.6	-3.7	-176.4	-72.3	0	0	0	0	116.4
1260	N	32	Very low	31.3	Very low	133 Å²	133	145 Å²	145	71%	0.711	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	10.9	-173.8	-85.6	-27.5	0	0	0	115.8
1261	N	32.2	Very low	31.4	Very low	131 Å²	131	148.6 Å²	148.6	70%	0.701	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	-0.8	-177.6	-87.3	-34.1	0	0	0	115.7
1262	L	31	Very low	31.6	Very low	152 Å²	152	148 Å²	148	80%	0.796	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-11.2	-179.2	-84.7	164.3	0	0	0	114.9
1263	F	29.8	Very low	31.8	Very low	205 Å²	205	145.2 Å²	145.2	90%	0.899	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	17.1	-178.9	-81.8	-80.3	0	0	0	114.9
1264	K	32.9	Very low	32	Very low	179 Å²	179	148 Å²	148	78%	0.778	77%	0.769	S	S	*	*	S	Bend	trans	-111.4	28.3	-178.3	-90.1	-173.3	171.8	-179.1	0	115
1265	K	35	Very low	31.9	Very low	186 Å²	186	150.7 Å²	150.7	81%	0.809	77%	0.767	S	S	*	*	S	Bend	trans	-140.1	19.3	-176.9	-81.6	-162	172	-174.2	0	116.7
1266	F	29.6	Very low	31.9	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.833	77%	0.766	S	S	*	*			trans	-136.8	89.7	171.8	-77.8	-76.9	0	0	0	111.1	V1268	F1266-V1268 PolarHBondContact O-N 3.19Å
1267	D	29.7	Very low	31.9	Very low	173 Å²	173	148.5 Å²	148.5	93%	0.925	77%	0.765	S	S	*	*			trans	-69.4	116	163.4	-64.6	-61.4	0	0	0	109
1268	V	31.3	Very low	32.1	Very low	115 Å²	115	154.7 Å²	154.7	70%	0.697	80%	0.797	S	S	*	*			trans	-131.9	134.7	172.7	-175.9	0	0	0	0	108	F1266	F1266-V1268 PolarHBondContact O-N 3.19Å
1269	S	28.5	Very low	32.1	Very low	73 Å²	73	153.1 Å²	153.1	51%	0.51	79%	0.793	S	S	.	*			trans	-56.8	142	-164.1	-178.7	0	0	0	0	114.3	H1271	S1269-H1271 PolarHBondContact O-N 2.68Å
1270	P	32.8	Very low	32.3	Very low	122 Å²	122	155.1 Å²	155.1	79%	0.792	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-55.2	-12.3	175.6	-27.5	35.5	0	0	0	116	V1272	P1270-V1272 VanDerWaalsContact C-N 3.27Å; P1270-V1272 PolarHBondContact O-N 2.69Å
1271	H	33.5	Very low	32.3	Very low	165 Å²	165	156.3 Å²	156.3	76%	0.764	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-70.5	-15.2	-174.4	-128.1	-77	0	0	0	115.2	S1269	S1269-H1271 PolarHBondContact O-N 2.68Å
1272	V	35	Very low	32.4	Very low	97 Å²	97	157.8 Å²	157.8	59%	0.588	80%	0.804	S	S	*	*	G	3₁₀ helix	trans	-79.9	-28.7	-174.4	-176.1	0	0	0	0	112.8	P1270 K1274	P1270-V1272 VanDerWaalsContact C-N 3.27Å; P1270-V1272 PolarHBondContact O-N 2.69Å; V1272-K1274 VanDerWaalsContact C-N 3.27Å; V1272-K1274 PolarHBondContact O-N 3.22Å
1273	F	33.3	Very low	32.4	Very low	191 Å²	191	158.2 Å²	158.2	84%	0.838	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-80.2	5.5	-173.1	-90	-83.1	0	0	0	115.5
1274	K	36.1	Very low	32.6	Very low	190 Å²	190	155.1 Å²	155.1	83%	0.826	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-102.4	5.6	-176.4	-150	176.2	-179.6	178.6	0	114.8	V1272	V1272-K1274 VanDerWaalsContact C-N 3.27Å; V1272-K1274 PolarHBondContact O-N 3.22Å
1275	H	33.4	Very low	32.6	Very low	180 Å²	180	153.4 Å²	153.4	83%	0.833	80%	0.8	S	S	*	*	S	Bend	trans	-121.8	3.3	-176.4	-109.2	-74.9	0	0	0	115.4
1276	I	32.9	Very low	32.4	Very low	149 Å²	149	150.8 Å²	150.8	76%	0.764	80%	0.799	S	S	*	*			trans	-129.5	97	172.1	-54	176.7	0	0	0	106.1
1277	G	30.6	Very low	32.6	Very low	72 Å²	72	147.6 Å²	147.6	74%	0.742	80%	0.796	S	S	*	*			trans	-129	111.1	-177.9	0	0	0	0	0	110
1278	L	34.8	Very low	32.9	Very low	244 Å²	244	145.3 Å²	145.3	100%	1.277	79%	0.785	S	S	*	*			trans	64.1	0	-168.9	-58.3	173.6	0	0	0	112.8

Retrieved 1,278 of 1,278 residues in 752.4 ms (Link to these results)

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