A0A5K4FCJ1_SCHMA Loading...

Zf-C2H2_12 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,161 aa.

						>A0A5K4FCJ1_SCHMA|A0A5K4FCJ1
MSTNHDVYKPSSILSSESIDLKMQNYENNWSTLNNHDCTWTSSCNTSVVSDTSSNYTSEYYKPISSNANNLCSISIHDPSSSALNEYLYNGSNIFQSLKSINTPSINTYNNTNGDPLDYSIHSSMNSLKDPIMTFNQSHIQLQSNYIHSSINQMNQDESSYLLKNTTTSINSSINTQMNNGQLLKRKYSKNISNLSRKYNGKQLKTENIKNIDLNHSIISNYDNSNDNNNNSNDNNSNSNNNNCNVITQFNNNNNQLITNSISKENYLFTKNKYKKTNSITRKKSKINKNIQINNHEIINNISTIITTIDYSISKNIINENNNENKIHTTNTTTTTTSTTTTTTNNNNNNNVIKKTTDCRAAYKYLTWREKDRRRRFREEWKHLWLVIPYGLYEVMCLVCHKVMTQRKVDTIKRHTVRRHVELIGMSESEREKLFNQLIKQYTMLGVANYNSSTDIPNILHRKSDCLHQSDPTKNCDEISNVKSSSEILTNDFNNTNKCLLEKHSIMNRLKNIDTKNDSLMSRDSDFRHPLAKQDKQLDRKLYQTTKMTPRYSRNSCSKKYRTLPEVKQDRSITEDLKGLSKLMPEDWDDPSIFQKSFPLQNSPTDTPRHYCNRLEYPHNEDRFYIGTLGSKVMPSSTNSMMPSFSPFSTVVPISKCSSCIYPSKSENFHNFLKSYVSMNSLLSSPNMPTSSISSLLMPQIFSTLNNSYKLSTSMKSTSSLCTNNDISCHTGSGNRDNNNNSTSANESHRNYRLSPTEIQTTVNDYRKRSNQLLDSSINTQMSLTNDILTNNIKNIKVPCIQQFSTQNIYKDSHSPNLQISPNSSIPGSLPFMMSTFMTDLLKHEKDDGILPKMPESRINTLVNKRNSVHMSNPELFNDCPNDHKTSDRKTNFISREGEHVVNPSGIKSNSKSKSNSGSKQFTISSLLNIENLSSENKASSATHHDELIPDIQKKDTISLGCNCPNWSTQNPQEKRKTGQLPIPCVLCNSESANNCTDEVSKQFISNVTSGDNLFRSNTGSIDISITKQIDAFRERQSAFSSPTGLPNVSVNRKLLEHYTSIPELYQSYTDIFHLIYCLKNQIPINCLSNSNTFHNQNSGALETYMKSYYLELLRHQYDVPSTDLSTQRIPTTLCSSIHKENELVNFKKCTNELQKSSIID
					

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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	36.1	Very low	30.9	Very low	236 Å²	236	143.1 Å²	143.1	100%	1.163	76%	0.757	S	S	*	*				0	101.8	0	-56.2	171.1	94.4	0	0	105.1
2	S	26.7	Very low	30.5	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	76%	0.755	S	S	*	*			cis	66.5	125.9	46.1	-146.5	0	0	0	0	110.5
3	T	33.8	Very low	30.2	Very low	114 Å²	114	141.9 Å²	141.9	70%	0.699	76%	0.762	S	S	*	*			cis	-148	137.5	2.1	-15.9	0	0	0	0	106.7
4	N	28.7	Very low	30.2	Very low	124 Å²	124	144.3 Å²	144.3	66%	0.663	77%	0.773	S	S	*	*				63	132.7	51.5	-113.3	41.9	0	0	0	114.1
5	H	29.5	Very low	30.1	Very low	138 Å²	138	142.5 Å²	142.5	64%	0.639	78%	0.776	S	S	*	*			trans	71.3	147.3	163.6	-57.6	-58.1	0	0	0	117.9
6	D	30	Very low	29.9	Very low	127 Å²	127	140.8 Å²	140.8	68%	0.679	78%	0.778	S	S	*	*			cis	-163.5	169.7	-16.1	-113.5	-6.7	0	0	0	113.8
7	V	31.2	Very low	29.9	Very low	102 Å²	102	143.2 Å²	143.2	62%	0.618	78%	0.782	S	S	*	*			trans	47.6	126.3	141.6	173.8	0	0	0	0	120.3
8	Y	33.2	Very low	29.8	Very low	231 Å²	231	140.5 Å²	140.5	91%	0.906	78%	0.776	S	S	*	*				-155.2	136	113.6	-103.7	-72.7	0	0	0	112.6
9	K	31	Very low	29.8	Very low	187 Å²	187	140.9 Å²	140.9	81%	0.813	78%	0.775	S	S	*	*			trans	-111.7	-177.1	173	-101	-171.8	175.1	-170.6	0	108
10	P	31	Very low	29.7	Very low	114 Å²	114	141 Å²	141	74%	0.74	77%	0.774	S	S	*	*			cis	-105.4	-141.4	-3.7	20.3	5.1	0	0	0	109.7
11	S	28.6	Very low	29.7	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	77%	0.774	S	S	*	*			cis	-149.4	158.2	5.4	-61	0	0	0	0	108.2
12	S	26.8	Very low	29.5	Very low	105 Å²	105	139 Å²	139	73%	0.734	76%	0.758	S	S	*	*			cis	91.7	52.8	17.9	88	0	0	0	0	118.2
13	I	26.1	Very low	29.5	Very low	166 Å²	166	142.4 Å²	142.4	85%	0.851	76%	0.764	S	S	*	*			trans	-137.1	113	151.2	-55.8	178.3	0	0	0	109.1
14	L	29.7	Very low	29.3	Very low	175 Å²	175	145.1 Å²	145.1	92%	0.916	77%	0.769	S	S	*	*			trans	179.6	104.4	145	-104.3	163.4	0	0	0	107.5
15	S	28.8	Very low	29.2	Very low	117 Å²	117	144 Å²	144	82%	0.818	76%	0.763	S	S	*	*			trans	-79.2	156.2	175.4	45.8	0	0	0	0	111.4
16	S	26.5	Very low	29.1	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	75%	0.75	S	S	*	*			trans	-83.4	117.5	-176.8	53.7	0	0	0	0	114
17	E	31.2	Very low	29.1	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	75%	0.754	S	S	*	*			trans	-136.3	113.8	146	-74.2	177.7	146.4	0	0	104.6
18	S	28.1	Very low	29	Very low	95 Å²	95	143 Å²	143	66%	0.664	75%	0.748	S	S	*	*			cis	73.7	139.7	47.6	92	0	0	0	0	113.2
19	I	29.6	Very low	28.8	Very low	148 Å²	148	138.3 Å²	138.3	76%	0.759	74%	0.738	S	S	*	*			trans	86	105.5	176.4	-53.9	165.6	0	0	0	116.4
20	D	27.6	Very low	28.7	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	75%	0.745	S	S	*	*			trans	40.8	129.3	142	-53.6	-18.1	0	0	0	122.7
21	L	30.3	Very low	28.6	Very low	147 Å²	147	140.8 Å²	140.8	77%	0.77	74%	0.743	S	S	*	*				-171.5	125.1	96.5	-95.9	165	0	0	0	114.4
22	K	32.1	Very low	28.6	Very low	189 Å²	189	141.9 Å²	141.9	82%	0.822	75%	0.746	S	S	*	*			trans	57.9	105.7	149.8	-70.8	174	-176.2	172.8	0	121.2
23	M	25.7	Very low	28.6	Very low	176 Å²	176	144.3 Å²	144.3	87%	0.867	75%	0.749	S	S	*	*			trans	-59.1	170.4	138.4	-83.9	-80	-175.5	0	0	112.7
24	Q	28.8	Very low	28.8	Very low	170 Å²	170	142.4 Å²	142.4	79%	0.794	74%	0.741	S	S	*	*			trans	72.3	100.7	170.5	-56.6	179.1	-17.3	0	0	117.3
25	N	27.6	Very low	28.7	Very low	102 Å²	102	141.6 Å²	141.6	55%	0.545	74%	0.738	S	S	.	*				166.2	90	103.9	-88.8	-68	0	0	0	112.7	T978	N25-T978 WeakPolarHBondContact CB-OG1 3.45Å; N25-T978 PolarHBondContact O-OG1 3.4Å
26	Y	28	Very low	28.7	Very low	91 Å²	91	144.7 Å²	144.7	36%	0.357	74%	0.739	S	S	.	*			trans	-150.7	78.7	149.4	-97.2	-58.9	0	0	0	112.6	T978 G979 L981	Y26-T978 WeakPolarHBondContact CD2-O 3.46Å; Y26-T978 WeakPolarHBondContact CE2-O 3.35Å; Y26-T978 PolarHBondContact OH-N 2.98Å; Y26-G979 WeakPolarHBondContact CE2-O 3.49Å; Y26-G979 PolarHBondContact OH-N 3.48Å; Y26-L981 HydrophobicContact CD2-CD1 3.84Å; Y26-L981 HydrophobicContact CD2-CG 4.26Å; Y26-L981 HydrophobicContact CG-CD1 4.17Å
27	E	29.5	Very low	28.7	Very low	164 Å²	164	146.3 Å²	146.3	77%	0.766	74%	0.738	S	S	*	*			trans	-100.3	158.9	134.6	-67.3	179.3	140.5	0	0	107.5
28	N	29.8	Very low	28.3	Very low	90 Å²	90	142.8 Å²	142.8	48%	0.481	73%	0.733	S	S	.	*			trans	71.1	79.6	-174.8	-39.1	-103.7	0	0	0	115.4	K977	N28-K977 VanDerWaalsContact CB-NZ 3.25Å; N28-K977 PolarHBondContact ND2-NZ 2.8Å
29	N	28.3	Very low	28.2	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	73%	0.731	S	S	*	*				-126.8	9.3	128.5	-111.5	10.1	0	0	0	112	S31	N29-S31 PolarHBondContact O-N 2.86Å
30	W	28.7	Very low	27.9	Very low	255 Å²	255	145.8 Å²	145.8	97%	0.966	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	87.6	168.8	-79.6	64.5	0	0	0	109.3
31	S	28.6	Very low	27.8	Very low	98 Å²	98	143 Å²	143	69%	0.685	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177	-8.8	164.2	13	0	0	0	0	116.6	N29	N29-S31 PolarHBondContact O-N 2.86Å
32	T	29.6	Very low	27.8	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	70%	0.702	S	S	*	*	S	Bend	trans	-126.6	29.2	-171.7	47.5	0	0	0	0	115.4
33	L	26.8	Very low	27.7	Very low	155 Å²	155	132.9 Å²	132.9	81%	0.812	69%	0.686	S	S	*	*	S	Bend	trans	-145.3	158.6	158.9	-136.5	76.7	0	0	0	108.6
34	N	29.9	Very low	27.8	Very low	126 Å²	126	128 Å²	128	67%	0.674	67%	0.668	S	S	*	*			trans	65.6	36.3	175.9	-58.6	20.5	0	0	0	116.6
35	N	27.1	Very low	27.9	Very low	159 Å²	159	124.8 Å²	124.8	85%	0.85	66%	0.656	S	S	*	*			trans	-85.4	85.8	136.8	-96.8	-2.1	0	0	0	107.3
36	H	29.9	Very low	28.1	Very low	181 Å²	181	126.6 Å²	126.6	84%	0.838	67%	0.671	S	S	*	*			trans	-177.5	128.5	158.5	-95.1	-58.7	0	0	0	109.2
37	D	25	Very low	28.2	Very low	149 Å²	149	127.1 Å²	127.1	80%	0.797	69%	0.688	S	S	*	*			trans	-68.3	173.9	165.7	-49.6	-91.8	0	0	0	111.8
38	C	24.4	Very low	28.3	Very low	108 Å²	108	125.9 Å²	125.9	73%	0.73	69%	0.691	S	S	*	*			trans	105.3	106	164.8	-58.2	0	0	0	0	119.8
39	T	24.7	Very low	28.4	Very low	104 Å²	104	127.2 Å²	127.2	64%	0.638	70%	0.703	S	S	*	*				34.7	133.2	125.3	55.7	0	0	0	0	124.2	N994	T39-N994 PolarHBondContact O-ND2 3.22Å
40	W	23.8	Very low	28.6	Very low	202 Å²	202	126.5 Å²	126.5	77%	0.765	71%	0.708	S	S	*	*			trans	78.8	106.1	133.1	-84.7	62	0	0	0	124.9	N994	W40-N994 VanDerWaalsContact C-CG 3.42Å; W40-N994 PolarHBondContact O-ND2 2.74Å; W40-N994 PolarHBondContact O-OD1 2.84Å
41	T	25.3	Very low	29	Very low	85 Å²	85	120.9 Å²	120.9	52%	0.521	70%	0.697	S	S	.	*				79.6	157.2	129.6	62.3	0	0	0	0	125.9	N994 N995	T41-N994 PolarHBondContact N-OD1 2.83Å; T41-N994 VanDerWaalsContact N-OD1 3.13Å; T41-N994 WeakPolarHBondContact O-CA 3.26Å; T41-N995 PolarHBondContact O-N 3.46Å
42	S	30.2	Very low	29.2	Very low	56 Å²	56	122.7 Å²	122.7	39%	0.392	70%	0.704	S	S	.	*			trans	78.7	176.3	157.1	-144.5	0	0	0	0	119.7	C996 T997	S42-C996 VanDerWaalsContact OG-C 3.32Å; S42-T997 PolarHBondContact OG-N 3Å
43	S	29.2	Very low	29.4	Very low	67 Å²	67	122 Å²	122	47%	0.469	70%	0.704	S	S	.	*				-151.9	-154.3	-92.2	55.3	0	0	0	0	110.5	C996 D998	S43-C996 CarbonylContact C-O 3.09Å; S43-C996 VanDerWaalsContact N-N 3.14Å; S43-C996 PolarHBondContact N-O 2.92Å; S43-C996 PolarHBondContact O-N 2.99Å; S43-C996 VanDerWaalsContact O-O 3.08Å; S43-C996 PolarHBondContact OG-O 3.45Å; S43-D998 PolarHBondContact OG-N 2.75Å; S43-D998 VanDerWaalsContact OG-N 3.12Å
44	C	29	Very low	29.7	Very low	74 Å²	74	119.5 Å²	119.5	50%	0.5	70%	0.7	S	S	.	*			cis	-166.3	166.5	17.4	72.2	0	0	0	0	117.1	T997	C44-T997 WeakPolarHBondContact CB-O 3.09Å; C44-T997 PolarHBondContact SG-O 2.86Å
45	N	30.6	Very low	29.8	Very low	101 Å²	101	120.3 Å²	120.3	54%	0.54	70%	0.704	S	S	.	*			trans	55.5	145.5	132.8	-64.9	-6	0	0	0	130.5	D998 E999	N45-D998 PolarHBondContact ND2-O 3.18Å; N45-E999 PolarHBondContact ND2-N 3.41Å; N45-E999 VanDerWaalsContact ND2-N 3.12Å
46	T	31.2	Very low	30.1	Very low	141 Å²	141	122.8 Å²	122.8	87%	0.865	70%	0.703	S	S	*	*			trans	170.9	169.5	147.3	21.3	0	0	0	0	109
47	S	31.4	Very low	30.2	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	70%	0.701	S	S	*	*			cis	-172.5	170.9	-40.3	58.5	0	0	0	0	107
48	V	31.2	Very low	30.6	Very low	137 Å²	137	118.6 Å²	118.6	83%	0.83	70%	0.7	S	S	*	*			cis	-147.5	-162.1	9.5	-147.9	0	0	0	0	109.4
49	V	32.1	Very low	31	Very low	119 Å²	119	120.4 Å²	120.4	72%	0.721	70%	0.698	S	S	*	*			trans	-145.1	155.3	-173.8	-158	0	0	0	0	113.9
50	S	32.8	Very low	31.4	Very low	117 Å²	117	123.5 Å²	123.5	82%	0.818	70%	0.699	S	S	*	*			trans	-171.7	148.3	168.2	-75.4	0	0	0	0	114.3
51	D	35.5	Very low	31.8	Very low	136 Å²	136	124.1 Å²	124.1	73%	0.727	70%	0.702	S	S	*	*			trans	-153.7	167.9	-166.7	-66.2	-78.3	0	0	0	116.8
52	T	34.4	Very low	32.4	Very low	136 Å²	136	129.1 Å²	129.1	83%	0.834	72%	0.717	S	S	*	*				171.7	109.4	127.2	32.1	0	0	0	0	120.3
53	S	33.3	Very low	32.5	Very low	106 Å²	106	132 Å²	132	74%	0.741	73%	0.734	S	S	*	*			trans	65.9	136.5	133.9	63.4	0	0	0	0	129.9
54	S	33.3	Very low	32.6	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	75%	0.751	S	S	*	*			trans	93.6	159.4	146.2	80	0	0	0	0	122.5
55	N	32	Very low	32.7	Very low	142 Å²	142	138.2 Å²	138.2	76%	0.759	77%	0.765	S	S	*	*			cis	-172	169.8	-27.8	-93.4	-11	0	0	0	115.4
56	Y	33.4	Very low	32.9	Very low	212 Å²	212	138.1 Å²	138.1	83%	0.831	77%	0.771	S	S	*	*			trans	89	163.5	159.6	-74.9	-66.8	0	0	0	124.9
57	T	32	Very low	32.9	Very low	132 Å²	132	139 Å²	139	81%	0.81	77%	0.771	S	S	*	*			trans	-150.9	174.9	-140.7	51.9	0	0	0	0	119.4
58	S	33.1	Very low	33.1	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	77%	0.767	S	S	*	*			trans	125	162.6	157	-167.3	0	0	0	0	117.1
59	E	32.4	Very low	33.2	Very low	147 Å²	147	138 Å²	138	69%	0.687	76%	0.763	S	S	*	*				-161.9	169.7	-70.2	-98.3	-161.6	132.1	0	0	111.9
60	Y	33.4	Very low	33.2	Very low	169 Å²	169	138.6 Å²	138.6	66%	0.663	76%	0.762	S	S	*	*			trans	115.8	132.1	147	-73.9	-66.9	0	0	0	127.9
61	Y	33	Very low	33	Very low	214 Å²	214	140.4 Å²	140.4	84%	0.839	76%	0.762	S	S	*	*			trans	73.9	149.7	150.1	-74.6	-60.3	0	0	0	126.2
62	K	36.5	Very low	32.7	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	76%	0.76	S	S	*	*			trans	-163.2	152.6	-170.3	-173	178.9	179.6	-178.4	0	115.7
63	P	33.3	Very low	32.5	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	75%	0.752	S	S	*	*			trans	-112.5	-176.6	174.4	41.4	-33.3	0	0	0	117.1
64	I	31.6	Very low	32.1	Very low	161 Å²	161	138.9 Å²	138.9	83%	0.826	75%	0.753	S	S	*	*			trans	-152.9	167.1	-162.9	-91.6	171.5	0	0	0	114.7
65	S	31.1	Very low	31.8	Very low	112 Å²	112	139 Å²	139	78%	0.783	75%	0.754	S	S	*	*			trans	83.9	149.5	160.8	68.2	0	0	0	0	120.9
66	S	33.8	Very low	31.5	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	75%	0.749	S	S	*	*			cis	-166.2	156.8	-8.7	43.9	0	0	0	0	115.5
67	N	32.4	Very low	31.3	Very low	160 Å²	160	134.9 Å²	134.9	86%	0.856	74%	0.74	S	S	*	*			trans	62.6	151.8	148.5	-70.4	4.2	0	0	0	123.3
68	A	33.6	Very low	31	Very low	75 Å²	75	133.1 Å²	133.1	62%	0.62	73%	0.726	S	S	*	*			cis	-171.4	170.8	-19.7	0	0	0	0	0	114.1
69	N	33.4	Very low	31	Very low	142 Å²	142	131.6 Å²	131.6	76%	0.759	71%	0.713	S	S	*	*			trans	99.8	116.1	152.8	-61.2	-17.1	0	0	0	123.4
70	N	32.7	Very low	30.9	Very low	132 Å²	132	129.3 Å²	129.3	71%	0.706	71%	0.714	S	S	*	*			trans	69.1	108.2	139.3	-60.1	-1.5	0	0	0	121.1
71	L	29	Very low	30.7	Very low	156 Å²	156	126.9 Å²	126.9	82%	0.817	72%	0.721	S	S	*	*				92.6	139.1	77.3	-103.4	78.3	0	0	0	113.2
72	C	28.8	Very low	30.4	Very low	100 Å²	100	122 Å²	122	68%	0.676	72%	0.719	S	S	*	*			cis	-159.7	158.6	4.7	-153.8	0	0	0	0	113.7
73	S	29.7	Very low	30.2	Very low	95 Å²	95	117.9 Å²	117.9	66%	0.664	72%	0.72	S	S	*	*			trans	40.8	133.3	149.5	53.2	0	0	0	0	122.3
74	I	26.4	Very low	29.8	Very low	151 Å²	151	120 Å²	120	77%	0.774	72%	0.724	S	S	*	*			cis	65.1	118	15.7	-46.3	178.1	0	0	0	113.8	I76	I74-I76 HydrophobicContact CG2-CD1 4Å
75	S	26.4	Very low	29.5	Very low	105 Å²	105	118.9 Å²	118.9	73%	0.734	72%	0.72	S	S	*	*				-164.2	152.4	73	52.3	0	0	0	0	111.6
76	I	25.7	Very low	29.5	Very low	128 Å²	128	122.8 Å²	122.8	66%	0.656	73%	0.726	S	S	*	*				65.7	122.8	62.7	-50.6	156.6	0	0	0	114.5	I74	I74-I76 HydrophobicContact CG2-CD1 4Å
77	H	29	Very low	29.2	Very low	141 Å²	141	126.7 Å²	126.7	65%	0.653	73%	0.727	S	S	*	*				-173.3	114.5	125.6	-133.9	-68.3	0	0	0	118.2	I1160 D1161	H77-I1160 CarbonylContact O-C 3.55Å; H77-I1160 VanDerWaalsContact O-C 3.32Å; H77-I1160 VanDerWaalsContact O-O 3.11Å; H77-D1161 WeakPolarHBondContact CA-OD2 3.26Å; H77-D1161 PolarHBondContact N-OD2 3.39Å; H77-D1161 PolarHBondContact O-N 3.49Å
78	D	26.2	Very low	28.9	Very low	94 Å²	94	127 Å²	127	50%	0.503	73%	0.728	S	S	.	*			trans	-57.6	-176	161.2	-126.9	-40.3	0	0	0	112.5	D1161	D78-D1161 VanDerWaalsContact CA-OD1 3.28Å; D78-D1161 WeakPolarHBondContact CA-OD1 3.09Å; D78-D1161 PolarHBondContact N-OD1 3.05Å; D78-D1161 PolarHBondContact N-OD2 3.09Å
79	P	33.4	Very low	28.7	Very low	77 Å²	77	133.6 Å²	133.6	50%	0.5	74%	0.738	S	S	.	*			cis	-145.4	178	-11.8	41	-21.5	0	0	0	117.5
80	S	28.7	Very low	28.4	Very low	99 Å²	99	132 Å²	132	69%	0.692	73%	0.729	S	S	*	*			trans	46.1	146.7	137.4	78.3	0	0	0	0	124.5
81	S	29.4	Very low	28.2	Very low	118 Å²	118	128.7 Å²	128.7	83%	0.825	73%	0.726	S	S	*	*				165.8	158.9	104.8	56	0	0	0	0	116.4
82	S	27.5	Very low	28.4	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	72%	0.715	S	S	*	*			trans	-57.9	151.6	-172	53.8	0	0	0	0	120.1
83	A	31.4	Very low	28.4	Very low	104 Å²	104	124.5 Å²	124.5	86%	0.86	71%	0.705	S	S	*	*			trans	-144.2	129.5	138.8	0	0	0	0	0	110.8
84	L	26	Very low	28.4	Very low	159 Å²	159	126.3 Å²	126.3	83%	0.832	71%	0.705	S	S	*	*			trans	-91.2	145.3	-179.7	-68.6	163.6	0	0	0	111.5
85	N	25.9	Very low	28.5	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	71%	0.706	S	S	*	*			trans	166.3	78	136.8	-85.7	-26.9	0	0	0	111.6	Y87	N85-Y87 HydrophobicContact CB-CE2 4.41Å
86	E	29.6	Very low	28.7	Very low	194 Å²	194	129.3 Å²	129.3	91%	0.907	70%	0.702	S	S	*	*			trans	-93	121.5	160.8	-168.7	164.7	-142.3	0	0	109.4
87	Y	27.7	Very low	28.9	Very low	181 Å²	181	127.3 Å²	127.3	71%	0.71	70%	0.699	S	S	*	*			trans	-78.6	133	-170.7	-79.3	-109.6	0	0	0	111.8	N85 Y89	N85-Y87 HydrophobicContact CB-CE2 4.41Å; Y87-Y89 PolarHBondContact O-N 2.95Å
88	L	26.1	Very low	28.8	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	70%	0.703	S	S	*	*			trans	-62.8	100.6	167	-79	79.9	0	0	0	110.1
89	Y	30.3	Very low	29.1	Very low	213 Å²	213	132 Å²	132	84%	0.835	72%	0.72	S	S	*	*			trans	-99.3	120.8	173	-114.1	-88.2	0	0	0	112.4	Y87 G91	Y87-Y89 PolarHBondContact O-N 2.95Å; Y89-G91 PolarHBondContact O-N 3.39Å
90	N	26.7	Very low	28.9	Very low	108 Å²	108	132.8 Å²	132.8	58%	0.578	73%	0.727	S	S	*	*			trans	-74.5	92.1	-168.5	-76.6	-63.8	0	0	0	113.7	S92	N90-S92 PolarHBondContact O-N 3.44Å
91	G	28.8	Very low	28.8	Very low	63 Å²	63	134.1 Å²	134.1	65%	0.649	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-63.3	-22	165	0	0	0	0	0	113.9	Y89 N93	Y89-G91 PolarHBondContact O-N 3.39Å; G91-N93 VanDerWaalsContact C-N 3.29Å; G91-N93 PolarHBondContact O-N 2.96Å
92	S	32.6	Very low	28.6	Very low	81 Å²	81	136.1 Å²	136.1	57%	0.566	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-63.8	-23.6	-172.4	-49.9	0	0	0	0	115.6	N90	N90-S92 PolarHBondContact O-N 3.44Å
93	N	29.9	Very low	28.5	Very low	87 Å²	87	136.7 Å²	136.7	47%	0.465	73%	0.725	S	S	.	*	G	3₁₀ helix	trans	-95.9	-18.8	-164.3	-69.3	-0.3	0	0	0	114.6	G91 F95 Q96 S97	G91-N93 VanDerWaalsContact C-N 3.29Å; G91-N93 PolarHBondContact O-N 2.96Å; N93-F95 VanDerWaalsContact C-N 3.33Å; N93-F95 PolarHBondContact O-N 2.62Å; N93-Q96 PolarHBondContact O-N 2.74Å; N93-S97 PolarHBondContact O-OG 3.1Å
94	I	28.8	Very low	28.1	Very low	133 Å²	133	137.4 Å²	137.4	68%	0.682	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-27.5	-175.8	-62.7	179.4	0	0	0	112.2
95	F	28.7	Very low	28	Very low	180 Å²	180	134.4 Å²	134.4	79%	0.789	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-10	174.9	-92.9	-82.5	0	0	0	114.8	N93	N93-F95 VanDerWaalsContact C-N 3.33Å; N93-F95 PolarHBondContact O-N 2.62Å
96	Q	31.2	Very low	27.9	Very low	140 Å²	140	134.5 Å²	134.5	65%	0.654	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-32.3	177.8	-67.4	-170.9	-6.2	0	0	112.4	N93 L98 K99	N93-Q96 PolarHBondContact O-N 2.74Å; Q96-L98 PolarHBondContact O-N 3.26Å; Q96-K99 PolarHBondContact O-N 3.49Å; Q96-K99 VanDerWaalsContact O-N 3.11Å
97	S	28.5	Very low	27.8	Very low	85 Å²	85	131.6 Å²	131.6	59%	0.594	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-11.4	178.1	-53.6	0	0	0	0	115.2	N93	N93-S97 PolarHBondContact O-OG 3.1Å
98	L	28.5	Very low	27.7	Very low	139 Å²	139	128.8 Å²	128.8	73%	0.728	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-0.9	176.4	-71.5	175.2	0	0	0	114.1	Q96	Q96-L98 PolarHBondContact O-N 3.26Å
99	K	32.6	Very low	27.9	Very low	196 Å²	196	129.5 Å²	129.5	85%	0.852	70%	0.697	S	S	*	*	S	Bend	trans	-105	7.7	-174.7	-143.1	176.5	-176.5	-179.5	0	114.9	Q96	Q96-K99 PolarHBondContact O-N 3.49Å; Q96-K99 VanDerWaalsContact O-N 3.11Å
100	S	27.4	Very low	27.8	Very low	93 Å²	93	125.9 Å²	125.9	65%	0.65	69%	0.692	S	S	*	*	S	Bend	trans	-127.5	8	-174.7	52.2	0	0	0	0	115.1
101	I	27.5	Very low	27.8	Very low	127 Å²	127	128.6 Å²	128.6	65%	0.651	71%	0.707	S	S	*	*			trans	-92.6	110.9	171.5	-61.8	-179.6	0	0	0	109.7	T103	I101-T103 PolarHBondContact O-N 3.25Å
102	N	25.7	Very low	28	Very low	160 Å²	160	131.3 Å²	131.3	86%	0.856	71%	0.711	S	S	*	*			trans	-62.3	116.2	175.4	-68.6	-48.4	0	0	0	111.6
103	T	24.4	Very low	28.1	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	73%	0.728	S	S	*	*			trans	-138.1	152.4	160.6	39.2	0	0	0	0	110	I101	I101-T103 PolarHBondContact O-N 3.25Å
104	P	22.8	Very low	28.2	Very low	119 Å²	119	134.3 Å²	134.3	77%	0.773	74%	0.735	S	S	*	*			trans	-93.7	154.8	-135.2	33.1	-37.2	0	0	0	117.6
105	S	24.1	Very low	28.6	Very low	97 Å²	97	133 Å²	133	68%	0.678	73%	0.729	S	S	*	*			trans	-13.3	149.6	157.4	62.3	0	0	0	0	120.8
106	I	24.1	Very low	29.3	Very low	140 Å²	140	127.7 Å²	127.7	72%	0.718	71%	0.713	S	S	*	*			trans	80.5	99.9	161.3	-54.8	153	0	0	0	115.9
107	N	27.4	Very low	29.8	Very low	132 Å²	132	125.8 Å²	125.8	71%	0.706	71%	0.707	S	S	*	*			trans	-147.7	73.1	137.1	-109.5	-46.8	0	0	0	109.6	Y109	N107-Y109 PolarHBondContact O-N 3.36Å
108	T	25.2	Very low	30.2	Very low	123 Å²	123	128.3 Å²	128.3	76%	0.755	71%	0.714	S	S	*	*			trans	-66.6	97.5	171.2	6.4	0	0	0	0	109.5
109	Y	30	Very low	30.9	Very low	181 Å²	181	126.8 Å²	126.8	71%	0.71	70%	0.699	S	S	*	*			trans	-91.1	124.9	166.5	-91.6	-94	0	0	0	109.7	N107	N107-Y109 PolarHBondContact O-N 3.36Å
110	N	28.8	Very low	31.1	Very low	136 Å²	136	120.7 Å²	120.7	73%	0.727	68%	0.681	S	S	*	*			trans	-68.6	139.5	-162.6	-66	-41.1	0	0	0	113.5	T112	N110-T112 PolarHBondContact O-N 3.09Å; N110-T112 VanDerWaalsContact O-N 3.08Å
111	N	26.5	Very low	31.6	Very low	166 Å²	166	121.5 Å²	121.5	89%	0.888	68%	0.677	S	S	*	*			trans	-53	115.6	160.5	-97.7	-10.7	0	0	0	109.5
112	T	33.5	Very low	31.9	Very low	119 Å²	119	120.7 Å²	120.7	73%	0.73	67%	0.67	S	S	*	*			trans	-132.8	139.6	160.1	48.9	0	0	0	0	106.8	N110 G114	N110-T112 PolarHBondContact O-N 3.09Å; N110-T112 VanDerWaalsContact O-N 3.08Å; T112-G114 PolarHBondContact O-N 3.1Å
113	N	34.8	Very low	32.4	Very low	172 Å²	172	118.1 Å²	118.1	92%	0.92	66%	0.664	S	S	*	*			trans	-75.8	69.9	-174.7	-63.8	-4.1	0	0	0	109.9
114	G	31.5	Very low	33	Very low	60 Å²	60	116.6 Å²	116.6	62%	0.619	66%	0.659	S	S	*	*			trans	-74.5	127.9	-178.1	0	0	0	0	0	111.4	T112	T112-G114 PolarHBondContact O-N 3.1Å
115	D	38.4	Very low	33.4	Very low	105 Å²	105	118.6 Å²	118.6	56%	0.561	66%	0.66	S	S	*	*			trans	-53.8	123	174.1	-168.3	-2.9	0	0	0	110.2	L117 D118	D115-L117 PolarHBondContact O-N 3.13Å; D115-L117 WeakPolarHBondContact OD1-CD1 3.28Å; D115-L117 VanDerWaalsContact OD1-CG 3.28Å; D115-L117 WeakPolarHBondContact OD1-CG 3.34Å; D115-D118 PolarHBondContact O-N 3.29Å
116	P	43.5	Very low	33.9	Very low	68 Å²	68	121 Å²	121	44%	0.442	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	40.5	-175	31.1	-37.4	0	0	0	113.5	Y119	P116-Y119 WeakPolarHBondContact O-CE2 2.98Å
117	L	40.5	Very low	34.3	Very low	101 Å²	101	117.8 Å²	117.8	53%	0.529	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.7	-22.2	-173.9	-59.9	-176.9	0	0	0	112.7	D115 Y119	D115-L117 PolarHBondContact O-N 3.13Å; D115-L117 WeakPolarHBondContact OD1-CD1 3.28Å; D115-L117 VanDerWaalsContact OD1-CG 3.28Å; D115-L117 WeakPolarHBondContact OD1-CG 3.34Å; L117-Y119 PolarHBondContact O-N 3.12Å
118	D	38.1	Very low	34.6	Very low	138 Å²	138	119 Å²	119	74%	0.738	66%	0.661	S	S	*	*			trans	-96.2	72.4	-175	-163.8	6.8	0	0	0	114.5	D115 S120	D115-D118 PolarHBondContact O-N 3.29Å; D118-S120 VanDerWaalsContact C-N 3.26Å; D118-S120 PolarHBondContact O-N 3.04Å
119	Y	42.9	Very low	34.9	Very low	106 Å²	106	122.6 Å²	122.6	42%	0.416	67%	0.666	S	S	.	*			trans	-81	62.8	176.9	-64.9	-79.8	0	0	0	113.1	P116 L117 I121 L384	P116-Y119 WeakPolarHBondContact O-CE2 2.98Å; L117-Y119 PolarHBondContact O-N 3.12Å; Y119-I121 PolarHBondContact O-N 2.74Å; Y119-L384 WeakPolarHBondContact OH-CD1 3.48Å
120	S	35.7	Very low	34.8	Very low	69 Å²	69	120.8 Å²	120.8	48%	0.483	67%	0.669	S	S	.	*			trans	-87.2	100.2	175.1	-168.2	0	0	0	0	111.7	D118 H122	D118-S120 VanDerWaalsContact C-N 3.26Å; D118-S120 PolarHBondContact O-N 3.04Å; S120-H122 PolarHBondContact O-N 3.3Å
121	I	38.8	Very low	34.9	Very low	109 Å²	109	120.6 Å²	120.6	56%	0.559	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	41.9	-168.9	-34.1	178.4	0	0	0	113.5	Y119	Y119-I121 PolarHBondContact O-N 2.74Å
122	H	33.6	Very low	34.9	Very low	111 Å²	111	119.3 Å²	119.3	51%	0.514	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.1	-0.2	-175.6	-70.7	-55.3	0	0	0	115.2	S120 C359	S120-H122 PolarHBondContact O-N 3.3Å; H122-C359 WeakPolarHBondContact NE2-CB 3.2Å; H122-C359 PolarHBondContact NE2-SG 3.27Å
123	S	35.6	Very low	34.5	Very low	105 Å²	105	122.9 Å²	122.9	73%	0.734	68%	0.677	S	S	*	*	S	Bend	trans	-78.8	-25.9	179.5	41.1	0	0	0	0	114.2
124	S	37.2	Very low	34.1	Very low	91 Å²	91	119.3 Å²	119.3	64%	0.636	66%	0.662	S	S	*	*	S	Bend	trans	-101.6	-2.6	-167	48.9	0	0	0	0	116.8
125	M	31.9	Very low	33.9	Very low	162 Å²	162	124.8 Å²	124.8	80%	0.798	67%	0.669	S	S	*	*	S	Bend	trans	-102.6	6.3	-175.6	-70.4	-150.4	76.1	0	0	116.1
126	N	33.8	Very low	33.4	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	68%	0.681	S	S	*	*			trans	-104.3	19.8	-172.5	-72.3	-56.4	0	0	0	114.9
127	S	33.2	Very low	32.7	Very low	74 Å²	74	130.4 Å²	130.4	52%	0.517	69%	0.691	S	S	.	*	S	Bend	trans	-104.8	-7.7	-177.5	54.4	0	0	0	0	115.6
128	L	34	Very low	32.3	Very low	158 Å²	158	130.2 Å²	130.2	83%	0.827	70%	0.698	S	S	*	*			trans	-109.4	140	165.5	-85.6	79.6	0	0	0	110.2
129	K	31.7	Very low	32	Very low	197 Å²	197	127.6 Å²	127.6	86%	0.857	68%	0.681	S	S	*	*			trans	-108.4	155.4	168.7	-73.8	178.1	177.2	173.7	0	109.5
130	D	27.1	Very low	31.4	Very low	144 Å²	144	129 Å²	129	77%	0.77	69%	0.694	S	S	*	*			trans	-62.9	161.9	-175	-40.1	-92.7	0	0	0	113.5	I132	D130-I132 HydrophobicContact CB-CG1 4.49Å
131	P	30	Very low	31.1	Very low	132 Å²	132	128.2 Å²	128.2	86%	0.857	68%	0.683	S	S	*	*				-117.1	140.9	112.1	33.2	-33.4	0	0	0	114
132	I	26.8	Very low	30.6	Very low	138 Å²	138	129.3 Å²	129.3	71%	0.708	69%	0.69	S	S	*	*			trans	-75.9	142.2	-166.4	-63.7	153.5	0	0	0	113.8	D130 T134	D130-I132 HydrophobicContact CB-CG1 4.49Å; I132-T134 HydrophobicContact CG2-CG2 4.35Å
133	M	25.5	Very low	30.4	Very low	195 Å²	195	127.6 Å²	127.6	96%	0.961	68%	0.682	S	S	*	*			trans	-144.8	141.9	140.1	-83	-152.9	164.8	0	0	111.8
134	T	26.4	Very low	30.2	Very low	96 Å²	96	125.9 Å²	125.9	59%	0.589	67%	0.67	S	S	*	*			trans	-116.8	158.5	-175.4	41.8	0	0	0	0	111.2	I132	I132-T134 HydrophobicContact CG2-CG2 4.35Å
135	F	26.4	Very low	29.9	Very low	176 Å²	176	123.1 Å²	123.1	77%	0.772	65%	0.648	S	S	*	*				-166.4	141.9	60.4	-90.6	-84	0	0	0	116.7
136	N	28.2	Very low	29.9	Very low	153 Å²	153	123 Å²	123	82%	0.818	64%	0.64	S	S	*	*			trans	59	153.1	142.1	-65.1	0.5	0	0	0	125.8
137	Q	30.4	Very low	29.8	Very low	137 Å²	137	123.2 Å²	123.2	64%	0.64	64%	0.639	S	S	*	*			trans	-171	169.5	-159.1	-164.8	176	3.8	0	0	115.7
138	S	30.3	Very low	29.7	Very low	98 Å²	98	128.2 Å²	128.2	69%	0.685	65%	0.654	S	S	*	*			trans	81.7	174.6	152.5	73.5	0	0	0	0	123.1
139	H	31.8	Very low	29.5	Very low	82 Å²	82	125.1 Å²	125.1	38%	0.38	65%	0.645	S	S	.	*				172.8	174.7	-59.1	-111.3	-91	0	0	0	111.3	Y311	H139-Y311 AromaticContact CE1-CE2 3.54Å; H139-Y311 AromaticContact ND1-CE2 3.89Å
140	I	30.2	Very low	29.5	Very low	136 Å²	136	120.8 Å²	120.8	70%	0.697	64%	0.64	S	S	*	*			trans	149.8	163.9	149.8	-77	159	0	0	0	121.3	S314	I140-S314 PolarHBondContact O-OG 3.32Å; I140-S314 VanDerWaalsContact O-OG 3.09Å
141	Q	29.8	Very low	29.7	Very low	53 Å²	53	120.9 Å²	120.9	25%	0.248	64%	0.639	C	S	.	*			trans	-176.9	0	-167.4	152.7	170	79.4	0	0	125.1	I306 T307 D310 Y311	Q141-I306 VanDerWaalsContact CG-O 3.3Å; Q141-I306 WeakPolarHBondContact CG-O 3.43Å; Q141-I306 PolarHBondContact NE2-O 3.18Å; Q141-T307 VanDerWaalsContact CD-C 3.48Å; Q141-T307 HydrophobicContact CG-CG2 4.07Å; Q141-T307 VanDerWaalsContact NE2-CA 3.28Å; Q141-T307 PolarHBondContact NE2-O 3.29Å; Q141-T307 PolarHBondContact OE1-O 3.12Å; Q141-D310 WeakPolarHBondContact CA-OD2 3.18Å; Q141-D310 HydrophobicContact CB-CB 3.44Å; Q141-D310 VanDerWaalsContact CB-CB 3.44Å; Q141-D310 HydrophobicContact CG-CB 3.92Å; Q141-Y311 VanDerWaalsContact NE2-N 3.16Å
142	L	27.8	Very low	29.7	Very low	132 Å²	132	118.5 Å²	118.5	69%	0.691	62%	0.619	S	S	*	*				0	0	0	-85.8	-167.3	0	0	0	124.2	I306 D310	L142-I306 WeakPolarHBondContact O-CB 3.42Å; L142-I306 WeakPolarHBondContact O-CG2 3.5Å; L142-D310 PolarHBondContact N-OD2 2.98Å
143	Q	30.3	Very low	29.9	Very low	75 Å²	75	117.3 Å²	117.3	35%	0.35	61%	0.61	S	S	.	*				0	-177.4	0	-124.8	-177.6	-11.7	0	0	125.8	I302 S303 I306	Q143-I302 HydrophobicContact CB-CG2 4.2Å; Q143-I302 VanDerWaalsContact CB-O 3.3Å; Q143-I302 WeakPolarHBondContact CB-O 3.35Å; Q143-I302 HydrophobicContact CG-CG2 4.08Å; Q143-I302 PolarHBondContact OE1-O 2.93Å; Q143-S303 WeakPolarHBondContact O-CA 3.47Å; Q143-I306 HydrophobicContact CB-CB 3.6Å; Q143-I306 HydrophobicContact CB-CG1 4.37Å; Q143-I306 HydrophobicContact CG-CB 3.6Å; Q143-I306 HydrophobicContact CG-CD1 3.68Å; Q143-I306 HydrophobicContact CG-CG1 3.82Å; Q143-I306 VanDerWaalsContact OE1-CB 3.24Å
144	S	31.9	Very low	30.1	Very low	69 Å²	69	113.8 Å²	113.8	48%	0.483	59%	0.593	S	S	.	*			trans	177.4	108.3	143.3	32.5	0	0	0	0	124.9	I299	S144-I299 VanDerWaalsContact CB-O 3.28Å; S144-I299 WeakPolarHBondContact CB-O 3.07Å
145	N	30.3	Very low	30.3	Very low	33 Å²	33	114.5 Å²	114.5	18%	0.176	59%	0.593	C	S	.	*			trans	57.5	147.9	131.1	-126.6	-3.5	0	0	0	136.6	I298 N301 I302	N145-I298 HydrophobicContact CB-CB 4.49Å; N145-I298 HydrophobicContact CB-CG2 3.71Å; N145-I298 WeakPolarHBondContact CB-O 3.45Å; N145-I298 VanDerWaalsContact CG-O 3.23Å; N145-I298 PolarHBondContact ND2-O 3.48Å; N145-I298 VanDerWaalsContact O-CG2 3.31Å; N145-I298 WeakPolarHBondContact O-CG2 3.34Å; N145-N301 VanDerWaalsContact ND2-CB 3.3Å; N145-N301 WeakPolarHBondContact ND2-CB 3.41Å; N145-I302 HydrophobicContact CB-CB 3.57Å; N145-I302 HydrophobicContact CB-CG1 4.2Å; N145-I302 HydrophobicContact CB-CG2 4.37Å; N145-I302 VanDerWaalsContact CG-CG1 3.46Å; N145-I302 PolarHBondContact ND2-N 2.94Å; N145-I302 VanDerWaalsContact ND2-N 3.13Å; N145-I302 WeakPolarHBondContact OD1-CB 3.33Å; N145-I302 WeakPolarHBondContact OD1-CD1 3.47Å; N145-I302 WeakPolarHBondContact OD1-CG1 3.29Å
146	Y	32.7	Very low	30.5	Very low	159 Å²	159	113.1 Å²	113.1	62%	0.624	59%	0.589	S	S	*	*			trans	51.3	165.5	144.7	-85.7	-34.6	0	0	0	131.1
147	I	31.2	Very low	30.7	Very low	150 Å²	150	111.9 Å²	111.9	77%	0.769	58%	0.583	S	S	*	*			trans	-148.6	159	-166.6	-60.8	170	0	0	0	113.9
148	H	30.4	Very low	30.7	Very low	180 Å²	180	114 Å²	114	83%	0.833	59%	0.592	S	S	*	*			trans	-157.8	156.9	158	-145.8	-82.5	0	0	0	116.4
149	S	30.2	Very low	30.7	Very low	92 Å²	92	114.5 Å²	114.5	64%	0.643	60%	0.596	S	S	*	*			trans	-144	177.7	176	-62.2	0	0	0	0	111.8
150	S	31.7	Very low	30.6	Very low	107 Å²	107	114.1 Å²	114.1	75%	0.748	60%	0.603	S	S	*	*				174.4	-170.2	54.8	-65.6	0	0	0	0	112.2
151	I	30.6	Very low	30.7	Very low	145 Å²	145	117.4 Å²	117.4	74%	0.744	61%	0.608	S	S	*	*			trans	90.9	136.9	155.6	-66.9	170.2	0	0	0	118.6
152	N	30.8	Very low	30.8	Very low	82 Å²	82	121.9 Å²	121.9	44%	0.439	63%	0.633	S	S	.	*			cis	-171.1	127.5	-15.2	-106.7	4.2	0	0	0	116.3	N740	N152-N740 VanDerWaalsContact O-CG 3.31Å; N152-N740 PolarHBondContact O-ND2 2.83Å; N152-N740 PolarHBondContact O-OD1 3.48Å
153	Q	31.8	Very low	31	Very low	113 Å²	113	121.4 Å²	121.4	53%	0.528	63%	0.63	S	S	.	*			trans	86.9	118.1	145.6	-66.9	179.1	-60.6	0	0	127.1	N740 N741	Q153-N740 WeakPolarHBondContact CA-ND2 3.46Å; Q153-N740 PolarHBondContact N-ND2 3.13Å; Q153-N740 VanDerWaalsContact N-ND2 3.1Å; Q153-N740 PolarHBondContact N-OD1 2.68Å; Q153-N740 WeakPolarHBondContact O-CB 3.41Å; Q153-N740 PolarHBondContact O-ND2 3.48Å; Q153-N741 PolarHBondContact N-ND2 3.49Å; Q153-N741 PolarHBondContact N-OD1 3Å; Q153-N741 VanDerWaalsContact N-OD1 3.09Å
154	M	29.2	Very low	31.1	Very low	121 Å²	121	125.8 Å²	125.8	60%	0.596	65%	0.648	S	S	*	*			trans	76.4	147.2	149.7	-60.6	171.2	87.6	0	0	119.2
155	N	30.4	Very low	31	Very low	111 Å²	111	129 Å²	129	59%	0.594	66%	0.66	S	S	*	*			cis	-156.2	150.2	8.1	-127.5	21.9	0	0	0	115.6
156	Q	30.5	Very low	31	Very low	148 Å²	148	132.1 Å²	132.1	69%	0.692	68%	0.68	S	S	*	*			trans	75.6	129.5	145	-75.8	-174.8	-95.1	0	0	126.9
157	D	31.7	Very low	30.9	Very low	127 Å²	127	127.6 Å²	127.6	68%	0.679	67%	0.669	S	S	*	*			trans	87	93.1	134.2	-53	-6.1	0	0	0	125.7
158	E	30.4	Very low	31	Very low	180 Å²	180	124 Å²	124	84%	0.841	66%	0.655	S	S	*	*				67.1	123.5	126.8	-57	-134.3	127.2	0	0	127.1
159	S	31.3	Very low	31.1	Very low	109 Å²	109	119.8 Å²	119.8	76%	0.762	65%	0.645	S	S	*	*			trans	83.1	148.4	139	86.4	0	0	0	0	120.9
160	S	30.2	Very low	31.4	Very low	74 Å²	74	123 Å²	123	52%	0.517	65%	0.653	S	S	.	*			cis	-170.4	165.7	-18.3	46.7	0	0	0	0	114.8
161	Y	32.5	Very low	31.4	Very low	205 Å²	205	125 Å²	125	80%	0.804	66%	0.656	S	S	*	*			trans	81.7	165.8	166.9	-48.3	-45.3	0	0	0	119.5
162	L	30.8	Very low	31.3	Very low	147 Å²	147	123.3 Å²	123.3	77%	0.77	66%	0.657	S	S	*	*			cis	-171.9	167	-31.7	-87.8	175.4	0	0	0	107.5
163	L	32.2	Very low	31.3	Very low	122 Å²	122	124.6 Å²	124.6	64%	0.639	67%	0.672	S	S	*	*			cis	-175.6	134.7	-24.6	176.8	65.6	0	0	0	113.8
164	K	31.6	Very low	31.4	Very low	167 Å²	167	127 Å²	127	73%	0.726	69%	0.687	S	S	*	*			trans	66.9	176	164.7	-69.4	164.4	-172.8	173.5	0	119
165	N	30	Very low	31.3	Very low	136 Å²	136	127.9 Å²	127.9	73%	0.727	69%	0.694	S	S	*	*			cis	-163.5	-161.9	-42.1	-85.5	-1.1	0	0	0	108.6
166	T	30.7	Very low	31.4	Very low	99 Å²	99	128.8 Å²	128.8	61%	0.607	70%	0.704	S	S	*	*			cis	-168.9	151.2	1.7	-11.6	0	0	0	0	113.2
167	T	30.7	Very low	31.4	Very low	64 Å²	64	129.1 Å²	129.1	39%	0.393	71%	0.705	S	S	.	*			trans	58.3	169	148.1	50.6	0	0	0	0	122.2	T334 T335 T336	T167-T334 PolarHBondContact N-O 3.25Å; T167-T335 CarbonylContact C-O 3.55Å; T167-T335 CarbonylContact O-C 3.53Å; T167-T335 VanDerWaalsContact O-C 3.24Å; T167-T336 WeakPolarHBondContact O-CB 3.4Å; T167-T336 WeakPolarHBondContact O-CG2 3.18Å; T167-T336 PolarHBondContact O-OG1 3.31Å
168	T	34	Very low	31.5	Very low	76 Å²	76	129.9 Å²	129.9	47%	0.466	71%	0.707	S	S	.	*			cis	-172	172.7	-26.1	34	0	0	0	0	109.8	T334 T335 T336	T168-T334 HydrophobicContact CG2-CG2 4.2Å; T168-T335 PolarHBondContact N-O 2.94Å; T168-T335 VanDerWaalsContact N-O 3.1Å; T168-T336 VanDerWaalsContact O-CG2 3.23Å; T168-T336 WeakPolarHBondContact O-CG2 3.35Å
169	S	32.9	Very low	31.6	Very low	91 Å²	91	127 Å²	127	64%	0.636	70%	0.697	S	S	*	*			cis	-176.5	-172.4	-32.7	64.7	0	0	0	0	112.2
170	I	35.8	Very low	31.7	Very low	158 Å²	158	129.1 Å²	129.1	81%	0.81	70%	0.7	S	S	*	*			trans	91.4	148.2	168.1	-53.1	179.5	0	0	0	120.2
171	N	31.5	Very low	31.9	Very low	150 Å²	150	128.8 Å²	128.8	80%	0.802	71%	0.708	S	S	*	*			trans	-113.6	-157	-157.8	-48.3	-84.8	0	0	0	114.7
172	S	29.3	Very low	31.9	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	71%	0.711	S	S	*	*			cis	-178.3	178.3	12.4	17.6	0	0	0	0	109.3
173	S	29.3	Very low	32	Very low	109 Å²	109	127.4 Å²	127.4	76%	0.762	71%	0.709	S	S	*	*			cis	-177.9	-174.1	-19.2	-79.8	0	0	0	0	111.1
174	I	33.5	Very low	32	Very low	163 Å²	163	128.2 Å²	128.2	84%	0.836	71%	0.713	S	S	*	*			trans	109.3	167	157.8	-60.2	171	0	0	0	119.8
175	N	27.9	Very low	32.1	Very low	140 Å²	140	128.2 Å²	128.2	75%	0.749	71%	0.713	S	S	*	*			trans	-131.2	-166.7	-153.5	-55.6	-73.2	0	0	0	116.2
176	T	33	Very low	32.2	Very low	131 Å²	131	133 Å²	133	80%	0.804	72%	0.72	S	S	*	*			trans	100.2	153.9	158.6	70.8	0	0	0	0	119.4
177	Q	30	Very low	32.3	Very low	154 Å²	154	135.7 Å²	135.7	72%	0.72	72%	0.724	S	S	*	*			cis	-174.5	178.9	-24.1	178.8	175.9	-28.6	0	0	110.9
178	M	34	Very low	32.4	Very low	143 Å²	143	141.9 Å²	141.9	70%	0.704	74%	0.741	S	S	*	*			trans	87.9	149	160.3	-51.8	-62.9	-130.5	0	0	118
179	N	32.3	Very low	32.4	Very low	119 Å²	119	143.6 Å²	143.6	64%	0.636	76%	0.756	S	S	*	*			cis	-163.6	171	-25.5	-116.9	-0.9	0	0	0	113.4
180	N	33.2	Very low	32.4	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	76%	0.761	S	S	*	*			trans	69.7	130.7	161.1	-60	-16.3	0	0	0	119.6
181	G	34.1	Very low	32.1	Very low	66 Å²	66	147.2 Å²	147.2	68%	0.68	76%	0.762	S	S	*	*			cis	179.5	158.1	-8.8	0	0	0	0	0	115
182	Q	32.8	Very low	32	Very low	186 Å²	186	146 Å²	146	87%	0.869	75%	0.754	S	S	*	*			trans	53	124.7	159	-57.7	-172.5	11.9	0	0	118.5
183	L	32.5	Very low	32.1	Very low	138 Å²	138	145.6 Å²	145.6	72%	0.723	75%	0.752	S	S	*	*			cis	-155.6	-168.9	6.7	-105.9	167.8	0	0	0	107
184	L	33.4	Very low	32.1	Very low	138 Å²	138	147.8 Å²	147.8	72%	0.723	76%	0.755	S	S	*	*			cis	-140.6	-119.9	12.8	-145.6	-179.5	0	0	0	111.4
185	K	33.7	Very low	31.9	Very low	167 Å²	167	147.4 Å²	147.4	73%	0.726	75%	0.754	S	S	*	*			trans	-150.3	161.1	-170.7	-61.7	164.6	-170.6	171.1	0	107.8
186	R	32.1	Very low	32	Very low	236 Å²	236	146.5 Å²	146.5	89%	0.891	76%	0.758	S	S	*	*			cis	-138.1	144.1	20.5	-57.3	163.7	164.6	120.5	-7.7	107.7
187	K	33.3	Very low	31.8	Very low	156 Å²	156	150.8 Å²	150.8	68%	0.678	76%	0.76	S	S	*	*			cis	67.5	139.7	38.8	-70.7	-166.7	170.7	-168.6	0	114.6
188	Y	31	Very low	31.9	Very low	195 Å²	195	152.5 Å²	152.5	77%	0.765	77%	0.765	S	S	*	*			cis	-108.2	-138.9	-5.6	-68.5	-89.1	0	0	0	110.2
189	S	34.2	Very low	31.7	Very low	111 Å²	111	155.7 Å²	155.7	78%	0.776	77%	0.77	S	S	*	*			cis	-163.1	159	-11.3	19.1	0	0	0	0	106.3
190	K	33	Very low	31.5	Very low	171 Å²	171	156.8 Å²	156.8	74%	0.743	78%	0.776	S	S	*	*			cis	87.5	97.2	10.9	-86.8	-157.7	171.6	-167.6	0	120.4	I192	K190-I192 HydrophobicContact CD-CD1 4.2Å; K190-I192 HydrophobicContact CG-CD1 4.37Å
191	N	29.8	Very low	31.5	Very low	155 Å²	155	153.1 Å²	153.1	83%	0.829	78%	0.775	S	S	*	*				-166.5	137	122.6	-85.9	-16.6	0	0	0	107.2
192	I	30	Very low	31.5	Very low	123 Å²	123	158.1 Å²	158.1	63%	0.631	78%	0.778	S	S	*	*			cis	88.5	139.8	17.7	-55.1	-179.6	0	0	0	114.5	K190	K190-I192 HydrophobicContact CD-CD1 4.2Å; K190-I192 HydrophobicContact CG-CD1 4.37Å
193	S	30.3	Very low	31.5	Very low	102 Å²	102	155.7 Å²	155.7	71%	0.713	77%	0.767	S	S	*	*			trans	83.2	138.7	-167.5	77.4	0	0	0	0	114
194	N	29.5	Very low	31.4	Very low	154 Å²	154	156.2 Å²	156.2	82%	0.824	77%	0.769	S	S	*	*			cis	-141.9	-178.4	1.5	-110.9	-21.1	0	0	0	114.4
195	L	30	Very low	31.2	Very low	156 Å²	156	152.4 Å²	152.4	82%	0.817	75%	0.747	S	S	*	*			trans	-93.9	144.7	-162.9	-75.4	59.9	0	0	0	116.2
196	S	28.8	Very low	31.1	Very low	120 Å²	120	147 Å²	147	84%	0.839	73%	0.728	S	S	*	*				-146.4	106.9	126.9	66.8	0	0	0	0	108.6
197	R	29.9	Very low	30.9	Very low	221 Å²	221	140.1 Å²	140.1	83%	0.834	71%	0.706	S	S	*	*				78.4	104.8	78	-166	177.2	-64.7	-158.3	3.9	113.5
198	K	32.1	Very low	30.8	Very low	191 Å²	191	139.4 Å²	139.4	83%	0.83	71%	0.709	S	S	*	*			trans	-75.2	155.5	172.8	-61.8	177	176.1	-179.1	0	112.3
199	Y	29.4	Very low	30.8	Very low	209 Å²	209	136.7 Å²	136.7	82%	0.82	71%	0.706	S	S	*	*			trans	-157.2	149.5	134.2	-86.3	-49	0	0	0	108.2
200	N	28.2	Very low	30.7	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	71%	0.711	S	S	*	*			cis	-149.5	-179	-13	-145.9	-12.7	0	0	0	109.6
201	G	33.2	Very low	30.5	Very low	77 Å²	77	139.2 Å²	139.2	79%	0.794	71%	0.71	S	S	*	*			trans	131.3	54	171.1	0	0	0	0	0	117
202	K	34.8	Very low	30.6	Very low	171 Å²	171	139.9 Å²	139.9	74%	0.743	71%	0.712	S	S	*	*			trans	-94.7	174.4	179	-102.9	-174.9	169.1	-154.9	0	112.2
203	Q	32.2	Very low	30.5	Very low	136 Å²	136	140.7 Å²	140.7	64%	0.636	72%	0.717	S	S	*	*			cis	-123	-92.1	-5.4	-160.9	161.5	-96.7	0	0	112.5
204	L	31	Very low	30.5	Very low	148 Å²	148	141.5 Å²	141.5	78%	0.775	71%	0.713	S	S	*	*			cis	-156.2	159	-21	-108.2	106.6	0	0	0	104.1
205	K	28.4	Very low	30.5	Very low	59 Å²	59	139.9 Å²	139.9	26%	0.257	71%	0.705	S	S	.	*			cis	-142.3	-159.6	-26.5	-163.3	-166.4	157.1	-74	0	107.1	E207 S338 T341	K205-E207 IonicContact NZ-OE1 3.34Å; K205-E207 PolarHBondContact NZ-OE1 3.47Å; K205-E207 IonicContact NZ-OE2 2.76Å; K205-E207 PolarHBondContact NZ-OE2 2.69Å; K205-S338 WeakPolarHBondContact CD-O 3.1Å; K205-S338 WeakPolarHBondContact CE-O 3.24Å; K205-S338 PolarHBondContact NZ-O 3.33Å; K205-T341 PolarHBondContact O-OG1 3.21Å
206	T	31.2	Very low	30.5	Very low	52 Å²	52	137.3 Å²	137.3	32%	0.319	69%	0.688	S	S	.	*				-164.1	177.1	-125.5	-68.9	0	0	0	0	113.4	T340 T342	T206-T340 WeakPolarHBondContact O-CA 3.21Å; T206-T342 WeakPolarHBondContact CA-OG1 3.08Å; T206-T342 HydrophobicContact CG2-CG2 3.89Å; T206-T342 WeakPolarHBondContact CG2-OG1 3.32Å
207	E	28.5	Very low	30.6	Very low	93 Å²	93	137 Å²	137	44%	0.435	69%	0.686	S	S	.	*			trans	73	176.8	-168.8	-45.6	100.1	-100.7	0	0	111	K205 T340 T341 T342	K205-E207 IonicContact NZ-OE1 3.34Å; K205-E207 PolarHBondContact NZ-OE1 3.47Å; K205-E207 IonicContact NZ-OE2 2.76Å; K205-E207 PolarHBondContact NZ-OE2 2.69Å; E207-T340 CarbonylContact O-C 3.44Å; E207-T340 WeakPolarHBondContact O-CA 3.49Å; E207-T340 WeakPolarHBondContact O-CB 3.39Å; E207-T340 WeakPolarHBondContact O-CG2 3.46Å; E207-T341 PolarHBondContact O-N 3.42Å; E207-T342 PolarHBondContact N-OG1 3.04Å
208	N	30.2	Very low	30.7	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	68%	0.677	S	S	*	*			cis	-152.9	169.7	2.8	-158.8	-2.2	0	0	0	110.1	T340	N208-T340 HydrophobicContact CB-CG2 4.28Å
209	I	32.4	Very low	30.8	Very low	138 Å²	138	130.9 Å²	130.9	71%	0.708	68%	0.676	S	S	*	*			trans	-143.2	148.1	-172.6	-64.6	167.4	0	0	0	111.8
210	K	32.5	Very low	30.9	Very low	200 Å²	200	125.1 Å²	125.1	87%	0.87	67%	0.666	S	S	*	*			trans	-157.3	114.1	148.3	-95.7	169.7	-173.8	-177.2	0	106.7
211	N	28.3	Very low	31	Very low	136 Å²	136	124.5 Å²	124.5	73%	0.727	66%	0.663	S	S	*	*				63	111.9	73	-72.4	23	0	0	0	114.3
212	I	31	Very low	31	Very low	169 Å²	169	130.3 Å²	130.3	87%	0.867	66%	0.662	S	S	*	*				-172.4	155.8	120.8	-93.5	156.4	0	0	0	109.3
213	D	28.2	Very low	30.9	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	66%	0.659	S	S	*	*			trans	-99.1	170.6	-164.5	-74.7	-76.4	0	0	0	115.2
214	L	30.5	Very low	30.9	Very low	120 Å²	120	128.3 Å²	128.3	63%	0.628	66%	0.664	S	S	*	*			trans	58.4	135.2	155.4	-62.7	150.8	0	0	0	116.9
215	N	30.1	Very low	31	Very low	120 Å²	120	125.7 Å²	125.7	64%	0.642	66%	0.658	S	S	*	*			cis	-160.9	172.7	23.4	-117.3	-24.3	0	0	0	111.5
216	H	30.6	Very low	31.1	Very low	101 Å²	101	129.3 Å²	129.3	47%	0.468	68%	0.68	S	S	.	*			trans	-81.6	148.3	166.3	-109	-93.4	0	0	0	111.2	N245 V246	H216-N245 VanDerWaalsContact CB-O 3.26Å; H216-N245 WeakPolarHBondContact CB-O 3.41Å; H216-N245 VanDerWaalsContact CG-O 3.3Å; H216-V246 PolarHBondContact CE1-O 3.12Å; H216-V246 PolarHBondContact ND1-O 3.36Å; H216-V246 VanDerWaalsContact ND1-O 3.09Å; H216-V246 PolarHBondContact NE2-N 2.94Å
217	S	29.4	Very low	31.3	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	69%	0.694	S	S	*	*			trans	-149.6	99.9	173.9	47.4	0	0	0	0	113.5
218	I	32.2	Very low	31.7	Very low	125 Å²	125	133.6 Å²	133.6	64%	0.641	70%	0.704	S	S	*	*			trans	-150.4	127.7	170.8	-68.3	-174	0	0	0	104.9
219	I	34.1	Very low	32	Very low	158 Å²	158	132.9 Å²	132.9	81%	0.81	70%	0.701	S	S	*	*			cis	-144.2	168.3	2.3	-128.3	166.7	0	0	0	109.8
220	S	31.5	Very low	32.2	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	70%	0.7	S	S	*	*			trans	-83.8	152.3	-178.4	57.9	0	0	0	0	114.8
221	N	31.1	Very low	32.3	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	69%	0.694	S	S	*	*				172.7	163.1	112.2	-86.3	-2.6	0	0	0	113.3
222	Y	33.1	Very low	32.4	Very low	199 Å²	199	128 Å²	128	78%	0.78	69%	0.693	S	S	*	*			trans	79	113.1	171	-67.7	-78.4	0	0	0	119.1
223	D	32.3	Very low	32.6	Very low	124 Å²	124	126.2 Å²	126.2	66%	0.663	69%	0.685	S	S	*	*			trans	80.6	92.5	132.7	-61.5	-2.5	0	0	0	121.7
224	N	31.5	Very low	33	Very low	141 Å²	141	125.7 Å²	125.7	75%	0.754	68%	0.683	S	S	*	*				133.2	137	98.3	-91.6	-31	0	0	0	116.9
225	S	33.6	Very low	33.3	Very low	92 Å²	92	127 Å²	127	64%	0.643	69%	0.691	S	S	*	*			trans	58.3	116	154.2	59	0	0	0	0	121.5
226	N	31.7	Very low	33.6	Very low	135 Å²	135	128.5 Å²	128.5	72%	0.722	70%	0.699	S	S	*	*				60.3	143.9	126.6	-59.4	52	0	0	0	119.5
227	D	35.6	Very low	33.8	Very low	116 Å²	116	128 Å²	128	62%	0.62	71%	0.707	S	S	*	*			cis	-159.8	151.9	-8.4	-112.8	-23.3	0	0	0	111.5
228	N	36.4	Very low	34.1	Very low	119 Å²	119	130.2 Å²	130.2	64%	0.636	71%	0.709	S	S	*	*			trans	38.7	125.4	141.1	-61.8	-43.7	0	0	0	122.4
229	N	36	Very low	34.3	Very low	126 Å²	126	128.1 Å²	128.1	67%	0.674	71%	0.706	S	S	*	*				83.4	112.3	127.9	-67.8	-11.7	0	0	0	122.2
230	N	35.9	Very low	34.4	Very low	130 Å²	130	127 Å²	127	70%	0.695	70%	0.702	S	S	*	*				90.9	135.5	121.8	-64.9	-12	0	0	0	121.8
231	N	34.4	Very low	34.6	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	70%	0.704	S	S	*	*			trans	74.1	105.9	145.2	-65.1	-5.6	0	0	0	120.9
232	S	32.2	Very low	34.9	Very low	103 Å²	103	128.1 Å²	128.1	72%	0.72	70%	0.7	S	S	*	*				86.5	138.5	121.3	72.3	0	0	0	0	120.3
233	N	35.1	Very low	35	Very low	131 Å²	131	124.3 Å²	124.3	70%	0.701	69%	0.694	S	S	*	*			trans	68.9	117.1	149.9	-69.6	31.3	0	0	0	120.5
234	D	35.2	Very low	35	Very low	128 Å²	128	122.3 Å²	122.3	68%	0.684	69%	0.688	S	S	*	*				79.3	128.3	127.6	-58.4	-19.7	0	0	0	121.8
235	N	37.1	Very low	35	Very low	149 Å²	149	121.3 Å²	121.3	80%	0.797	68%	0.683	S	S	*	*			trans	72	96	143.1	-65.3	-31.1	0	0	0	120.5
236	N	36	Very low	34.9	Very low	151 Å²	151	120.9 Å²	120.9	81%	0.807	68%	0.676	S	S	*	*				108.8	147.9	110.8	-155.3	13.5	0	0	0	118.9
237	S	35.8	Very low	34.8	Very low	91 Å²	91	120.4 Å²	120.4	64%	0.636	67%	0.672	S	S	*	*			trans	63.2	88.6	154.6	48.2	0	0	0	0	122.3
238	N	35.6	Very low	34.4	Very low	160 Å²	160	120.3 Å²	120.3	86%	0.856	68%	0.676	S	S	*	*				84.4	152.6	108.2	-157.5	21.8	0	0	0	122
239	S	36.2	Very low	34.1	Very low	81 Å²	81	122.5 Å²	122.5	57%	0.566	68%	0.683	S	S	*	*			trans	83.7	90.9	151.2	-175.4	0	0	0	0	122
240	N	36.1	Very low	33.7	Very low	135 Å²	135	124.9 Å²	124.9	72%	0.722	69%	0.687	S	S	*	*				82.8	124.5	122.7	-68	-39.3	0	0	0	123.6
241	N	36.5	Very low	33.5	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	69%	0.685	S	S	*	*				105.1	126.9	120.8	-83.9	-9.3	0	0	0	123.2
242	N	37.1	Very low	33.4	Very low	116 Å²	116	123.3 Å²	123.3	62%	0.62	68%	0.679	S	S	*	*			trans	90.1	106.1	136.6	-67.8	-18.2	0	0	0	122.2
243	N	35.6	Very low	33.5	Very low	119 Å²	119	124.2 Å²	124.2	64%	0.636	68%	0.676	S	S	*	*				87.2	119.5	121.6	-81.6	-15.5	0	0	0	122.4
244	C	31.4	Very low	33.5	Very low	82 Å²	82	123.8 Å²	123.8	55%	0.554	67%	0.673	S	S	*	*				96.3	145.5	125.1	-76.3	0	0	0	0	121.4
245	N	32.2	Very low	33.5	Very low	120 Å²	120	123 Å²	123	64%	0.642	67%	0.669	S	S	*	*			trans	87.9	108.5	141.1	-76.7	-5.2	0	0	0	122.1	H216	H216-N245 VanDerWaalsContact CB-O 3.26Å; H216-N245 WeakPolarHBondContact CB-O 3.41Å; H216-N245 VanDerWaalsContact CG-O 3.3Å
246	V	31.1	Very low	33.3	Very low	83 Å²	83	120.8 Å²	120.8	50%	0.503	65%	0.654	S	S	.	*				101.3	121.7	108.9	163.6	0	0	0	0	119.5	H216	H216-V246 PolarHBondContact CE1-O 3.12Å; H216-V246 PolarHBondContact ND1-O 3.36Å; H216-V246 VanDerWaalsContact ND1-O 3.09Å; H216-V246 PolarHBondContact NE2-N 2.94Å
247	I	28.6	Very low	33.1	Very low	124 Å²	124	119.4 Å²	119.4	64%	0.636	65%	0.646	S	S	*	*			trans	91.2	135.7	152	-88.1	164.9	0	0	0	120.4
248	T	27.5	Very low	33	Very low	114 Å²	114	120.7 Å²	120.7	70%	0.699	65%	0.645	S	S	*	*			trans	-61.3	166	176.1	53.3	0	0	0	0	114.7
249	Q	30.4	Very low	32.8	Very low	166 Å²	166	118.4 Å²	118.4	78%	0.776	64%	0.636	S	S	*	*				-162.8	167.5	106.4	-99.3	-172.1	19.7	0	0	112.7
250	F	27.4	Very low	32.6	Very low	176 Å²	176	120.3 Å²	120.3	77%	0.772	64%	0.64	S	S	*	*			trans	-12.8	160.1	162.9	-68.5	-88.7	0	0	0	119.2
251	N	31.9	Very low	32.3	Very low	121 Å²	121	118.7 Å²	118.7	65%	0.647	64%	0.64	S	S	*	*				-169.8	172.3	51	-142.4	-5.2	0	0	0	116.5
252	N	33.2	Very low	32.1	Very low	114 Å²	114	120 Å²	120	61%	0.61	65%	0.645	S	S	*	*			trans	70	141.5	149.2	-70.1	-11.8	0	0	0	120.8
253	N	34.1	Very low	31.7	Very low	121 Å²	121	119.4 Å²	119.4	65%	0.647	65%	0.65	S	S	*	*			cis	-160.4	166.4	-17.3	-129	-8.8	0	0	0	114.2
254	N	34.4	Very low	31.4	Very low	123 Å²	123	121.6 Å²	121.6	66%	0.658	65%	0.653	S	S	*	*			trans	66.8	139.5	163.8	-52.8	-12.7	0	0	0	117.3
255	N	34.4	Very low	31.4	Very low	112 Å²	112	123.8 Å²	123.8	60%	0.599	66%	0.656	S	S	*	*			cis	-171.4	167.2	-12.3	-93.9	-17.3	0	0	0	106.3
256	Q	33.8	Very low	31.3	Very low	101 Å²	101	123.7 Å²	123.7	47%	0.472	66%	0.655	S	S	.	*			cis	-164	155.5	-19.3	-99.5	156.4	-25.9	0	0	105.8	H884	Q256-H884 WeakPolarHBondContact CB-CE1 3.19Å; Q256-H884 WeakPolarHBondContact CG-CE1 3.46Å; Q256-H884 PolarHBondContact NE2-CE1 2.88Å; Q256-H884 PolarHBondContact NE2-NE2 3.08Å; Q256-H884 PolarHBondContact OE1-NE2 3.42Å
257	L	31.7	Very low	31.2	Very low	123 Å²	123	129.2 Å²	129.2	64%	0.644	67%	0.668	S	S	*	*			cis	87.4	115.1	13.8	-57.9	172.9	0	0	0	114.8	H884	L257-H884 PolarHBondContact O-CE1 2.93Å
258	I	32.7	Very low	31.2	Very low	118 Å²	118	129.5 Å²	129.5	61%	0.605	67%	0.67	S	S	*	*			cis	-151.4	-161.1	-5	-30.5	79	0	0	0	108.4
259	T	31.5	Very low	31.1	Very low	111 Å²	111	132.2 Å²	132.2	68%	0.681	67%	0.673	S	S	*	*				169.2	161.3	72.2	41.3	0	0	0	0	108.5
260	N	32.7	Very low	30.9	Very low	122 Å²	122	129.3 Å²	129.3	65%	0.652	67%	0.667	S	S	*	*			cis	-160.8	157.9	-17.3	-86.1	-14.1	0	0	0	105.9
261	S	30	Very low	31	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	67%	0.666	S	S	*	*			cis	86.8	91.6	7.9	81.5	0	0	0	0	119.3
262	I	31.5	Very low	30.8	Very low	154 Å²	154	129.7 Å²	129.7	79%	0.79	67%	0.668	S	S	*	*			trans	-150.9	109	168.1	-97.5	149.5	0	0	0	107.8
263	S	29.2	Very low	30.8	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	68%	0.675	S	S	*	*				53.3	138.9	98.8	59	0	0	0	0	114.7
264	K	30.1	Very low	30.6	Very low	165 Å²	165	135.9 Å²	135.9	72%	0.717	68%	0.68	S	S	*	*			cis	-143.3	179.5	34	-78.3	176.5	151	-109.4	0	110.7
265	E	31.5	Very low	30.2	Very low	128 Å²	128	139 Å²	139	60%	0.598	69%	0.688	S	S	*	*			cis	-167.7	177.5	-20.7	-102.3	163.9	-171	0	0	110.2
266	N	29.6	Very low	29.9	Very low	118 Å²	118	142.4 Å²	142.4	63%	0.631	70%	0.698	S	S	*	*			trans	36	145.4	145.6	-61.9	-13.5	0	0	0	122.7
267	Y	28	Very low	29.5	Very low	199 Å²	199	142.9 Å²	142.9	78%	0.78	71%	0.707	S	S	*	*			cis	-160	172.2	9.3	-124.6	-43.1	0	0	0	112.4
268	L	28.5	Very low	29.4	Very low	130 Å²	130	143.2 Å²	143.2	68%	0.681	71%	0.71	S	S	*	*			trans	61.6	109.8	157.8	-90.4	109.3	0	0	0	123.5
269	F	26	Very low	29.1	Very low	172 Å²	172	143 Å²	143	75%	0.754	72%	0.719	S	S	*	*				87.9	106.5	123.9	-94.7	-123.4	0	0	0	123.7
270	T	27	Very low	28.8	Very low	105 Å²	105	145.6 Å²	145.6	64%	0.644	73%	0.727	S	S	*	*			trans	71.5	136.2	141.3	62.9	0	0	0	0	119.3
271	K	30.1	Very low	28.5	Very low	176 Å²	176	145.5 Å²	145.5	77%	0.765	73%	0.731	S	S	*	*			cis	-154.1	133.6	-2	-123.6	161.4	-173	169.1	0	110.3
272	N	27.5	Very low	28.3	Very low	129 Å²	129	152.3 Å²	152.3	69%	0.69	74%	0.741	S	S	*	*			trans	48.6	125	139.2	-70	-13.4	0	0	0	119.7
273	K	32.3	Very low	28.2	Very low	174 Å²	174	154 Å²	154	76%	0.757	74%	0.742	S	S	*	*			cis	-152.5	140.8	27.6	-81.7	-154.3	175.7	178.8	0	114.9
274	Y	29.5	Very low	28.1	Very low	190 Å²	190	158.2 Å²	158.2	75%	0.745	75%	0.748	S	S	*	*			trans	44.9	116.3	139.3	-67.5	-102.9	0	0	0	119.4
275	K	26.1	Very low	27.9	Very low	190 Å²	190	155 Å²	155	83%	0.826	75%	0.746	S	S	*	*				58.4	102.4	54.3	-69.4	-167.7	171.7	-177.5	0	116.3
276	K	29	Very low	27.9	Very low	183 Å²	183	158.3 Å²	158.3	80%	0.796	76%	0.758	S	S	*	*			trans	169.2	125.6	132.7	-97.6	172.8	179.8	-178.4	0	107.4
277	T	25.6	Very low	28	Very low	111 Å²	111	160.7 Å²	160.7	68%	0.681	77%	0.77	S	S	*	*			cis	60.8	143.2	30.3	85.7	0	0	0	0	115
278	N	28	Very low	27.9	Very low	130 Å²	130	157.4 Å²	157.4	70%	0.695	77%	0.766	S	S	*	*			trans	75.3	107.2	179.8	-45.2	23.2	0	0	0	112.3
279	S	26.4	Very low	28.2	Very low	113 Å²	113	159.5 Å²	159.5	79%	0.79	77%	0.769	S	S	*	*				69.3	71.5	58.8	83.3	0	0	0	0	114
280	I	26.3	Very low	28.5	Very low	166 Å²	166	157.4 Å²	157.4	85%	0.851	77%	0.766	S	S	*	*			trans	-123.6	140.8	160.9	-66.5	-176.7	0	0	0	109.4
281	T	26.5	Very low	28.7	Very low	119 Å²	119	158.5 Å²	158.5	73%	0.73	77%	0.766	S	S	*	*			trans	-90.9	130.6	-166.1	43.3	0	0	0	0	114.3
282	R	25.8	Very low	28.8	Very low	245 Å²	245	157.5 Å²	157.5	93%	0.925	76%	0.764	S	S	*	*			trans	-137.8	109.8	138.3	-82.7	-167.7	176.4	-179.8	-1.4	105.6
283	K	28.5	Very low	28.8	Very low	189 Å²	189	157.4 Å²	157.4	82%	0.822	76%	0.763	S	S	*	*				38.3	109.1	72.3	-70.5	-173.9	175.7	178.8	0	110
284	K	28.7	Very low	28.9	Very low	191 Å²	191	155.8 Å²	155.8	83%	0.83	76%	0.762	S	S	*	*			cis	-129	130.3	25.4	-65.3	178.8	-178.1	-179.1	0	109.7
285	S	25.6	Very low	29	Very low	96 Å²	96	151.8 Å²	151.8	67%	0.671	75%	0.754	S	S	*	*				48.3	101.2	74.4	71.9	0	0	0	0	112.5
286	K	31.8	Very low	29.8	Very low	198 Å²	198	149.8 Å²	149.8	86%	0.861	75%	0.747	S	S	*	*				48.7	96.6	101.7	-78.6	-171	174.8	-177.7	0	113.7
287	I	31.4	Very low	30.2	Very low	169 Å²	169	149 Å²	149	87%	0.867	75%	0.746	S	S	*	*			trans	-165	102.8	136.6	-88.7	141.3	0	0	0	101.9
288	N	26.3	Very low	30.8	Very low	130 Å²	130	146 Å²	146	70%	0.695	73%	0.725	S	S	*	*			cis	73.3	136.6	44.4	-161.4	18.7	0	0	0	112.4
289	K	33.8	Very low	31.5	Very low	173 Å²	173	143.4 Å²	143.4	75%	0.752	71%	0.711	S	S	*	*			trans	68.8	146.7	-173.9	-47.9	174.3	-177.6	-178.5	0	113.9
290	N	31.6	Very low	32.2	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	70%	0.697	S	S	*	*			cis	-166.5	162.2	-23.5	-109.9	-0.8	0	0	0	107.6
291	I	32.3	Very low	33	Very low	128 Å²	128	139.1 Å²	139.1	66%	0.656	68%	0.681	S	S	*	*			trans	61	105.9	148.4	-67.6	166.1	0	0	0	114.9
292	Q	31.6	Very low	33.9	Very low	156 Å²	156	135.3 Å²	135.3	73%	0.729	66%	0.655	S	S	*	*				63.7	140.6	87.7	-70.3	177.3	-35.2	0	0	113
293	I	28.8	Very low	34.9	Very low	127 Å²	127	125.6 Å²	125.6	65%	0.651	63%	0.625	S	S	*	*			cis	-160.3	175.8	4.1	-123.5	164.6	0	0	0	109.9
294	N	34	Very low	35.6	Very low	140 Å²	140	120.3 Å²	120.3	75%	0.749	61%	0.609	S	S	*	*			trans	56.4	92.9	166.7	-70.8	-7.1	0	0	0	120
295	N	31.3	Very low	36.4	Very low	106 Å²	106	114.8 Å²	114.8	57%	0.567	59%	0.587	S	S	*	*			trans	-139	9.6	152.5	-95.5	-34.2	0	0	0	112.6	I298 I299	N295-I298 WeakPolarHBondContact O-CB 3.46Å; N295-I299 HydrophobicContact CB-CD1 4.19Å; N295-I299 WeakPolarHBondContact O-CG1 3.07Å; N295-I299 PolarHBondContact O-N 2.61Å
296	H	42.5	Very low	37.4	Very low	147 Å²	147	111.8 Å²	111.8	68%	0.681	56%	0.564	S	S	*	*	H	α-helix	trans	-86.5	-27	-155.4	-149.7	-45	0	0	0	115.3
297	E	38.5	Very low	38	Very low	166 Å²	166	105 Å²	105	78%	0.776	54%	0.539	S	S	*	.	H	α-helix	trans	-81.9	-38.4	175	-170.4	162.3	-128.3	0	0	111	N300 N301	E297-N300 PolarHBondContact O-N 3.35Å; E297-N301 PolarHBondContact O-N 3.43Å
298	I	37.7	Very low	38.6	Very low	48 Å²	48	101 Å²	101	25%	0.246	52%	0.522	C	S	.	.	H	α-helix	trans	-49.7	-63	165.9	-75.3	-174.5	0	0	0	109.8	N145 N295 N300 N301	N145-I298 HydrophobicContact CB-CB 4.49Å; N145-I298 HydrophobicContact CB-CG2 3.71Å; N145-I298 WeakPolarHBondContact CB-O 3.45Å; N145-I298 VanDerWaalsContact CG-O 3.23Å; N145-I298 PolarHBondContact ND2-O 3.48Å; N145-I298 VanDerWaalsContact O-CG2 3.31Å; N145-I298 WeakPolarHBondContact O-CG2 3.34Å; N295-I298 WeakPolarHBondContact O-CB 3.46Å; I298-N300 VanDerWaalsContact C-N 3.27Å; I298-N300 PolarHBondContact O-N 3.09Å; I298-N300 VanDerWaalsContact O-N 3.08Å; I298-N301 PolarHBondContact O-N 3.43Å; I298-N301 VanDerWaalsContact O-N 3.17Å
299	I	43.1	Very low	39.5	Very low	77 Å²	77	98 Å²	98	40%	0.395	51%	0.506	S	S	.	.	H	α-helix	trans	-54.9	-38.3	-173.2	-73.7	165.7	0	0	0	113.4	S144 N295 S303	S144-I299 VanDerWaalsContact CB-O 3.28Å; S144-I299 WeakPolarHBondContact CB-O 3.07Å; N295-I299 HydrophobicContact CB-CD1 4.19Å; N295-I299 WeakPolarHBondContact O-CG1 3.07Å; N295-I299 PolarHBondContact O-N 2.61Å; I299-S303 WeakPolarHBondContact O-CB 3.37Å; I299-S303 PolarHBondContact O-N 3.1Å; I299-S303 VanDerWaalsContact O-N 3.16Å
300	N	40.8	Very low	39.9	Very low	95 Å²	95	92 Å²	92	51%	0.508	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-48.4	179.4	-75.3	-14.7	0	0	0	113.4	E297 I298 I302 S303 T304	E297-N300 PolarHBondContact O-N 3.35Å; I298-N300 VanDerWaalsContact C-N 3.27Å; I298-N300 PolarHBondContact O-N 3.09Å; I298-N300 VanDerWaalsContact O-N 3.08Å; N300-I302 PolarHBondContact O-N 2.96Å; N300-S303 WeakPolarHBondContact O-CB 3.48Å; N300-S303 PolarHBondContact O-N 3.17Å; N300-T304 PolarHBondContact O-N 3.09Å; N300-T304 VanDerWaalsContact O-N 3.08Å; N300-T304 PolarHBondContact O-OG1 2.86Å
301	N	41.6	Very low	40.3	Very low	93 Å²	93	90.1 Å²	90.1	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-64.1	-48.1	-166.5	-99.7	-7.7	0	0	0	113.7	N145 E297 I298 T304 I305	N145-N301 VanDerWaalsContact ND2-CB 3.3Å; N145-N301 WeakPolarHBondContact ND2-CB 3.41Å; E297-N301 PolarHBondContact O-N 3.43Å; I298-N301 PolarHBondContact O-N 3.43Å; I298-N301 VanDerWaalsContact O-N 3.17Å; N301-T304 VanDerWaalsContact O-CB 3.27Å; N301-T304 WeakPolarHBondContact O-CB 3.41Å; N301-T304 PolarHBondContact O-N 2.93Å; N301-I305 WeakPolarHBondContact O-CG1 3.43Å
302	I	46.6	Very low	40.9	Very low	39 Å²	39	86.9 Å²	86.9	20%	0.2	45%	0.454	C	S	.	.	H	α-helix	trans	-85.9	-16.2	174.6	-75.6	-172.8	0	0	0	112.8	Q143 N145 N300 T304 I305 I306	Q143-I302 HydrophobicContact CB-CG2 4.2Å; Q143-I302 VanDerWaalsContact CB-O 3.3Å; Q143-I302 WeakPolarHBondContact CB-O 3.35Å; Q143-I302 HydrophobicContact CG-CG2 4.08Å; Q143-I302 PolarHBondContact OE1-O 2.93Å; N145-I302 HydrophobicContact CB-CB 3.57Å; N145-I302 HydrophobicContact CB-CG1 4.2Å; N145-I302 HydrophobicContact CB-CG2 4.37Å; N145-I302 VanDerWaalsContact CG-CG1 3.46Å; N145-I302 PolarHBondContact ND2-N 2.94Å; N145-I302 VanDerWaalsContact ND2-N 3.13Å; N145-I302 WeakPolarHBondContact OD1-CB 3.33Å; N145-I302 WeakPolarHBondContact OD1-CD1 3.47Å; N145-I302 WeakPolarHBondContact OD1-CG1 3.29Å; N300-I302 PolarHBondContact O-N 2.96Å; I302-T304 PolarHBondContact O-N 2.94Å; I302-I305 HydrophobicContact CG1-CB 4.33Å; I302-I305 HydrophobicContact CG1-CD1 3.91Å; I302-I305 PolarHBondContact O-N 3.49Å; I302-I306 PolarHBondContact O-N 3.11Å
303	S	46.5	Very low	41.4	Very low	41 Å²	41	83 Å²	83	29%	0.287	44%	0.438	S	S	.	.	H	α-helix	trans	-55.3	-38.5	162.6	-177.3	0	0	0	0	110.3	Q143 I299 N300 I305 T307	Q143-S303 WeakPolarHBondContact O-CA 3.47Å; I299-S303 WeakPolarHBondContact O-CB 3.37Å; I299-S303 PolarHBondContact O-N 3.1Å; I299-S303 VanDerWaalsContact O-N 3.16Å; N300-S303 WeakPolarHBondContact O-CB 3.48Å; N300-S303 PolarHBondContact O-N 3.17Å; S303-I305 VanDerWaalsContact C-N 3.29Å; S303-I305 PolarHBondContact O-N 2.99Å; S303-T307 WeakPolarHBondContact O-CB 3.24Å; S303-T307 VanDerWaalsContact O-CG2 3.26Å; S303-T307 WeakPolarHBondContact O-CG2 3.44Å; S303-T307 PolarHBondContact O-N 3.42Å; S303-T307 PolarHBondContact O-OG1 3.27Å
304	T	43.6	Very low	42.2	Very low	79 Å²	79	78.8 Å²	78.8	49%	0.485	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-29.6	170.8	-45.8	0	0	0	0	113.8	N300 N301 I302 T307 T308	N300-T304 PolarHBondContact O-N 3.09Å; N300-T304 VanDerWaalsContact O-N 3.08Å; N300-T304 PolarHBondContact O-OG1 2.86Å; N301-T304 VanDerWaalsContact O-CB 3.27Å; N301-T304 WeakPolarHBondContact O-CB 3.41Å; N301-T304 PolarHBondContact O-N 2.93Å; I302-T304 PolarHBondContact O-N 2.94Å; T304-T307 WeakPolarHBondContact CA-OG1 3.43Å; T304-T307 CarbonylContact O-C 3.51Å; T304-T307 WeakPolarHBondContact O-CA 3.46Å; T304-T307 PolarHBondContact O-N 3.11Å; T304-T307 PolarHBondContact O-OG1 3.01Å; T304-T308 PolarHBondContact O-N 3.38Å; T304-T308 VanDerWaalsContact O-N 3.13Å
305	I	45.4	Very low	42.5	Very low	74 Å²	74	78.4 Å²	78.4	38%	0.379	41%	0.411	S	S	.	.	H	α-helix	trans	-95.5	-33.2	-163.7	-63.2	165.2	0	0	0	115.4	N301 I302 S303 T307 T308 I309	N301-I305 WeakPolarHBondContact O-CG1 3.43Å; I302-I305 HydrophobicContact CG1-CB 4.33Å; I302-I305 HydrophobicContact CG1-CD1 3.91Å; I302-I305 PolarHBondContact O-N 3.49Å; S303-I305 VanDerWaalsContact C-N 3.29Å; S303-I305 PolarHBondContact O-N 2.99Å; I305-T307 VanDerWaalsContact C-N 3.3Å; I305-T308 CarbonylContact O-C 3.24Å; I305-T308 PolarHBondContact O-N 3.41Å; I305-T308 PolarHBondContact O-OG1 3.06Å; I305-I309 HydrophobicContact CG2-CD1 3.89Å; I305-I309 HydrophobicContact CG2-CG1 4.46Å; I305-I309 WeakPolarHBondContact O-CG1 3.38Å; I305-I309 PolarHBondContact O-N 3.22Å
306	I	46.1	Very low	42.8	Very low	34 Å²	34	78.9 Å²	78.9	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-76	-20	154.4	-71.7	173.6	0	0	0	110.8	Q141 L142 Q143 I302 T308 I309 D310	Q141-I306 VanDerWaalsContact CG-O 3.3Å; Q141-I306 WeakPolarHBondContact CG-O 3.43Å; Q141-I306 PolarHBondContact NE2-O 3.18Å; L142-I306 WeakPolarHBondContact O-CB 3.42Å; L142-I306 WeakPolarHBondContact O-CG2 3.5Å; Q143-I306 HydrophobicContact CB-CB 3.6Å; Q143-I306 HydrophobicContact CB-CG1 4.37Å; Q143-I306 HydrophobicContact CG-CB 3.6Å; Q143-I306 HydrophobicContact CG-CD1 3.68Å; Q143-I306 HydrophobicContact CG-CG1 3.82Å; Q143-I306 VanDerWaalsContact OE1-CB 3.24Å; I302-I306 PolarHBondContact O-N 3.11Å; I306-T308 PolarHBondContact O-N 3.49Å; I306-I309 HydrophobicContact CB-CB 4.3Å; I306-I309 HydrophobicContact CG1-CB 3.75Å; I306-I309 HydrophobicContact CG1-CD1 3.95Å; I306-I309 HydrophobicContact CG1-CG1 4.43Å; I306-I309 HydrophobicContact CG1-CG2 3.94Å; I306-I309 PolarHBondContact O-N 2.91Å; I306-D310 HydrophobicContact CG2-CB 3.63Å; I306-D310 VanDerWaalsContact CG2-OD1 3.28Å; I306-D310 WeakPolarHBondContact CG2-OD1 3.29Å; I306-D310 WeakPolarHBondContact CG2-OD2 3.41Å; I306-D310 PolarHBondContact O-N 2.96Å
307	T	44.9	Very low	42.8	Very low	55 Å²	55	78.2 Å²	78.2	34%	0.337	41%	0.414	S	S	.	.	H	α-helix	trans	-67.1	9.3	156.2	74.1	0	0	0	0	115.3	Q141 S303 T304 I305	Q141-T307 VanDerWaalsContact CD-C 3.48Å; Q141-T307 HydrophobicContact CG-CG2 4.07Å; Q141-T307 VanDerWaalsContact NE2-CA 3.28Å; Q141-T307 PolarHBondContact NE2-O 3.29Å; Q141-T307 PolarHBondContact OE1-O 3.12Å; S303-T307 WeakPolarHBondContact O-CB 3.24Å; S303-T307 VanDerWaalsContact O-CG2 3.26Å; S303-T307 WeakPolarHBondContact O-CG2 3.44Å; S303-T307 PolarHBondContact O-N 3.42Å; S303-T307 PolarHBondContact O-OG1 3.27Å; T304-T307 WeakPolarHBondContact CA-OG1 3.43Å; T304-T307 CarbonylContact O-C 3.51Å; T304-T307 WeakPolarHBondContact O-CA 3.46Å; T304-T307 PolarHBondContact O-N 3.11Å; T304-T307 PolarHBondContact O-OG1 3.01Å; I305-T307 VanDerWaalsContact C-N 3.3Å
308	T	43.3	Very low	42.8	Very low	85 Å²	85	76.3 Å²	76.3	52%	0.521	41%	0.408	S	S	.	.	H	α-helix	trans	-123.5	-28.7	155.9	56.2	0	0	0	0	114.5	T304 I305 I306 S312	T304-T308 PolarHBondContact O-N 3.38Å; T304-T308 VanDerWaalsContact O-N 3.13Å; I305-T308 CarbonylContact O-C 3.24Å; I305-T308 PolarHBondContact O-N 3.41Å; I305-T308 PolarHBondContact O-OG1 3.06Å; I306-T308 PolarHBondContact O-N 3.49Å; T308-S312 PolarHBondContact O-OG 3.15Å
309	I	46.6	Very low	42.6	Very low	68 Å²	68	80.6 Å²	80.6	35%	0.349	43%	0.432	S	S	.	.	H	α-helix	trans	-73.6	-46.7	179.5	-69.7	160.6	0	0	0	113.4	I305 I306 Y311 S312 I313	I305-I309 HydrophobicContact CG2-CD1 3.89Å; I305-I309 HydrophobicContact CG2-CG1 4.46Å; I305-I309 WeakPolarHBondContact O-CG1 3.38Å; I305-I309 PolarHBondContact O-N 3.22Å; I306-I309 HydrophobicContact CB-CB 4.3Å; I306-I309 HydrophobicContact CG1-CB 3.75Å; I306-I309 HydrophobicContact CG1-CD1 3.95Å; I306-I309 HydrophobicContact CG1-CG1 4.43Å; I306-I309 HydrophobicContact CG1-CG2 3.94Å; I306-I309 PolarHBondContact O-N 2.91Å; I309-Y311 PolarHBondContact O-N 2.92Å; I309-S312 PolarHBondContact O-N 3.39Å; I309-S312 VanDerWaalsContact O-N 3.11Å; I309-S312 PolarHBondContact O-OG 3.05Å; I309-I313 HydrophobicContact CG2-CD1 3.5Å; I309-I313 HydrophobicContact CG2-CG1 4.03Å; I309-I313 WeakPolarHBondContact O-CG1 3.36Å; I309-I313 PolarHBondContact O-N 3.4Å
310	D	42	Very low	42.2	Very low	47 Å²	47	86.3 Å²	86.3	25%	0.251	46%	0.456	S	S	.	.	H	α-helix	trans	-67.6	-22.7	-174.6	-85.4	-8.4	0	0	0	113	Q141 L142 I306 S314	Q141-D310 WeakPolarHBondContact CA-OD2 3.18Å; Q141-D310 HydrophobicContact CB-CB 3.44Å; Q141-D310 VanDerWaalsContact CB-CB 3.44Å; Q141-D310 HydrophobicContact CG-CB 3.92Å; L142-D310 PolarHBondContact N-OD2 2.98Å; I306-D310 HydrophobicContact CG2-CB 3.63Å; I306-D310 VanDerWaalsContact CG2-OD1 3.28Å; I306-D310 WeakPolarHBondContact CG2-OD1 3.29Å; I306-D310 WeakPolarHBondContact CG2-OD2 3.41Å; I306-D310 PolarHBondContact O-N 2.96Å; D310-S314 WeakPolarHBondContact O-CB 3.41Å; D310-S314 PolarHBondContact O-N 3.48Å; D310-S314 PolarHBondContact O-OG 3.4Å
311	Y	39.5	Very low	41.8	Very low	88 Å²	88	88.8 Å²	88.8	35%	0.345	47%	0.47	S	S	.	.	H	α-helix	trans	-82.7	-23	176.3	-173	-83	0	0	0	112.5	H139 Q141 I309	H139-Y311 AromaticContact CE1-CE2 3.54Å; H139-Y311 AromaticContact ND1-CE2 3.89Å; Q141-Y311 VanDerWaalsContact NE2-N 3.16Å; I309-Y311 PolarHBondContact O-N 2.92Å
312	S	44.2	Very low	41.4	Very low	59 Å²	59	91.2 Å²	91.2	41%	0.413	48%	0.483	S	S	.	.	H	α-helix	trans	-79.8	-39.2	163.7	50.2	0	0	0	0	111.5	T308 I309 S314 K315 N316	T308-S312 PolarHBondContact O-OG 3.15Å; I309-S312 PolarHBondContact O-N 3.39Å; I309-S312 VanDerWaalsContact O-N 3.11Å; I309-S312 PolarHBondContact O-OG 3.05Å; S312-S314 PolarHBondContact O-N 3.2Å; S312-K315 PolarHBondContact O-N 2.98Å; S312-K315 VanDerWaalsContact O-N 3.11Å; S312-N316 PolarHBondContact O-N 2.94Å; S312-N316 PolarHBondContact O-OD1 3.25Å
313	I	41.9	Very low	40.8	Very low	74 Å²	74	95.3 Å²	95.3	38%	0.379	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-46.5	171.7	-68.3	177.8	0	0	0	111	I309 K315 N316 I317	I309-I313 HydrophobicContact CG2-CD1 3.5Å; I309-I313 HydrophobicContact CG2-CG1 4.03Å; I309-I313 WeakPolarHBondContact O-CG1 3.36Å; I309-I313 PolarHBondContact O-N 3.4Å; I313-K315 PolarHBondContact O-N 3.09Å; I313-K315 VanDerWaalsContact O-N 3.15Å; I313-N316 PolarHBondContact O-N 2.84Å; I313-N316 VanDerWaalsContact O-N 3.09Å; I313-I317 HydrophobicContact CG2-CD1 3.49Å; I313-I317 VanDerWaalsContact CG2-CD1 3.49Å; I313-I317 HydrophobicContact CG2-CG1 4.21Å; I313-I317 WeakPolarHBondContact O-CG1 3.2Å; I313-I317 PolarHBondContact O-N 2.85Å; I313-I317 VanDerWaalsContact O-N 3.09Å
314	S	45.7	Very low	40.1	Very low	40 Å²	40	100.3 Å²	100.3	28%	0.28	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-11.7	176.9	-64.8	0	0	0	0	114.3	I140 D310 S312	I140-S314 PolarHBondContact O-OG 3.32Å; I140-S314 VanDerWaalsContact O-OG 3.09Å; D310-S314 WeakPolarHBondContact O-CB 3.41Å; D310-S314 PolarHBondContact O-N 3.48Å; D310-S314 PolarHBondContact O-OG 3.4Å; S312-S314 PolarHBondContact O-N 3.2Å
315	K	40.5	Very low	39.7	Very low	131 Å²	131	102.5 Å²	102.5	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-94	-28.4	169.9	-80.9	-172.8	173.5	-173.1	0	113.3	S312 I313	S312-K315 PolarHBondContact O-N 2.98Å; S312-K315 VanDerWaalsContact O-N 3.11Å; I313-K315 PolarHBondContact O-N 3.09Å; I313-K315 VanDerWaalsContact O-N 3.15Å
316	N	38.6	Very low	39.3	Very low	117 Å²	117	107 Å²	107	63%	0.626	55%	0.55	S	S	*	.	H	α-helix	trans	-86.6	-24.2	-178.1	-70.5	11	0	0	0	113.6	S312 I313 I318	S312-N316 PolarHBondContact O-N 2.94Å; S312-N316 PolarHBondContact O-OD1 3.25Å; I313-N316 PolarHBondContact O-N 2.84Å; I313-N316 VanDerWaalsContact O-N 3.09Å; N316-I318 PolarHBondContact O-N 3.5Å
317	I	41	Very low	38.9	Very low	132 Å²	132	112 Å²	112	68%	0.677	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-7	-177.1	-73.7	178.9	0	0	0	114	I313	I313-I317 HydrophobicContact CG2-CD1 3.49Å; I313-I317 VanDerWaalsContact CG2-CD1 3.49Å; I313-I317 HydrophobicContact CG2-CG1 4.21Å; I313-I317 WeakPolarHBondContact O-CG1 3.2Å; I313-I317 PolarHBondContact O-N 2.85Å; I313-I317 VanDerWaalsContact O-N 3.09Å
318	I	39.8	Very low	38.5	Very low	126 Å²	126	117.2 Å²	117.2	65%	0.646	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-14.4	-171.6	-67.4	177.7	0	0	0	113.9	N316	N316-I318 PolarHBondContact O-N 3.5Å
319	N	32.5	Very low	38.1	Very low	139 Å²	139	118.1 Å²	118.1	74%	0.743	60%	0.601	S	S	*	*	S	Bend	trans	-142.1	92.7	179.8	-77.9	-33.7	0	0	0	112.6
320	E	35.3	Very low	37.7	Very low	196 Å²	196	121.3 Å²	121.3	92%	0.916	62%	0.624	S	S	*	*			trans	-177.1	160.8	148.2	-106.2	159.5	-149.9	0	0	111.2
321	N	32.5	Very low	37.4	Very low	148 Å²	148	125.7 Å²	125.7	79%	0.791	65%	0.647	S	S	*	*			trans	-117.9	142.1	-163.6	-66.7	-63.8	0	0	0	115.1
322	N	32.9	Very low	37.3	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	67%	0.666	S	S	*	*			trans	59.3	127.9	143.1	-61.5	-13.8	0	0	0	123.6
323	N	33.3	Very low	36.9	Very low	126 Å²	126	129.9 Å²	129.9	67%	0.674	68%	0.679	S	S	*	*			trans	97.2	109.2	140.6	-72.8	30	0	0	0	124.6
324	E	32.8	Very low	36.7	Very low	146 Å²	146	129.1 Å²	129.1	68%	0.682	68%	0.678	S	S	*	*				94.1	120.8	122.3	-71.8	-169.1	-122.5	0	0	126.3
325	N	34.9	Very low	36.2	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	69%	0.693	S	S	*	*			trans	63.2	148.9	131.7	-72.8	-42	0	0	0	123
326	K	36.8	Very low	36.1	Very low	169 Å²	169	130 Å²	130	74%	0.735	69%	0.693	S	S	*	*			cis	-176.3	163.8	-20.4	-151.2	-171.7	169.3	-178.2	0	111
327	I	37.8	Very low	36	Very low	137 Å²	137	130 Å²	130	70%	0.703	70%	0.698	S	S	*	*			trans	71.8	147.5	158.1	-63.3	-168.6	0	0	0	118.8
328	H	36.7	Very low	35.7	Very low	166 Å²	166	127.6 Å²	127.6	77%	0.769	69%	0.692	S	S	*	*			cis	-162	-174.2	-35.2	-133.3	-93.5	0	0	0	114.1
329	T	36.2	Very low	35.5	Very low	103 Å²	103	126.6 Å²	126.6	63%	0.632	69%	0.693	S	S	*	*			trans	-79.8	171.3	-166.5	50.9	0	0	0	0	120.7
330	T	37.2	Very low	35.6	Very low	136 Å²	136	123.6 Å²	123.6	83%	0.834	68%	0.679	S	S	*	*			trans	-140.7	176.4	151.8	-7.8	0	0	0	0	112.6
331	N	36.6	Very low	35.6	Very low	139 Å²	139	119.1 Å²	119.1	74%	0.743	67%	0.665	S	S	*	*			trans	-137.9	-174.8	176.4	-61.5	-82.7	0	0	0	109.1
332	T	36	Very low	35.7	Very low	120 Å²	120	114.7 Å²	114.7	74%	0.736	64%	0.644	S	S	*	*			cis	-163.1	151.5	11.6	-15.9	0	0	0	0	105.3
333	T	35.3	Very low	35.8	Very low	114 Å²	114	113.6 Å²	113.6	70%	0.699	64%	0.643	S	S	*	*			cis	83.6	118.2	23.5	-38.1	0	0	0	0	116.3
334	T	38	Very low	35.9	Very low	58 Å²	58	113.4 Å²	113.4	36%	0.356	65%	0.646	S	S	.	*			trans	156.4	135.2	148.7	39.9	0	0	0	0	110.6	T167 T168	T167-T334 PolarHBondContact N-O 3.25Å; T168-T334 HydrophobicContact CG2-CG2 4.2Å
335	T	36.2	Very low	36.1	Very low	97 Å²	97	112.8 Å²	112.8	60%	0.595	65%	0.648	S	S	*	*			cis	90.4	120.2	20.2	70.6	0	0	0	0	117.9	T167 T168	T167-T335 CarbonylContact C-O 3.55Å; T167-T335 CarbonylContact O-C 3.53Å; T167-T335 VanDerWaalsContact O-C 3.24Å; T168-T335 PolarHBondContact N-O 2.94Å; T168-T335 VanDerWaalsContact N-O 3.1Å
336	T	37.3	Very low	36.2	Very low	92 Å²	92	112.5 Å²	112.5	56%	0.564	65%	0.646	S	S	*	*			trans	-157.8	146.1	145	30.1	0	0	0	0	108.3	T167 T168	T167-T336 WeakPolarHBondContact O-CB 3.4Å; T167-T336 WeakPolarHBondContact O-CG2 3.18Å; T167-T336 PolarHBondContact O-OG1 3.31Å; T168-T336 VanDerWaalsContact O-CG2 3.23Å; T168-T336 WeakPolarHBondContact O-CG2 3.35Å
337	T	37.6	Very low	36.2	Very low	119 Å²	119	110 Å²	110	73%	0.73	64%	0.64	S	S	*	*			cis	-173.5	142.1	-31.5	8.9	0	0	0	0	107.2
338	S	35.3	Very low	36.3	Very low	80 Å²	80	109.1 Å²	109.1	56%	0.559	64%	0.637	S	S	*	*			trans	-161	-144	168	64.9	0	0	0	0	112.8	K205	K205-S338 WeakPolarHBondContact CD-O 3.1Å; K205-S338 WeakPolarHBondContact CE-O 3.24Å; K205-S338 PolarHBondContact NZ-O 3.33Å
339	T	35	Very low	36.4	Very low	106 Å²	106	106.9 Å²	106.9	65%	0.65	63%	0.631	S	S	*	*			trans	-144.6	164.4	-143.5	41.8	0	0	0	0	110.7
340	T	34.7	Very low	36.5	Very low	76 Å²	76	108.4 Å²	108.4	47%	0.466	64%	0.635	S	S	.	*			cis	-156	156.4	-16.3	23.4	0	0	0	0	107.2	T206 E207 N208	T206-T340 WeakPolarHBondContact O-CA 3.21Å; E207-T340 CarbonylContact O-C 3.44Å; E207-T340 WeakPolarHBondContact O-CA 3.49Å; E207-T340 WeakPolarHBondContact O-CB 3.39Å; E207-T340 WeakPolarHBondContact O-CG2 3.46Å; N208-T340 HydrophobicContact CB-CG2 4.28Å
341	T	34.6	Very low	36.5	Very low	101 Å²	101	108.7 Å²	108.7	62%	0.62	63%	0.632	S	S	*	*			trans	-130.4	-109	167.6	40.5	0	0	0	0	113	K205 E207	K205-T341 PolarHBondContact O-OG1 3.21Å; E207-T341 PolarHBondContact O-N 3.42Å
342	T	35.4	Very low	36.5	Very low	56 Å²	56	108 Å²	108	34%	0.344	63%	0.632	S	S	.	*			cis	-161.3	144.8	-8.4	-38.7	0	0	0	0	109.8	T206 E207	T206-T342 WeakPolarHBondContact CA-OG1 3.08Å; T206-T342 HydrophobicContact CG2-CG2 3.89Å; T206-T342 WeakPolarHBondContact CG2-OG1 3.32Å; E207-T342 PolarHBondContact N-OG1 3.04Å
343	T	35.1	Very low	36.4	Very low	120 Å²	120	109.4 Å²	109.4	74%	0.736	63%	0.634	S	S	*	*			trans	65.2	164	154.8	26.3	0	0	0	0	119.4
344	T	35.6	Very low	36.5	Very low	121 Å²	121	112.7 Å²	112.7	74%	0.742	64%	0.638	S	S	*	*			cis	-129.2	-126	-15.7	-29.4	0	0	0	0	113.7
345	N	35.1	Very low	36.4	Very low	134 Å²	134	119.6 Å²	119.6	72%	0.717	66%	0.663	S	S	*	*			trans	177	-171	-153.6	-164.8	3.2	0	0	0	110
346	N	37.8	Very low	36.6	Very low	119 Å²	119	120.6 Å²	120.6	64%	0.636	67%	0.67	S	S	*	*			trans	86.1	150.2	152.9	-68.2	-27.7	0	0	0	121.4
347	N	37.5	Very low	37.1	Very low	115 Å²	115	121.7 Å²	121.7	62%	0.615	68%	0.676	S	S	*	*			cis	-175.6	170.8	-33.7	-131.8	-30.6	0	0	0	113.5
348	N	39	Very low	37.3	Very low	119 Å²	119	121 Å²	121	64%	0.636	67%	0.668	S	S	*	*			trans	70.5	156.5	148.6	-65.5	-14	0	0	0	121
349	N	38.6	Very low	37.9	Very low	119 Å²	119	119.6 Å²	119.6	64%	0.636	66%	0.658	S	S	*	*			cis	-172.5	178.4	-25	-101.2	-13.2	0	0	0	111.4
350	N	38.3	Very low	38.8	Very low	136 Å²	136	124 Å²	124	73%	0.727	66%	0.662	S	S	*	*			trans	83.2	148	161.7	-42.8	-64.2	0	0	0	115.1
351	N	37.5	Very low	39.6	Very low	142 Å²	142	122.7 Å²	122.7	76%	0.759	66%	0.659	S	S	*	*			cis	-169.4	162.4	-12.9	-113.4	-23.5	0	0	0	107.8
352	V	35.6	Very low	40.8	Very low	124 Å²	124	120.5 Å²	120.5	75%	0.752	65%	0.652	S	S	*	*			cis	-156	-144.5	-3.3	67.5	0	0	0	0	107.9
353	I	34.3	Very low	42.2	Very low	149 Å²	149	122.6 Å²	122.6	76%	0.764	65%	0.654	S	S	*	*			trans	82.4	138	173.5	-51.2	-176.5	0	0	0	116.1
354	K	37.2	Very low	44	Very low	184 Å²	184	124 Å²	124	80%	0.8	65%	0.65	S	S	*	*			trans	52.2	83	-179.1	-79.4	-173	175.4	-177.9	0	116.1	T356	K354-T356 VanDerWaalsContact C-N 3.26Å; K354-T356 PolarHBondContact O-N 3.49Å
355	K	36.4	Very low	45.5	Very low	203 Å²	203	126.8 Å²	126.8	88%	0.883	65%	0.648	S	S	*	*			trans	-64.1	89.8	143.9	-81.7	-174.4	176.1	179.4	0	108.8	T357	K355-T357 PolarHBondContact O-N 2.89Å
356	T	41.4	Very low	47.2	Very low	118 Å²	118	122 Å²	122	72%	0.724	62%	0.622	S	S	*	*			trans	-68.7	103.7	151.6	46.6	0	0	0	0	106.6	K354 D358	K354-T356 VanDerWaalsContact C-N 3.26Å; K354-T356 PolarHBondContact O-N 3.49Å; T356-D358 PolarHBondContact O-N 3.47Å
357	T	46.7	Very low	49.1	Very low	115 Å²	115	120.8 Å²	120.8	71%	0.706	62%	0.619	S	S	*	*			trans	-65.8	97.9	172.8	44.2	0	0	0	0	108.2	K355 C359	K355-T357 PolarHBondContact O-N 2.89Å; T357-C359 VanDerWaalsContact C-N 3.32Å; T357-C359 PolarHBondContact O-N 3.42Å; T357-C359 PolarHBondContact O-SG 3.5Å
358	D	42.1	Very low	50.6	Low	104 Å²	104	124.1 Å²	124.1	56%	0.556	62%	0.623	S	S	*	*			trans	-72.4	86.3	-176.6	-176.3	14.1	0	0	0	110.7	T356 R360 A361	T356-D358 PolarHBondContact O-N 3.47Å; D358-R360 PolarHBondContact O-N 2.81Å; D358-R360 WeakPolarHBondContact OD1-CB 3.24Å; D358-R360 PolarHBondContact OD1-N 2.96Å; D358-R360 VanDerWaalsContact OD1-N 3.16Å; D358-A361 VanDerWaalsContact O-CB 3.27Å; D358-A361 WeakPolarHBondContact O-CB 3.49Å; D358-A361 PolarHBondContact O-N 3.18Å
359	C	47.4	Very low	51.8	Low	51 Å²	51	128.5 Å²	128.5	35%	0.345	63%	0.631	S	S	.	*	H	α-helix	trans	-59.8	-15.1	178.3	-62.5	0	0	0	0	113	H122 T357 A361 A362 Y363	H122-C359 WeakPolarHBondContact NE2-CB 3.2Å; H122-C359 PolarHBondContact NE2-SG 3.27Å; T357-C359 VanDerWaalsContact C-N 3.32Å; T357-C359 PolarHBondContact O-N 3.42Å; T357-C359 PolarHBondContact O-SG 3.5Å; C359-A361 PolarHBondContact O-N 3.29Å; C359-A362 WeakPolarHBondContact O-CB 3.05Å; C359-A362 PolarHBondContact O-N 3.14Å; C359-A362 VanDerWaalsContact O-N 3.13Å; C359-Y363 PolarHBondContact O-N 3.16Å
360	R	54.1	Low	53.2	Low	198 Å²	198	124.7 Å²	124.7	75%	0.747	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-32.7	170.2	-153.2	177.4	-165.8	172.7	6.5	111.6	D358	D358-R360 PolarHBondContact O-N 2.81Å; D358-R360 WeakPolarHBondContact OD1-CB 3.24Å; D358-R360 PolarHBondContact OD1-N 2.96Å; D358-R360 VanDerWaalsContact OD1-N 3.16Å
361	A	51.1	Low	54.7	Low	48 Å²	48	120.8 Å²	120.8	40%	0.397	59%	0.586	S	S	.	*	H	α-helix	trans	-67.2	-36.4	173.2	0	0	0	0	0	112.2	D358 C359 Y363 K364 Y365	D358-A361 VanDerWaalsContact O-CB 3.27Å; D358-A361 WeakPolarHBondContact O-CB 3.49Å; D358-A361 PolarHBondContact O-N 3.18Å; C359-A361 PolarHBondContact O-N 3.29Å; A361-Y363 PolarHBondContact O-N 3.07Å; A361-K364 VanDerWaalsContact O-CB 3.3Å; A361-K364 WeakPolarHBondContact O-CB 3.5Å; A361-K364 PolarHBondContact O-N 3.45Å; A361-Y365 VanDerWaalsContact O-CD2 3.29Å; A361-Y365 WeakPolarHBondContact O-CD2 3.21Å
362	A	61.6	Low	56.2	Low	56 Å²	56	115.7 Å²	115.7	46%	0.463	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-40.7	179.4	0	0	0	0	0	112	C359 K364 Y365 L366	C359-A362 WeakPolarHBondContact O-CB 3.05Å; C359-A362 PolarHBondContact O-N 3.14Å; C359-A362 VanDerWaalsContact O-N 3.13Å; A362-K364 PolarHBondContact O-N 2.86Å; A362-K364 VanDerWaalsContact O-N 3.12Å; A362-Y365 PolarHBondContact O-N 2.95Å; A362-Y365 VanDerWaalsContact O-N 3.1Å; A362-L366 PolarHBondContact O-N 3.21Å
363	Y	64.6	Low	57.7	Low	100 Å²	100	114.1 Å²	114.1	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-57.5	-29.3	178	-168.7	-95.6	0	0	0	113.1	C359 A361 Y365 L366 K371	C359-Y363 PolarHBondContact O-N 3.16Å; A361-Y363 PolarHBondContact O-N 3.07Å; Y363-Y365 VanDerWaalsContact C-N 3.34Å; Y363-Y365 PolarHBondContact O-N 3.37Å; Y363-L366 HydrophobicContact CD2-CD1 3.71Å; Y363-L366 HydrophobicContact CE2-CD1 4.25Å; Y363-L366 HydrophobicContact CG-CD1 4.36Å; Y363-K371 HydrophobicContact CE1-CG 4.48Å; Y363-K371 HydrophobicContact CE2-CG 4.34Å; Y363-K371 WeakPolarHBondContact O-CE 2.99Å; Y363-K371 PolarHBondContact O-NZ 2.8Å
364	K	71.8	Confident	58.9	Low	149 Å²	149	112.8 Å²	112.8	65%	0.648	52%	0.524	S	S	*	.	H	α-helix	trans	-60.6	-42.6	177.7	-167.7	180	-179	-176.4	0	111.9	A361 A362 K371	A361-K364 VanDerWaalsContact O-CB 3.3Å; A361-K364 WeakPolarHBondContact O-CB 3.5Å; A361-K364 PolarHBondContact O-N 3.45Å; A362-K364 PolarHBondContact O-N 2.86Å; A362-K364 VanDerWaalsContact O-N 3.12Å; K364-K371 PolarHBondContact O-NZ 3.34Å
365	Y	68.7	Low	60.2	Low	179 Å²	179	109.3 Å²	109.3	70%	0.702	51%	0.506	S	S	*	.	H	α-helix	trans	-90.8	-9.7	-171.1	-58.7	-71.8	0	0	0	114.9	A361 A362 Y363 T367	A361-Y365 VanDerWaalsContact O-CD2 3.29Å; A361-Y365 WeakPolarHBondContact O-CD2 3.21Å; A362-Y365 PolarHBondContact O-N 2.95Å; A362-Y365 VanDerWaalsContact O-N 3.1Å; Y363-Y365 VanDerWaalsContact C-N 3.34Å; Y363-Y365 PolarHBondContact O-N 3.37Å; Y365-T367 PolarHBondContact O-N 2.89Å
366	L	70.5	Confident	61.9	Low	35 Å²	35	106.5 Å²	106.5	18%	0.183	49%	0.49	C	S	.	.	S	Bend	trans	-56.7	138.1	172.9	-56.5	179.1	0	0	0	110.8	A362 Y363 E370 K371	A362-L366 PolarHBondContact O-N 3.21Å; Y363-L366 HydrophobicContact CD2-CD1 3.71Å; Y363-L366 HydrophobicContact CE2-CD1 4.25Å; Y363-L366 HydrophobicContact CG-CD1 4.36Å; L366-E370 HydrophobicContact CB-CB 4.28Å; L366-E370 HydrophobicContact CB-CG 3.91Å; L366-E370 HydrophobicContact CD1-CG 4.16Å; L366-E370 HydrophobicContact CD2-CG 3.8Å; L366-E370 HydrophobicContact CG-CG 4.14Å; L366-K371 HydrophobicContact CB-CD 4.49Å; L366-K371 HydrophobicContact CB-CG 3.85Å; L366-K371 WeakPolarHBondContact O-CD 3.45Å; L366-K371 WeakPolarHBondContact O-CE 3.38Å; L366-K371 PolarHBondContact O-NZ 2.95Å
367	T	76	Confident	63.6	Low	92 Å²	92	102.6 Å²	102.6	56%	0.564	46%	0.463	S	S	*	.			trans	-63	163.2	175.9	68.2	0	0	0	0	110.9	Y365 R369 E370 K371	Y365-T367 PolarHBondContact O-N 2.89Å; T367-R369 PolarHBondContact O-N 3.28Å; T367-E370 PolarHBondContact O-N 3.15Å; T367-E370 PolarHBondContact OG1-N 3.04Å; T367-E370 VanDerWaalsContact OG1-N 3.16Å; T367-K371 WeakPolarHBondContact O-CB 3.38Å; T367-K371 WeakPolarHBondContact O-CG 3.27Å; T367-K371 PolarHBondContact O-N 3.29Å
368	W	69.4	Low	65.2	Low	185 Å²	185	101 Å²	101	70%	0.701	44%	0.444	S	S	*	.	H	α-helix	trans	-58.1	-38	174.6	-174.9	92.4	0	0	0	111.7	K371 D372	W368-K371 PolarHBondContact O-N 3.14Å; W368-D372 HydrophobicContact CE3-CB 4.43Å; W368-D372 HydrophobicContact CZ3-CB 4.36Å; W368-D372 WeakPolarHBondContact O-CB 3.34Å; W368-D372 PolarHBondContact O-N 3.49Å
369	R	65.2	Low	67.1	Low	212 Å²	212	101.5 Å²	101.5	80%	0.8	44%	0.443	S	S	*	.	H	α-helix	trans	-62.1	-42.9	175.4	-68.4	-176.3	173.9	110.5	-1.6	112.6	T367 D372 R373	T367-R369 PolarHBondContact O-N 3.28Å; R369-D372 PolarHBondContact O-N 3.03Å; R369-R373 WeakPolarHBondContact O-CB 3.41Å; R369-R373 PolarHBondContact O-N 3.38Å
370	E	68.5	Low	68.7	Low	38 Å²	38	102.2 Å²	102.2	18%	0.178	44%	0.442	C	S	.	.	H	α-helix	trans	-73.7	-32.1	177.4	173.9	56.2	-156.9	0	0	112.2	L366 T367 D372 R373 R374	L366-E370 HydrophobicContact CB-CB 4.28Å; L366-E370 HydrophobicContact CB-CG 3.91Å; L366-E370 HydrophobicContact CD1-CG 4.16Å; L366-E370 HydrophobicContact CD2-CG 3.8Å; L366-E370 HydrophobicContact CG-CG 4.14Å; T367-E370 PolarHBondContact O-N 3.15Å; T367-E370 PolarHBondContact OG1-N 3.04Å; T367-E370 VanDerWaalsContact OG1-N 3.16Å; E370-D372 VanDerWaalsContact C-N 3.34Å; E370-R373 IonicContact OE1-NH1 2.62Å; E370-R373 WeakPolarHBondContact OE2-CD 3.5Å; E370-R373 IonicContact OE2-CZ 2.88Å; E370-R373 IonicContact OE2-NH1 3.07Å; E370-R373 PolarHBondContact OE2-NH1 3.46Å; E370-R374 WeakPolarHBondContact O-CG 3.26Å; E370-R374 PolarHBondContact O-N 3.01Å; E370-R374 IonicContact OE1-CZ 3.69Å; E370-R374 IonicContact OE1-NE 2.8Å; E370-R374 PolarHBondContact OE1-NE 3.39Å; E370-R374 IonicContact OE1-NH2 3.77Å; E370-R374 PolarHBondContact OE1-NH2 2.85Å
371	K	68.9	Low	70.3	Confident	55 Å²	55	93.5 Å²	93.5	24%	0.239	41%	0.408	C	S	.	.	H	α-helix	trans	-67.3	-32.6	169.6	-74.3	169.3	172.5	139.3	0	112.7	Y363 K364 L366 T367 W368 R375	Y363-K371 HydrophobicContact CE1-CG 4.48Å; Y363-K371 HydrophobicContact CE2-CG 4.34Å; Y363-K371 WeakPolarHBondContact O-CE 2.99Å; Y363-K371 PolarHBondContact O-NZ 2.8Å; K364-K371 PolarHBondContact O-NZ 3.34Å; L366-K371 HydrophobicContact CB-CD 4.49Å; L366-K371 HydrophobicContact CB-CG 3.85Å; L366-K371 WeakPolarHBondContact O-CD 3.45Å; L366-K371 WeakPolarHBondContact O-CE 3.38Å; L366-K371 PolarHBondContact O-NZ 2.95Å; T367-K371 WeakPolarHBondContact O-CB 3.38Å; T367-K371 WeakPolarHBondContact O-CG 3.27Å; T367-K371 PolarHBondContact O-N 3.29Å; W368-K371 PolarHBondContact O-N 3.14Å; K371-R375 WeakPolarHBondContact O-CG 3.42Å
372	D	69	Low	72	Confident	35 Å²	35	93.1 Å²	93.1	19%	0.187	40%	0.398	C	S	.	.	H	α-helix	trans	-81.2	-35.6	177	-158.5	71.5	0	0	0	112.1	W368 R369 E370 R374 R375 R376 K408	W368-D372 HydrophobicContact CE3-CB 4.43Å; W368-D372 HydrophobicContact CZ3-CB 4.36Å; W368-D372 WeakPolarHBondContact O-CB 3.34Å; W368-D372 PolarHBondContact O-N 3.49Å; R369-D372 PolarHBondContact O-N 3.03Å; E370-D372 VanDerWaalsContact C-N 3.34Å; D372-R374 VanDerWaalsContact C-N 3.29Å; D372-R374 PolarHBondContact O-N 3.21Å; D372-R375 CarbonylContact O-C 3.54Å; D372-R375 WeakPolarHBondContact O-CA 3.17Å; D372-R375 WeakPolarHBondContact O-CB 3.11Å; D372-R375 PolarHBondContact O-N 2.71Å; D372-R376 PolarHBondContact O-N 3.25Å; D372-K408 VanDerWaalsContact OD1-CE 3.27Å; D372-K408 WeakPolarHBondContact OD1-CE 3.2Å; D372-K408 IonicContact OD1-NZ 2.65Å; D372-K408 PolarHBondContact OD1-NZ 3.24Å; D372-K408 IonicContact OD2-NZ 3.66Å
373	R	66.2	Low	73.2	Confident	90 Å²	90	93.2 Å²	93.2	34%	0.34	39%	0.389	S	S	.	.	H	α-helix	trans	-53.2	-46.6	168.2	178.6	176.5	163.7	-135.8	5.3	111.2	R369 E370 R375 R376 D1119	R369-R373 WeakPolarHBondContact O-CB 3.41Å; R369-R373 PolarHBondContact O-N 3.38Å; E370-R373 IonicContact OE1-NH1 2.62Å; E370-R373 WeakPolarHBondContact OE2-CD 3.5Å; E370-R373 IonicContact OE2-CZ 2.88Å; E370-R373 IonicContact OE2-NH1 3.07Å; E370-R373 PolarHBondContact OE2-NH1 3.46Å; R373-R375 PolarHBondContact O-N 3.47Å; R373-R375 VanDerWaalsContact O-N 3.14Å; R373-R376 WeakPolarHBondContact O-CB 3.42Å; R373-R376 WeakPolarHBondContact O-CG 3.42Å; R373-R376 PolarHBondContact O-N 2.97Å; R373-R376 VanDerWaalsContact O-N 3.15Å; R373-D1119 IonicContact CZ-OD1 3.96Å; R373-D1119 IonicContact NE-OD1 2.66Å; R373-D1119 PolarHBondContact NE-OD1 3.21Å; R373-D1119 IonicContact NH2-OD1 2.83Å; R373-D1119 PolarHBondContact NH2-OD1 3.47Å
374	R	61	Low	74.3	Confident	121 Å²	121	88.8 Å²	88.8	46%	0.457	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.2	174.4	-66.8	178.9	-171.4	-134.2	-0.9	115	E370 D372	E370-R374 WeakPolarHBondContact O-CG 3.26Å; E370-R374 PolarHBondContact O-N 3.01Å; E370-R374 IonicContact OE1-CZ 3.69Å; E370-R374 IonicContact OE1-NE 2.8Å; E370-R374 PolarHBondContact OE1-NE 3.39Å; E370-R374 IonicContact OE1-NH2 3.77Å; E370-R374 PolarHBondContact OE1-NH2 2.85Å; D372-R374 VanDerWaalsContact C-N 3.29Å; D372-R374 PolarHBondContact O-N 3.21Å
375	R	64.3	Low	75.1	Confident	112 Å²	112	83.2 Å²	83.2	42%	0.423	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.9	174.9	-69.2	170	179.5	-110.9	-3.6	113.3	K371 D372 R373 K408	K371-R375 WeakPolarHBondContact O-CG 3.42Å; D372-R375 CarbonylContact O-C 3.54Å; D372-R375 WeakPolarHBondContact O-CA 3.17Å; D372-R375 WeakPolarHBondContact O-CB 3.11Å; D372-R375 PolarHBondContact O-N 2.71Å; R373-R375 PolarHBondContact O-N 3.47Å; R373-R375 VanDerWaalsContact O-N 3.14Å; R375-K408 WeakPolarHBondContact O-CA 3.37Å
376	R	70.5	Confident	76.2	Confident	144 Å²	144	74.7 Å²	74.7	54%	0.543	31%	0.313	S	S	.	.	S	Bend	trans	-66.9	154.1	174.3	-67.4	176.5	173.7	-158.7	-5.2	111.1	D372 R373 R378 W381 R407	D372-R376 PolarHBondContact O-N 3.25Å; R373-R376 WeakPolarHBondContact O-CB 3.42Å; R373-R376 WeakPolarHBondContact O-CG 3.42Å; R373-R376 PolarHBondContact O-N 2.97Å; R373-R376 VanDerWaalsContact O-N 3.15Å; R376-R378 PolarHBondContact O-N 3.15Å; R376-W381 WeakPolarHBondContact O-CH2 3.31Å; R376-W381 WeakPolarHBondContact O-CZ3 3.46Å; R376-R407 CarbonylContact C-O 3.32Å
377	F	77.3	Confident	77.2	Confident	35 Å²	35	73 Å²	73	15%	0.154	31%	0.305	C	S	.	.			trans	-47.1	135.7	178.9	-172.3	-89.4	0	0	0	112.1	W381 K382 V387 P389 V395 R407 I412	F377-W381 VanDerWaalsContact CA-CZ3 3.42Å; F377-W381 HydrophobicContact CD2-CE3 4.23Å; F377-W381 HydrophobicContact CE2-CB 4.48Å; F377-K382 HydrophobicContact CE1-CG 4.07Å; F377-K382 HydrophobicContact CZ-CG 3.72Å; F377-V387 HydrophobicContact CE2-CB 4.25Å; F377-V387 HydrophobicContact CE2-CG2 3.78Å; F377-V387 HydrophobicContact CZ-CG2 4.37Å; F377-P389 HydrophobicContact CE1-CG 4.46Å; F377-V395 HydrophobicContact CB-CG2 4.44Å; F377-V395 HydrophobicContact CD2-CB 4.5Å; F377-V395 HydrophobicContact CD2-CG1 3.99Å; F377-V395 HydrophobicContact CD2-CG2 3.6Å; F377-V395 HydrophobicContact CE2-CG1 3.83Å; F377-V395 HydrophobicContact CE2-CG2 4.24Å; F377-V395 HydrophobicContact CG-CG2 4.33Å; F377-R407 HydrophobicContact CB-CB 4.1Å; F377-R407 PolarHBondContact N-O 3.33Å; F377-I412 HydrophobicContact CD2-CD1 4.26Å
378	R	81.1	Confident	77.9	Confident	82 Å²	82	69.5 Å²	69.5	31%	0.309	28%	0.282	S	S	.	.			trans	-127.9	156.6	175	-55.5	-178	166.5	-158.1	-10.6	111.5	R376 E380 W381	R376-R378 PolarHBondContact O-N 3.15Å; R378-E380 VanDerWaalsContact C-N 3.33Å; R378-E380 WeakPolarHBondContact CB-OE2 3.49Å; R378-E380 WeakPolarHBondContact CD-OE1 3.37Å; R378-E380 IonicContact CZ-OE1 2.57Å; R378-E380 IonicContact NE-OE1 3.88Å; R378-E380 IonicContact NH1-OE1 2.91Å; R378-E380 PolarHBondContact NH1-OE1 3.1Å; R378-E380 PolarHBondContact O-N 3.19Å; R378-W381 HydrophobicContact CB-CD2 4.23Å; R378-W381 HydrophobicContact CB-CZ2 4.06Å; R378-W381 HydrophobicContact CG-CH2 4.07Å; R378-W381 HydrophobicContact CG-CZ2 3.59Å; R378-W381 WeakPolarHBondContact O-CB 3.3Å; R378-W381 PolarHBondContact O-N 2.84Å; R378-W381 VanDerWaalsContact O-N 3.12Å
379	E	81.4	Confident	78.8	Confident	115 Å²	115	63.4 Å²	63.4	54%	0.537	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.2	-175	-160.9	68.3	175.7	0	0	112.5	W381 K382	E379-W381 PolarHBondContact O-N 2.84Å; E379-K382 HydrophobicContact CG-CD 4.41Å; E379-K382 VanDerWaalsContact O-CB 3.3Å; E379-K382 WeakPolarHBondContact O-CB 2.95Å; E379-K382 WeakPolarHBondContact O-CG 3.27Å; E379-K382 PolarHBondContact O-N 3.44Å; E379-K382 WeakPolarHBondContact OE1-CD 3.03Å; E379-K382 WeakPolarHBondContact OE1-CE 3.5Å; E379-K382 IonicContact OE1-NZ 2.84Å; E379-K382 PolarHBondContact OE1-NZ 3.48Å; E379-K382 WeakPolarHBondContact OE2-CD 3.12Å; E379-K382 WeakPolarHBondContact OE2-CE 3.25Å; E379-K382 IonicContact OE2-NZ 3.24Å; E379-K382 PolarHBondContact OE2-NZ 2.88Å
380	E	82.3	Confident	79.7	Confident	66 Å²	66	58 Å²	58	31%	0.308	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.4	178.8	69.5	-89.7	-156.2	0	0	113.1	R378 K382 L384	R378-E380 VanDerWaalsContact C-N 3.33Å; R378-E380 WeakPolarHBondContact CB-OE2 3.49Å; R378-E380 WeakPolarHBondContact CD-OE1 3.37Å; R378-E380 IonicContact CZ-OE1 2.57Å; R378-E380 IonicContact NE-OE1 3.88Å; R378-E380 IonicContact NH1-OE1 2.91Å; R378-E380 PolarHBondContact NH1-OE1 3.1Å; R378-E380 PolarHBondContact O-N 3.19Å; E380-K382 VanDerWaalsContact C-N 3.28Å; E380-K382 PolarHBondContact O-N 3.48Å; E380-L384 HydrophobicContact CB-CD1 4.43Å; E380-L384 HydrophobicContact CG-CD1 4.39Å; E380-L384 WeakPolarHBondContact O-CB 3.42Å; E380-L384 VanDerWaalsContact O-CD1 3.28Å; E380-L384 WeakPolarHBondContact O-CD1 3.44Å; E380-L384 VanDerWaalsContact O-CG 3.23Å; E380-L384 WeakPolarHBondContact O-CG 3.49Å; E380-L384 PolarHBondContact O-N 2.89Å
381	W	86.4	Confident	80.4	Confident	14 Å²	14	59.1 Å²	59.1	5%	0.053	27%	0.269	C	S	.	.	H	α-helix	trans	-74.8	-17.9	179	-54.6	-11.9	0	0	0	113.2	R376 F377 R378 E379 W385 V387 V409 I412	R376-W381 WeakPolarHBondContact O-CH2 3.31Å; R376-W381 WeakPolarHBondContact O-CZ3 3.46Å; F377-W381 VanDerWaalsContact CA-CZ3 3.42Å; F377-W381 HydrophobicContact CD2-CE3 4.23Å; F377-W381 HydrophobicContact CE2-CB 4.48Å; R378-W381 HydrophobicContact CB-CD2 4.23Å; R378-W381 HydrophobicContact CB-CZ2 4.06Å; R378-W381 HydrophobicContact CG-CH2 4.07Å; R378-W381 HydrophobicContact CG-CZ2 3.59Å; R378-W381 WeakPolarHBondContact O-CB 3.3Å; R378-W381 PolarHBondContact O-N 2.84Å; R378-W381 VanDerWaalsContact O-N 3.12Å; E379-W381 PolarHBondContact O-N 2.84Å; W381-W385 PolarHBondContact O-N 3.29Å; W381-V387 HydrophobicContact CB-CG2 4.33Å; W381-V387 WeakPolarHBondContact O-CG2 3.26Å; W381-V409 HydrophobicContact CD2-CG2 4.49Å; W381-V409 HydrophobicContact CE3-CG2 4.37Å; W381-V409 HydrophobicContact CH2-CB 4.43Å; W381-V409 HydrophobicContact CH2-CG2 3.14Å; W381-V409 HydrophobicContact CZ2-CG2 3.27Å; W381-V409 HydrophobicContact CZ3-CG2 3.71Å; W381-I412 HydrophobicContact CE3-CD1 3.71Å; W381-I412 HydrophobicContact CZ3-CD1 4.15Å
382	K	88.1	Confident	80.7	Confident	40 Å²	40	61.6 Å²	61.6	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-56.9	178	-75.2	-176.2	172.6	171.1	0	111.6	F377 E379 E380 L386 V387 F435	F377-K382 HydrophobicContact CE1-CG 4.07Å; F377-K382 HydrophobicContact CZ-CG 3.72Å; E379-K382 HydrophobicContact CG-CD 4.41Å; E379-K382 VanDerWaalsContact O-CB 3.3Å; E379-K382 WeakPolarHBondContact O-CB 2.95Å; E379-K382 WeakPolarHBondContact O-CG 3.27Å; E379-K382 PolarHBondContact O-N 3.44Å; E379-K382 WeakPolarHBondContact OE1-CD 3.03Å; E379-K382 WeakPolarHBondContact OE1-CE 3.5Å; E379-K382 IonicContact OE1-NZ 2.84Å; E379-K382 PolarHBondContact OE1-NZ 3.48Å; E379-K382 WeakPolarHBondContact OE2-CD 3.12Å; E379-K382 WeakPolarHBondContact OE2-CE 3.25Å; E379-K382 IonicContact OE2-NZ 3.24Å; E379-K382 PolarHBondContact OE2-NZ 2.88Å; E380-K382 VanDerWaalsContact C-N 3.28Å; E380-K382 PolarHBondContact O-N 3.48Å; K382-L386 WeakPolarHBondContact O-CA 3.35Å; K382-L386 PolarHBondContact O-N 3.02Å; K382-V387 WeakPolarHBondContact CA-O 3.42Å; K382-V387 WeakPolarHBondContact CG-O 3.22Å; K382-V387 PolarHBondContact O-N 3.37Å; K382-F435 HydrophobicContact CB-CD2 4.42Å; K382-F435 HydrophobicContact CB-CE2 3.66Å; K382-F435 HydrophobicContact CB-CZ 3.75Å; K382-F435 HydrophobicContact CD-CZ 4.07Å; K382-F435 HydrophobicContact CG-CE2 4.33Å; K382-F435 HydrophobicContact CG-CZ 4.23Å; K382-F435 VanDerWaalsContact O-CD2 3.26Å; K382-F435 WeakPolarHBondContact O-CD2 3.5Å
383	H	86.4	Confident	81.2	Confident	58 Å²	58	67.4 Å²	67.4	27%	0.269	30%	0.304	S	S	.	.	H	α-helix	trans	-76	-39.1	-179.5	-47.6	-72.5	0	0	0	111.4	W385 F435	H383-W385 PolarHBondContact O-N 3.19Å; H383-F435 AromaticContact CE1-CD1 3.49Å; H383-F435 VanDerWaalsContact CE1-CD1 3.49Å; H383-F435 WeakPolarHBondContact CE1-CD1 3.27Å; H383-F435 AromaticContact CE1-CE1 3.55Å; H383-F435 AromaticContact ND1-CD1 3.35Å; H383-F435 VanDerWaalsContact ND1-CD1 3.35Å; H383-F435 WeakPolarHBondContact ND1-CD1 3.47Å; H383-F435 AromaticContact ND1-CE1 3.84Å; H383-F435 AromaticContact ND1-CG 3.66Å
384	L	86.6	Confident	82.2	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-36.3	-175.8	-70.6	170.1	0	0	0	114.3	Y119 E380 R431	Y119-L384 WeakPolarHBondContact OH-CD1 3.48Å; E380-L384 HydrophobicContact CB-CD1 4.43Å; E380-L384 HydrophobicContact CG-CD1 4.39Å; E380-L384 WeakPolarHBondContact O-CB 3.42Å; E380-L384 VanDerWaalsContact O-CD1 3.28Å; E380-L384 WeakPolarHBondContact O-CD1 3.44Å; E380-L384 VanDerWaalsContact O-CG 3.23Å; E380-L384 WeakPolarHBondContact O-CG 3.49Å; E380-L384 PolarHBondContact O-N 2.89Å; L384-R431 PolarHBondContact O-NH1 2.82Å
385	W	89.4	Confident	83.7	Confident	31 Å²	31	60.5 Å²	60.5	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-125.2	6.4	-172.4	-51.4	93.3	0	0	0	113.9	W381 H383 V387 I412 K413 T416	W381-W385 PolarHBondContact O-N 3.29Å; H383-W385 PolarHBondContact O-N 3.19Å; W385-V387 HydrophobicContact CB-CG2 4.02Å; W385-I412 HydrophobicContact CB-CG2 3.56Å; W385-I412 HydrophobicContact CD2-CG2 4.49Å; W385-I412 HydrophobicContact CG-CG2 3.79Å; W385-K413 HydrophobicContact CD2-CG 4.09Å; W385-K413 HydrophobicContact CE3-CG 4.06Å; W385-K413 HydrophobicContact CH2-CD 3.83Å; W385-K413 HydrophobicContact CH2-CG 3.78Å; W385-K413 HydrophobicContact CZ2-CD 3.76Å; W385-K413 HydrophobicContact CZ2-CG 3.76Å; W385-K413 HydrophobicContact CZ3-CB 4.28Å; W385-K413 HydrophobicContact CZ3-CD 4.42Å; W385-K413 HydrophobicContact CZ3-CG 3.9Å; W385-T416 HydrophobicContact CE3-CG2 3.83Å; W385-T416 HydrophobicContact CZ3-CG2 4.24Å
386	L	91.3	Very high	85	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	61.1	-178.4	-56.7	-171.1	0	0	0	113.1	K382 C397 L398 V399 L423 R431 L434 F435 L438	K382-L386 WeakPolarHBondContact O-CA 3.35Å; K382-L386 PolarHBondContact O-N 3.02Å; L386-C397 CarbonylContact O-C 3.32Å; L386-C397 WeakPolarHBondContact O-CA 3.13Å; L386-C397 PolarHBondContact O-SG 2.56Å; L386-L398 PolarHBondContact O-N 2.96Å; L386-V399 HydrophobicContact CB-CG2 3.89Å; L386-V399 HydrophobicContact CD1-CG2 3.6Å; L386-V399 HydrophobicContact CG-CG2 4.39Å; L386-L423 HydrophobicContact CB-CD1 4.16Å; L386-L423 HydrophobicContact CD1-CD1 3.71Å; L386-L423 HydrophobicContact CD1-CD2 3.49Å; L386-L423 VanDerWaalsContact CD1-CD2 3.49Å; L386-L423 HydrophobicContact CD1-CG 4.26Å; L386-L423 HydrophobicContact CG-CD1 3.96Å; L386-L423 HydrophobicContact CG-CD2 4.4Å; L386-R431 WeakPolarHBondContact CD2-O 3.45Å; L386-L434 HydrophobicContact CD1-CB 4.44Å; L386-L434 HydrophobicContact CD1-CD2 3.62Å; L386-L434 HydrophobicContact CD1-CG 3.83Å; L386-F435 HydrophobicContact CD2-CB 3.61Å; L386-F435 HydrophobicContact CD2-CD2 4.07Å; L386-F435 HydrophobicContact CD2-CG 4.35Å; L386-L438 HydrophobicContact CD1-CD1 4.02Å
387	V	91.5	Very high	86.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.8	-173.9	-79.5	0	0	0	0	112.6	F377 W381 K382 W385 V395 M396 C397 M404 I412	F377-V387 HydrophobicContact CE2-CB 4.25Å; F377-V387 HydrophobicContact CE2-CG2 3.78Å; F377-V387 HydrophobicContact CZ-CG2 4.37Å; W381-V387 HydrophobicContact CB-CG2 4.33Å; W381-V387 WeakPolarHBondContact O-CG2 3.26Å; K382-V387 WeakPolarHBondContact CA-O 3.42Å; K382-V387 WeakPolarHBondContact CG-O 3.22Å; K382-V387 PolarHBondContact O-N 3.37Å; W385-V387 HydrophobicContact CB-CG2 4.02Å; V387-V395 HydrophobicContact CB-CG1 3.55Å; V387-V395 HydrophobicContact CG1-CG1 3.79Å; V387-V395 HydrophobicContact CG2-CG1 4.25Å; V387-M396 CarbonylContact C-O 3.56Å; V387-M396 VanDerWaalsContact CA-O 3.25Å; V387-M396 WeakPolarHBondContact CA-O 3.48Å; V387-C397 HydrophobicContact CG1-CB 4.19Å; V387-M404 HydrophobicContact CG1-CE 3.8Å; V387-I412 HydrophobicContact CG1-CG2 4.11Å; V387-I412 HydrophobicContact CG2-CG2 4.23Å
388	I	90.8	Very high	86.9	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.6	170.5	56.9	169.3	0	0	0	111.9	Y390 V395 M396 L398 F435 I439 Y442	I388-Y390 PolarHBondContact O-N 3.4Å; I388-V395 CarbonylContact O-C 3.58Å; I388-V395 WeakPolarHBondContact O-CA 2.99Å; I388-M396 HydrophobicContact CD1-CE 3.77Å; I388-M396 HydrophobicContact CG1-CB 4.42Å; I388-M396 HydrophobicContact CG1-CE 3.98Å; I388-M396 PolarHBondContact N-O 3.04Å; I388-M396 PolarHBondContact O-N 3.03Å; I388-L398 HydrophobicContact CD1-CD2 3.87Å; I388-L398 HydrophobicContact CG1-CD2 3.9Å; I388-L398 HydrophobicContact CG2-CD1 4.24Å; I388-L398 HydrophobicContact CG2-CD2 4.23Å; I388-L398 HydrophobicContact CG2-CG 4.38Å; I388-F435 HydrophobicContact CG2-CE2 4.14Å; I388-F435 HydrophobicContact CG2-CZ 4.29Å; I388-I439 HydrophobicContact CG2-CD1 3.75Å; I388-Y442 HydrophobicContact CD1-CD1 3.92Å; I388-Y442 HydrophobicContact CD1-CE1 3.56Å
389	P	88.2	Confident	87.4	Confident	56 Å²	56	45.6 Å²	45.6	36%	0.364	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.9	171.6	26.6	-34.4	0	0	0	110.4	F377	F377-P389 HydrophobicContact CE1-CG 4.46Å
390	Y	84.4	Confident	87.9	Confident	99 Å²	99	42 Å²	42	39%	0.388	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.8	173.5	-160.7	-97.9	0	0	0	107.8	I388 E394 M396 V403 R407	I388-Y390 PolarHBondContact O-N 3.4Å; Y390-E394 PolarHBondContact N-O 3.44Å; Y390-E394 CarbonylContact O-C 3.54Å; Y390-E394 VanDerWaalsContact O-C 3.26Å; Y390-E394 WeakPolarHBondContact O-CA 3.49Å; Y390-E394 VanDerWaalsContact O-CB 3.27Å; Y390-E394 WeakPolarHBondContact O-CB 3.2Å; Y390-E394 PolarHBondContact O-N 3.07Å; Y390-E394 VanDerWaalsContact O-N 3.16Å; Y390-M396 HydrophobicContact CD2-CB 4.14Å; Y390-M396 HydrophobicContact CD2-SD 4.39Å; Y390-M396 HydrophobicContact CE2-SD 4.43Å; Y390-M396 HydrophobicContact CG-CB 4.33Å; Y390-V403 HydrophobicContact CD1-CB 4.47Å; Y390-V403 HydrophobicContact CD1-CG1 3.83Å; Y390-V403 HydrophobicContact CD1-CG2 3.7Å; Y390-V403 HydrophobicContact CD2-CG2 4.49Å; Y390-V403 HydrophobicContact CE1-CG1 4.45Å; Y390-V403 HydrophobicContact CE1-CG2 3.76Å; Y390-V403 HydrophobicContact CG-CG1 4.43Å; Y390-V403 HydrophobicContact CG-CG2 4.08Å; Y390-R407 PolarHBondContact O-NH2 2.97Å
391	G	84	Confident	88.4	Confident	62 Å²	62	43.7 Å²	43.7	64%	0.639	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-145	-172	0	0	0	0	0	114.3	R407	G391-R407 PolarHBondContact O-NH2 3.44Å
392	L	74.8	Confident	88.6	Confident	107 Å²	107	47.5 Å²	47.5	56%	0.56	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-34.6	-179	-65.6	175.8	0	0	0	114.3	R407	L392-R407 PolarHBondContact O-NH1 2.87Å
393	Y	80.1	Confident	88.8	Confident	157 Å²	157	47.8 Å²	47.8	62%	0.616	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.1	4.4	-170.6	-60.3	-68.8	0	0	0	114.2	R407	Y393-R407 WeakPolarHBondContact O-CG 3.37Å; Y393-R407 PolarHBondContact O-N 3.38Å
394	E	86.8	Confident	89	Confident	66 Å²	66	45.6 Å²	45.6	31%	0.308	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	163.3	-172.4	-38	-172.4	116.2	0	0	111.5	Y390 V403 M404 R407	Y390-E394 PolarHBondContact N-O 3.44Å; Y390-E394 CarbonylContact O-C 3.54Å; Y390-E394 VanDerWaalsContact O-C 3.26Å; Y390-E394 WeakPolarHBondContact O-CA 3.49Å; Y390-E394 VanDerWaalsContact O-CB 3.27Å; Y390-E394 WeakPolarHBondContact O-CB 3.2Å; Y390-E394 PolarHBondContact O-N 3.07Å; Y390-E394 VanDerWaalsContact O-N 3.16Å; E394-V403 HydrophobicContact CB-CG1 3.65Å; E394-V403 HydrophobicContact CG-CG1 4.32Å; E394-M404 CarbonylContact C-O 3.16Å; E394-M404 WeakPolarHBondContact CA-O 2.95Å; E394-M404 WeakPolarHBondContact CB-O 3.46Å; E394-R407 VanDerWaalsContact O-CZ 3.24Å; E394-R407 PolarHBondContact O-NE 3.22Å; E394-R407 PolarHBondContact O-NH2 3.42Å
395	V	91.1	Very high	88.9	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	123.5	-179.8	177	0	0	0	0	108.1	F377 V387 I388 M404 R407 I412	F377-V395 HydrophobicContact CB-CG2 4.44Å; F377-V395 HydrophobicContact CD2-CB 4.5Å; F377-V395 HydrophobicContact CD2-CG1 3.99Å; F377-V395 HydrophobicContact CD2-CG2 3.6Å; F377-V395 HydrophobicContact CE2-CG1 3.83Å; F377-V395 HydrophobicContact CE2-CG2 4.24Å; F377-V395 HydrophobicContact CG-CG2 4.33Å; V387-V395 HydrophobicContact CB-CG1 3.55Å; V387-V395 HydrophobicContact CG1-CG1 3.79Å; V387-V395 HydrophobicContact CG2-CG1 4.25Å; I388-V395 CarbonylContact O-C 3.58Å; I388-V395 WeakPolarHBondContact O-CA 2.99Å; V395-M404 HydrophobicContact CB-CE 4.31Å; V395-M404 HydrophobicContact CG1-CE 4.01Å; V395-M404 PolarHBondContact N-O 2.91Å; V395-M404 WeakPolarHBondContact O-CB 3.5Å; V395-M404 PolarHBondContact O-N 2.74Å; V395-R407 HydrophobicContact CG2-CB 4.09Å; V395-R407 HydrophobicContact CG2-CG 3.88Å; V395-I412 HydrophobicContact CG1-CD1 4.18Å; V395-I412 HydrophobicContact CG1-CG1 4.37Å; V395-I412 HydrophobicContact CG2-CD1 4.38Å
396	M	92.1	Very high	88.4	Confident	9 Å²	9	53.2 Å²	53.2	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132	175.8	-173.6	-177.6	61.2	0	0	109.9	V387 I388 Y390 L398 H401 K402 V403 Y442	V387-M396 CarbonylContact C-O 3.56Å; V387-M396 VanDerWaalsContact CA-O 3.25Å; V387-M396 WeakPolarHBondContact CA-O 3.48Å; I388-M396 HydrophobicContact CD1-CE 3.77Å; I388-M396 HydrophobicContact CG1-CB 4.42Å; I388-M396 HydrophobicContact CG1-CE 3.98Å; I388-M396 PolarHBondContact N-O 3.04Å; I388-M396 PolarHBondContact O-N 3.03Å; Y390-M396 HydrophobicContact CD2-CB 4.14Å; Y390-M396 HydrophobicContact CD2-SD 4.39Å; Y390-M396 HydrophobicContact CE2-SD 4.43Å; Y390-M396 HydrophobicContact CG-CB 4.33Å; M396-L398 HydrophobicContact CE-CD2 4.25Å; M396-H401 HydrophobicContact SD-CB 4.25Å; M396-K402 WeakPolarHBondContact CA-O 3.27Å; M396-V403 HydrophobicContact CB-CG2 4.33Å; M396-V403 HydrophobicContact CG-CG2 4.32Å; M396-Y442 HydrophobicContact CE-CD2 3.93Å; M396-Y442 HydrophobicContact CE-CE1 4.49Å; M396-Y442 HydrophobicContact CE-CE2 3.44Å; M396-Y442 VanDerWaalsContact CE-CE2 3.44Å; M396-Y442 HydrophobicContact SD-CE2 4.46Å
397	C	94.6	Very high	88	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.2	164.4	180	0	0	0	0	110	L386 V387 V399 H401 K402 M404 H415	L386-C397 CarbonylContact O-C 3.32Å; L386-C397 WeakPolarHBondContact O-CA 3.13Å; L386-C397 PolarHBondContact O-SG 2.56Å; V387-C397 HydrophobicContact CG1-CB 4.19Å; C397-V399 VanDerWaalsContact C-N 3.3Å; C397-V399 PolarHBondContact O-N 3.11Å; C397-H401 WeakPolarHBondContact O-CA 3.46Å; C397-H401 PolarHBondContact O-N 3.29Å; C397-K402 PolarHBondContact N-O 3.16Å; C397-M404 HydrophobicContact CB-CE 4.5Å; C397-H415 WeakPolarHBondContact CB-NE2 3.49Å
398	L	93.1	Very high	87.7	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.8	-178.7	-68.4	174.1	0	0	0	113.4	L386 I388 M396 F435 L438 I439	L386-L398 PolarHBondContact O-N 2.96Å; I388-L398 HydrophobicContact CD1-CD2 3.87Å; I388-L398 HydrophobicContact CG1-CD2 3.9Å; I388-L398 HydrophobicContact CG2-CD1 4.24Å; I388-L398 HydrophobicContact CG2-CD2 4.23Å; I388-L398 HydrophobicContact CG2-CG 4.38Å; M396-L398 HydrophobicContact CE-CD2 4.25Å; L398-F435 HydrophobicContact CD1-CD2 3.57Å; L398-F435 HydrophobicContact CD1-CE2 3.54Å; L398-F435 HydrophobicContact CD1-CZ 4.49Å; L398-L438 HydrophobicContact CB-CB 4.08Å; L398-L438 HydrophobicContact CB-CD1 3.96Å; L398-L438 HydrophobicContact CD1-CB 4.21Å; L398-I439 HydrophobicContact CD1-CD1 3.74Å; L398-I439 HydrophobicContact CD1-CG1 4.03Å; L398-I439 HydrophobicContact CD2-CD1 4.08Å
399	V	91.9	Very high	87.4	Confident	48 Å²	48	59.5 Å²	59.5	29%	0.291	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-35.4	-172.7	-168.4	0	0	0	0	113	L386 C397 H420 L423 L438	L386-V399 HydrophobicContact CB-CG2 3.89Å; L386-V399 HydrophobicContact CD1-CG2 3.6Å; L386-V399 HydrophobicContact CG-CG2 4.39Å; C397-V399 VanDerWaalsContact C-N 3.3Å; C397-V399 PolarHBondContact O-N 3.11Å; V399-H420 WeakPolarHBondContact CG1-CE1 3.37Å; V399-H420 WeakPolarHBondContact CG1-ND1 3.21Å; V399-L423 HydrophobicContact CG2-CD1 4.05Å; V399-L438 HydrophobicContact CG2-CD1 3.82Å
400	C	92.9	Very high	87.4	Confident	40 Å²	40	60.6 Å²	60.6	27%	0.27	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	15	174.8	69.9	0	0	0	0	114.3	K402 H415 R419 H420	C400-K402 PolarHBondContact O-N 2.97Å; C400-H415 VanDerWaalsContact SG-CE1 3.51Å; C400-R419 PolarHBondContact SG-NH1 2.93Å; C400-H420 WeakPolarHBondContact CB-NE2 3.47Å; C400-H420 PolarHBondContact SG-NE2 3.1Å
401	H	91.1	Very high	87.6	Confident	101 Å²	101	57.7 Å²	57.7	47%	0.468	30%	0.304	S	S	.	.			trans	49.7	17.7	-178.1	-62.3	-77.9	0	0	0	115.5	M396 C397 V403	M396-H401 HydrophobicContact SD-CB 4.25Å; C397-H401 WeakPolarHBondContact O-CA 3.46Å; C397-H401 PolarHBondContact O-N 3.29Å; H401-V403 PolarHBondContact O-N 3.47Å
402	K	91.9	Very high	87.9	Confident	95 Å²	95	54.8 Å²	54.8	41%	0.413	27%	0.274	S	S	.	.			trans	-77.6	118.9	-177.8	177.6	161.8	-179.9	166.7	0	110.8	M396 C397 C400	M396-K402 WeakPolarHBondContact CA-O 3.27Å; C397-K402 PolarHBondContact N-O 3.16Å; C400-K402 PolarHBondContact O-N 2.97Å
403	V	91.4	Very high	88.7	Confident	46 Å²	46	51.7 Å²	51.7	28%	0.279	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.5	165.6	-175.4	0	0	0	0	110.3	Y390 E394 M396 H401	Y390-V403 HydrophobicContact CD1-CB 4.47Å; Y390-V403 HydrophobicContact CD1-CG1 3.83Å; Y390-V403 HydrophobicContact CD1-CG2 3.7Å; Y390-V403 HydrophobicContact CD2-CG2 4.49Å; Y390-V403 HydrophobicContact CE1-CG1 4.45Å; Y390-V403 HydrophobicContact CE1-CG2 3.76Å; Y390-V403 HydrophobicContact CG-CG1 4.43Å; Y390-V403 HydrophobicContact CG-CG2 4.08Å; E394-V403 HydrophobicContact CB-CG1 3.65Å; E394-V403 HydrophobicContact CG-CG1 4.32Å; M396-V403 HydrophobicContact CB-CG2 4.33Å; M396-V403 HydrophobicContact CG-CG2 4.32Å; H401-V403 PolarHBondContact O-N 3.47Å
404	M	90.1	Very high	89.2	Confident	11 Å²	11	50 Å²	50	5%	0.054	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118	174.7	-62.8	177.8	-81.8	0	0	109.1	V387 E394 V395 C397 Q406 T411 I412 H415	V387-M404 HydrophobicContact CG1-CE 3.8Å; E394-M404 CarbonylContact C-O 3.16Å; E394-M404 WeakPolarHBondContact CA-O 2.95Å; E394-M404 WeakPolarHBondContact CB-O 3.46Å; V395-M404 HydrophobicContact CB-CE 4.31Å; V395-M404 HydrophobicContact CG1-CE 4.01Å; V395-M404 PolarHBondContact N-O 2.91Å; V395-M404 WeakPolarHBondContact O-CB 3.5Å; V395-M404 PolarHBondContact O-N 2.74Å; C397-M404 HydrophobicContact CB-CE 4.5Å; M404-Q406 PolarHBondContact O-N 2.76Å; M404-T411 HydrophobicContact CB-CG2 4.45Å; M404-T411 HydrophobicContact SD-CG2 4.37Å; M404-I412 HydrophobicContact CE-CG1 3.98Å; M404-I412 HydrophobicContact SD-CG1 4.45Å; M404-H415 HydrophobicContact SD-CB 3.46Å; M404-H415 WeakPolarHBondContact SD-CB 3.24Å; M404-H415 VanDerWaalsContact SD-CG 3.58Å
405	T	84.7	Confident	89.5	Confident	102 Å²	102	47.8 Å²	47.8	63%	0.626	24%	0.238	S	C	*	.	S	Bend	trans	-69.8	6.8	-175.9	57.4	0	0	0	0	115
406	Q	80.5	Confident	89.6	Confident	97 Å²	97	47.8 Å²	47.8	45%	0.453	24%	0.238	S	C	.	.			trans	-136.2	115.3	-179.8	-61.8	-175.5	6.3	0	0	110.5	M404 K408 T411	M404-Q406 PolarHBondContact O-N 2.76Å; Q406-K408 HydrophobicContact CB-CG 4.39Å; Q406-K408 PolarHBondContact O-N 2.92Å; Q406-T411 HydrophobicContact CB-CG2 4.33Å; Q406-T411 PolarHBondContact OE1-OG1 3Å
407	R	83	Confident	89.6	Confident	54 Å²	54	50.9 Å²	50.9	20%	0.204	26%	0.257	C	S	.	.			trans	-67.1	28.3	174.9	-53.9	-145.2	148.7	160.8	1.3	115.3	R376 F377 Y390 G391 L392 Y393 E394 V395	R376-R407 CarbonylContact C-O 3.32Å; F377-R407 HydrophobicContact CB-CB 4.1Å; F377-R407 PolarHBondContact N-O 3.33Å; Y390-R407 PolarHBondContact O-NH2 2.97Å; G391-R407 PolarHBondContact O-NH2 3.44Å; L392-R407 PolarHBondContact O-NH1 2.87Å; Y393-R407 WeakPolarHBondContact O-CG 3.37Å; Y393-R407 PolarHBondContact O-N 3.38Å; E394-R407 VanDerWaalsContact O-CZ 3.24Å; E394-R407 PolarHBondContact O-NE 3.22Å; E394-R407 PolarHBondContact O-NH2 3.42Å; V395-R407 HydrophobicContact CG2-CB 4.09Å; V395-R407 HydrophobicContact CG2-CG 3.88Å
408	K	83.9	Confident	89.5	Confident	56 Å²	56	59.4 Å²	59.4	24%	0.243	29%	0.29	C	S	.	.			trans	-100.1	136.4	-169.7	-60.3	-169.3	-175.1	-160	0	112	D372 R375 Q406 D410 T411 I412	D372-K408 VanDerWaalsContact OD1-CE 3.27Å; D372-K408 WeakPolarHBondContact OD1-CE 3.2Å; D372-K408 IonicContact OD1-NZ 2.65Å; D372-K408 PolarHBondContact OD1-NZ 3.24Å; D372-K408 IonicContact OD2-NZ 3.66Å; R375-K408 WeakPolarHBondContact O-CA 3.37Å; Q406-K408 HydrophobicContact CB-CG 4.39Å; Q406-K408 PolarHBondContact O-N 2.92Å; K408-D410 VanDerWaalsContact C-N 3.26Å; K408-D410 PolarHBondContact O-N 3.48Å; K408-T411 WeakPolarHBondContact O-CB 3.46Å; K408-T411 PolarHBondContact O-N 2.85Å; K408-I412 PolarHBondContact O-N 2.87Å
409	V	85.6	Confident	89.5	Confident	42 Å²	42	65.6 Å²	65.6	26%	0.255	31%	0.313	S	S	.	.	H	α-helix	trans	-46.5	-47.9	176.4	-176.7	0	0	0	0	112.5	W381 T411 I412 K413	W381-V409 HydrophobicContact CD2-CG2 4.49Å; W381-V409 HydrophobicContact CE3-CG2 4.37Å; W381-V409 HydrophobicContact CH2-CB 4.43Å; W381-V409 HydrophobicContact CH2-CG2 3.14Å; W381-V409 HydrophobicContact CZ2-CG2 3.27Å; W381-V409 HydrophobicContact CZ3-CG2 3.71Å; V409-T411 PolarHBondContact O-N 3.44Å; V409-I412 PolarHBondContact O-N 3.28Å; V409-K413 HydrophobicContact CG1-CD 3.9Å; V409-K413 HydrophobicContact CG1-CG 3.98Å; V409-K413 WeakPolarHBondContact O-CB 3.38Å; V409-K413 WeakPolarHBondContact O-CG 3.39Å; V409-K413 PolarHBondContact O-N 3.49Å
410	D	87.8	Confident	89.5	Confident	79 Å²	79	63.9 Å²	63.9	42%	0.422	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-46.5	-177.9	-172.6	105.5	0	0	0	111.2	K408 I412 R414	K408-D410 VanDerWaalsContact C-N 3.26Å; K408-D410 PolarHBondContact O-N 3.48Å; D410-I412 PolarHBondContact O-N 3.37Å; D410-R414 WeakPolarHBondContact O-CB 3.28Å; D410-R414 PolarHBondContact O-N 2.83Å; D410-R414 IonicContact OD1-NH2 3.35Å; D410-R414 PolarHBondContact OD1-NH2 3.05Å; D410-R414 IonicContact OD2-CZ 3.17Å; D410-R414 IonicContact OD2-NE 2.81Å; D410-R414 PolarHBondContact OD2-NE 3.13Å; D410-R414 IonicContact OD2-NH2 2.72Å; D410-R414 PolarHBondContact OD2-NH2 3.08Å
411	T	88.4	Confident	89.3	Confident	37 Å²	37	66.2 Å²	66.2	23%	0.227	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-43.5	178.2	-46.6	0	0	0	0	111.8	M404 Q406 K408 V409 H415	M404-T411 HydrophobicContact CB-CG2 4.45Å; M404-T411 HydrophobicContact SD-CG2 4.37Å; Q406-T411 HydrophobicContact CB-CG2 4.33Å; Q406-T411 PolarHBondContact OE1-OG1 3Å; K408-T411 WeakPolarHBondContact O-CB 3.46Å; K408-T411 PolarHBondContact O-N 2.85Å; V409-T411 PolarHBondContact O-N 3.44Å; T411-H415 VanDerWaalsContact O-CB 3.28Å; T411-H415 WeakPolarHBondContact O-CB 3.27Å; T411-H415 PolarHBondContact O-N 3.17Å
412	I	90.1	Very high	89.2	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-53.9	178.6	-65.8	165.5	0	0	0	110.5	F377 W381 W385 V387 V395 M404 K408 V409 D410 R414 H415 T416	F377-I412 HydrophobicContact CD2-CD1 4.26Å; W381-I412 HydrophobicContact CE3-CD1 3.71Å; W381-I412 HydrophobicContact CZ3-CD1 4.15Å; W385-I412 HydrophobicContact CB-CG2 3.56Å; W385-I412 HydrophobicContact CD2-CG2 4.49Å; W385-I412 HydrophobicContact CG-CG2 3.79Å; V387-I412 HydrophobicContact CG1-CG2 4.11Å; V387-I412 HydrophobicContact CG2-CG2 4.23Å; V395-I412 HydrophobicContact CG1-CD1 4.18Å; V395-I412 HydrophobicContact CG1-CG1 4.37Å; V395-I412 HydrophobicContact CG2-CD1 4.38Å; M404-I412 HydrophobicContact CE-CG1 3.98Å; M404-I412 HydrophobicContact SD-CG1 4.45Å; K408-I412 PolarHBondContact O-N 2.87Å; V409-I412 PolarHBondContact O-N 3.28Å; D410-I412 PolarHBondContact O-N 3.37Å; I412-R414 VanDerWaalsContact C-N 3.35Å; I412-R414 PolarHBondContact O-N 2.7Å; I412-H415 WeakPolarHBondContact O-CB 3.43Å; I412-H415 PolarHBondContact O-N 3.5Å; I412-H415 VanDerWaalsContact O-N 3.08Å; I412-T416 PolarHBondContact O-N 3.13Å; I412-T416 PolarHBondContact O-OG1 3.07Å
413	K	90.7	Very high	89	Confident	43 Å²	43	61.9 Å²	61.9	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-45.4	177.9	-68.2	-162.9	-179.8	-154.6	0	111.5	W385 V409 H415 T416 V417	W385-K413 HydrophobicContact CD2-CG 4.09Å; W385-K413 HydrophobicContact CE3-CG 4.06Å; W385-K413 HydrophobicContact CH2-CD 3.83Å; W385-K413 HydrophobicContact CH2-CG 3.78Å; W385-K413 HydrophobicContact CZ2-CD 3.76Å; W385-K413 HydrophobicContact CZ2-CG 3.76Å; W385-K413 HydrophobicContact CZ3-CB 4.28Å; W385-K413 HydrophobicContact CZ3-CD 4.42Å; W385-K413 HydrophobicContact CZ3-CG 3.9Å; V409-K413 HydrophobicContact CG1-CD 3.9Å; V409-K413 HydrophobicContact CG1-CG 3.98Å; V409-K413 WeakPolarHBondContact O-CB 3.38Å; V409-K413 WeakPolarHBondContact O-CG 3.39Å; V409-K413 PolarHBondContact O-N 3.49Å; K413-H415 PolarHBondContact O-N 3.48Å; K413-T416 PolarHBondContact O-N 3.03Å; K413-V417 VanDerWaalsContact O-CB 3.28Å; K413-V417 WeakPolarHBondContact O-CB 3.17Å; K413-V417 WeakPolarHBondContact O-CG2 3.28Å; K413-V417 PolarHBondContact O-N 3.19Å
414	R	91.8	Very high	88.8	Confident	122 Å²	122	64.3 Å²	64.3	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-63.3	-27.5	177.3	-176.3	-173	-60.9	-103.4	-7.6	112.8	D410 I412 R418	D410-R414 WeakPolarHBondContact O-CB 3.28Å; D410-R414 PolarHBondContact O-N 2.83Å; D410-R414 IonicContact OD1-NH2 3.35Å; D410-R414 PolarHBondContact OD1-NH2 3.05Å; D410-R414 IonicContact OD2-CZ 3.17Å; D410-R414 IonicContact OD2-NE 2.81Å; D410-R414 PolarHBondContact OD2-NE 3.13Å; D410-R414 IonicContact OD2-NH2 2.72Å; D410-R414 PolarHBondContact OD2-NH2 3.08Å; I412-R414 VanDerWaalsContact C-N 3.35Å; I412-R414 PolarHBondContact O-N 2.7Å; R414-R418 WeakPolarHBondContact O-CB 3.43Å; R414-R418 VanDerWaalsContact O-CD 3.26Å; R414-R418 WeakPolarHBondContact O-CD 3.44Å; R414-R418 WeakPolarHBondContact O-CG 3.25Å
415	H	93.7	Very high	88.6	Confident	18 Å²	18	67.3 Å²	67.3	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-75.6	-53.8	173.7	173.9	69.8	0	0	0	111.1	C397 C400 M404 T411 I412 K413 V417 R418 R419	C397-H415 WeakPolarHBondContact CB-NE2 3.49Å; C400-H415 VanDerWaalsContact SG-CE1 3.51Å; M404-H415 HydrophobicContact SD-CB 3.46Å; M404-H415 WeakPolarHBondContact SD-CB 3.24Å; M404-H415 VanDerWaalsContact SD-CG 3.58Å; T411-H415 VanDerWaalsContact O-CB 3.28Å; T411-H415 WeakPolarHBondContact O-CB 3.27Å; T411-H415 PolarHBondContact O-N 3.17Å; I412-H415 WeakPolarHBondContact O-CB 3.43Å; I412-H415 PolarHBondContact O-N 3.5Å; I412-H415 VanDerWaalsContact O-N 3.08Å; K413-H415 PolarHBondContact O-N 3.48Å; H415-V417 PolarHBondContact O-N 3.42Å; H415-R418 PolarHBondContact O-N 3.08Å; H415-R418 VanDerWaalsContact O-N 3.11Å; H415-R419 PolarHBondContact O-N 3.04Å
416	T	91.7	Very high	88.8	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-55.3	-52.3	176.7	-56.7	0	0	0	0	111	W385 I412 K413 R418 R419 H420 L423	W385-T416 HydrophobicContact CE3-CG2 3.83Å; W385-T416 HydrophobicContact CZ3-CG2 4.24Å; I412-T416 PolarHBondContact O-N 3.13Å; I412-T416 PolarHBondContact O-OG1 3.07Å; K413-T416 PolarHBondContact O-N 3.03Å; T416-R418 PolarHBondContact O-N 3.27Å; T416-R419 PolarHBondContact O-N 3.05Å; T416-H420 HydrophobicContact CG2-CB 4.12Å; T416-H420 CarbonylContact O-C 3.04Å; T416-H420 VanDerWaalsContact O-CA 3.24Å; T416-H420 WeakPolarHBondContact O-CA 3.19Å; T416-H420 PolarHBondContact O-N 3.48Å; T416-L423 HydrophobicContact CG2-CB 4.07Å; T416-L423 HydrophobicContact CG2-CD1 4.09Å
417	V	92	Very high	89.3	Confident	74 Å²	74	62.5 Å²	62.5	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-9.8	-178.8	175.7	0	0	0	0	114	K413 H415 I424	K413-V417 VanDerWaalsContact O-CB 3.28Å; K413-V417 WeakPolarHBondContact O-CB 3.17Å; K413-V417 WeakPolarHBondContact O-CG2 3.28Å; K413-V417 PolarHBondContact O-N 3.19Å; H415-V417 PolarHBondContact O-N 3.42Å; V417-I424 HydrophobicContact CB-CD1 4.32Å; V417-I424 HydrophobicContact CG1-CD1 4.32Å; V417-I424 HydrophobicContact CG2-CD1 3.87Å; V417-I424 HydrophobicContact CG2-CG1 4.5Å
418	R	92.6	Very high	89.5	Confident	179 Å²	179	65.7 Å²	65.7	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-118.6	-9.8	-179	-66.4	179.9	-177.7	-170.8	-6.1	115.5	R414 H415 T416	R414-R418 WeakPolarHBondContact O-CB 3.43Å; R414-R418 VanDerWaalsContact O-CD 3.26Å; R414-R418 WeakPolarHBondContact O-CD 3.44Å; R414-R418 WeakPolarHBondContact O-CG 3.25Å; H415-R418 PolarHBondContact O-N 3.08Å; H415-R418 VanDerWaalsContact O-N 3.11Å; T416-R418 PolarHBondContact O-N 3.27Å
419	R	93.1	Very high	89.7	Confident	131 Å²	131	66 Å²	66	49%	0.494	34%	0.343	S	S	.	.	H	α-helix	trans	-127.7	-21	176.4	-76.6	-162.4	172.9	-166.2	-9.8	113.8	C400 H415 T416	C400-R419 PolarHBondContact SG-NH1 2.93Å; H415-R419 PolarHBondContact O-N 3.04Å; T416-R419 PolarHBondContact O-N 3.05Å
420	H	92.8	Very high	89.9	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.056	35%	0.352	C	S	.	.			trans	-139.2	57.5	-168	-63.7	-54.4	0	0	0	110.3	V399 C400 T416 E422 L423	V399-H420 WeakPolarHBondContact CG1-CE1 3.37Å; V399-H420 WeakPolarHBondContact CG1-ND1 3.21Å; C400-H420 WeakPolarHBondContact CB-NE2 3.47Å; C400-H420 PolarHBondContact SG-NE2 3.1Å; T416-H420 HydrophobicContact CG2-CB 4.12Å; T416-H420 CarbonylContact O-C 3.04Å; T416-H420 VanDerWaalsContact O-CA 3.24Å; T416-H420 WeakPolarHBondContact O-CA 3.19Å; T416-H420 PolarHBondContact O-N 3.48Å; H420-E422 VanDerWaalsContact CA-CD 3.45Å; H420-E422 WeakPolarHBondContact CA-OE1 3.27Å; H420-E422 WeakPolarHBondContact CA-OE2 3.39Å; H420-E422 WeakPolarHBondContact CB-OE1 3.49Å; H420-E422 IonicContact CG-OE1 2.81Å; H420-E422 IonicContact ND1-OE1 2.95Å; H420-E422 PolarHBondContact ND1-OE1 3.29Å; H420-E422 PolarHBondContact O-N 3.33Å; H420-L423 HydrophobicContact CB-CD1 3.66Å; H420-L423 HydrophobicContact CB-CG 3.89Å; H420-L423 PolarHBondContact O-N 2.89Å
421	V	89.4	Confident	90.1	Very high	89 Å²	89	66.1 Å²	66.1	54%	0.539	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.8	-179.6	-177.3	0	0	0	0	110.1	L423 I424	V421-L423 PolarHBondContact O-N 3.02Å; V421-I424 HydrophobicContact CG1-CD1 4.25Å; V421-I424 VanDerWaalsContact O-CB 3.31Å; V421-I424 WeakPolarHBondContact O-CB 3.3Å; V421-I424 WeakPolarHBondContact O-CG1 3.29Å; V421-I424 PolarHBondContact O-N 3.47Å
422	E	88.9	Confident	90.2	Very high	101 Å²	101	68.9 Å²	68.9	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-53.3	-37.2	173.9	66.7	-74.4	174.7	0	0	112.9	H420 I424 G425 M426	H420-E422 VanDerWaalsContact CA-CD 3.45Å; H420-E422 WeakPolarHBondContact CA-OE1 3.27Å; H420-E422 WeakPolarHBondContact CA-OE2 3.39Å; H420-E422 WeakPolarHBondContact CB-OE1 3.49Å; H420-E422 IonicContact CG-OE1 2.81Å; H420-E422 IonicContact ND1-OE1 2.95Å; H420-E422 PolarHBondContact ND1-OE1 3.29Å; H420-E422 PolarHBondContact O-N 3.33Å; E422-I424 PolarHBondContact O-N 3.16Å; E422-G425 PolarHBondContact O-N 3.43Å; E422-G425 VanDerWaalsContact O-N 3.16Å; E422-M426 PolarHBondContact O-N 3.33Å
423	L	87.7	Confident	90.2	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-69.5	-15.2	179.1	-57.7	-177.3	0	0	0	113.6	L386 V399 T416 H420 V421 M426 R431 L434	L386-L423 HydrophobicContact CB-CD1 4.16Å; L386-L423 HydrophobicContact CD1-CD1 3.71Å; L386-L423 HydrophobicContact CD1-CD2 3.49Å; L386-L423 VanDerWaalsContact CD1-CD2 3.49Å; L386-L423 HydrophobicContact CD1-CG 4.26Å; L386-L423 HydrophobicContact CG-CD1 3.96Å; L386-L423 HydrophobicContact CG-CD2 4.4Å; V399-L423 HydrophobicContact CG2-CD1 4.05Å; T416-L423 HydrophobicContact CG2-CB 4.07Å; T416-L423 HydrophobicContact CG2-CD1 4.09Å; H420-L423 HydrophobicContact CB-CD1 3.66Å; H420-L423 HydrophobicContact CB-CG 3.89Å; H420-L423 PolarHBondContact O-N 2.89Å; V421-L423 PolarHBondContact O-N 3.02Å; L423-M426 HydrophobicContact CD2-SD 3.65Å; L423-R431 WeakPolarHBondContact O-CD 3.26Å; L423-L434 HydrophobicContact CD2-CD2 3.92Å
424	I	86.2	Confident	90.2	Very high	96 Å²	96	75.4 Å²	75.4	49%	0.492	38%	0.377	S	S	.	.	H	α-helix	trans	-75.5	-34.4	175.2	-49.3	173.9	0	0	0	110.2	V417 V421 E422	V417-I424 HydrophobicContact CB-CD1 4.32Å; V417-I424 HydrophobicContact CG1-CD1 4.32Å; V417-I424 HydrophobicContact CG2-CD1 3.87Å; V417-I424 HydrophobicContact CG2-CG1 4.5Å; V421-I424 HydrophobicContact CG1-CD1 4.25Å; V421-I424 VanDerWaalsContact O-CB 3.31Å; V421-I424 WeakPolarHBondContact O-CB 3.3Å; V421-I424 WeakPolarHBondContact O-CG1 3.29Å; V421-I424 PolarHBondContact O-N 3.47Å; E422-I424 PolarHBondContact O-N 3.16Å
425	G	87	Confident	90.2	Very high	74 Å²	74	70.3 Å²	70.3	76%	0.763	36%	0.359	S	S	*	.	H	α-helix	trans	-82	-21.6	179.8	0	0	0	0	0	114.4	E422	E422-G425 PolarHBondContact O-N 3.43Å; E422-G425 VanDerWaalsContact O-N 3.16Å
426	M	88.8	Confident	90.1	Very high	48 Å²	48	72.7 Å²	72.7	24%	0.236	37%	0.372	C	S	.	.	S	Bend	trans	-72.3	136.5	-179.3	-69.3	177.5	72.3	0	0	112.8	E422 L423 E430 R431 L434	E422-M426 PolarHBondContact O-N 3.33Å; L423-M426 HydrophobicContact CD2-SD 3.65Å; M426-E430 HydrophobicContact CB-CB 4.38Å; M426-E430 HydrophobicContact CE-CB 3.71Å; M426-R431 HydrophobicContact CB-CG 3.79Å; M426-R431 PolarHBondContact O-NE 2.65Å; M426-R431 PolarHBondContact O-NH2 3.23Å; M426-R431 HydrophobicContact SD-CG 4.5Å; M426-L434 HydrophobicContact CE-CB 4.2Å; M426-L434 HydrophobicContact CE-CD2 3.79Å; M426-L434 HydrophobicContact SD-CD2 4.03Å
427	S	89.8	Confident	90.1	Very high	50 Å²	50	77.5 Å²	77.5	35%	0.35	40%	0.395	S	S	.	.			trans	-61.1	161.5	171.7	70.1	0	0	0	0	111.7	S429 E430 R431	S427-S429 VanDerWaalsContact C-N 3.3Å; S427-S429 PolarHBondContact O-N 3.25Å; S427-E430 WeakPolarHBondContact CB-OE2 3.46Å; S427-E430 PolarHBondContact N-OE2 3.04Å; S427-E430 PolarHBondContact O-N 3.07Å; S427-E430 VanDerWaalsContact OG-CD 3.22Å; S427-E430 VanDerWaalsContact OG-CG 3.24Å; S427-E430 WeakPolarHBondContact OG-CG 3.28Å; S427-E430 PolarHBondContact OG-N 2.65Å; S427-E430 PolarHBondContact OG-OE2 3.47Å; S427-R431 PolarHBondContact O-N 3.37Å
428	E	87.3	Confident	90.1	Very high	122 Å²	122	75.2 Å²	75.2	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-37.2	-178.7	-172.5	160.9	-144.8	0	0	112.3	R431 E432	E428-R431 PolarHBondContact O-N 3.23Å; E428-E432 WeakPolarHBondContact O-CB 3.41Å; E428-E432 PolarHBondContact O-N 2.82Å
429	S	88.5	Confident	90	Very high	63 Å²	63	68.6 Å²	68.6	44%	0.441	36%	0.357	S	S	.	.	H	α-helix	trans	-75.3	-29.3	178.3	66.4	0	0	0	0	113.5	S427 K433	S427-S429 VanDerWaalsContact C-N 3.3Å; S427-S429 PolarHBondContact O-N 3.25Å; S429-K433 WeakPolarHBondContact O-CB 3.05Å; S429-K433 VanDerWaalsContact O-CG 3.23Å; S429-K433 WeakPolarHBondContact O-CG 3.45Å; S429-K433 PolarHBondContact O-N 2.9Å
430	E	90.5	Very high	89.8	Confident	94 Å²	94	69.5 Å²	69.5	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-69.4	-41.3	169.8	-70.8	164.8	131.3	0	0	111.2	M426 S427 K433 L434	M426-E430 HydrophobicContact CB-CB 4.38Å; M426-E430 HydrophobicContact CE-CB 3.71Å; S427-E430 WeakPolarHBondContact CB-OE2 3.46Å; S427-E430 PolarHBondContact N-OE2 3.04Å; S427-E430 PolarHBondContact O-N 3.07Å; S427-E430 VanDerWaalsContact OG-CD 3.22Å; S427-E430 VanDerWaalsContact OG-CG 3.24Å; S427-E430 WeakPolarHBondContact OG-CG 3.28Å; S427-E430 PolarHBondContact OG-N 2.65Å; S427-E430 PolarHBondContact OG-OE2 3.47Å; E430-K433 PolarHBondContact O-N 2.99Å; E430-L434 WeakPolarHBondContact O-CB 3.15Å; E430-L434 PolarHBondContact O-N 2.81Å
431	R	91.7	Very high	89.5	Confident	28 Å²	28	74.1 Å²	74.1	11%	0.106	39%	0.386	C	S	.	.	H	α-helix	trans	-64.2	-38.3	172.4	-78.8	-178.3	-81.8	142.5	5.7	112.1	L384 L386 L423 M426 S427 E428 L434 F435	L384-R431 PolarHBondContact O-NH1 2.82Å; L386-R431 WeakPolarHBondContact CD2-O 3.45Å; L423-R431 WeakPolarHBondContact O-CD 3.26Å; M426-R431 HydrophobicContact CB-CG 3.79Å; M426-R431 PolarHBondContact O-NE 2.65Å; M426-R431 PolarHBondContact O-NH2 3.23Å; M426-R431 HydrophobicContact SD-CG 4.5Å; S427-R431 PolarHBondContact O-N 3.37Å; E428-R431 PolarHBondContact O-N 3.23Å; R431-L434 PolarHBondContact O-N 2.72Å; R431-F435 VanDerWaalsContact O-CB 3.28Å; R431-F435 WeakPolarHBondContact O-CB 3.38Å; R431-F435 PolarHBondContact O-N 3.35Å
432	E	89.8	Confident	89.4	Confident	96 Å²	96	73.6 Å²	73.6	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-43	174.4	-159.9	-157.6	148.6	0	0	112.1	E428 F435 N436	E428-E432 WeakPolarHBondContact O-CB 3.41Å; E428-E432 PolarHBondContact O-N 2.82Å; E432-F435 WeakPolarHBondContact O-CB 3.26Å; E432-F435 PolarHBondContact O-N 2.81Å; E432-N436 WeakPolarHBondContact O-CB 3.49Å; E432-N436 PolarHBondContact O-N 3.06Å; E432-N436 PolarHBondContact O-ND2 3.05Å; E432-N436 VanDerWaalsContact O-ND2 3.09Å
433	K	90	Very high	89.3	Confident	137 Å²	137	72.2 Å²	72.2	60%	0.596	37%	0.374	S	S	*	.	H	α-helix	trans	-59.9	-47.9	173.5	-74.1	166.7	-176.5	175.4	0	111.6	S429 E430 N436 Q437	S429-K433 WeakPolarHBondContact O-CB 3.05Å; S429-K433 VanDerWaalsContact O-CG 3.23Å; S429-K433 WeakPolarHBondContact O-CG 3.45Å; S429-K433 PolarHBondContact O-N 2.9Å; E430-K433 PolarHBondContact O-N 2.99Å; K433-N436 PolarHBondContact O-N 3.29Å; K433-Q437 WeakPolarHBondContact O-CG 3.3Å; K433-Q437 PolarHBondContact O-N 3.44Å
434	L	91.8	Very high	88.8	Confident	43 Å²	43	77.8 Å²	77.8	23%	0.225	40%	0.401	C	S	.	.	H	α-helix	trans	-64.6	-39	178.1	-178.5	56.6	0	0	0	111.7	L386 L423 M426 E430 R431 Q437 L438	L386-L434 HydrophobicContact CD1-CB 4.44Å; L386-L434 HydrophobicContact CD1-CD2 3.62Å; L386-L434 HydrophobicContact CD1-CG 3.83Å; L423-L434 HydrophobicContact CD2-CD2 3.92Å; M426-L434 HydrophobicContact CE-CB 4.2Å; M426-L434 HydrophobicContact CE-CD2 3.79Å; M426-L434 HydrophobicContact SD-CD2 4.03Å; E430-L434 WeakPolarHBondContact O-CB 3.15Å; E430-L434 PolarHBondContact O-N 2.81Å; R431-L434 PolarHBondContact O-N 2.72Å; L434-Q437 PolarHBondContact O-N 3.19Å; L434-L438 HydrophobicContact CD1-CD1 3.98Å; L434-L438 HydrophobicContact CD1-CG 4.03Å; L434-L438 HydrophobicContact CG-CD1 3.86Å; L434-L438 HydrophobicContact CG-CG 4.39Å; L434-L438 WeakPolarHBondContact O-CB 3.38Å; L434-L438 VanDerWaalsContact O-CG 3.27Å; L434-L438 WeakPolarHBondContact O-CG 3.46Å; L434-L438 PolarHBondContact O-N 3.38Å
435	F	92	Very high	88.3	Confident	15 Å²	15	78 Å²	78	7%	0.066	40%	0.403	C	S	.	.	H	α-helix	trans	-56.9	-50.3	170.8	-178.9	-95.3	0	0	0	111.1	K382 H383 L386 I388 L398 R431 E432 Q437 L438 I439	K382-F435 HydrophobicContact CB-CD2 4.42Å; K382-F435 HydrophobicContact CB-CE2 3.66Å; K382-F435 HydrophobicContact CB-CZ 3.75Å; K382-F435 HydrophobicContact CD-CZ 4.07Å; K382-F435 HydrophobicContact CG-CE2 4.33Å; K382-F435 HydrophobicContact CG-CZ 4.23Å; K382-F435 VanDerWaalsContact O-CD2 3.26Å; K382-F435 WeakPolarHBondContact O-CD2 3.5Å; H383-F435 AromaticContact CE1-CD1 3.49Å; H383-F435 VanDerWaalsContact CE1-CD1 3.49Å; H383-F435 WeakPolarHBondContact CE1-CD1 3.27Å; H383-F435 AromaticContact CE1-CE1 3.55Å; H383-F435 AromaticContact ND1-CD1 3.35Å; H383-F435 VanDerWaalsContact ND1-CD1 3.35Å; H383-F435 WeakPolarHBondContact ND1-CD1 3.47Å; H383-F435 AromaticContact ND1-CE1 3.84Å; H383-F435 AromaticContact ND1-CG 3.66Å; L386-F435 HydrophobicContact CD2-CB 3.61Å; L386-F435 HydrophobicContact CD2-CD2 4.07Å; L386-F435 HydrophobicContact CD2-CG 4.35Å; I388-F435 HydrophobicContact CG2-CE2 4.14Å; I388-F435 HydrophobicContact CG2-CZ 4.29Å; L398-F435 HydrophobicContact CD1-CD2 3.57Å; L398-F435 HydrophobicContact CD1-CE2 3.54Å; L398-F435 HydrophobicContact CD1-CZ 4.49Å; R431-F435 VanDerWaalsContact O-CB 3.28Å; R431-F435 WeakPolarHBondContact O-CB 3.38Å; R431-F435 PolarHBondContact O-N 3.35Å; E432-F435 WeakPolarHBondContact O-CB 3.26Å; E432-F435 PolarHBondContact O-N 2.81Å; F435-Q437 VanDerWaalsContact C-N 3.3Å; F435-Q437 PolarHBondContact O-N 2.83Å; F435-L438 PolarHBondContact O-N 3.46Å; F435-I439 HydrophobicContact CD1-CG1 3.91Å; F435-I439 HydrophobicContact CD2-CG1 4.31Å; F435-I439 HydrophobicContact CE1-CD1 4.26Å; F435-I439 HydrophobicContact CE1-CG1 3.5Å; F435-I439 VanDerWaalsContact CE1-CG1 3.5Å; F435-I439 HydrophobicContact CE2-CD1 4.07Å; F435-I439 HydrophobicContact CE2-CG1 3.92Å; F435-I439 HydrophobicContact CG-CG1 4.3Å; F435-I439 HydrophobicContact CZ-CD1 3.74Å; F435-I439 HydrophobicContact CZ-CG1 3.48Å; F435-I439 VanDerWaalsContact CZ-CG1 3.48Å; F435-I439 WeakPolarHBondContact O-CB 3.33Å; F435-I439 VanDerWaalsContact O-CG1 3.29Å; F435-I439 WeakPolarHBondContact O-CG1 3.31Å; F435-I439 PolarHBondContact O-N 3.08Å
436	N	90.9	Very high	87.4	Confident	68 Å²	68	75.5 Å²	75.5	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-30.3	-179.1	-72.9	-39	0	0	0	112.8	E432 K433 K440	E432-N436 WeakPolarHBondContact O-CB 3.49Å; E432-N436 PolarHBondContact O-N 3.06Å; E432-N436 PolarHBondContact O-ND2 3.05Å; E432-N436 VanDerWaalsContact O-ND2 3.09Å; K433-N436 PolarHBondContact O-N 3.29Å; N436-K440 VanDerWaalsContact O-CG 3.27Å; N436-K440 WeakPolarHBondContact O-CG 3.49Å; N436-K440 PolarHBondContact O-N 3.34Å
437	Q	91.4	Very high	86	Confident	103 Å²	103	76.5 Å²	76.5	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-50.5	171.3	-73	170.1	-29.9	0	0	112	K433 L434 F435 I439 K440 Q441	K433-Q437 WeakPolarHBondContact O-CG 3.3Å; K433-Q437 PolarHBondContact O-N 3.44Å; L434-Q437 PolarHBondContact O-N 3.19Å; F435-Q437 VanDerWaalsContact C-N 3.3Å; F435-Q437 PolarHBondContact O-N 2.83Å; Q437-I439 VanDerWaalsContact C-N 3.34Å; Q437-I439 PolarHBondContact O-N 2.98Å; Q437-K440 PolarHBondContact O-N 2.96Å; Q437-Q441 WeakPolarHBondContact O-CG 3.26Å; Q437-Q441 PolarHBondContact O-N 2.86Å
438	L	91.5	Very high	84.4	Confident	26 Å²	26	76.5 Å²	76.5	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-36.5	179.4	-70.1	167.8	0	0	0	112.4	L386 L398 V399 L434 F435 Q441 Y442	L386-L438 HydrophobicContact CD1-CD1 4.02Å; L398-L438 HydrophobicContact CB-CB 4.08Å; L398-L438 HydrophobicContact CB-CD1 3.96Å; L398-L438 HydrophobicContact CD1-CB 4.21Å; V399-L438 HydrophobicContact CG2-CD1 3.82Å; L434-L438 HydrophobicContact CD1-CD1 3.98Å; L434-L438 HydrophobicContact CD1-CG 4.03Å; L434-L438 HydrophobicContact CG-CD1 3.86Å; L434-L438 HydrophobicContact CG-CG 4.39Å; L434-L438 WeakPolarHBondContact O-CB 3.38Å; L434-L438 VanDerWaalsContact O-CG 3.27Å; L434-L438 WeakPolarHBondContact O-CG 3.46Å; L434-L438 PolarHBondContact O-N 3.38Å; F435-L438 PolarHBondContact O-N 3.46Å; L438-Q441 PolarHBondContact O-N 3.39Å; L438-Y442 VanDerWaalsContact O-CB 3.27Å; L438-Y442 WeakPolarHBondContact O-CB 3.47Å; L438-Y442 PolarHBondContact O-N 3.32Å
439	I	90.1	Very high	82.9	Confident	40 Å²	40	75.5 Å²	75.5	21%	0.205	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-47.8	172.2	-73.8	-60.7	0	0	0	110.6	I388 L398 F435 Q437 Q441 Y442 T443	I388-I439 HydrophobicContact CG2-CD1 3.75Å; L398-I439 HydrophobicContact CD1-CD1 3.74Å; L398-I439 HydrophobicContact CD1-CG1 4.03Å; L398-I439 HydrophobicContact CD2-CD1 4.08Å; F435-I439 HydrophobicContact CD1-CG1 3.91Å; F435-I439 HydrophobicContact CD2-CG1 4.31Å; F435-I439 HydrophobicContact CE1-CD1 4.26Å; F435-I439 HydrophobicContact CE1-CG1 3.5Å; F435-I439 VanDerWaalsContact CE1-CG1 3.5Å; F435-I439 HydrophobicContact CE2-CD1 4.07Å; F435-I439 HydrophobicContact CE2-CG1 3.92Å; F435-I439 HydrophobicContact CG-CG1 4.3Å; F435-I439 HydrophobicContact CZ-CD1 3.74Å; F435-I439 HydrophobicContact CZ-CG1 3.48Å; F435-I439 VanDerWaalsContact CZ-CG1 3.48Å; F435-I439 WeakPolarHBondContact O-CB 3.33Å; F435-I439 VanDerWaalsContact O-CG1 3.29Å; F435-I439 WeakPolarHBondContact O-CG1 3.31Å; F435-I439 PolarHBondContact O-N 3.08Å; Q437-I439 VanDerWaalsContact C-N 3.34Å; Q437-I439 PolarHBondContact O-N 2.98Å; I439-Q441 VanDerWaalsContact C-N 3.31Å; I439-Q441 PolarHBondContact O-N 2.86Å; I439-Y442 PolarHBondContact O-N 3.37Å; I439-T443 HydrophobicContact CG2-CG2 4.28Å; I439-T443 WeakPolarHBondContact O-CG2 3.32Å; I439-T443 PolarHBondContact O-N 2.92Å; I439-T443 PolarHBondContact O-OG1 3.05Å
440	K	89.5	Confident	81.1	Confident	150 Å²	150	80.9 Å²	80.9	65%	0.652	40%	0.399	S	S	*	.	H	α-helix	trans	-57.3	-45.3	176.6	-78	174.6	178.9	-173.6	0	111.6	N436 Q437 T443 M444	N436-K440 VanDerWaalsContact O-CG 3.27Å; N436-K440 WeakPolarHBondContact O-CG 3.49Å; N436-K440 PolarHBondContact O-N 3.34Å; Q437-K440 PolarHBondContact O-N 2.96Å; K440-T443 WeakPolarHBondContact CA-OG1 3.29Å; K440-T443 PolarHBondContact O-N 3.11Å; K440-T443 PolarHBondContact O-OG1 3.45Å; K440-M444 WeakPolarHBondContact O-CB 3.45Å; K440-M444 VanDerWaalsContact O-CG 3.3Å; K440-M444 WeakPolarHBondContact O-CG 3.37Å; K440-M444 PolarHBondContact O-N 2.76Å
441	Q	87.7	Confident	78.9	Confident	108 Å²	108	82.5 Å²	82.5	51%	0.505	41%	0.411	S	S	.	.	H	α-helix	trans	-61	-47.2	175.1	-71.9	173.2	-28.3	0	0	111.9	Q437 L438 I439 T443 M444 L445	Q437-Q441 WeakPolarHBondContact O-CG 3.26Å; Q437-Q441 PolarHBondContact O-N 2.86Å; L438-Q441 PolarHBondContact O-N 3.39Å; I439-Q441 VanDerWaalsContact C-N 3.31Å; I439-Q441 PolarHBondContact O-N 2.86Å; Q441-T443 PolarHBondContact O-N 3.27Å; Q441-M444 PolarHBondContact O-N 2.99Å; Q441-L445 WeakPolarHBondContact O-CB 3.33Å; Q441-L445 WeakPolarHBondContact O-CG 3.47Å; Q441-L445 PolarHBondContact O-N 3.47Å
442	Y	86.9	Confident	76.8	Confident	78 Å²	78	85.1 Å²	85.1	31%	0.306	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-39	178.3	-178.8	-104.5	0	0	0	112.9	I388 M396 L438 I439 L445 G446	I388-Y442 HydrophobicContact CD1-CD1 3.92Å; I388-Y442 HydrophobicContact CD1-CE1 3.56Å; M396-Y442 HydrophobicContact CE-CD2 3.93Å; M396-Y442 HydrophobicContact CE-CE1 4.49Å; M396-Y442 HydrophobicContact CE-CE2 3.44Å; M396-Y442 VanDerWaalsContact CE-CE2 3.44Å; M396-Y442 HydrophobicContact SD-CE2 4.46Å; L438-Y442 VanDerWaalsContact O-CB 3.27Å; L438-Y442 WeakPolarHBondContact O-CB 3.47Å; L438-Y442 PolarHBondContact O-N 3.32Å; I439-Y442 PolarHBondContact O-N 3.37Å; Y442-L445 PolarHBondContact O-N 2.89Å; Y442-G446 PolarHBondContact O-N 2.81Å
443	T	85.7	Confident	74.4	Confident	72 Å²	72	84.4 Å²	84.4	44%	0.442	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-35.9	174.5	51.6	0	0	0	0	112.1	I439 K440 Q441 G446 V447	I439-T443 HydrophobicContact CG2-CG2 4.28Å; I439-T443 WeakPolarHBondContact O-CG2 3.32Å; I439-T443 PolarHBondContact O-N 2.92Å; I439-T443 PolarHBondContact O-OG1 3.05Å; K440-T443 WeakPolarHBondContact CA-OG1 3.29Å; K440-T443 PolarHBondContact O-N 3.11Å; K440-T443 PolarHBondContact O-OG1 3.45Å; Q441-T443 PolarHBondContact O-N 3.27Å; T443-G446 WeakPolarHBondContact O-CA 3.41Å; T443-G446 PolarHBondContact O-N 3.45Å; T443-V447 WeakPolarHBondContact O-CG2 3.45Å; T443-V447 PolarHBondContact O-N 2.97Å
444	M	77.9	Confident	71.9	Confident	122 Å²	122	83.7 Å²	83.7	60%	0.601	45%	0.447	S	S	*	.	H	α-helix	trans	-68.7	-38.4	174.1	-73.1	-50.1	-53.4	0	0	112	K440 Q441 G446 V447 A448	K440-M444 WeakPolarHBondContact O-CB 3.45Å; K440-M444 VanDerWaalsContact O-CG 3.3Å; K440-M444 WeakPolarHBondContact O-CG 3.37Å; K440-M444 PolarHBondContact O-N 2.76Å; Q441-M444 PolarHBondContact O-N 2.99Å; M444-G446 VanDerWaalsContact C-N 3.29Å; M444-G446 PolarHBondContact O-N 3Å; M444-V447 PolarHBondContact O-N 2.79Å; M444-A448 WeakPolarHBondContact O-CB 3.35Å; M444-A448 PolarHBondContact O-N 3.45Å
445	L	75.3	Confident	69	Low	100 Å²	100	87.2 Å²	87.2	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-61.7	-37.6	169.5	-77.8	160.5	0	0	0	111.6	Q441 Y442 N449	Q441-L445 WeakPolarHBondContact O-CB 3.33Å; Q441-L445 WeakPolarHBondContact O-CG 3.47Å; Q441-L445 PolarHBondContact O-N 3.47Å; Y442-L445 PolarHBondContact O-N 2.89Å; L445-N449 WeakPolarHBondContact O-CB 3.43Å; L445-N449 VanDerWaalsContact O-CG 3.24Å; L445-N449 PolarHBondContact O-N 2.83Å; L445-N449 PolarHBondContact O-ND2 2.98Å
446	G	68.1	Low	66.2	Low	23 Å²	23	92.5 Å²	92.5	24%	0.237	49%	0.494	C	S	.	.	H	α-helix	trans	-60.3	-59.5	170.8	0	0	0	0	0	112.2	Y442 T443 M444 A448 N449 Y450	Y442-G446 PolarHBondContact O-N 2.81Å; T443-G446 WeakPolarHBondContact O-CA 3.41Å; T443-G446 PolarHBondContact O-N 3.45Å; M444-G446 VanDerWaalsContact C-N 3.29Å; M444-G446 PolarHBondContact O-N 3Å; G446-A448 VanDerWaalsContact C-N 3.32Å; G446-A448 PolarHBondContact O-N 3.49Å; G446-N449 PolarHBondContact O-N 2.85Å; G446-Y450 WeakPolarHBondContact O-CD2 3.42Å; G446-Y450 WeakPolarHBondContact O-CE2 3.35Å; G446-Y450 PolarHBondContact O-N 3.2Å; G446-Y450 VanDerWaalsContact O-N 3.14Å
447	V	59.6	Low	63.1	Low	68 Å²	68	94.8 Å²	94.8	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-38.8	-177.9	173.9	0	0	0	0	111.9	T443 M444 N449 Y450 N451	T443-V447 WeakPolarHBondContact O-CG2 3.45Å; T443-V447 PolarHBondContact O-N 2.97Å; M444-V447 PolarHBondContact O-N 2.79Å; V447-N449 VanDerWaalsContact C-N 3.33Å; V447-N449 PolarHBondContact O-N 3.47Å; V447-Y450 PolarHBondContact O-N 2.9Å; V447-Y450 VanDerWaalsContact O-N 3.16Å; V447-N451 WeakPolarHBondContact O-CB 3.38Å; V447-N451 PolarHBondContact O-N 2.97Å
448	A	57.1	Low	60.1	Low	50 Å²	50	92.8 Å²	92.8	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-57.3	-46.8	172.8	0	0	0	0	0	111.2	M444 G446 Y450 N451 S452	M444-A448 WeakPolarHBondContact O-CB 3.35Å; M444-A448 PolarHBondContact O-N 3.45Å; G446-A448 VanDerWaalsContact C-N 3.32Å; G446-A448 PolarHBondContact O-N 3.49Å; A448-Y450 VanDerWaalsContact C-N 3.26Å; A448-Y450 PolarHBondContact O-N 3.22Å; A448-N451 PolarHBondContact O-N 3.18Å; A448-S452 WeakPolarHBondContact O-CB 3.26Å; A448-S452 PolarHBondContact O-N 3.38Å; A448-S452 PolarHBondContact O-OG 2.89Å
449	N	54.4	Low	57.4	Low	102 Å²	102	97.4 Å²	97.4	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-71.2	-11.2	178.5	-70.8	-32.9	0	0	0	114.8	L445 G446 V447 S453	L445-N449 WeakPolarHBondContact O-CB 3.43Å; L445-N449 VanDerWaalsContact O-CG 3.24Å; L445-N449 PolarHBondContact O-N 2.83Å; L445-N449 PolarHBondContact O-ND2 2.98Å; G446-N449 PolarHBondContact O-N 2.85Å; V447-N449 VanDerWaalsContact C-N 3.33Å; V447-N449 PolarHBondContact O-N 3.47Å; N449-S453 WeakPolarHBondContact O-CB 3.36Å
450	Y	50.7	Low	54.6	Low	175 Å²	175	104 Å²	104	69%	0.686	56%	0.563	S	S	*	*	H	α-helix	trans	-95.5	-37.8	170.5	-61.7	-57.9	0	0	0	111.7	G446 V447 A448	G446-Y450 WeakPolarHBondContact O-CD2 3.42Å; G446-Y450 WeakPolarHBondContact O-CE2 3.35Å; G446-Y450 PolarHBondContact O-N 3.2Å; G446-Y450 VanDerWaalsContact O-N 3.14Å; V447-Y450 PolarHBondContact O-N 2.9Å; V447-Y450 VanDerWaalsContact O-N 3.16Å; A448-Y450 VanDerWaalsContact C-N 3.26Å; A448-Y450 PolarHBondContact O-N 3.22Å
451	N	45.7	Very low	51.7	Low	128 Å²	128	105 Å²	105	68%	0.684	57%	0.57	S	S	*	*	H	α-helix	trans	-84.2	-7.5	-178.9	-65.4	10.9	0	0	0	113.8	V447 A448	V447-N451 WeakPolarHBondContact O-CB 3.38Å; V447-N451 PolarHBondContact O-N 2.97Å; A448-N451 PolarHBondContact O-N 3.18Å
452	S	46.6	Very low	48.9	Very low	84 Å²	84	110.9 Å²	110.9	59%	0.587	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	6.4	169.9	71.1	0	0	0	0	114	A448	A448-S452 WeakPolarHBondContact O-CB 3.26Å; A448-S452 PolarHBondContact O-N 3.38Å; A448-S452 PolarHBondContact O-OG 2.89Å
453	S	39.5	Very low	46.2	Very low	80 Å²	80	116.8 Å²	116.8	56%	0.559	62%	0.615	S	S	*	*			trans	-119.4	14.1	-174	-172.6	0	0	0	0	113.9	N449 D455	N449-S453 WeakPolarHBondContact O-CB 3.36Å; S453-D455 CarbonylContact C-O 3.19Å
454	T	36.6	Very low	43.5	Very low	122 Å²	122	118 Å²	118	75%	0.748	63%	0.625	S	S	*	*	S	Bend	trans	-73.7	-16.6	165.8	44.3	0	0	0	0	112.6
455	D	31	Very low	41.2	Very low	118 Å²	118	118.9 Å²	118.9	63%	0.631	63%	0.633	S	S	*	*	S	Bend	trans	-117.8	167.8	167.8	-66.5	-74	0	0	0	110	S453	S453-D455 CarbonylContact C-O 3.19Å
456	I	33.4	Very low	38.9	Very low	126 Å²	126	120.3 Å²	120.3	65%	0.646	65%	0.65	S	S	*	*			trans	71.9	68	173.9	-43.4	-178.7	0	0	0	115.8	N458	I456-N458 WeakPolarHBondContact CG2-O 3.38Å
457	P	26.3	Very low	37.1	Very low	115 Å²	115	126.4 Å²	126.4	75%	0.747	68%	0.676	S	S	*	*	S	Bend	trans	-78.4	123	143.2	31.8	-28.4	0	0	0	110.1
458	N	28.3	Very low	35.7	Very low	62 Å²	62	131 Å²	131	33%	0.332	69%	0.692	S	S	.	*	S	Bend	trans	76.1	163.2	-171.7	-46.9	-92	0	0	0	114.6	I456 S1017	I456-N458 WeakPolarHBondContact CG2-O 3.38Å; N458-S1017 PolarHBondContact OD1-OG 3.15Å
459	I	34.2	Very low	34.5	Very low	123 Å²	123	138 Å²	138	63%	0.631	72%	0.717	S	S	*	*			trans	78.7	53.2	-175.2	-39.4	167.1	0	0	0	114.7
460	L	32.2	Very low	33.4	Very low	179 Å²	179	138.8 Å²	138.8	94%	0.937	73%	0.73	S	S	*	*	S	Bend	trans	-125.5	25.3	140.4	-117.6	173.3	0	0	0	113.1
461	H	28.2	Very low	32.8	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.787	73%	0.729	S	S	*	*	S	Bend	trans	-107.6	139.2	145.3	-85.6	-86.8	0	0	0	107.2
462	R	28.5	Very low	32.3	Very low	231 Å²	231	135.3 Å²	135.3	87%	0.872	73%	0.73	S	S	*	*			trans	64.1	113.1	-172.4	-64	-178	169.2	-171.3	-4.7	115.9
463	K	30.2	Very low	31.7	Very low	203 Å²	203	137.2 Å²	137.2	88%	0.883	74%	0.738	S	S	*	*			trans	-134.7	115.4	137.4	-96.9	-170.5	174.2	-178	0	107.7
464	S	30.3	Very low	31.7	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	74%	0.744	S	S	*	*			trans	-147.2	116.4	175.5	-58.9	0	0	0	0	107.2
465	D	29.6	Very low	31.7	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	75%	0.747	S	S	*	*			trans	55.3	104.5	144.9	-38.1	-38.9	0	0	0	119.6
466	C	26.9	Very low	31.8	Very low	129 Å²	129	141 Å²	141	87%	0.872	75%	0.746	S	S	*	*			trans	-153.8	116.6	161	-95.6	0	0	0	0	111.7
467	L	29.6	Very low	32	Very low	152 Å²	152	141.3 Å²	141.3	80%	0.796	75%	0.749	S	S	*	*			trans	-158.5	150.2	169.4	-74	179.2	0	0	0	106.4
468	H	30.9	Very low	32.3	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.755	75%	0.749	S	S	*	*			cis	-144.3	169.6	3.4	-70.8	-89	0	0	0	109.7
469	Q	32.1	Very low	32.2	Very low	199 Å²	199	146.8 Å²	146.8	93%	0.93	77%	0.765	S	S	*	*			trans	-177.3	164	130.6	-101.7	167.6	17.8	0	0	112.6
470	S	30.1	Very low	32	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	77%	0.768	S	S	*	*			trans	-163	147.9	-175.3	53.1	0	0	0	0	114.2
471	D	39.6	Very low	31.8	Very low	123 Å²	123	144.5 Å²	144.5	66%	0.658	76%	0.763	S	S	*	*			trans	-75.1	173.3	178.6	-59.6	-57.1	0	0	0	115.1
472	P	35	Very low	31.7	Very low	107 Å²	107	142.6 Å²	142.6	70%	0.695	76%	0.763	S	S	*	*				-158.3	165.4	108.5	41	-22.6	0	0	0	119.9
473	T	33.9	Very low	31.6	Very low	124 Å²	124	141 Å²	141	76%	0.761	76%	0.762	S	S	*	*			trans	54.8	139.3	146.3	48.7	0	0	0	0	122.3
474	K	39.4	Very low	31.6	Very low	157 Å²	157	136.6 Å²	136.6	68%	0.683	76%	0.757	S	S	*	*			cis	97.4	121	35.9	-94.6	-161.4	176.4	-170.4	0	114.8
475	N	36.1	Very low	31.4	Very low	152 Å²	152	138.1 Å²	138.1	81%	0.813	77%	0.767	S	S	*	*			trans	-157.3	-174.4	131	-146.2	11.3	0	0	0	112
476	C	33.6	Very low	31.3	Very low	90 Å²	90	136.1 Å²	136.1	61%	0.608	76%	0.764	S	S	*	*			trans	-125.2	-158.5	-152.7	-61.1	0	0	0	0	115.8
477	D	36.2	Very low	31.5	Very low	133 Å²	133	137.7 Å²	137.7	71%	0.711	76%	0.759	S	S	*	*			trans	85.9	142.4	157.2	-46.1	-32.4	0	0	0	117.2
478	E	32.7	Very low	31.5	Very low	159 Å²	159	136.2 Å²	136.2	74%	0.743	75%	0.751	S	S	*	*			cis	-160	155.8	-4.1	-122.7	-173	160	0	0	113.2
479	I	28.2	Very low	31.4	Very low	133 Å²	133	135.4 Å²	135.4	68%	0.682	75%	0.751	S	S	*	*			trans	63	130.4	145	-69.5	164.2	0	0	0	124.1
480	S	29.6	Very low	31.2	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	74%	0.736	S	S	*	*			trans	106.8	130	145.1	74.6	0	0	0	0	123.3
481	N	26.4	Very low	31.1	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	73%	0.731	S	S	*	*			trans	75.8	135.8	153.9	-69.5	-29.9	0	0	0	122.7
482	V	27	Very low	30.7	Very low	130 Å²	130	132 Å²	132	79%	0.788	73%	0.734	S	S	*	*	S	Bend	trans	77.7	94.9	166.5	-167.9	0	0	0	0	118.9
483	K	27.5	Very low	30.3	Very low	199 Å²	199	136 Å²	136	87%	0.865	74%	0.741	S	S	*	*			trans	66.8	67.6	132.2	-154	175.3	-170.6	174.5	0	117.8
484	S	29.4	Very low	30.1	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	73%	0.733	S	S	*	*			trans	-159.8	168.1	164.6	-81.9	0	0	0	0	111.2
485	S	26.7	Very low	29.6	Very low	127 Å²	127	131.7 Å²	131.7	89%	0.888	72%	0.72	S	S	*	*			trans	59.7	160.7	-174.1	35.3	0	0	0	0	115.1
486	S	27.6	Very low	29.3	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	71%	0.712	S	S	*	*			cis	-116.5	170	-4.1	43.3	0	0	0	0	109.5
487	E	29.7	Very low	29.2	Very low	162 Å²	162	132.4 Å²	132.4	76%	0.757	72%	0.722	S	S	*	*				-177.2	160.1	62.1	-79.3	-165.5	161.4	0	0	107.5
488	I	29.1	Very low	29	Very low	122 Å²	122	134 Å²	134	63%	0.626	72%	0.723	S	S	*	*			cis	-157.8	137.7	-1.5	-117.8	169.4	0	0	0	109.3
489	L	28.9	Very low	28.8	Very low	146 Å²	146	131.3 Å²	131.3	76%	0.764	72%	0.72	S	S	*	*			trans	52.6	148.2	147.8	-51	178.7	0	0	0	121.1
490	T	28.1	Very low	29	Very low	100 Å²	100	131.6 Å²	131.6	61%	0.613	72%	0.723	S	S	*	*			cis	-162	147.3	-2.2	15.6	0	0	0	0	110.8
491	N	29.4	Very low	29	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	73%	0.725	S	S	*	*			trans	61.1	138.6	149.2	-55.9	11.9	0	0	0	119.9
492	D	29.4	Very low	29.2	Very low	135 Å²	135	132.1 Å²	132.1	72%	0.722	71%	0.713	S	S	*	*			cis	-155.9	139.1	-15.4	-109.7	-42.4	0	0	0	110.6
493	F	26.7	Very low	29.6	Very low	191 Å²	191	132.4 Å²	132.4	84%	0.838	70%	0.703	S	S	*	*			trans	-112.3	121.6	178.8	-111.9	-87.7	0	0	0	110.2
494	N	29.8	Very low	29.8	Very low	112 Å²	112	130.4 Å²	130.4	60%	0.599	70%	0.697	S	S	*	*			trans	-163.4	144.3	161	-91.6	-63.1	0	0	0	112.4
495	N	30	Very low	30	Very low	78 Å²	78	129.2 Å²	129.2	42%	0.417	69%	0.688	S	S	.	*			cis	172.9	140.8	-29.7	-107	-29.9	0	0	0	106.7
496	T	30.2	Very low	30.1	Very low	103 Å²	103	130.2 Å²	130.2	63%	0.632	68%	0.683	S	S	*	*			cis	-157.1	157.8	-1.8	-18.1	0	0	0	0	108.4
497	N	31.5	Very low	30.2	Very low	155 Å²	155	134 Å²	134	83%	0.829	69%	0.691	S	S	*	*			trans	-79.6	152.7	154.6	-84	-45.1	0	0	0	110.4
498	K	30.2	Very low	30.1	Very low	167 Å²	167	132.7 Å²	132.7	73%	0.726	69%	0.69	S	S	*	*			trans	-139.1	119.5	153.9	-100.5	-158.3	167.6	-174.1	0	108.4
499	C	29.1	Very low	30	Very low	101 Å²	101	137 Å²	137	68%	0.682	70%	0.698	S	S	*	*				81.6	135.2	81.3	-78.6	0	0	0	0	112.1
500	L	32	Very low	30.1	Very low	140 Å²	140	137.3 Å²	137.3	73%	0.733	70%	0.7	S	S	*	*			cis	-141.4	171.3	1.6	-93.9	141.4	0	0	0	107.7
501	L	30.1	Very low	30.2	Very low	140 Å²	140	141.3 Å²	141.3	73%	0.733	71%	0.708	S	S	*	*				172.7	145.2	62.7	-157.8	74.5	0	0	0	104.4
502	E	31	Very low	30.2	Very low	123 Å²	123	142.3 Å²	142.3	58%	0.575	71%	0.714	S	S	*	*			cis	-172.2	-175.8	-9.4	-109.6	-172.6	152.1	0	0	107.4
503	K	35.7	Very low	30.3	Very low	136 Å²	136	142.8 Å²	142.8	59%	0.591	72%	0.715	S	S	*	*			cis	-149.6	135.6	-1.3	-112.2	-141.4	165	57.4	0	108.3
504	H	32.1	Very low	30.4	Very low	157 Å²	157	140.1 Å²	140.1	73%	0.727	71%	0.709	S	S	*	*			trans	59.2	154.7	144	-74.6	-104.9	0	0	0	121
505	S	32.9	Very low	30.2	Very low	85 Å²	85	140.3 Å²	140.3	59%	0.594	71%	0.714	S	S	*	*			cis	-150.4	130.9	-13.4	-146.8	0	0	0	0	106
506	I	29.4	Very low	30.3	Very low	149 Å²	149	145.2 Å²	145.2	76%	0.764	73%	0.732	S	S	*	*				43.3	94.1	70.8	-48.8	178.1	0	0	0	113.3
507	M	29.1	Very low	30.2	Very low	178 Å²	178	145.8 Å²	145.8	88%	0.877	73%	0.731	S	S	*	*				-149.8	147.1	119	-161.8	60.2	75.1	0	0	109.3
508	N	28.5	Very low	30	Very low	136 Å²	136	144.7 Å²	144.7	73%	0.727	73%	0.725	S	S	*	*			trans	-135.3	164.9	-172.4	-171.9	-3.6	0	0	0	109.3
509	R	26.8	Very low	29.9	Very low	213 Å²	213	141.4 Å²	141.4	80%	0.804	72%	0.723	S	S	*	*			trans	85.1	152.2	168	-50.7	161.6	165.3	169.2	-6.5	117.1
510	L	29.8	Very low	29.9	Very low	152 Å²	152	143.2 Å²	143.2	80%	0.796	73%	0.726	S	S	*	*			trans	71.2	134.4	169.3	-50.8	172.3	0	0	0	114.7
511	K	31.5	Very low	29.9	Very low	183 Å²	183	143.8 Å²	143.8	80%	0.796	73%	0.727	S	S	*	*			cis	-162.9	158.6	-20.3	-131.7	179.9	-169.4	-179.7	0	107.1	I513	K511-I513 PolarHBondContact O-N 2.83Å
512	N	27.8	Very low	30	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	72%	0.722	S	S	*	*			trans	-61.5	133.7	162.5	-59.6	-3.7	0	0	0	109
513	I	31.5	Very low	30	Very low	146 Å²	146	145.4 Å²	145.4	75%	0.749	73%	0.732	S	S	*	*			trans	-175.5	119.4	141.2	-96.2	151.1	0	0	0	109.3	K511	K511-I513 PolarHBondContact O-N 2.83Å
514	D	29.3	Very low	29.9	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	74%	0.737	S	S	*	*			trans	39.4	119.6	144.3	-47.8	-27.6	0	0	0	121.9
515	T	27	Very low	30	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	74%	0.736	S	S	*	*				8.9	128.7	129.4	67.3	0	0	0	0	117.8
516	K	30.9	Very low	30.1	Very low	181 Å²	181	144 Å²	144	79%	0.787	74%	0.737	S	S	*	*				179.2	151.7	98.7	-98.2	174.2	-175.4	169.3	0	114.2
517	N	28	Very low	30.2	Very low	116 Å²	116	144 Å²	144	62%	0.62	73%	0.732	S	S	*	*			trans	58.4	124.4	146.3	-65.8	39.6	0	0	0	120.5
518	D	27.4	Very low	30.4	Very low	131 Å²	131	145.8 Å²	145.8	70%	0.701	73%	0.729	S	S	*	*				43.9	131.1	116.5	-30.9	-39.9	0	0	0	118.1
519	S	29.1	Very low	30.4	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	73%	0.734	S	S	*	*				-178.6	164.1	57.8	42.3	0	0	0	0	112.8
520	L	27.8	Very low	30.7	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	73%	0.727	S	S	*	*			trans	37.3	118.8	142.6	-81.2	48.1	0	0	0	117.2
521	M	32.9	Very low	30.5	Very low	152 Å²	152	143 Å²	143	75%	0.749	73%	0.73	S	S	*	*				-165.4	142.5	70.5	-90	-54.9	179.9	0	0	114.1
522	S	30.9	Very low	30.5	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	72%	0.724	S	S	*	*				40.9	143	127	-60	0	0	0	0	121.9
523	R	32	Very low	30.8	Very low	204 Å²	204	139.3 Å²	139.3	77%	0.77	72%	0.721	S	S	*	*			cis	-166.1	161	7.9	-121.9	173.2	174.8	175.1	1.4	110.5
524	D	32.5	Very low	30.8	Very low	131 Å²	131	139.5 Å²	139.5	70%	0.701	72%	0.719	S	S	*	*			trans	49.1	141.9	144.7	-50.7	-22.9	0	0	0	119.8
525	S	34.4	Very low	30.9	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	71%	0.71	S	S	*	*			cis	-168.2	177.8	-10.1	54.9	0	0	0	0	106.4
526	D	34.9	Very low	31.3	Very low	116 Å²	116	140.8 Å²	140.8	62%	0.62	71%	0.713	S	S	*	*			cis	-159.2	172.4	14.3	-146.1	-27.8	0	0	0	112.2
527	F	32.8	Very low	31.6	Very low	148 Å²	148	140.5 Å²	140.5	65%	0.649	72%	0.715	S	S	*	*			trans	67.4	97.6	161.5	-58.2	-53.6	0	0	0	122.4
528	R	33.5	Very low	31.9	Very low	217 Å²	217	142.1 Å²	142.1	82%	0.819	72%	0.723	S	S	*	*				90.6	79	120.5	-71	168.9	-173.2	-93.9	0.3	121.1
529	H	27.3	Very low	32.2	Very low	177 Å²	177	141.1 Å²	141.1	82%	0.819	72%	0.717	S	S	*	*				-43.2	160.7	115.7	-92.8	-49.5	0	0	0	112.8
530	P	32.5	Very low	32.6	Very low	104 Å²	104	146 Å²	146	68%	0.675	72%	0.72	S	S	*	*				-155.4	171.3	51	42.5	-20.8	0	0	0	119.9
531	L	27.6	Very low	32.8	Very low	162 Å²	162	147.7 Å²	147.7	85%	0.848	72%	0.722	S	S	*	*			trans	33.9	136	137.6	-55.1	165.6	0	0	0	119
532	A	30.3	Very low	32.8	Very low	81 Å²	81	147.9 Å²	147.9	67%	0.669	73%	0.725	S	S	*	*				177.6	151.9	57	0	0	0	0	0	114.4
533	K	33.8	Very low	32.8	Very low	177 Å²	177	154 Å²	154	77%	0.77	74%	0.736	S	S	*	*			trans	65.4	109.1	140.5	-71.5	175.8	177.7	-175.2	0	122.7
534	Q	31.6	Very low	32.8	Very low	151 Å²	151	153.1 Å²	153.1	71%	0.706	74%	0.741	S	S	*	*				96.5	125.1	116.1	-75.1	-177.2	-105.1	0	0	122.5
535	D	32.1	Very low	32.8	Very low	98 Å²	98	152.8 Å²	152.8	52%	0.524	74%	0.743	S	S	.	*			trans	79.2	88.7	141.6	-70.9	-62.7	0	0	0	122.9
536	K	36.2	Very low	32.6	Very low	178 Å²	178	154.4 Å²	154.4	77%	0.774	75%	0.749	S	S	*	*				81.1	140.6	124.1	-68.5	167.8	-179.5	126	0	122.6
537	Q	37.2	Very low	32.4	Very low	176 Å²	176	158.5 Å²	158.5	82%	0.822	76%	0.761	S	S	*	*			trans	81	92.4	153.1	-74.6	-177.6	-24.4	0	0	123.2
538	L	33.4	Very low	32.4	Very low	150 Å²	150	160 Å²	160	79%	0.785	77%	0.772	S	S	*	*				69.2	108	117.7	-80.6	167.1	0	0	0	124.5
539	D	34.4	Very low	32.4	Very low	109 Å²	109	155.4 Å²	155.4	58%	0.583	77%	0.769	S	S	*	*				101.2	112	115.6	-137	34.8	0	0	0	122.5
540	R	36.1	Very low	32.6	Very low	200 Å²	200	153.3 Å²	153.3	76%	0.755	77%	0.771	S	S	*	*			trans	72.9	151.4	141.5	-76.3	171.7	-154.7	-150.2	3.7	122.9
541	K	32.9	Very low	32.4	Very low	177 Å²	177	157.3 Å²	157.3	77%	0.77	77%	0.772	S	S	*	*			cis	-172.5	165.1	-26	-128.1	-173.1	-172.3	179.9	0	112.6
542	L	32	Very low	32.4	Very low	156 Å²	156	158.7 Å²	158.7	82%	0.817	77%	0.768	S	S	*	*			trans	113.3	158	145.9	-131.1	74.5	0	0	0	119.1
543	Y	31.3	Very low	32.5	Very low	220 Å²	220	159.7 Å²	159.7	86%	0.863	77%	0.77	S	S	*	*			trans	-141.4	166	-162.4	-104.1	-97.3	0	0	0	111.5
544	Q	32.5	Very low	32.3	Very low	186 Å²	186	162 Å²	162	87%	0.869	77%	0.773	S	S	*	*			trans	-146.4	164.6	163.9	-158.6	167.6	90.5	0	0	111.9
545	T	31.1	Very low	32.3	Very low	124 Å²	124	162.6 Å²	162.6	76%	0.761	78%	0.782	S	S	*	*			trans	-151.1	154.1	-171.7	-44.4	0	0	0	0	111.4
546	T	31.5	Very low	32.2	Very low	135 Å²	135	161.5 Å²	161.5	83%	0.828	78%	0.782	S	S	*	*			trans	-133.2	149.5	-175.7	-20	0	0	0	0	113
547	K	30.5	Very low	31.8	Very low	202 Å²	202	158.9 Å²	158.9	88%	0.878	78%	0.784	S	S	*	*			trans	-130.4	157.6	171.2	-74.2	-174.2	176.7	-178.8	0	110.5
548	M	33.2	Very low	31.4	Very low	180 Å²	180	154.5 Å²	154.5	89%	0.887	77%	0.773	S	S	*	*			trans	-113	163.5	178.2	-76.8	-94.7	79	0	0	113
549	T	33.1	Very low	31.3	Very low	121 Å²	121	155.4 Å²	155.4	74%	0.742	77%	0.771	S	S	*	*			trans	-145.1	159.4	-178.8	54	0	0	0	0	111.6
550	P	31.8	Very low	31.2	Very low	132 Å²	132	157.4 Å²	157.4	86%	0.857	77%	0.774	S	S	*	*			trans	-127.6	-174.4	155.3	23.4	-2.7	0	0	0	114.9
551	R	27.9	Very low	30.7	Very low	189 Å²	189	157 Å²	157	71%	0.713	77%	0.774	S	S	*	*			trans	-140.1	-176.2	-140.2	-61	174.8	175.3	-177.7	-1.5	115.5
552	Y	28.3	Very low	30.6	Very low	191 Å²	191	159.5 Å²	159.5	75%	0.749	78%	0.779	S	S	*	*			trans	84.2	157.8	156.4	-54.1	-56.8	0	0	0	117.3
553	S	30.9	Very low	30.5	Very low	102 Å²	102	157.4 Å²	157.4	71%	0.713	77%	0.772	S	S	*	*			cis	-157	132.4	-10.1	25.9	0	0	0	0	108.7
554	R	29.9	Very low	30.3	Very low	224 Å²	224	153.9 Å²	153.9	85%	0.845	77%	0.768	S	S	*	*				73	118	80.3	-161.8	-164.2	-155.1	170.2	11	114.8
555	N	32	Very low	30.1	Very low	165 Å²	165	150.3 Å²	150.3	88%	0.882	76%	0.76	S	S	*	*			trans	-139.8	155	146.3	-148.1	-48.1	0	0	0	107.7
556	S	29.1	Very low	29.9	Very low	75 Å²	75	152.5 Å²	152.5	52%	0.524	76%	0.762	S	S	.	*			trans	-168.5	130	-167.6	58.7	0	0	0	0	116.7
557	C	29.5	Very low	29.8	Very low	122 Å²	122	152.2 Å²	152.2	82%	0.824	76%	0.76	S	S	*	*			trans	-139.5	130.2	151.3	-87.6	0	0	0	0	109.4
558	S	28.2	Very low	29.7	Very low	84 Å²	84	150.6 Å²	150.6	59%	0.587	75%	0.753	S	S	*	*			cis	82.3	143.4	29.9	100.1	0	0	0	0	113.1
559	K	30.6	Very low	29.6	Very low	169 Å²	169	150.9 Å²	150.9	74%	0.735	75%	0.752	S	S	*	*			cis	-174.6	173.6	21	-141.9	165.4	-149.8	167.4	0	111.6
560	K	32.3	Very low	29.3	Very low	152 Å²	152	151 Å²	151	66%	0.661	75%	0.748	S	S	*	*			trans	73.9	154.2	154.3	-61.3	169.1	176.2	-177.5	0	118.2
561	Y	26.2	Very low	29.2	Very low	191 Å²	191	155.4 Å²	155.4	75%	0.749	75%	0.748	S	S	*	*			cis	-156.7	153.9	-23.9	-82.7	-49.8	0	0	0	105.4
562	R	30.7	Very low	29	Very low	230 Å²	230	151.7 Å²	151.7	87%	0.868	75%	0.751	S	S	*	*				-174.7	119.5	67	-98.3	-170	175.7	174.5	-2.3	108.2
563	T	30.1	Very low	29	Very low	111 Å²	111	149 Å²	149	68%	0.681	75%	0.748	S	S	*	*				72.7	104	96.9	59.8	0	0	0	0	118.9
564	L	27.6	Very low	28.8	Very low	147 Å²	147	148.3 Å²	148.3	77%	0.77	74%	0.74	S	S	*	*				54.7	158.1	128	-73.8	163.1	0	0	0	120.8	E566	L564-E566 HydrophobicContact CD2-CG 4.3Å
565	P	28.2	Very low	28.7	Very low	110 Å²	110	147 Å²	147	71%	0.714	74%	0.743	S	S	*	*			cis	-88.4	169.8	16.8	-5.4	27.8	0	0	0	114.9
566	E	25.9	Very low	28.4	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	73%	0.731	S	S	*	*				51.2	127.6	74.9	-46	-172.4	133.9	0	0	112.7	L564	L564-E566 HydrophobicContact CD2-CG 4.3Å
567	V	30.9	Very low	28.5	Very low	128 Å²	128	147.3 Å²	147.3	78%	0.776	74%	0.738	S	S	*	*				-128.8	142.5	56.3	169.8	0	0	0	0	113.1	Q569	V567-Q569 HydrophobicContact CG1-CG 4.3Å
568	K	26.5	Very low	28.5	Very low	168 Å²	168	151.2 Å²	151.2	73%	0.73	74%	0.741	S	S	*	*			trans	-84.9	139	157.9	-68.6	-176.7	176.8	-172.9	0	109.9
569	Q	32.6	Very low	28.5	Very low	186 Å²	186	150 Å²	150	87%	0.869	74%	0.742	S	S	*	*			trans	-118.7	92	153.3	-77.6	-169.1	-12.6	0	0	109	V567	V567-Q569 HydrophobicContact CG1-CG 4.3Å
570	D	26.6	Very low	28.5	Very low	125 Å²	125	148.5 Å²	148.5	67%	0.668	74%	0.741	S	S	*	*			trans	-65.1	128.9	161.9	-64.5	-68.6	0	0	0	108.3
571	R	28.4	Very low	28.3	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	75%	0.745	S	S	*	*			trans	-123.1	66.2	163.4	-159	173.9	-169.8	177.2	2.8	110.2	I573	R571-I573 PolarHBondContact O-N 2.77Å
572	S	24.5	Very low	28.5	Very low	112 Å²	112	146 Å²	146	78%	0.783	75%	0.747	S	S	*	*			trans	-58.2	120.7	165.4	51.5	0	0	0	0	110.2
573	I	28.1	Very low	28.6	Very low	134 Å²	134	143 Å²	143	69%	0.687	75%	0.748	S	S	*	*			trans	-128.5	137.6	158.1	-60.8	-177.5	0	0	0	105.8	R571	R571-I573 PolarHBondContact O-N 2.77Å
574	T	26.5	Very low	28.4	Very low	88 Å²	88	144.9 Å²	144.9	54%	0.54	75%	0.751	S	S	.	*			trans	-36.5	145.1	-175	39.7	0	0	0	0	114.8	D576	T574-D576 WeakPolarHBondContact CB-OD2 3.37Å; T574-D576 WeakPolarHBondContact CG2-OD2 2.92Å; T574-D576 PolarHBondContact OG1-OD2 3.01Å
575	E	27.8	Very low	28.5	Very low	197 Å²	197	142.9 Å²	142.9	92%	0.921	75%	0.747	S	S	*	*			cis	51.7	25.2	35.7	-139.8	-179.8	-118.7	0	0	114.7
576	D	26	Very low	28.5	Very low	118 Å²	118	144.7 Å²	144.7	63%	0.631	75%	0.746	S	S	*	*			trans	-108	77.3	174.9	-96.4	-45.8	0	0	0	110.3	T574	T574-D576 WeakPolarHBondContact CB-OD2 3.37Å; T574-D576 WeakPolarHBondContact CG2-OD2 2.92Å; T574-D576 PolarHBondContact OG1-OD2 3.01Å
577	L	31.8	Very low	28.7	Very low	128 Å²	128	143.5 Å²	143.5	67%	0.67	75%	0.745	S	S	*	*			trans	-137	13.3	148.5	-108.5	172.7	0	0	0	114.2	G579 L580	L577-G579 PolarHBondContact O-N 2.94Å; L577-L580 HydrophobicContact CD2-CB 3.83Å; L577-L580 HydrophobicContact CD2-CD1 4.02Å; L577-L580 HydrophobicContact CD2-CG 4.15Å; L577-L580 PolarHBondContact O-N 3.16Å
578	K	28.9	Very low	28.9	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	30	151.5	-85.5	-178.4	174.5	172.5	0	112.4
579	G	28.3	Very low	29	Very low	58 Å²	58	149.1 Å²	149.1	60%	0.598	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-14.3	172.1	0	0	0	0	0	114	L577	L577-G579 PolarHBondContact O-N 2.94Å
580	L	30.5	Very low	29	Very low	139 Å²	139	144.8 Å²	144.8	73%	0.728	74%	0.744	S	S	*	*			trans	-111.1	30.3	167.3	-78.1	173.7	0	0	0	112.6	L577 K582	L577-L580 HydrophobicContact CD2-CB 3.83Å; L577-L580 HydrophobicContact CD2-CD1 4.02Å; L577-L580 HydrophobicContact CD2-CG 4.15Å; L577-L580 PolarHBondContact O-N 3.16Å; L580-K582 PolarHBondContact O-N 3.28Å
581	S	29	Very low	29.3	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	75%	0.752	S	S	*	*			trans	-78.4	65.3	157.2	-168.1	0	0	0	0	109.4
582	K	30.6	Very low	29.4	Very low	182 Å²	182	138.3 Å²	138.3	79%	0.791	74%	0.739	S	S	*	*			trans	-168.5	71.8	175.5	-114.9	175.3	-174.7	-179.6	0	110.8	L580	L580-K582 PolarHBondContact O-N 3.28Å
583	L	32.4	Very low	30.1	Very low	168 Å²	168	139.3 Å²	139.3	88%	0.88	73%	0.734	S	S	*	*			trans	171.9	83.9	153	-95.2	162.2	0	0	0	108.6
584	M	26.5	Very low	30.1	Very low	150 Å²	150	141.6 Å²	141.6	74%	0.739	74%	0.74	S	S	*	*			trans	-79.3	151.7	142.2	-58.5	-147.4	71.3	0	0	106.8
585	P	29.1	Very low	30.4	Very low	106 Å²	106	143.2 Å²	143.2	69%	0.688	74%	0.741	S	S	*	*				-103.8	149.8	67.5	-6.2	27.1	0	0	0	111.8
586	E	28	Very low	30.6	Very low	148 Å²	148	141.2 Å²	141.2	69%	0.692	73%	0.729	S	S	*	*				87.6	132.4	53.3	-64.9	168.6	130.5	0	0	113.1
587	D	30.5	Very low	30.7	Very low	145 Å²	145	140 Å²	140	78%	0.775	73%	0.73	S	S	*	*			trans	67.5	160.2	173.5	-55.5	-23.1	0	0	0	120.2
588	W	33.6	Very low	30.4	Very low	238 Å²	238	143.4 Å²	143.4	90%	0.902	74%	0.74	S	S	*	*			trans	74.7	72.3	176.2	-52.7	94.3	0	0	0	118.6
589	D	28.8	Very low	30.4	Very low	177 Å²	177	138.9 Å²	138.9	95%	0.947	73%	0.731	S	S	*	*	S	Bend		-160.8	67.6	123.7	-114.3	-12.6	0	0	0	110.6
590	D	33.1	Very low	30.3	Very low	95 Å²	95	143 Å²	143	51%	0.508	74%	0.739	S	S	.	*			trans	-142.3	121.2	-179.2	-169.4	-13.7	0	0	0	111.8	S592 I593	D590-S592 PolarHBondContact OD1-N 3.29Å; D590-I593 PolarHBondContact OD1-N 2.97Å; D590-I593 WeakPolarHBondContact OD2-CB 3.43Å; D590-I593 PolarHBondContact OD2-N 3.35Å
591	P	32.8	Very low	30	Very low	131 Å²	131	144 Å²	144	85%	0.851	74%	0.74	S	S	*	*	S	Bend	trans	-128.4	35.9	160.6	39.8	-27.3	0	0	0	113.5
592	S	30.8	Very low	30	Very low	81 Å²	81	145 Å²	145	57%	0.566	74%	0.737	S	S	*	*			trans	-163.3	41.7	150.3	29.2	0	0	0	0	118.5	D590 F594 Q595	D590-S592 PolarHBondContact OD1-N 3.29Å; S592-F594 CarbonylContact C-O 3.58Å; S592-F594 WeakPolarHBondContact CA-O 3.35Å; S592-F594 WeakPolarHBondContact CB-O 3.38Å; S592-F594 CarbonylContact O-C 3.1Å; S592-Q595 PolarHBondContact O-N 2.87Å
593	I	40.2	Very low	29.8	Very low	132 Å²	132	141.1 Å²	141.1	68%	0.677	73%	0.732	S	S	*	*			trans	-111.1	103.1	132.2	-63.7	-178.6	0	0	0	107.4	D590	D590-I593 PolarHBondContact OD1-N 2.97Å; D590-I593 WeakPolarHBondContact OD2-CB 3.43Å; D590-I593 PolarHBondContact OD2-N 3.35Å
594	F	27.7	Very low	29.7	Very low	183 Å²	183	138.1 Å²	138.1	80%	0.803	72%	0.723	S	S	*	*	S	Bend	cis	-47.5	118.4	3.1	-52	-88.8	0	0	0	115.5	S592	S592-F594 CarbonylContact C-O 3.58Å; S592-F594 WeakPolarHBondContact CA-O 3.35Å; S592-F594 WeakPolarHBondContact CB-O 3.38Å; S592-F594 CarbonylContact O-C 3.1Å
595	Q	32.1	Very low	30	Very low	122 Å²	122	137.4 Å²	137.4	57%	0.57	73%	0.727	S	S	*	*	S	Bend	cis	-159.1	155.4	14.2	-59.3	-168.8	17	0	0	108.4	S592	S592-Q595 PolarHBondContact O-N 2.87Å
596	K	31.2	Very low	30	Very low	154 Å²	154	138.7 Å²	138.7	67%	0.67	73%	0.728	S	S	*	*			cis	-163.4	165.9	0.1	-119.8	166.2	-167	157.5	0	110.8
597	S	29.8	Very low	30.1	Very low	93 Å²	93	137.3 Å²	137.3	65%	0.65	73%	0.73	S	S	*	*			trans	-44.2	142.1	159.5	23.1	0	0	0	0	116.4
598	F	23.7	Very low	30.1	Very low	199 Å²	199	135.4 Å²	135.4	87%	0.873	73%	0.726	S	S	*	*				51.2	165.9	121.4	-84.4	-59.9	0	0	0	120.6
599	P	30	Very low	29.8	Very low	108 Å²	108	133.8 Å²	133.8	70%	0.701	72%	0.72	S	S	*	*				-115	150.5	-129.2	40.2	-28.5	0	0	0	115.6
600	L	25.9	Very low	30	Very low	145 Å²	145	132.7 Å²	132.7	76%	0.759	71%	0.709	S	S	*	*			trans	-139.5	143.3	160.1	-79.8	103.4	0	0	0	108.1
601	Q	24.9	Very low	29.9	Very low	159 Å²	159	137.8 Å²	137.8	74%	0.743	72%	0.722	S	S	*	*				52.2	116.3	74.6	-91.6	176.7	-6.7	0	0	110.5
602	N	28.8	Very low	29.6	Very low	129 Å²	129	135.8 Å²	135.8	69%	0.69	71%	0.71	S	S	*	*			cis	-149.2	150.8	37.3	-64.3	-59.2	0	0	0	108.5
603	S	25.1	Very low	29.6	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	72%	0.718	S	S	*	*				54.6	144.9	54.7	77	0	0	0	0	115.6
604	P	32	Very low	29.1	Very low	105 Å²	105	141.7 Å²	141.7	68%	0.682	72%	0.722	S	S	*	*			cis	-129.2	-177	-25.7	40.7	-25.1	0	0	0	112.3
605	T	32	Very low	29.2	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	71%	0.714	S	S	*	*			trans	158.4	148.7	142.8	35.6	0	0	0	0	110.5
606	D	29.8	Very low	29.1	Very low	133 Å²	133	141 Å²	141	71%	0.711	72%	0.724	S	S	*	*			cis	-153.1	153.4	-46	-131.4	-49.8	0	0	0	110
607	T	28.2	Very low	28.8	Very low	119 Å²	119	143 Å²	143	73%	0.73	73%	0.729	S	S	*	*			trans	-76.6	160.6	176.9	62.5	0	0	0	0	111.2
608	P	30.7	Very low	29.1	Very low	105 Å²	105	144.4 Å²	144.4	68%	0.682	74%	0.736	S	S	*	*				-154.4	136	96.3	35.1	-15.8	0	0	0	117.6
609	R	27.5	Very low	29.4	Very low	205 Å²	205	141.7 Å²	141.7	77%	0.774	73%	0.725	S	S	*	*			trans	60.2	154.8	135.1	-50.5	168.8	-173.9	-178.6	0.2	117.8
610	H	34.4	Very low	29.4	Very low	154 Å²	154	141.9 Å²	141.9	71%	0.713	72%	0.721	S	S	*	*			cis	-128.9	147.1	18.6	-86.3	-95.6	0	0	0	110.2
611	Y	30.1	Very low	29.6	Very low	202 Å²	202	141.5 Å²	141.5	79%	0.792	72%	0.715	S	S	*	*				51.9	135.3	78.1	-86.2	-108.3	0	0	0	114.1
612	C	26.9	Very low	30.1	Very low	89 Å²	89	139.9 Å²	139.9	60%	0.601	71%	0.711	S	S	*	*			cis	-179	167.1	-17.3	-137.7	0	0	0	0	108.7
613	N	30.4	Very low	30.2	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	71%	0.713	S	S	*	*			trans	66.5	161.3	157.2	-64.1	-31.4	0	0	0	116.4
614	R	29.4	Very low	30.3	Very low	201 Å²	201	144.7 Å²	144.7	76%	0.758	71%	0.709	S	S	*	*			cis	-170.1	151	-10.9	-118	175.7	161.3	-165.4	-6.4	109.4
615	L	29.2	Very low	30.2	Very low	123 Å²	123	149 Å²	149	64%	0.644	71%	0.713	S	S	*	*			trans	63.1	166.2	151.2	-56	168.1	0	0	0	115.7
616	E	30.1	Very low	30.3	Very low	166 Å²	166	150.7 Å²	150.7	78%	0.776	72%	0.715	S	S	*	*			cis	-152.5	176	-9.4	-129.2	150	-173.5	0	0	110.7
617	Y	26.3	Very low	30.3	Very low	198 Å²	198	147 Å²	147	78%	0.776	71%	0.708	S	S	*	*			trans	-80.9	153.6	174.1	-100.6	-99.1	0	0	0	112.5	H619	Y617-H619 HydrophobicContact CD1-CB 4.11Å; Y617-H619 AromaticContact CD1-CD2 3.75Å; Y617-H619 AromaticContact CE1-CD2 3.98Å
618	P	36.2	Very low	30.4	Very low	121 Å²	121	147.6 Å²	147.6	79%	0.786	71%	0.712	S	S	*	*				-135.9	146	102.5	36.8	-26.4	0	0	0	111.8
619	H	29.1	Very low	30.4	Very low	142 Å²	142	150.8 Å²	150.8	66%	0.657	72%	0.722	S	S	*	*			cis	76.2	129.6	18.3	-121.7	-69.3	0	0	0	116.7	Y617	Y617-H619 HydrophobicContact CD1-CB 4.11Å; Y617-H619 AromaticContact CD1-CD2 3.75Å; Y617-H619 AromaticContact CE1-CD2 3.98Å
620	N	29.6	Very low	30.4	Very low	113 Å²	113	144.1 Å²	144.1	60%	0.604	72%	0.717	S	S	*	*			trans	67	156.5	173.5	-66.5	19.4	0	0	0	116.4
621	E	31.1	Very low	30.4	Very low	137 Å²	137	142.3 Å²	142.3	64%	0.64	72%	0.721	S	S	*	*			cis	-158.4	154.8	-18.6	-106.6	155.9	169.5	0	0	104.3
622	D	35.6	Very low	30.5	Very low	125 Å²	125	141.5 Å²	141.5	67%	0.668	72%	0.722	S	S	*	*			cis	-167.6	170.2	48.5	-97.2	-44	0	0	0	107.5
623	R	29.9	Very low	30.8	Very low	192 Å²	192	144 Å²	144	73%	0.725	74%	0.735	S	S	*	*			cis	71.5	146.8	38.7	-60	177.3	169.9	-164.4	0.5	113.4
624	F	28	Very low	31	Very low	138 Å²	138	145.7 Å²	145.7	61%	0.605	74%	0.74	S	S	*	*			cis	-163.9	164.4	-8.2	-123.2	-45.1	0	0	0	110.6
625	Y	29.4	Very low	31.4	Very low	196 Å²	196	141 Å²	141	77%	0.769	74%	0.735	S	S	*	*			trans	60.4	-178.7	166.3	-58.9	-63.9	0	0	0	116.1
626	I	33.5	Very low	31.5	Very low	169 Å²	169	139.7 Å²	139.7	87%	0.867	74%	0.737	S	S	*	*			cis	-144	153.9	12.2	-55.1	166.7	0	0	0	107.9
627	G	29.9	Very low	31.6	Very low	55 Å²	55	136.3 Å²	136.3	57%	0.567	73%	0.732	S	S	*	*			cis	157.3	56.1	-7	0	0	0	0	0	116
628	T	30.4	Very low	31.9	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	73%	0.728	S	S	*	*			trans	63.9	166	171.9	44.8	0	0	0	0	120.3
629	L	30.5	Very low	31.8	Very low	172 Å²	172	132.9 Å²	132.9	90%	0.901	72%	0.724	S	S	*	*			trans	66.3	150.4	-178.8	-57.2	103.2	0	0	0	115.5
630	G	29.3	Very low	31.8	Very low	64 Å²	64	130.5 Å²	130.5	66%	0.66	72%	0.724	S	S	*	*			cis	163.9	146.9	-10.7	0	0	0	0	0	112.7
631	S	33.6	Very low	31.9	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	74%	0.736	S	S	*	*			trans	66.8	160.3	-177.9	-61.8	0	0	0	0	115.8
632	K	31.4	Very low	32.1	Very low	186 Å²	186	135.1 Å²	135.1	81%	0.809	75%	0.746	S	S	*	*			cis	-164.5	-179.4	-22.9	-106.8	179.1	179.1	178.2	0	107.3
633	V	34.6	Very low	32	Very low	142 Å²	142	133.8 Å²	133.8	86%	0.861	74%	0.744	S	S	*	*			trans	84.1	120.6	161.2	-169.7	0	0	0	0	116.9
634	M	34.6	Very low	31.8	Very low	170 Å²	170	128.9 Å²	128.9	84%	0.837	74%	0.739	S	S	*	*			trans	-99.9	166.3	163.2	-144.9	-155.9	-174.2	0	0	108.1
635	P	37.7	Very low	31.8	Very low	102 Å²	102	131.9 Å²	131.9	66%	0.662	75%	0.752	S	S	*	*				-156.6	-179.2	78.8	36.8	-14.4	0	0	0	117.2
636	S	31.2	Very low	31.9	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	75%	0.749	S	S	*	*			trans	66.9	143.6	145.4	48.2	0	0	0	0	121.1
637	S	32.7	Very low	32	Very low	95 Å²	95	125 Å²	125	66%	0.664	75%	0.745	S	S	*	*			cis	-171.2	164.9	-11.5	51.5	0	0	0	0	112.2
638	T	31.8	Very low	32	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	76%	0.758	S	S	*	*			trans	54	131.6	146.1	50.3	0	0	0	0	119.7
639	N	34.4	Very low	32	Very low	134 Å²	134	130.3 Å²	130.3	72%	0.717	76%	0.755	S	S	*	*			cis	-148.2	146.2	10.7	-80.8	-36.9	0	0	0	107.7
640	S	28.6	Very low	31.9	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	75%	0.745	S	S	*	*			cis	83.5	140.8	41.4	88.7	0	0	0	0	115.2
641	M	32.4	Very low	32	Very low	174 Å²	174	130.1 Å²	130.1	86%	0.857	75%	0.747	S	S	*	*			trans	86	98.1	168.3	-53.2	-169.5	77.6	0	0	121
642	M	34.7	Very low	32.1	Very low	173 Å²	173	130.3 Å²	130.3	85%	0.852	74%	0.743	S	S	*	*				-62.9	165	126.3	-93.8	-96.2	170.8	0	0	110.3
643	P	34	Very low	32.5	Very low	96 Å²	96	125.9 Å²	125.9	62%	0.623	73%	0.734	S	S	*	*			cis	-137.8	-173.8	-1.6	39.9	-21.3	0	0	0	115.3
644	S	25.7	Very low	32.5	Very low	89 Å²	89	126.4 Å²	126.4	62%	0.622	73%	0.73	S	S	*	*			trans	77.8	150.2	138.7	76.3	0	0	0	0	123.3
645	F	28	Very low	32.5	Very low	202 Å²	202	121.9 Å²	121.9	89%	0.886	72%	0.715	S	S	*	*			trans	65.4	147.7	161.8	-63.3	-67	0	0	0	121.6
646	S	31.3	Very low	32.5	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	72%	0.722	S	S	*	*			trans	-88.6	167.3	169.5	57.1	0	0	0	0	110.6
647	P	36.3	Very low	32.6	Very low	119 Å²	119	126 Å²	126	77%	0.773	72%	0.722	S	S	*	*				-150.7	172.3	94.7	39	-21.1	0	0	0	117.6
648	F	29.3	Very low	32.7	Very low	195 Å²	195	126.5 Å²	126.5	86%	0.855	73%	0.725	S	S	*	*			trans	-26.9	169.1	164.8	-71.3	-94	0	0	0	122.5
649	S	29.4	Very low	32.8	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	73%	0.726	S	S	*	*			trans	91.2	151.8	147	-144	0	0	0	0	114.9
650	T	29.4	Very low	32.6	Very low	113 Å²	113	125.1 Å²	125.1	69%	0.693	73%	0.73	S	S	*	*			cis	-153	134.8	22	-47.3	0	0	0	0	113.5
651	V	31.5	Very low	32.8	Very low	118 Å²	118	129 Å²	129	72%	0.715	74%	0.741	S	S	*	*			trans	71.3	137.8	150.6	158.9	0	0	0	0	119.6
652	V	34.9	Very low	32.8	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	74%	0.742	S	S	*	*			cis	91.6	147.9	28.7	160.2	0	0	0	0	112.1
653	P	39.2	Very low	32.8	Very low	94 Å²	94	128.6 Å²	128.6	61%	0.61	74%	0.738	S	S	*	*			cis	-146.1	-145.9	-31.1	42.3	-21.4	0	0	0	113.5
654	I	34.5	Very low	32.5	Very low	153 Å²	153	128.1 Å²	128.1	79%	0.785	74%	0.736	S	S	*	*			trans	83.4	134.5	149.6	-86.7	162.5	0	0	0	117.7
655	S	34.8	Very low	32.7	Very low	74 Å²	74	133.4 Å²	133.4	52%	0.517	75%	0.748	S	S	.	*			cis	-172.8	166.3	-15.7	72.2	0	0	0	0	116.1
656	K	39.5	Very low	32.9	Very low	184 Å²	184	128.9 Å²	128.9	80%	0.8	74%	0.741	S	S	*	*			trans	72	151	148.7	-69.6	164	-167.5	170.8	0	118
657	C	31.7	Very low	33	Very low	101 Å²	101	132.5 Å²	132.5	68%	0.682	75%	0.747	S	S	*	*			cis	-157.4	145.6	-20.6	-114.2	0	0	0	0	107.5
658	S	34.8	Very low	32.7	Very low	106 Å²	106	133 Å²	133	74%	0.741	74%	0.743	S	S	*	*				54.8	136.7	87.2	-43.4	0	0	0	0	114.1
659	S	34.5	Very low	32.6	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	74%	0.736	S	S	*	*			cis	-163.5	126.3	12.7	33.2	0	0	0	0	108.8
660	C	30.9	Very low	32.5	Very low	117 Å²	117	133.4 Å²	133.4	79%	0.791	73%	0.734	S	S	*	*				50.1	123.3	83.8	79.1	0	0	0	0	117.5
661	I	32.3	Very low	32.6	Very low	173 Å²	173	133.8 Å²	133.8	89%	0.887	73%	0.732	S	S	*	*			trans	-163.6	138.4	148.2	-98	148	0	0	0	110.9
662	Y	31.2	Very low	32.5	Very low	223 Å²	223	136 Å²	136	88%	0.875	73%	0.732	S	S	*	*			trans	-158.3	175.6	170.4	-107.4	-80.3	0	0	0	104.3
663	P	34.9	Very low	32.1	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	73%	0.73	S	S	*	*			cis	-114.6	-126	-14.8	23.4	2.7	0	0	0	109.4
664	S	29.3	Very low	31.5	Very low	85 Å²	85	140.5 Å²	140.5	59%	0.594	74%	0.737	S	S	*	*			cis	-167.3	154.1	-0.1	94.1	0	0	0	0	114.1
665	K	28.6	Very low	31	Very low	201 Å²	201	138.1 Å²	138.1	87%	0.874	74%	0.735	S	S	*	*			trans	59.3	114.7	148.1	-63.2	178	177.2	-173.2	0	121.5
666	S	33.3	Very low	30.5	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	75%	0.75	S	S	*	*				-164	140.8	126.2	64.1	0	0	0	0	106.3
667	E	31.8	Very low	29.9	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	74%	0.743	S	S	*	*				50.5	133.4	70.3	-70.7	-178	169.3	0	0	114.2
668	N	31.2	Very low	29.6	Very low	129 Å²	129	141 Å²	141	69%	0.69	74%	0.743	S	S	*	*			cis	-164.5	166	-20.9	-157.9	-7	0	0	0	109.1
669	F	26.4	Very low	29.1	Very low	161 Å²	161	143 Å²	143	71%	0.706	74%	0.743	S	S	*	*			trans	64.2	160.4	166.4	-81.8	-76.3	0	0	0	120
670	H	28.1	Very low	28.8	Very low	149 Å²	149	144.6 Å²	144.6	69%	0.69	74%	0.743	S	S	*	*			trans	37.7	121.1	150	-72.9	-66.4	0	0	0	118.5
671	N	31	Very low	28.6	Very low	121 Å²	121	144 Å²	144	65%	0.647	74%	0.74	S	S	*	*			cis	-170.6	162	42.5	-114.3	-20.8	0	0	0	115.2
672	F	29	Very low	28.5	Very low	165 Å²	165	142.4 Å²	142.4	72%	0.724	73%	0.732	S	S	*	*			trans	58.7	113	144.2	-84.6	-132.3	0	0	0	121.5
673	L	27	Very low	28.3	Very low	129 Å²	129	139 Å²	139	68%	0.675	73%	0.729	S	S	*	*				54.4	114.3	121.3	-63.8	-176.2	0	0	0	120.1
674	K	26.3	Very low	28	Very low	178 Å²	178	138.4 Å²	138.4	77%	0.774	73%	0.727	S	S	*	*				46.3	126.1	121.9	-69.7	-173.5	176.1	-178	0	118.6
675	S	24.8	Very low	28	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	74%	0.736	S	S	*	*			trans	73.5	153	131.7	79.6	0	0	0	0	116.3
676	Y	24.2	Very low	28	Very low	213 Å²	213	134.7 Å²	134.7	84%	0.835	72%	0.724	S	S	*	*			cis	-156.1	-176.6	-3.5	-139.6	-145.1	0	0	0	108.3
677	V	26.7	Very low	27.6	Very low	109 Å²	109	136.8 Å²	136.8	66%	0.661	73%	0.727	S	S	*	*			trans	66	111	155.7	170.6	0	0	0	0	117
678	S	24.9	Very low	27.6	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	73%	0.726	S	S	*	*				37.2	142.1	125.9	-36.9	0	0	0	0	120.9
679	M	25.7	Very low	27.4	Very low	150 Å²	150	135.7 Å²	135.7	74%	0.739	73%	0.73	S	S	*	*				-169.9	135.8	92.6	-96	-47.9	-149.8	0	0	114.8
680	N	26.8	Very low	27.4	Very low	134 Å²	134	133.7 Å²	133.7	72%	0.717	73%	0.731	S	S	*	*			trans	68.7	153.8	140.5	-65.4	-23	0	0	0	123.4
681	S	27.5	Very low	27.2	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	74%	0.735	S	S	*	*			trans	88.1	127	142.1	176.4	0	0	0	0	118.8
682	L	29.3	Very low	27.1	Very low	140 Å²	140	131 Å²	131	73%	0.733	74%	0.738	S	S	*	*			cis	-164.2	146.4	-9.9	-100.9	170.1	0	0	0	106.4
683	L	28.1	Very low	27	Very low	153 Å²	153	130.4 Å²	130.4	80%	0.801	74%	0.742	S	S	*	*			trans	53.1	135.8	156.3	-86	45	0	0	0	118.6
684	S	28.6	Very low	27	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	74%	0.743	S	S	*	*			cis	-146.2	141.2	22.6	-74	0	0	0	0	109.3
685	S	28.5	Very low	27	Very low	112 Å²	112	126 Å²	126	78%	0.783	74%	0.744	S	S	*	*				74.7	153.4	79.9	-117.2	0	0	0	0	113.6
686	P	28.5	Very low	27.1	Very low	97 Å²	97	128.5 Å²	128.5	63%	0.63	75%	0.748	S	S	*	*				-136.2	172.8	-103.6	39.2	-21.5	0	0	0	116.9
687	N	25.6	Very low	27.4	Very low	150 Å²	150	125.1 Å²	125.1	80%	0.802	74%	0.744	S	S	*	*			trans	72.1	149.5	159.7	-59.1	-24.1	0	0	0	119.3
688	M	32.6	Very low	27.5	Very low	163 Å²	163	127.9 Å²	127.9	80%	0.803	75%	0.751	S	S	*	*			trans	-5.1	134.4	159.1	-71.1	-76.3	100.4	0	0	117.2
689	P	26.7	Very low	27.8	Very low	120 Å²	120	127.9 Å²	127.9	78%	0.779	75%	0.749	S	S	*	*				-137.7	-167.7	63.5	41.7	-27.4	0	0	0	115.8
690	T	24.7	Very low	28	Very low	118 Å²	118	129 Å²	129	72%	0.724	75%	0.753	S	S	*	*			trans	-76.2	162.7	-174.3	42.5	0	0	0	0	114.8
691	S	25.7	Very low	28.1	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	75%	0.752	S	S	*	*			trans	87.1	151.5	158.9	83	0	0	0	0	119.8
692	S	27.7	Very low	28.3	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	76%	0.758	S	S	*	*			trans	85.5	103.6	163.7	72.1	0	0	0	0	121.3
693	I	27.4	Very low	28.5	Very low	154 Å²	154	131.8 Å²	131.8	79%	0.79	76%	0.758	S	S	*	*				77.4	84.5	128.6	-57.1	168.1	0	0	0	118.8
694	S	26.1	Very low	28.2	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	76%	0.762	S	S	*	*				87.4	111.6	120.3	-60.8	0	0	0	0	123.3
695	S	27	Very low	28.1	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	77%	0.766	S	S	*	*			trans	85.2	150.2	144.7	76.8	0	0	0	0	119.8
696	L	27.7	Very low	28	Very low	158 Å²	158	133.9 Å²	133.9	83%	0.827	76%	0.758	S	S	*	*			trans	73.2	139.6	-165.8	-45.7	171.7	0	0	0	112.4
697	L	29.3	Very low	27.8	Very low	141 Å²	141	136.9 Å²	136.9	74%	0.738	77%	0.769	S	S	*	*			cis	-158.1	135.6	-1.4	-156.2	88	0	0	0	111.3
698	M	29.3	Very low	27.9	Very low	167 Å²	167	132.4 Å²	132.4	82%	0.823	75%	0.749	S	S	*	*			trans	61.4	158.1	167.2	-66.1	-69.1	174.4	0	0	119.4
699	P	30.6	Very low	27.5	Very low	97 Å²	97	134.5 Å²	134.5	63%	0.63	75%	0.75	S	S	*	*				-126.4	-173.4	-51.1	38.5	-23.2	0	0	0	112.5
700	Q	30.4	Very low	27.5	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	75%	0.75	S	S	*	*			trans	87.9	134.3	-178.1	-50.3	164.1	16.9	0	0	113.2
701	I	29.8	Very low	27.6	Very low	137 Å²	137	138 Å²	138	70%	0.703	75%	0.748	S	S	*	*			cis	79.8	123.3	27	-53.9	166.3	0	0	0	111
702	F	31.1	Very low	27.5	Very low	194 Å²	194	138 Å²	138	85%	0.851	75%	0.748	S	S	*	*			cis	-126	173	20.5	-66.3	-91.1	0	0	0	112.4
703	S	33.3	Very low	27.5	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	75%	0.749	S	S	*	*			cis	-167.8	118.4	-31.6	57.4	0	0	0	0	111.2
704	T	23	Very low	27.5	Very low	144 Å²	144	135.4 Å²	135.4	88%	0.883	74%	0.739	S	S	*	*			trans	-141.5	154.5	171.1	29.7	0	0	0	0	111
705	L	25.6	Very low	27.6	Very low	153 Å²	153	137.9 Å²	137.9	80%	0.801	74%	0.741	S	S	*	*			trans	-73	169.2	171.4	-87.9	75.2	0	0	0	111.2
706	N	26.6	Very low	27.6	Very low	116 Å²	116	139.8 Å²	139.8	62%	0.62	74%	0.735	S	S	*	*			trans	75.5	95.6	167.2	-55.4	-18.5	0	0	0	116.1
707	N	24	Very low	27.7	Very low	160 Å²	160	137.2 Å²	137.2	86%	0.856	73%	0.731	S	S	*	*				-127	121.8	91.7	-109.1	-49	0	0	0	111.8
708	S	26.7	Very low	27.7	Very low	56 Å²	56	136.8 Å²	136.8	39%	0.392	73%	0.734	S	S	.	*			trans	-76.1	175.2	169.5	37.1	0	0	0	0	110.5
709	Y	25.3	Very low	27.7	Very low	207 Å²	207	133.9 Å²	133.9	81%	0.812	73%	0.73	S	S	*	*			trans	71	146.6	177.4	-34.8	-68.1	0	0	0	113.6
710	K	26.5	Very low	27.5	Very low	181 Å²	181	133.8 Å²	133.8	79%	0.787	73%	0.731	S	S	*	*			cis	-126.9	152	15.7	-87	-172.7	171.4	179.2	0	113.6
711	L	27.2	Very low	27.4	Very low	130 Å²	130	133.1 Å²	133.1	68%	0.681	73%	0.733	S	S	*	*			trans	44.1	112.7	143.8	-81.8	67.3	0	0	0	116.9
712	S	23.9	Very low	27.2	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	74%	0.735	S	S	*	*			cis	53.4	158.5	36.6	-51.4	0	0	0	0	114.5
713	T	26.8	Very low	27	Very low	121 Å²	121	129 Å²	129	74%	0.742	73%	0.734	S	S	*	*			trans	72.6	117	-176.4	72.2	0	0	0	0	113.8
714	S	27.6	Very low	26.6	Very low	82 Å²	82	130.7 Å²	130.7	57%	0.573	73%	0.734	S	S	*	*			cis	93.5	118.1	36.1	-177.6	0	0	0	0	113.2
715	M	27.4	Very low	27	Very low	154 Å²	154	130.8 Å²	130.8	76%	0.759	73%	0.73	S	S	*	*				-139	115.8	121	-76.4	-56.3	160.7	0	0	106.5
716	K	27.6	Very low	27.1	Very low	150 Å²	150	131 Å²	131	65%	0.652	73%	0.731	S	S	*	*				69	118.1	86.3	-69.8	-174.5	-157.7	162.4	0	112.7
717	S	30.3	Very low	27.3	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	74%	0.739	S	S	*	*				92.8	170.1	51.2	-66.2	0	0	0	0	113.2
718	T	28.2	Very low	27.4	Very low	132 Å²	132	130 Å²	130	81%	0.81	73%	0.732	S	S	*	*			trans	74.8	143.1	-168.6	76.7	0	0	0	0	113.3
719	S	29.8	Very low	27.6	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	75%	0.751	S	S	*	*			cis	-138.8	155.5	0.2	51.1	0	0	0	0	109.6
720	S	26.9	Very low	27.7	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	75%	0.75	S	S	*	*			cis	77.4	94.2	15.5	82.6	0	0	0	0	117.7
721	L	27.3	Very low	28	Very low	159 Å²	159	129.7 Å²	129.7	83%	0.832	76%	0.757	S	S	*	*			trans	-174.6	132.5	141.8	-115.1	68	0	0	0	106
722	C	25.3	Very low	28.1	Very low	112 Å²	112	127.1 Å²	127.1	76%	0.757	76%	0.762	S	S	*	*				62.1	140.6	89.8	-54.2	0	0	0	0	113.5
723	T	28.3	Very low	28.5	Very low	134 Å²	134	128 Å²	128	82%	0.822	77%	0.768	S	S	*	*			cis	-146	173.9	32.4	41.3	0	0	0	0	113.8
724	N	24.9	Very low	29	Very low	139 Å²	139	125.2 Å²	125.2	74%	0.743	76%	0.763	S	S	*	*			trans	-65.4	163.2	170.1	-42	-43	0	0	0	112.2
725	N	31.2	Very low	29.3	Very low	146 Å²	146	128.3 Å²	128.3	78%	0.781	77%	0.773	S	S	*	*				178.6	130.2	112.9	-88.5	-12	0	0	0	112
726	D	27	Very low	29.7	Very low	157 Å²	157	130.5 Å²	130.5	84%	0.84	77%	0.773	S	S	*	*			trans	-69	141.8	151.6	-59.6	-78	0	0	0	109.5
727	I	32.3	Very low	30.1	Very low	153 Å²	153	129.1 Å²	129.1	79%	0.785	77%	0.773	S	S	*	*			trans	-168.4	143.1	152.6	-103.4	148.8	0	0	0	110
728	S	24.6	Very low	30.4	Very low	101 Å²	101	130 Å²	130	71%	0.706	77%	0.769	S	S	*	*			trans	-112	120.5	-178.8	55.4	0	0	0	0	112.5
729	C	31.2	Very low	30.7	Very low	117 Å²	117	129.1 Å²	129.1	79%	0.791	76%	0.759	S	S	*	*			trans	-137.1	109.1	167.7	-63.2	0	0	0	0	108.1
730	H	28.6	Very low	31	Very low	171 Å²	171	126.9 Å²	126.9	79%	0.792	74%	0.739	S	S	*	*				76.2	145.3	66.7	-87.1	-74.8	0	0	0	116.5
731	T	31.3	Very low	31.4	Very low	150 Å²	150	126.3 Å²	126.3	92%	0.92	73%	0.729	S	S	*	*			trans	76.1	138.8	-170.7	72.5	0	0	0	0	114.3
732	G	30.6	Very low	31.6	Very low	77 Å²	77	123.1 Å²	123.1	79%	0.794	72%	0.72	S	S	*	*			cis	137.2	147.1	4.6	0	0	0	0	0	109.4
733	S	31.7	Very low	32	Very low	129 Å²	129	124.1 Å²	124.1	90%	0.902	72%	0.723	S	S	*	*			cis	-165	156.4	-0.1	-177.4	0	0	0	0	111
734	G	36.1	Very low	32.1	Very low	61 Å²	61	123.5 Å²	123.5	63%	0.629	72%	0.724	S	S	*	*			trans	109.3	121.4	162.6	0	0	0	0	0	116.4
735	N	34.6	Very low	32.4	Very low	147 Å²	147	121.1 Å²	121.1	79%	0.786	72%	0.723	S	S	*	*				80.2	129.4	57.1	-73.2	-10.8	0	0	0	113.1
736	R	35.2	Very low	32.4	Very low	200 Å²	200	121.6 Å²	121.6	76%	0.755	73%	0.726	S	S	*	*			cis	-161.8	154.5	10.2	-106	177.7	179.2	157	-3.6	112.3
737	D	36.2	Very low	32.7	Very low	121 Å²	121	122.9 Å²	122.9	65%	0.647	73%	0.727	S	S	*	*			trans	41.5	153.5	130	-47.5	-13.8	0	0	0	122.9
738	N	36.3	Very low	32.6	Very low	124 Å²	124	119.4 Å²	119.4	66%	0.663	72%	0.716	S	S	*	*			cis	-178.9	153.9	-18.4	-99.8	-23.9	0	0	0	113.5
739	N	36.4	Very low	33.1	Very low	113 Å²	113	121.3 Å²	121.3	60%	0.604	71%	0.713	S	S	*	*			trans	70.9	147.7	134.9	-64.7	0.2	0	0	0	125.2
740	N	35.5	Very low	33.1	Very low	59 Å²	59	124.8 Å²	124.8	32%	0.316	71%	0.71	S	S	.	*			cis	170.8	158.6	-2.5	-91.2	-34.2	0	0	0	119.9	N152 Q153	N152-N740 VanDerWaalsContact O-CG 3.31Å; N152-N740 PolarHBondContact O-ND2 2.83Å; N152-N740 PolarHBondContact O-OD1 3.48Å; Q153-N740 WeakPolarHBondContact CA-ND2 3.46Å; Q153-N740 PolarHBondContact N-ND2 3.13Å; Q153-N740 VanDerWaalsContact N-ND2 3.1Å; Q153-N740 PolarHBondContact N-OD1 2.68Å; Q153-N740 WeakPolarHBondContact O-CB 3.41Å; Q153-N740 PolarHBondContact O-ND2 3.48Å
741	N	35	Very low	33.2	Very low	82 Å²	82	122.8 Å²	122.8	44%	0.439	71%	0.705	S	S	.	*			trans	61.1	117.7	138.8	-91.3	49.2	0	0	0	131.9	Q153	Q153-N741 PolarHBondContact N-ND2 3.49Å; Q153-N741 PolarHBondContact N-OD1 3Å; Q153-N741 VanDerWaalsContact N-OD1 3.09Å
742	S	32.1	Very low	33.2	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	70%	0.704	S	S	*	*				60.6	140.6	118.4	68.7	0	0	0	0	128.1
743	T	32.1	Very low	33.1	Very low	133 Å²	133	133 Å²	133	82%	0.816	70%	0.704	S	S	*	*				158.3	159.2	126	-65	0	0	0	0	115.5
744	S	31.8	Very low	33.1	Very low	120 Å²	120	133.6 Å²	133.6	84%	0.839	70%	0.697	S	S	*	*			trans	114.7	145.9	158.8	75.9	0	0	0	0	121.3
745	A	30.7	Very low	32.6	Very low	89 Å²	89	135.5 Å²	135.5	74%	0.736	70%	0.701	S	S	*	*			trans	-178.8	156.7	170.2	0	0	0	0	0	113.9
746	N	31.6	Very low	32.6	Very low	157 Å²	157	133.9 Å²	133.9	84%	0.84	70%	0.698	S	S	*	*			trans	156.4	167.7	144.3	-84.1	-15.2	0	0	0	118.6
747	E	32.9	Very low	32.2	Very low	184 Å²	184	130.3 Å²	130.3	86%	0.86	70%	0.699	S	S	*	*			trans	75.1	155.4	161.3	-67.6	-172	-171.5	0	0	123
748	S	30.2	Very low	31.8	Very low	79 Å²	79	133.2 Å²	133.2	55%	0.552	71%	0.709	S	S	*	*			cis	-170.1	167	-35.6	66	0	0	0	0	113.5
749	H	34	Very low	31.4	Very low	141 Å²	141	134.7 Å²	134.7	65%	0.653	72%	0.715	S	S	*	*			trans	69.8	159.9	157.4	-72.4	-44.1	0	0	0	120.8
750	R	32	Very low	31	Very low	190 Å²	190	137 Å²	137	72%	0.717	72%	0.722	S	S	*	*			cis	-165.4	167.8	-4.6	-98.2	154.2	-154.7	-172.7	8.4	106.4
751	N	30.8	Very low	30.7	Very low	130 Å²	130	140.8 Å²	140.8	70%	0.695	75%	0.747	S	S	*	*			cis	-169.5	-178.2	-16.9	-101.1	16.9	0	0	0	110.3
752	Y	30.6	Very low	30.3	Very low	225 Å²	225	143.1 Å²	143.1	88%	0.882	77%	0.765	S	S	*	*			trans	85.3	160.3	164.5	-67.9	-86.2	0	0	0	121.7
753	R	28.9	Very low	30.2	Very low	215 Å²	215	144.2 Å²	144.2	81%	0.811	77%	0.767	S	S	*	*				-163.4	165.7	-75.9	-160	178.9	-170.9	-142.4	2.6	110.1
754	L	32	Very low	30.1	Very low	142 Å²	142	143.2 Å²	143.2	74%	0.743	76%	0.757	S	S	*	*			trans	89.5	149.8	164.8	-53.2	173.2	0	0	0	116.6
755	S	25.5	Very low	30	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	74%	0.74	S	S	*	*				-174.3	-173.5	-55.3	57	0	0	0	0	108.1
756	P	35.3	Very low	29.8	Very low	113 Å²	113	147.7 Å²	147.7	73%	0.734	75%	0.745	S	S	*	*			trans	-119.5	179.4	-131	34.5	-12.3	0	0	0	115.5
757	T	26.4	Very low	30	Very low	125 Å²	125	145.1 Å²	145.1	77%	0.767	72%	0.723	S	S	*	*				156.4	108.4	124.4	-63.5	0	0	0	0	111.6
758	E	27.9	Very low	30.5	Very low	182 Å²	182	141.6 Å²	141.6	85%	0.85	71%	0.705	S	S	*	*			trans	-162.9	156.2	134	-118.5	177.4	-178.4	0	0	109.7
759	I	27.1	Very low	30.3	Very low	154 Å²	154	150 Å²	150	79%	0.79	73%	0.725	S	S	*	*			trans	-120.7	112.8	-164.5	-59.3	171.5	0	0	0	109.9
760	Q	29.2	Very low	29.9	Very low	162 Å²	162	147.3 Å²	147.3	76%	0.757	72%	0.722	S	S	*	*			trans	-156.9	142.9	172.5	-112.3	147.6	70.7	0	0	114.7
761	T	29.1	Very low	29.7	Very low	138 Å²	138	143.9 Å²	143.9	85%	0.847	72%	0.718	S	S	*	*			trans	46.1	89.3	160.3	56	0	0	0	0	118.5
762	T	26.6	Very low	29.7	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	72%	0.719	S	S	*	*			trans	-141.2	166	164.8	64.3	0	0	0	0	109.3
763	V	28.7	Very low	29.6	Very low	116 Å²	116	139.6 Å²	139.6	70%	0.703	70%	0.704	S	S	*	*			cis	-126.8	134	5.6	-175.5	0	0	0	0	110	K768	V763-K768 WeakPolarHBondContact O-CE 3Å; V763-K768 PolarHBondContact O-NZ 3.43Å
764	N	31	Very low	29.6	Very low	113 Å²	113	136.2 Å²	136.2	60%	0.604	70%	0.701	S	S	*	*			trans	-134.1	147.1	-179.7	-114	62	0	0	0	113.2	K768	N764-K768 PolarHBondContact OD1-NZ 2.83Å
765	D	29.5	Very low	29.3	Very low	90 Å²	90	135 Å²	135	48%	0.481	70%	0.696	S	S	.	*	S	Bend	trans	71.7	160.7	162.3	-50.2	-43.4	0	0	0	120.6	R767	D765-R767 PolarHBondContact O-N 3.35Å
766	Y	27.5	Very low	29.4	Very low	213 Å²	213	134.3 Å²	134.3	84%	0.835	69%	0.691	S	S	*	*	S	Bend	trans	56.7	-15.5	-172.4	-66.3	-79.9	0	0	0	119.8
767	R	33.9	Very low	29	Very low	102 Å²	102	133.9 Å²	133.9	39%	0.385	69%	0.691	S	S	.	*	S	Bend	trans	-82.4	-26.3	141.1	-170.8	-102.7	164.4	78.1	6.3	112.2	D765 R769 S770 Q772 L773	D765-R767 PolarHBondContact O-N 3.35Å; R767-R769 CarbonylContact O-C 3.26Å; R767-R769 PolarHBondContact O-N 2.95Å; R767-S770 CarbonylContact O-C 3.55Å; R767-S770 PolarHBondContact O-N 3.36Å; R767-Q772 HydrophobicContact CB-CB 4.36Å; R767-Q772 HydrophobicContact CG-CB 4Å; R767-Q772 VanDerWaalsContact CG-N 3.29Å; R767-Q772 VanDerWaalsContact CG-O 3.29Å; R767-Q772 WeakPolarHBondContact CG-O 3.45Å; R767-Q772 PolarHBondContact NH1-O 2.7Å; R767-L773 VanDerWaalsContact CZ-O 3.31Å; R767-L773 PolarHBondContact NH1-O 3.33Å; R767-L773 PolarHBondContact NH2-O 2.97Å
768	K	45	Very low	29	Very low	111 Å²	111	134.9 Å²	134.9	48%	0.483	69%	0.69	S	S	.	*	S	Bend	trans	-78.5	104.8	174	-47.3	-170.3	-177	-178.3	0	105	V763 N764	V763-K768 WeakPolarHBondContact O-CE 3Å; V763-K768 PolarHBondContact O-NZ 3.43Å; N764-K768 PolarHBondContact OD1-NZ 2.83Å
769	R	26.1	Very low	28.9	Very low	255 Å²	255	133 Å²	133	96%	0.962	69%	0.686	S	S	*	*	S	Bend	cis	-122.5	7.1	30.7	-147.4	173.1	-174.5	173.1	1.4	117	R767	R767-R769 CarbonylContact O-C 3.26Å; R767-R769 PolarHBondContact O-N 2.95Å
770	S	25.5	Very low	28.8	Very low	84 Å²	84	131.8 Å²	131.8	59%	0.587	69%	0.686	S	S	*	*	S	Bend	trans	-149.8	126.1	178.6	-161.3	0	0	0	0	115.3	R767	R767-S770 CarbonylContact O-C 3.55Å; R767-S770 PolarHBondContact O-N 3.36Å
771	N	26.4	Very low	28.7	Very low	119 Å²	119	132.3 Å²	132.3	64%	0.636	69%	0.688	S	S	*	*			trans	63.1	78.2	153.7	-60.5	-7.7	0	0	0	123.4
772	Q	32.2	Very low	28.4	Very low	155 Å²	155	134.9 Å²	134.9	72%	0.724	69%	0.693	S	S	*	*	S	Bend	trans	-164.7	104.3	152.4	-75.8	-163.6	-18.6	0	0	111.2	R767	R767-Q772 HydrophobicContact CB-CB 4.36Å; R767-Q772 HydrophobicContact CG-CB 4Å; R767-Q772 VanDerWaalsContact CG-N 3.29Å; R767-Q772 VanDerWaalsContact CG-O 3.29Å; R767-Q772 WeakPolarHBondContact CG-O 3.45Å; R767-Q772 PolarHBondContact NH1-O 2.7Å
773	L	28.3	Very low	28.3	Very low	110 Å²	110	133.2 Å²	133.2	58%	0.576	69%	0.686	S	S	*	*			cis	-74.6	176.7	-3.5	-42.4	85.2	0	0	0	111.2	R767	R767-L773 VanDerWaalsContact CZ-O 3.31Å; R767-L773 PolarHBondContact NH1-O 3.33Å; R767-L773 PolarHBondContact NH2-O 2.97Å
774	L	27.8	Very low	28.3	Very low	143 Å²	143	134.5 Å²	134.5	75%	0.749	69%	0.689	S	S	*	*	S	Bend	cis	-56.7	151.1	4.7	-100.4	64	0	0	0	113.9
775	D	26.6	Very low	28.1	Very low	118 Å²	118	134.2 Å²	134.2	63%	0.631	69%	0.691	S	S	*	*			trans	54	101.7	159.3	-44.7	-27.3	0	0	0	115.8
776	S	26.8	Very low	28.1	Very low	86 Å²	86	137.3 Å²	137.3	60%	0.601	71%	0.708	S	S	*	*			cis	50.2	52.5	22.9	81.8	0	0	0	0	113.8	I778	S776-I778 PolarHBondContact O-N 3.36Å; S776-I778 VanDerWaalsContact O-N 3.14Å
777	S	27.2	Very low	28.1	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	70%	0.703	S	S	*	*			trans	-50.2	114.3	168.7	-46.5	0	0	0	0	111.9
778	I	26.6	Very low	28	Very low	145 Å²	145	136.1 Å²	136.1	74%	0.744	72%	0.722	S	S	*	*	S	Bend	trans	43.5	88.9	138.9	-48.5	169.2	0	0	0	115	S776	S776-I778 PolarHBondContact O-N 3.36Å; S776-I778 VanDerWaalsContact O-N 3.14Å
779	N	25.6	Very low	27.2	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	74%	0.735	S	S	*	*				-180	154.2	117.2	-96.6	-46.2	0	0	0	115
780	T	25.7	Very low	27.5	Very low	129 Å²	129	131.2 Å²	131.2	79%	0.791	72%	0.724	S	S	*	*			trans	68	123	164.3	17.9	0	0	0	0	119.4
781	Q	25.8	Very low	27.5	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	73%	0.733	S	S	*	*			trans	60.8	115.8	168.8	-61.2	-179	-7.5	0	0	115.4
782	M	23.9	Very low	27.7	Very low	191 Å²	191	135.5 Å²	135.5	94%	0.941	74%	0.74	S	S	*	*			cis	60.9	58	11.8	-162.5	120.2	81.6	0	0	115.2
783	S	24.6	Very low	27.7	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	75%	0.745	S	S	*	*			trans	-176.2	127	157.7	-164.5	0	0	0	0	105.6
784	L	28.1	Very low	27.8	Very low	143 Å²	143	139.9 Å²	139.9	75%	0.749	76%	0.758	S	S	*	*			cis	-133	161.9	13.8	-72.1	86.2	0	0	0	112.6
785	T	26.1	Very low	27.9	Very low	107 Å²	107	140.2 Å²	140.2	66%	0.656	76%	0.761	S	S	*	*			trans	36.9	110.6	144.8	59.5	0	0	0	0	120.4
786	N	31	Very low	28.2	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	77%	0.767	S	S	*	*				-164.7	140.9	94.9	-90	-17	0	0	0	110.6
787	D	27.5	Very low	28.4	Very low	139 Å²	139	146.5 Å²	146.5	74%	0.743	78%	0.777	S	S	*	*			trans	-69.4	153.9	-178.6	-51.6	-89.6	0	0	0	111.5
788	I	30.5	Very low	28.4	Very low	150 Å²	150	147.6 Å²	147.6	77%	0.769	78%	0.779	S	S	*	*				-163.9	126.3	79.2	-88.6	163.3	0	0	0	107
789	L	29.7	Very low	28.6	Very low	145 Å²	145	145.4 Å²	145.4	76%	0.759	77%	0.774	S	S	*	*				60	126.9	101	-116.8	63.1	0	0	0	113.9
790	T	31.7	Very low	28.5	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.724	77%	0.77	S	S	*	*			cis	-156.5	157.9	5.9	-17.4	0	0	0	0	112.3
791	N	26.1	Very low	28.6	Very low	145 Å²	145	144 Å²	144	78%	0.775	77%	0.767	S	S	*	*			trans	-89.7	178.2	155.2	-115.3	-46.9	0	0	0	110.3
792	N	29.9	Very low	28.6	Very low	149 Å²	149	142 Å²	142	80%	0.797	76%	0.758	S	S	*	*			trans	78.8	145.8	-167.5	-44.2	-62.9	0	0	0	112.1
793	I	32.5	Very low	28.9	Very low	161 Å²	161	140.5 Å²	140.5	83%	0.826	75%	0.748	S	S	*	*			cis	-126	154.6	21.7	-69.8	171.1	0	0	0	112.3
794	K	29.3	Very low	28.8	Very low	195 Å²	195	145.6 Å²	145.6	85%	0.848	76%	0.759	S	S	*	*			trans	-55.1	145.2	175.7	-57.9	160.3	-177	169	0	112.5
795	N	31	Very low	28.6	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	76%	0.758	S	S	*	*			trans	-131.5	129.6	156.3	-115.1	-25.4	0	0	0	111.7
796	I	33.6	Very low	28.5	Very low	150 Å²	150	143.7 Å²	143.7	77%	0.769	76%	0.758	S	S	*	*			trans	55.8	94.6	155.5	-52.2	173.6	0	0	0	117.7
797	K	29.3	Very low	28.3	Very low	185 Å²	185	144 Å²	144	80%	0.804	75%	0.754	S	S	*	*			trans	5.3	126.5	133.7	-78.3	-178.5	173.6	-179.7	0	117.7
798	V	27.7	Very low	28.2	Very low	128 Å²	128	143.3 Å²	143.3	78%	0.776	75%	0.75	S	S	*	*				73.1	131.5	72	155.9	0	0	0	0	112.6
799	P	30.5	Very low	28.1	Very low	99 Å²	99	141.9 Å²	141.9	64%	0.643	74%	0.743	S	S	*	*			cis	-149.3	-161.5	-13.8	40.5	-19.1	0	0	0	115.9
800	C	25.2	Very low	28	Very low	99 Å²	99	144.2 Å²	144.2	67%	0.669	74%	0.743	S	S	*	*			trans	79.8	118.5	142.7	-80.8	0	0	0	0	118.5
801	I	27.4	Very low	27.9	Very low	144 Å²	144	146.4 Å²	146.4	74%	0.738	74%	0.742	S	S	*	*				85	141.3	90.2	-78.6	178.9	0	0	0	111.1
802	Q	26.3	Very low	28.1	Very low	132 Å²	132	145.9 Å²	145.9	62%	0.617	74%	0.74	S	S	*	*			cis	-176.3	168.4	-15.1	-173	169	-63.4	0	0	106.2
803	Q	28.2	Very low	28.1	Very low	158 Å²	158	142.9 Å²	142.9	74%	0.738	73%	0.73	S	S	*	*			trans	62.1	128.5	162.4	-84.7	141.4	-32.7	0	0	119.7
804	F	22.8	Very low	28	Very low	203 Å²	203	143.2 Å²	143.2	89%	0.89	73%	0.728	S	S	*	*			trans	-63.2	135.5	145.2	-72.3	-107.1	0	0	0	109.2
805	S	24.5	Very low	27.9	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	72%	0.721	S	S	*	*			trans	-174.1	137.3	132.5	-100.1	0	0	0	0	113
806	T	24.8	Very low	28.2	Very low	106 Å²	106	136.5 Å²	136.5	65%	0.65	72%	0.715	S	S	*	*			trans	41.3	135.3	143.6	61.7	0	0	0	0	121.7
807	Q	25.7	Very low	27.8	Very low	162 Å²	162	136 Å²	136	76%	0.757	71%	0.714	S	S	*	*			trans	65	122.7	135.6	-72.9	172.6	-4.2	0	0	117
808	N	26.4	Very low	27.7	Very low	124 Å²	124	133.4 Å²	133.4	66%	0.663	71%	0.708	S	S	*	*			cis	-167.6	152.2	47.4	-98.5	-34.4	0	0	0	114.1
809	I	27.2	Very low	27.6	Very low	120 Å²	120	135 Å²	135	62%	0.615	71%	0.707	S	S	*	*			trans	36.8	103.5	131.8	-40.5	161.7	0	0	0	118.3
810	Y	27.4	Very low	27.4	Very low	194 Å²	194	138 Å²	138	76%	0.761	72%	0.716	S	S	*	*				175.5	131.3	101.8	-98	-55.7	0	0	0	113.3
811	K	30.3	Very low	27.7	Very low	164 Å²	164	137.2 Å²	137.2	71%	0.713	71%	0.711	S	S	*	*			trans	62	140	147.9	-64.6	175.2	176.2	173.6	0	118.9
812	D	30.9	Very low	28	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	71%	0.714	S	S	*	*			cis	-156.3	166.1	-4.5	-111.2	-25.5	0	0	0	111.8
813	S	29.4	Very low	28.1	Very low	85 Å²	85	137 Å²	137	59%	0.594	72%	0.723	S	S	*	*			trans	9.1	150.7	154.1	59.2	0	0	0	0	121.6
814	H	30.9	Very low	28.1	Very low	169 Å²	169	134.7 Å²	134.7	78%	0.782	72%	0.724	S	S	*	*			cis	-168.5	139.6	-9.2	-93.3	-46.3	0	0	0	104.5
815	S	27	Very low	28.6	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	71%	0.714	S	S	*	*				68	147.8	64.7	82.3	0	0	0	0	114.3
816	P	35.9	Very low	29	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	72%	0.718	S	S	*	*				-131.7	-164.6	-129.3	45.3	-32	0	0	0	116.1
817	N	26.6	Very low	29.4	Very low	139 Å²	139	133.4 Å²	133.4	74%	0.743	73%	0.727	S	S	*	*			trans	82.5	139	150.8	-86	-14.1	0	0	0	121.7
818	L	26.6	Very low	29.8	Very low	131 Å²	131	128.8 Å²	128.8	69%	0.686	72%	0.723	S	S	*	*			trans	62.3	125.4	141.6	-94.2	74.8	0	0	0	123.3
819	Q	25.3	Very low	30.2	Very low	162 Å²	162	127.8 Å²	127.8	76%	0.757	73%	0.726	S	S	*	*				87.6	155.1	126.8	-90.1	-175.9	-9.7	0	0	123.4
820	I	27.3	Very low	30.2	Very low	162 Å²	162	129.9 Å²	129.9	83%	0.831	74%	0.738	S	S	*	*			trans	83.3	141.2	164	-64.9	144.2	0	0	0	117.1
821	S	31.6	Very low	30.5	Very low	81 Å²	81	125.1 Å²	125.1	57%	0.566	73%	0.731	S	S	*	*			trans	-124.7	162.4	-170.5	53	0	0	0	0	111.4
822	P	33.4	Very low	30.5	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	74%	0.735	S	S	*	*			trans	-99.5	141	139.5	33.7	-26.9	0	0	0	109.7
823	N	27.3	Very low	30.2	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	74%	0.738	S	S	*	*			cis	72.7	77	33.9	-71.2	-5.1	0	0	0	116.4
824	S	29.2	Very low	29.9	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	75%	0.746	S	S	*	*			trans	-174.1	145.4	147.7	57.3	0	0	0	0	108
825	S	32.3	Very low	29.6	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	74%	0.742	S	S	*	*			cis	-144.5	138.6	-5.1	-34	0	0	0	0	106.2
826	I	32.8	Very low	29.5	Very low	159 Å²	159	128.8 Å²	128.8	82%	0.815	75%	0.747	S	S	*	*				60.7	133.8	71.3	-57.7	168	0	0	0	112.3
827	P	33.2	Very low	29	Very low	129 Å²	129	132.3 Å²	132.3	84%	0.838	75%	0.752	S	S	*	*			cis	-125	-168.4	-7	39.5	-22.7	0	0	0	113.9
828	G	34.1	Very low	29.1	Very low	65 Å²	65	133 Å²	133	67%	0.67	75%	0.752	S	S	*	*			trans	143.2	49.2	166.8	0	0	0	0	0	115.6
829	S	35.7	Very low	29.2	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	75%	0.753	S	S	*	*				64.6	105.3	109.6	66.1	0	0	0	0	116.1
830	L	27.7	Very low	29.4	Very low	164 Å²	164	130.3 Å²	130.3	86%	0.859	75%	0.748	S	S	*	*				89.5	153.4	78.8	-111	81.7	0	0	0	113.5
831	P	32	Very low	29.6	Very low	94 Å²	94	129.4 Å²	129.4	61%	0.61	74%	0.744	S	S	*	*				-123.7	-106.1	-87.9	38.1	-21.6	0	0	0	113.1
832	F	30.9	Very low	29.6	Very low	185 Å²	185	131.3 Å²	131.3	81%	0.811	75%	0.748	S	S	*	*			trans	67.6	127.4	-175.3	-53.3	-74.7	0	0	0	114.3
833	M	24.5	Very low	29.7	Very low	158 Å²	158	133.6 Å²	133.6	78%	0.778	75%	0.745	S	S	*	*			cis	68	118.2	8.5	-108.9	-164.5	148	0	0	118
834	M	23.5	Very low	29.8	Very low	156 Å²	156	132.9 Å²	132.9	77%	0.768	74%	0.737	S	S	*	*			trans	69.7	149.2	160.4	-101.3	58.1	171.5	0	0	120.2
835	S	23.8	Very low	29.8	Very low	99 Å²	99	133.6 Å²	133.6	69%	0.692	73%	0.728	S	S	*	*			trans	53.7	116.7	157.3	45.9	0	0	0	0	118.8
836	T	26.2	Very low	29.8	Very low	129 Å²	129	136 Å²	136	79%	0.791	73%	0.726	S	S	*	*				67	109.4	68.7	-56.8	0	0	0	0	113.5
837	F	25.4	Very low	29.5	Very low	181 Å²	181	134.3 Å²	134.3	79%	0.794	72%	0.718	S	S	*	*			trans	-161.8	140.4	146.4	-96.3	-59.1	0	0	0	111.2
838	M	28.2	Very low	29.3	Very low	153 Å²	153	135.7 Å²	135.7	75%	0.754	72%	0.719	S	S	*	*			trans	37.8	140.4	156.1	-45.4	-41.5	-167.2	0	0	120.5
839	T	29.5	Very low	28.9	Very low	113 Å²	113	135.4 Å²	135.4	69%	0.693	72%	0.716	S	S	*	*			cis	-163.4	155.6	-9.7	17.4	0	0	0	0	104.5
840	D	29.8	Very low	28.5	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	72%	0.723	S	S	*	*			cis	-158.3	158.5	17.1	-125.1	-33.5	0	0	0	110.4
841	L	31.6	Very low	28.6	Very low	143 Å²	143	137.6 Å²	137.6	75%	0.749	72%	0.718	S	S	*	*			trans	56	141.8	152.7	-58.3	173.3	0	0	0	121
842	L	31.5	Very low	28.5	Very low	121 Å²	121	138 Å²	138	63%	0.634	72%	0.721	S	S	*	*			cis	-173.1	124.5	-12.9	-176.5	69.7	0	0	0	111.4
843	K	33.8	Very low	28.2	Very low	169 Å²	169	138.1 Å²	138.1	74%	0.735	72%	0.721	S	S	*	*			trans	63.2	161.4	161.4	-64.3	168.3	-174.9	172	0	117.1
844	H	30.6	Very low	28.8	Very low	136 Å²	136	138.5 Å²	138.5	63%	0.63	72%	0.723	S	S	*	*			cis	-151	166.3	-10.1	-132.3	-141.3	0	0	0	110.5
845	E	29.7	Very low	29	Very low	125 Å²	125	136.4 Å²	136.4	58%	0.584	72%	0.721	S	S	*	*			trans	19.2	149.2	138.3	-65	-175.5	147.4	0	0	121.8
846	K	31.2	Very low	29.1	Very low	148 Å²	148	139.4 Å²	139.4	64%	0.643	72%	0.724	S	S	*	*			cis	-161	143.7	5.3	-123.6	163.1	176.6	156.4	0	112.7
847	D	27.7	Very low	29.1	Very low	123 Å²	123	138.1 Å²	138.1	66%	0.658	72%	0.72	S	S	*	*				34.2	143.1	128.3	-54.5	-14.8	0	0	0	123.2
848	D	27	Very low	29.1	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	72%	0.72	S	S	*	*			trans	59.4	149.9	152.1	-60.4	-25.8	0	0	0	120.8
849	G	27.3	Very low	29	Very low	59 Å²	59	138.4 Å²	138.4	61%	0.608	72%	0.716	S	S	*	*			cis	164	149.7	-8.8	0	0	0	0	0	113.3
850	I	27.2	Very low	28.9	Very low	172 Å²	172	139.2 Å²	139.2	88%	0.882	72%	0.716	S	S	*	*			trans	67.7	144	149.2	-58.6	165.4	0	0	0	118.9
851	L	28.4	Very low	28.8	Very low	141 Å²	141	138.8 Å²	138.8	74%	0.738	72%	0.718	S	S	*	*			trans	-57.9	152.6	171.6	-129.9	76.5	0	0	0	111.8
852	P	29.9	Very low	28.6	Very low	104 Å²	104	139.1 Å²	139.1	68%	0.675	72%	0.72	S	S	*	*				-160.3	158	83.9	40.4	-20.1	0	0	0	119.6
853	K	25.2	Very low	28.6	Very low	186 Å²	186	137.5 Å²	137.5	81%	0.809	71%	0.714	S	S	*	*			trans	48.8	127.9	132.8	-59.9	170.7	-176.5	172.5	0	122.6
854	M	36.9	Very low	28.5	Very low	166 Å²	166	135.7 Å²	135.7	82%	0.818	71%	0.713	S	S	*	*			trans	-46.6	147.1	143.6	-95.9	-87	170.3	0	0	112.6
855	P	27.9	Very low	28.6	Very low	112 Å²	112	136.7 Å²	136.7	73%	0.727	72%	0.715	S	S	*	*				-132.8	154.7	87.6	42	-32.1	0	0	0	111.6
856	E	26.2	Very low	28.8	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	73%	0.727	S	S	*	*			cis	67.2	127.8	47.3	-162.8	179.8	-117.3	0	0	114.2
857	S	25.8	Very low	28.8	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	73%	0.731	S	S	*	*			trans	70.8	153.3	172.3	96.3	0	0	0	0	115.2
858	R	25.6	Very low	29	Very low	211 Å²	211	139.4 Å²	139.4	80%	0.796	73%	0.732	S	S	*	*			cis	-169.5	164.2	-15.5	-120.2	175.1	-168.6	176.2	3.3	108.2
859	I	27	Very low	29.3	Very low	129 Å²	129	137.8 Å²	137.8	66%	0.662	73%	0.728	S	S	*	*			trans	72.6	137	142.6	-76	169.3	0	0	0	118.3
860	N	27.6	Very low	29.5	Very low	131 Å²	131	142.3 Å²	142.3	70%	0.701	73%	0.733	S	S	*	*			trans	76.2	113.7	154.6	-77.7	8.5	0	0	0	120.2
861	T	26.8	Very low	29.7	Very low	115 Å²	115	141 Å²	141	71%	0.706	73%	0.725	S	S	*	*				78.9	143.6	72.8	61.4	0	0	0	0	113.2
862	L	27.7	Very low	30.1	Very low	151 Å²	151	139.2 Å²	139.2	79%	0.791	72%	0.724	S	S	*	*			cis	-175.9	-170	0.5	167.1	72.7	0	0	0	106.7
863	V	31.3	Very low	30.2	Very low	86 Å²	86	140.2 Å²	140.2	52%	0.521	72%	0.724	S	S	.	*			trans	81.3	116.2	158.6	-163.4	0	0	0	0	113.4	K865	V863-K865 HydrophobicContact CG1-CD 4.32Å; V863-K865 HydrophobicContact CG1-CG 4.07Å
864	N	31.5	Very low	30.7	Very low	131 Å²	131	136.5 Å²	136.5	70%	0.701	72%	0.718	S	S	*	*				-132.9	133.2	55.7	-82.5	-82.8	0	0	0	112.4
865	K	33.2	Very low	30.6	Very low	157 Å²	157	136.4 Å²	136.4	68%	0.683	72%	0.716	S	S	*	*				62.8	136.7	85.9	-61.8	-177.6	-167.4	167.5	0	113	V863	V863-K865 HydrophobicContact CG1-CD 4.32Å; V863-K865 HydrophobicContact CG1-CG 4.07Å
866	R	33.7	Very low	30.9	Very low	219 Å²	219	136.7 Å²	136.7	83%	0.826	71%	0.711	S	S	*	*			cis	-125.4	142.3	22.7	-67.3	174.9	169.9	100.3	-6.1	111.2
867	N	32	Very low	31.2	Very low	137 Å²	137	137 Å²	137	73%	0.733	71%	0.71	S	S	*	*				60.7	139.7	101.9	-46.1	9.8	0	0	0	113.5
868	S	31.4	Very low	31.5	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	71%	0.71	S	S	*	*			cis	-164.6	151.9	29.6	-149.2	0	0	0	0	113.2
869	V	32.4	Very low	31.9	Very low	125 Å²	125	135.7 Å²	135.7	76%	0.758	71%	0.711	S	S	*	*			trans	59.6	134.3	143.8	166.1	0	0	0	0	118.5
870	H	32	Very low	32	Very low	153 Å²	153	135.4 Å²	135.4	71%	0.708	72%	0.719	S	S	*	*			cis	-151.4	161.6	6.2	-136.8	-148.8	0	0	0	112.4
871	M	32.1	Very low	32.3	Very low	146 Å²	146	135.3 Å²	135.3	72%	0.719	73%	0.726	S	S	*	*			trans	9.5	150.3	134.5	-56.8	-58.6	134.5	0	0	120
872	S	35.5	Very low	32.6	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	73%	0.728	S	S	*	*			cis	-173.4	-177.9	-4.8	49.2	0	0	0	0	107.5
873	N	32.4	Very low	32.8	Very low	124 Å²	124	133.9 Å²	133.9	66%	0.663	72%	0.715	S	S	*	*			cis	-153.5	159.5	4.5	-159	71.5	0	0	0	108.8
874	P	36.6	Very low	32.8	Very low	108 Å²	108	134.6 Å²	134.6	70%	0.701	71%	0.712	S	S	*	*			trans	-88.7	-177.3	169.2	37.5	-37.7	0	0	0	113.3
875	E	33.5	Very low	32.9	Very low	165 Å²	165	137.4 Å²	137.4	77%	0.771	72%	0.718	S	S	*	*			trans	145.5	147.8	159.9	-81.2	-178.2	-154.4	0	0	108.5
876	L	33.7	Very low	32.9	Very low	117 Å²	117	135.6 Å²	135.6	61%	0.613	72%	0.72	S	S	*	*			cis	-159.5	166.4	-9.5	-111.4	170.8	0	0	0	110.7
877	F	33.1	Very low	32.9	Very low	169 Å²	169	129.6 Å²	129.6	74%	0.741	71%	0.712	S	S	*	*			trans	40.3	119.6	165.1	-57.9	-58.8	0	0	0	120
878	N	32.7	Very low	32.9	Very low	135 Å²	135	130.1 Å²	130.1	72%	0.722	71%	0.714	S	S	*	*				73.9	139.8	67	-78.9	11.9	0	0	0	116.7
879	D	33.2	Very low	33.1	Very low	150 Å²	150	135.8 Å²	135.8	80%	0.802	72%	0.721	S	S	*	*			trans	70	121.1	159.7	-53.4	-34.8	0	0	0	120.6
880	C	29.6	Very low	33.2	Very low	124 Å²	124	138.1 Å²	138.1	84%	0.838	72%	0.721	S	S	*	*			trans	-84.6	158.6	168	-51	0	0	0	0	111
881	P	34.5	Very low	33.3	Very low	129 Å²	129	135.9 Å²	135.9	84%	0.838	72%	0.718	S	S	*	*				-146.9	-166.7	104.6	38.1	-21.2	0	0	0	114.8
882	N	31.9	Very low	33.5	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	72%	0.716	S	S	*	*			trans	-88.7	162.9	-163.2	-62.5	-2.8	0	0	0	117.5
883	D	31.7	Very low	33.5	Very low	96 Å²	96	138.6 Å²	138.6	51%	0.513	72%	0.719	S	S	.	*			trans	83.3	130.2	135.7	-74.6	-32.8	0	0	0	123.7
884	H	32.5	Very low	33.7	Very low	101 Å²	101	139.4 Å²	139.4	47%	0.468	72%	0.722	S	S	.	*			trans	99.8	146.6	142.4	-76	-39.6	0	0	0	124.8	Q256 L257	Q256-H884 WeakPolarHBondContact CB-CE1 3.19Å; Q256-H884 WeakPolarHBondContact CG-CE1 3.46Å; Q256-H884 PolarHBondContact NE2-CE1 2.88Å; Q256-H884 PolarHBondContact NE2-NE2 3.08Å; Q256-H884 PolarHBondContact OE1-NE2 3.42Å; L257-H884 PolarHBondContact O-CE1 2.93Å
885	K	34.3	Very low	33.6	Very low	189 Å²	189	139.1 Å²	139.1	82%	0.822	72%	0.722	S	S	*	*			trans	75.6	153.2	164.3	-70.3	164.1	-175.9	173.3	0	117.9
886	T	31.7	Very low	33.7	Very low	119 Å²	119	141.6 Å²	141.6	73%	0.73	73%	0.725	S	S	*	*			cis	-173.2	151.2	-48.1	21.3	0	0	0	0	109.3
887	S	33.4	Very low	33.8	Very low	94 Å²	94	142.8 Å²	142.8	66%	0.657	73%	0.727	S	S	*	*			trans	56.6	123	150.7	62.2	0	0	0	0	122.9
888	D	33	Very low	34	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	73%	0.725	S	S	*	*				53.8	129	129.7	-47.2	-20.8	0	0	0	123.5
889	R	35.9	Very low	34.1	Very low	217 Å²	217	140 Å²	140	82%	0.819	73%	0.73	S	S	*	*				172.7	131.4	102.7	-94.4	172.4	174	-171.7	0	116
890	K	34.2	Very low	34.3	Very low	174 Å²	174	139.9 Å²	139.9	76%	0.757	73%	0.725	S	S	*	*			trans	59.2	171.2	142.9	-57.8	-175.8	176.7	-172.8	0	117.3
891	T	34.6	Very low	34.5	Very low	107 Å²	107	139.3 Å²	139.3	66%	0.656	72%	0.717	S	S	*	*			cis	-154	130.2	11.2	-4.6	0	0	0	0	107.8
892	N	35	Very low	34.6	Very low	124 Å²	124	138.8 Å²	138.8	66%	0.663	71%	0.711	S	S	*	*				89	162.6	91.6	-79.6	21.3	0	0	0	117.4
893	F	35.1	Very low	34.5	Very low	182 Å²	182	139 Å²	139	80%	0.798	71%	0.712	S	S	*	*			trans	81.1	112	179.2	-53.5	-77.7	0	0	0	115.4
894	I	37.1	Very low	34.9	Very low	141 Å²	141	139.3 Å²	139.3	72%	0.723	72%	0.72	S	S	*	*			cis	88.9	132.1	30.4	-56.1	163.3	0	0	0	111.8
895	S	35.4	Very low	34.7	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	74%	0.74	S	S	*	*			cis	-115.8	-135.1	10.2	-147.5	0	0	0	0	113.2
896	R	35.7	Very low	34.7	Very low	217 Å²	217	134.6 Å²	134.6	82%	0.819	73%	0.732	S	S	*	*			cis	-149.2	170.6	6.8	-163.6	159.6	-172.4	-174.7	0.2	113.5
897	E	35.3	Very low	34.8	Very low	142 Å²	142	135.8 Å²	135.8	66%	0.664	73%	0.732	S	S	*	*			trans	-72.2	162.2	-176.2	-54.3	101.9	164.2	0	0	116
898	G	37.1	Very low	34.6	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	74%	0.741	S	S	*	*			cis	166	-171.7	-6.6	0	0	0	0	0	115
899	E	35.8	Very low	34.6	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	73%	0.732	S	S	*	*			trans	65.4	147.9	163.7	-53.8	-167.9	164.2	0	0	118.2
900	H	35.8	Very low	34.4	Very low	147 Å²	147	134.4 Å²	134.4	68%	0.681	73%	0.731	S	S	*	*			cis	-155.2	148.5	-0.7	-136.2	-147.2	0	0	0	111.9
901	V	34.1	Very low	34.2	Very low	111 Å²	111	130 Å²	130	67%	0.673	72%	0.722	S	S	*	*				43.4	134.2	123.9	167.5	0	0	0	0	119.8
902	V	36.5	Very low	34	Very low	118 Å²	118	134.3 Å²	134.3	72%	0.715	73%	0.732	S	S	*	*			cis	-167	142.7	-1.5	102.4	0	0	0	0	113.5
903	N	31.4	Very low	33.9	Very low	146 Å²	146	133.7 Å²	133.7	78%	0.781	74%	0.737	S	S	*	*			trans	49	171.4	135.8	-100.4	-5.1	0	0	0	123.6
904	P	38.2	Very low	33.7	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	74%	0.741	S	S	*	*			trans	-142.1	-167.1	-131.8	45	-23.7	0	0	0	118.2
905	S	29.7	Very low	33.5	Very low	127 Å²	127	133.5 Å²	133.5	89%	0.888	75%	0.746	S	S	*	*			trans	92.4	143.5	154.6	81.7	0	0	0	0	119.6
906	G	33.5	Very low	33.4	Very low	64 Å²	64	136.2 Å²	136.2	66%	0.66	75%	0.752	S	S	*	*			trans	153.3	81.3	-173.1	0	0	0	0	0	111.4
907	I	33.4	Very low	33.4	Very low	143 Å²	143	131.8 Å²	131.8	73%	0.733	76%	0.755	S	S	*	*				82.3	106.5	89	-70.5	171.3	0	0	0	114.1
908	K	30.7	Very low	33.4	Very low	193 Å²	193	127.8 Å²	127.8	84%	0.839	75%	0.751	S	S	*	*			trans	64.2	162.5	151.8	-66.1	169.7	-165.4	167.9	0	116.8
909	S	32.4	Very low	33.3	Very low	87 Å²	87	130.5 Å²	130.5	61%	0.608	76%	0.76	S	S	*	*			cis	-164.9	169.6	-21.9	49.8	0	0	0	0	109.7
910	N	31.5	Very low	33.4	Very low	150 Å²	150	131.9 Å²	131.9	80%	0.802	76%	0.763	S	S	*	*			trans	67.3	159.5	161.4	-62	-22.9	0	0	0	117.8
911	S	30.7	Very low	33.6	Very low	81 Å²	81	133.6 Å²	133.6	57%	0.566	77%	0.772	S	S	*	*			cis	-168.1	148.8	-32.1	62.3	0	0	0	0	110.8
912	K	30.2	Very low	33.8	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.857	78%	0.78	S	S	*	*			trans	66.5	153.9	164.5	-60.5	161.8	-176.9	171	0	115
913	S	31.8	Very low	33.9	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	78%	0.775	S	S	*	*			cis	-158.4	154.4	-10.3	33.8	0	0	0	0	112.7
914	K	30.8	Very low	34.3	Very low	202 Å²	202	136.2 Å²	136.2	88%	0.878	77%	0.771	S	S	*	*			trans	-2.3	142.9	159.5	-67.2	173.1	179.5	175.2	0	118.5
915	S	32.6	Very low	34.5	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	77%	0.771	S	S	*	*				-153.7	177	60.5	54.8	0	0	0	0	117
916	N	33.2	Very low	35.1	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	75%	0.753	S	S	*	*			trans	-95.6	175.4	-170.2	-62	-16.5	0	0	0	112.5
917	S	36.3	Very low	35.5	Very low	124 Å²	124	137.1 Å²	137.1	87%	0.867	76%	0.758	S	S	*	*			cis	-163.1	-163.6	33	71.4	0	0	0	0	111.9
918	G	34.9	Very low	35.8	Very low	58 Å²	58	137 Å²	137	60%	0.598	76%	0.757	S	S	*	*			cis	-174.5	-15.4	10.2	0	0	0	0	0	120.4
919	S	35.7	Very low	36	Very low	124 Å²	124	135 Å²	135	87%	0.867	76%	0.756	S	S	*	*			trans	71.7	165.6	175.7	80.9	0	0	0	0	119.7
920	K	37.9	Very low	36.1	Very low	209 Å²	209	137.9 Å²	137.9	91%	0.909	76%	0.763	S	S	*	*			trans	-144.1	160.8	175.3	-86.7	-170.7	177.5	179.7	0	112.2
921	Q	40.6	Very low	36.1	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	76%	0.764	S	S	*	*			trans	-122	162.4	178.9	-68.5	177	-21	0	0	112.1
922	F	36.7	Very low	36	Very low	193 Å²	193	143.2 Å²	143.2	85%	0.846	78%	0.78	S	S	*	*			trans	-83.2	152.3	-174.8	-75	-91.9	0	0	0	114.4
923	T	40.1	Very low	36.1	Very low	100 Å²	100	142.4 Å²	142.4	61%	0.613	78%	0.784	S	S	*	*			trans	-134.9	173.9	179.5	-53.3	0	0	0	0	109.8	S925 S926	T923-S925 PolarHBondContact O-N 2.81Å; T923-S926 PolarHBondContact O-N 2.87Å
924	I	39.7	Very low	36	Very low	137 Å²	137	142.9 Å²	142.9	70%	0.703	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-53.5	-16.3	-171.2	-67.6	170.4	0	0	0	115.3	S926 L927	I924-S926 PolarHBondContact O-N 3.16Å; I924-L927 PolarHBondContact O-N 2.79Å
925	S	41.6	Very low	36.2	Very low	93 Å²	93	138.6 Å²	138.6	65%	0.65	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-52	-19	174.1	-44	0	0	0	0	115.2	T923 L927	T923-S925 PolarHBondContact O-N 2.81Å; S925-L927 PolarHBondContact O-N 2.72Å; S925-L927 VanDerWaalsContact O-N 3.12Å
926	S	42.9	Very low	36.1	Very low	73 Å²	73	141.2 Å²	141.2	51%	0.51	78%	0.782	S	S	.	*	G	3₁₀ helix	trans	-70.6	3.9	178.8	-57.9	0	0	0	0	115.9	T923 I924	T923-S926 PolarHBondContact O-N 2.87Å; I924-S926 PolarHBondContact O-N 3.16Å
927	L	42	Very low	36	Very low	146 Å²	146	140.6 Å²	140.6	76%	0.764	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-110.7	11.5	-178.8	-71.4	173.4	0	0	0	114.7	I924 S925	I924-L927 PolarHBondContact O-N 2.79Å; S925-L927 PolarHBondContact O-N 2.72Å; S925-L927 VanDerWaalsContact O-N 3.12Å
928	L	39.4	Very low	35.8	Very low	139 Å²	139	144.2 Å²	144.2	73%	0.728	78%	0.779	S	S	*	*			trans	-115.4	13.6	177.5	-68.3	175.1	0	0	0	114	I930	L928-I930 VanDerWaalsContact C-N 3.35Å; L928-I930 PolarHBondContact O-N 3.24Å
929	N	33.9	Very low	35.6	Very low	153 Å²	153	145.1 Å²	145.1	82%	0.818	78%	0.781	S	S	*	*			trans	-90.1	68.7	174.6	-77.5	22.4	0	0	0	111.7
930	I	35.3	Very low	35.5	Very low	147 Å²	147	144.6 Å²	144.6	75%	0.754	78%	0.777	S	S	*	*			trans	-142.5	121.4	161.5	-39.7	177.7	0	0	0	102.4	L928	L928-I930 VanDerWaalsContact C-N 3.35Å; L928-I930 PolarHBondContact O-N 3.24Å
931	E	30.9	Very low	35	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	77%	0.768	S	S	*	*			cis	-135	145.2	39.3	-63.6	157.7	154.8	0	0	112.4
932	N	29.6	Very low	34.6	Very low	166 Å²	166	135 Å²	135	89%	0.888	76%	0.762	S	S	*	*			trans	179.7	83.3	158.9	-107.1	-21.6	0	0	0	110.4
933	L	32.3	Very low	34.3	Very low	181 Å²	181	131.7 Å²	131.7	95%	0.948	76%	0.758	S	S	*	*			trans	-169.8	85.4	170.3	-116.5	160.8	0	0	0	114.7
934	S	29.6	Very low	33.8	Very low	121 Å²	121	133.9 Å²	133.9	85%	0.846	76%	0.761	S	S	*	*			trans	-173	145.3	148.8	55.6	0	0	0	0	108.6
935	S	34.6	Very low	33.5	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	76%	0.758	S	S	*	*			cis	-143.1	138.3	4.3	52.2	0	0	0	0	111.7
936	E	30.7	Very low	33	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.804	76%	0.76	S	S	*	*			trans	-71.7	148.9	159.3	-58.7	170.2	123.9	0	0	110
937	N	31	Very low	32.4	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	77%	0.774	S	S	*	*				174.1	154.1	110.3	-100	-74.2	0	0	0	114.9
938	K	32.8	Very low	32.1	Very low	200 Å²	200	141.5 Å²	141.5	87%	0.87	78%	0.779	S	S	*	*			trans	78.4	146.2	170.8	-56.5	178.8	-177	178.6	0	117.8
939	A	31.1	Very low	31.6	Very low	78 Å²	78	141.8 Å²	141.8	65%	0.645	78%	0.78	S	S	*	*			cis	-179.4	140.1	-32.3	0	0	0	0	0	107.5
940	S	32.8	Very low	31.9	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	77%	0.774	S	S	*	*			trans	55.4	151.9	150.5	54.9	0	0	0	0	120.7
941	S	28.2	Very low	31.6	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	77%	0.771	S	S	*	*			cis	179.1	147.8	-28.4	51	0	0	0	0	107.2
942	A	31	Very low	31.7	Very low	89 Å²	89	135.6 Å²	135.6	74%	0.736	76%	0.759	S	S	*	*			trans	67.8	156.3	164	0	0	0	0	0	114.8
943	T	31.1	Very low	32	Very low	122 Å²	122	133.9 Å²	133.9	75%	0.748	75%	0.746	S	S	*	*			cis	-161.6	157.7	-15.7	12.5	0	0	0	0	109.5
944	H	30.4	Very low	32.2	Very low	147 Å²	147	133.1 Å²	133.1	68%	0.681	73%	0.734	S	S	*	*			trans	71.1	133.4	150.7	-93.8	-117.1	0	0	0	121
945	H	31.7	Very low	32.4	Very low	137 Å²	137	135 Å²	135	63%	0.634	73%	0.727	S	S	*	*				41.7	139.8	122.7	-65.9	-117.6	0	0	0	119.5
946	D	32.6	Very low	32.6	Very low	132 Å²	132	135.6 Å²	135.6	71%	0.706	72%	0.722	S	S	*	*			cis	-157.5	167.5	1.1	-114.3	-13.7	0	0	0	113.5
947	E	29.3	Very low	32.8	Very low	172 Å²	172	132.4 Å²	132.4	80%	0.804	71%	0.714	S	S	*	*			trans	-11.5	122	151.6	-174.2	168.6	-116	0	0	118
948	L	35.2	Very low	32.9	Very low	167 Å²	167	132 Å²	132	87%	0.874	71%	0.711	S	S	*	*			trans	-168.8	138.3	135.2	-103.8	163.2	0	0	0	111.9
949	I	29.7	Very low	32.7	Very low	146 Å²	146	127.6 Å²	127.6	75%	0.749	71%	0.705	S	S	*	*			trans	-149.1	150.6	-168	-68.7	178.3	0	0	0	106.3
950	P	39.8	Very low	32.8	Very low	104 Å²	104	132.1 Å²	132.1	68%	0.675	72%	0.717	S	S	*	*			cis	-125.7	-127.1	-10.8	33	-10.2	0	0	0	110.6
951	D	30.2	Very low	32.6	Very low	130 Å²	130	129.9 Å²	129.9	70%	0.695	71%	0.712	S	S	*	*			trans	81.6	137.4	152	-83.8	6.7	0	0	0	118.9
952	I	31.9	Very low	32.6	Very low	111 Å²	111	130.8 Å²	130.8	57%	0.569	72%	0.717	S	S	*	*			cis	-161.1	153.8	4	-138.3	169.2	0	0	0	113.5
953	Q	35.4	Very low	32.6	Very low	131 Å²	131	133.8 Å²	133.8	61%	0.612	72%	0.721	S	S	*	*			trans	65.4	158.6	158.4	-66.9	167.1	55.8	0	0	117.7
954	K	36.3	Very low	32.3	Very low	164 Å²	164	134.4 Å²	134.4	71%	0.713	73%	0.728	S	S	*	*			cis	-157.2	168.4	-12.4	-113.1	163.3	-171.6	161.8	0	105.3
955	K	34.8	Very low	32.3	Very low	161 Å²	161	133.2 Å²	133.2	70%	0.7	73%	0.734	S	S	*	*			cis	-164.1	141.6	31.9	-164	160.2	171.2	-175.9	0	111.6
956	D	37.9	Very low	31.9	Very low	124 Å²	124	132.1 Å²	132.1	66%	0.663	73%	0.733	S	S	*	*			trans	57.9	144.8	151.2	-64.4	13.1	0	0	0	120.6
957	T	34.7	Very low	31.5	Very low	104 Å²	104	136.6 Å²	136.6	64%	0.638	74%	0.74	S	S	*	*			cis	-163.7	133.5	-5.3	-106.8	0	0	0	0	112.4
958	I	33.4	Very low	31.3	Very low	137 Å²	137	132.7 Å²	132.7	70%	0.703	73%	0.731	S	S	*	*			trans	48.4	109.8	144.8	-53.1	178.8	0	0	0	117.3
959	S	29.7	Very low	30.8	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	73%	0.725	S	S	*	*				57.6	146	85.7	-48.7	0	0	0	0	114.4
960	L	32	Very low	30.8	Very low	172 Å²	172	132.8 Å²	132.8	90%	0.901	73%	0.733	S	S	*	*			cis	-121.6	176.9	8	-71.1	73.2	0	0	0	108.8
961	G	30	Very low	30.2	Very low	65 Å²	65	134.2 Å²	134.2	67%	0.67	74%	0.735	S	S	*	*			cis	164.9	132.8	-6.3	0	0	0	0	0	111.4
962	C	26.6	Very low	30.2	Very low	123 Å²	123	133.4 Å²	133.4	83%	0.831	74%	0.736	S	S	*	*			trans	66.3	146.8	172.7	-61.6	0	0	0	0	119.5
963	N	31	Very low	30	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	74%	0.742	S	S	*	*			trans	66.8	70.1	167.9	-53.6	-15.1	0	0	0	116.5
964	C	26.7	Very low	29.7	Very low	135 Å²	135	134.8 Å²	134.8	91%	0.912	74%	0.741	S	S	*	*			trans	-59.5	146.1	175.8	-62.1	0	0	0	0	113.4
965	P	28.5	Very low	29.4	Very low	122 Å²	122	134.6 Å²	134.6	79%	0.792	74%	0.74	S	S	*	*				-124.7	165.2	-129.8	30.5	-12.2	0	0	0	116.5
966	N	25.1	Very low	29.1	Very low	114 Å²	114	137.9 Å²	137.9	61%	0.61	75%	0.748	S	S	*	*			trans	-75.5	149.5	171.4	-126.5	-3.7	0	0	0	111.3
967	W	23.5	Very low	28.6	Very low	226 Å²	226	136.8 Å²	136.8	86%	0.856	74%	0.737	S	S	*	*			trans	60.4	174.9	155.4	-61.9	-38.1	0	0	0	116.9
968	S	24.3	Very low	28.5	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	73%	0.728	S	S	*	*			cis	-157.9	172.6	-48	67.2	0	0	0	0	108.6
969	T	26	Very low	28.2	Very low	119 Å²	119	131.6 Å²	131.6	73%	0.73	72%	0.723	S	S	*	*			trans	48.3	105.4	148.8	-34.2	0	0	0	0	118.4
970	Q	29.8	Very low	28.2	Very low	197 Å²	197	135.1 Å²	135.1	92%	0.921	73%	0.728	S	S	*	*				-161.2	164.9	108.9	-105	170.5	22.5	0	0	112.6
971	N	26.8	Very low	28.1	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	72%	0.716	S	S	*	*			trans	-107.8	163.3	-167	-143.4	-17.1	0	0	0	108.7	Q973	N971-Q973 PolarHBondContact OD1-N 2.84Å
972	P	29.9	Very low	28	Very low	112 Å²	112	135.4 Å²	135.4	73%	0.727	72%	0.721	S	S	*	*				-145.7	133.4	81	34.6	-16.2	0	0	0	116.5
973	Q	27.9	Very low	28.1	Very low	148 Å²	148	137.2 Å²	137.2	69%	0.692	72%	0.72	S	S	*	*				48.9	132.9	127.9	-57.7	-169.6	-58.2	0	0	119.9	N971	N971-Q973 PolarHBondContact OD1-N 2.84Å
974	E	28.8	Very low	28.1	Very low	124 Å²	124	136 Å²	136	58%	0.579	72%	0.721	S	S	*	*			cis	-160.9	155.4	2.3	-121	-175	172.7	0	0	113.3
975	K	30.3	Very low	28.1	Very low	159 Å²	159	135 Å²	135	69%	0.691	71%	0.714	S	S	*	*			trans	48.5	101.1	155.1	-61.8	152.9	-175.1	159.2	0	117.7
976	R	27.4	Very low	28.1	Very low	231 Å²	231	133.9 Å²	133.9	87%	0.872	71%	0.705	S	S	*	*				54.7	133.6	76.8	-65.6	178.8	172.9	173.5	-2.8	113.2
977	K	28.5	Very low	28.2	Very low	100 Å²	100	136 Å²	136	44%	0.435	72%	0.715	S	S	.	*			cis	-146.5	-164.2	21.4	-112.4	157.6	-174.1	175.1	0	112.7	N28	N28-K977 VanDerWaalsContact CB-NZ 3.25Å; N28-K977 PolarHBondContact ND2-NZ 2.8Å
978	T	31.4	Very low	28.5	Very low	75 Å²	75	131.2 Å²	131.2	46%	0.46	72%	0.715	S	S	.	*			trans	-140.1	90.5	-139.4	45.4	0	0	0	0	120.5	N25 Y26	N25-T978 WeakPolarHBondContact CB-OG1 3.45Å; N25-T978 PolarHBondContact O-OG1 3.4Å; Y26-T978 WeakPolarHBondContact CD2-O 3.46Å; Y26-T978 WeakPolarHBondContact CE2-O 3.35Å; Y26-T978 PolarHBondContact OH-N 2.98Å
979	G	28.3	Very low	28.6	Very low	58 Å²	58	134 Å²	134	60%	0.598	72%	0.723	S	S	*	*			trans	100	-151.4	151.2	0	0	0	0	0	120.7	Y26	Y26-G979 WeakPolarHBondContact CE2-O 3.49Å; Y26-G979 PolarHBondContact OH-N 3.48Å
980	Q	29.4	Very low	28.6	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	72%	0.72	S	S	*	*			trans	-155.1	154	169.4	-87.6	-175.2	-17.8	0	0	107.6
981	L	29.7	Very low	28.4	Very low	125 Å²	125	131.7 Å²	131.7	65%	0.654	71%	0.714	S	S	*	*			cis	89.7	145.2	17.1	-53.5	-178.6	0	0	0	116.3	Y26	Y26-L981 HydrophobicContact CD2-CD1 3.84Å; Y26-L981 HydrophobicContact CD2-CG 4.26Å; Y26-L981 HydrophobicContact CG-CD1 4.17Å
982	P	29.3	Very low	28.5	Very low	118 Å²	118	130.5 Å²	130.5	77%	0.766	72%	0.717	S	S	*	*			trans	-134.7	-166.5	-143.5	43.5	-25.1	0	0	0	116.9
983	I	28.1	Very low	28.5	Very low	160 Å²	160	128.5 Å²	128.5	82%	0.821	71%	0.709	S	S	*	*			trans	-50	128.5	178	-57.3	163.7	0	0	0	112.7
984	P	31.2	Very low	28.5	Very low	126 Å²	126	124.7 Å²	124.7	82%	0.818	69%	0.694	S	S	*	*			trans	-89.4	127.2	175.3	33.5	-32.3	0	0	0	112.9
985	C	26.1	Very low	28.4	Very low	116 Å²	116	124.6 Å²	124.6	78%	0.784	70%	0.697	S	S	*	*			trans	-145.5	144.7	161.4	-166.8	0	0	0	0	108.6
986	V	29.4	Very low	28.2	Very low	98 Å²	98	119.9 Å²	119.9	59%	0.594	68%	0.683	S	S	*	*	S	Bend	trans	78	114.1	176.1	-169.5	0	0	0	0	116.6
987	L	27.1	Very low	28.2	Very low	158 Å²	158	112.8 Å²	112.8	83%	0.827	67%	0.666	S	S	*	*			trans	46	124.4	150.1	-57.3	167.8	0	0	0	121.4
988	C	29	Very low	28.1	Very low	126 Å²	126	113.7 Å²	113.7	85%	0.851	68%	0.675	S	S	*	*				174.6	176.8	122.5	-96.1	0	0	0	0	113.8
989	N	25.6	Very low	27.9	Very low	149 Å²	149	117.8 Å²	117.8	80%	0.797	69%	0.689	S	S	*	*			trans	-100.4	168.8	-155.5	-55	-18.9	0	0	0	117.4
990	S	26.7	Very low	27.9	Very low	95 Å²	95	120.7 Å²	120.7	66%	0.664	70%	0.695	S	S	*	*			trans	75.3	131.4	136.7	52.8	0	0	0	0	124
991	E	25.8	Very low	27.7	Very low	172 Å²	172	117.5 Å²	117.5	80%	0.804	69%	0.693	S	S	*	*			trans	63.7	108.3	143.7	-68.3	161.4	-165	0	0	119.1
992	S	28.5	Very low	27.5	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	70%	0.696	S	S	*	*				109.9	160.2	85	74.8	0	0	0	0	109.5
993	A	29.3	Very low	27.4	Very low	69 Å²	69	122.6 Å²	122.6	57%	0.57	70%	0.701	S	S	*	*			cis	-155.5	144.7	10.1	0	0	0	0	0	113.5
994	N	28.8	Very low	27.2	Very low	69 Å²	69	124.5 Å²	124.5	37%	0.369	70%	0.703	S	S	.	*			trans	77.5	147.8	138.6	-55.4	6.3	0	0	0	125.4	T39 W40 T41	T39-N994 PolarHBondContact O-ND2 3.22Å; W40-N994 VanDerWaalsContact C-CG 3.42Å; W40-N994 PolarHBondContact O-ND2 2.74Å; W40-N994 PolarHBondContact O-OD1 2.84Å; T41-N994 PolarHBondContact N-OD1 2.83Å; T41-N994 VanDerWaalsContact N-OD1 3.13Å; T41-N994 WeakPolarHBondContact O-CA 3.26Å
995	N	27.1	Very low	27	Very low	122 Å²	122	125.4 Å²	125.4	65%	0.652	70%	0.7	S	S	*	*			trans	78.7	125.7	162	-59.8	-15.8	0	0	0	118.1	T41	T41-N995 PolarHBondContact O-N 3.46Å
996	C	25.5	Very low	27	Very low	59 Å²	59	124.6 Å²	124.6	40%	0.399	70%	0.696	S	S	.	*			cis	-158.6	163.7	8.8	-115.9	0	0	0	0	115.8	S42 S43	S42-C996 VanDerWaalsContact OG-C 3.32Å; S43-C996 CarbonylContact C-O 3.09Å; S43-C996 VanDerWaalsContact N-N 3.14Å; S43-C996 PolarHBondContact N-O 2.92Å; S43-C996 PolarHBondContact O-N 2.99Å; S43-C996 VanDerWaalsContact O-O 3.08Å; S43-C996 PolarHBondContact OG-O 3.45Å
997	T	28.5	Very low	26.8	Very low	82 Å²	82	126.9 Å²	126.9	50%	0.503	71%	0.705	S	S	.	*			trans	53.1	85.5	154.1	53.8	0	0	0	0	121.7	S42 C44	S42-T997 PolarHBondContact OG-N 3Å; C44-T997 WeakPolarHBondContact CB-O 3.09Å; C44-T997 PolarHBondContact SG-O 2.86Å
998	D	26	Very low	26.7	Very low	119 Å²	119	125 Å²	125	64%	0.636	70%	0.699	S	S	*	*				50.1	128	122.2	-45.7	-45	0	0	0	121.9	S43 N45	S43-D998 PolarHBondContact OG-N 2.75Å; S43-D998 VanDerWaalsContact OG-N 3.12Å; N45-D998 PolarHBondContact ND2-O 3.18Å
999	E	26.7	Very low	26.6	Very low	162 Å²	162	124.9 Å²	124.9	76%	0.757	70%	0.695	S	S	*	*				-157.8	164.8	103.7	-139	-169.8	-165.4	0	0	113.4	N45	N45-E999 PolarHBondContact ND2-N 3.41Å; N45-E999 VanDerWaalsContact ND2-N 3.12Å
1000	V	28.1	Very low	26.6	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.715	70%	0.695	S	S	*	*			trans	63.6	74.4	169.1	-159.5	0	0	0	0	118.4	K1002	V1000-K1002 PolarHBondContact O-N 2.87Å
1001	S	24.6	Very low	26.7	Very low	116 Å²	116	121.7 Å²	121.7	81%	0.811	69%	0.694	S	S	*	*			trans	-65.5	113.9	153.7	-54.2	0	0	0	0	111.9
1002	K	26.9	Very low	26.8	Very low	164 Å²	164	120.4 Å²	120.4	71%	0.713	69%	0.693	S	S	*	*			trans	-178.6	105.8	153.7	-99	145.5	-169.9	165.1	0	112.3	V1000	V1000-K1002 PolarHBondContact O-N 2.87Å
1003	Q	27.3	Very low	26.8	Very low	185 Å²	185	122 Å²	122	86%	0.864	69%	0.693	S	S	*	*			trans	150	86.5	147.3	-85.7	180	6.8	0	0	110.1
1004	F	23.9	Very low	26.8	Very low	200 Å²	200	126.6 Å²	126.6	88%	0.877	71%	0.707	S	S	*	*			trans	-135.4	146.7	165.9	-127.6	-92.3	0	0	0	107.6
1005	I	25.9	Very low	26.7	Very low	145 Å²	145	131.9 Å²	131.9	74%	0.744	73%	0.727	S	S	*	*			trans	76.6	113.5	170.4	-50	-178.2	0	0	0	117.4
1006	S	26.2	Very low	26.6	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	74%	0.739	S	S	*	*			trans	82.9	133.3	150.9	72.4	0	0	0	0	121.2
1007	N	25.6	Very low	26.6	Very low	146 Å²	146	137.8 Å²	137.8	78%	0.781	74%	0.743	S	S	*	*			cis	-171.4	159	-22.4	-110.6	-7	0	0	0	111.3
1008	V	25.8	Very low	26.7	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.715	75%	0.75	S	S	*	*			trans	34.6	126.1	137.6	172.9	0	0	0	0	118.5
1009	T	25.3	Very low	27	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	76%	0.755	S	S	*	*			cis	-173.3	176.2	5.4	22.7	0	0	0	0	107.6
1010	S	27.3	Very low	27.2	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	74%	0.744	S	S	*	*			cis	-169.6	-176.1	-11.3	47.3	0	0	0	0	108.8
1011	G	27.8	Very low	27.5	Very low	64 Å²	64	132.7 Å²	132.7	66%	0.66	74%	0.736	S	S	*	*			trans	124.7	106.4	168.7	0	0	0	0	0	112.6
1012	D	27.7	Very low	28	Very low	144 Å²	144	131.6 Å²	131.6	77%	0.77	72%	0.72	S	S	*	*				78.6	108.4	65.2	-72.2	-46.7	0	0	0	115
1013	N	28.7	Very low	28.3	Very low	142 Å²	142	129 Å²	129	76%	0.759	71%	0.714	S	S	*	*				164.2	116.7	113.8	-92.9	-74	0	0	0	112.5
1014	L	29.6	Very low	29	Very low	167 Å²	167	124.9 Å²	124.9	87%	0.874	70%	0.697	S	S	*	*			trans	-172.2	99.4	141.5	-109.9	159.9	0	0	0	113
1015	F	25.7	Very low	29.8	Very low	179 Å²	179	118 Å²	118	79%	0.785	67%	0.673	S	S	*	*			trans	-72.7	154.5	168.9	-87.9	-105.5	0	0	0	112.4
1016	R	25.8	Very low	30.6	Very low	237 Å²	237	114.8 Å²	114.8	89%	0.894	66%	0.657	S	S	*	*				153.7	96.3	124	-175.1	179.9	-170.2	-165	3.9	113.4
1017	S	25.6	Very low	31.7	Very low	69 Å²	69	113 Å²	113	48%	0.483	64%	0.642	S	S	.	*			trans	-158	156.7	158	72.9	0	0	0	0	114.3	N458	N458-S1017 PolarHBondContact OD1-OG 3.15Å
1018	N	30.3	Very low	33.3	Very low	124 Å²	124	113.1 Å²	113.1	66%	0.663	64%	0.635	S	S	*	*			trans	61	61.4	155.7	-61.7	-17.1	0	0	0	121.1
1019	T	32.4	Very low	34.3	Very low	121 Å²	121	113.9 Å²	113.9	74%	0.742	63%	0.631	S	S	*	*			trans	-77.7	-28.2	163.5	46.6	0	0	0	0	114.5	S1021 I1022	T1019-S1021 VanDerWaalsContact C-N 3.33Å; T1019-S1021 PolarHBondContact O-N 2.87Å; T1019-I1022 PolarHBondContact O-N 2.91Å
1020	G	30.5	Very low	35.5	Very low	51 Å²	51	110.9 Å²	110.9	53%	0.526	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-8	-166.9	0	0	0	0	0	117.8
1021	S	34.9	Very low	36.6	Very low	78 Å²	78	109 Å²	109	55%	0.545	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	-26.2	177.5	53.9	0	0	0	0	113.2	T1019 S1025	T1019-S1021 VanDerWaalsContact C-N 3.33Å; T1019-S1021 PolarHBondContact O-N 2.87Å; S1021-S1025 PolarHBondContact O-N 2.83Å
1022	I	34.5	Very low	37.9	Very low	92 Å²	92	107.5 Å²	107.5	47%	0.472	57%	0.573	S	S	.	*	H	α-helix	trans	-70.8	-47.1	-170.9	-65.4	171.2	0	0	0	110.6	T1019 I1024 S1025 I1026	T1019-I1022 PolarHBondContact O-N 2.91Å; I1022-I1024 VanDerWaalsContact C-N 3.25Å; I1022-I1024 PolarHBondContact O-N 2.85Å; I1022-S1025 WeakPolarHBondContact O-CA 3.19Å; I1022-S1025 WeakPolarHBondContact O-CB 3.3Å; I1022-S1025 PolarHBondContact O-N 3.35Å; I1022-S1025 PolarHBondContact O-OG 3.19Å; I1022-I1026 HydrophobicContact CG2-CD1 3.73Å; I1022-I1026 HydrophobicContact CG2-CG1 4.35Å; I1022-I1026 PolarHBondContact O-N 3.3Å
1023	D	32.6	Very low	38.8	Very low	109 Å²	109	105.5 Å²	105.5	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-55.1	-38	178.4	-71.1	-21.3	0	0	0	113.4	S1025 I1026 T1027	D1023-S1025 VanDerWaalsContact C-N 3.3Å; D1023-S1025 PolarHBondContact O-N 3.13Å; D1023-I1026 PolarHBondContact O-N 3.34Å; D1023-T1027 WeakPolarHBondContact O-CB 3.45Å; D1023-T1027 PolarHBondContact O-N 3.41Å; D1023-T1027 PolarHBondContact O-OG1 3.33Å
1024	I	43.9	Very low	39.7	Very low	100 Å²	100	105.7 Å²	105.7	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-68.3	-33.9	179	-59.1	175.4	0	0	0	110.4	I1022 K1028	I1022-I1024 VanDerWaalsContact C-N 3.25Å; I1022-I1024 PolarHBondContact O-N 2.85Å; I1024-K1028 HydrophobicContact CG2-CD 4.48Å; I1024-K1028 VanDerWaalsContact O-CG 3.29Å; I1024-K1028 WeakPolarHBondContact O-CG 3.37Å; I1024-K1028 PolarHBondContact O-N 2.86Å
1025	S	40.3	Very low	40.7	Very low	54 Å²	54	103.9 Å²	103.9	38%	0.378	53%	0.534	S	S	.	.	H	α-helix	trans	-72.4	-43.7	176.4	81.3	0	0	0	0	111.9	S1021 I1022 D1023 K1028 Q1029	S1021-S1025 PolarHBondContact O-N 2.83Å; I1022-S1025 WeakPolarHBondContact O-CA 3.19Å; I1022-S1025 WeakPolarHBondContact O-CB 3.3Å; I1022-S1025 PolarHBondContact O-N 3.35Å; I1022-S1025 PolarHBondContact O-OG 3.19Å; D1023-S1025 VanDerWaalsContact C-N 3.3Å; D1023-S1025 PolarHBondContact O-N 3.13Å; S1025-K1028 PolarHBondContact O-N 3.14Å; S1025-Q1029 WeakPolarHBondContact O-CG 3.28Å; S1025-Q1029 PolarHBondContact O-N 3.15Å; S1025-Q1029 VanDerWaalsContact O-N 3.11Å
1026	I	41.4	Very low	41.9	Very low	79 Å²	79	102.5 Å²	102.5	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-44.6	179.6	-64.6	172.5	0	0	0	110.2	I1022 D1023 K1028 Q1029 I1030	I1022-I1026 HydrophobicContact CG2-CD1 3.73Å; I1022-I1026 HydrophobicContact CG2-CG1 4.35Å; I1022-I1026 PolarHBondContact O-N 3.3Å; D1023-I1026 PolarHBondContact O-N 3.34Å; I1026-K1028 VanDerWaalsContact C-N 3.33Å; I1026-K1028 PolarHBondContact O-N 2.88Å; I1026-Q1029 PolarHBondContact O-N 2.91Å; I1026-Q1029 VanDerWaalsContact O-N 3.11Å; I1026-I1030 HydrophobicContact CG2-CD1 3.85Å; I1026-I1030 HydrophobicContact CG2-CG1 4.43Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.34Å; I1026-I1030 PolarHBondContact O-N 3.37Å
1027	T	50.5	Low	42.8	Very low	62 Å²	62	93 Å²	93	38%	0.38	49%	0.489	S	S	.	.	H	α-helix	trans	-58.9	-44.1	177.8	-55	0	0	0	0	111.4	D1023 Q1029 I1030 D1031	D1023-T1027 WeakPolarHBondContact O-CB 3.45Å; D1023-T1027 PolarHBondContact O-N 3.41Å; D1023-T1027 PolarHBondContact O-OG1 3.33Å; T1027-Q1029 VanDerWaalsContact C-N 3.34Å; T1027-Q1029 PolarHBondContact O-N 2.92Å; T1027-I1030 PolarHBondContact O-N 3.4Å; T1027-D1031 PolarHBondContact O-N 2.53Å
1028	K	59.4	Low	43.8	Very low	148 Å²	148	93.4 Å²	93.4	64%	0.643	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-36.4	175.7	-74.8	174	-178.7	177.7	0	113.2	I1024 S1025 I1026 A1032	I1024-K1028 HydrophobicContact CG2-CD 4.48Å; I1024-K1028 VanDerWaalsContact O-CG 3.29Å; I1024-K1028 WeakPolarHBondContact O-CG 3.37Å; I1024-K1028 PolarHBondContact O-N 2.86Å; S1025-K1028 PolarHBondContact O-N 3.14Å; I1026-K1028 VanDerWaalsContact C-N 3.33Å; I1026-K1028 PolarHBondContact O-N 2.88Å; K1028-A1032 WeakPolarHBondContact O-CB 3.43Å; K1028-A1032 PolarHBondContact O-N 2.88Å
1029	Q	45.9	Very low	44.1	Very low	134 Å²	134	91.5 Å²	91.5	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-68.2	-42	175	-71.5	-173.8	70.5	0	0	111.8	S1025 I1026 T1027 D1031 A1032 F1033	S1025-Q1029 WeakPolarHBondContact O-CG 3.28Å; S1025-Q1029 PolarHBondContact O-N 3.15Å; S1025-Q1029 VanDerWaalsContact O-N 3.11Å; I1026-Q1029 PolarHBondContact O-N 2.91Å; I1026-Q1029 VanDerWaalsContact O-N 3.11Å; T1027-Q1029 VanDerWaalsContact C-N 3.34Å; T1027-Q1029 PolarHBondContact O-N 2.92Å; Q1029-D1031 PolarHBondContact O-N 3.48Å; Q1029-A1032 PolarHBondContact O-N 2.84Å; Q1029-F1033 WeakPolarHBondContact O-CB 3.35Å; Q1029-F1033 PolarHBondContact O-N 2.83Å
1030	I	49.9	Very low	44.3	Very low	61 Å²	61	89.3 Å²	89.3	31%	0.313	47%	0.474	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176	-69.1	169.6	0	0	0	110.9	I1026 T1027 F1033 R1034 L1056	I1026-I1030 HydrophobicContact CG2-CD1 3.85Å; I1026-I1030 HydrophobicContact CG2-CG1 4.43Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.34Å; I1026-I1030 PolarHBondContact O-N 3.37Å; T1027-I1030 PolarHBondContact O-N 3.4Å; I1030-F1033 WeakPolarHBondContact O-CB 3.29Å; I1030-F1033 PolarHBondContact O-N 3.28Å; I1030-R1034 WeakPolarHBondContact O-CB 3.36Å; I1030-R1034 PolarHBondContact O-N 3.02Å; I1030-L1056 HydrophobicContact CD1-CD2 3.84Å
1031	D	51.7	Low	44.5	Very low	74 Å²	74	92.4 Å²	92.4	40%	0.396	49%	0.488	S	S	.	.	H	α-helix	trans	-74.7	-33.1	179.9	-70.8	-30.8	0	0	0	112.9	T1027 Q1029 F1033 R1034 E1035	T1027-D1031 PolarHBondContact O-N 2.53Å; Q1029-D1031 PolarHBondContact O-N 3.48Å; D1031-F1033 VanDerWaalsContact C-N 3.32Å; D1031-F1033 PolarHBondContact O-N 3.47Å; D1031-R1034 WeakPolarHBondContact O-CB 3.27Å; D1031-R1034 PolarHBondContact O-N 3.43Å; D1031-R1034 IonicContact OD1-CZ 3.35Å; D1031-R1034 IonicContact OD1-NE 2.93Å; D1031-R1034 PolarHBondContact OD1-NE 3.06Å; D1031-R1034 IonicContact OD1-NH2 2.86Å; D1031-R1034 PolarHBondContact OD1-NH2 3.4Å; D1031-E1035 WeakPolarHBondContact O-CB 3.22Å; D1031-E1035 PolarHBondContact O-N 3.03Å
1032	A	54.4	Low	44.3	Very low	33 Å²	33	93.4 Å²	93.4	27%	0.273	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-33.6	168.8	0	0	0	0	0	112.6	K1028 Q1029 R1036	K1028-A1032 WeakPolarHBondContact O-CB 3.43Å; K1028-A1032 PolarHBondContact O-N 2.88Å; Q1029-A1032 PolarHBondContact O-N 2.84Å; A1032-R1036 VanDerWaalsContact O-CG 3.29Å; A1032-R1036 WeakPolarHBondContact O-CG 3.49Å; A1032-R1036 PolarHBondContact O-N 3.21Å
1033	F	46.2	Very low	44.3	Very low	101 Å²	101	95 Å²	95	44%	0.443	51%	0.511	S	S	.	.	H	α-helix	trans	-69	-41.1	170.9	-178.1	-94.1	0	0	0	111.5	Q1029 I1030 D1031 E1035 R1036 Q1037 I1076	Q1029-F1033 WeakPolarHBondContact O-CB 3.35Å; Q1029-F1033 PolarHBondContact O-N 2.83Å; I1030-F1033 WeakPolarHBondContact O-CB 3.29Å; I1030-F1033 PolarHBondContact O-N 3.28Å; D1031-F1033 VanDerWaalsContact C-N 3.32Å; D1031-F1033 PolarHBondContact O-N 3.47Å; F1033-E1035 PolarHBondContact O-N 3.32Å; F1033-R1036 PolarHBondContact O-N 2.66Å; F1033-Q1037 HydrophobicContact CD1-CG 4.11Å; F1033-Q1037 HydrophobicContact CE1-CG 3.75Å; F1033-Q1037 HydrophobicContact CZ-CG 4.07Å; F1033-Q1037 WeakPolarHBondContact O-CG 3.31Å; F1033-Q1037 PolarHBondContact O-N 2.94Å; F1033-I1076 HydrophobicContact CZ-CD1 4.39Å
1034	R	49.1	Very low	44.2	Very low	146 Å²	146	96.7 Å²	96.7	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-61.2	-42.5	174.9	-162.8	-166.8	-47.6	-75.6	-1.3	111.8	I1030 D1031 Q1037 S1038	I1030-R1034 WeakPolarHBondContact O-CB 3.36Å; I1030-R1034 PolarHBondContact O-N 3.02Å; D1031-R1034 WeakPolarHBondContact O-CB 3.27Å; D1031-R1034 PolarHBondContact O-N 3.43Å; D1031-R1034 IonicContact OD1-CZ 3.35Å; D1031-R1034 IonicContact OD1-NE 2.93Å; D1031-R1034 PolarHBondContact OD1-NE 3.06Å; D1031-R1034 IonicContact OD1-NH2 2.86Å; D1031-R1034 PolarHBondContact OD1-NH2 3.4Å; R1034-Q1037 PolarHBondContact O-N 3.34Å; R1034-S1038 WeakPolarHBondContact O-CB 3.06Å; R1034-S1038 PolarHBondContact O-N 3Å; R1034-S1038 PolarHBondContact O-OG 3.27Å
1035	E	50.8	Low	43.6	Very low	130 Å²	130	95.4 Å²	95.4	61%	0.607	54%	0.537	S	S	*	.	H	α-helix	trans	-59.4	-48.8	175.1	-170.5	177.4	-164.5	0	0	110.6	D1031 F1033 Q1037 S1038 A1039	D1031-E1035 WeakPolarHBondContact O-CB 3.22Å; D1031-E1035 PolarHBondContact O-N 3.03Å; F1033-E1035 PolarHBondContact O-N 3.32Å; E1035-Q1037 VanDerWaalsContact C-N 3.33Å; E1035-Q1037 PolarHBondContact O-N 3.37Å; E1035-S1038 WeakPolarHBondContact CA-OG 3.28Å; E1035-S1038 PolarHBondContact O-N 3.25Å; E1035-S1038 VanDerWaalsContact O-N 3.15Å; E1035-S1038 PolarHBondContact O-OG 3.37Å; E1035-A1039 PolarHBondContact O-N 3.16Å
1036	R	50.6	Low	43	Very low	149 Å²	149	99.1 Å²	99.1	56%	0.562	55%	0.552	S	S	*	*	H	α-helix	trans	-59.5	-38.6	174.7	-68.6	169.5	-169.3	-174.4	3.6	113.1	A1032 F1033	A1032-R1036 VanDerWaalsContact O-CG 3.29Å; A1032-R1036 WeakPolarHBondContact O-CG 3.49Å; A1032-R1036 PolarHBondContact O-N 3.21Å; F1033-R1036 PolarHBondContact O-N 2.66Å
1037	Q	44.9	Very low	42.6	Very low	37 Å²	37	100.8 Å²	100.8	17%	0.173	57%	0.568	C	S	.	*	H	α-helix	trans	-73.1	-32.7	176.1	-68.7	-62.9	-16.8	0	0	112.7	F1033 R1034 E1035 A1039 F1040	F1033-Q1037 HydrophobicContact CD1-CG 4.11Å; F1033-Q1037 HydrophobicContact CE1-CG 3.75Å; F1033-Q1037 HydrophobicContact CZ-CG 4.07Å; F1033-Q1037 WeakPolarHBondContact O-CG 3.31Å; F1033-Q1037 PolarHBondContact O-N 2.94Å; R1034-Q1037 PolarHBondContact O-N 3.34Å; E1035-Q1037 VanDerWaalsContact C-N 3.33Å; E1035-Q1037 PolarHBondContact O-N 3.37Å; Q1037-A1039 PolarHBondContact O-N 3.45Å; Q1037-F1040 WeakPolarHBondContact O-CB 3.07Å; Q1037-F1040 PolarHBondContact O-N 2.8Å
1038	S	45.7	Very low	41.5	Very low	78 Å²	78	106.1 Å²	106.1	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-68.4	-13	179.9	71.8	0	0	0	0	114.4	R1034 E1035 F1040	R1034-S1038 WeakPolarHBondContact O-CB 3.06Å; R1034-S1038 PolarHBondContact O-N 3Å; R1034-S1038 PolarHBondContact O-OG 3.27Å; E1035-S1038 WeakPolarHBondContact CA-OG 3.28Å; E1035-S1038 PolarHBondContact O-N 3.25Å; E1035-S1038 VanDerWaalsContact O-N 3.15Å; E1035-S1038 PolarHBondContact O-OG 3.37Å; S1038-F1040 PolarHBondContact O-N 3.37Å
1039	A	37.3	Very low	40	Very low	85 Å²	85	105.2 Å²	105.2	70%	0.702	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-16.9	165.9	0	0	0	0	0	113.2	E1035 Q1037	E1035-A1039 PolarHBondContact O-N 3.16Å; Q1037-A1039 PolarHBondContact O-N 3.45Å
1040	F	35	Very low	39.3	Very low	74 Å²	74	104 Å²	104	33%	0.325	61%	0.608	S	S	.	*	S	Bend	trans	-104.5	77.5	174.9	-61.8	-96.6	0	0	0	110.9	Q1037 S1038 S1042 K1080	Q1037-F1040 WeakPolarHBondContact O-CB 3.07Å; Q1037-F1040 PolarHBondContact O-N 2.8Å; S1038-F1040 PolarHBondContact O-N 3.37Å; F1040-S1042 PolarHBondContact O-N 2.89Å; F1040-K1080 VanDerWaalsContact CB-CE 3.46Å; F1040-K1080 VanDerWaalsContact CD2-NZ 3.26Å
1041	S	36.6	Very low	38.5	Very low	116 Å²	116	107.9 Å²	107.9	81%	0.811	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-65.6	123.6	169.3	-61.7	0	0	0	0	110.7
1042	S	29.9	Very low	37.5	Very low	100 Å²	100	109.5 Å²	109.5	70%	0.699	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-76.4	162.1	174.6	50.1	0	0	0	0	112.3	F1040 T1044	F1040-S1042 PolarHBondContact O-N 2.89Å; S1042-T1044 PolarHBondContact O-N 3.32Å
1043	P	33.8	Very low	36.5	Very low	124 Å²	124	117.1 Å²	117.1	81%	0.805	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-56.5	136.9	167.2	-23.2	34.5	0	0	0	111.3
1044	T	31.8	Very low	35.8	Very low	146 Å²	146	119.6 Å²	119.6	90%	0.896	68%	0.675	S	S	*	*	S	Bend	trans	-59.3	133.4	-178.4	44.8	0	0	0	0	112.8	S1042	S1042-T1044 PolarHBondContact O-N 3.32Å
1045	G	30.2	Very low	35.1	Very low	73 Å²	73	118.4 Å²	118.4	75%	0.753	68%	0.678	S	S	*	*			trans	177.7	-26.8	168	0	0	0	0	0	120
1046	L	28.7	Very low	34.3	Very low	132 Å²	132	117.1 Å²	117.1	69%	0.691	68%	0.675	S	S	*	*			trans	-124.5	147.8	-165	-69.2	172	0	0	0	115.4
1047	P	31.5	Very low	33.4	Very low	113 Å²	113	115.6 Å²	115.6	73%	0.734	67%	0.674	S	S	*	*			trans	-84.3	152.7	-174.9	-6.9	26.6	0	0	0	113.7	V1049	P1047-V1049 PolarHBondContact O-N 2.95Å
1048	N	28.1	Very low	32.9	Very low	175 Å²	175	121 Å²	121	94%	0.936	70%	0.699	S	S	*	*			trans	-61	119.4	174.4	-80.7	-35.3	0	0	0	112.5
1049	V	28.7	Very low	32.3	Very low	128 Å²	128	125.2 Å²	125.2	78%	0.776	71%	0.705	S	S	*	*			trans	-116.6	137.6	162.5	-179.4	0	0	0	0	108.3	P1047 V1051	P1047-V1049 PolarHBondContact O-N 2.95Å; V1049-V1051 PolarHBondContact O-N 2.93Å
1050	S	29.7	Very low	32.2	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	70%	0.704	S	S	*	*			trans	-69.2	113.9	-170.9	53.6	0	0	0	0	112.9	N1052	S1050-N1052 PolarHBondContact O-N 3.22Å
1051	V	33.6	Very low	32	Very low	141 Å²	141	127.2 Å²	127.2	86%	0.855	72%	0.718	S	S	*	*			trans	-61.6	126.2	167.3	-179.2	0	0	0	0	109	V1049 R1053	V1049-V1051 PolarHBondContact O-N 2.93Å; V1051-R1053 PolarHBondContact O-N 2.83Å
1052	N	30.8	Very low	31.7	Very low	109 Å²	109	125.6 Å²	125.6	58%	0.583	70%	0.699	S	S	*	*			trans	-83.2	116.5	-165.2	-160.7	-13.8	0	0	0	111.4	S1050 K1054 L1055	S1050-N1052 PolarHBondContact O-N 3.22Å; N1052-K1054 PolarHBondContact O-N 3.26Å; N1052-K1054 VanDerWaalsContact O-N 3.09Å; N1052-L1055 PolarHBondContact O-N 2.83Å; N1052-L1055 VanDerWaalsContact O-N 3.1Å
1053	R	33.4	Very low	31.6	Very low	193 Å²	193	126.8 Å²	126.8	73%	0.728	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-54.4	-35.3	-169.6	-152.6	179.5	-160.3	174.9	2.7	113.5	V1051 L1055 L1056	V1051-R1053 PolarHBondContact O-N 2.83Å; R1053-L1055 PolarHBondContact O-N 3.35Å; R1053-L1055 VanDerWaalsContact O-N 3.12Å; R1053-L1056 PolarHBondContact O-N 3.3Å; R1053-L1056 VanDerWaalsContact O-N 3.13Å
1054	K	31.2	Very low	31.4	Very low	153 Å²	153	128.1 Å²	128.1	67%	0.665	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-61.4	-16.1	-179.8	-68.2	-167.1	170.8	-166.4	0	115.6	N1052	N1052-K1054 PolarHBondContact O-N 3.26Å; N1052-K1054 VanDerWaalsContact O-N 3.09Å
1055	L	34.3	Very low	31.4	Very low	120 Å²	120	126.9 Å²	126.9	63%	0.628	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-78.7	-17	175.9	-87.6	168.7	0	0	0	113.4	N1052 R1053 Y1059	N1052-L1055 PolarHBondContact O-N 2.83Å; N1052-L1055 VanDerWaalsContact O-N 3.1Å; R1053-L1055 PolarHBondContact O-N 3.35Å; R1053-L1055 VanDerWaalsContact O-N 3.12Å; L1055-Y1059 WeakPolarHBondContact O-CD2 3.43Å
1056	L	35	Very low	31.3	Very low	104 Å²	104	134.2 Å²	134.2	55%	0.545	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-33.9	179.1	-157.6	66.2	0	0	0	112	I1030 R1053 H1058 Y1059	I1030-L1056 HydrophobicContact CD1-CD2 3.84Å; R1053-L1056 PolarHBondContact O-N 3.3Å; R1053-L1056 VanDerWaalsContact O-N 3.13Å; L1056-H1058 PolarHBondContact O-N 3.27Å; L1056-Y1059 PolarHBondContact O-N 2.81Å
1057	E	31.9	Very low	31.7	Very low	116 Å²	116	133.9 Å²	133.9	54%	0.542	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-20.3	-178.9	-68.1	156.8	-176.1	0	0	113.5	T1060	E1057-T1060 PolarHBondContact O-OG1 3.04Å; E1057-T1060 VanDerWaalsContact O-OG1 3.04Å
1058	H	34.2	Very low	32.2	Very low	151 Å²	151	130.7 Å²	130.7	70%	0.699	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-9.2	177.8	-95.3	-46.7	0	0	0	115.2	L1056	L1056-H1058 PolarHBondContact O-N 3.27Å
1059	Y	33.2	Very low	32.8	Very low	167 Å²	167	130.2 Å²	130.2	66%	0.655	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-2.4	175.9	-73.3	-77	0	0	0	113.3	L1055 L1056 S1061 I1062	L1055-Y1059 WeakPolarHBondContact O-CD2 3.43Å; L1056-Y1059 PolarHBondContact O-N 2.81Å; Y1059-S1061 PolarHBondContact O-N 3.34Å; Y1059-I1062 HydrophobicContact CD1-CD1 4.17Å
1060	T	35.1	Very low	33.8	Very low	113 Å²	113	126.8 Å²	126.8	69%	0.693	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	6.5	174	36.8	0	0	0	0	114.7	E1057	E1057-T1060 PolarHBondContact O-OG1 3.04Å; E1057-T1060 VanDerWaalsContact O-OG1 3.04Å
1061	S	30.9	Very low	34.8	Very low	87 Å²	87	125.2 Å²	125.2	61%	0.608	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	28.1	-173.3	65.6	0	0	0	0	114.2	Y1059	Y1059-S1061 PolarHBondContact O-N 3.34Å
1062	I	29.2	Very low	36.5	Very low	83 Å²	83	122.8 Å²	122.8	43%	0.426	60%	0.599	S	S	.	*			trans	-120.7	103.4	175.5	-58.8	178.1	0	0	0	108.6	Y1059 E1064	Y1059-I1062 HydrophobicContact CD1-CD1 4.17Å; I1062-E1064 HydrophobicContact CG2-CB 4.26Å; I1062-E1064 PolarHBondContact O-N 2.84Å
1063	P	27.7	Very low	38	Very low	125 Å²	125	117.9 Å²	117.9	81%	0.812	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-2.9	179.9	-22.1	35.1	0	0	0	115.7
1064	E	30.6	Very low	39	Very low	151 Å²	151	109.5 Å²	109.5	71%	0.706	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	6.5	-156.6	-60.1	-174.2	126.7	0	0	115.9	I1062 Y1066 Q1067	I1062-E1064 HydrophobicContact CG2-CB 4.26Å; I1062-E1064 PolarHBondContact O-N 2.84Å; E1064-Y1066 PolarHBondContact O-N 3.01Å; E1064-Q1067 PolarHBondContact O-OE1 3.46Å
1065	L	30.8	Very low	40.9	Very low	121 Å²	121	105.6 Å²	105.6	63%	0.634	53%	0.528	S	S	*	.			trans	-78.7	57.8	177.6	-78.4	173	0	0	0	113.4	Q1067	L1065-Q1067 HydrophobicContact CD2-CB 4.45Å
1066	Y	28.5	Very low	42.7	Very low	226 Å²	226	101 Å²	101	89%	0.886	50%	0.503	S	S	*	.			trans	-83.5	1.5	156.8	-107	-90.2	0	0	0	112.6	E1064 S1068	E1064-Y1066 PolarHBondContact O-N 3.01Å; Y1066-S1068 PolarHBondContact O-N 3.06Å
1067	Q	37.5	Very low	44.3	Very low	126 Å²	126	97.3 Å²	97.3	59%	0.589	48%	0.483	S	S	*	.	S	Bend	trans	-68.5	93.4	163.7	-93.5	66.7	16.8	0	0	110.6	E1064 L1065	E1064-Q1067 PolarHBondContact O-OE1 3.46Å; L1065-Q1067 HydrophobicContact CD2-CB 4.45Å
1068	S	41.8	Very low	46.1	Very low	45 Å²	45	91.9 Å²	91.9	32%	0.315	46%	0.457	S	S	.	.			trans	56.7	125.8	154	105.7	0	0	0	0	118.6	Y1066 T1070 D1071	Y1066-S1068 PolarHBondContact O-N 3.06Å; S1068-T1070 WeakPolarHBondContact CB-OG1 3.3Å; S1068-T1070 PolarHBondContact O-N 2.82Å; S1068-T1070 VanDerWaalsContact O-N 3.11Å; S1068-T1070 WeakPolarHBondContact OG-CB 3.35Å; S1068-T1070 PolarHBondContact OG-N 2.57Å; S1068-T1070 PolarHBondContact OG-OG1 3.12Å; S1068-D1071 WeakPolarHBondContact CB-OD2 3.16Å; S1068-D1071 PolarHBondContact O-N 3.46Å; S1068-D1071 VanDerWaalsContact O-N 3.07Å; S1068-D1071 PolarHBondContact OG-N 3.47Å; S1068-D1071 PolarHBondContact OG-OD2 2.72Å
1069	Y	40.4	Very low	47.9	Very low	165 Å²	165	89.7 Å²	89.7	65%	0.647	45%	0.45	S	S	*	.	H	α-helix	trans	-53.7	-31.3	166.1	-83.5	-92.2	0	0	0	111.9	D1071 I1072 F1073	Y1069-D1071 VanDerWaalsContact C-N 3.35Å; Y1069-D1071 PolarHBondContact O-N 2.86Å; Y1069-I1072 PolarHBondContact O-N 2.81Å; Y1069-F1073 HydrophobicContact CD1-CE2 4.33Å; Y1069-F1073 WeakPolarHBondContact O-CD2 2.92Å; Y1069-F1073 WeakPolarHBondContact O-CG 3.19Å; Y1069-F1073 PolarHBondContact O-N 3.48Å
1070	T	49.5	Very low	49.6	Very low	56 Å²	56	85 Å²	85	34%	0.344	43%	0.433	S	S	.	.	H	α-helix	trans	-56.8	-39.5	175.4	20.4	0	0	0	0	113.5	S1068 F1073 H1074 M1106	S1068-T1070 WeakPolarHBondContact CB-OG1 3.3Å; S1068-T1070 PolarHBondContact O-N 2.82Å; S1068-T1070 VanDerWaalsContact O-N 3.11Å; S1068-T1070 WeakPolarHBondContact OG-CB 3.35Å; S1068-T1070 PolarHBondContact OG-N 2.57Å; S1068-T1070 PolarHBondContact OG-OG1 3.12Å; T1070-F1073 PolarHBondContact O-N 3.22Å; T1070-H1074 PolarHBondContact O-CD2 2.88Å; T1070-H1074 PolarHBondContact O-N 2.95Å; T1070-M1106 HydrophobicContact CG2-CE 3.56Å; T1070-M1106 HydrophobicContact CG2-SD 4.21Å
1071	D	51.2	Low	51.2	Low	78 Å²	78	83.5 Å²	83.5	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-73.3	-38.9	179.8	-67.4	-53.6	0	0	0	112	S1068 Y1069 F1073 H1074 L1075	S1068-D1071 WeakPolarHBondContact CB-OD2 3.16Å; S1068-D1071 PolarHBondContact O-N 3.46Å; S1068-D1071 VanDerWaalsContact O-N 3.07Å; S1068-D1071 PolarHBondContact OG-N 3.47Å; S1068-D1071 PolarHBondContact OG-OD2 2.72Å; Y1069-D1071 VanDerWaalsContact C-N 3.35Å; Y1069-D1071 PolarHBondContact O-N 2.86Å; D1071-F1073 VanDerWaalsContact C-N 3.3Å; D1071-F1073 PolarHBondContact O-N 2.91Å; D1071-H1074 PolarHBondContact O-N 2.81Å; D1071-L1075 WeakPolarHBondContact O-CB 3.43Å; D1071-L1075 PolarHBondContact O-N 2.84Å
1072	I	68.8	Low	52.6	Low	89 Å²	89	86.2 Å²	86.2	46%	0.456	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-42.3	172.2	-61.5	175.6	0	0	0	110.2	Y1069 L1075 I1076	Y1069-I1072 PolarHBondContact O-N 2.81Å; I1072-L1075 PolarHBondContact O-N 3.33Å; I1072-I1076 HydrophobicContact CG2-CD1 3.89Å; I1072-I1076 VanDerWaalsContact O-CG1 3.24Å; I1072-I1076 WeakPolarHBondContact O-CG1 3.48Å; I1072-I1076 PolarHBondContact O-N 3.23Å
1073	F	63.3	Low	53.9	Low	7 Å²	7	84.1 Å²	84.1	3%	0.031	41%	0.413	C	S	.	.	H	α-helix	trans	-69.4	-37.6	176.1	-70.7	-51.7	0	0	0	113.5	Y1069 T1070 D1071 I1076 Y1077 Y1105 M1106 Y1109 Y1110	Y1069-F1073 HydrophobicContact CD1-CE2 4.33Å; Y1069-F1073 WeakPolarHBondContact O-CD2 2.92Å; Y1069-F1073 WeakPolarHBondContact O-CG 3.19Å; Y1069-F1073 PolarHBondContact O-N 3.48Å; T1070-F1073 PolarHBondContact O-N 3.22Å; D1071-F1073 VanDerWaalsContact C-N 3.3Å; D1071-F1073 PolarHBondContact O-N 2.91Å; F1073-I1076 PolarHBondContact O-N 2.36Å; F1073-Y1077 VanDerWaalsContact O-CB 3.24Å; F1073-Y1077 WeakPolarHBondContact O-CB 3.48Å; F1073-Y1077 PolarHBondContact O-N 3.12Å; F1073-Y1105 HydrophobicContact CD1-CE1 4.36Å; F1073-M1106 HydrophobicContact CB-CE 3.45Å; F1073-M1106 VanDerWaalsContact CB-CE 3.45Å; F1073-M1106 HydrophobicContact CB-CG 4.07Å; F1073-M1106 HydrophobicContact CD2-CE 3.95Å; F1073-M1106 HydrophobicContact CD2-CG 3.82Å; F1073-M1106 HydrophobicContact CG-CE 4.09Å; F1073-M1106 HydrophobicContact CG-CG 3.97Å; F1073-Y1109 HydrophobicContact CD1-CD1 4.49Å; F1073-Y1109 AromaticContact CE1-CD1 3.24Å; F1073-Y1109 HydrophobicContact CE1-CD1 3.24Å; F1073-Y1109 HydrophobicContact CE1-CD2 4.1Å; F1073-Y1109 AromaticContact CE1-CE1 3.46Å; F1073-Y1109 HydrophobicContact CE1-CE1 3.46Å; F1073-Y1109 VanDerWaalsContact CE1-CE1 3.46Å; F1073-Y1109 HydrophobicContact CE1-CE2 4.3Å; F1073-Y1109 AromaticContact CE1-CG 3.56Å; F1073-Y1109 HydrophobicContact CE1-CG 3.56Å; F1073-Y1109 AromaticContact CE1-CZ 4Å; F1073-Y1109 AromaticContact CZ-CD1 3.3Å; F1073-Y1109 HydrophobicContact CZ-CD1 3.3Å; F1073-Y1109 AromaticContact CZ-CE1 3.48Å; F1073-Y1109 HydrophobicContact CZ-CE1 3.48Å; F1073-Y1109 VanDerWaalsContact CZ-CE1 3.48Å; F1073-Y1109 HydrophobicContact CZ-CG 4.07Å; F1073-Y1110 AromaticContact CE2-CE2 3.83Å; F1073-Y1110 HydrophobicContact CE2-CE2 3.83Å; F1073-Y1110 HydrophobicContact CZ-CE2 4.2Å
1074	H	54	Low	54.7	Low	16 Å²	16	82.2 Å²	82.2	7%	0.074	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-48	170.9	-94.6	-68	0	0	0	111.4	T1070 D1071 I1076 Y1077 C1078 F1094 H1095 L1102	T1070-H1074 PolarHBondContact O-CD2 2.88Å; T1070-H1074 PolarHBondContact O-N 2.95Å; D1071-H1074 PolarHBondContact O-N 2.81Å; H1074-I1076 PolarHBondContact O-N 3.38Å; H1074-Y1077 PolarHBondContact O-N 3.22Å; H1074-C1078 WeakPolarHBondContact O-CB 3.06Å; H1074-C1078 PolarHBondContact O-N 3.03Å; H1074-C1078 PolarHBondContact O-SG 3.05Å; H1074-C1078 VanDerWaalsContact O-SG 3.39Å; H1074-F1094 AromaticContact CE1-CD1 3.96Å; H1074-F1094 AromaticContact ND1-CD1 3.74Å; H1074-F1094 AromaticContact ND1-CE1 3.82Å; H1074-H1095 AromaticContact CE1-CD2 3.94Å; H1074-H1095 AromaticContact CE1-CG 3.93Å; H1074-H1095 AromaticContact NE2-CD2 3.07Å; H1074-H1095 PolarHBondContact NE2-CD2 3.07Å; H1074-H1095 AromaticContact NE2-CE1 3.8Å; H1074-H1095 AromaticContact NE2-CG 3.49Å; H1074-H1095 AromaticContact NE2-ND1 3.92Å; H1074-H1095 AromaticContact NE2-NE2 3.25Å; H1074-H1095 PolarHBondContact NE2-NE2 3.01Å; H1074-L1102 HydrophobicContact CB-CD1 4.47Å; H1074-L1102 VanDerWaalsContact CE1-CD2 3.42Å; H1074-L1102 WeakPolarHBondContact CE1-CD2 3.48Å; H1074-L1102 WeakPolarHBondContact NE2-CD2 3.21Å
1075	L	70	Confident	55.8	Low	72 Å²	72	78.7 Å²	78.7	38%	0.377	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-45.1	179.6	-169.4	70.7	0	0	0	111.2	D1071 I1072 C1078 L1079 I1085 L1088	D1071-L1075 WeakPolarHBondContact O-CB 3.43Å; D1071-L1075 PolarHBondContact O-N 2.84Å; I1072-L1075 PolarHBondContact O-N 3.33Å; L1075-C1078 PolarHBondContact O-N 3.32Å; L1075-L1079 HydrophobicContact CG-CD1 4.13Å; L1075-L1079 WeakPolarHBondContact O-CB 2.94Å; L1075-L1079 WeakPolarHBondContact O-CD1 3.45Å; L1075-L1079 VanDerWaalsContact O-CG 3.24Å; L1075-L1079 WeakPolarHBondContact O-CG 3.14Å; L1075-L1079 PolarHBondContact O-N 3.19Å; L1075-I1085 HydrophobicContact CD1-CD1 4.35Å; L1075-L1088 HydrophobicContact CD1-CD2 4.19Å
1076	I	73.8	Confident	56.7	Low	23 Å²	23	80 Å²	80	12%	0.118	39%	0.394	C	S	.	.	H	α-helix	trans	-64.5	-41.7	175.5	-64.6	166.1	0	0	0	111.1	F1033 I1072 F1073 H1074 L1079 K1080 Y1105	F1033-I1076 HydrophobicContact CZ-CD1 4.39Å; I1072-I1076 HydrophobicContact CG2-CD1 3.89Å; I1072-I1076 VanDerWaalsContact O-CG1 3.24Å; I1072-I1076 WeakPolarHBondContact O-CG1 3.48Å; I1072-I1076 PolarHBondContact O-N 3.23Å; F1073-I1076 PolarHBondContact O-N 2.36Å; H1074-I1076 PolarHBondContact O-N 3.38Å; I1076-L1079 PolarHBondContact O-N 3.27Å; I1076-K1080 WeakPolarHBondContact O-CB 3.48Å; I1076-K1080 PolarHBondContact O-N 2.98Å; I1076-Y1105 HydrophobicContact CB-CE1 4.49Å; I1076-Y1105 HydrophobicContact CG2-CE1 4.02Å; I1076-Y1105 WeakPolarHBondContact CG2-OH 3.23Å
1077	Y	68	Low	57	Low	27 Å²	27	72 Å²	72	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.9	177.9	-91.4	0	0	0	111.5	F1073 H1074 K1080 N1081 I1083 F1094 N1098 A1101 L1102 Y1105	F1073-Y1077 VanDerWaalsContact O-CB 3.24Å; F1073-Y1077 WeakPolarHBondContact O-CB 3.48Å; F1073-Y1077 PolarHBondContact O-N 3.12Å; H1074-Y1077 PolarHBondContact O-N 3.22Å; Y1077-K1080 PolarHBondContact O-N 2.96Å; Y1077-N1081 WeakPolarHBondContact CD2-ND2 3.28Å; Y1077-N1081 WeakPolarHBondContact CE2-ND2 3.23Å; Y1077-N1081 VanDerWaalsContact CZ-ND2 3.28Å; Y1077-N1081 WeakPolarHBondContact O-CB 3.16Å; Y1077-N1081 PolarHBondContact O-N 3Å; Y1077-N1081 PolarHBondContact O-ND2 3.44Å; Y1077-N1081 VanDerWaalsContact O-ND2 3.15Å; Y1077-I1083 HydrophobicContact CD1-CD1 4.35Å; Y1077-I1083 HydrophobicContact CE1-CD1 3.89Å; Y1077-F1094 HydrophobicContact CD1-CE1 4.15Å; Y1077-F1094 HydrophobicContact CD1-CZ 4.17Å; Y1077-F1094 HydrophobicContact CE1-CE1 4.21Å; Y1077-F1094 AromaticContact CE1-CZ 3.96Å; Y1077-F1094 HydrophobicContact CE1-CZ 3.96Å; Y1077-N1098 HydrophobicContact CE1-CB 4.24Å; Y1077-N1098 PolarHBondContact OH-OD1 3.21Å; Y1077-N1098 VanDerWaalsContact OH-OD1 3.05Å; Y1077-A1101 HydrophobicContact CE2-CB 4.1Å; Y1077-A1101 VanDerWaalsContact OH-CB 3.25Å; Y1077-A1101 WeakPolarHBondContact OH-CB 2.87Å; Y1077-L1102 HydrophobicContact CG-CD1 4.32Å; Y1077-Y1105 HydrophobicContact CD2-CG 4.37Å
1078	C	70.4	Confident	57.3	Low	1 Å²	1	69.2 Å²	69.2	1%	0.007	36%	0.359	C	S	.	.	H	α-helix	trans	-63.5	-47.2	177.2	-70.4	0	0	0	0	112.1	H1074 L1075 K1080 N1081 Q1082 I1083 F1094	H1074-C1078 WeakPolarHBondContact O-CB 3.06Å; H1074-C1078 PolarHBondContact O-N 3.03Å; H1074-C1078 PolarHBondContact O-SG 3.05Å; H1074-C1078 VanDerWaalsContact O-SG 3.39Å; L1075-C1078 PolarHBondContact O-N 3.32Å; C1078-K1080 VanDerWaalsContact C-N 3.33Å; C1078-K1080 PolarHBondContact O-N 3.33Å; C1078-N1081 PolarHBondContact O-N 3.44Å; C1078-Q1082 PolarHBondContact O-N 2.9Å; C1078-I1083 HydrophobicContact CB-CB 4.2Å; C1078-I1083 PolarHBondContact O-N 2.99Å; C1078-F1094 VanDerWaalsContact SG-CE1 3.54Å; C1078-F1094 VanDerWaalsContact SG-CZ 3.59Å
1079	L	71.6	Confident	57.1	Low	106 Å²	106	72.1 Å²	72.1	56%	0.555	38%	0.379	S	S	*	.	H	α-helix	trans	-58.2	-42.7	175.7	-76.3	167	0	0	0	112.4	L1075 I1076 Q1082 I1085	L1075-L1079 HydrophobicContact CG-CD1 4.13Å; L1075-L1079 WeakPolarHBondContact O-CB 2.94Å; L1075-L1079 WeakPolarHBondContact O-CD1 3.45Å; L1075-L1079 VanDerWaalsContact O-CG 3.24Å; L1075-L1079 WeakPolarHBondContact O-CG 3.14Å; L1075-L1079 PolarHBondContact O-N 3.19Å; I1076-L1079 PolarHBondContact O-N 3.27Å; L1079-Q1082 PolarHBondContact O-N 3.37Å; L1079-I1085 HydrophobicContact CD2-CD1 3.89Å; L1079-I1085 HydrophobicContact CG-CD1 4.36Å
1080	K	67.6	Low	57	Low	68 Å²	68	69.3 Å²	69.3	30%	0.296	38%	0.375	S	S	.	.	H	α-helix	trans	-73.6	-30.6	-175.9	-164.8	163.8	-172.2	160.6	0	112.9	F1040 I1076 Y1077 C1078 Y1105	F1040-K1080 VanDerWaalsContact CB-CE 3.46Å; F1040-K1080 VanDerWaalsContact CD2-NZ 3.26Å; I1076-K1080 WeakPolarHBondContact O-CB 3.48Å; I1076-K1080 PolarHBondContact O-N 2.98Å; Y1077-K1080 PolarHBondContact O-N 2.96Å; C1078-K1080 VanDerWaalsContact C-N 3.33Å; C1078-K1080 PolarHBondContact O-N 3.33Å; K1080-Y1105 HydrophobicContact CD-CE2 4.09Å; K1080-Y1105 PolarHBondContact NZ-OH 3.39Å; K1080-Y1105 VanDerWaalsContact NZ-OH 3.1Å
1081	N	69.7	Low	56.7	Low	82 Å²	82	69.8 Å²	69.8	44%	0.439	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.4	177.8	-64.3	-37.1	0	0	0	113.8	Y1077 C1078 I1083	Y1077-N1081 WeakPolarHBondContact CD2-ND2 3.28Å; Y1077-N1081 WeakPolarHBondContact CE2-ND2 3.23Å; Y1077-N1081 VanDerWaalsContact CZ-ND2 3.28Å; Y1077-N1081 WeakPolarHBondContact O-CB 3.16Å; Y1077-N1081 PolarHBondContact O-N 3Å; Y1077-N1081 PolarHBondContact O-ND2 3.44Å; Y1077-N1081 VanDerWaalsContact O-ND2 3.15Å; C1078-N1081 PolarHBondContact O-N 3.44Å; N1081-I1083 HydrophobicContact CB-CD1 3.79Å; N1081-I1083 HydrophobicContact CB-CG1 3.84Å; N1081-I1083 PolarHBondContact O-N 2.86Å
1082	Q	59.2	Low	56.3	Low	143 Å²	143	72 Å²	72	67%	0.668	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	27.7	-177.4	-55.3	178.5	44.9	0	0	114.1	C1078 L1079	C1078-Q1082 PolarHBondContact O-N 2.9Å; L1079-Q1082 PolarHBondContact O-N 3.37Å
1083	I	58	Low	55.3	Low	39 Å²	39	70.9 Å²	70.9	20%	0.2	39%	0.39	C	S	.	.			trans	-77.8	130	-179.1	-61.9	174.5	0	0	0	108.6	Y1077 C1078 N1081 I1085 F1094	Y1077-I1083 HydrophobicContact CD1-CD1 4.35Å; Y1077-I1083 HydrophobicContact CE1-CD1 3.89Å; C1078-I1083 HydrophobicContact CB-CB 4.2Å; C1078-I1083 PolarHBondContact O-N 2.99Å; N1081-I1083 HydrophobicContact CB-CD1 3.79Å; N1081-I1083 HydrophobicContact CB-CG1 3.84Å; N1081-I1083 PolarHBondContact O-N 2.86Å; I1083-I1085 PolarHBondContact O-N 2.86Å; I1083-F1094 HydrophobicContact CD1-CE2 4.08Å; I1083-F1094 HydrophobicContact CD1-CZ 3.71Å; I1083-F1094 HydrophobicContact CG2-CE2 3.74Å; I1083-F1094 HydrophobicContact CG2-CZ 4Å
1084	P	44.5	Very low	54.6	Low	85 Å²	85	71.7 Å²	71.7	55%	0.552	39%	0.394	S	S	*	.			trans	-56.6	120.7	-178.9	-27.3	35.6	0	0	0	112.7	N1086 C1087	P1084-N1086 PolarHBondContact O-N 3.09Å; P1084-N1086 VanDerWaalsContact O-N 3.1Å; P1084-C1087 WeakPolarHBondContact O-CB 3.36Å; P1084-C1087 PolarHBondContact O-N 3.32Å
1085	I	52.7	Low	54.6	Low	77 Å²	77	74.4 Å²	74.4	40%	0.395	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-62.1	-21.9	179.7	-61.6	175.9	0	0	0	111.4	L1075 L1079 I1083 C1087 L1088	L1075-I1085 HydrophobicContact CD1-CD1 4.35Å; L1079-I1085 HydrophobicContact CD2-CD1 3.89Å; L1079-I1085 HydrophobicContact CG-CD1 4.36Å; I1083-I1085 PolarHBondContact O-N 2.86Å; I1085-C1087 PolarHBondContact O-N 3.36Å; I1085-L1088 HydrophobicContact CG2-CD1 4.21Å; I1085-L1088 HydrophobicContact CG2-CD2 4.23Å; I1085-L1088 WeakPolarHBondContact O-CB 3.5Å; I1085-L1088 PolarHBondContact O-N 3.4Å
1086	N	49.6	Very low	53.7	Low	149 Å²	149	77.3 Å²	77.3	80%	0.797	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-59.1	-9.9	171.4	-64.6	19.3	0	0	0	114.1	P1084 S1089	P1084-N1086 PolarHBondContact O-N 3.09Å; P1084-N1086 VanDerWaalsContact O-N 3.1Å; N1086-S1089 PolarHBondContact O-OG 3.38Å; N1086-S1089 VanDerWaalsContact O-OG 3.09Å
1087	C	35.9	Very low	52.9	Low	59 Å²	59	83.5 Å²	83.5	40%	0.399	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-83.9	-12	171.3	-62.5	0	0	0	0	114.3	P1084 I1085 S1089 N1090	P1084-C1087 WeakPolarHBondContact O-CB 3.36Å; P1084-C1087 PolarHBondContact O-N 3.32Å; I1085-C1087 PolarHBondContact O-N 3.36Å; C1087-S1089 PolarHBondContact O-N 2.7Å; C1087-N1090 PolarHBondContact O-N 3.45Å
1088	L	43.1	Very low	52.4	Low	67 Å²	67	83.9 Å²	83.9	35%	0.351	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-63.7	-21.1	179.5	-93.3	66.3	0	0	0	113.3	L1075 I1085 N1090 S1091	L1075-L1088 HydrophobicContact CD1-CD2 4.19Å; I1085-L1088 HydrophobicContact CG2-CD1 4.21Å; I1085-L1088 HydrophobicContact CG2-CD2 4.23Å; I1085-L1088 WeakPolarHBondContact O-CB 3.5Å; I1085-L1088 PolarHBondContact O-N 3.4Å; L1088-N1090 PolarHBondContact O-N 2.81Å; L1088-N1090 VanDerWaalsContact O-N 3.15Å; L1088-S1091 PolarHBondContact O-N 2.88Å; L1088-S1091 VanDerWaalsContact O-N 3.09Å
1089	S	38.5	Very low	52	Low	106 Å²	106	86.7 Å²	86.7	74%	0.741	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-60.9	-16.1	171.8	51.1	0	0	0	0	113.8	N1086 C1087	N1086-S1089 PolarHBondContact O-OG 3.38Å; N1086-S1089 VanDerWaalsContact O-OG 3.09Å; C1087-S1089 PolarHBondContact O-N 2.7Å
1090	N	38.5	Very low	51.8	Low	105 Å²	105	83.3 Å²	83.3	56%	0.561	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-119.8	50.8	170.7	-105.3	-16.5	0	0	0	110.6	C1087 L1088 N1092 T1093 F1094	C1087-N1090 PolarHBondContact O-N 3.45Å; L1088-N1090 PolarHBondContact O-N 2.81Å; L1088-N1090 VanDerWaalsContact O-N 3.15Å; N1090-N1092 VanDerWaalsContact C-N 3.27Å; N1090-N1092 PolarHBondContact O-N 2.8Å; N1090-T1093 PolarHBondContact O-N 3.07Å; N1090-F1094 PolarHBondContact O-N 3.48Å
1091	S	41.9	Very low	51.7	Low	66 Å²	66	82.1 Å²	82.1	46%	0.462	47%	0.468	S	S	.	.	H	α-helix	trans	-43.8	-49.9	177.2	56.9	0	0	0	0	112.5	L1088 T1093 F1094 H1095	L1088-S1091 PolarHBondContact O-N 2.88Å; L1088-S1091 VanDerWaalsContact O-N 3.09Å; S1091-T1093 PolarHBondContact O-N 3.17Å; S1091-F1094 PolarHBondContact O-N 3.06Å; S1091-H1095 WeakPolarHBondContact O-CB 3.48Å; S1091-H1095 PolarHBondContact O-N 2.86Å
1092	N	44.4	Very low	51.6	Low	126 Å²	126	78.3 Å²	78.3	67%	0.674	45%	0.448	S	S	*	.	H	α-helix	trans	-58	-40.2	177.8	-69.4	-25.6	0	0	0	113.6	N1090 N1096	N1090-N1092 VanDerWaalsContact C-N 3.27Å; N1090-N1092 PolarHBondContact O-N 2.8Å; N1092-N1096 WeakPolarHBondContact O-CB 2.99Å; N1092-N1096 VanDerWaalsContact O-CG 3.31Å; N1092-N1096 PolarHBondContact O-N 3.09Å; N1092-N1096 VanDerWaalsContact O-N 3.16Å; N1092-N1096 PolarHBondContact O-ND2 2.85Å
1093	T	46.1	Very low	51.9	Low	65 Å²	65	76 Å²	76	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-71.7	-42.8	179.5	-37	0	0	0	0	110.9	N1090 S1091 N1096 Q1097	N1090-T1093 PolarHBondContact O-N 3.07Å; S1091-T1093 PolarHBondContact O-N 3.17Å; T1093-N1096 PolarHBondContact O-N 3.11Å; T1093-Q1097 WeakPolarHBondContact O-CG 3.49Å; T1093-Q1097 PolarHBondContact O-N 2.89Å; T1093-Q1097 VanDerWaalsContact O-N 3.1Å
1094	F	49.5	Very low	52.5	Low	24 Å²	24	78.4 Å²	78.4	11%	0.105	45%	0.453	C	S	.	.	H	α-helix	trans	-68.3	-39.7	179	-169.5	-99.3	0	0	0	112	H1074 Y1077 C1078 I1083 N1090 S1091 N1096 Q1097 N1098	H1074-F1094 AromaticContact CE1-CD1 3.96Å; H1074-F1094 AromaticContact ND1-CD1 3.74Å; H1074-F1094 AromaticContact ND1-CE1 3.82Å; Y1077-F1094 HydrophobicContact CD1-CE1 4.15Å; Y1077-F1094 HydrophobicContact CD1-CZ 4.17Å; Y1077-F1094 HydrophobicContact CE1-CE1 4.21Å; Y1077-F1094 AromaticContact CE1-CZ 3.96Å; Y1077-F1094 HydrophobicContact CE1-CZ 3.96Å; C1078-F1094 VanDerWaalsContact SG-CE1 3.54Å; C1078-F1094 VanDerWaalsContact SG-CZ 3.59Å; I1083-F1094 HydrophobicContact CD1-CE2 4.08Å; I1083-F1094 HydrophobicContact CD1-CZ 3.71Å; I1083-F1094 HydrophobicContact CG2-CE2 3.74Å; I1083-F1094 HydrophobicContact CG2-CZ 4Å; N1090-F1094 PolarHBondContact O-N 3.48Å; S1091-F1094 PolarHBondContact O-N 3.06Å; F1094-N1096 VanDerWaalsContact C-N 3.33Å; F1094-N1096 PolarHBondContact O-N 3.11Å; F1094-Q1097 PolarHBondContact O-N 2.97Å; F1094-N1098 HydrophobicContact CE1-CB 4.35Å; F1094-N1098 WeakPolarHBondContact CE2-ND2 3.47Å; F1094-N1098 HydrophobicContact CZ-CB 4.46Å; F1094-N1098 WeakPolarHBondContact CZ-ND2 3.19Å; F1094-N1098 WeakPolarHBondContact O-CB 3.38Å; F1094-N1098 PolarHBondContact O-N 3.37Å
1095	H	53.6	Low	53.6	Low	73 Å²	73	75.5 Å²	75.5	34%	0.338	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-34.3	177.1	-154.2	-29.8	0	0	0	112.1	H1074 S1091 S1099 L1102	H1074-H1095 AromaticContact CE1-CD2 3.94Å; H1074-H1095 AromaticContact CE1-CG 3.93Å; H1074-H1095 AromaticContact NE2-CD2 3.07Å; H1074-H1095 PolarHBondContact NE2-CD2 3.07Å; H1074-H1095 AromaticContact NE2-CE1 3.8Å; H1074-H1095 AromaticContact NE2-CG 3.49Å; H1074-H1095 AromaticContact NE2-ND1 3.92Å; H1074-H1095 AromaticContact NE2-NE2 3.25Å; H1074-H1095 PolarHBondContact NE2-NE2 3.01Å; S1091-H1095 WeakPolarHBondContact O-CB 3.48Å; S1091-H1095 PolarHBondContact O-N 2.86Å; H1095-S1099 VanDerWaalsContact O-CA 3.26Å; H1095-S1099 WeakPolarHBondContact O-CA 3.41Å; H1095-S1099 VanDerWaalsContact O-CB 3.22Å; H1095-S1099 WeakPolarHBondContact O-CB 3.43Å; H1095-S1099 PolarHBondContact O-N 3Å; H1095-L1102 VanDerWaalsContact CE1-CD2 3.49Å; H1095-L1102 WeakPolarHBondContact CE1-CD2 3.3Å
1096	N	52.6	Low	54	Low	132 Å²	132	73.2 Å²	73.2	71%	0.706	42%	0.42	S	S	*	.	H	α-helix	trans	-71.5	-39.9	173.5	-78.1	-19.3	0	0	0	112.8	N1092 T1093 F1094	N1092-N1096 WeakPolarHBondContact O-CB 2.99Å; N1092-N1096 VanDerWaalsContact O-CG 3.31Å; N1092-N1096 PolarHBondContact O-N 3.09Å; N1092-N1096 VanDerWaalsContact O-N 3.16Å; N1092-N1096 PolarHBondContact O-ND2 2.85Å; T1093-N1096 PolarHBondContact O-N 3.11Å; F1094-N1096 VanDerWaalsContact C-N 3.33Å; F1094-N1096 PolarHBondContact O-N 3.11Å
1097	Q	55.3	Low	55.1	Low	153 Å²	153	71.8 Å²	71.8	72%	0.715	41%	0.406	S	S	*	.	H	α-helix	trans	-76.6	-30.9	-179.4	-71.8	-179	-7.8	0	0	113.9	T1093 F1094	T1093-Q1097 WeakPolarHBondContact O-CG 3.49Å; T1093-Q1097 PolarHBondContact O-N 2.89Å; T1093-Q1097 VanDerWaalsContact O-N 3.1Å; F1094-Q1097 PolarHBondContact O-N 2.97Å
1098	N	57.3	Low	56.6	Low	36 Å²	36	71.5 Å²	71.5	19%	0.193	41%	0.405	C	S	.	.	H	α-helix	trans	-111.3	9.1	-177.3	-73.5	-78.5	0	0	0	114.5	Y1077 F1094 G1100 A1101 L1102	Y1077-N1098 HydrophobicContact CE1-CB 4.24Å; Y1077-N1098 PolarHBondContact OH-OD1 3.21Å; Y1077-N1098 VanDerWaalsContact OH-OD1 3.05Å; F1094-N1098 HydrophobicContact CE1-CB 4.35Å; F1094-N1098 WeakPolarHBondContact CE2-ND2 3.47Å; F1094-N1098 HydrophobicContact CZ-CB 4.46Å; F1094-N1098 WeakPolarHBondContact CZ-ND2 3.19Å; F1094-N1098 WeakPolarHBondContact O-CB 3.38Å; F1094-N1098 PolarHBondContact O-N 3.37Å; N1098-G1100 PolarHBondContact O-N 3.43Å; N1098-A1101 PolarHBondContact O-N 3.1Å; N1098-L1102 WeakPolarHBondContact O-CB 3.29Å; N1098-L1102 PolarHBondContact O-N 3.12Å
1099	S	62	Low	57.8	Low	60 Å²	60	71.6 Å²	71.6	42%	0.42	40%	0.401	S	S	.	.	H	α-helix	trans	-42.9	-60.4	-175.9	50.6	0	0	0	0	113.6	H1095 A1101 L1102 E1103	H1095-S1099 VanDerWaalsContact O-CA 3.26Å; H1095-S1099 WeakPolarHBondContact O-CA 3.41Å; H1095-S1099 VanDerWaalsContact O-CB 3.22Å; H1095-S1099 WeakPolarHBondContact O-CB 3.43Å; H1095-S1099 PolarHBondContact O-N 3Å; S1099-A1101 VanDerWaalsContact C-N 3.33Å; S1099-A1101 PolarHBondContact O-N 3.44Å; S1099-L1102 PolarHBondContact O-N 2.8Å; S1099-E1103 VanDerWaalsContact O-CB 3.27Å; S1099-E1103 WeakPolarHBondContact O-CB 3.37Å; S1099-E1103 PolarHBondContact O-N 3.44Å
1100	G	68	Low	59	Low	35 Å²	35	71.6 Å²	71.6	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-28.3	-178.3	0	0	0	0	0	114.5	N1098 T1104	N1098-G1100 PolarHBondContact O-N 3.43Å; G1100-T1104 VanDerWaalsContact O-CB 3.26Å; G1100-T1104 WeakPolarHBondContact O-CB 3.28Å; G1100-T1104 PolarHBondContact O-N 3.48Å; G1100-T1104 PolarHBondContact O-OG1 3.12Å
1101	A	66.6	Low	60.3	Low	43 Å²	43	72.2 Å²	72.2	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-75.4	-41.4	176.7	0	0	0	0	0	111.5	Y1077 N1098 S1099 T1104 Y1105	Y1077-A1101 HydrophobicContact CE2-CB 4.1Å; Y1077-A1101 VanDerWaalsContact OH-CB 3.25Å; Y1077-A1101 WeakPolarHBondContact OH-CB 2.87Å; N1098-A1101 PolarHBondContact O-N 3.1Å; S1099-A1101 VanDerWaalsContact C-N 3.33Å; S1099-A1101 PolarHBondContact O-N 3.44Å; A1101-T1104 PolarHBondContact O-N 3.35Å; A1101-Y1105 WeakPolarHBondContact O-CB 3.31Å; A1101-Y1105 PolarHBondContact O-N 3.46Å
1102	L	65.9	Low	61.3	Low	2 Å²	2	71.3 Å²	71.3	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-64.6	-46.2	172.4	-175.2	84	0	0	0	111.4	H1074 Y1077 H1095 N1098 S1099 T1104 Y1105 M1106	H1074-L1102 HydrophobicContact CB-CD1 4.47Å; H1074-L1102 VanDerWaalsContact CE1-CD2 3.42Å; H1074-L1102 WeakPolarHBondContact CE1-CD2 3.48Å; H1074-L1102 WeakPolarHBondContact NE2-CD2 3.21Å; Y1077-L1102 HydrophobicContact CG-CD1 4.32Å; H1095-L1102 VanDerWaalsContact CE1-CD2 3.49Å; H1095-L1102 WeakPolarHBondContact CE1-CD2 3.3Å; N1098-L1102 WeakPolarHBondContact O-CB 3.29Å; N1098-L1102 PolarHBondContact O-N 3.12Å; S1099-L1102 PolarHBondContact O-N 2.8Å; L1102-T1104 VanDerWaalsContact C-N 3.31Å; L1102-T1104 PolarHBondContact O-N 3.41Å; L1102-Y1105 CarbonylContact O-C 3.07Å; L1102-Y1105 WeakPolarHBondContact O-CA 3.24Å; L1102-Y1105 WeakPolarHBondContact O-CB 3.21Å; L1102-Y1105 PolarHBondContact O-N 3.36Å; L1102-Y1105 VanDerWaalsContact O-N 3.08Å; L1102-M1106 HydrophobicContact CD1-CE 3.87Å; L1102-M1106 HydrophobicContact CD2-CE 3.47Å; L1102-M1106 VanDerWaalsContact CD2-CE 3.47Å; L1102-M1106 HydrophobicContact CD2-SD 4.12Å; L1102-M1106 HydrophobicContact CG-CE 3.48Å; L1102-M1106 VanDerWaalsContact CG-CE 3.48Å; L1102-M1106 HydrophobicContact CG-SD 3.99Å; L1102-M1106 WeakPolarHBondContact O-CG 3.15Å; L1102-M1106 PolarHBondContact O-N 2.73Å
1103	E	66.9	Low	62.2	Low	95 Å²	95	68.6 Å²	68.6	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-41.5	177.1	-170.6	-166.7	166.6	0	0	111	S1099 Y1105 M1106 K1107	S1099-E1103 VanDerWaalsContact O-CB 3.27Å; S1099-E1103 WeakPolarHBondContact O-CB 3.37Å; S1099-E1103 PolarHBondContact O-N 3.44Å; E1103-Y1105 VanDerWaalsContact C-N 3.34Å; E1103-M1106 PolarHBondContact O-N 3.47Å; E1103-K1107 HydrophobicContact CG-CD 4.3Å; E1103-K1107 WeakPolarHBondContact O-CB 3.43Å; E1103-K1107 VanDerWaalsContact O-CG 3.31Å; E1103-K1107 WeakPolarHBondContact O-CG 3.33Å; E1103-K1107 PolarHBondContact O-N 3.26Å; E1103-K1107 WeakPolarHBondContact OE1-CE 3.46Å; E1103-K1107 IonicContact OE1-NZ 3.69Å; E1103-K1107 PolarHBondContact OE1-NZ 2.59Å
1104	T	70.1	Confident	62.8	Low	88 Å²	88	69.4 Å²	69.4	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-41.3	172.5	-60.8	0	0	0	0	111.5	G1100 A1101 L1102 S1108	G1100-T1104 VanDerWaalsContact O-CB 3.26Å; G1100-T1104 WeakPolarHBondContact O-CB 3.28Å; G1100-T1104 PolarHBondContact O-N 3.48Å; G1100-T1104 PolarHBondContact O-OG1 3.12Å; A1101-T1104 PolarHBondContact O-N 3.35Å; L1102-T1104 VanDerWaalsContact C-N 3.31Å; L1102-T1104 PolarHBondContact O-N 3.41Å; T1104-S1108 WeakPolarHBondContact O-CB 3.35Å; T1104-S1108 PolarHBondContact O-N 3.36Å; T1104-S1108 PolarHBondContact O-OG 3.1Å
1105	Y	67.2	Low	63.2	Low	24 Å²	24	74.3 Å²	74.3	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-45	176	-173.2	-112	0	0	0	112.5	F1073 I1076 Y1077 K1080 A1101 L1102 E1103 S1108 Y1109	F1073-Y1105 HydrophobicContact CD1-CE1 4.36Å; I1076-Y1105 HydrophobicContact CB-CE1 4.49Å; I1076-Y1105 HydrophobicContact CG2-CE1 4.02Å; I1076-Y1105 WeakPolarHBondContact CG2-OH 3.23Å; Y1077-Y1105 HydrophobicContact CD2-CG 4.37Å; K1080-Y1105 HydrophobicContact CD-CE2 4.09Å; K1080-Y1105 PolarHBondContact NZ-OH 3.39Å; K1080-Y1105 VanDerWaalsContact NZ-OH 3.1Å; A1101-Y1105 WeakPolarHBondContact O-CB 3.31Å; A1101-Y1105 PolarHBondContact O-N 3.46Å; L1102-Y1105 CarbonylContact O-C 3.07Å; L1102-Y1105 WeakPolarHBondContact O-CA 3.24Å; L1102-Y1105 WeakPolarHBondContact O-CB 3.21Å; L1102-Y1105 PolarHBondContact O-N 3.36Å; L1102-Y1105 VanDerWaalsContact O-N 3.08Å; E1103-Y1105 VanDerWaalsContact C-N 3.34Å; Y1105-S1108 WeakPolarHBondContact O-CB 3.49Å; Y1105-S1108 PolarHBondContact O-N 3.04Å; Y1105-Y1109 PolarHBondContact O-N 2.97Å
1106	M	62.3	Low	63.3	Low	30 Å²	30	77.4 Å²	77.4	15%	0.148	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-49.7	175.8	-71.8	165.8	174.7	0	0	111.7	T1070 F1073 L1102 E1103 S1108 Y1109 Y1110	T1070-M1106 HydrophobicContact CG2-CE 3.56Å; T1070-M1106 HydrophobicContact CG2-SD 4.21Å; F1073-M1106 HydrophobicContact CB-CE 3.45Å; F1073-M1106 VanDerWaalsContact CB-CE 3.45Å; F1073-M1106 HydrophobicContact CB-CG 4.07Å; F1073-M1106 HydrophobicContact CD2-CE 3.95Å; F1073-M1106 HydrophobicContact CD2-CG 3.82Å; F1073-M1106 HydrophobicContact CG-CE 4.09Å; F1073-M1106 HydrophobicContact CG-CG 3.97Å; L1102-M1106 HydrophobicContact CD1-CE 3.87Å; L1102-M1106 HydrophobicContact CD2-CE 3.47Å; L1102-M1106 VanDerWaalsContact CD2-CE 3.47Å; L1102-M1106 HydrophobicContact CD2-SD 4.12Å; L1102-M1106 HydrophobicContact CG-CE 3.48Å; L1102-M1106 VanDerWaalsContact CG-CE 3.48Å; L1102-M1106 HydrophobicContact CG-SD 3.99Å; L1102-M1106 WeakPolarHBondContact O-CG 3.15Å; L1102-M1106 PolarHBondContact O-N 2.73Å; E1103-M1106 PolarHBondContact O-N 3.47Å; M1106-S1108 VanDerWaalsContact C-N 3.29Å; M1106-S1108 PolarHBondContact O-N 2.73Å; M1106-Y1109 PolarHBondContact O-N 2.97Å; M1106-Y1109 VanDerWaalsContact O-N 3.15Å; M1106-Y1110 WeakPolarHBondContact O-CD2 3.48Å; M1106-Y1110 PolarHBondContact O-N 2.79Å
1107	K	72.1	Confident	63.1	Low	119 Å²	119	77.5 Å²	77.5	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-56.7	-43.4	175.2	-75.3	174	179.4	174	0	111.5	E1103 L1111	E1103-K1107 HydrophobicContact CG-CD 4.3Å; E1103-K1107 WeakPolarHBondContact O-CB 3.43Å; E1103-K1107 VanDerWaalsContact O-CG 3.31Å; E1103-K1107 WeakPolarHBondContact O-CG 3.33Å; E1103-K1107 PolarHBondContact O-N 3.26Å; E1103-K1107 WeakPolarHBondContact OE1-CE 3.46Å; E1103-K1107 IonicContact OE1-NZ 3.69Å; E1103-K1107 PolarHBondContact OE1-NZ 2.59Å; K1107-L1111 VanDerWaalsContact O-CB 3.29Å; K1107-L1111 WeakPolarHBondContact O-CB 3.38Å; K1107-L1111 WeakPolarHBondContact O-CD1 3.5Å; K1107-L1111 VanDerWaalsContact O-CG 3.32Å; K1107-L1111 WeakPolarHBondContact O-CG 3.23Å; K1107-L1111 PolarHBondContact O-N 3.09Å
1108	S	66.7	Low	62.9	Low	52 Å²	52	77.5 Å²	77.5	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-43.7	176	-55.5	0	0	0	0	112.2	T1104 Y1105 M1106 E1112	T1104-S1108 WeakPolarHBondContact O-CB 3.35Å; T1104-S1108 PolarHBondContact O-N 3.36Å; T1104-S1108 PolarHBondContact O-OG 3.1Å; Y1105-S1108 WeakPolarHBondContact O-CB 3.49Å; Y1105-S1108 PolarHBondContact O-N 3.04Å; M1106-S1108 VanDerWaalsContact C-N 3.29Å; M1106-S1108 PolarHBondContact O-N 2.73Å; S1108-E1112 WeakPolarHBondContact O-CB 3.4Å; S1108-E1112 PolarHBondContact O-N 3.15Å
1109	Y	68.3	Low	62.5	Low	70 Å²	70	80 Å²	80	28%	0.275	40%	0.4	S	S	.	.	H	α-helix	trans	-69.7	-42.1	179.7	-176.9	-89	0	0	0	112.8	F1073 Y1105 M1106 E1112 L1113	F1073-Y1109 HydrophobicContact CD1-CD1 4.49Å; F1073-Y1109 AromaticContact CE1-CD1 3.24Å; F1073-Y1109 HydrophobicContact CE1-CD1 3.24Å; F1073-Y1109 HydrophobicContact CE1-CD2 4.1Å; F1073-Y1109 AromaticContact CE1-CE1 3.46Å; F1073-Y1109 HydrophobicContact CE1-CE1 3.46Å; F1073-Y1109 VanDerWaalsContact CE1-CE1 3.46Å; F1073-Y1109 HydrophobicContact CE1-CE2 4.3Å; F1073-Y1109 AromaticContact CE1-CG 3.56Å; F1073-Y1109 HydrophobicContact CE1-CG 3.56Å; F1073-Y1109 AromaticContact CE1-CZ 4Å; F1073-Y1109 AromaticContact CZ-CD1 3.3Å; F1073-Y1109 HydrophobicContact CZ-CD1 3.3Å; F1073-Y1109 AromaticContact CZ-CE1 3.48Å; F1073-Y1109 HydrophobicContact CZ-CE1 3.48Å; F1073-Y1109 VanDerWaalsContact CZ-CE1 3.48Å; F1073-Y1109 HydrophobicContact CZ-CG 4.07Å; Y1105-Y1109 PolarHBondContact O-N 2.97Å; M1106-Y1109 PolarHBondContact O-N 2.97Å; M1106-Y1109 VanDerWaalsContact O-N 3.15Å; Y1109-E1112 PolarHBondContact O-N 3.15Å; Y1109-L1113 HydrophobicContact CD1-CD1 3.85Å; Y1109-L1113 HydrophobicContact CD1-CG 4.24Å; Y1109-L1113 HydrophobicContact CE1-CD1 3.43Å; Y1109-L1113 VanDerWaalsContact CE1-CD1 3.43Å; Y1109-L1113 HydrophobicContact CE1-CG 3.89Å; Y1109-L1113 PolarHBondContact O-N 2.81Å
1110	Y	64.2	Low	61.5	Low	106 Å²	106	81.1 Å²	81.1	42%	0.416	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-38.6	174.5	-88.7	-78.6	0	0	0	112.1	F1073 M1106 E1112 L1113 L1114	F1073-Y1110 AromaticContact CE2-CE2 3.83Å; F1073-Y1110 HydrophobicContact CE2-CE2 3.83Å; F1073-Y1110 HydrophobicContact CZ-CE2 4.2Å; M1106-Y1110 WeakPolarHBondContact O-CD2 3.48Å; M1106-Y1110 PolarHBondContact O-N 2.79Å; Y1110-E1112 VanDerWaalsContact C-N 3.32Å; Y1110-E1112 PolarHBondContact O-N 3.05Å; Y1110-L1113 HydrophobicContact CD1-CD1 4.42Å; Y1110-L1113 PolarHBondContact O-N 3.25Å; Y1110-L1114 WeakPolarHBondContact O-CB 3.33Å; Y1110-L1114 VanDerWaalsContact O-CG 3.26Å; Y1110-L1114 WeakPolarHBondContact O-CG 3.48Å; Y1110-L1114 PolarHBondContact O-N 3.08Å
1111	L	66.4	Low	60.2	Low	118 Å²	118	83.7 Å²	83.7	62%	0.618	41%	0.414	S	S	*	.	H	α-helix	trans	-61.5	-39.4	170.9	-80.9	164.3	0	0	0	111.8	K1107 L1114 R1115	K1107-L1111 VanDerWaalsContact O-CB 3.29Å; K1107-L1111 WeakPolarHBondContact O-CB 3.38Å; K1107-L1111 WeakPolarHBondContact O-CD1 3.5Å; K1107-L1111 VanDerWaalsContact O-CG 3.32Å; K1107-L1111 WeakPolarHBondContact O-CG 3.23Å; K1107-L1111 PolarHBondContact O-N 3.09Å; L1111-L1114 PolarHBondContact O-N 3.26Å; L1111-R1115 VanDerWaalsContact O-CB 3.26Å; L1111-R1115 WeakPolarHBondContact O-CB 3.27Å; L1111-R1115 PolarHBondContact O-N 3.09Å
1112	E	61.3	Low	59	Low	47 Å²	47	86.6 Å²	86.6	22%	0.22	43%	0.431	C	S	.	.	H	α-helix	trans	-70.2	-39	177.1	-163.4	60.4	-132.8	0	0	112.5	S1108 Y1109 Y1110 R1115 H1116	S1108-E1112 WeakPolarHBondContact O-CB 3.4Å; S1108-E1112 PolarHBondContact O-N 3.15Å; Y1109-E1112 PolarHBondContact O-N 3.15Å; Y1110-E1112 VanDerWaalsContact C-N 3.32Å; Y1110-E1112 PolarHBondContact O-N 3.05Å; E1112-R1115 PolarHBondContact O-N 2.98Å; E1112-R1115 IonicContact OE1-CZ 3.55Å; E1112-R1115 IonicContact OE1-NE 4Å; E1112-R1115 PolarHBondContact OE1-NE 3.44Å; E1112-R1115 IonicContact OE1-NH2 3.16Å; E1112-R1115 PolarHBondContact OE1-NH2 2.91Å; E1112-R1115 IonicContact OE2-CZ 2.89Å; E1112-R1115 IonicContact OE2-NE 2.72Å; E1112-R1115 PolarHBondContact OE2-NE 3.13Å; E1112-R1115 IonicContact OE2-NH1 2.79Å; E1112-R1115 IonicContact OE2-NH2 3.12Å; E1112-R1115 PolarHBondContact OE2-NH2 3.4Å; E1112-H1116 WeakPolarHBondContact O-CB 3.04Å; E1112-H1116 PolarHBondContact O-CD2 3.28Å; E1112-H1116 VanDerWaalsContact O-CD2 3.23Å; E1112-H1116 PolarHBondContact O-N 3.04Å; E1112-H1116 IonicContact OE1-CD2 3.44Å; E1112-H1116 IonicContact OE1-NE2 3.83Å
1113	L	64.7	Low	57.7	Low	69 Å²	69	91.2 Å²	91.2	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-58	-50.4	169.6	-86.8	175.1	0	0	0	111.5	Y1109 Y1110 R1115 H1116 Q1117	Y1109-L1113 HydrophobicContact CD1-CD1 3.85Å; Y1109-L1113 HydrophobicContact CD1-CG 4.24Å; Y1109-L1113 HydrophobicContact CE1-CD1 3.43Å; Y1109-L1113 VanDerWaalsContact CE1-CD1 3.43Å; Y1109-L1113 HydrophobicContact CE1-CG 3.89Å; Y1109-L1113 PolarHBondContact O-N 2.81Å; Y1110-L1113 HydrophobicContact CD1-CD1 4.42Å; Y1110-L1113 PolarHBondContact O-N 3.25Å; L1113-R1115 VanDerWaalsContact C-N 3.3Å; L1113-R1115 PolarHBondContact O-N 3.28Å; L1113-H1116 PolarHBondContact O-N 3.16Å; L1113-H1116 VanDerWaalsContact O-N 3.13Å; L1113-Q1117 WeakPolarHBondContact O-CB 2.99Å; L1113-Q1117 PolarHBondContact O-N 3.39Å
1114	L	58.1	Low	56.2	Low	82 Å²	82	91.8 Å²	91.8	43%	0.429	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-36.1	178.2	-69.9	170.5	0	0	0	111.7	Y1110 L1111 Q1117 Y1118	Y1110-L1114 WeakPolarHBondContact O-CB 3.33Å; Y1110-L1114 VanDerWaalsContact O-CG 3.26Å; Y1110-L1114 WeakPolarHBondContact O-CG 3.48Å; Y1110-L1114 PolarHBondContact O-N 3.08Å; L1111-L1114 PolarHBondContact O-N 3.26Å; L1114-Q1117 PolarHBondContact O-N 3.44Å; L1114-Y1118 HydrophobicContact CD2-CD2 3.77Å; L1114-Y1118 HydrophobicContact CD2-CE2 3.9Å; L1114-Y1118 WeakPolarHBondContact O-CB 3.4Å; L1114-Y1118 PolarHBondContact O-N 3.15Å
1115	R	58.2	Low	54.7	Low	126 Å²	126	92 Å²	92	48%	0.475	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-37.5	173.1	-169.3	169.6	79.2	165.7	3.1	112.2	L1111 E1112 L1113	L1111-R1115 VanDerWaalsContact O-CB 3.26Å; L1111-R1115 WeakPolarHBondContact O-CB 3.27Å; L1111-R1115 PolarHBondContact O-N 3.09Å; E1112-R1115 PolarHBondContact O-N 2.98Å; E1112-R1115 IonicContact OE1-CZ 3.55Å; E1112-R1115 IonicContact OE1-NE 4Å; E1112-R1115 PolarHBondContact OE1-NE 3.44Å; E1112-R1115 IonicContact OE1-NH2 3.16Å; E1112-R1115 PolarHBondContact OE1-NH2 2.91Å; E1112-R1115 IonicContact OE2-CZ 2.89Å; E1112-R1115 IonicContact OE2-NE 2.72Å; E1112-R1115 PolarHBondContact OE2-NE 3.13Å; E1112-R1115 IonicContact OE2-NH1 2.79Å; E1112-R1115 IonicContact OE2-NH2 3.12Å; E1112-R1115 PolarHBondContact OE2-NH2 3.4Å; L1113-R1115 VanDerWaalsContact C-N 3.3Å; L1113-R1115 PolarHBondContact O-N 3.28Å
1116	H	55.4	Low	53.3	Low	139 Å²	139	94.6 Å²	94.6	64%	0.644	49%	0.485	S	S	*	.	H	α-helix	trans	-72.2	-28.6	174.2	-81	-53	0	0	0	114	E1112 L1113	E1112-H1116 WeakPolarHBondContact O-CB 3.04Å; E1112-H1116 PolarHBondContact O-CD2 3.28Å; E1112-H1116 VanDerWaalsContact O-CD2 3.23Å; E1112-H1116 PolarHBondContact O-N 3.04Å; E1112-H1116 IonicContact OE1-CD2 3.44Å; E1112-H1116 IonicContact OE1-NE2 3.83Å; L1113-H1116 PolarHBondContact O-N 3.16Å; L1113-H1116 VanDerWaalsContact O-N 3.13Å
1117	Q	49.3	Very low	52.1	Low	133 Å²	133	98.4 Å²	98.4	62%	0.621	51%	0.51	S	S	*	.	H	α-helix	trans	-102.2	-26.8	-172.1	-169.3	166.5	-11.9	0	0	114.5	L1113 L1114	L1113-Q1117 WeakPolarHBondContact O-CB 2.99Å; L1113-Q1117 PolarHBondContact O-N 3.39Å; L1114-Q1117 PolarHBondContact O-N 3.44Å
1118	Y	49.8	Very low	50.2	Low	154 Å²	154	98.1 Å²	98.1	60%	0.604	51%	0.511	S	S	*	.	H	α-helix	trans	-126.8	9.8	-173.8	-64.2	-81.5	0	0	0	114.8	L1114 V1120	L1114-Y1118 HydrophobicContact CD2-CD2 3.77Å; L1114-Y1118 HydrophobicContact CD2-CE2 3.9Å; L1114-Y1118 WeakPolarHBondContact O-CB 3.4Å; L1114-Y1118 PolarHBondContact O-N 3.15Å; Y1118-V1120 PolarHBondContact O-N 2.82Å
1119	D	49	Very low	48.5	Very low	89 Å²	89	107.5 Å²	107.5	48%	0.476	54%	0.538	S	S	.	.			trans	54.1	24.5	172.9	-136.2	-35.8	0	0	0	115.1	R373	R373-D1119 IonicContact CZ-OD1 3.96Å; R373-D1119 IonicContact NE-OD1 2.66Å; R373-D1119 PolarHBondContact NE-OD1 3.21Å; R373-D1119 IonicContact NH2-OD1 2.83Å; R373-D1119 PolarHBondContact NH2-OD1 3.47Å
1120	V	41.7	Very low	46.7	Very low	83 Å²	83	110 Å²	110	50%	0.503	56%	0.555	S	S	.	*			trans	-59.7	127	-174.7	-175.6	0	0	0	0	110.9	Y1118	Y1118-V1120 PolarHBondContact O-N 2.82Å
1121	P	41	Very low	45.1	Very low	89 Å²	89	109.3 Å²	109.3	58%	0.578	56%	0.563	S	S	*	*			trans	-62.5	139.5	178.1	-23.4	34.1	0	0	0	113.1	T1123	P1121-T1123 VanDerWaalsContact C-N 3.35Å; P1121-T1123 PolarHBondContact O-N 2.98Å
1122	S	39.7	Very low	43.6	Very low	103 Å²	103	109 Å²	109	72%	0.72	57%	0.566	S	S	*	*			trans	-75	83.5	170.7	56.8	0	0	0	0	111.1
1123	T	39.4	Very low	42.3	Very low	99 Å²	99	111.8 Å²	111.8	61%	0.607	59%	0.587	S	S	*	*			trans	-90.3	131.6	162.9	43	0	0	0	0	110.1	P1121 L1125	P1121-T1123 VanDerWaalsContact C-N 3.35Å; P1121-T1123 PolarHBondContact O-N 2.98Å; T1123-L1125 VanDerWaalsContact O-CD1 3.31Å; T1123-L1125 WeakPolarHBondContact O-CD1 3.33Å; T1123-L1125 PolarHBondContact O-N 3.41Å; T1123-L1125 WeakPolarHBondContact OG1-CD1 3.48Å
1124	D	36.3	Very low	40.9	Very low	108 Å²	108	116 Å²	116	58%	0.578	61%	0.609	S	S	*	*			trans	-69.9	84.9	179	-69.3	-47.3	0	0	0	112.1	S1126	D1124-S1126 PolarHBondContact O-N 2.89Å
1125	L	38.5	Very low	39.7	Very low	92 Å²	92	115.4 Å²	115.4	48%	0.482	61%	0.611	S	S	.	*			trans	-75.2	55.9	171.4	-84.8	77.8	0	0	0	111.6	T1123 I1130	T1123-L1125 VanDerWaalsContact O-CD1 3.31Å; T1123-L1125 WeakPolarHBondContact O-CD1 3.33Å; T1123-L1125 PolarHBondContact O-N 3.41Å; T1123-L1125 WeakPolarHBondContact OG1-CD1 3.48Å; L1125-I1130 HydrophobicContact CD2-CG1 3.92Å
1126	S	38.1	Very low	38.3	Very low	79 Å²	79	112.9 Å²	112.9	55%	0.552	61%	0.612	S	S	*	*	S	Bend	trans	-89.2	-7.8	168.3	67.3	0	0	0	0	113.2	D1124	D1124-S1126 PolarHBondContact O-N 2.89Å
1127	T	35.5	Very low	37.2	Very low	109 Å²	109	111 Å²	111	67%	0.669	62%	0.615	S	S	*	*	S	Bend	trans	-143.5	-1.2	-169.9	6	0	0	0	0	115.7
1128	Q	32.7	Very low	36.5	Very low	114 Å²	114	111 Å²	111	53%	0.533	62%	0.618	S	S	.	*	S	Bend	trans	-108.9	130.5	175.3	-76.3	-177.7	-20	0	0	110.7	I1130	Q1128-I1130 PolarHBondContact O-N 3.06Å; Q1128-I1130 VanDerWaalsContact O-N 3.15Å
1129	R	31	Very low	35.8	Very low	249 Å²	249	111.2 Å²	111.2	94%	0.94	62%	0.624	S	S	*	*			trans	-62.4	114.2	171.8	-71	179.4	176.4	171.5	-1.8	108.7
1130	I	31	Very low	35	Very low	122 Å²	122	115.9 Å²	115.9	63%	0.626	64%	0.64	S	S	*	*			trans	-55.9	134.8	167.2	-62.8	171.1	0	0	0	107.6	L1125 Q1128 T1132	L1125-I1130 HydrophobicContact CD2-CG1 3.92Å; Q1128-I1130 PolarHBondContact O-N 3.06Å; Q1128-I1130 VanDerWaalsContact O-N 3.15Å; I1130-T1132 PolarHBondContact O-N 3.11Å
1131	P	29.4	Very low	34.7	Very low	91 Å²	91	120.1 Å²	120.1	59%	0.591	65%	0.654	S	S	*	*			trans	-56.3	115	177.1	-26.1	35.2	0	0	0	111	T1133 L1134	P1131-T1133 PolarHBondContact O-N 2.75Å; P1131-T1133 VanDerWaalsContact O-N 3.08Å; P1131-L1134 PolarHBondContact O-N 3.05Å
1132	T	35	Very low	34.1	Very low	112 Å²	112	122.8 Å²	122.8	69%	0.687	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-63.4	-16.1	-178	43.7	0	0	0	0	113	I1130 L1134 C1135 S1136	I1130-T1132 PolarHBondContact O-N 3.11Å; T1132-L1134 VanDerWaalsContact C-N 3.27Å; T1132-L1134 PolarHBondContact O-N 2.62Å; T1132-C1135 PolarHBondContact O-N 2.76Å; T1132-S1136 PolarHBondContact O-N 3.05Å; T1132-S1136 PolarHBondContact O-OG 2.8Å
1133	T	33.8	Very low	33.8	Very low	105 Å²	105	126.2 Å²	126.2	64%	0.644	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-58.5	-27.9	178.5	48.9	0	0	0	0	114.7	P1131	P1131-T1133 PolarHBondContact O-N 2.75Å; P1131-T1133 VanDerWaalsContact O-N 3.08Å
1134	L	35.4	Very low	33.2	Very low	159 Å²	159	129.9 Å²	129.9	83%	0.832	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-86.5	-10.7	174.4	-113.1	75.5	0	0	0	114	P1131 T1132	P1131-L1134 PolarHBondContact O-N 3.05Å; T1132-L1134 VanDerWaalsContact C-N 3.27Å; T1132-L1134 PolarHBondContact O-N 2.62Å
1135	C	33.6	Very low	32.8	Very low	69 Å²	69	130.2 Å²	130.2	47%	0.466	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.5	-15.5	-176.7	-151.2	0	0	0	0	113	T1132 S1137 I1138	T1132-C1135 PolarHBondContact O-N 2.76Å; C1135-S1137 PolarHBondContact O-N 2.94Å; C1135-S1137 VanDerWaalsContact O-N 3.15Å; C1135-I1138 PolarHBondContact O-N 2.86Å
1136	S	29.6	Very low	32.3	Very low	72 Å²	72	132.2 Å²	132.2	50%	0.503	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	-26.3	-175	-55.4	0	0	0	0	115.2	T1132	T1132-S1136 PolarHBondContact O-N 3.05Å; T1132-S1136 PolarHBondContact O-OG 2.8Å
1137	S	32.6	Very low	31.8	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-15.9	-172.4	-50.5	0	0	0	0	114.6	C1135	C1135-S1137 PolarHBondContact O-N 2.94Å; C1135-S1137 VanDerWaalsContact O-N 3.15Å
1138	I	33.9	Very low	31.8	Very low	132 Å²	132	139.1 Å²	139.1	68%	0.677	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-17.2	-179.5	-60.3	174.4	0	0	0	111	C1135 K1140	C1135-I1138 PolarHBondContact O-N 2.86Å; I1138-K1140 VanDerWaalsContact C-N 3.33Å; I1138-K1140 PolarHBondContact O-N 3.43Å
1139	H	34.5	Very low	31.9	Very low	159 Å²	159	142.9 Å²	142.9	74%	0.736	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	10.4	-175.6	-103.7	-70.7	0	0	0	115.4
1140	K	33.5	Very low	31.9	Very low	186 Å²	186	135.3 Å²	135.3	81%	0.809	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-1.8	-171.6	-85.1	-165.9	168.7	-167.2	0	117	I1138	I1138-K1140 VanDerWaalsContact C-N 3.33Å; I1138-K1140 PolarHBondContact O-N 3.43Å
1141	E	33.6	Very low	31.9	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	71%	0.711	S	S	*	*	S	Bend	trans	-113.2	7.2	-174.6	-63.5	-174.9	144.5	0	0	114.2
1142	N	30.3	Very low	32.1	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	72%	0.719	S	S	*	*			trans	-117.1	39.2	-175.7	-76.8	-49.2	0	0	0	114
1143	E	31.4	Very low	32.2	Very low	175 Å²	175	138.1 Å²	138.1	82%	0.818	72%	0.717	S	S	*	*	S	Bend	trans	-76	153.4	157.9	-73.5	-164.6	136.6	0	0	110.5	V1145	E1143-V1145 PolarHBondContact O-N 2.96Å
1144	L	27	Very low	32.1	Very low	175 Å²	175	140.7 Å²	140.7	92%	0.916	73%	0.726	S	S	*	*			trans	-72.1	85	-165.9	-77.4	71.4	0	0	0	113.5	N1146	L1144-N1146 PolarHBondContact O-N 3.08Å; L1144-N1146 VanDerWaalsContact O-N 3.12Å
1145	V	29.4	Very low	32	Very low	115 Å²	115	141.9 Å²	141.9	70%	0.697	73%	0.727	S	S	*	*			trans	-73.6	102.4	164.3	-175	0	0	0	0	109.2	E1143 F1147	E1143-V1145 PolarHBondContact O-N 2.96Å; V1145-F1147 VanDerWaalsContact C-N 3.32Å; V1145-F1147 HydrophobicContact CB-CD2 4.36Å; V1145-F1147 HydrophobicContact CG1-CD2 3.69Å; V1145-F1147 HydrophobicContact CG1-CE2 3.74Å; V1145-F1147 PolarHBondContact O-N 3.19Å
1146	N	26.5	Very low	32.1	Very low	135 Å²	135	146 Å²	146	72%	0.722	74%	0.737	S	S	*	*			trans	-77	73.9	-169.8	-163.6	-9.3	0	0	0	112.3	L1144 K1148	L1144-N1146 PolarHBondContact O-N 3.08Å; L1144-N1146 VanDerWaalsContact O-N 3.12Å; N1146-K1148 PolarHBondContact O-N 3.03Å
1147	F	29.1	Very low	32.1	Very low	147 Å²	147	148 Å²	148	65%	0.645	75%	0.751	S	S	*	*			trans	-64.6	5.1	-170.5	-110.6	-81.7	0	0	0	116.7	V1145 K1149 C1150	V1145-F1147 VanDerWaalsContact C-N 3.32Å; V1145-F1147 HydrophobicContact CB-CD2 4.36Å; V1145-F1147 HydrophobicContact CG1-CD2 3.69Å; V1145-F1147 HydrophobicContact CG1-CE2 3.74Å; V1145-F1147 PolarHBondContact O-N 3.19Å; F1147-K1149 PolarHBondContact O-N 2.98Å; F1147-C1150 HydrophobicContact CD1-CB 4.47Å
1148	K	34.1	Very low	32.1	Very low	185 Å²	185	147.3 Å²	147.3	80%	0.804	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	16.8	179.4	-150.6	177.9	-176.4	179.5	0	114.3	N1146	N1146-K1148 PolarHBondContact O-N 3.03Å
1149	K	34.7	Very low	32	Very low	193 Å²	193	148 Å²	148	84%	0.839	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	-6.8	-171.6	-153.4	178	179.6	-175.3	0	114.8	F1147	F1147-K1149 PolarHBondContact O-N 2.98Å
1150	C	30.7	Very low	31.8	Very low	91 Å²	91	146.4 Å²	146.4	62%	0.615	75%	0.745	S	S	*	*	S	Bend	trans	-114.1	-9.6	-171.7	-61.2	0	0	0	0	115.9	F1147	F1147-C1150 HydrophobicContact CD1-CB 4.47Å
1151	T	32.1	Very low	31.7	Very low	105 Å²	105	143.4 Å²	143.4	64%	0.644	74%	0.738	S	S	*	*	S	Bend	trans	-103.4	-1.7	-172	48	0	0	0	0	115.6
1152	N	32.5	Very low	31.6	Very low	139 Å²	139	142 Å²	142	74%	0.743	74%	0.735	S	S	*	*	S	Bend	trans	-79.8	-16.4	179.9	-78.2	3.5	0	0	0	114.5
1153	E	36.9	Very low	31.7	Very low	139 Å²	139	141.8 Å²	141.8	65%	0.65	73%	0.733	S	S	*	*	S	Bend	trans	-92.7	-29.8	-169.4	-76.9	-59.2	139.9	0	0	115
1154	L	32.4	Very low	31.7	Very low	159 Å²	159	139.9 Å²	139.9	83%	0.832	73%	0.728	S	S	*	*	S	Bend	trans	-106	25.2	-172.3	-70.6	169.5	0	0	0	114	K1156	L1154-K1156 PolarHBondContact O-N 3.25Å
1155	Q	34	Very low	32	Very low	184 Å²	184	137.9 Å²	137.9	86%	0.86	72%	0.717	S	S	*	*			trans	-87.8	20.7	167.1	-150.3	171.1	11.4	0	0	112.6
1156	K	35.7	Very low	32.1	Very low	157 Å²	157	139.3 Å²	139.3	68%	0.683	72%	0.718	S	S	*	*			trans	-117.9	125.1	163.7	-53.8	161.8	-169.5	152.5	0	105.2	L1154	L1154-K1156 PolarHBondContact O-N 3.25Å
1157	S	29.4	Very low	32.5	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	72%	0.718	S	S	*	*			cis	-152.7	161.6	4.1	47.1	0	0	0	0	111.2
1158	S	32.4	Very low	32.7	Very low	88 Å²	88	139.1 Å²	139.1	62%	0.615	72%	0.723	S	S	*	*			trans	-57.9	151.2	164.9	48.8	0	0	0	0	112
1159	I	32	Very low	32.6	Very low	145 Å²	145	135.5 Å²	135.5	74%	0.744	72%	0.717	S	S	*	*				-178.7	124.4	95.4	-86.2	148.8	0	0	0	104.3
1160	I	30.4	Very low	32.5	Very low	127 Å²	127	130.8 Å²	130.8	65%	0.651	71%	0.707	S	S	*	*				71.7	138.8	62.2	-65.9	174.6	0	0	0	111.6	H77	H77-I1160 CarbonylContact O-C 3.55Å; H77-I1160 VanDerWaalsContact O-C 3.32Å; H77-I1160 VanDerWaalsContact O-O 3.11Å
1161	D	31.2	Very low	32.6	Very low	123 Å²	123	134.4 Å²	134.4	66%	0.658	72%	0.715	S	S	*	*			cis	-84.7	0	-4.2	61.1	56.4	0	0	0	116.4	H77 D78	H77-D1161 WeakPolarHBondContact CA-OD2 3.26Å; H77-D1161 PolarHBondContact N-OD2 3.39Å; H77-D1161 PolarHBondContact O-N 3.49Å; D78-D1161 VanDerWaalsContact CA-OD1 3.28Å; D78-D1161 WeakPolarHBondContact CA-OD1 3.09Å; D78-D1161 PolarHBondContact N-OD1 3.05Å; D78-D1161 PolarHBondContact N-OD2 3.09Å

Retrieved 1,161 of 1,161 residues in 290.8 ms (Link to these results)

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