A0A5K4F5U9_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5U9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,002 aa.

						>A0A5K4F5U9_SCHMA|A0A5K4F5U9
MSSDILPVNTTINKLVDNQNQHAFGDIGDDGCIHDKLTNDSICMITSNYKDFVDNIDITISNDNTNEIPSNKHFDNNIKNQLTENQISKVIPIKDHDKSIMDTNSYYSTSFIQLHSDNNSYNDDNILICLNQSNSSLLHTTDIMNSNTMICKLIRKKNHLVIKEQEISTTLDKSNGISCISNVNPNVLSVSRGYPEKNSIITTASSATSTKSATITDLKINNEISTILSQQSSDDDDNAHDISSCDYRNDVGIYHKNVDGYIDDVVSSDIDQVNSSCNDNTSLKQQNLDSFFENNKKLQESCSTTTTTPITVSVTTSPVSSLSFNVSQSNSFESNQHQQQKQIHHDHRILVSSLCSTDSSYLSSQCPSIFAKRKPVTTTTTTFNNNNNSTVHDHKTNRNDINYHLHSPTSMSNNLKNHCLTTTENNISSYNDNNNDKHSTNNIKVNNYNHNNDETNLIINYLPPYMSQEEVRVLFSTCGQIESCKLIRDKLTGESLGYAFVKYSHSNEAQQAIHKLNGLSLQNKTIKVSLARPNCESIKDANLYISGLPKTMKQNELEQLFSQYGRIITARILYDNKTGISRGVAFIRFNHRYEAELAIQQLNGYQLPFEYSNDILNRPITVKFANPPNSIKLDYFSLLLLKQAAQLQAVAKSAATPSPNATSAVIAAELLNPLQQQQQQQRIATISNRLKYSMTSSSSTETDLLSTMVNTIGINNSILAPTIIASTGGLTPNGWCIFVYNLSPEVEESNLWHLFGPFGAVQSIKIIYDITNNKCKGFAFVTMSNYEEAVLAIHSLNGYVLDNRILQVSFKITNNKSRSFPLNTLSPSSSSSLPSSPSSQSNSLPFDLSSIQQTLSNEQDHFNSKKIVGTKNSLNSDTSVGSNYEKQQTQPQQYKSQSYHQNNKKKFSTDLNDHTSFKPVVTDTQDKSVSITNSSIQLLTNRSNETNNRNRKHFKTVFDGKTPIESFDSFIGERPVKSTYLHLVNNSKRQTNKSRNSQKKRR
					

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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	35.7	Very low	33.6	Very low	241 Å²	241	138 Å²	138	100%	1.187	79%	0.791	S	S	*	*				0	114.1	0	-69.1	176.3	170.7	0	0	108.1
2	S	32.4	Very low	33.5	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	79%	0.788	S	S	*	*			cis	-149	113.6	-29.2	-64.8	0	0	0	0	102.9
3	S	32.4	Very low	33.2	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	78%	0.78	S	S	*	*				62.4	141.5	73	82.7	0	0	0	0	113.5
4	D	35.7	Very low	33	Very low	137 Å²	137	141.9 Å²	141.9	73%	0.733	78%	0.784	S	S	*	*			trans	105.8	131.1	161.3	-51.1	7.1	0	0	0	115.8
5	I	35.7	Very low	32.9	Very low	153 Å²	153	143.8 Å²	143.8	79%	0.785	79%	0.791	S	S	*	*			cis	-165.7	145.9	-38.3	-112.4	155.6	0	0	0	107.4
6	L	33.3	Very low	32.9	Very low	156 Å²	156	142 Å²	142	82%	0.817	79%	0.785	S	S	*	*			trans	-73.7	153.6	173.4	-81	165.1	0	0	0	110.9
7	P	37.7	Very low	32.8	Very low	123 Å²	123	140.4 Å²	140.4	80%	0.799	78%	0.775	S	S	*	*				-153.4	166.9	90.1	39.6	-20.4	0	0	0	118.4
8	V	30.5	Very low	32.9	Very low	116 Å²	116	141.9 Å²	141.9	70%	0.703	78%	0.782	S	S	*	*			trans	-61.2	143.8	165.8	172.6	0	0	0	0	112.5
9	N	33.7	Very low	32.8	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	77%	0.771	S	S	*	*			trans	-161.6	166.7	136.6	-116.6	-43.9	0	0	0	115
10	T	32.2	Very low	32.9	Very low	111 Å²	111	142 Å²	142	68%	0.681	78%	0.776	S	S	*	*			trans	-118.6	164.7	-160.1	-44.8	0	0	0	0	112.7
11	T	30.3	Very low	32.8	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	77%	0.767	S	S	*	*			trans	97.7	158.1	148.4	-26.6	0	0	0	0	118.8
12	I	32.4	Very low	32.6	Very low	147 Å²	147	137.1 Å²	137.1	75%	0.754	75%	0.745	S	S	*	*			trans	96	84.8	160.6	-47.9	-175.3	0	0	0	118.3
13	N	30.2	Very low	32.7	Very low	130 Å²	130	136.2 Å²	136.2	70%	0.695	74%	0.744	S	S	*	*				35	132.5	117.6	-72.5	-50.9	0	0	0	122.8
14	K	29.6	Very low	32.5	Very low	192 Å²	192	140.5 Å²	140.5	84%	0.835	75%	0.75	S	S	*	*			trans	51.2	115.4	134.5	-62.7	-176.5	176.7	-175.1	0	120.2
15	L	31.3	Very low	32.3	Very low	170 Å²	170	137.2 Å²	137.2	89%	0.89	75%	0.749	S	S	*	*			trans	-172.7	146.2	144	-92.5	160.9	0	0	0	105.9
16	V	33.2	Very low	32.2	Very low	115 Å²	115	136.1 Å²	136.1	70%	0.697	75%	0.745	S	S	*	*			cis	-154.3	175.3	-24.7	93.1	0	0	0	0	108.5
17	D	31.4	Very low	32.1	Very low	114 Å²	114	136.6 Å²	136.6	61%	0.61	75%	0.746	S	S	*	*			trans	-49.8	151.7	-176.8	-52.2	-92.8	0	0	0	116.7
18	N	34.8	Very low	31.9	Very low	169 Å²	169	133.4 Å²	133.4	90%	0.904	74%	0.736	S	S	*	*			trans	-150.2	131.6	130.6	-110.3	-74.4	0	0	0	110.4
19	Q	31.4	Very low	31.9	Very low	120 Å²	120	135.5 Å²	135.5	56%	0.561	74%	0.743	S	S	*	*			trans	-107.8	148.8	-178.6	-62.4	-173.7	2.8	0	0	111.6	Q21	Q19-Q21 HydrophobicContact CB-CG 4.32Å
20	N	34.2	Very low	31.9	Very low	165 Å²	165	136.1 Å²	136.1	88%	0.882	75%	0.747	S	S	*	*			trans	-171.5	87.7	152.8	-89	-38.9	0	0	0	105
21	Q	29.8	Very low	31.8	Very low	123 Å²	123	134.5 Å²	134.5	58%	0.575	75%	0.752	S	S	*	*				62.5	136.4	62.6	-67.8	-142.5	37.8	0	0	115.3	Q19	Q19-Q21 HydrophobicContact CB-CG 4.32Å
22	H	32.4	Very low	31.9	Very low	157 Å²	157	134.4 Å²	134.4	73%	0.727	76%	0.755	S	S	*	*			trans	68	133.3	178.6	-55	-66.7	0	0	0	116.6
23	A	33.8	Very low	31.7	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	75%	0.753	S	S	*	*			cis	-142.1	138	1.7	0	0	0	0	0	110.8
24	F	28.5	Very low	31.5	Very low	185 Å²	185	135.9 Å²	135.9	81%	0.811	76%	0.757	S	S	*	*				42.3	129.1	107	-69.3	-88	0	0	0	115.8
25	G	32.4	Very low	31.5	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	75%	0.75	S	S	*	*			cis	-162.3	-166	0.9	0	0	0	0	0	109.2
26	D	33.6	Very low	31.5	Very low	130 Å²	130	134.4 Å²	134.4	70%	0.695	75%	0.749	S	S	*	*			cis	-161.7	154.3	-0.6	-93.8	-30	0	0	0	110
27	I	31	Very low	31.1	Very low	166 Å²	166	136.3 Å²	136.3	85%	0.851	76%	0.755	S	S	*	*			trans	43.3	132.2	142.8	-52.2	161.9	0	0	0	119.1
28	G	32.7	Very low	31	Very low	57 Å²	57	136.1 Å²	136.1	59%	0.588	76%	0.758	S	S	*	*			cis	-172.6	148.5	1.7	0	0	0	0	0	108.5
29	D	31.9	Very low	30.5	Very low	159 Å²	159	135 Å²	135	85%	0.85	75%	0.752	S	S	*	*				72.8	108.2	85.8	-74.3	-30.2	0	0	0	116
30	D	32.1	Very low	30.4	Very low	176 Å²	176	135.8 Å²	135.8	94%	0.941	76%	0.76	S	S	*	*			trans	155.5	136.2	136	-89.7	-21.7	0	0	0	113.1
31	G	31.7	Very low	29.9	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	76%	0.759	S	S	*	*			trans	143.7	82.8	167.5	0	0	0	0	0	118.3
32	C	32.1	Very low	29.8	Very low	119 Å²	119	135.5 Å²	135.5	80%	0.804	77%	0.771	S	S	*	*			trans	-50.3	139.3	173.2	-68.4	0	0	0	0	114.6
33	I	27.1	Very low	29.4	Very low	142 Å²	142	133.1 Å²	133.1	73%	0.728	77%	0.77	S	S	*	*			cis	92.3	129.1	47.6	-70.7	166.1	0	0	0	113.5
34	H	27.3	Very low	29	Very low	167 Å²	167	136.2 Å²	136.2	77%	0.773	77%	0.772	S	S	*	*			trans	59.1	134.2	173.8	-82.9	-79.7	0	0	0	116.6
35	D	29.5	Very low	28.7	Very low	128 Å²	128	133.4 Å²	133.4	68%	0.684	76%	0.764	S	S	*	*			cis	-171.2	130.4	38.6	-123.4	-17	0	0	0	113.1
36	K	29.9	Very low	28.3	Very low	202 Å²	202	136.1 Å²	136.1	88%	0.878	77%	0.768	S	S	*	*				171.2	118.6	122.8	-96.8	180	179.8	-178.8	0	113.1
37	L	25.9	Very low	27.9	Very low	156 Å²	156	134.5 Å²	134.5	82%	0.817	77%	0.766	S	S	*	*			trans	-71.4	166.4	156.1	-63.5	142.2	0	0	0	108.1
38	T	28.3	Very low	27.6	Very low	109 Å²	109	133.6 Å²	133.6	67%	0.669	76%	0.763	S	S	*	*			cis	-161.4	149.7	43.4	48.4	0	0	0	0	112.2
39	N	25.9	Very low	27.3	Very low	146 Å²	146	141 Å²	141	78%	0.781	78%	0.775	S	S	*	*			trans	66.3	145.1	159.4	-51.1	-9	0	0	0	116.4
40	D	28.4	Very low	27	Very low	137 Å²	137	141.9 Å²	141.9	73%	0.733	77%	0.771	S	S	*	*			cis	-111.3	150.6	6.5	-75.4	-51.7	0	0	0	113.9
41	S	24.6	Very low	26.9	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	76%	0.757	S	S	*	*			trans	-159.1	69.9	169.4	-75.9	0	0	0	0	110.9	C43	S41-C43 PolarHBondContact O-N 3.3Å
42	I	27	Very low	26.7	Very low	160 Å²	160	145.8 Å²	145.8	82%	0.821	76%	0.764	S	S	*	*			trans	-87.6	96.2	175.3	-61.3	-178	0	0	0	109.6
43	C	23.1	Very low	26.4	Very low	106 Å²	106	145.4 Å²	145.4	72%	0.716	76%	0.758	S	S	*	*			trans	-75.3	134.4	157.6	178.2	0	0	0	0	109.3	S41	S41-C43 PolarHBondContact O-N 3.3Å
44	M	25.2	Very low	26.4	Very low	149 Å²	149	145.1 Å²	145.1	73%	0.734	76%	0.758	S	S	*	*			trans	-165	142.2	148.8	-85.8	-120.7	-80.9	0	0	106.3
45	I	23.4	Very low	26.3	Very low	127 Å²	127	144.4 Å²	144.4	65%	0.651	76%	0.76	S	S	*	*				63.6	117.3	55.8	-53.4	167.1	0	0	0	107.5
46	T	24.3	Very low	26.2	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	77%	0.765	S	S	*	*			cis	-153.1	178.1	41.9	-21.6	0	0	0	0	112.6
47	S	25.1	Very low	25.9	Very low	95 Å²	95	143.9 Å²	143.9	66%	0.664	77%	0.765	S	S	*	*			trans	-52.4	165.2	168.3	53.5	0	0	0	0	118
48	N	23	Very low	25.9	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	76%	0.763	S	S	*	*			trans	4.3	124	146	-62.2	-19.1	0	0	0	118.6
49	Y	27	Very low	25.7	Very low	214 Å²	214	144.5 Å²	144.5	84%	0.839	77%	0.768	S	S	*	*			trans	166	121.8	146.8	-94	-67.8	0	0	0	102.8
50	K	26.8	Very low	25.7	Very low	176 Å²	176	144.2 Å²	144.2	77%	0.765	77%	0.765	S	S	*	*			cis	57.5	129.7	38.9	-141.9	-168.4	178.5	-170.7	0	112.9
51	D	28.5	Very low	25.6	Very low	120 Å²	120	142.6 Å²	142.6	64%	0.642	77%	0.765	S	S	*	*			trans	69	85.6	178.8	-44.8	-31.7	0	0	0	115
52	F	27.5	Very low	25.9	Very low	214 Å²	214	144 Å²	144	94%	0.939	76%	0.763	S	S	*	*				-155.2	145.9	129.6	-119.6	-79.3	0	0	0	110.6
53	V	26	Very low	26	Very low	112 Å²	112	143 Å²	143	68%	0.679	76%	0.759	S	S	*	*			trans	-138.5	146.2	-170.1	165	0	0	0	0	109.3
54	D	28.1	Very low	26.3	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	76%	0.764	S	S	*	*	S	Bend	trans	66.1	150.9	169.8	-65.1	-20.2	0	0	0	120.7
55	N	25.3	Very low	26.6	Very low	152 Å²	152	143.9 Å²	143.9	81%	0.813	76%	0.764	S	S	*	*			trans	60.8	84.8	155.4	-57.4	-34.7	0	0	0	120
56	I	27.2	Very low	27	Very low	155 Å²	155	144.8 Å²	144.8	80%	0.795	77%	0.77	S	S	*	*			trans	-137.5	112.3	143.6	-55.3	-177.2	0	0	0	109.8	I58	I56-I58 HydrophobicContact CG2-CD1 4.17Å; I56-I58 HydrophobicContact CG2-CG1 3.8Å
57	D	22.6	Very low	27.3	Very low	164 Å²	164	147 Å²	147	88%	0.877	77%	0.772	S	S	*	*			trans	-80.1	136.5	160.2	-80.7	-53.4	0	0	0	109.7
58	I	27	Very low	27.5	Very low	149 Å²	149	149.8 Å²	149.8	76%	0.764	78%	0.778	S	S	*	*			trans	-132.5	122.7	163.4	-60	-173.7	0	0	0	110	I56	I56-I58 HydrophobicContact CG2-CD1 4.17Å; I56-I58 HydrophobicContact CG2-CG1 3.8Å
59	T	23.9	Very low	27.8	Very low	129 Å²	129	147.9 Å²	147.9	79%	0.791	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.4	142.1	178.3	-43.6	0	0	0	0	111.6
60	I	25.6	Very low	27.8	Very low	140 Å²	140	142.3 Å²	142.3	72%	0.718	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-93.2	119	168.1	-58.1	175.8	0	0	0	108.5
61	S	26.7	Very low	27.9	Very low	103 Å²	103	140 Å²	140	72%	0.72	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-95.6	122.3	172.9	51.1	0	0	0	0	110.9
62	N	29.9	Very low	28.1	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-92.9	127.1	165.9	-81.9	1.7	0	0	0	109.6
63	D	28.8	Very low	28.2	Very low	139 Å²	139	139 Å²	139	74%	0.743	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-87.6	159.5	167	-75.1	-49.2	0	0	0	111.9
64	N	31	Very low	28.4	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	76%	0.757	S	S	*	*			trans	70.1	114.7	-174	-42	-68	0	0	0	112.3
65	T	30.4	Very low	28.4	Very low	121 Å²	121	141.6 Å²	141.6	74%	0.742	76%	0.755	S	S	*	*			cis	-161.5	168	47.5	43.6	0	0	0	0	113.4
66	N	32.9	Very low	28.6	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	75%	0.753	S	S	*	*			trans	69.7	92.5	156.3	-60.4	-6.9	0	0	0	119.2
67	E	29.8	Very low	28.7	Very low	173 Å²	173	140 Å²	140	81%	0.808	75%	0.749	S	S	*	*				27.1	137	125	-65.4	-162.8	140.7	0	0	122.8
68	I	28.9	Very low	29.2	Very low	152 Å²	152	139.4 Å²	139.4	78%	0.779	74%	0.744	S	S	*	*			trans	81.4	137.6	145.6	-71.3	164	0	0	0	117.2
69	P	29.9	Very low	29.2	Very low	108 Å²	108	140.6 Å²	140.6	70%	0.701	74%	0.743	S	S	*	*			trans	-134.5	167.9	-132.5	43	-27.3	0	0	0	118.1
70	S	27.8	Very low	29.5	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	74%	0.743	S	S	*	*			trans	92.5	141.2	139.8	86.8	0	0	0	0	120.9
71	N	27.7	Very low	29.6	Very low	129 Å²	129	142.9 Å²	142.9	69%	0.69	75%	0.747	S	S	*	*			trans	78.7	117.4	148.6	-76.1	-61.9	0	0	0	121.3
72	K	32.1	Very low	29.6	Very low	175 Å²	175	144.6 Å²	144.6	76%	0.761	75%	0.747	S	S	*	*			trans	76.1	143.7	144.4	-62.9	170.3	176.5	175.9	0	116.3
73	H	30.5	Very low	29.7	Very low	137 Å²	137	143.8 Å²	143.8	63%	0.634	75%	0.748	S	S	*	*			cis	-158.5	161	-2.9	-135.8	-63.8	0	0	0	111.9
74	F	29.5	Very low	29.7	Very low	171 Å²	171	145.5 Å²	145.5	75%	0.75	75%	0.751	S	S	*	*			trans	75.2	141.1	152.8	-82.9	-60.7	0	0	0	121.3
75	D	28.3	Very low	29.5	Very low	131 Å²	131	145.1 Å²	145.1	70%	0.701	75%	0.749	S	S	*	*			trans	-92.6	-176.3	-176.2	-47.4	-94.6	0	0	0	114.4
76	N	30.4	Very low	29.5	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	75%	0.752	S	S	*	*			trans	75.3	132.8	158.8	-59.7	-53.6	0	0	0	115.3
77	N	29.4	Very low	29.5	Very low	132 Å²	132	147.8 Å²	147.8	71%	0.706	75%	0.752	S	S	*	*			cis	-177.3	175.3	23.1	-141	-36.5	0	0	0	110.5
78	I	31.7	Very low	29.3	Very low	151 Å²	151	144.1 Å²	144.1	77%	0.774	75%	0.746	S	S	*	*			trans	74.9	143.7	154.1	-67.6	160.3	0	0	0	118.4
79	K	28.4	Very low	29.3	Very low	175 Å²	175	146.1 Å²	146.1	76%	0.761	75%	0.749	S	S	*	*			trans	-99.6	166.1	-176.7	-58.1	169.7	178.2	172.1	0	111.6
80	N	29.1	Very low	29	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	75%	0.752	S	S	*	*			trans	72.2	126.6	169	-40.7	-34.5	0	0	0	112.6
81	Q	28.7	Very low	29	Very low	171 Å²	171	149.9 Å²	149.9	80%	0.799	76%	0.758	S	S	*	*				-165.7	153.4	63.9	-86.8	-176.7	-5.6	0	0	113.7
82	L	27.4	Very low	29.2	Very low	139 Å²	139	149 Å²	149	73%	0.728	76%	0.76	S	S	*	*			trans	62.3	143.3	137.6	-67.4	168	0	0	0	124
83	T	31.9	Very low	29.1	Very low	134 Å²	134	149 Å²	149	82%	0.822	77%	0.766	S	S	*	*			trans	74.4	126.9	147.8	41.3	0	0	0	0	121.4
84	E	27.9	Very low	28.7	Very low	176 Å²	176	150.3 Å²	150.3	82%	0.822	77%	0.769	S	S	*	*			trans	-84.9	172.7	170.1	-61.2	170.6	111.3	0	0	112.7
85	N	26.1	Very low	28.6	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	76%	0.762	S	S	*	*			trans	99.7	110.2	162.5	-58.8	-73	0	0	0	116.6
86	Q	31.6	Very low	28.8	Very low	171 Å²	171	149.8 Å²	149.8	80%	0.799	77%	0.769	S	S	*	*				-170.4	136.1	110.4	-102.9	173.9	55	0	0	114.3
87	I	32	Very low	28.5	Very low	151 Å²	151	148.6 Å²	148.6	77%	0.774	76%	0.762	S	S	*	*			trans	74.8	141.2	143.6	-62.9	165.6	0	0	0	119
88	S	25.3	Very low	28.4	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	76%	0.763	S	S	*	*			trans	-126.6	158.4	-174.9	56.5	0	0	0	0	113
89	K	29	Very low	28.1	Very low	194 Å²	194	148 Å²	148	84%	0.843	76%	0.761	S	S	*	*			trans	174.7	120.7	154.9	-95.6	148.4	-171.5	178.1	0	107.2
90	V	25.4	Very low	28.1	Very low	128 Å²	128	147.8 Å²	147.8	78%	0.776	77%	0.766	S	S	*	*				54.9	111.5	63.8	-160.8	0	0	0	0	109.8
91	I	27	Very low	27.9	Very low	155 Å²	155	148.6 Å²	148.6	80%	0.795	77%	0.767	S	S	*	*				-160.8	151	78.1	-78.5	171.4	0	0	0	109.9
92	P	32.5	Very low	27.7	Very low	111 Å²	111	147 Å²	147	72%	0.721	76%	0.764	S	S	*	*			trans	-99	172.2	-178.2	39.7	-37.3	0	0	0	115.2
93	I	28.1	Very low	27.8	Very low	173 Å²	173	147.5 Å²	147.5	89%	0.887	77%	0.773	S	S	*	*			trans	-153	166.5	162.6	-104	149.3	0	0	0	111
94	K	24.2	Very low	27.4	Very low	165 Å²	165	149 Å²	149	72%	0.717	78%	0.776	S	S	*	*			trans	-113.1	167.7	-165.3	-80.9	178	116.3	-113.3	0	114.4
95	D	26	Very low	27.4	Very low	112 Å²	112	146.2 Å²	146.2	60%	0.599	78%	0.776	S	S	*	*			trans	50.8	116.6	146.4	-52.1	-21.5	0	0	0	120.1
96	H	32	Very low	27.3	Very low	180 Å²	180	149.5 Å²	149.5	83%	0.833	78%	0.779	S	S	*	*				-175.1	113.7	116.8	-101.1	-64.3	0	0	0	115.1
97	D	24.7	Very low	27	Very low	117 Å²	117	152.3 Å²	152.3	63%	0.626	78%	0.784	S	S	*	*				36.1	136.3	126.4	-108.1	3.9	0	0	0	124.4
98	K	28.2	Very low	26.6	Very low	168 Å²	168	150.3 Å²	150.3	73%	0.73	78%	0.784	S	S	*	*			trans	86.2	115.5	138.6	-74.9	166.4	179.2	132	0	122.9
99	S	25.1	Very low	26.7	Very low	103 Å²	103	151.4 Å²	151.4	72%	0.72	79%	0.786	S	S	*	*			trans	62.6	125.8	134.9	65.3	0	0	0	0	121.5
100	I	28.1	Very low	26.5	Very low	170 Å²	170	146.9 Å²	146.9	87%	0.872	78%	0.779	S	S	*	*				-161.8	159.9	108.3	-97.5	156	0	0	0	109.8
101	M	25.8	Very low	26.5	Very low	163 Å²	163	148.9 Å²	148.9	80%	0.803	78%	0.778	S	S	*	*			trans	-86.2	156.5	-170.2	-77.9	168.1	150.7	0	0	115.2
102	D	24	Very low	26.5	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	78%	0.775	S	S	*	*			trans	44.3	117.5	143.1	-56	-11.8	0	0	0	121.3
103	T	29.1	Very low	26.1	Very low	149 Å²	149	150.3 Å²	150.3	91%	0.914	77%	0.774	S	S	*	*				-157.9	144.9	126.2	-0.4	0	0	0	0	111.8
104	N	23.5	Very low	26.1	Very low	165 Å²	165	148.4 Å²	148.4	88%	0.882	77%	0.766	S	S	*	*			trans	-79.8	136.7	-177.2	-65.6	-75	0	0	0	112.7
105	S	27.3	Very low	26.2	Very low	117 Å²	117	148.1 Å²	148.1	82%	0.818	77%	0.767	S	S	*	*			trans	-163.1	169.5	134.7	52.3	0	0	0	0	112.2
106	Y	25	Very low	26.2	Very low	213 Å²	213	147.7 Å²	147.7	84%	0.835	77%	0.772	S	S	*	*			trans	-80.5	-179.5	-167.5	-84.2	-113.4	0	0	0	113.8
107	Y	24.5	Very low	26	Very low	229 Å²	229	146.3 Å²	146.3	90%	0.898	77%	0.771	S	S	*	*			trans	83.8	101.6	176.1	-52.3	-72.9	0	0	0	116
108	S	24.6	Very low	26.1	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	78%	0.777	S	S	*	*			trans	-123.3	98.5	162.8	-173.1	0	0	0	0	109.7
109	T	25.8	Very low	26.1	Very low	119 Å²	119	147.1 Å²	147.1	73%	0.73	78%	0.783	S	S	*	*			trans	-80.3	110.1	165.8	47.5	0	0	0	0	108.7	F111	T109-F111 PolarHBondContact O-N 3.25Å; T109-F111 VanDerWaalsContact O-N 3.1Å
110	S	26.6	Very low	26.3	Very low	100 Å²	100	148 Å²	148	70%	0.699	79%	0.79	S	S	*	*			trans	-72.5	102.6	-169.2	-46.6	0	0	0	0	113.3
111	F	24.7	Very low	26.2	Very low	169 Å²	169	150.4 Å²	150.4	74%	0.741	79%	0.789	S	S	*	*			trans	-73.6	127.3	163.7	-86.3	-95.1	0	0	0	110.5	T109 Q113	T109-F111 PolarHBondContact O-N 3.25Å; T109-F111 VanDerWaalsContact O-N 3.1Å; F111-Q113 PolarHBondContact O-N 3.05Å
112	I	26.5	Very low	26.2	Very low	146 Å²	146	149.2 Å²	149.2	75%	0.749	79%	0.786	S	S	*	*			trans	-89	97.6	178.2	-58.3	177	0	0	0	109.3	L114	I112-L114 HydrophobicContact CG2-CD2 4.5Å; I112-L114 HydrophobicContact CG2-CG 4.33Å
113	Q	25.1	Very low	26.5	Very low	150 Å²	150	149 Å²	149	70%	0.701	79%	0.785	S	S	*	*			trans	-86.4	104.4	171.1	-169.8	76.1	-17	0	0	109.6	F111 H115	F111-Q113 PolarHBondContact O-N 3.05Å; Q113-H115 PolarHBondContact O-N 2.98Å
114	L	27	Very low	26.4	Very low	134 Å²	134	149.3 Å²	149.3	70%	0.702	78%	0.781	S	S	*	*			trans	-80.6	110.2	172	-73.2	172.8	0	0	0	109.9	I112	I112-L114 HydrophobicContact CG2-CD2 4.5Å; I112-L114 HydrophobicContact CG2-CG 4.33Å
115	H	26.3	Very low	26.7	Very low	159 Å²	159	148.1 Å²	148.1	74%	0.736	77%	0.774	S	S	*	*			trans	-80.3	127.6	167.7	-109.9	-101	0	0	0	110.5	Q113	Q113-H115 PolarHBondContact O-N 2.98Å
116	S	25.6	Very low	26.8	Very low	102 Å²	102	149.1 Å²	149.1	71%	0.713	77%	0.769	S	S	*	*			trans	-105.1	111.6	171.9	-62.2	0	0	0	0	109.3
117	D	28.4	Very low	26.9	Very low	152 Å²	152	144.9 Å²	144.9	81%	0.813	76%	0.76	S	S	*	*			trans	-81.6	149.6	166.2	-70.6	-35.3	0	0	0	110.6
118	N	27.8	Very low	27	Very low	142 Å²	142	139.1 Å²	139.1	76%	0.759	74%	0.744	S	S	*	*			trans	-83.1	166.8	-153.9	-69.3	-76.7	0	0	0	115.6
119	N	27.6	Very low	27.2	Very low	160 Å²	160	139.2 Å²	139.2	86%	0.856	74%	0.743	S	S	*	*			trans	86.1	69.8	163	-53.3	-25.2	0	0	0	118.6
120	S	28.2	Very low	27.2	Very low	122 Å²	122	141.1 Å²	141.1	85%	0.853	75%	0.748	S	S	*	*				-169.2	146.1	104.7	-164	0	0	0	0	111.7
121	Y	25.8	Very low	27.3	Very low	219 Å²	219	141.9 Å²	141.9	86%	0.859	74%	0.744	S	S	*	*			trans	-82.9	124.5	177.5	-91.5	-108.2	0	0	0	111.6
122	N	27.4	Very low	27.4	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	75%	0.754	S	S	*	*				169.4	145.2	119.6	-82.5	-13.3	0	0	0	112.8
123	D	29.4	Very low	27.7	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	75%	0.746	S	S	*	*			trans	61.2	79.1	155.5	-53.2	-19.3	0	0	0	121.8	N125	D123-N125 PolarHBondContact O-N 3.28Å; D123-N125 VanDerWaalsContact O-N 3.09Å
124	D	28	Very low	27.9	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	75%	0.753	S	S	*	*				45.2	52.3	121.8	-88.7	17.1	0	0	0	120
125	N	29.4	Very low	27.9	Very low	139 Å²	139	139.5 Å²	139.5	74%	0.743	76%	0.755	S	S	*	*			trans	-144.1	98	162	-75.1	-74.9	0	0	0	113.9	D123	D123-N125 PolarHBondContact O-N 3.28Å; D123-N125 VanDerWaalsContact O-N 3.09Å
126	I	28.4	Very low	28	Very low	138 Å²	138	137 Å²	137	71%	0.708	76%	0.755	S	S	*	*			trans	-104.5	114.6	162.2	-61	178.4	0	0	0	108.2	I128	I126-I128 HydrophobicContact CG2-CD1 4.43Å; I126-I128 HydrophobicContact CG2-CG1 4.15Å
127	L	27.3	Very low	28.1	Very low	124 Å²	124	140.2 Å²	140.2	65%	0.649	76%	0.764	S	S	*	*			trans	-106.6	120.6	179.9	-165.3	76.9	0	0	0	109.9	I150	L127-I150 HydrophobicContact CD1-CG2 3.84Å
128	I	27.6	Very low	28.1	Very low	108 Å²	108	139.7 Å²	139.7	55%	0.554	76%	0.76	S	S	*	*			trans	-117.3	107.6	178.3	-56.5	177.3	0	0	0	108.8	I126 L130	I126-I128 HydrophobicContact CG2-CD1 4.43Å; I126-I128 HydrophobicContact CG2-CG1 4.15Å; I128-L130 HydrophobicContact CG2-CD2 4.37Å; I128-L130 HydrophobicContact CG2-CG 4.5Å; I128-L130 PolarHBondContact O-N 3.15Å
129	C	27.7	Very low	28	Very low	112 Å²	112	138 Å²	138	76%	0.757	75%	0.747	S	S	*	*			trans	-85.5	106.6	171.8	-65.9	0	0	0	0	110.2
130	L	27.4	Very low	28.1	Very low	160 Å²	160	136.5 Å²	136.5	84%	0.838	74%	0.744	S	S	*	*			trans	-84	129.6	162.9	-61.6	175.5	0	0	0	108.5	I128	I128-L130 HydrophobicContact CG2-CD2 4.37Å; I128-L130 HydrophobicContact CG2-CG 4.5Å; I128-L130 PolarHBondContact O-N 3.15Å
131	N	27.7	Very low	28.4	Very low	115 Å²	115	135.5 Å²	135.5	62%	0.615	73%	0.733	S	S	*	*			trans	-132.6	122.9	175.5	-167.3	6.5	0	0	0	110.5	S133	N131-S133 PolarHBondContact O-N 3.1Å
132	Q	28	Very low	28.6	Very low	201 Å²	201	129.4 Å²	129.4	94%	0.939	72%	0.715	S	S	*	*			trans	-91.4	89.9	178.8	-73	-176.4	-16	0	0	110.5
133	S	31.9	Very low	28.8	Very low	82 Å²	82	129 Å²	129	57%	0.573	71%	0.712	S	S	*	*			trans	-151.5	135.2	165	56.7	0	0	0	0	111.8	N131	N131-S133 PolarHBondContact O-N 3.1Å
134	N	28.9	Very low	28.9	Very low	161 Å²	161	130.8 Å²	130.8	86%	0.861	72%	0.718	S	S	*	*			trans	-72.9	139.3	-172.2	-72.2	-44.4	0	0	0	112.7
135	S	27.3	Very low	29	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	72%	0.72	S	S	*	*	S	Bend	trans	34.7	122.1	151.8	62.8	0	0	0	0	120.1
136	S	28.6	Very low	29.1	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	71%	0.707	S	S	*	*	S	Bend	trans	85	119.5	160.9	80.5	0	0	0	0	118.6
137	L	26.9	Very low	29.1	Very low	170 Å²	170	129.6 Å²	129.6	89%	0.89	72%	0.719	S	S	*	*			trans	39.5	80.2	149.3	-70.3	162.2	0	0	0	117.7
138	L	28	Very low	29.3	Very low	140 Å²	140	127.7 Å²	127.7	73%	0.733	71%	0.712	S	S	*	*			trans	-113.4	149.8	158	-72.1	174.7	0	0	0	111.3
139	H	27.6	Very low	29.4	Very low	107 Å²	107	129.5 Å²	129.5	50%	0.495	72%	0.72	S	S	.	*			trans	-82.9	157.8	-176.7	-99	-97.4	0	0	0	111.7	T141	H139-T141 PolarHBondContact O-N 3.42Å
140	T	28.8	Very low	29.6	Very low	129 Å²	129	128.4 Å²	128.4	79%	0.791	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	20.2	177.7	54.1	0	0	0	0	114.4
141	T	34.3	Very low	29.6	Very low	100 Å²	100	123.8 Å²	123.8	61%	0.613	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-23.4	-179.7	44.1	0	0	0	0	113.3	H139 I143	H139-T141 PolarHBondContact O-N 3.42Å; T141-I143 VanDerWaalsContact C-N 3.28Å; T141-I143 PolarHBondContact O-N 3.27Å
142	D	29.3	Very low	29.8	Very low	92 Å²	92	122.6 Å²	122.6	49%	0.492	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-92	8.5	-161.3	-50.9	-19.2	0	0	0	112.8	M144	D142-M144 VanDerWaalsContact C-N 3.33Å; D142-M144 PolarHBondContact O-N 3.39Å
143	I	32.1	Very low	30.1	Very low	128 Å²	128	116.6 Å²	116.6	66%	0.656	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-75	-14.6	-170.1	-66.5	171.5	0	0	0	113.4	T141	T141-I143 VanDerWaalsContact C-N 3.28Å; T141-I143 PolarHBondContact O-N 3.27Å
144	M	32.1	Very low	30.4	Very low	171 Å²	171	115.6 Å²	115.6	84%	0.842	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-92.5	3.4	-171.5	-70.8	-163.8	170.9	0	0	116.4	D142	D142-M144 VanDerWaalsContact C-N 3.33Å; D142-M144 PolarHBondContact O-N 3.39Å
145	N	30.7	Very low	30.6	Very low	164 Å²	164	117.5 Å²	117.5	88%	0.877	63%	0.632	S	S	*	*	S	Bend	trans	-127.4	21.6	-171.3	-91.5	-10	0	0	0	115.5
146	S	31.3	Very low	31.2	Very low	69 Å²	69	119.2 Å²	119.2	48%	0.483	63%	0.626	S	S	.	*	S	Bend	trans	-135.3	144.1	173.1	58.1	0	0	0	0	112.8	T148	S146-T148 PolarHBondContact O-N 3.38Å
147	N	28.9	Very low	31.9	Very low	177 Å²	177	123.9 Å²	123.9	95%	0.947	63%	0.633	S	S	*	*			trans	-75	81.2	-176.2	-67.5	-16.6	0	0	0	111.6
148	T	31	Very low	32.5	Very low	84 Å²	84	122.6 Å²	122.6	52%	0.515	63%	0.627	S	S	.	*			trans	-84.9	115.1	172.4	51.4	0	0	0	0	111.1	S146	S146-T148 PolarHBondContact O-N 3.38Å
149	M	29.6	Very low	32.6	Very low	145 Å²	145	122.6 Å²	122.6	71%	0.714	62%	0.623	S	S	*	*			trans	-59.2	137	166.2	-85.6	-179.3	158.7	0	0	110.8	E164	M149-E164 WeakPolarHBondContact CE-OE1 3.21Å
150	I	30.7	Very low	32.9	Very low	90 Å²	90	123.4 Å²	123.4	46%	0.462	63%	0.63	S	S	.	*			trans	-111.2	102.5	169.7	-59.8	176.9	0	0	0	107.7	L127	L127-I150 HydrophobicContact CD1-CG2 3.84Å
151	C	28.9	Very low	33.2	Very low	62 Å²	62	120.4 Å²	120.4	42%	0.419	61%	0.612	S	S	.	*			trans	-91.2	134.4	178	-68.2	0	0	0	0	111	I162	C151-I162 HydrophobicContact CB-CG2 4Å
152	K	31.8	Very low	33.1	Very low	90 Å²	90	121.1 Å²	121.1	39%	0.391	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.1	109.4	176.8	-174.3	161.4	-177.4	159.3	0	110.5	I154 K163	K152-I154 HydrophobicContact CG-CG1 4.14Å; K152-K163 PolarHBondContact N-O 2.83Å; K152-K163 PolarHBondContact O-N 2.87Å
153	L	33.7	Very low	33.5	Very low	75 Å²	75	122.9 Å²	122.9	39%	0.393	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	126.8	171.4	-84.7	152.8	0	0	0	110.2	L160 I162	L153-L160 HydrophobicContact CB-CD2 4.36Å; L153-L160 HydrophobicContact CD2-CB 4.12Å; L153-L160 HydrophobicContact CD2-CD2 4.26Å; L153-I162 HydrophobicContact CD2-CG1 3.61Å; L153-I162 HydrophobicContact CG-CG1 4.16Å
154	I	37.4	Very low	33.6	Very low	62 Å²	62	123.4 Å²	123.4	32%	0.318	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.5	121.9	179.5	-56.8	178.4	0	0	0	108.8	K152 K156 V161 K163	K152-I154 HydrophobicContact CG-CG1 4.14Å; I154-K156 HydrophobicContact CG2-CG 4.47Å; I154-K156 PolarHBondContact O-N 3.42Å; I154-V161 PolarHBondContact N-O 3.4Å; I154-V161 PolarHBondContact O-N 2.87Å; I154-K163 HydrophobicContact CD1-CB 4.45Å; I154-K163 HydrophobicContact CD1-CD 4.07Å; I154-K163 HydrophobicContact CD1-CG 4.26Å
155	R	33.6	Very low	33.5	Very low	201 Å²	201	121.1 Å²	121.1	76%	0.758	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.1	108.2	175.8	-171.3	176.3	-176.7	165.3	0.9	109.9	H159 L160	R155-H159 CarbonylContact C-O 3.57Å; R155-H159 WeakPolarHBondContact CA-O 3.41Å; R155-L160 HydrophobicContact CB-CD2 4.18Å
156	K	40.4	Very low	33.4	Very low	142 Å²	142	121.5 Å²	121.5	62%	0.617	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.6	111.3	171.9	-81.5	-170	172.2	-173.9	0	109.9	I154 N158 H159	I154-K156 HydrophobicContact CG2-CG 4.47Å; I154-K156 PolarHBondContact O-N 3.42Å; K156-N158 PolarHBondContact O-N 3.1Å; K156-H159 PolarHBondContact N-O 2.95Å; K156-H159 PolarHBondContact O-N 3.29Å
157	K	43.4	Very low	33.3	Very low	203 Å²	203	124.3 Å²	124.3	88%	0.883	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	33.2	68.3	166.9	-63.9	-170.3	175.7	-170.7	0	113.5
158	N	38.2	Very low	33.2	Very low	144 Å²	144	120 Å²	120	77%	0.77	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.2	-1.1	-179.9	-57	-8.6	0	0	0	118.5	K156	K156-N158 PolarHBondContact O-N 3.1Å
159	H	30.5	Very low	32.9	Very low	140 Å²	140	122 Å²	122	65%	0.648	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.5	145.4	169.8	-59.7	-78.6	0	0	0	112.5	R155 K156	R155-H159 CarbonylContact C-O 3.57Å; R155-H159 WeakPolarHBondContact CA-O 3.41Å; K156-H159 PolarHBondContact N-O 2.95Å; K156-H159 PolarHBondContact O-N 3.29Å
160	L	33.9	Very low	32.8	Very low	124 Å²	124	121 Å²	121	65%	0.649	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.1	114.1	168.5	-87.6	162.6	0	0	0	108.5	L153 R155	L153-L160 HydrophobicContact CB-CD2 4.36Å; L153-L160 HydrophobicContact CD2-CB 4.12Å; L153-L160 HydrophobicContact CD2-CD2 4.26Å; R155-L160 HydrophobicContact CB-CD2 4.18Å
161	V	34.9	Very low	32.6	Very low	65 Å²	65	123.5 Å²	123.5	39%	0.394	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	121	-179.4	-178.6	0	0	0	0	108.7	I154 K163	I154-V161 PolarHBondContact N-O 3.4Å; I154-V161 PolarHBondContact O-N 2.87Å; V161-K163 PolarHBondContact O-N 2.9Å
162	I	33.1	Very low	32.5	Very low	115 Å²	115	128.4 Å²	128.4	59%	0.59	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70	121.4	166.6	-63.8	173.5	0	0	0	107.5	C151 L153	C151-I162 HydrophobicContact CB-CG2 4Å; L153-I162 HydrophobicContact CD2-CG1 3.61Å; L153-I162 HydrophobicContact CG-CG1 4.16Å
163	K	38.3	Very low	32.3	Very low	129 Å²	129	133.1 Å²	133.1	56%	0.561	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	123	156.9	-88.9	-156	167.1	-159.5	0	109.5	K152 I154 V161	K152-K163 PolarHBondContact N-O 2.83Å; K152-K163 PolarHBondContact O-N 2.87Å; I154-K163 HydrophobicContact CD1-CB 4.45Å; I154-K163 HydrophobicContact CD1-CD 4.07Å; I154-K163 HydrophobicContact CD1-CG 4.26Å; V161-K163 PolarHBondContact O-N 2.9Å
164	E	32.8	Very low	32.1	Very low	140 Å²	140	134.5 Å²	134.5	65%	0.654	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-61	140.6	157.5	-153	168	-155.5	0	0	108.6	M149	M149-E164 WeakPolarHBondContact CE-OE1 3.21Å
165	Q	31	Very low	31.8	Very low	122 Å²	122	139.3 Å²	139.3	57%	0.57	70%	0.702	S	S	*	*			trans	-136.3	96.8	-179.5	-174.5	168.9	-8.1	0	0	108.8	I167	Q165-I167 PolarHBondContact O-N 3.33Å
166	E	27.8	Very low	31.5	Very low	172 Å²	172	132.9 Å²	132.9	80%	0.804	70%	0.698	S	S	*	*			trans	-58.2	124.9	171.9	-67.4	-171.2	122.2	0	0	110	S168	E166-S168 PolarHBondContact O-N 2.9Å
167	I	28.8	Very low	30.9	Very low	129 Å²	129	134.5 Å²	134.5	66%	0.662	71%	0.712	S	S	*	*			trans	-89.5	82.4	170.4	-58.4	178.9	0	0	0	107.3	Q165 T169	Q165-I167 PolarHBondContact O-N 3.33Å; I167-T169 PolarHBondContact O-N 3.17Å; I167-T169 VanDerWaalsContact O-N 3.16Å
168	S	27.3	Very low	30.1	Very low	87 Å²	87	129.9 Å²	129.9	61%	0.608	71%	0.705	S	S	*	*			trans	-62.7	111.5	177.2	-46.4	0	0	0	0	110.6	E166 T170	E166-S168 PolarHBondContact O-N 2.9Å; S168-T170 PolarHBondContact O-N 3.4Å
169	T	25.6	Very low	29.4	Very low	126 Å²	126	128.2 Å²	128.2	77%	0.773	70%	0.703	S	S	*	*			trans	-78.8	83.8	-178.1	54.8	0	0	0	0	111.9	I167 L171	I167-T169 PolarHBondContact O-N 3.17Å; I167-T169 VanDerWaalsContact O-N 3.16Å; T169-L171 PolarHBondContact O-N 2.91Å
170	T	26.9	Very low	29.3	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	71%	0.71	S	S	*	*			trans	-79.1	96.9	173.7	50.5	0	0	0	0	111.4	S168 D172	S168-T170 PolarHBondContact O-N 3.4Å; T170-D172 PolarHBondContact O-N 3.34Å
171	L	25.7	Very low	28.9	Very low	144 Å²	144	127.1 Å²	127.1	75%	0.754	71%	0.709	S	S	*	*			trans	-76.2	109	161	-97.1	78.7	0	0	0	109.4	T169	T169-L171 PolarHBondContact O-N 2.91Å
172	D	28.2	Very low	28.4	Very low	165 Å²	165	131.2 Å²	131.2	88%	0.882	73%	0.728	S	S	*	*			trans	-78.1	136.7	166.3	-95.8	-44.9	0	0	0	111.7	T170	T170-D172 PolarHBondContact O-N 3.34Å
173	K	26.8	Very low	28.3	Very low	189 Å²	189	132.7 Å²	132.7	82%	0.822	74%	0.742	S	S	*	*			trans	-119.4	113.3	-175.5	-62.7	172.4	-175.1	169.4	0	110.3
174	S	30.4	Very low	27.9	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	75%	0.753	S	S	*	*			trans	-156.2	144.3	154.9	56.1	0	0	0	0	111.3
175	N	30.9	Very low	27.6	Very low	163 Å²	163	132.4 Å²	132.4	87%	0.872	76%	0.758	S	S	*	*			trans	56.2	108.1	164.4	-49	-20.3	0	0	0	117.2
176	G	27.5	Very low	27.6	Very low	66 Å²	66	134.2 Å²	134.2	68%	0.68	77%	0.771	S	S	*	*			cis	128.7	130.3	-4.3	0	0	0	0	0	113.1
177	I	26.7	Very low	27.8	Very low	177 Å²	177	132.3 Å²	132.3	91%	0.908	77%	0.771	S	S	*	*			trans	73	129.5	169.7	-49.9	170.2	0	0	0	113.8
178	S	28.1	Very low	27.7	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	78%	0.78	S	S	*	*			cis	-142	160.2	-0.9	49.3	0	0	0	0	112.9
179	C	22.9	Very low	27.7	Very low	109 Å²	109	134.4 Å²	134.4	74%	0.736	78%	0.784	S	S	*	*			trans	-62.7	165.9	168.5	47.7	0	0	0	0	113.2
180	I	27.7	Very low	27.7	Very low	153 Å²	153	134.2 Å²	134.2	79%	0.785	78%	0.782	S	S	*	*				-152.6	122.1	82.8	-81.4	154.8	0	0	0	112.7
181	S	25.8	Very low	27.6	Very low	89 Å²	89	133.8 Å²	133.8	62%	0.622	78%	0.784	S	S	*	*			trans	34.3	144	151	73.3	0	0	0	0	125.5
182	N	25.4	Very low	27.7	Very low	150 Å²	150	137.6 Å²	137.6	80%	0.802	79%	0.789	S	S	*	*			trans	87.1	68.6	144.8	-63.8	-5.9	0	0	0	122
183	V	29.9	Very low	27.6	Very low	147 Å²	147	132.6 Å²	132.6	89%	0.891	78%	0.776	S	S	*	*			trans	-142.1	153.1	137.9	-177	0	0	0	0	109.5
184	N	29.7	Very low	27.7	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	78%	0.779	S	S	*	*			trans	-60.6	141.3	-177.3	-109.8	-35.6	0	0	0	114.6	N186	N184-N186 PolarHBondContact O-N 3.38Å
185	P	27.7	Very low	27.8	Very low	117 Å²	117	134.7 Å²	134.7	76%	0.76	78%	0.779	S	S	*	*	S	Bend	trans	-83.8	78.4	-178.8	34.9	-35.3	0	0	0	112.3
186	N	31	Very low	27.8	Very low	159 Å²	159	135.5 Å²	135.5	85%	0.85	78%	0.777	S	S	*	*			trans	-148.4	19	170.5	-104.7	-43	0	0	0	114.6	N184	N184-N186 PolarHBondContact O-N 3.38Å
187	V	31.1	Very low	27.9	Very low	133 Å²	133	142.1 Å²	142.1	81%	0.806	79%	0.788	S	S	*	*			trans	-137.1	91.4	172	-174.4	0	0	0	0	109.4
188	L	25.9	Very low	28	Very low	160 Å²	160	141.4 Å²	141.4	84%	0.838	79%	0.786	S	S	*	*			trans	-140.6	73.3	168.2	-110.7	171.9	0	0	0	109.9	V190	L188-V190 PolarHBondContact O-N 2.9Å
189	S	27.3	Very low	28.2	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	79%	0.787	S	S	*	*			trans	-65.8	96.3	165.6	51.1	0	0	0	0	109.1	S191	S189-S191 PolarHBondContact O-N 3.26Å
190	V	25.9	Very low	28.5	Very low	121 Å²	121	144.5 Å²	144.5	73%	0.733	79%	0.793	S	S	*	*			trans	-70.4	101.8	175.9	177.9	0	0	0	0	109	L188 R192	L188-V190 PolarHBondContact O-N 2.9Å; V190-R192 PolarHBondContact O-N 3.44Å
191	S	26.2	Very low	28.6	Very low	113 Å²	113	144.2 Å²	144.2	79%	0.79	79%	0.792	S	S	*	*			trans	-63.4	89.8	176.7	-55.7	0	0	0	0	111.4	S189 G193	S189-S191 PolarHBondContact O-N 3.26Å; S191-G193 PolarHBondContact O-N 3.22Å
192	R	26.7	Very low	28.6	Very low	225 Å²	225	146.4 Å²	146.4	85%	0.849	80%	0.802	S	S	*	*			trans	-72.4	77	161.9	-81.5	-170.5	171.4	179.1	-1.1	109.6	V190	V190-R192 PolarHBondContact O-N 3.44Å
193	G	27.2	Very low	28.7	Very low	60 Å²	60	145.3 Å²	145.3	62%	0.619	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58.3	136.2	161.3	0	0	0	0	0	109.4	S191 P195	S191-G193 PolarHBondContact O-N 3.22Å; G193-P195 WeakPolarHBondContact O-CD 3.33Å
194	Y	28.1	Very low	28.5	Very low	223 Å²	223	142.7 Å²	142.7	88%	0.875	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.2	121.6	167.1	-83.3	-99.6	0	0	0	108.1	E196	Y194-E196 PolarHBondContact O-N 3.07Å
195	P	32.8	Very low	28.3	Very low	112 Å²	112	140.8 Å²	140.8	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.3	125.2	165.1	29	-31.5	0	0	0	108	G193	G193-P195 WeakPolarHBondContact O-CD 3.33Å
196	E	29.9	Very low	28.2	Very low	180 Å²	180	140 Å²	140	84%	0.841	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-59.4	146.2	162	-67	-170.2	120.8	0	0	109.2	Y194 N198	Y194-E196 PolarHBondContact O-N 3.07Å; E196-N198 VanDerWaalsContact C-N 3.25Å; E196-N198 PolarHBondContact O-N 2.91Å
197	K	29.6	Very low	28.1	Very low	205 Å²	205	136.4 Å²	136.4	89%	0.891	78%	0.782	S	S	*	*	S	Bend	trans	-72	81.9	173.7	-72.1	-174.3	175.4	-174.5	0	109.9
198	N	29.7	Very low	27.9	Very low	163 Å²	163	136.2 Å²	136.2	87%	0.872	78%	0.782	S	S	*	*			trans	-175.1	79.5	154.4	-93.8	-18.4	0	0	0	112.3	E196	E196-N198 VanDerWaalsContact C-N 3.25Å; E196-N198 PolarHBondContact O-N 2.91Å
199	S	31.2	Very low	27.8	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	78%	0.777	S	S	*	*			trans	-157	110.5	156.1	48	0	0	0	0	111
200	I	30.8	Very low	27.9	Very low	169 Å²	169	134.5 Å²	134.5	87%	0.867	78%	0.778	S	S	*	*			trans	-87.5	114.6	168.1	-65.6	176.5	0	0	0	107.8
201	I	29.7	Very low	27.9	Very low	147 Å²	147	137.7 Å²	137.7	75%	0.754	78%	0.782	S	S	*	*			trans	14	113.2	157.2	-55	176.7	0	0	0	116.4
202	T	24	Very low	27.9	Very low	135 Å²	135	137.5 Å²	137.5	83%	0.828	78%	0.781	S	S	*	*			trans	-73.3	135.5	163.1	-54.3	0	0	0	0	111.6
203	T	27.7	Very low	27.8	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	77%	0.772	S	S	*	*			trans	-147.7	133.3	149.5	14.7	0	0	0	0	112.3
204	A	25.5	Very low	27.7	Very low	92 Å²	92	133.7 Å²	133.7	76%	0.76	78%	0.779	S	S	*	*			trans	51.6	109.8	151.6	0	0	0	0	0	121.3
205	S	26.9	Very low	27.7	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	77%	0.772	S	S	*	*				81.7	119.7	125.1	-148.5	0	0	0	0	121.9
206	S	26.2	Very low	27.4	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	77%	0.77	S	S	*	*			trans	55.9	117.5	133.6	64.7	0	0	0	0	121.9
207	A	28	Very low	27.2	Very low	84 Å²	84	127.2 Å²	127.2	69%	0.694	76%	0.762	S	S	*	*			trans	79.8	120.8	132.3	0	0	0	0	0	120.6
208	T	26.7	Very low	27.3	Very low	130 Å²	130	124.3 Å²	124.3	80%	0.798	76%	0.755	S	S	*	*			trans	52.1	100.9	137.6	58.9	0	0	0	0	120.3
209	S	24.4	Very low	27.2	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	75%	0.749	S	S	*	*				63.9	145.7	113.6	-152	0	0	0	0	121.5
210	T	28.2	Very low	27.4	Very low	117 Å²	117	127.6 Å²	127.6	72%	0.718	76%	0.755	S	S	*	*			trans	77.9	117.1	165.5	68.5	0	0	0	0	119.9
211	K	26.1	Very low	27.4	Very low	187 Å²	187	124.4 Å²	124.4	81%	0.813	74%	0.74	S	S	*	*				66	126.4	129	-67.4	-179.9	176.8	-179.2	0	121.1
212	S	26.5	Very low	27.7	Very low	109 Å²	109	123.8 Å²	123.8	76%	0.762	74%	0.738	S	S	*	*			trans	70	109.8	132.4	-61	0	0	0	0	120.4
213	A	25.9	Very low	28.1	Very low	81 Å²	81	124.2 Å²	124.2	67%	0.669	73%	0.73	S	S	*	*				77.3	115.3	116.1	0	0	0	0	0	120.6
214	T	25.1	Very low	28.5	Very low	124 Å²	124	125.7 Å²	125.7	76%	0.761	73%	0.732	S	S	*	*				80.3	148.4	125.6	56.5	0	0	0	0	122.3
215	I	26.5	Very low	28.8	Very low	140 Å²	140	125.3 Å²	125.3	72%	0.718	72%	0.723	S	S	*	*			trans	88.4	100.2	148.9	-76.2	154.3	0	0	0	118.6
216	T	26.5	Very low	29	Very low	113 Å²	113	126.6 Å²	126.6	69%	0.693	73%	0.727	S	S	*	*			trans	62.3	166	139.4	78.7	0	0	0	0	118.7
217	D	27.2	Very low	29.4	Very low	126 Å²	126	129.2 Å²	129.2	67%	0.674	73%	0.732	S	S	*	*			cis	-155.5	173.6	21.2	-134	-50.5	0	0	0	115.4
218	L	30.1	Very low	29.6	Very low	144 Å²	144	132 Å²	132	75%	0.754	73%	0.734	S	S	*	*			trans	58.9	104.4	163.6	-60.3	161.9	0	0	0	117.7
219	K	28.1	Very low	29.7	Very low	170 Å²	170	130.5 Å²	130.5	74%	0.739	73%	0.729	S	S	*	*				63.7	122.1	69.4	-71.2	-173.8	173.8	175.7	0	117
220	I	36.3	Very low	29.9	Very low	172 Å²	172	133.2 Å²	133.2	88%	0.882	73%	0.73	S	S	*	*				-154.9	149.7	122.4	-98.2	153.6	0	0	0	107.6
221	N	31	Very low	30	Very low	102 Å²	102	134.7 Å²	134.7	55%	0.545	73%	0.728	S	S	.	*			trans	-116.9	158.9	-158.8	-57	-4.9	0	0	0	114.1
222	N	34.5	Very low	30.3	Very low	134 Å²	134	130.4 Å²	130.4	72%	0.717	72%	0.722	S	S	*	*				170.8	127.3	115.2	-84.9	3.8	0	0	0	109.1
223	E	33	Very low	30.4	Very low	143 Å²	143	129.8 Å²	129.8	67%	0.668	72%	0.717	S	S	*	*				69.6	147.2	67.7	-65.3	-176.7	-172.8	0	0	112.9
224	I	36.3	Very low	30.8	Very low	159 Å²	159	132.6 Å²	132.6	82%	0.815	72%	0.721	S	S	*	*			cis	-139.7	175.6	18.1	-39.4	157.4	0	0	0	109
225	S	31.1	Very low	31.2	Very low	83 Å²	83	133.6 Å²	133.6	58%	0.58	72%	0.722	S	S	*	*				-166.4	153.4	-85	-79	0	0	0	0	111.5
226	T	31.3	Very low	31.8	Very low	134 Å²	134	134.1 Å²	134.1	82%	0.822	73%	0.726	S	S	*	*			trans	61.6	145.6	157.4	52	0	0	0	0	122.6
227	I	34.8	Very low	32.4	Very low	155 Å²	155	134.8 Å²	134.8	80%	0.795	73%	0.726	S	S	*	*				-163.7	123.8	123.7	-101.7	157.5	0	0	0	110.9
228	L	32.6	Very low	32.8	Very low	143 Å²	143	135.5 Å²	135.5	75%	0.749	73%	0.729	S	S	*	*			trans	33.4	141.5	157.4	-69.8	89.9	0	0	0	122.1
229	S	28.9	Very low	33	Very low	97 Å²	97	132 Å²	132	68%	0.678	72%	0.721	S	S	*	*			cis	78.7	137.6	17.3	88	0	0	0	0	117.8
230	Q	28.8	Very low	33.3	Very low	165 Å²	165	131.9 Å²	131.9	77%	0.771	72%	0.723	S	S	*	*			cis	-129.3	-124.4	5.5	-151.3	-178.7	63.7	0	0	110
231	Q	30.6	Very low	33.1	Very low	148 Å²	148	130.1 Å²	130.1	69%	0.692	72%	0.715	S	S	*	*			cis	-162.7	156	-3.3	-163.3	144.2	76.2	0	0	109.2
232	S	30.5	Very low	32.8	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	73%	0.732	S	S	*	*			trans	51.4	115.3	163.8	44.2	0	0	0	0	119.1
233	S	28.7	Very low	32.7	Very low	95 Å²	95	132.3 Å²	132.3	66%	0.664	73%	0.734	S	S	*	*				77.1	148.7	69.2	81.9	0	0	0	0	113.1
234	D	35.3	Very low	32.4	Very low	141 Å²	141	130.5 Å²	130.5	75%	0.754	74%	0.737	S	S	*	*			cis	-135.1	-173.3	16.8	-67.9	-91.7	0	0	0	112.6
235	D	33.3	Very low	32	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	73%	0.731	S	S	*	*			trans	-69.1	167.7	-171.2	-48.8	-93.6	0	0	0	115
236	D	38.3	Very low	31.8	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	74%	0.74	S	S	*	*				-164.8	157.9	78.3	-102.8	-32.7	0	0	0	115.7
237	D	40.6	Very low	31.5	Very low	128 Å²	128	134.1 Å²	134.1	68%	0.684	74%	0.739	S	S	*	*			trans	66.8	106.1	149.1	-89.5	-16.7	0	0	0	124.4
238	N	35.1	Very low	31.1	Very low	140 Å²	140	132 Å²	132	75%	0.749	72%	0.721	S	S	*	*			trans	70.4	145	135.6	-60.2	-56.2	0	0	0	122.1
239	A	33.7	Very low	30.9	Very low	71 Å²	71	131.9 Å²	131.9	59%	0.587	72%	0.722	S	S	*	*			cis	-171.1	147.4	-22.1	0	0	0	0	0	109.6
240	H	35	Very low	30.9	Very low	167 Å²	167	135.1 Å²	135.1	77%	0.773	73%	0.731	S	S	*	*			trans	30.9	131.8	152.2	-64.5	-68.8	0	0	0	121.2
241	D	31.8	Very low	30.9	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	73%	0.725	S	S	*	*			cis	-151.1	148.7	4.3	-95.4	-40.3	0	0	0	110.7
242	I	25	Very low	30.9	Very low	176 Å²	176	128.6 Å²	128.6	90%	0.903	73%	0.727	S	S	*	*			trans	-125.1	118.5	168.6	-63	177.2	0	0	0	108.5
243	S	31.7	Very low	30.8	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	73%	0.728	S	S	*	*			trans	-143.1	150.4	168.7	56.4	0	0	0	0	111.8
244	S	27.9	Very low	30.7	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	74%	0.737	S	S	*	*			trans	-23	153.3	172	58.3	0	0	0	0	118.6
245	C	26.6	Very low	30.5	Very low	103 Å²	103	137.2 Å²	137.2	70%	0.696	74%	0.736	S	S	*	*			cis	-149.3	157.9	28.2	-40.4	0	0	0	0	114.6
246	D	26.5	Very low	30.3	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	74%	0.736	S	S	*	*			trans	63.8	152	143.9	-63.9	-38.1	0	0	0	123.9
247	Y	26.3	Very low	29.9	Very low	205 Å²	205	137.5 Å²	137.5	80%	0.804	73%	0.729	S	S	*	*			trans	72.6	117.2	165	-78.8	-75	0	0	0	120.5
248	R	26.1	Very low	29.4	Very low	110 Å²	110	137.8 Å²	137.8	42%	0.415	74%	0.735	S	S	.	*			trans	80	113.3	161	-48.4	160.8	-172.2	-173.3	2.1	113.8	E973	R248-E973 IonicContact CZ-OE2 2.79Å; R248-E973 PolarHBondContact NH1-O 3.05Å; R248-E973 IonicContact NH1-OE2 3.77Å; R248-E973 PolarHBondContact NH1-OE2 3.26Å; R248-E973 PolarHBondContact NH2-O 3.16Å
249	N	28.6	Very low	29.2	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	73%	0.73	S	S	*	*				-157.8	142.9	71	-80.4	-44.7	0	0	0	112.3
250	D	28.7	Very low	29	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	73%	0.733	S	S	*	*			trans	-170	88	147.3	-109.4	-23.1	0	0	0	108.8
251	V	29.5	Very low	28.7	Very low	104 Å²	104	138.1 Å²	138.1	63%	0.63	73%	0.734	S	S	*	*			trans	-129.2	100.8	168.5	176.3	0	0	0	0	105.6	I253	V251-I253 PolarHBondContact O-N 3Å
252	G	29.6	Very low	28.5	Very low	71 Å²	71	139.1 Å²	139.1	73%	0.732	74%	0.737	S	S	*	*			trans	-56.2	108.3	177.3	0	0	0	0	0	110.2	Y254	G252-Y254 PolarHBondContact O-N 3.27Å
253	I	29.2	Very low	28.7	Very low	137 Å²	137	135.9 Å²	135.9	70%	0.703	72%	0.722	S	S	*	*			trans	-71.5	106.3	-178	-60.9	179	0	0	0	107.6	V251 H255	V251-I253 PolarHBondContact O-N 3Å; I253-H255 VanDerWaalsContact C-N 3.27Å; I253-H255 PolarHBondContact O-N 3.02Å
254	Y	27	Very low	28.7	Very low	221 Å²	221	137.2 Å²	137.2	87%	0.867	72%	0.721	S	S	*	*			trans	-61.5	95.1	160.9	-96	-96.3	0	0	0	108.3	G252 K256	G252-Y254 PolarHBondContact O-N 3.27Å; Y254-K256 PolarHBondContact O-N 3.26Å
255	H	29.7	Very low	28.7	Very low	156 Å²	156	139.4 Å²	139.4	72%	0.722	73%	0.729	S	S	*	*			trans	-59.1	102.4	162.1	-102.5	-111.5	0	0	0	107.6	I253 N257	I253-H255 VanDerWaalsContact C-N 3.27Å; I253-H255 PolarHBondContact O-N 3.02Å; H255-N257 PolarHBondContact O-N 2.94Å
256	K	30.2	Very low	28.8	Very low	181 Å²	181	140.1 Å²	140.1	79%	0.787	73%	0.73	S	S	*	*			trans	-68.8	106.3	156.3	-81.1	-170.2	171.2	-170.7	0	106.3	Y254 V258	Y254-K256 PolarHBondContact O-N 3.26Å; K256-V258 PolarHBondContact O-N 3.16Å; K256-V258 VanDerWaalsContact O-N 3.1Å
257	N	30	Very low	28.8	Very low	120 Å²	120	139 Å²	139	64%	0.642	73%	0.733	S	S	*	*			trans	-53.8	117.5	163.9	-84.5	39.8	0	0	0	108.6	H255 D259	H255-N257 PolarHBondContact O-N 2.94Å; N257-D259 VanDerWaalsContact CB-OD2 3.32Å; N257-D259 WeakPolarHBondContact CB-OD2 3.46Å; N257-D259 PolarHBondContact ND2-OD2 3.36Å; N257-D259 PolarHBondContact O-N 3.46Å
258	V	29.2	Very low	29	Very low	135 Å²	135	135 Å²	135	82%	0.818	74%	0.735	S	S	*	*			trans	-95	55.2	171.5	-171.9	0	0	0	0	107.2	K256 G260	K256-V258 PolarHBondContact O-N 3.16Å; K256-V258 VanDerWaalsContact O-N 3.1Å; V258-G260 PolarHBondContact O-N 3.23Å
259	D	31.5	Very low	29.1	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	76%	0.756	S	S	*	*			trans	-82.4	72.4	174	-63.2	-36.1	0	0	0	107.8	N257 Y261	N257-D259 VanDerWaalsContact CB-OD2 3.32Å; N257-D259 WeakPolarHBondContact CB-OD2 3.46Å; N257-D259 PolarHBondContact ND2-OD2 3.36Å; N257-D259 PolarHBondContact O-N 3.46Å; D259-Y261 PolarHBondContact O-N 3Å
260	G	28.6	Very low	29.1	Very low	62 Å²	62	138.7 Å²	138.7	64%	0.639	76%	0.762	S	S	*	*			trans	-71.8	91.5	172.5	0	0	0	0	0	109.4	V258 I262	V258-G260 PolarHBondContact O-N 3.23Å; G260-I262 VanDerWaalsContact C-N 3.25Å; G260-I262 PolarHBondContact O-N 3.16Å
261	Y	29.7	Very low	29	Very low	202 Å²	202	138.3 Å²	138.3	79%	0.792	76%	0.76	S	S	*	*			trans	-63.5	88.8	169.9	-117.1	-106.3	0	0	0	109.7	D259 D263	D259-Y261 PolarHBondContact O-N 3Å; Y261-D263 HydrophobicContact CD1-CB 4.34Å; Y261-D263 WeakPolarHBondContact CD1-OD2 3.4Å; Y261-D263 WeakPolarHBondContact CE1-OD2 3.44Å
262	I	27.9	Very low	29	Very low	155 Å²	155	141.9 Å²	141.9	80%	0.795	77%	0.769	S	S	*	*			trans	-77.9	113.5	150.6	-60.9	169.7	0	0	0	104.4	G260	G260-I262 VanDerWaalsContact C-N 3.25Å; G260-I262 PolarHBondContact O-N 3.16Å
263	D	28.8	Very low	29.1	Very low	108 Å²	108	144.4 Å²	144.4	58%	0.578	77%	0.771	S	S	*	*			trans	-143.9	127.8	157.9	-89.3	-29	0	0	0	109.4	Y261	Y261-D263 HydrophobicContact CD1-CB 4.34Å; Y261-D263 WeakPolarHBondContact CD1-OD2 3.4Å; Y261-D263 WeakPolarHBondContact CE1-OD2 3.44Å
264	D	31.3	Very low	28.8	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	78%	0.78	S	S	*	*			trans	49.6	95.9	147.9	-58.6	-17.9	0	0	0	121.1
265	V	26.8	Very low	28.9	Very low	151 Å²	151	140.1 Å²	140.1	92%	0.915	77%	0.772	S	S	*	*			trans	-120.6	67.4	138.8	-173.4	0	0	0	0	108.7
266	V	28.7	Very low	28.8	Very low	119 Å²	119	137.6 Å²	137.6	72%	0.721	77%	0.771	S	S	*	*	S	Bend	trans	-140	104	167	-175.4	0	0	0	0	111
267	S	28.4	Very low	28.6	Very low	119 Å²	119	134.5 Å²	134.5	83%	0.832	77%	0.772	S	S	*	*			trans	32.9	109.5	148.4	-51	0	0	0	0	120.6
268	S	29.5	Very low	28.4	Very low	121 Å²	121	134.8 Å²	134.8	85%	0.846	77%	0.773	S	S	*	*			trans	-147.6	54	155.7	72.6	0	0	0	0	113.4
269	D	28.4	Very low	28.4	Very low	160 Å²	160	131 Å²	131	86%	0.856	75%	0.748	S	S	*	*			trans	-83.2	128.4	152.5	-85.9	-44.3	0	0	0	108.1
270	I	28.4	Very low	28.4	Very low	169 Å²	169	130.2 Å²	130.2	87%	0.867	74%	0.744	S	S	*	*			trans	131.5	94.6	170.9	-72.1	156.9	0	0	0	108.6
271	D	27.1	Very low	28.6	Very low	157 Å²	157	131 Å²	131	84%	0.84	74%	0.736	S	S	*	*			trans	-139.5	80	170.6	-154.3	-2.7	0	0	0	109.4
272	Q	30	Very low	28.6	Very low	179 Å²	179	126.1 Å²	126.1	84%	0.836	73%	0.732	S	S	*	*			trans	-161.9	141.7	167.1	-127	155.4	101.8	0	0	115
273	V	29.8	Very low	28.7	Very low	125 Å²	125	125.1 Å²	125.1	76%	0.758	73%	0.728	S	S	*	*			trans	68.8	87.5	169.4	-164.7	0	0	0	0	116.7
274	N	24.1	Very low	28.9	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	74%	0.738	S	S	*	*			trans	-62.8	126.1	151.5	-71.8	-70.9	0	0	0	111.2
275	S	28.1	Very low	28.8	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	74%	0.741	S	S	*	*			trans	-174.7	147.2	136.2	57.7	0	0	0	0	114.4
276	S	28.5	Very low	29	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	73%	0.734	S	S	*	*			trans	57.3	85.2	153	61.5	0	0	0	0	120.2
277	C	25.1	Very low	29.1	Very low	117 Å²	117	131.3 Å²	131.3	79%	0.791	73%	0.732	S	S	*	*				59.9	131.8	111.9	-63	0	0	0	0	123.1
278	N	26.6	Very low	29.1	Very low	126 Å²	126	131.9 Å²	131.9	67%	0.674	73%	0.725	S	S	*	*			trans	80.4	113.7	134.5	-76.1	47.8	0	0	0	121
279	D	29.4	Very low	29	Very low	56 Å²	56	131.1 Å²	131.1	30%	0.299	71%	0.712	S	S	.	*				142.4	81.9	87.7	-109.7	-28	0	0	0	119.2	Q328 S329 N330	D279-Q328 VanDerWaalsContact CG-C 3.49Å; D279-Q328 WeakPolarHBondContact OD1-CA 3.41Å; D279-Q328 PolarHBondContact OD1-N 2.95Å; D279-S329 WeakPolarHBondContact O-CA 3.48Å; D279-N330 PolarHBondContact O-N 3.25Å
280	N	31.3	Very low	28.9	Very low	103 Å²	103	127 Å²	127	55%	0.551	70%	0.695	S	S	*	*				69.7	157.2	120.4	-89.9	-53.6	0	0	0	124.7	Q328	N280-Q328 HydrophobicContact CB-CB 4.42Å; N280-Q328 HydrophobicContact CB-CG 4.01Å
281	T	31.8	Very low	28.8	Very low	78 Å²	78	127.9 Å²	127.9	48%	0.479	69%	0.693	S	S	.	*			trans	74.4	143	170.1	69.7	0	0	0	0	117.1	Q328	T281-Q328 HydrophobicContact CG2-CG 3.95Å
282	S	29.9	Very low	28.9	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	69%	0.691	S	S	*	*			cis	-163	174.5	-13.1	-99.5	0	0	0	0	107.8
283	L	31.1	Very low	28.8	Very low	134 Å²	134	126.9 Å²	126.9	70%	0.702	68%	0.681	S	S	*	*			cis	-167.5	116.9	34.3	-156.9	134.9	0	0	0	113.3
284	K	32.8	Very low	28.9	Very low	181 Å²	181	128.1 Å²	128.1	79%	0.787	68%	0.683	S	S	*	*			trans	59.7	130.9	154.5	-54.5	179.6	-169.3	178.1	0	119.3
285	Q	29.2	Very low	29.1	Very low	169 Å²	169	126.3 Å²	126.3	79%	0.79	67%	0.674	S	S	*	*			cis	73.2	117.4	32.1	-147.3	98.7	33.6	0	0	113.3
286	Q	30.5	Very low	29.1	Very low	165 Å²	165	130.3 Å²	130.3	77%	0.771	68%	0.679	S	S	*	*				-179.4	166.2	80.9	-82.9	-168.5	-20.3	0	0	108.5
287	N	30.7	Very low	29.2	Very low	127 Å²	127	133.9 Å²	133.9	68%	0.679	68%	0.681	S	S	*	*			cis	-156.7	-160.5	-5.3	-110.5	8.7	0	0	0	109.7
288	L	28.7	Very low	29.3	Very low	131 Å²	131	134.8 Å²	134.8	69%	0.686	68%	0.677	S	S	*	*			trans	-128.4	163.6	-166.3	-93.9	162.8	0	0	0	116.7
289	D	27.3	Very low	29.3	Very low	106 Å²	106	136 Å²	136	57%	0.567	68%	0.679	S	S	*	*			trans	64	149.8	152.4	-59.7	-33.8	0	0	0	123.4	S317	D289-S317 CarbonylContact O-C 3.47Å; D289-S317 WeakPolarHBondContact O-CA 3.37Å; D289-S317 PolarHBondContact O-N 3.18Å
290	S	26.9	Very low	29.3	Very low	73 Å²	73	141.5 Å²	141.5	51%	0.51	70%	0.703	S	S	.	*			trans	155.7	99.3	161.3	-61	0	0	0	0	117.6	S317	S290-S317 WeakPolarHBondContact CA-O 3.45Å; S290-S317 VanDerWaalsContact CB-C 3.47Å; S290-S317 WeakPolarHBondContact CB-O 3.17Å
291	F	27.2	Very low	29.3	Very low	187 Å²	187	141.6 Å²	141.6	82%	0.82	71%	0.712	S	S	*	*			trans	83.4	162	149.1	-86.9	-72	0	0	0	123.7
292	F	28.2	Very low	28.9	Very low	179 Å²	179	144.4 Å²	144.4	79%	0.785	73%	0.733	S	S	*	*			trans	-105.7	177.9	-157.9	-115.9	-108.4	0	0	0	113.3
293	E	27.5	Very low	28.8	Very low	137 Å²	137	144.4 Å²	144.4	64%	0.64	73%	0.733	S	S	*	*			trans	58.9	108.2	157.4	-123.4	77.3	-113.8	0	0	117
294	N	32.3	Very low	28.7	Very low	150 Å²	150	144 Å²	144	80%	0.802	74%	0.736	S	S	*	*				-172.2	177.8	86.4	-109.4	-76	0	0	0	116.1
295	N	27.8	Very low	28.5	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	73%	0.732	S	S	*	*			trans	-94.9	155.8	-167.2	-97.1	-95.4	0	0	0	116.8
296	K	27.8	Very low	28.4	Very low	184 Å²	184	138.5 Å²	138.5	80%	0.8	73%	0.73	S	S	*	*			trans	87.3	141.7	140.1	-100	170.6	-178.8	162.9	0	122.4
297	K	30.3	Very low	28.3	Very low	177 Å²	177	136.4 Å²	136.4	77%	0.77	73%	0.729	S	S	*	*			trans	82.5	118	151.3	-80.5	-174.4	165.9	-173.5	0	119.8
298	L	28.7	Very low	28.2	Very low	135 Å²	135	137 Å²	137	71%	0.707	74%	0.737	S	S	*	*				62.3	140.9	124.4	-61.4	175	0	0	0	118.5
299	Q	25.7	Very low	28.3	Very low	151 Å²	151	136 Å²	136	71%	0.706	74%	0.738	S	S	*	*			cis	-164.7	178.9	-8.7	-173.4	170.5	-15.7	0	0	106.6
300	E	30.8	Very low	28.3	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.804	75%	0.747	S	S	*	*			trans	70.7	154.9	167	-50.3	-175.8	164.7	0	0	116.3
301	S	30.4	Very low	28.2	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	76%	0.758	S	S	*	*				-160.9	151.1	-52.9	49.5	0	0	0	0	107.7
302	C	22.9	Very low	28.2	Very low	136 Å²	136	137.2 Å²	137.2	92%	0.919	76%	0.755	S	S	*	*			trans	-75.4	129.1	-176.7	-58.1	0	0	0	0	113
303	S	28.9	Very low	28.2	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	75%	0.751	S	S	*	*			trans	-155.4	112.6	137.7	60.1	0	0	0	0	114
304	T	29.3	Very low	28.3	Very low	125 Å²	125	132.4 Å²	132.4	77%	0.767	75%	0.753	S	S	*	*			trans	69.3	137.8	139.5	50.7	0	0	0	0	123.2
305	T	28.2	Very low	28.1	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	76%	0.755	S	S	*	*			trans	75.4	92.6	142.5	44.6	0	0	0	0	121.8
306	T	26.7	Very low	28.3	Very low	120 Å²	120	129.6 Å²	129.6	74%	0.736	75%	0.747	S	S	*	*				72.3	133.5	123.4	46	0	0	0	0	123.2
307	T	27.7	Very low	28.6	Very low	121 Å²	121	123.9 Å²	123.9	74%	0.742	73%	0.73	S	S	*	*			trans	81.2	133.5	146.1	36.1	0	0	0	0	121.8
308	T	28.7	Very low	29	Very low	138 Å²	138	119.1 Å²	119.1	85%	0.847	72%	0.717	S	S	*	*			trans	72.9	149.9	164	50.7	0	0	0	0	119.2
309	P	30.9	Very low	29.3	Very low	111 Å²	111	118.9 Å²	118.9	72%	0.721	72%	0.721	S	S	*	*			trans	-119.1	-164.7	-164.6	38.3	-19.9	0	0	0	113.5
310	I	26.5	Very low	29.8	Very low	145 Å²	145	116.6 Å²	116.6	74%	0.744	72%	0.722	S	S	*	*			trans	116.8	140.6	162.3	-61.6	156.9	0	0	0	115
311	T	26.7	Very low	30.1	Very low	121 Å²	121	113.1 Å²	113.1	74%	0.742	72%	0.716	S	S	*	*			trans	65.5	126.8	172.9	40.1	0	0	0	0	117.4
312	V	26.3	Very low	30.3	Very low	125 Å²	125	115.7 Å²	115.7	76%	0.758	72%	0.721	S	S	*	*				76.1	132.6	54.8	175.6	0	0	0	0	110.7
313	S	27.3	Very low	30.7	Very low	100 Å²	100	112.5 Å²	112.5	70%	0.699	70%	0.7	S	S	*	*			cis	-141.1	154.8	30.3	-8.8	0	0	0	0	113.2
314	V	29.6	Very low	30.9	Very low	115 Å²	115	116.4 Å²	116.4	70%	0.697	71%	0.705	S	S	*	*				56.5	118.8	81.8	-171.8	0	0	0	0	112.6
315	T	29.4	Very low	31.1	Very low	136 Å²	136	117 Å²	117	83%	0.834	70%	0.703	S	S	*	*				-129.3	-162.9	86	49	0	0	0	0	115.5
316	T	31.5	Very low	31.4	Very low	86 Å²	86	117.1 Å²	117.1	53%	0.528	70%	0.704	S	S	.	*			trans	-165.6	173.9	-156.2	49.9	0	0	0	0	110.7
317	S	33.6	Very low	31.8	Very low	65 Å²	65	114.3 Å²	114.3	46%	0.455	69%	0.689	S	S	.	*			trans	138.5	152.2	132.1	73.5	0	0	0	0	116.9	D289 S290	D289-S317 CarbonylContact O-C 3.47Å; D289-S317 WeakPolarHBondContact O-CA 3.37Å; D289-S317 PolarHBondContact O-N 3.18Å; S290-S317 WeakPolarHBondContact CA-O 3.45Å; S290-S317 VanDerWaalsContact CB-C 3.47Å; S290-S317 WeakPolarHBondContact CB-O 3.17Å
318	P	39.3	Very low	32	Very low	76 Å²	76	113.9 Å²	113.9	49%	0.494	68%	0.679	S	S	.	*				-150.3	-163.3	-63.2	41.9	-21.9	0	0	0	116
319	V	35.3	Very low	32.3	Very low	130 Å²	130	109.3 Å²	109.3	79%	0.788	65%	0.652	S	S	*	*			trans	69.3	151.3	155.4	-61.9	0	0	0	0	120.6
320	S	36.5	Very low	32.4	Very low	103 Å²	103	110.2 Å²	110.2	72%	0.72	65%	0.651	S	S	*	*			cis	-162.6	173.4	14.3	-0.9	0	0	0	0	110.8
321	S	36.3	Very low	32.7	Very low	99 Å²	99	107.6 Å²	107.6	69%	0.692	65%	0.645	S	S	*	*			cis	-178.5	-170.8	-25.4	59.1	0	0	0	0	110.8
322	L	34.2	Very low	33	Very low	160 Å²	160	110.5 Å²	110.5	84%	0.838	65%	0.648	S	S	*	*			trans	79.3	127.5	170.8	-64.1	121.6	0	0	0	121
323	S	32.7	Very low	33.3	Very low	70 Å²	70	111.4 Å²	111.4	49%	0.49	64%	0.644	S	S	.	*			cis	-176	159.7	-34.4	35.6	0	0	0	0	115.3
324	F	32.6	Very low	33.5	Very low	182 Å²	182	110.3 Å²	110.3	80%	0.798	64%	0.637	S	S	*	*			trans	84.4	157.7	168.6	-48	-58.3	0	0	0	116.2
325	N	32.8	Very low	33.5	Very low	137 Å²	137	110.8 Å²	110.8	73%	0.733	64%	0.635	S	S	*	*			cis	-169.3	-172.5	-11	-108.4	8	0	0	0	108.4
326	V	34.2	Very low	33.6	Very low	119 Å²	119	111.8 Å²	111.8	72%	0.721	63%	0.63	S	S	*	*			cis	169.7	145.6	-35.2	148.7	0	0	0	0	105.3
327	S	35.2	Very low	33.6	Very low	62 Å²	62	114.3 Å²	114.3	43%	0.434	64%	0.636	S	S	.	*			cis	-177.4	179.9	-12	-81.1	0	0	0	0	107.1
328	Q	33.3	Very low	33.3	Very low	112 Å²	112	117.5 Å²	117.5	52%	0.523	64%	0.644	S	S	.	*			cis	176.8	152.2	-23.5	-88.4	174.2	88.8	0	0	105.2	D279 N280 T281	D279-Q328 VanDerWaalsContact CG-C 3.49Å; D279-Q328 WeakPolarHBondContact OD1-CA 3.41Å; D279-Q328 PolarHBondContact OD1-N 2.95Å; N280-Q328 HydrophobicContact CB-CB 4.42Å; N280-Q328 HydrophobicContact CB-CG 4.01Å; T281-Q328 HydrophobicContact CG2-CG 3.95Å
329	S	33.6	Very low	32.8	Very low	41 Å²	41	121 Å²	121	29%	0.287	65%	0.653	S	S	.	*			cis	-178.7	167	-0.3	47	0	0	0	0	110	D279	D279-S329 WeakPolarHBondContact O-CA 3.48Å
330	N	32.8	Very low	32.5	Very low	130 Å²	130	121 Å²	121	70%	0.695	65%	0.645	S	S	*	*			trans	93	157.8	167	-60.2	-83.2	0	0	0	119.7	D279	D279-N330 PolarHBondContact O-N 3.25Å
331	S	33.2	Very low	32.1	Very low	90 Å²	90	123.5 Å²	123.5	63%	0.629	64%	0.643	S	S	*	*			cis	-175.9	173.4	-27.6	67.3	0	0	0	0	113.5
332	F	33.9	Very low	31.7	Very low	182 Å²	182	126.4 Å²	126.4	80%	0.798	65%	0.645	S	S	*	*			trans	72	154.4	157.7	-91.1	-132.5	0	0	0	120.4
333	E	31.9	Very low	31.4	Very low	144 Å²	144	125.1 Å²	125.1	67%	0.673	64%	0.638	S	S	*	*			cis	-164.7	172.1	-20.2	-138	-139.6	106.3	0	0	115.6
334	S	31.8	Very low	31.3	Very low	78 Å²	78	128 Å²	128	55%	0.545	64%	0.643	S	S	.	*			trans	61	112.4	150.3	-103.9	0	0	0	0	128.4
335	N	29.8	Very low	31.3	Very low	124 Å²	124	124.9 Å²	124.9	66%	0.663	63%	0.631	S	S	*	*				89.6	120	123.4	-89.6	-57.8	0	0	0	126.8
336	Q	30.9	Very low	31.2	Very low	157 Å²	157	122.7 Å²	122.7	73%	0.734	62%	0.619	S	S	*	*			trans	71.2	149.6	135.4	-81	179	71.2	0	0	122.2
337	H	31.5	Very low	31.1	Very low	140 Å²	140	124.3 Å²	124.3	65%	0.648	62%	0.619	S	S	*	*			cis	-158.5	149.4	-11.2	-148.2	49.9	0	0	0	113.5
338	Q	27.9	Very low	30.9	Very low	131 Å²	131	132.3 Å²	132.3	61%	0.612	64%	0.64	S	S	*	*			trans	47.6	137.4	144.9	-83.1	-170.7	14.2	0	0	126.5
339	Q	28.9	Very low	30.6	Very low	150 Å²	150	133.3 Å²	133.3	70%	0.701	65%	0.647	S	S	*	*			trans	65.9	163	140.3	-67.9	-168.6	84.8	0	0	120.6
340	Q	27.8	Very low	30.3	Very low	130 Å²	130	138.8 Å²	138.8	61%	0.607	67%	0.672	S	S	*	*			cis	-169.4	142.7	-42	-165	-176.5	115.8	0	0	107.8
341	K	28.6	Very low	30	Very low	156 Å²	156	138.3 Å²	138.3	68%	0.678	67%	0.674	S	S	*	*			trans	67.2	116.3	156.9	-92.1	172.1	-170.3	148.2	0	122.1
342	Q	27.2	Very low	29.8	Very low	159 Å²	159	139.2 Å²	139.2	74%	0.743	68%	0.68	S	S	*	*				84.5	140.5	121	-105.2	176.4	-40	0	0	123.4
343	I	28	Very low	29.6	Very low	134 Å²	134	134.7 Å²	134.7	69%	0.687	67%	0.671	S	S	*	*			trans	93.1	101.7	149.3	-64.6	158.7	0	0	0	119.6
344	H	31.2	Very low	29.5	Very low	129 Å²	129	135.4 Å²	135.4	60%	0.597	68%	0.679	S	S	*	*			trans	69.9	141.3	136.1	-78.8	-117.2	0	0	0	124.6	D432	H344-D432 VanDerWaalsContact CA-OD2 3.23Å; H344-D432 WeakPolarHBondContact CA-OD2 3.34Å; H344-D432 WeakPolarHBondContact CB-OD2 3.41Å; H344-D432 IonicContact CD2-OD2 3.01Å; H344-D432 IonicContact CE1-OD1 2.76Å; H344-D432 PolarHBondContact CE1-OD1 3.2Å; H344-D432 IonicContact CE1-OD2 3.92Å; H344-D432 IonicContact CG-OD1 3.89Å; H344-D432 IonicContact CG-OD2 3.9Å; H344-D432 IonicContact ND1-OD1 2.65Å; H344-D432 PolarHBondContact ND1-OD1 2.86Å; H344-D432 IonicContact ND1-OD2 3.01Å; H344-D432 PolarHBondContact ND1-OD2 2.78Å; H344-D432 IonicContact NE2-OD1 2.65Å
345	H	33.7	Very low	29.4	Very low	118 Å²	118	137 Å²	137	55%	0.546	69%	0.689	S	S	.	*			trans	105.4	151.3	142.1	-88.8	32.6	0	0	0	121.9	D432 N433 N434	H345-D432 VanDerWaalsContact CA-OD2 3.31Å; H345-D432 WeakPolarHBondContact CA-OD2 3.46Å; H345-D432 IonicContact CE1-OD1 2.76Å; H345-D432 IonicContact CE1-OD2 2.81Å; H345-D432 IonicContact CG-OD2 3.95Å; H345-D432 PolarHBondContact N-OD2 3.46Å; H345-D432 IonicContact ND1-OD1 2.83Å; H345-D432 IonicContact ND1-OD2 3.51Å; H345-D432 PolarHBondContact ND1-OD2 2.88Å; H345-N433 PolarHBondContact CE1-O 2.84Å; H345-N433 PolarHBondContact NE2-O 3.43Å; H345-N434 PolarHBondContact NE2-ND2 2.83Å; H345-N434 VanDerWaalsContact NE2-ND2 3.11Å
346	D	30.2	Very low	29.6	Very low	90 Å²	90	135.1 Å²	135.1	48%	0.481	69%	0.685	S	S	.	*			trans	-131.9	170.8	-139	-166.1	-12.1	0	0	0	111.7	D432	D346-D432 HydrophobicContact CB-CB 3.8Å; D346-D432 PolarHBondContact OD2-N 3.38Å
347	H	32.7	Very low	29.7	Very low	153 Å²	153	133.7 Å²	133.7	71%	0.708	69%	0.687	S	S	*	*			trans	87.4	137.6	160.4	-66.7	-4.7	0	0	0	120.1
348	R	29.4	Very low	29.7	Very low	231 Å²	231	133.7 Å²	133.7	87%	0.872	69%	0.692	S	S	*	*			trans	74.4	152.8	156.4	-74.7	-174.3	159.9	167.9	-4.9	118.4
349	I	27.7	Very low	30	Very low	133 Å²	133	131.9 Å²	131.9	68%	0.682	69%	0.694	S	S	*	*			cis	-179.6	164	-31.6	-121.5	178.1	0	0	0	105.9
350	L	27.6	Very low	30.1	Very low	156 Å²	156	128.5 Å²	128.5	82%	0.817	69%	0.687	S	S	*	*			trans	70	153.6	179.9	-64.1	167.1	0	0	0	115.6
351	V	26.5	Very low	30.2	Very low	119 Å²	119	132 Å²	132	72%	0.721	70%	0.696	S	S	*	*			cis	-168.7	176.3	-33.3	83.7	0	0	0	0	109.1
352	S	29	Very low	30.4	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	70%	0.699	S	S	*	*			trans	77.5	160.5	167.1	86.6	0	0	0	0	116
353	S	28.8	Very low	30.5	Very low	87 Å²	87	128.6 Å²	128.6	61%	0.608	70%	0.698	S	S	*	*			cis	-156.6	149.1	4.7	88.3	0	0	0	0	112.7
354	L	29.7	Very low	30.7	Very low	158 Å²	158	127.4 Å²	127.4	83%	0.827	70%	0.701	S	S	*	*			trans	65.1	151.8	153.3	-57.5	171.9	0	0	0	116.3
355	C	30.6	Very low	30.7	Very low	113 Å²	113	130.1 Å²	130.1	76%	0.764	71%	0.714	S	S	*	*			cis	-142.2	168.9	3.6	-93.3	0	0	0	0	107.4
356	S	34.5	Very low	30.3	Very low	84 Å²	84	130 Å²	130	59%	0.587	73%	0.725	S	S	*	*			cis	-172.9	153.9	-21.5	-89.2	0	0	0	0	108.7
357	T	32.6	Very low	30.6	Very low	126 Å²	126	132.1 Å²	132.1	77%	0.773	74%	0.744	S	S	*	*			trans	43.4	121.8	153.2	56.5	0	0	0	0	119
358	D	32.1	Very low	30.4	Very low	141 Å²	141	130 Å²	130	75%	0.754	75%	0.746	S	S	*	*			cis	-164.7	-170.8	11	-136.8	-127.6	0	0	0	108.6
359	S	34	Very low	30.6	Very low	93 Å²	93	127.4 Å²	127.4	65%	0.65	75%	0.748	S	S	*	*			cis	-155.5	-172.3	13.5	-154.8	0	0	0	0	114.6
360	S	30	Very low	30.7	Very low	78 Å²	78	129.7 Å²	129.7	55%	0.545	75%	0.753	S	S	.	*			trans	-59.7	164.2	170.7	61.5	0	0	0	0	115.9
361	Y	31.2	Very low	31	Very low	203 Å²	203	126.7 Å²	126.7	80%	0.796	75%	0.751	S	S	*	*			cis	-147	157.9	28.4	-107	-75.9	0	0	0	114.9
362	L	32.7	Very low	31.3	Very low	143 Å²	143	128.4 Å²	128.4	75%	0.749	75%	0.749	S	S	*	*			trans	53.6	101	160.7	-70.7	146.3	0	0	0	116.6
363	S	28.3	Very low	31.4	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	75%	0.751	S	S	*	*				61.5	105.4	53.6	97.9	0	0	0	0	113.4
364	S	32.7	Very low	31.7	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	76%	0.762	S	S	*	*				172.4	161.9	89.2	44.8	0	0	0	0	108.8
365	Q	31.4	Very low	31.9	Very low	186 Å²	186	136.2 Å²	136.2	87%	0.869	76%	0.756	S	S	*	*			cis	-156.7	-169.1	-8.3	-118.6	176.6	15.5	0	0	109.5
366	C	24.9	Very low	32.2	Very low	116 Å²	116	136.2 Å²	136.2	78%	0.784	75%	0.752	S	S	*	*			trans	-132.2	167.2	170.7	-63	0	0	0	0	109.9
367	P	35.9	Very low	32.3	Very low	134 Å²	134	139 Å²	139	87%	0.87	77%	0.766	S	S	*	*				-148.1	170.7	96.4	39.3	-23.4	0	0	0	116.1
368	S	29.4	Very low	32.4	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	76%	0.759	S	S	*	*			trans	-108.6	157.9	178.2	55.4	0	0	0	0	112.9
369	I	33.5	Very low	32.6	Very low	177 Å²	177	138.1 Å²	138.1	91%	0.908	77%	0.766	S	S	*	*			trans	-136.7	144.9	163.9	-63.7	-174	0	0	0	109.8
370	F	28.6	Very low	32.5	Very low	181 Å²	181	139.2 Å²	139.2	79%	0.794	77%	0.769	S	S	*	*			trans	-148.4	108.6	-159.6	-160	-62.5	0	0	0	112.3
371	A	34.3	Very low	32.7	Very low	94 Å²	94	142.3 Å²	142.3	78%	0.777	79%	0.785	S	S	*	*			trans	-175	160.3	172.2	0	0	0	0	0	113.5
372	K	32.8	Very low	32.7	Very low	155 Å²	155	137.4 Å²	137.4	67%	0.674	78%	0.776	S	S	*	*			cis	-178.6	132.7	-43	-114.4	167.3	-177.7	163.1	0	110.9
373	R	30.8	Very low	32.8	Very low	215 Å²	215	139.7 Å²	139.7	81%	0.811	78%	0.78	S	S	*	*			trans	71	163	154.9	-64.5	168.1	170.9	175.6	-6.2	116.4
374	K	35	Very low	33.1	Very low	194 Å²	194	141.6 Å²	141.6	84%	0.843	78%	0.783	S	S	*	*			cis	-154.7	170.8	13.6	-135.3	162.1	178.1	-165.4	0	111.5
375	P	35	Very low	33.1	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	78%	0.78	S	S	*	*			trans	-129.8	166.2	-159.1	44.1	-31.4	0	0	0	120.4
376	V	35.9	Very low	33.2	Very low	113 Å²	113	140.7 Å²	140.7	69%	0.685	78%	0.775	S	S	*	*			trans	47.7	142.4	137.7	179.1	0	0	0	0	123.7
377	T	37.7	Very low	33.8	Very low	142 Å²	142	141.3 Å²	141.3	87%	0.871	77%	0.771	S	S	*	*			trans	-148.8	161.3	157.7	-57.7	0	0	0	0	110.9
378	T	34.2	Very low	33.6	Very low	102 Å²	102	141.9 Å²	141.9	63%	0.626	77%	0.767	S	S	*	*			trans	-138	158.1	-160	-48.2	0	0	0	0	114.4
379	T	36	Very low	33.8	Very low	147 Å²	147	141.9 Å²	141.9	90%	0.902	77%	0.767	S	S	*	*			trans	-158.3	161.4	158.1	-0.3	0	0	0	0	113.1
380	T	31.3	Very low	33.8	Very low	117 Å²	117	139.2 Å²	139.2	72%	0.718	76%	0.759	S	S	*	*			trans	-151.4	151.6	-161.2	-41.4	0	0	0	0	113.8
381	T	35	Very low	34	Very low	143 Å²	143	136.1 Å²	136.1	88%	0.877	75%	0.754	S	S	*	*			trans	-164.7	171.5	159.7	9.3	0	0	0	0	112.6
382	T	31.3	Very low	33.9	Very low	100 Å²	100	139.8 Å²	139.8	61%	0.613	76%	0.755	S	S	*	*			trans	-151.8	162.2	-143.8	-27.5	0	0	0	0	117.3
383	F	34.4	Very low	33.8	Very low	190 Å²	190	137.9 Å²	137.9	83%	0.833	75%	0.752	S	S	*	*			trans	75.6	160.5	166.3	-53.8	-67.4	0	0	0	117.7
384	N	34.5	Very low	34	Very low	143 Å²	143	137 Å²	137	77%	0.765	76%	0.757	S	S	*	*			cis	-149.4	-179	10.7	-156.3	-3.1	0	0	0	113.5
385	N	32.7	Very low	33.9	Very low	132 Å²	132	137 Å²	137	71%	0.706	76%	0.757	S	S	*	*			trans	-92.5	157.5	-171.3	-59.9	-41.3	0	0	0	117.1
386	N	34.7	Very low	33.9	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	76%	0.764	S	S	*	*				167.3	129.7	116.1	-83.9	-21.7	0	0	0	117.6
387	N	36	Very low	33.5	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	77%	0.768	S	S	*	*			trans	56.1	117.5	137.7	-57.4	-12.3	0	0	0	126.3
388	N	33.2	Very low	33.3	Very low	146 Å²	146	144.2 Å²	144.2	78%	0.781	77%	0.768	S	S	*	*				81.7	141.6	128.6	-64.5	-6.1	0	0	0	125
389	S	33.9	Very low	33.3	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	77%	0.766	S	S	*	*			trans	71.2	150.5	153.8	-63.4	0	0	0	0	120.3
390	T	32.7	Very low	32.9	Very low	120 Å²	120	144.1 Å²	144.1	74%	0.736	76%	0.758	S	S	*	*			cis	-173.2	128	-45.6	24.3	0	0	0	0	110.3
391	V	32.5	Very low	33.3	Very low	116 Å²	116	145.2 Å²	145.2	70%	0.703	76%	0.758	S	S	*	*			trans	52.2	112.3	147.8	-164.5	0	0	0	0	120.6
392	H	33.5	Very low	33.1	Very low	171 Å²	171	145.6 Å²	145.6	79%	0.792	76%	0.755	S	S	*	*				-173.1	171.4	106.6	-111.2	-60.2	0	0	0	114.5
393	D	30.5	Very low	33.2	Very low	115 Å²	115	151.4 Å²	151.4	62%	0.615	77%	0.767	S	S	*	*			trans	-70.8	151.7	-165.8	-56.1	-103.2	0	0	0	116.8
394	H	34.9	Very low	33.1	Very low	197 Å²	197	150 Å²	150	91%	0.912	76%	0.763	S	S	*	*				-149.1	138.8	121.8	-100	-64.7	0	0	0	110.8
395	K	32.2	Very low	32.8	Very low	194 Å²	194	149 Å²	149	84%	0.843	76%	0.757	S	S	*	*			trans	-133.8	95	-168.8	-172.7	176.1	-173.2	171.8	0	111.3
396	T	34.8	Very low	32.7	Very low	140 Å²	140	150.9 Å²	150.9	86%	0.859	76%	0.761	S	S	*	*			trans	-131.2	124.1	174.2	46.3	0	0	0	0	113.2
397	N	27.6	Very low	32.3	Very low	142 Å²	142	149 Å²	149	76%	0.759	76%	0.759	S	S	*	*			trans	-44.9	138.2	177.6	-174.5	25	0	0	0	116.3
398	R	33.6	Very low	32.4	Very low	234 Å²	234	148.9 Å²	148.9	88%	0.883	77%	0.766	S	S	*	*			trans	-164.9	106.1	150.9	-110.9	169.8	-166.1	168.4	5.4	113.3
399	N	33.6	Very low	32.3	Very low	107 Å²	107	147.8 Å²	147.8	57%	0.572	76%	0.764	S	S	*	*				37.5	126.6	127.9	-67.3	71.1	0	0	0	121.8
400	D	29.1	Very low	32.2	Very low	139 Å²	139	147 Å²	147	74%	0.743	76%	0.759	S	S	*	*				58.1	100.1	127.1	-43.1	-29	0	0	0	119.9
401	I	38	Very low	32.1	Very low	141 Å²	141	150.4 Å²	150.4	72%	0.723	77%	0.769	S	S	*	*			trans	-131.2	117.1	150.6	-58.5	-178.6	0	0	0	108.8	Y403	I401-Y403 HydrophobicContact CG2-CD2 4.17Å; I401-Y403 HydrophobicContact CG2-CE2 3.57Å
402	N	30.7	Very low	31.9	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	77%	0.766	S	S	*	*			trans	-69.8	141.2	170.2	-83.2	-42.1	0	0	0	111
403	Y	33.5	Very low	31.9	Very low	221 Å²	221	147.8 Å²	147.8	87%	0.867	76%	0.764	S	S	*	*			trans	-129.9	121.9	150.4	-75.9	-74.5	0	0	0	109.1	I401	I401-Y403 HydrophobicContact CG2-CD2 4.17Å; I401-Y403 HydrophobicContact CG2-CE2 3.57Å
404	H	33	Very low	31.8	Very low	160 Å²	160	148.7 Å²	148.7	74%	0.741	77%	0.768	S	S	*	*			trans	-143.8	138.7	-170.2	-168.3	35.1	0	0	0	107.7
405	L	28.4	Very low	31.7	Very low	123 Å²	123	146 Å²	146	64%	0.644	76%	0.76	S	S	*	*			trans	64	152.2	-169.2	-72.9	60.9	0	0	0	112.7
406	H	31.3	Very low	31.7	Very low	171 Å²	171	144.9 Å²	144.9	79%	0.792	76%	0.755	S	S	*	*			cis	-133.5	146.6	22.1	-65.4	65.5	0	0	0	113
407	S	26	Very low	31.3	Very low	102 Å²	102	145.4 Å²	145.4	71%	0.713	75%	0.753	S	S	*	*			trans	-92.6	145.3	157.4	50	0	0	0	0	110.4
408	P	36.9	Very low	31.6	Very low	129 Å²	129	146.7 Å²	146.7	84%	0.838	75%	0.754	S	S	*	*			trans	-114.5	132.1	147.2	33.5	-25.1	0	0	0	110.4
409	T	32	Very low	31.2	Very low	123 Å²	123	141 Å²	141	76%	0.755	75%	0.748	S	S	*	*			trans	-96.3	142.2	-176.3	-46.3	0	0	0	0	110.9
410	S	30.6	Very low	30.9	Very low	91 Å²	91	142.4 Å²	142.4	64%	0.636	76%	0.755	S	S	*	*			trans	43.6	119	158.1	59.8	0	0	0	0	120.1
411	M	31.7	Very low	30.8	Very low	192 Å²	192	140.5 Å²	140.5	95%	0.946	75%	0.749	S	S	*	*				-118.5	126.6	119.9	-77.5	-139.5	77	0	0	109
412	S	29	Very low	30.2	Very low	92 Å²	92	139.9 Å²	139.9	64%	0.643	75%	0.752	S	S	*	*			trans	-88.8	137.4	179.3	-61.2	0	0	0	0	111.1
413	N	32.5	Very low	30.1	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	75%	0.754	S	S	*	*			trans	-170.1	115.7	134.1	-94.7	-40.5	0	0	0	108.5
414	N	28.7	Very low	29.8	Very low	133 Å²	133	137 Å²	137	71%	0.711	75%	0.751	S	S	*	*				58.3	89.3	90.1	-78	-44.5	0	0	0	113.5
415	L	32.1	Very low	29.6	Very low	141 Å²	141	135.8 Å²	135.8	74%	0.738	75%	0.75	S	S	*	*				-171.7	135.2	105.2	-119.8	63.8	0	0	0	113.8
416	K	32.4	Very low	29.6	Very low	171 Å²	171	135.8 Å²	135.8	74%	0.743	75%	0.751	S	S	*	*			trans	45.4	107.3	143.3	-66.4	169.2	-174.1	-179.7	0	120.7
417	N	27.1	Very low	29.5	Very low	151 Å²	151	134.2 Å²	134.2	81%	0.807	75%	0.747	S	S	*	*				33.1	103.9	107.5	-53.3	9.6	0	0	0	118.4
418	H	33.4	Very low	29.7	Very low	168 Å²	168	134.1 Å²	134.1	78%	0.778	75%	0.746	S	S	*	*			trans	-174.4	122.2	133.4	-99.7	-75.7	0	0	0	104.8
419	C	24.4	Very low	29.3	Very low	114 Å²	114	132.8 Å²	132.8	77%	0.77	74%	0.74	S	S	*	*			cis	55.5	93.8	30.7	-164.4	0	0	0	0	113
420	L	28.3	Very low	29.1	Very low	137 Å²	137	137.7 Å²	137.7	72%	0.717	75%	0.746	S	S	*	*			trans	-175.5	97.9	153.4	-92.9	154.6	0	0	0	104.5
421	T	26.6	Very low	29	Very low	99 Å²	99	140 Å²	140	61%	0.607	75%	0.752	S	S	*	*				65.6	116.8	95.7	60.6	0	0	0	0	115
422	T	25.1	Very low	29.2	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	72%	0.715	S	S	*	*			trans	16.6	122.3	135.6	53	0	0	0	0	118.1
423	T	29.5	Very low	29.3	Very low	138 Å²	138	133 Å²	133	85%	0.847	71%	0.711	S	S	*	*			trans	-145.1	113.3	132.7	-16.4	0	0	0	0	108.7
424	E	26.2	Very low	29.5	Very low	174 Å²	174	132.5 Å²	132.5	81%	0.813	71%	0.708	S	S	*	*			trans	-62.7	142.8	154.9	-61.5	165	134.3	0	0	107.3
425	N	28.8	Very low	29.7	Very low	134 Å²	134	132.3 Å²	132.3	72%	0.717	71%	0.707	S	S	*	*				177.1	130.8	126.8	-97.5	-62.9	0	0	0	112.7
426	N	28.9	Very low	29.9	Very low	122 Å²	122	133 Å²	133	65%	0.652	71%	0.711	S	S	*	*			trans	67.3	116.1	135.9	-68.2	-22.1	0	0	0	123.1
427	I	29.7	Very low	30	Very low	139 Å²	139	132.9 Å²	132.9	71%	0.713	71%	0.711	S	S	*	*				79.4	104.7	117.8	-65.2	170.7	0	0	0	117.7
428	S	29.3	Very low	30.5	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	71%	0.713	S	S	*	*			trans	64.5	102.8	133.8	-55.9	0	0	0	0	120.3
429	S	29	Very low	30.6	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	71%	0.71	S	S	*	*				33.2	118	123.3	63.9	0	0	0	0	119.2
430	Y	28.7	Very low	30.9	Very low	226 Å²	226	130.3 Å²	130.3	89%	0.886	70%	0.701	S	S	*	*				-145.4	149	105.8	-119.3	-86.8	0	0	0	109.9
431	N	28.6	Very low	31.3	Very low	140 Å²	140	131.7 Å²	131.7	75%	0.749	71%	0.709	S	S	*	*			trans	-86.8	144.5	162.2	-76.1	-43.3	0	0	0	107.7
432	D	34.3	Very low	31.5	Very low	33 Å²	33	133.6 Å²	133.6	18%	0.176	72%	0.715	C	S	.	*				-147	172.7	117.9	-133.2	-38.9	0	0	0	115	H344 H345 D346	H344-D432 VanDerWaalsContact CA-OD2 3.23Å; H344-D432 WeakPolarHBondContact CA-OD2 3.34Å; H344-D432 WeakPolarHBondContact CB-OD2 3.41Å; H344-D432 IonicContact CD2-OD2 3.01Å; H344-D432 IonicContact CE1-OD1 2.76Å; H344-D432 PolarHBondContact CE1-OD1 3.2Å; H344-D432 IonicContact CE1-OD2 3.92Å; H344-D432 IonicContact CG-OD1 3.89Å; H344-D432 IonicContact CG-OD2 3.9Å; H344-D432 IonicContact ND1-OD1 2.65Å; H344-D432 PolarHBondContact ND1-OD1 2.86Å; H344-D432 IonicContact ND1-OD2 3.01Å; H344-D432 PolarHBondContact ND1-OD2 2.78Å; H344-D432 IonicContact NE2-OD1 2.65Å; H345-D432 VanDerWaalsContact CA-OD2 3.31Å; H345-D432 WeakPolarHBondContact CA-OD2 3.46Å; H345-D432 IonicContact CE1-OD1 2.76Å; H345-D432 IonicContact CE1-OD2 2.81Å; H345-D432 IonicContact CG-OD2 3.95Å; H345-D432 PolarHBondContact N-OD2 3.46Å; H345-D432 IonicContact ND1-OD1 2.83Å; H345-D432 IonicContact ND1-OD2 3.51Å; H345-D432 PolarHBondContact ND1-OD2 2.88Å; D346-D432 HydrophobicContact CB-CB 3.8Å; D346-D432 PolarHBondContact OD2-N 3.38Å
433	N	32.3	Very low	32.4	Very low	103 Å²	103	134.7 Å²	134.7	55%	0.551	71%	0.714	S	S	*	*			trans	-106.2	145.6	-169.7	-51.9	-104	0	0	0	108.3	H345	H345-N433 PolarHBondContact CE1-O 2.84Å; H345-N433 PolarHBondContact NE2-O 3.43Å
434	N	35.8	Very low	32.6	Very low	130 Å²	130	136.7 Å²	136.7	70%	0.695	71%	0.711	S	S	*	*				-149.7	156.4	121.9	-120.7	-54.6	0	0	0	113.5	H345	H345-N434 PolarHBondContact NE2-ND2 2.83Å; H345-N434 VanDerWaalsContact NE2-ND2 3.11Å
435	N	32.9	Very low	33.1	Very low	129 Å²	129	134.5 Å²	134.5	69%	0.69	71%	0.71	S	S	*	*			trans	-73.6	140.3	-173.6	-61.6	-96.5	0	0	0	110.4
436	D	35.5	Very low	33.2	Very low	154 Å²	154	132.6 Å²	132.6	82%	0.824	70%	0.699	S	S	*	*				-148.9	160	106.7	-135.3	-28.4	0	0	0	113
437	K	35.1	Very low	33	Very low	170 Å²	170	133.3 Å²	133.3	74%	0.739	70%	0.703	S	S	*	*			trans	-91.6	135	-165.9	-62.4	161	-175.8	163.2	0	111.8
438	H	37.3	Very low	33.1	Very low	182 Å²	182	135.3 Å²	135.3	84%	0.843	70%	0.703	S	S	*	*			trans	-144.6	142.8	141.8	-115.7	-79.9	0	0	0	112.5
439	S	36	Very low	33.1	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	70%	0.701	S	S	*	*			trans	-80.8	121.4	-163.3	-108.6	0	0	0	0	114.7
440	T	31.9	Very low	33.6	Very low	93 Å²	93	137.8 Å²	137.8	57%	0.571	70%	0.696	S	S	*	*				42.6	104.2	127.1	63.7	0	0	0	0	118.9
441	N	35	Very low	34.3	Very low	166 Å²	166	133 Å²	133	89%	0.888	69%	0.686	S	S	*	*			trans	-127	64.5	134.8	-104.9	-24.2	0	0	0	107.8	I443	N441-I443 VanDerWaalsContact C-N 3.35Å; N441-I443 PolarHBondContact O-N 2.89Å
442	N	31.8	Very low	35.3	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	68%	0.684	S	S	*	*			trans	-74.2	87.1	-174.6	-73.2	13.9	0	0	0	110.6	K444	N442-K444 PolarHBondContact O-N 3.32Å
443	I	43.8	Very low	36.5	Very low	152 Å²	152	134 Å²	134	78%	0.779	69%	0.691	S	S	*	*			trans	-50.1	121.9	148.5	-64.6	175.8	0	0	0	106.1	N441 V445	N441-I443 VanDerWaalsContact C-N 3.35Å; N441-I443 PolarHBondContact O-N 2.89Å; I443-V445 PolarHBondContact O-N 3.4Å
444	K	33.3	Very low	38.6	Very low	180 Å²	180	132.2 Å²	132.2	78%	0.783	68%	0.68	S	S	*	*			trans	-69.3	86.4	174.3	-74.4	-174.3	177.9	-179.9	0	109.1	N442 N446	N442-K444 PolarHBondContact O-N 3.32Å; K444-N446 PolarHBondContact O-N 2.87Å
445	V	36.7	Very low	41.2	Very low	128 Å²	128	126.8 Å²	126.8	78%	0.776	65%	0.651	S	S	*	*			trans	-60.2	94.1	148.7	-178.5	0	0	0	0	104.9	I443 N447	I443-V445 PolarHBondContact O-N 3.4Å; V445-N447 PolarHBondContact O-N 3.17Å
446	N	30.8	Very low	44.1	Very low	94 Å²	94	122.8 Å²	122.8	50%	0.503	63%	0.63	S	S	.	*			trans	-66.1	92	175.5	-87.2	-0.9	0	0	0	107.3	K444 Y448	K444-N446 PolarHBondContact O-N 2.87Å; N446-Y448 HydrophobicContact CB-CD2 3.72Å; N446-Y448 HydrophobicContact CB-CE2 3.56Å; N446-Y448 WeakPolarHBondContact O-CD2 3.5Å; N446-Y448 PolarHBondContact O-N 3.21Å
447	N	25.5	Very low	46.9	Very low	138 Å²	138	115.4 Å²	115.4	74%	0.738	59%	0.59	S	S	*	*			trans	-66.5	83.9	163.5	-166.3	18.5	0	0	0	107.1	V445 N449	V445-N447 PolarHBondContact O-N 3.17Å; N447-N449 VanDerWaalsContact C-N 3.33Å; N447-N449 PolarHBondContact O-N 3.32Å
448	Y	32.2	Very low	49.7	Very low	181 Å²	181	108.8 Å²	108.8	71%	0.71	56%	0.563	S	S	*	*			trans	-66.3	94.6	175.4	-84.6	-85.8	0	0	0	107.7	N446 H450	N446-Y448 HydrophobicContact CB-CD2 3.72Å; N446-Y448 HydrophobicContact CB-CE2 3.56Å; N446-Y448 WeakPolarHBondContact O-CD2 3.5Å; N446-Y448 PolarHBondContact O-N 3.21Å; Y448-H450 PolarHBondContact O-N 3.03Å
449	N	28.4	Very low	52.4	Low	122 Å²	122	100.1 Å²	100.1	65%	0.652	52%	0.523	S	S	*	.			trans	-51.2	108.2	165	-79.4	-11.8	0	0	0	107.5	N447 N451	N447-N449 VanDerWaalsContact C-N 3.33Å; N447-N449 PolarHBondContact O-N 3.32Å; N449-N451 PolarHBondContact O-N 3.16Å
450	H	40.2	Very low	55.2	Low	131 Å²	131	97.2 Å²	97.2	61%	0.606	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	20.4	-161.4	-157.4	-56.7	0	0	0	113.2	Y448 N452	Y448-H450 PolarHBondContact O-N 3.03Å; H450-N452 PolarHBondContact O-N 3Å
451	N	42.5	Very low	58	Low	124 Å²	124	99.2 Å²	99.2	66%	0.663	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.8	-166.9	-57.1	15.5	0	0	0	113.2	N449	N449-N451 PolarHBondContact O-N 3.16Å
452	N	49.6	Very low	60.7	Low	132 Å²	132	91.3 Å²	91.3	71%	0.706	46%	0.455	S	S	*	.	S	Bend	trans	-97.9	-21.9	-174.5	-72.3	-9.3	0	0	0	114.2	H450 T455	H450-N452 PolarHBondContact O-N 3Å; N452-T455 PolarHBondContact O-OG1 3.48Å
453	D	60.7	Low	63.5	Low	62 Å²	62	85 Å²	85	33%	0.332	42%	0.421	S	S	.	.	S	Bend	trans	-89.6	-18.8	-172.3	-76.6	-38.8	0	0	0	114.2	T455 N456	D453-T455 PolarHBondContact O-N 3.46Å; D453-T455 VanDerWaalsContact O-N 3.07Å; D453-N456 PolarHBondContact O-N 3.21Å; D453-N456 PolarHBondContact O-ND2 3.25Å
454	E	76	Confident	65.4	Low	66 Å²	66	80.5 Å²	80.5	31%	0.308	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.4	-178.6	-58.4	-167.6	142.4	0	0	114.3	N456 S506 A509 L530	E454-N456 VanDerWaalsContact C-N 3.25Å; E454-N456 PolarHBondContact O-N 2.73Å; E454-S506 VanDerWaalsContact CB-OG 3.25Å; E454-S506 WeakPolarHBondContact CB-OG 3.4Å; E454-S506 PolarHBondContact OE2-OG 3.31Å; E454-A509 VanDerWaalsContact O-CB 3.25Å; E454-A509 WeakPolarHBondContact O-CB 3.43Å; E454-L530 HydrophobicContact CB-CD2 4.37Å; E454-L530 WeakPolarHBondContact O-CD2 3.49Å
455	T	90.7	Very high	68.1	Low	16 Å²	16	81.1 Å²	81.1	10%	0.098	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-20.4	175.1	54.1	0	0	0	0	113.5	N452 D453 K502 Y503	N452-T455 PolarHBondContact O-OG1 3.48Å; D453-T455 PolarHBondContact O-N 3.46Å; D453-T455 VanDerWaalsContact O-N 3.07Å; T455-K502 WeakPolarHBondContact O-CA 3.35Å; T455-K502 WeakPolarHBondContact OG1-CE 3.43Å; T455-Y503 WeakPolarHBondContact CB-O 3.36Å; T455-Y503 PolarHBondContact O-N 3.21Å
456	N	93.6	Very high	70.6	Confident	45 Å²	45	76 Å²	76	24%	0.241	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.1	-175.8	-56.4	-77.7	0	0	0	110.7	D453 E454 K502 L530 A531	D453-N456 PolarHBondContact O-N 3.21Å; D453-N456 PolarHBondContact O-ND2 3.25Å; E454-N456 VanDerWaalsContact C-N 3.25Å; E454-N456 PolarHBondContact O-N 2.73Å; N456-K502 WeakPolarHBondContact OD1-CD 3.43Å; N456-K502 WeakPolarHBondContact OD1-CG 3.36Å; N456-L530 CarbonylContact O-C 3.59Å; N456-L530 WeakPolarHBondContact O-CA 3.11Å; N456-A531 HydrophobicContact CB-CB 3.86Å; N456-A531 PolarHBondContact O-N 3.33Å
457	L	94.3	Very high	73.5	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.5	172.5	-57.7	-169.7	0	0	0	111.7	I459 F475 F500 V501 Y503 A509 A512 I513 V528 S529 L530	L457-I459 HydrophobicContact CB-CD1 4.14Å; L457-F475 HydrophobicContact CD1-CE1 4.42Å; L457-F500 VanDerWaalsContact O-CA 3.25Å; L457-F500 WeakPolarHBondContact O-CA 3.43Å; L457-V501 WeakPolarHBondContact CB-O 3.44Å; L457-V501 PolarHBondContact N-O 3.09Å; L457-V501 PolarHBondContact O-N 3.02Å; L457-Y503 HydrophobicContact CD1-CD2 4.18Å; L457-Y503 HydrophobicContact CD1-CE2 3.68Å; L457-Y503 HydrophobicContact CG-CD2 4.36Å; L457-Y503 HydrophobicContact CG-CE2 4.3Å; L457-A509 HydrophobicContact CD1-CB 4.47Å; L457-A509 HydrophobicContact CD2-CB 3.92Å; L457-A509 HydrophobicContact CG-CB 4.15Å; L457-A512 HydrophobicContact CD1-CB 3.79Å; L457-I513 HydrophobicContact CD1-CG1 4.26Å; L457-I513 HydrophobicContact CD2-CD1 3.63Å; L457-I513 HydrophobicContact CD2-CG1 3.74Å; L457-V528 HydrophobicContact CB-CG1 4.49Å; L457-V528 HydrophobicContact CD1-CG1 3.72Å; L457-S529 CarbonylContact C-O 2.93Å; L457-S529 WeakPolarHBondContact CA-O 3.3Å; L457-L530 HydrophobicContact CD2-CD2 3.86Å
458	I	94	Very high	76.7	Confident	31 Å²	31	70.8 Å²	70.8	16%	0.159	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.3	162.7	-172.1	176.7	0	0	0	109.1	Y498 F500 S529 A531	I458-Y498 HydrophobicContact CD1-CD2 4.27Å; I458-F500 HydrophobicContact CB-CD1 3.94Å; I458-F500 HydrophobicContact CB-CE1 3.82Å; I458-F500 HydrophobicContact CD1-CE1 3.75Å; I458-F500 HydrophobicContact CD1-CZ 3.95Å; I458-F500 HydrophobicContact CG1-CD1 4.09Å; I458-F500 HydrophobicContact CG1-CE1 3.74Å; I458-F500 HydrophobicContact CG1-CZ 4.23Å; I458-S529 WeakPolarHBondContact CG2-OG 3.3Å; I458-S529 PolarHBondContact N-O 2.9Å; I458-S529 PolarHBondContact O-N 2.66Å; I458-S529 VanDerWaalsContact O-N 3.11Å; I458-A531 HydrophobicContact CB-CB 4.13Å; I458-A531 HydrophobicContact CG2-CB 4.45Å
459	I	94.3	Very high	79.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.3	179.7	-53.8	72.2	0	0	0	106.9	L457 L462 F475 Y498 A499 V501 I526 V528	L457-I459 HydrophobicContact CB-CD1 4.14Å; I459-L462 HydrophobicContact CG2-CD1 4.45Å; I459-L462 HydrophobicContact CG2-CD2 3.61Å; I459-L462 HydrophobicContact CG2-CG 4.04Å; I459-F475 HydrophobicContact CB-CZ 4.31Å; I459-F475 HydrophobicContact CD1-CE1 4.21Å; I459-F475 HydrophobicContact CD1-CZ 4.3Å; I459-F475 HydrophobicContact CG1-CD1 4.41Å; I459-F475 HydrophobicContact CG1-CE1 3.65Å; I459-F475 HydrophobicContact CG1-CE2 3.81Å; I459-F475 HydrophobicContact CG1-CZ 3.32Å; I459-F475 HydrophobicContact CG2-CE2 4.18Å; I459-F475 HydrophobicContact CG2-CZ 3.95Å; I459-Y498 CarbonylContact O-C 3.57Å; I459-Y498 WeakPolarHBondContact O-CA 3.26Å; I459-Y498 VanDerWaalsContact O-CB 3.25Å; I459-Y498 WeakPolarHBondContact O-CB 3.38Å; I459-A499 PolarHBondContact N-O 3.09Å; I459-A499 PolarHBondContact O-N 2.76Å; I459-V501 HydrophobicContact CD1-CB 3.89Å; I459-V501 HydrophobicContact CD1-CG2 3.65Å; I459-I526 HydrophobicContact CG2-CB 4.25Å; I459-I526 HydrophobicContact CG2-CD1 4.31Å; I459-V528 HydrophobicContact CG1-CG2 4.47Å; I459-V528 HydrophobicContact CG2-CG2 4.29Å
460	N	92.9	Very high	82.7	Confident	43 Å²	43	66.5 Å²	66.5	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	160	-177.4	-59.8	-90.3	0	0	0	110.9	L462 I526 K527	N460-L462 VanDerWaalsContact C-N 3.35Å; N460-I526 WeakPolarHBondContact O-CA 3.11Å; N460-K527 HydrophobicContact CB-CB 4.4Å; N460-K527 PolarHBondContact N-O 2.87Å; N460-K527 PolarHBondContact O-N 3.48Å
461	Y	91.4	Very high	85.2	Confident	135 Å²	135	60.3 Å²	60.3	53%	0.529	29%	0.294	S	S	.	.	S	Bend	trans	64.1	30.6	179.9	-46	-63.4	0	0	0	115	G497 K524 T525 K527	Y461-G497 PolarHBondContact N-O 3.24Å; Y461-K524 VanDerWaalsContact O-CB 3.25Å; Y461-K524 WeakPolarHBondContact O-CB 3.18Å; Y461-K524 WeakPolarHBondContact O-CD 3.32Å; Y461-T525 WeakPolarHBondContact CB-O 3.36Å; Y461-K527 HydrophobicContact CD2-CB 3.89Å; Y461-K527 HydrophobicContact CE2-CB 3.95Å
462	L	92.6	Very high	87.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.282	C	S	.	.			trans	-61.9	146.6	170.3	-64.3	176.9	0	0	0	111.6	I459 N460 M466 V471 L486 G497 A499 K524 I526	I459-L462 HydrophobicContact CG2-CD1 4.45Å; I459-L462 HydrophobicContact CG2-CD2 3.61Å; I459-L462 HydrophobicContact CG2-CG 4.04Å; N460-L462 VanDerWaalsContact C-N 3.35Å; L462-M466 HydrophobicContact CD2-SD 3.9Å; L462-V471 HydrophobicContact CD1-CG2 3.8Å; L462-V471 HydrophobicContact CD2-CG2 4.31Å; L462-L486 HydrophobicContact CD1-CD1 3.8Å; L462-G497 PolarHBondContact N-O 2.94Å; L462-A499 HydrophobicContact CD1-CB 3.58Å; L462-K524 PolarHBondContact O-NZ 3.35Å; L462-I526 HydrophobicContact CD2-CG2 4.02Å
463	P	89.2	Confident	89.8	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.026	28%	0.275	C	S	.	.			trans	-58.9	142.9	167.8	-22.8	33.7	0	0	0	111.6	Y465 M466 L521 Q522	P463-Y465 VanDerWaalsContact C-N 3.26Å; P463-Y465 PolarHBondContact O-N 2.9Å; P463-M466 HydrophobicContact CB-CB 4.32Å; P463-M466 WeakPolarHBondContact O-CB 3.45Å; P463-M466 PolarHBondContact O-N 3.39Å; P463-M466 VanDerWaalsContact O-N 3.15Å; P463-L521 HydrophobicContact CG-CB 4Å; P463-Q522 HydrophobicContact CG-CG 4.44Å
464	P	85.6	Confident	91.3	Very high	58 Å²	58	56.2 Å²	56.2	38%	0.377	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32	-175.5	27.5	-34.3	0	0	0	112.5	M466 S495	P464-M466 VanDerWaalsContact C-N 3.3Å; P464-M466 PolarHBondContact O-N 3.36Å; P464-S495 WeakPolarHBondContact O-CB 3.43Å; P464-S495 PolarHBondContact O-OG 3.29Å
465	Y	88.3	Confident	92.2	Very high	194 Å²	194	53 Å²	53	76%	0.761	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.9	178.6	-52.9	-62	0	0	0	113.9	P463 S467	P463-Y465 VanDerWaalsContact C-N 3.26Å; P463-Y465 PolarHBondContact O-N 2.9Å; Y465-S467 PolarHBondContact O-N 3.36Å
466	M	89.3	Confident	92.3	Very high	20 Å²	20	55.6 Å²	55.6	10%	0.099	27%	0.271	C	S	.	.			trans	-66.2	131.8	-176.5	-161.4	173.2	-174.2	0	0	110.5	L462 P463 P464 E470 V471 L474 L486 L521	L462-M466 HydrophobicContact CD2-SD 3.9Å; P463-M466 HydrophobicContact CB-CB 4.32Å; P463-M466 WeakPolarHBondContact O-CB 3.45Å; P463-M466 PolarHBondContact O-N 3.39Å; P463-M466 VanDerWaalsContact O-N 3.15Å; P464-M466 VanDerWaalsContact C-N 3.3Å; P464-M466 PolarHBondContact O-N 3.36Å; M466-E470 HydrophobicContact CE-CB 3.88Å; M466-E470 HydrophobicContact CG-CB 3.96Å; M466-V471 HydrophobicContact CE-CG2 3.89Å; M466-V471 HydrophobicContact CG-CG2 4.05Å; M466-V471 HydrophobicContact SD-CG2 3.83Å; M466-L474 HydrophobicContact CE-CD2 4.16Å; M466-L486 WeakPolarHBondContact O-CD2 3.32Å; M466-L521 HydrophobicContact CE-CD1 3.84Å; M466-L521 HydrophobicContact SD-CD1 3.83Å
467	S	92.5	Very high	92.2	Very high	37 Å²	37	57.6 Å²	57.6	26%	0.259	29%	0.286	S	S	.	.			trans	-84.3	161.8	178.1	68.8	0	0	0	0	111.8	Y465 E469 E470 V471	Y465-S467 PolarHBondContact O-N 3.36Å; S467-E469 PolarHBondContact O-N 2.86Å; S467-E470 VanDerWaalsContact CB-OE2 3.22Å; S467-E470 WeakPolarHBondContact CB-OE2 3.29Å; S467-E470 PolarHBondContact N-OE2 3.02Å; S467-E470 PolarHBondContact O-N 3.41Å; S467-E470 VanDerWaalsContact OG-CG 3.32Å; S467-E470 WeakPolarHBondContact OG-CG 3.32Å; S467-E470 PolarHBondContact OG-N 3.25Å; S467-E470 VanDerWaalsContact OG-N 3.15Å; S467-E470 PolarHBondContact OG-OE2 2.81Å; S467-V471 WeakPolarHBondContact O-CG2 3.45Å; S467-V471 PolarHBondContact O-N 3.44Å
468	Q	92.9	Very high	92.1	Very high	85 Å²	85	58.2 Å²	58.2	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-29.9	174.5	-172.4	171.2	-70.8	0	0	112	R472 C484 L486	Q468-R472 WeakPolarHBondContact O-CB 3.2Å; Q468-R472 PolarHBondContact O-N 2.67Å; Q468-C484 PolarHBondContact NE2-O 2.96Å; Q468-L486 HydrophobicContact CB-CB 3.81Å; Q468-L486 HydrophobicContact CB-CD2 4.44Å; Q468-L486 HydrophobicContact CG-CB 4.04Å
469	E	93.1	Very high	91.9	Very high	111 Å²	111	57.6 Å²	57.6	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-76.4	-39	-179.1	-158	57	-141.2	0	0	111.6	S467 V471 R472 V473	S467-E469 PolarHBondContact O-N 2.86Å; E469-V471 VanDerWaalsContact C-N 3.3Å; E469-V471 PolarHBondContact O-N 3.23Å; E469-R472 WeakPolarHBondContact O-CB 3.15Å; E469-R472 PolarHBondContact O-N 3.39Å; E469-R472 VanDerWaalsContact O-N 3.1Å; E469-R472 WeakPolarHBondContact OE1-CD 3.37Å; E469-V473 WeakPolarHBondContact O-CB 3.28Å; E469-V473 WeakPolarHBondContact O-CG2 3.36Å; E469-V473 PolarHBondContact O-N 3.37Å
470	E	92.9	Very high	91.8	Very high	103 Å²	103	63.7 Å²	63.7	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-38.7	171.5	-71.4	159.2	125.2	0	0	111.7	M466 S467 L474	M466-E470 HydrophobicContact CE-CB 3.88Å; M466-E470 HydrophobicContact CG-CB 3.96Å; S467-E470 VanDerWaalsContact CB-OE2 3.22Å; S467-E470 WeakPolarHBondContact CB-OE2 3.29Å; S467-E470 PolarHBondContact N-OE2 3.02Å; S467-E470 PolarHBondContact O-N 3.41Å; S467-E470 VanDerWaalsContact OG-CG 3.32Å; S467-E470 WeakPolarHBondContact OG-CG 3.32Å; S467-E470 PolarHBondContact OG-N 3.25Å; S467-E470 VanDerWaalsContact OG-N 3.15Å; S467-E470 PolarHBondContact OG-OE2 2.81Å; E470-L474 VanDerWaalsContact O-CB 3.31Å; E470-L474 WeakPolarHBondContact O-CB 3.26Å; E470-L474 PolarHBondContact O-N 3.14Å
471	V	93.4	Very high	91.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-43.2	172.5	177.4	0	0	0	0	110.5	L462 M466 S467 E469 F475 A499 V501	L462-V471 HydrophobicContact CD1-CG2 3.8Å; L462-V471 HydrophobicContact CD2-CG2 4.31Å; M466-V471 HydrophobicContact CE-CG2 3.89Å; M466-V471 HydrophobicContact CG-CG2 4.05Å; M466-V471 HydrophobicContact SD-CG2 3.83Å; S467-V471 WeakPolarHBondContact O-CG2 3.45Å; S467-V471 PolarHBondContact O-N 3.44Å; E469-V471 VanDerWaalsContact C-N 3.3Å; E469-V471 PolarHBondContact O-N 3.23Å; V471-F475 HydrophobicContact CG1-CD2 4.12Å; V471-F475 HydrophobicContact CG1-CE2 4.5Å; V471-F475 WeakPolarHBondContact O-CD2 3.04Å; V471-F475 PolarHBondContact O-N 3.03Å; V471-F475 VanDerWaalsContact O-N 3.09Å; V471-A499 HydrophobicContact CG1-CB 4.07Å; V471-V501 HydrophobicContact CG1-CG2 4.17Å
472	R	95.1	Very high	92	Very high	104 Å²	104	61.2 Å²	61.2	39%	0.392	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-48.8	177.5	-168.3	-176.9	-166.5	155.9	8.8	111.7	Q468 E469 F475 S476 I481 C484	Q468-R472 WeakPolarHBondContact O-CB 3.2Å; Q468-R472 PolarHBondContact O-N 2.67Å; E469-R472 WeakPolarHBondContact O-CB 3.15Å; E469-R472 PolarHBondContact O-N 3.39Å; E469-R472 VanDerWaalsContact O-N 3.1Å; E469-R472 WeakPolarHBondContact OE1-CD 3.37Å; R472-F475 PolarHBondContact O-N 3.27Å; R472-S476 VanDerWaalsContact O-CB 3.24Å; R472-S476 WeakPolarHBondContact O-CB 3.26Å; R472-S476 PolarHBondContact O-N 3.02Å; R472-I481 HydrophobicContact CG-CD1 4.01Å; R472-I481 VanDerWaalsContact O-CD1 3.31Å; R472-I481 WeakPolarHBondContact O-CD1 3.49Å; R472-C484 HydrophobicContact CB-CB 4.22Å; R472-C484 HydrophobicContact CG-CB 4.24Å
473	V	93.5	Very high	92	Very high	92 Å²	92	64.2 Å²	64.2	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-61.6	-46	-179.8	170.1	0	0	0	0	111	E469 F475 S476 T477	E469-V473 WeakPolarHBondContact O-CB 3.28Å; E469-V473 WeakPolarHBondContact O-CG2 3.36Å; E469-V473 PolarHBondContact O-N 3.37Å; V473-F475 PolarHBondContact O-N 3.19Å; V473-S476 PolarHBondContact O-N 3.03Å; V473-T477 PolarHBondContact O-OG1 3.45Å
474	L	92.5	Very high	92.2	Very high	36 Å²	36	64.7 Å²	64.7	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-52.5	177.1	178.1	61.2	0	0	0	111.4	M466 E470 S476 T477 L516 L519 L521 I526	M466-L474 HydrophobicContact CE-CD2 4.16Å; E470-L474 VanDerWaalsContact O-CB 3.31Å; E470-L474 WeakPolarHBondContact O-CB 3.26Å; E470-L474 PolarHBondContact O-N 3.14Å; L474-S476 PolarHBondContact O-N 3.43Å; L474-T477 VanDerWaalsContact O-CB 3.28Å; L474-T477 WeakPolarHBondContact O-CB 3.5Å; L474-T477 PolarHBondContact O-N 3.2Å; L474-T477 PolarHBondContact O-OG1 2.95Å; L474-T477 VanDerWaalsContact O-OG1 3.09Å; L474-L516 HydrophobicContact CD1-CD2 4.03Å; L474-L516 HydrophobicContact CG-CD1 4.44Å; L474-L516 HydrophobicContact CG-CD2 4.41Å; L474-L519 HydrophobicContact CD1-CD2 3.9Å; L474-L519 HydrophobicContact CD2-CD2 4.15Å; L474-L521 HydrophobicContact CD2-CD1 3.9Å; L474-I526 HydrophobicContact CD2-CD1 4.25Å
475	F	93.7	Very high	92.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-74.2	-24.5	-176.6	-80.5	-98.5	0	0	0	113.2	L457 I459 V471 R472 V473 T477 C478 I481 V501 Y503 A512 L516 I526 V528	L457-F475 HydrophobicContact CD1-CE1 4.42Å; I459-F475 HydrophobicContact CB-CZ 4.31Å; I459-F475 HydrophobicContact CD1-CE1 4.21Å; I459-F475 HydrophobicContact CD1-CZ 4.3Å; I459-F475 HydrophobicContact CG1-CD1 4.41Å; I459-F475 HydrophobicContact CG1-CE1 3.65Å; I459-F475 HydrophobicContact CG1-CE2 3.81Å; I459-F475 HydrophobicContact CG1-CZ 3.32Å; I459-F475 HydrophobicContact CG2-CE2 4.18Å; I459-F475 HydrophobicContact CG2-CZ 3.95Å; V471-F475 HydrophobicContact CG1-CD2 4.12Å; V471-F475 HydrophobicContact CG1-CE2 4.5Å; V471-F475 WeakPolarHBondContact O-CD2 3.04Å; V471-F475 PolarHBondContact O-N 3.03Å; V471-F475 VanDerWaalsContact O-N 3.09Å; R472-F475 PolarHBondContact O-N 3.27Å; V473-F475 PolarHBondContact O-N 3.19Å; F475-T477 PolarHBondContact O-N 3.07Å; F475-T477 VanDerWaalsContact O-N 3.09Å; F475-C478 PolarHBondContact O-N 3.41Å; F475-C478 VanDerWaalsContact O-N 3.11Å; F475-I481 HydrophobicContact CB-CD1 3.72Å; F475-V501 HydrophobicContact CB-CG1 4.18Å; F475-V501 HydrophobicContact CB-CG2 4.3Å; F475-V501 HydrophobicContact CD1-CG2 4.46Å; F475-V501 HydrophobicContact CG-CG2 4.19Å; F475-Y503 WeakPolarHBondContact CB-OH 3.26Å; F475-Y503 HydrophobicContact CD1-CE2 4.47Å; F475-Y503 WeakPolarHBondContact CD1-OH 3.3Å; F475-Y503 PolarHBondContact O-OH 2.67Å; F475-A512 HydrophobicContact CD1-CB 4.39Å; F475-L516 HydrophobicContact CB-CD1 4.49Å; F475-L516 HydrophobicContact CD1-CD1 3.6Å; F475-L516 HydrophobicContact CD2-CD1 4.08Å; F475-L516 HydrophobicContact CE1-CB 4.24Å; F475-L516 HydrophobicContact CE1-CD1 3.58Å; F475-L516 HydrophobicContact CE2-CD1 4.06Å; F475-L516 HydrophobicContact CG-CD1 3.84Å; F475-L516 HydrophobicContact CZ-CB 4.12Å; F475-L516 HydrophobicContact CZ-CD1 3.8Å; F475-I526 HydrophobicContact CE2-CD1 4.3Å; F475-I526 HydrophobicContact CZ-CD1 4.22Å; F475-V528 HydrophobicContact CE1-CG1 3.88Å; F475-V528 HydrophobicContact CE1-CG2 3.98Å; F475-V528 HydrophobicContact CZ-CG1 4.36Å; F475-V528 HydrophobicContact CZ-CG2 3.65Å
476	S	93.5	Very high	92.9	Very high	69 Å²	69	59.4 Å²	59.4	48%	0.483	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.7	173.6	-167	0	0	0	0	113.1	R472 V473 L474 C478	R472-S476 VanDerWaalsContact O-CB 3.24Å; R472-S476 WeakPolarHBondContact O-CB 3.26Å; R472-S476 PolarHBondContact O-N 3.02Å; V473-S476 PolarHBondContact O-N 3.03Å; L474-S476 PolarHBondContact O-N 3.43Å; S476-C478 PolarHBondContact O-N 3.06Å
477	T	92	Very high	93	Very high	88 Å²	88	59.9 Å²	59.9	54%	0.54	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.4	174.1	-47	0	0	0	0	112.9	V473 L474 F475 K515	V473-T477 PolarHBondContact O-OG1 3.45Å; L474-T477 VanDerWaalsContact O-CB 3.28Å; L474-T477 WeakPolarHBondContact O-CB 3.5Å; L474-T477 PolarHBondContact O-N 3.2Å; L474-T477 PolarHBondContact O-OG1 2.95Å; L474-T477 VanDerWaalsContact O-OG1 3.09Å; F475-T477 PolarHBondContact O-N 3.07Å; F475-T477 VanDerWaalsContact O-N 3.09Å; T477-K515 PolarHBondContact O-NZ 3.46Å
478	C	90.5	Very high	93	Very high	12 Å²	12	63.7 Å²	63.7	8%	0.081	32%	0.323	C	S	.	.	S	Bend	trans	-122	-7.8	179.8	-56.4	0	0	0	0	114.3	F475 S476 A512	F475-C478 PolarHBondContact O-N 3.41Å; F475-C478 VanDerWaalsContact O-N 3.11Å; S476-C478 PolarHBondContact O-N 3.06Å; C478-A512 HydrophobicContact CB-CB 3.72Å
479	G	90.9	Very high	92.7	Very high	19 Å²	19	62.1 Å²	62.1	20%	0.196	32%	0.317	C	S	.	.	S	Bend	trans	156.9	-178.9	-179.1	0	0	0	0	0	113.9	I481 E508	G479-I481 PolarHBondContact O-N 2.97Å; G479-E508 WeakPolarHBondContact CA-OE1 3.34Å
480	Q	92.9	Very high	92.4	Very high	128 Å²	128	66.6 Å²	66.6	60%	0.598	34%	0.335	S	S	*	.			trans	-77.1	114.1	-178.5	-172.2	174.1	1.9	0	0	111.6	Y503 S504 E508	Q480-Y503 CarbonylContact O-C 3.51Å; Q480-Y503 WeakPolarHBondContact O-CA 3.31Å; Q480-S504 PolarHBondContact O-N 3Å; Q480-S504 PolarHBondContact O-OG 3.45Å; Q480-E508 PolarHBondContact N-OE1 3.36Å
481	I	93.6	Very high	92	Very high	14 Å²	14	69.1 Å²	69.1	7%	0.072	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116	175.6	-63.1	175.9	0	0	0	110.4	R472 F475 G479 S483 C484 V501 K502 Y503	R472-I481 HydrophobicContact CG-CD1 4.01Å; R472-I481 VanDerWaalsContact O-CD1 3.31Å; R472-I481 WeakPolarHBondContact O-CD1 3.49Å; F475-I481 HydrophobicContact CB-CD1 3.72Å; G479-I481 PolarHBondContact O-N 2.97Å; I481-S483 VanDerWaalsContact CG2-C 3.42Å; I481-S483 VanDerWaalsContact CG2-O 3.31Å; I481-S483 WeakPolarHBondContact CG2-O 3.49Å; I481-C484 HydrophobicContact CG2-CB 4.11Å; I481-V501 HydrophobicContact CD1-CG1 3.85Å; I481-V501 HydrophobicContact CG1-CG1 3.8Å; I481-V501 HydrophobicContact CG2-CG1 4.03Å; I481-K502 CarbonylContact C-O 3.59Å; I481-Y503 HydrophobicContact CG1-CD1 4.39Å; I481-Y503 HydrophobicContact CG1-CE1 3.98Å
482	E	93.5	Very high	91.7	Very high	112 Å²	112	72.7 Å²	72.7	52%	0.523	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-43.7	167.5	-174.3	-170	126.3	0	0	111	K502	E482-K502 HydrophobicContact CB-CG 4.49Å; E482-K502 PolarHBondContact N-O 3.44Å; E482-K502 WeakPolarHBondContact OE1-CD 3.44Å; E482-K502 IonicContact OE1-NZ 2.67Å; E482-K502 PolarHBondContact OE1-NZ 3.05Å; E482-K502 IonicContact OE2-NZ 2.66Å; E482-K502 PolarHBondContact OE2-NZ 3.33Å
483	S	92.7	Very high	91.1	Very high	63 Å²	63	69.5 Å²	69.5	44%	0.441	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	137.3	-179	-158.2	0	0	0	0	112.5	I481 V501 K502	I481-S483 VanDerWaalsContact CG2-C 3.42Å; I481-S483 VanDerWaalsContact CG2-O 3.31Å; I481-S483 WeakPolarHBondContact CG2-O 3.49Å; S483-V501 CarbonylContact O-C 3.55Å; S483-V501 WeakPolarHBondContact O-CA 3.48Å; S483-K502 PolarHBondContact N-O 3.4Å; S483-K502 PolarHBondContact O-N 3.4Å
484	C	93.8	Very high	90.8	Very high	14 Å²	14	70 Å²	70	10%	0.095	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.2	168.9	176.8	0	0	0	0	108.5	Q468 R472 I481 F500 V501	Q468-C484 PolarHBondContact NE2-O 2.96Å; R472-C484 HydrophobicContact CB-CB 4.22Å; R472-C484 HydrophobicContact CG-CB 4.24Å; I481-C484 HydrophobicContact CG2-CB 4.11Å; C484-F500 WeakPolarHBondContact CA-O 3.19Å; C484-V501 HydrophobicContact CB-CG2 4.36Å
485	K	94.2	Very high	90.6	Very high	130 Å²	130	69 Å²	69	57%	0.565	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	106.3	-178.7	-170.6	178.5	-178	173.4	0	111.1	I487 A499 F500	K485-I487 HydrophobicContact CD-CD1 4.11Å; K485-I487 HydrophobicContact CG-CD1 4.02Å; K485-A499 CarbonylContact O-C 3.6Å; K485-A499 VanDerWaalsContact O-CA 3.3Å; K485-A499 WeakPolarHBondContact O-CA 2.99Å; K485-F500 PolarHBondContact N-O 3.33Å; K485-F500 PolarHBondContact O-N 3.32Å
486	L	94.1	Very high	90.3	Very high	10 Å²	10	73.2 Å²	73.2	5%	0.052	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129	171	178.4	65.4	0	0	0	109.1	L462 M466 Q468 A499	L462-L486 HydrophobicContact CD1-CD1 3.8Å; M466-L486 WeakPolarHBondContact O-CD2 3.32Å; Q468-L486 HydrophobicContact CB-CB 3.81Å; Q468-L486 HydrophobicContact CB-CD2 4.44Å; Q468-L486 HydrophobicContact CG-CB 4.04Å; L486-A499 HydrophobicContact CB-CB 4.5Å; L486-A499 HydrophobicContact CD1-CB 4.1Å
487	I	92.7	Very high	90.2	Very high	31 Å²	31	70.4 Å²	70.4	16%	0.159	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.6	178.3	-51.1	-57.2	0	0	0	110	K485 L496 Y498 F500	K485-I487 HydrophobicContact CD-CD1 4.11Å; K485-I487 HydrophobicContact CG-CD1 4.02Å; I487-L496 HydrophobicContact CG2-CD1 3.79Å; I487-L496 HydrophobicContact CG2-CG 4.34Å; I487-L496 PolarHBondContact O-N 3.14Å; I487-Y498 HydrophobicContact CB-CD2 4.23Å; I487-Y498 HydrophobicContact CB-CE1 4.25Å; I487-Y498 HydrophobicContact CB-CE2 3.88Å; I487-Y498 HydrophobicContact CG1-CD2 3.93Å; I487-Y498 HydrophobicContact CG1-CE2 3.56Å; I487-Y498 HydrophobicContact CG2-CE1 4.29Å; I487-Y498 HydrophobicContact CG2-CE2 4.24Å; I487-Y498 PolarHBondContact N-O 2.84Å; I487-F500 HydrophobicContact CD1-CD2 4.01Å; I487-F500 HydrophobicContact CD1-CE2 4.12Å; I487-F500 HydrophobicContact CG1-CD2 3.94Å; I487-F500 HydrophobicContact CG1-CE2 3.85Å
488	R	91.6	Very high	90.3	Very high	116 Å²	116	69.9 Å²	69.9	44%	0.438	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.2	178.2	-74.4	170.5	175.6	-143.4	-3.8	109.6	G493 E494 S495	R488-G493 WeakPolarHBondContact CD-O 3.43Å; R488-E494 CarbonylContact C-O 3.48Å; R488-E494 WeakPolarHBondContact CA-O 3.45Å; R488-E494 WeakPolarHBondContact CB-O 3.18Å; R488-S495 PolarHBondContact NE-OG 3.47Å; R488-S495 PolarHBondContact NH2-OG 2.94Å
489	D	87.5	Confident	90.5	Very high	52 Å²	52	69.3 Å²	69.3	28%	0.278	35%	0.353	S	S	.	.			trans	-60.1	141.1	169.4	-179.6	29.5	0	0	0	109.9	L491 T492 G493 E494 L496	D489-L491 VanDerWaalsContact C-N 3.28Å; D489-L491 PolarHBondContact OD1-N 3.04Å; D489-L491 WeakPolarHBondContact OD2-CB 3.42Å; D489-L491 PolarHBondContact OD2-N 2.71Å; D489-T492 PolarHBondContact OD2-N 3.15Å; D489-T492 PolarHBondContact OD2-OG1 2.74Å; D489-G493 VanDerWaalsContact O-CA 3.27Å; D489-G493 WeakPolarHBondContact O-CA 3.49Å; D489-G493 PolarHBondContact O-N 2.82Å; D489-G493 VanDerWaalsContact O-N 3.1Å; D489-E494 PolarHBondContact N-O 2.85Å; D489-L496 HydrophobicContact CB-CD2 3.91Å
490	K	86.6	Confident	90.7	Very high	205 Å²	205	71.2 Å²	71.2	89%	0.891	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.2	178.5	-63.4	179.3	-177.7	175.1	0	112.3
491	L	83	Confident	90.8	Very high	156 Å²	156	65.1 Å²	65.1	82%	0.817	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-50.9	-176.6	-54.7	177.4	0	0	0	111.9	D489	D489-L491 VanDerWaalsContact C-N 3.28Å; D489-L491 PolarHBondContact OD1-N 3.04Å; D489-L491 WeakPolarHBondContact OD2-CB 3.42Å; D489-L491 PolarHBondContact OD2-N 2.71Å
492	T	87.1	Confident	90.8	Very high	75 Å²	75	67.1 Å²	67.1	46%	0.46	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-23.2	179.9	69.7	0	0	0	0	114.2	D489 E494	D489-T492 PolarHBondContact OD2-N 3.15Å; D489-T492 PolarHBondContact OD2-OG1 2.74Å; T492-E494 VanDerWaalsContact CB-OE2 3.25Å; T492-E494 WeakPolarHBondContact CB-OE2 3.22Å; T492-E494 PolarHBondContact O-N 2.88Å; T492-E494 VanDerWaalsContact OG1-CB 3.32Å; T492-E494 WeakPolarHBondContact OG1-CB 3.29Å; T492-E494 VanDerWaalsContact OG1-CG 3.26Å; T492-E494 WeakPolarHBondContact OG1-CG 3.44Å; T492-E494 PolarHBondContact OG1-N 2.79Å; T492-E494 PolarHBondContact OG1-OE2 3.46Å
493	G	84.1	Confident	90.9	Very high	37 Å²	37	61.8 Å²	61.8	38%	0.381	31%	0.311	S	S	.	.			trans	75.9	2.3	-171	0	0	0	0	0	114.5	R488 D489	R488-G493 WeakPolarHBondContact CD-O 3.43Å; D489-G493 VanDerWaalsContact O-CA 3.27Å; D489-G493 WeakPolarHBondContact O-CA 3.49Å; D489-G493 PolarHBondContact O-N 2.82Å; D489-G493 VanDerWaalsContact O-N 3.1Å
494	E	85.4	Confident	90.9	Very high	104 Å²	104	61 Å²	61	49%	0.486	31%	0.305	S	S	.	.			trans	-72.7	144.6	178.8	-64.5	166.1	135.5	0	0	111.4	R488 D489 T492 L496	R488-E494 CarbonylContact C-O 3.48Å; R488-E494 WeakPolarHBondContact CA-O 3.45Å; R488-E494 WeakPolarHBondContact CB-O 3.18Å; D489-E494 PolarHBondContact N-O 2.85Å; T492-E494 VanDerWaalsContact CB-OE2 3.25Å; T492-E494 WeakPolarHBondContact CB-OE2 3.22Å; T492-E494 PolarHBondContact O-N 2.88Å; T492-E494 VanDerWaalsContact OG1-CB 3.32Å; T492-E494 WeakPolarHBondContact OG1-CB 3.29Å; T492-E494 VanDerWaalsContact OG1-CG 3.26Å; T492-E494 WeakPolarHBondContact OG1-CG 3.44Å; T492-E494 PolarHBondContact OG1-N 2.79Å; T492-E494 PolarHBondContact OG1-OE2 3.46Å; E494-L496 PolarHBondContact O-N 2.87Å
495	S	88.6	Confident	90.8	Very high	14 Å²	14	65.5 Å²	65.5	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.7	178.6	-46.7	0	0	0	0	110.9	P464 R488 G497	P464-S495 WeakPolarHBondContact O-CB 3.43Å; P464-S495 PolarHBondContact O-OG 3.29Å; R488-S495 PolarHBondContact NE-OG 3.47Å; R488-S495 PolarHBondContact NH2-OG 2.94Å; S495-G497 PolarHBondContact O-N 3.05Å
496	L	88.7	Confident	90.8	Very high	89 Å²	89	60.6 Å²	60.6	47%	0.466	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	6	176.9	-61.3	-171.6	0	0	0	113.3	I487 D489 E494 Y498	I487-L496 HydrophobicContact CG2-CD1 3.79Å; I487-L496 HydrophobicContact CG2-CG 4.34Å; I487-L496 PolarHBondContact O-N 3.14Å; D489-L496 HydrophobicContact CB-CD2 3.91Å; E494-L496 PolarHBondContact O-N 2.87Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; L496-Y498 HydrophobicContact CB-CD1 3.73Å; L496-Y498 HydrophobicContact CB-CE1 3.5Å; L496-Y498 VanDerWaalsContact CB-CE1 3.5Å; L496-Y498 HydrophobicContact CD1-CE1 3.81Å; L496-Y498 HydrophobicContact CG-CE1 4.3Å; L496-Y498 PolarHBondContact O-N 3.01Å
497	G	90.4	Very high	90.7	Very high	10 Å²	10	64.8 Å²	64.8	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.4	17	-179.5	0	0	0	0	0	114.4	Y461 L462 S495	Y461-G497 PolarHBondContact N-O 3.24Å; L462-G497 PolarHBondContact N-O 2.94Å; S495-G497 PolarHBondContact O-N 3.05Å
498	Y	93.7	Very high	90.7	Very high	76 Å²	76	64.9 Å²	64.9	30%	0.298	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.1	172.9	71.4	-81.5	0	0	0	113.6	I458 I459 I487 L496 F500	I458-Y498 HydrophobicContact CD1-CD2 4.27Å; I459-Y498 CarbonylContact O-C 3.57Å; I459-Y498 WeakPolarHBondContact O-CA 3.26Å; I459-Y498 VanDerWaalsContact O-CB 3.25Å; I459-Y498 WeakPolarHBondContact O-CB 3.38Å; I487-Y498 HydrophobicContact CB-CD2 4.23Å; I487-Y498 HydrophobicContact CB-CE1 4.25Å; I487-Y498 HydrophobicContact CB-CE2 3.88Å; I487-Y498 HydrophobicContact CG1-CD2 3.93Å; I487-Y498 HydrophobicContact CG1-CE2 3.56Å; I487-Y498 HydrophobicContact CG2-CE1 4.29Å; I487-Y498 HydrophobicContact CG2-CE2 4.24Å; I487-Y498 PolarHBondContact N-O 2.84Å; L496-Y498 VanDerWaalsContact C-N 3.33Å; L496-Y498 HydrophobicContact CB-CD1 3.73Å; L496-Y498 HydrophobicContact CB-CE1 3.5Å; L496-Y498 VanDerWaalsContact CB-CE1 3.5Å; L496-Y498 HydrophobicContact CD1-CE1 3.81Å; L496-Y498 HydrophobicContact CG-CE1 4.3Å; L496-Y498 PolarHBondContact O-N 3.01Å; Y498-F500 HydrophobicContact CD2-CE2 4.08Å; Y498-F500 HydrophobicContact CD2-CZ 4.38Å; Y498-F500 AromaticContact CE2-CE2 3.78Å; Y498-F500 HydrophobicContact CE2-CE2 3.78Å; Y498-F500 HydrophobicContact CE2-CZ 4.12Å
499	A	95.1	Very high	90.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.3	177.9	0	0	0	0	0	110.9	I459 L462 V471 K485 L486	I459-A499 PolarHBondContact N-O 3.09Å; I459-A499 PolarHBondContact O-N 2.76Å; L462-A499 HydrophobicContact CD1-CB 3.58Å; V471-A499 HydrophobicContact CG1-CB 4.07Å; K485-A499 CarbonylContact O-C 3.6Å; K485-A499 VanDerWaalsContact O-CA 3.3Å; K485-A499 WeakPolarHBondContact O-CA 2.99Å; L486-A499 HydrophobicContact CB-CB 4.5Å; L486-A499 HydrophobicContact CD1-CB 4.1Å
500	F	95.4	Very high	91.1	Very high	59 Å²	59	60.8 Å²	60.8	26%	0.259	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.6	167	-62.3	-85.9	0	0	0	110	L457 I458 C484 K485 I487 Y498 A531	L457-F500 VanDerWaalsContact O-CA 3.25Å; L457-F500 WeakPolarHBondContact O-CA 3.43Å; I458-F500 HydrophobicContact CB-CD1 3.94Å; I458-F500 HydrophobicContact CB-CE1 3.82Å; I458-F500 HydrophobicContact CD1-CE1 3.75Å; I458-F500 HydrophobicContact CD1-CZ 3.95Å; I458-F500 HydrophobicContact CG1-CD1 4.09Å; I458-F500 HydrophobicContact CG1-CE1 3.74Å; I458-F500 HydrophobicContact CG1-CZ 4.23Å; C484-F500 WeakPolarHBondContact CA-O 3.19Å; K485-F500 PolarHBondContact N-O 3.33Å; K485-F500 PolarHBondContact O-N 3.32Å; I487-F500 HydrophobicContact CD1-CD2 4.01Å; I487-F500 HydrophobicContact CD1-CE2 4.12Å; I487-F500 HydrophobicContact CG1-CD2 3.94Å; I487-F500 HydrophobicContact CG1-CE2 3.85Å; Y498-F500 HydrophobicContact CD2-CE2 4.08Å; Y498-F500 HydrophobicContact CD2-CZ 4.38Å; Y498-F500 AromaticContact CE2-CE2 3.78Å; Y498-F500 HydrophobicContact CE2-CE2 3.78Å; Y498-F500 HydrophobicContact CE2-CZ 4.12Å; F500-A531 HydrophobicContact CD1-CB 3.94Å; F500-A531 HydrophobicContact CE1-CB 4.11Å
501	V	95.3	Very high	91.5	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.7	174.1	174.5	0	0	0	0	108.2	L457 I459 V471 F475 I481 S483 C484 Y503	L457-V501 WeakPolarHBondContact CB-O 3.44Å; L457-V501 PolarHBondContact N-O 3.09Å; L457-V501 PolarHBondContact O-N 3.02Å; I459-V501 HydrophobicContact CD1-CB 3.89Å; I459-V501 HydrophobicContact CD1-CG2 3.65Å; V471-V501 HydrophobicContact CG1-CG2 4.17Å; F475-V501 HydrophobicContact CB-CG1 4.18Å; F475-V501 HydrophobicContact CB-CG2 4.3Å; F475-V501 HydrophobicContact CD1-CG2 4.46Å; F475-V501 HydrophobicContact CG-CG2 4.19Å; I481-V501 HydrophobicContact CD1-CG1 3.85Å; I481-V501 HydrophobicContact CG1-CG1 3.8Å; I481-V501 HydrophobicContact CG2-CG1 4.03Å; S483-V501 CarbonylContact O-C 3.55Å; S483-V501 WeakPolarHBondContact O-CA 3.48Å; C484-V501 HydrophobicContact CB-CG2 4.36Å; V501-Y503 HydrophobicContact CG1-CD2 4.2Å; V501-Y503 HydrophobicContact CG1-CE2 3.78Å
502	K	94.1	Very high	92	Very high	56 Å²	56	48.2 Å²	48.2	24%	0.243	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.8	172.4	-172.6	-177.5	-175.7	-132.3	0	109.6	T455 N456 I481 E482 S483	T455-K502 WeakPolarHBondContact O-CA 3.35Å; T455-K502 WeakPolarHBondContact OG1-CE 3.43Å; N456-K502 WeakPolarHBondContact OD1-CD 3.43Å; N456-K502 WeakPolarHBondContact OD1-CG 3.36Å; I481-K502 CarbonylContact C-O 3.59Å; E482-K502 HydrophobicContact CB-CG 4.49Å; E482-K502 PolarHBondContact N-O 3.44Å; E482-K502 WeakPolarHBondContact OE1-CD 3.44Å; E482-K502 IonicContact OE1-NZ 2.67Å; E482-K502 PolarHBondContact OE1-NZ 3.05Å; E482-K502 IonicContact OE2-NZ 2.66Å; E482-K502 PolarHBondContact OE2-NZ 3.33Å; S483-K502 PolarHBondContact N-O 3.4Å; S483-K502 PolarHBondContact O-N 3.4Å
503	Y	95.2	Very high	92.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	161.6	172.6	-75.2	-85.2	0	0	0	112.1	T455 L457 F475 Q480 I481 V501 H505 E508 A509 A512	T455-Y503 WeakPolarHBondContact CB-O 3.36Å; T455-Y503 PolarHBondContact O-N 3.21Å; L457-Y503 HydrophobicContact CD1-CD2 4.18Å; L457-Y503 HydrophobicContact CD1-CE2 3.68Å; L457-Y503 HydrophobicContact CG-CD2 4.36Å; L457-Y503 HydrophobicContact CG-CE2 4.3Å; F475-Y503 WeakPolarHBondContact CB-OH 3.26Å; F475-Y503 HydrophobicContact CD1-CE2 4.47Å; F475-Y503 WeakPolarHBondContact CD1-OH 3.3Å; F475-Y503 PolarHBondContact O-OH 2.67Å; Q480-Y503 CarbonylContact O-C 3.51Å; Q480-Y503 WeakPolarHBondContact O-CA 3.31Å; I481-Y503 HydrophobicContact CG1-CD1 4.39Å; I481-Y503 HydrophobicContact CG1-CE1 3.98Å; V501-Y503 HydrophobicContact CG1-CD2 4.2Å; V501-Y503 HydrophobicContact CG1-CE2 3.78Å; Y503-H505 VanDerWaalsContact C-N 3.34Å; Y503-E508 HydrophobicContact CD1-CB 3.6Å; Y503-E508 HydrophobicContact CE1-CB 4.28Å; Y503-E508 HydrophobicContact CG-CB 3.9Å; Y503-A509 HydrophobicContact CD2-CB 3.81Å; Y503-A509 HydrophobicContact CG-CB 4.34Å; Y503-A512 HydrophobicContact CE2-CB 3.64Å; Y503-A512 VanDerWaalsContact OH-CB 3.28Å; Y503-A512 WeakPolarHBondContact OH-CB 3.45Å
504	S	92.9	Very high	92.8	Very high	45 Å²	45	52.5 Å²	52.5	32%	0.315	26%	0.259	S	S	.	.	S	Bend	trans	-68.6	-32.3	170.7	-63.5	0	0	0	0	112.5	Q480	Q480-S504 PolarHBondContact O-N 3Å; Q480-S504 PolarHBondContact O-OG 3.45Å
505	H	91.6	Very high	93.1	Very high	110 Å²	110	54 Å²	54	51%	0.509	26%	0.263	S	S	.	.	S	Bend	trans	-128.9	145.4	-176.7	-46	86.6	0	0	0	112.7	Y503 N507 E508 A509	Y503-H505 VanDerWaalsContact C-N 3.34Å; H505-N507 VanDerWaalsContact C-N 3.3Å; H505-N507 PolarHBondContact O-N 2.82Å; H505-E508 HydrophobicContact CB-CG 4.1Å; H505-E508 IonicContact CE1-OE2 2.76Å; H505-E508 IonicContact CG-OE2 3.72Å; H505-E508 PolarHBondContact N-OE2 3.22Å; H505-E508 VanDerWaalsContact ND1-CD 3.28Å; H505-E508 IonicContact ND1-OE1 3.62Å; H505-E508 IonicContact ND1-OE2 3.5Å; H505-E508 PolarHBondContact ND1-OE2 3.48Å; H505-E508 PolarHBondContact O-N 3.34Å; H505-A509 PolarHBondContact O-N 3.03Å
506	S	92.9	Very high	93.3	Very high	26 Å²	26	53.8 Å²	53.8	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-40	175.4	176.5	0	0	0	0	111.9	E454 E508 A509 Q510	E454-S506 VanDerWaalsContact CB-OG 3.25Å; E454-S506 WeakPolarHBondContact CB-OG 3.4Å; E454-S506 PolarHBondContact OE2-OG 3.31Å; S506-E508 VanDerWaalsContact C-N 3.32Å; S506-E508 PolarHBondContact O-N 3.01Å; S506-A509 WeakPolarHBondContact O-CA 3.45Å; S506-A509 WeakPolarHBondContact O-CB 3.26Å; S506-A509 PolarHBondContact O-N 2.87Å; S506-Q510 WeakPolarHBondContact O-CG 3.06Å; S506-Q510 PolarHBondContact O-N 2.94Å; S506-Q510 PolarHBondContact OG-NE2 3.16Å
507	N	93.2	Very high	93.5	Very high	98 Å²	98	53.3 Å²	53.3	52%	0.524	26%	0.259	S	S	.	.	H	α-helix	trans	-57.8	-40.5	177.3	-170.3	-3.6	0	0	0	112.5	H505 Q510 Q511	H505-N507 VanDerWaalsContact C-N 3.3Å; H505-N507 PolarHBondContact O-N 2.82Å; N507-Q510 PolarHBondContact O-N 2.9Å; N507-Q511 WeakPolarHBondContact O-CB 3.47Å; N507-Q511 VanDerWaalsContact O-CG 3.29Å; N507-Q511 WeakPolarHBondContact O-CG 3.38Å; N507-Q511 PolarHBondContact O-N 2.79Å; N507-Q511 PolarHBondContact OD1-NE2 2.81Å
508	E	93.5	Very high	93.5	Very high	33 Å²	33	54.9 Å²	54.9	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-39	175.4	-63.2	173.7	126.4	0	0	111.8	G479 Q480 Y503 H505 S506 A512	G479-E508 WeakPolarHBondContact CA-OE1 3.34Å; Q480-E508 PolarHBondContact N-OE1 3.36Å; Y503-E508 HydrophobicContact CD1-CB 3.6Å; Y503-E508 HydrophobicContact CE1-CB 4.28Å; Y503-E508 HydrophobicContact CG-CB 3.9Å; H505-E508 HydrophobicContact CB-CG 4.1Å; H505-E508 IonicContact CE1-OE2 2.76Å; H505-E508 IonicContact CG-OE2 3.72Å; H505-E508 PolarHBondContact N-OE2 3.22Å; H505-E508 VanDerWaalsContact ND1-CD 3.28Å; H505-E508 IonicContact ND1-OE1 3.62Å; H505-E508 IonicContact ND1-OE2 3.5Å; H505-E508 PolarHBondContact ND1-OE2 3.48Å; H505-E508 PolarHBondContact O-N 3.34Å; S506-E508 VanDerWaalsContact C-N 3.32Å; S506-E508 PolarHBondContact O-N 3.01Å; E508-A512 VanDerWaalsContact O-CB 3.26Å; E508-A512 WeakPolarHBondContact O-CB 3.35Å; E508-A512 PolarHBondContact O-N 2.76Å
509	A	93.7	Very high	93.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-41	176.1	0	0	0	0	0	112.1	E454 L457 Y503 H505 S506 A512 I513	E454-A509 VanDerWaalsContact O-CB 3.25Å; E454-A509 WeakPolarHBondContact O-CB 3.43Å; L457-A509 HydrophobicContact CD1-CB 4.47Å; L457-A509 HydrophobicContact CD2-CB 3.92Å; L457-A509 HydrophobicContact CG-CB 4.15Å; Y503-A509 HydrophobicContact CD2-CB 3.81Å; Y503-A509 HydrophobicContact CG-CB 4.34Å; H505-A509 PolarHBondContact O-N 3.03Å; S506-A509 WeakPolarHBondContact O-CA 3.45Å; S506-A509 WeakPolarHBondContact O-CB 3.26Å; S506-A509 PolarHBondContact O-N 2.87Å; A509-A512 PolarHBondContact O-N 3.39Å; A509-I513 WeakPolarHBondContact O-CG1 3.4Å; A509-I513 PolarHBondContact O-N 3.35Å
510	Q	93.5	Very high	93	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-65.3	-45.7	174.2	-69.1	176.1	-2.7	0	0	111.4	S506 N507 A512 I513 H514	S506-Q510 WeakPolarHBondContact O-CG 3.06Å; S506-Q510 PolarHBondContact O-N 2.94Å; S506-Q510 PolarHBondContact OG-NE2 3.16Å; N507-Q510 PolarHBondContact O-N 2.9Å; Q510-A512 VanDerWaalsContact C-N 3.32Å; Q510-A512 PolarHBondContact O-N 3.48Å; Q510-I513 WeakPolarHBondContact O-CB 3.36Å; Q510-I513 PolarHBondContact O-N 2.94Å; Q510-H514 PolarHBondContact O-CD2 3.25Å; Q510-H514 PolarHBondContact O-N 3.05Å
511	Q	93.6	Very high	92.7	Very high	98 Å²	98	57.3 Å²	57.3	46%	0.458	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-40.4	173.3	-74.7	178.2	47.1	0	0	112.2	N507 H514 K515	N507-Q511 WeakPolarHBondContact O-CB 3.47Å; N507-Q511 VanDerWaalsContact O-CG 3.29Å; N507-Q511 WeakPolarHBondContact O-CG 3.38Å; N507-Q511 PolarHBondContact O-N 2.79Å; N507-Q511 PolarHBondContact OD1-NE2 2.81Å; Q511-H514 PolarHBondContact O-N 2.82Å; Q511-K515 WeakPolarHBondContact O-CB 3.49Å; Q511-K515 PolarHBondContact O-N 3.39Å
512	A	94.3	Very high	92	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-36.1	175.7	0	0	0	0	0	112.7	L457 F475 C478 Y503 E508 A509 Q510 L516	L457-A512 HydrophobicContact CD1-CB 3.79Å; F475-A512 HydrophobicContact CD1-CB 4.39Å; C478-A512 HydrophobicContact CB-CB 3.72Å; Y503-A512 HydrophobicContact CE2-CB 3.64Å; Y503-A512 VanDerWaalsContact OH-CB 3.28Å; Y503-A512 WeakPolarHBondContact OH-CB 3.45Å; E508-A512 VanDerWaalsContact O-CB 3.26Å; E508-A512 WeakPolarHBondContact O-CB 3.35Å; E508-A512 PolarHBondContact O-N 2.76Å; A509-A512 PolarHBondContact O-N 3.39Å; Q510-A512 VanDerWaalsContact C-N 3.32Å; Q510-A512 PolarHBondContact O-N 3.48Å; A512-L516 VanDerWaalsContact O-CB 3.26Å; A512-L516 WeakPolarHBondContact O-CB 3.39Å; A512-L516 PolarHBondContact O-N 2.91Å
513	I	94.2	Very high	91.5	Very high	33 Å²	33	69 Å²	69	17%	0.169	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-54.1	168.6	-68.1	163	0	0	0	109.6	L457 A509 Q510 K515 N517 V528 L530	L457-I513 HydrophobicContact CD1-CG1 4.26Å; L457-I513 HydrophobicContact CD2-CD1 3.63Å; L457-I513 HydrophobicContact CD2-CG1 3.74Å; A509-I513 WeakPolarHBondContact O-CG1 3.4Å; A509-I513 PolarHBondContact O-N 3.35Å; Q510-I513 WeakPolarHBondContact O-CB 3.36Å; Q510-I513 PolarHBondContact O-N 2.94Å; I513-K515 VanDerWaalsContact C-N 3.27Å; I513-K515 PolarHBondContact O-N 2.79Å; I513-N517 HydrophobicContact CG2-CB 4.46Å; I513-N517 WeakPolarHBondContact O-CB 3.29Å; I513-N517 PolarHBondContact O-N 2.96Å; I513-V528 HydrophobicContact CG1-CG1 3.94Å; I513-L530 HydrophobicContact CD1-CD2 3.81Å; I513-L530 HydrophobicContact CD1-CG 3.96Å
514	H	92.8	Very high	91.1	Very high	168 Å²	168	72.8 Å²	72.8	78%	0.778	38%	0.38	S	S	*	.	H	α-helix	trans	-62.9	-31.2	-174.8	-75.1	-141.1	0	0	0	113.1	Q510 Q511	Q510-H514 PolarHBondContact O-CD2 3.25Å; Q510-H514 PolarHBondContact O-N 3.05Å; Q511-H514 PolarHBondContact O-N 2.82Å
515	K	92	Very high	91.1	Very high	135 Å²	135	74.9 Å²	74.9	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-97.6	-25.7	-174.8	-172.7	172.6	172.9	-173.5	0	114.9	T477 Q511 I513	T477-K515 PolarHBondContact O-NZ 3.46Å; Q511-K515 WeakPolarHBondContact O-CB 3.49Å; Q511-K515 PolarHBondContact O-N 3.39Å; I513-K515 VanDerWaalsContact C-N 3.27Å; I513-K515 PolarHBondContact O-N 2.79Å
516	L	92.5	Very high	91.2	Very high	11 Å²	11	69.8 Å²	69.8	6%	0.058	37%	0.367	C	S	.	.	H	α-helix	trans	-117	-13.5	-174.6	-56.9	174.7	0	0	0	114.1	L474 F475 A512 G518 L519 I526 V528	L474-L516 HydrophobicContact CD1-CD2 4.03Å; L474-L516 HydrophobicContact CG-CD1 4.44Å; L474-L516 HydrophobicContact CG-CD2 4.41Å; F475-L516 HydrophobicContact CB-CD1 4.49Å; F475-L516 HydrophobicContact CD1-CD1 3.6Å; F475-L516 HydrophobicContact CD2-CD1 4.08Å; F475-L516 HydrophobicContact CE1-CB 4.24Å; F475-L516 HydrophobicContact CE1-CD1 3.58Å; F475-L516 HydrophobicContact CE2-CD1 4.06Å; F475-L516 HydrophobicContact CG-CD1 3.84Å; F475-L516 HydrophobicContact CZ-CB 4.12Å; F475-L516 HydrophobicContact CZ-CD1 3.8Å; A512-L516 VanDerWaalsContact O-CB 3.26Å; A512-L516 WeakPolarHBondContact O-CB 3.39Å; A512-L516 PolarHBondContact O-N 2.91Å; L516-G518 PolarHBondContact O-N 3.49Å; L516-L519 HydrophobicContact CD2-CD2 4.12Å; L516-L519 WeakPolarHBondContact O-CB 3.46Å; L516-L519 PolarHBondContact O-N 3.45Å; L516-I526 WeakPolarHBondContact O-CG1 3.47Å; L516-V528 HydrophobicContact CB-CG2 4.19Å
517	N	93	Very high	91.1	Very high	79 Å²	79	72.3 Å²	72.3	42%	0.422	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	131.3	171.9	-173.4	43.1	0	0	0	110.5	I513 L519 K527 V528	I513-N517 HydrophobicContact CG2-CB 4.46Å; I513-N517 WeakPolarHBondContact O-CB 3.29Å; I513-N517 PolarHBondContact O-N 2.96Å; N517-L519 VanDerWaalsContact C-N 3.33Å; N517-K527 WeakPolarHBondContact OD1-CA 3.47Å; N517-V528 HydrophobicContact CB-CB 4.03Å; N517-V528 HydrophobicContact CB-CG2 4.48Å; N517-V528 PolarHBondContact OD1-N 3.48Å; N517-V528 PolarHBondContact OD1-O 2.79Å
518	G	90.5	Very high	91.2	Very high	43 Å²	43	67.8 Å²	67.8	44%	0.443	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-9.2	-177	0	0	0	0	0	115.2	L516 S520 T525 I526	L516-G518 PolarHBondContact O-N 3.49Å; G518-S520 PolarHBondContact O-N 2.91Å; G518-T525 WeakPolarHBondContact O-CG2 3.38Å; G518-I526 WeakPolarHBondContact CA-O 3.37Å; G518-I526 PolarHBondContact N-O 2.94Å
519	L	91	Very high	91.1	Very high	62 Å²	62	68 Å²	68	33%	0.325	36%	0.356	S	S	.	.			trans	-57.4	126.7	-178.6	179.2	66.7	0	0	0	111.8	L474 L516 N517 L521 T525 I526	L474-L519 HydrophobicContact CD1-CD2 3.9Å; L474-L519 HydrophobicContact CD2-CD2 4.15Å; L516-L519 HydrophobicContact CD2-CD2 4.12Å; L516-L519 WeakPolarHBondContact O-CB 3.46Å; L516-L519 PolarHBondContact O-N 3.45Å; N517-L519 VanDerWaalsContact C-N 3.33Å; L519-L521 HydrophobicContact CD2-CD2 3.91Å; L519-L521 HydrophobicContact CD2-CG 4.48Å; L519-L521 HydrophobicContact CG-CD2 4.06Å; L519-L521 HydrophobicContact CG-CG 4.46Å; L519-L521 PolarHBondContact O-N 3.49Å; L519-T525 WeakPolarHBondContact O-CA 3.15Å; L519-I526 HydrophobicContact CB-CD1 4.09Å; L519-I526 HydrophobicContact CB-CG1 4.05Å; L519-I526 HydrophobicContact CD2-CD1 4.37Å; L519-I526 PolarHBondContact O-N 3.07Å
520	S	88.8	Confident	91	Very high	88 Å²	88	71.4 Å²	71.4	62%	0.615	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	106.2	178.9	42.1	0	0	0	0	111.6	G518	G518-S520 PolarHBondContact O-N 2.91Å
521	L	88	Confident	90.9	Very high	35 Å²	35	68.1 Å²	68.1	18%	0.183	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.9	172.9	-60.7	-173.8	0	0	0	109.8	P463 M466 L474 L519 N523 K524 I526	P463-L521 HydrophobicContact CG-CB 4Å; M466-L521 HydrophobicContact CE-CD1 3.84Å; M466-L521 HydrophobicContact SD-CD1 3.83Å; L474-L521 HydrophobicContact CD2-CD1 3.9Å; L519-L521 HydrophobicContact CD2-CD2 3.91Å; L519-L521 HydrophobicContact CD2-CG 4.48Å; L519-L521 HydrophobicContact CG-CD2 4.06Å; L519-L521 HydrophobicContact CG-CG 4.46Å; L519-L521 PolarHBondContact O-N 3.49Å; L521-N523 PolarHBondContact O-N 3.31Å; L521-K524 PolarHBondContact N-O 2.89Å; L521-K524 PolarHBondContact O-N 2.86Å; L521-K524 VanDerWaalsContact O-O 3.13Å; L521-I526 HydrophobicContact CB-CG2 4.34Å; L521-I526 HydrophobicContact CD1-CD1 4.29Å; L521-I526 HydrophobicContact CD1-CG2 3.73Å; L521-I526 HydrophobicContact CG-CG2 3.98Å
522	Q	80.7	Confident	90.4	Very high	141 Å²	141	66.4 Å²	66.4	66%	0.659	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-100.3	-175.1	-56	172.6	-3.8	0	0	111.4	P463	P463-Q522 HydrophobicContact CG-CG 4.44Å
523	N	83.3	Confident	89.8	Confident	162 Å²	162	70.1 Å²	70.1	87%	0.866	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	15.4	-176.3	-61.1	42.4	0	0	0	112.1	L521	L521-N523 PolarHBondContact O-N 3.31Å
524	K	88	Confident	88.8	Confident	80 Å²	80	75.8 Å²	75.8	35%	0.348	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.6	-180	-58.4	-174.7	-175.7	-175.4	0	110.8	Y461 L462 L521	Y461-K524 VanDerWaalsContact O-CB 3.25Å; Y461-K524 WeakPolarHBondContact O-CB 3.18Å; Y461-K524 WeakPolarHBondContact O-CD 3.32Å; L462-K524 PolarHBondContact O-NZ 3.35Å; L521-K524 PolarHBondContact N-O 2.89Å; L521-K524 PolarHBondContact O-N 2.86Å; L521-K524 VanDerWaalsContact O-O 3.13Å
525	T	91.3	Very high	87.7	Confident	89 Å²	89	71 Å²	71	55%	0.546	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.5	164.8	43.1	0	0	0	0	109.2	Y461 G518 L519	Y461-T525 WeakPolarHBondContact CB-O 3.36Å; G518-T525 WeakPolarHBondContact O-CG2 3.38Å; L519-T525 WeakPolarHBondContact O-CA 3.15Å
526	I	93.5	Very high	86.8	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	39%	0.391	C	S	.	.			trans	-77.6	137.7	-179.3	71.9	-178.5	0	0	0	109.9	I459 N460 L462 L474 F475 L516 G518 L519 L521 V528	I459-I526 HydrophobicContact CG2-CB 4.25Å; I459-I526 HydrophobicContact CG2-CD1 4.31Å; N460-I526 WeakPolarHBondContact O-CA 3.11Å; L462-I526 HydrophobicContact CD2-CG2 4.02Å; L474-I526 HydrophobicContact CD2-CD1 4.25Å; F475-I526 HydrophobicContact CE2-CD1 4.3Å; F475-I526 HydrophobicContact CZ-CD1 4.22Å; L516-I526 WeakPolarHBondContact O-CG1 3.47Å; G518-I526 WeakPolarHBondContact CA-O 3.37Å; G518-I526 PolarHBondContact N-O 2.94Å; L519-I526 HydrophobicContact CB-CD1 4.09Å; L519-I526 HydrophobicContact CB-CG1 4.05Å; L519-I526 HydrophobicContact CD2-CD1 4.37Å; L519-I526 PolarHBondContact O-N 3.07Å; L521-I526 HydrophobicContact CB-CG2 4.34Å; L521-I526 HydrophobicContact CD1-CD1 4.29Å; L521-I526 HydrophobicContact CD1-CG2 3.73Å; L521-I526 HydrophobicContact CG-CG2 3.98Å; I526-V528 HydrophobicContact CD1-CG2 4.19Å; I526-V528 HydrophobicContact CG1-CG2 4.18Å
527	K	92.2	Very high	86	Confident	80 Å²	80	72.4 Å²	72.4	35%	0.348	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.2	171.5	-179.3	167.5	-178.5	170.7	0	109.7	N460 Y461 N517	N460-K527 HydrophobicContact CB-CB 4.4Å; N460-K527 PolarHBondContact N-O 2.87Å; N460-K527 PolarHBondContact O-N 3.48Å; Y461-K527 HydrophobicContact CD2-CB 3.89Å; Y461-K527 HydrophobicContact CE2-CB 3.95Å; N517-K527 WeakPolarHBondContact OD1-CA 3.47Å
528	V	94.1	Very high	85.3	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.5	178.1	-172	0	0	0	0	108.3	L457 I459 F475 I513 L516 N517 I526	L457-V528 HydrophobicContact CB-CG1 4.49Å; L457-V528 HydrophobicContact CD1-CG1 3.72Å; I459-V528 HydrophobicContact CG1-CG2 4.47Å; I459-V528 HydrophobicContact CG2-CG2 4.29Å; F475-V528 HydrophobicContact CE1-CG1 3.88Å; F475-V528 HydrophobicContact CE1-CG2 3.98Å; F475-V528 HydrophobicContact CZ-CG1 4.36Å; F475-V528 HydrophobicContact CZ-CG2 3.65Å; I513-V528 HydrophobicContact CG1-CG1 3.94Å; L516-V528 HydrophobicContact CB-CG2 4.19Å; N517-V528 HydrophobicContact CB-CB 4.03Å; N517-V528 HydrophobicContact CB-CG2 4.48Å; N517-V528 PolarHBondContact OD1-N 3.48Å; N517-V528 PolarHBondContact OD1-O 2.79Å; I526-V528 HydrophobicContact CD1-CG2 4.19Å; I526-V528 HydrophobicContact CG1-CG2 4.18Å
529	S	92.3	Very high	84.7	Confident	39 Å²	39	72.5 Å²	72.5	27%	0.273	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.4	177	59	0	0	0	0	110.6	L457 I458 A531	L457-S529 CarbonylContact C-O 2.93Å; L457-S529 WeakPolarHBondContact CA-O 3.3Å; I458-S529 WeakPolarHBondContact CG2-OG 3.3Å; I458-S529 PolarHBondContact N-O 2.9Å; I458-S529 PolarHBondContact O-N 2.66Å; I458-S529 VanDerWaalsContact O-N 3.11Å; S529-A531 PolarHBondContact O-N 3.14Å
530	L	92.1	Very high	84.1	Confident	70 Å²	70	73.6 Å²	73.6	37%	0.366	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	134.4	168.7	-63.2	-179.3	0	0	0	110.5	E454 N456 L457 I513	E454-L530 HydrophobicContact CB-CD2 4.37Å; E454-L530 WeakPolarHBondContact O-CD2 3.49Å; N456-L530 CarbonylContact O-C 3.59Å; N456-L530 WeakPolarHBondContact O-CA 3.11Å; L457-L530 HydrophobicContact CD2-CD2 3.86Å; I513-L530 HydrophobicContact CD1-CD2 3.81Å; I513-L530 HydrophobicContact CD1-CG 3.96Å
531	A	90.4	Very high	84.2	Confident	14 Å²	14	69.4 Å²	69.4	12%	0.116	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-77.1	128.4	175.6	0	0	0	0	0	109.5	N456 I458 F500 S529	N456-A531 HydrophobicContact CB-CB 3.86Å; N456-A531 PolarHBondContact O-N 3.33Å; I458-A531 HydrophobicContact CB-CB 4.13Å; I458-A531 HydrophobicContact CG2-CB 4.45Å; F500-A531 HydrophobicContact CD1-CB 3.94Å; F500-A531 HydrophobicContact CE1-CB 4.11Å; S529-A531 PolarHBondContact O-N 3.14Å
532	R	83.6	Confident	84.4	Confident	62 Å²	62	70.8 Å²	70.8	23%	0.234	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-84.4	136.4	174.5	-60.6	-176.7	62	-130.8	-16.3	109.4	N590	R532-N590 PolarHBondContact NE-OD1 3.06Å; R532-N590 PolarHBondContact NH1-O 3.38Å; R532-N590 PolarHBondContact NH2-O 2.75Å; R532-N590 PolarHBondContact NH2-OD1 3.24Å
533	P	80.5	Confident	85	Confident	78 Å²	78	64.1 Å²	64.1	51%	0.506	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-62	143.4	179.1	25	-33.9	0	0	0	111.1	C535 I538	P533-C535 VanDerWaalsContact C-N 3.3Å; P533-C535 PolarHBondContact O-N 3.21Å; P533-I538 WeakPolarHBondContact O-CD1 3.42Å
534	N	74.2	Confident	85.5	Confident	151 Å²	151	59.4 Å²	59.4	81%	0.807	31%	0.312	S	S	*	.			trans	-73.1	76.2	-174.9	-69.2	-42.5	0	0	0	112.2
535	C	69	Low	85.8	Confident	67 Å²	67	55.6 Å²	55.6	45%	0.453	30%	0.295	S	S	.	.			trans	-94.2	146.1	170.5	-171.8	0	0	0	0	110.9	P533 S537 I538	P533-C535 VanDerWaalsContact C-N 3.3Å; P533-C535 PolarHBondContact O-N 3.21Å; C535-S537 PolarHBondContact O-N 2.93Å; C535-S537 PolarHBondContact SG-OG 3.02Å; C535-I538 HydrophobicContact CB-CG2 4.3Å; C535-I538 WeakPolarHBondContact O-CG1 3.48Å; C535-I538 PolarHBondContact O-N 3.41Å; C535-I538 VanDerWaalsContact O-N 3.14Å
536	E	74.3	Confident	85.8	Confident	133 Å²	133	52.3 Å²	52.3	62%	0.621	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-58.1	-32.4	179.3	-156.9	63.6	-157.1	0	0	112.1	I538 K539	E536-I538 PolarHBondContact O-N 3.45Å; E536-I538 VanDerWaalsContact O-N 3.11Å; E536-K539 WeakPolarHBondContact O-CB 3.41Å; E536-K539 PolarHBondContact O-N 2.87Å; E536-K539 VanDerWaalsContact O-N 3.12Å; E536-K539 WeakPolarHBondContact OE1-CD 3.32Å; E536-K539 WeakPolarHBondContact OE1-CE 3.26Å; E536-K539 IonicContact OE1-NZ 3.15Å; E536-K539 PolarHBondContact OE1-NZ 3.05Å; E536-K539 WeakPolarHBondContact OE2-CE 3.39Å; E536-K539 IonicContact OE2-NZ 3.75Å; E536-K539 PolarHBondContact OE2-NZ 3.45Å
537	S	75.6	Confident	85.4	Confident	43 Å²	43	53 Å²	53	30%	0.301	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-68.7	-4.6	179.7	69.5	0	0	0	0	115.5	C535 H591 R592	C535-S537 PolarHBondContact O-N 2.93Å; C535-S537 PolarHBondContact SG-OG 3.02Å; S537-H591 CarbonylContact O-C 3.57Å; S537-H591 WeakPolarHBondContact O-CA 3.17Å; S537-H591 PolarHBondContact OG-ND1 3.44Å; S537-H591 VanDerWaalsContact OG-ND1 3.13Å; S537-R592 PolarHBondContact O-N 3.46Å
538	I	78.1	Confident	85.2	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.108	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-96.2	-9	174.1	88.1	-171.4	0	0	0	112.7	P533 C535 E536	P533-I538 WeakPolarHBondContact O-CD1 3.42Å; C535-I538 HydrophobicContact CB-CG2 4.3Å; C535-I538 WeakPolarHBondContact O-CG1 3.48Å; C535-I538 PolarHBondContact O-N 3.41Å; C535-I538 VanDerWaalsContact O-N 3.14Å; E536-I538 PolarHBondContact O-N 3.45Å; E536-I538 VanDerWaalsContact O-N 3.11Å
539	K	77.2	Confident	84.8	Confident	103 Å²	103	50.4 Å²	50.4	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-77.4	151.8	171.1	-57.5	-173.9	-162.5	164.5	0	109.4	E536 A541	E536-K539 WeakPolarHBondContact O-CB 3.41Å; E536-K539 PolarHBondContact O-N 2.87Å; E536-K539 VanDerWaalsContact O-N 3.12Å; E536-K539 WeakPolarHBondContact OE1-CD 3.32Å; E536-K539 WeakPolarHBondContact OE1-CE 3.26Å; E536-K539 IonicContact OE1-NZ 3.15Å; E536-K539 PolarHBondContact OE1-NZ 3.05Å; E536-K539 WeakPolarHBondContact OE2-CE 3.39Å; E536-K539 IonicContact OE2-NZ 3.75Å; E536-K539 PolarHBondContact OE2-NZ 3.45Å; K539-A541 PolarHBondContact O-N 3.32Å
540	D	79.7	Confident	84.4	Confident	85 Å²	85	53.9 Å²	53.9	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	55.1	6.5	179.3	-45.8	-32.2	0	0	0	116.3	N542 R592 F624	D540-N542 PolarHBondContact O-N 3.4Å; D540-R592 IonicContact OD2-NH1 3.24Å; D540-F624 WeakPolarHBondContact O-CD1 3.46Å; D540-F624 WeakPolarHBondContact O-CE1 3.42Å
541	A	89.5	Confident	84.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.			trans	-70.3	22.6	171.5	0	0	0	0	0	113.8	K539 R588 F589 R592	K539-A541 PolarHBondContact O-N 3.32Å; A541-R588 WeakPolarHBondContact O-CA 3.43Å; A541-F589 HydrophobicContact CB-CB 4.48Å; A541-F589 PolarHBondContact O-N 3.43Å; A541-R592 HydrophobicContact CB-CB 4.48Å
542	N	92	Very high	83.8	Confident	65 Å²	65	54.3 Å²	54.3	35%	0.348	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.2	176.3	-63.5	-35.1	0	0	0	108.9	D540 I587 R588 A625	D540-N542 PolarHBondContact O-N 3.4Å; N542-I587 CarbonylContact C-O 3.49Å; N542-R588 WeakPolarHBondContact OD1-CB 3.32Å; N542-R588 VanDerWaalsContact OD1-CD 3.29Å; N542-R588 WeakPolarHBondContact OD1-CD 3.4Å; N542-R588 WeakPolarHBondContact OD1-CG 3.26Å; N542-A625 HydrophobicContact CB-CB 3.98Å; N542-A625 PolarHBondContact O-N 3.46Å
543	L	94.1	Very high	84	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	147.4	172.6	-59	-173.5	0	0	0	111.3	I545 F561 F586 I587 F589 A595 A598 I599 V622 K623 F624	L543-I545 HydrophobicContact CB-CD1 3.99Å; L543-F561 HydrophobicContact CD1-CE1 4.38Å; L543-F586 VanDerWaalsContact O-CA 3.26Å; L543-F586 WeakPolarHBondContact O-CA 3.3Å; L543-I587 PolarHBondContact N-O 3.42Å; L543-I587 PolarHBondContact O-N 3.47Å; L543-I587 VanDerWaalsContact O-N 3.07Å; L543-F589 HydrophobicContact CD1-CD2 4.02Å; L543-F589 HydrophobicContact CD1-CE2 3.66Å; L543-F589 HydrophobicContact CG-CD2 4.34Å; L543-F589 HydrophobicContact CG-CE2 4.42Å; L543-A595 HydrophobicContact CD1-CB 4.36Å; L543-A595 HydrophobicContact CD2-CB 3.86Å; L543-A595 HydrophobicContact CG-CB 4.06Å; L543-A598 HydrophobicContact CD1-CB 3.87Å; L543-I599 HydrophobicContact CD1-CG1 4.38Å; L543-I599 HydrophobicContact CD2-CD1 3.52Å; L543-I599 HydrophobicContact CD2-CG1 3.63Å; L543-V622 HydrophobicContact CD1-CG1 3.7Å; L543-K623 CarbonylContact C-O 3.52Å; L543-K623 VanDerWaalsContact CA-O 3.31Å; L543-K623 WeakPolarHBondContact CA-O 3.2Å; L543-F624 HydrophobicContact CD2-CD1 4.12Å; L543-F624 HydrophobicContact CD2-CE1 4.49Å
544	Y	94.4	Very high	84.4	Confident	64 Å²	64	57.9 Å²	57.9	25%	0.251	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.7	164	173.4	-83.1	0	0	0	107.7	S546 V584 F586 K623	Y544-S546 WeakPolarHBondContact CE1-OG 3.46Å; Y544-V584 HydrophobicContact CD2-CG1 4.17Å; Y544-V584 HydrophobicContact CE2-CG1 3.44Å; Y544-V584 VanDerWaalsContact CE2-CG1 3.44Å; Y544-F586 HydrophobicContact CD2-CD1 4.36Å; Y544-F586 AromaticContact CD2-CE1 3.72Å; Y544-F586 HydrophobicContact CD2-CE1 3.72Å; Y544-F586 HydrophobicContact CD2-CE2 4.19Å; Y544-F586 AromaticContact CD2-CZ 3.62Å; Y544-F586 HydrophobicContact CD2-CZ 3.62Å; Y544-F586 HydrophobicContact CE2-CZ 4.16Å; Y544-K623 HydrophobicContact CD1-CD 4.28Å; Y544-K623 HydrophobicContact CD1-CG 4.1Å; Y544-K623 PolarHBondContact N-O 3.36Å; Y544-K623 PolarHBondContact O-N 3.36Å; Y544-K623 VanDerWaalsContact O-N 3.07Å
545	I	93.2	Very high	85.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.5	-179	-53.2	80.6	0	0	0	107.4	L543 L548 F561 V584 A585 I587 T621 V622	L543-I545 HydrophobicContact CB-CD1 3.99Å; I545-L548 HydrophobicContact CG2-CD1 4.1Å; I545-L548 HydrophobicContact CG2-CD2 3.71Å; I545-L548 HydrophobicContact CG2-CG 3.88Å; I545-F561 HydrophobicContact CD1-CZ 4.5Å; I545-F561 HydrophobicContact CG1-CE1 4.02Å; I545-F561 HydrophobicContact CG1-CE2 4.37Å; I545-F561 HydrophobicContact CG1-CZ 3.62Å; I545-F561 HydrophobicContact CG2-CZ 4.22Å; I545-V584 CarbonylContact O-C 3.6Å; I545-V584 VanDerWaalsContact O-CA 3.26Å; I545-V584 WeakPolarHBondContact O-CA 3.31Å; I545-A585 HydrophobicContact CB-CB 4.47Å; I545-A585 PolarHBondContact N-O 3.39Å; I545-A585 PolarHBondContact O-N 3.15Å; I545-I587 HydrophobicContact CD1-CB 3.97Å; I545-I587 HydrophobicContact CD1-CD1 3.77Å; I545-I587 HydrophobicContact CD1-CG1 3.65Å; I545-I587 HydrophobicContact CG1-CD1 4.32Å; I545-T621 CarbonylContact C-O 3.55Å; I545-T621 WeakPolarHBondContact CA-O 3.35Å; I545-V622 HydrophobicContact CG1-CG1 4.49Å; I545-V622 HydrophobicContact CG1-CG2 4.39Å; I545-V622 HydrophobicContact CG2-CG2 4.23Å
546	S	91.2	Very high	86.2	Confident	20 Å²	20	54.5 Å²	54.5	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.5	174.8	47.2	0	0	0	0	112.8	Y544 G583 T621	Y544-S546 WeakPolarHBondContact CE1-OG 3.46Å; S546-G583 CarbonylContact C-O 3.59Å; S546-G583 WeakPolarHBondContact CA-O 3.46Å; S546-T621 PolarHBondContact N-O 3.17Å; S546-T621 PolarHBondContact O-N 3.33Å; S546-T621 PolarHBondContact O-OG1 2.81Å; S546-T621 PolarHBondContact OG-OG1 3.38Å
547	G	86.2	Confident	87	Confident	15 Å²	15	48.1 Å²	48.1	16%	0.155	25%	0.245	C	C	.	.			trans	92.7	15.3	-173.3	0	0	0	0	0	113.8	G583	G547-G583 PolarHBondContact N-O 3.29Å
548	L	88.1	Confident	87.8	Confident	10 Å²	10	49 Å²	49	5%	0.052	24%	0.244	C	C	.	.			trans	-69.2	144.3	169.9	-58	179.8	0	0	0	110	I545 M552 L557 G583 A585 L607 I620	I545-L548 HydrophobicContact CG2-CD1 4.1Å; I545-L548 HydrophobicContact CG2-CD2 3.71Å; I545-L548 HydrophobicContact CG2-CG 3.88Å; L548-M552 HydrophobicContact CB-SD 4.35Å; L548-M552 HydrophobicContact CD1-SD 4.21Å; L548-M552 HydrophobicContact CD2-SD 3.85Å; L548-M552 HydrophobicContact CG-SD 4.35Å; L548-L557 HydrophobicContact CD1-CD1 3.8Å; L548-L557 HydrophobicContact CD1-CD2 4.3Å; L548-L557 HydrophobicContact CD2-CD1 4.32Å; L548-G583 PolarHBondContact N-O 3.36Å; L548-G583 VanDerWaalsContact N-O 3.14Å; L548-G583 WeakPolarHBondContact O-CA 3.49Å; L548-A585 HydrophobicContact CD1-CB 3.62Å; L548-L607 HydrophobicContact CD2-CD1 4.28Å; L548-I620 HydrophobicContact CD2-CB 4.39Å; L548-I620 HydrophobicContact CD2-CG2 3.95Å
549	P	85.1	Confident	88.4	Confident	19 Å²	19	53.4 Å²	53.4	12%	0.123	26%	0.264	C	S	.	.			trans	-68.9	152.8	173.9	29.5	-33.4	0	0	0	110.4	T551 M552 L607 Y611	P549-T551 PolarHBondContact O-N 3.18Å; P549-M552 HydrophobicContact CG-CB 4.23Å; P549-M552 PolarHBondContact O-N 2.87Å; P549-L607 HydrophobicContact CG-CD1 4.06Å; P549-Y611 WeakPolarHBondContact CB-O 3.45Å
550	K	84	Confident	89	Confident	112 Å²	112	49.9 Å²	49.9	49%	0.487	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.8	-171.5	-59.1	167.1	-166.5	134	0	113.2	I580 S581 D614	K550-I580 HydrophobicContact CB-CG2 4.22Å; K550-I580 HydrophobicContact CD-CG2 4.06Å; K550-I580 HydrophobicContact CG-CG2 4.25Å; K550-S581 WeakPolarHBondContact O-CB 3.41Å; K550-S581 PolarHBondContact O-OG 3.17Å; K550-D614 IonicContact NZ-OD1 3.24Å; K550-D614 IonicContact NZ-OD2 2.76Å; K550-D614 PolarHBondContact NZ-OD2 3.45Å
551	T	84.8	Confident	89.6	Confident	87 Å²	87	45.8 Å²	45.8	53%	0.534	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.9	176.9	39.9	0	0	0	0	114	P549 K553 Y611	P549-T551 PolarHBondContact O-N 3.18Å; T551-K553 PolarHBondContact O-N 3.39Å; T551-Y611 PolarHBondContact OG1-O 3.09Å
552	M	84.2	Confident	89.7	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.025	25%	0.251	C	S	.	.			trans	-63.1	131.9	-168	-159.7	-177.3	-161	0	0	112.3	L548 P549 E556 L557 L560 I572 L607	L548-M552 HydrophobicContact CB-SD 4.35Å; L548-M552 HydrophobicContact CD1-SD 4.21Å; L548-M552 HydrophobicContact CD2-SD 3.85Å; L548-M552 HydrophobicContact CG-SD 4.35Å; P549-M552 HydrophobicContact CG-CB 4.23Å; P549-M552 PolarHBondContact O-N 2.87Å; M552-E556 WeakPolarHBondContact CA-OE2 3.15Å; M552-E556 HydrophobicContact CE-CB 4.14Å; M552-E556 HydrophobicContact CG-CB 4.18Å; M552-E556 WeakPolarHBondContact CG-OE2 3.15Å; M552-L557 HydrophobicContact CE-CB 4.24Å; M552-L557 HydrophobicContact CE-CD1 4.31Å; M552-L557 HydrophobicContact SD-CB 4.3Å; M552-L557 HydrophobicContact SD-CD1 4.16Å; M552-L560 HydrophobicContact CE-CD2 4.04Å; M552-I572 WeakPolarHBondContact O-CD1 3.36Å; M552-L607 HydrophobicContact CE-CD2 4.4Å; M552-L607 HydrophobicContact SD-CD1 4.48Å
553	K	89	Confident	89.7	Confident	134 Å²	134	52.3 Å²	52.3	58%	0.583	26%	0.264	S	S	*	.			trans	-93.2	160.6	177	-62.2	176.6	-175.5	166.2	0	111.5	T551 N555 E556 L557	T551-K553 PolarHBondContact O-N 3.39Å; K553-N555 VanDerWaalsContact C-N 3.27Å; K553-N555 PolarHBondContact O-N 3.37Å; K553-E556 HydrophobicContact CB-CG 4.47Å; K553-E556 WeakPolarHBondContact CB-OE1 3.32Å; K553-E556 WeakPolarHBondContact CD-OE1 3.48Å; K553-E556 WeakPolarHBondContact CG-OE1 3.49Å; K553-E556 PolarHBondContact N-OE2 2.91Å; K553-E556 PolarHBondContact O-N 3.44Å; K553-L557 PolarHBondContact O-N 3.28Å; K553-L557 VanDerWaalsContact O-N 3.16Å
554	Q	88.8	Confident	89.6	Confident	82 Å²	82	54.4 Å²	54.4	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-34.8	178.2	-179.8	172	-31.9	0	0	112.6	L557 E558 A570	Q554-L557 PolarHBondContact O-N 3.47Å; Q554-E558 HydrophobicContact CG-CG 4.3Å; Q554-E558 PolarHBondContact NE2-OE1 2.92Å; Q554-E558 WeakPolarHBondContact O-CG 3.48Å; Q554-E558 PolarHBondContact O-N 3.49Å; Q554-A570 HydrophobicContact CG-CB 4.31Å; Q554-A570 PolarHBondContact NE2-O 3.07Å
555	N	90.4	Very high	89.5	Confident	105 Å²	105	52.2 Å²	52.2	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-67.5	-45	-179.2	-160.2	9.8	0	0	0	111.8	K553 L557 E558 Q559	K553-N555 VanDerWaalsContact C-N 3.27Å; K553-N555 PolarHBondContact O-N 3.37Å; N555-L557 VanDerWaalsContact C-N 3.28Å; N555-L557 PolarHBondContact O-N 2.99Å; N555-E558 PolarHBondContact O-N 2.74Å; N555-Q559 WeakPolarHBondContact O-CB 3.46Å; N555-Q559 VanDerWaalsContact O-CG 3.3Å; N555-Q559 WeakPolarHBondContact O-CG 3.43Å; N555-Q559 PolarHBondContact O-N 3.3Å
556	E	89.5	Confident	89.4	Confident	41 Å²	41	60.6 Å²	60.6	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-40.6	173.3	-64.2	148.3	-153	0	0	111.5	M552 K553 L560 Y611	M552-E556 WeakPolarHBondContact CA-OE2 3.15Å; M552-E556 HydrophobicContact CE-CB 4.14Å; M552-E556 HydrophobicContact CG-CB 4.18Å; M552-E556 WeakPolarHBondContact CG-OE2 3.15Å; K553-E556 HydrophobicContact CB-CG 4.47Å; K553-E556 WeakPolarHBondContact CB-OE1 3.32Å; K553-E556 WeakPolarHBondContact CD-OE1 3.48Å; K553-E556 WeakPolarHBondContact CG-OE1 3.49Å; K553-E556 PolarHBondContact N-OE2 2.91Å; K553-E556 PolarHBondContact O-N 3.44Å; E556-L560 WeakPolarHBondContact O-CB 3.49Å; E556-L560 PolarHBondContact O-N 3.47Å; E556-Y611 HydrophobicContact CG-CE1 4.2Å
557	L	91.1	Very high	89.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-40.3	176.5	-178	69.6	0	0	0	112.3	L548 M552 K553 Q554 N555 F561 A570 I572 A585 I587	L548-L557 HydrophobicContact CD1-CD1 3.8Å; L548-L557 HydrophobicContact CD1-CD2 4.3Å; L548-L557 HydrophobicContact CD2-CD1 4.32Å; M552-L557 HydrophobicContact CE-CB 4.24Å; M552-L557 HydrophobicContact CE-CD1 4.31Å; M552-L557 HydrophobicContact SD-CB 4.3Å; M552-L557 HydrophobicContact SD-CD1 4.16Å; K553-L557 PolarHBondContact O-N 3.28Å; K553-L557 VanDerWaalsContact O-N 3.16Å; Q554-L557 PolarHBondContact O-N 3.47Å; N555-L557 VanDerWaalsContact C-N 3.28Å; N555-L557 PolarHBondContact O-N 2.99Å; L557-F561 HydrophobicContact CD1-CD2 3.79Å; L557-F561 HydrophobicContact CD1-CE2 3.63Å; L557-F561 HydrophobicContact CG-CD2 4.48Å; L557-F561 WeakPolarHBondContact O-CD2 3.46Å; L557-F561 PolarHBondContact O-N 2.87Å; L557-A570 HydrophobicContact CD2-CB 4.33Å; L557-I572 HydrophobicContact CD2-CD1 4.34Å; L557-I572 HydrophobicContact CD2-CG1 3.8Å; L557-A585 HydrophobicContact CD2-CB 3.38Å; L557-I587 HydrophobicContact CD1-CD1 3.98Å; L557-I587 HydrophobicContact CD2-CD1 4.18Å; L557-I587 HydrophobicContact CD2-CG1 4.31Å; L557-I587 HydrophobicContact CG-CD1 3.87Å; L557-I587 HydrophobicContact CG-CG1 4.5Å
558	E	93.3	Very high	89.6	Confident	61 Å²	61	63.1 Å²	63.1	29%	0.285	31%	0.309	S	S	.	.	H	α-helix	trans	-67.2	-42.7	175.9	-76.2	-178.6	-174.3	0	0	111	Q554 N555 F561 S562 I567 A570	Q554-E558 HydrophobicContact CG-CG 4.3Å; Q554-E558 PolarHBondContact NE2-OE1 2.92Å; Q554-E558 WeakPolarHBondContact O-CG 3.48Å; Q554-E558 PolarHBondContact O-N 3.49Å; N555-E558 PolarHBondContact O-N 2.74Å; E558-F561 PolarHBondContact O-N 3.32Å; E558-S562 WeakPolarHBondContact O-CB 3.45Å; E558-S562 PolarHBondContact O-N 2.77Å; E558-S562 PolarHBondContact O-OG 2.78Å; E558-I567 HydrophobicContact CB-CD1 4.22Å; E558-I567 HydrophobicContact CG-CD1 4.25Å; E558-I567 WeakPolarHBondContact O-CD1 3.15Å; E558-A570 HydrophobicContact CG-CB 3.39Å; E558-A570 VanDerWaalsContact OE1-CB 3.29Å; E558-A570 WeakPolarHBondContact OE1-CB 3.28Å; E558-A570 PolarHBondContact OE1-N 3.11Å
559	Q	90.9	Very high	89.7	Confident	113 Å²	113	65.4 Å²	65.4	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-56.2	-56.2	173.6	-73.4	169.2	-15.3	0	0	111.4	N555 F561 S562	N555-Q559 WeakPolarHBondContact O-CB 3.46Å; N555-Q559 VanDerWaalsContact O-CG 3.3Å; N555-Q559 WeakPolarHBondContact O-CG 3.43Å; N555-Q559 PolarHBondContact O-N 3.3Å; Q559-F561 VanDerWaalsContact C-N 3.25Å; Q559-F561 PolarHBondContact O-N 3.31Å; Q559-S562 PolarHBondContact O-N 3.07Å; Q559-S562 VanDerWaalsContact O-N 3.17Å; Q559-S562 PolarHBondContact O-OG 2.85Å
560	L	89.4	Confident	90.1	Very high	29 Å²	29	64.8 Å²	64.8	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-33.5	-178.2	177.4	64.3	0	0	0	113.8	M552 E556 Q563 Y564 L602 L607 I620	M552-L560 HydrophobicContact CE-CD2 4.04Å; E556-L560 WeakPolarHBondContact O-CB 3.49Å; E556-L560 PolarHBondContact O-N 3.47Å; L560-Q563 PolarHBondContact O-OE1 2.75Å; L560-Y564 WeakPolarHBondContact O-CE2 3.35Å; L560-L602 HydrophobicContact CD1-CD2 4.24Å; L560-L602 HydrophobicContact CG-CD1 4.44Å; L560-L607 HydrophobicContact CD2-CD2 3.64Å; L560-I620 HydrophobicContact CD2-CD1 4.43Å
561	F	91.8	Very high	90.4	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-93.6	-19.2	-179.8	-80.6	-103.3	0	0	0	113.6	L543 I545 L557 E558 Q559 Q563 Y564 I567 I587 F589 A598 L602 V622	L543-F561 HydrophobicContact CD1-CE1 4.38Å; I545-F561 HydrophobicContact CD1-CZ 4.5Å; I545-F561 HydrophobicContact CG1-CE1 4.02Å; I545-F561 HydrophobicContact CG1-CE2 4.37Å; I545-F561 HydrophobicContact CG1-CZ 3.62Å; I545-F561 HydrophobicContact CG2-CZ 4.22Å; L557-F561 HydrophobicContact CD1-CD2 3.79Å; L557-F561 HydrophobicContact CD1-CE2 3.63Å; L557-F561 HydrophobicContact CG-CD2 4.48Å; L557-F561 WeakPolarHBondContact O-CD2 3.46Å; L557-F561 PolarHBondContact O-N 2.87Å; E558-F561 PolarHBondContact O-N 3.32Å; Q559-F561 VanDerWaalsContact C-N 3.25Å; Q559-F561 PolarHBondContact O-N 3.31Å; F561-Q563 VanDerWaalsContact C-N 3.28Å; F561-Q563 PolarHBondContact O-N 2.76Å; F561-Y564 PolarHBondContact O-N 3.13Å; F561-Y564 VanDerWaalsContact O-N 3.16Å; F561-I567 HydrophobicContact CB-CD1 3.78Å; F561-I587 HydrophobicContact CB-CD1 3.7Å; F561-I587 HydrophobicContact CD1-CD1 3.5Å; F561-I587 HydrophobicContact CD2-CD1 3.42Å; F561-I587 VanDerWaalsContact CD2-CD1 3.42Å; F561-I587 HydrophobicContact CE1-CD1 3.9Å; F561-I587 HydrophobicContact CE2-CD1 3.83Å; F561-I587 HydrophobicContact CG-CD1 3.24Å; F561-I587 HydrophobicContact CZ-CD1 4.05Å; F561-F589 HydrophobicContact CB-CZ 4.08Å; F561-F589 HydrophobicContact CD1-CE2 4.15Å; F561-F589 HydrophobicContact CD1-CZ 4.09Å; F561-F589 WeakPolarHBondContact O-CZ 3.47Å; F561-A598 HydrophobicContact CD1-CB 4.27Å; F561-L602 HydrophobicContact CD1-CD1 3.61Å; F561-L602 HydrophobicContact CD2-CD1 3.89Å; F561-L602 HydrophobicContact CE1-CD1 3.41Å; F561-L602 VanDerWaalsContact CE1-CD1 3.41Å; F561-L602 HydrophobicContact CE2-CD1 3.69Å; F561-L602 HydrophobicContact CG-CD1 3.86Å; F561-L602 HydrophobicContact CZ-CB 4.48Å; F561-L602 HydrophobicContact CZ-CD1 3.45Å; F561-L602 VanDerWaalsContact CZ-CD1 3.45Å; F561-V622 HydrophobicContact CE1-CG1 4.05Å; F561-V622 HydrophobicContact CE1-CG2 4.2Å; F561-V622 HydrophobicContact CZ-CG2 3.89Å
562	S	93	Very high	90.8	Very high	69 Å²	69	63.2 Å²	63.2	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-32.3	-177.9	67.1	0	0	0	0	113.5	E558 Q559 Y564 G565	E558-S562 WeakPolarHBondContact O-CB 3.45Å; E558-S562 PolarHBondContact O-N 2.77Å; E558-S562 PolarHBondContact O-OG 2.78Å; Q559-S562 PolarHBondContact O-N 3.07Å; Q559-S562 VanDerWaalsContact O-N 3.17Å; Q559-S562 PolarHBondContact O-OG 2.85Å; S562-Y564 PolarHBondContact O-N 3.1Å; S562-Y564 VanDerWaalsContact O-N 3.1Å; S562-G565 PolarHBondContact O-N 3.16Å; S562-G565 VanDerWaalsContact O-N 3.13Å; S562-G565 VanDerWaalsContact O-O 3.1Å
563	Q	91.8	Very high	91.1	Very high	132 Å²	132	65 Å²	65	62%	0.617	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.8	177.7	67.9	-177.2	84.1	0	0	114	L560 F561	L560-Q563 PolarHBondContact O-OE1 2.75Å; F561-Q563 VanDerWaalsContact C-N 3.28Å; F561-Q563 PolarHBondContact O-N 2.76Å
564	Y	92.4	Very high	91.1	Very high	45 Å²	45	63.6 Å²	63.6	18%	0.176	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-8.2	179.2	-58.5	-72.7	0	0	0	113.7	L560 F561 S562 A598 Q601 L602	L560-Y564 WeakPolarHBondContact O-CE2 3.35Å; F561-Y564 PolarHBondContact O-N 3.13Å; F561-Y564 VanDerWaalsContact O-N 3.16Å; S562-Y564 PolarHBondContact O-N 3.1Å; S562-Y564 VanDerWaalsContact O-N 3.1Å; Y564-A598 HydrophobicContact CD2-CB 4.42Å; Y564-A598 HydrophobicContact CG-CB 4.15Å; Y564-Q601 HydrophobicContact CD1-CB 4.32Å; Y564-Q601 HydrophobicContact CE1-CB 3.5Å; Y564-Q601 HydrophobicContact CE1-CG 3.62Å; Y564-Q601 VanDerWaalsContact OH-CG 3.26Å; Y564-Q601 WeakPolarHBondContact OH-CG 3.41Å; Y564-L602 HydrophobicContact CD2-CD1 3.83Å; Y564-L602 HydrophobicContact CD2-CG 4.24Å; Y564-L602 HydrophobicContact CE2-CD1 3.47Å; Y564-L602 VanDerWaalsContact CE2-CD1 3.47Å; Y564-L602 HydrophobicContact CE2-CD2 3.85Å; Y564-L602 HydrophobicContact CE2-CG 3.54Å
565	G	90.9	Very high	91.1	Very high	18 Å²	18	62 Å²	62	19%	0.186	30%	0.296	C	S	.	.	S	Bend	trans	151.5	176.1	178.3	0	0	0	0	0	113.9	S562 I567 F589 E594	S562-G565 PolarHBondContact O-N 3.16Å; S562-G565 VanDerWaalsContact O-N 3.13Å; S562-G565 VanDerWaalsContact O-O 3.1Å; G565-I567 PolarHBondContact O-N 3.28Å; G565-F589 WeakPolarHBondContact O-CE1 3.44Å; G565-E594 WeakPolarHBondContact CA-OE1 3.33Å
566	R	91.9	Very high	90.6	Very high	176 Å²	176	65 Å²	65	66%	0.664	31%	0.312	S	S	*	.			trans	-75.7	109.2	-172.5	-176.5	178.8	-174	179.1	4.8	111.5	F589 N590 E594	R566-F589 CarbonylContact O-C 3.57Å; R566-N590 HydrophobicContact CB-CB 3.81Å; R566-N590 HydrophobicContact CG-CB 4.29Å; R566-N590 VanDerWaalsContact O-CB 3.23Å; R566-N590 WeakPolarHBondContact O-CB 3.45Å; R566-N590 PolarHBondContact O-N 2.86Å; R566-E594 PolarHBondContact N-OE1 2.9Å
567	I	92.9	Very high	90.4	Very high	36 Å²	36	72.3 Å²	72.3	19%	0.185	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.7	172.5	-59.9	176.2	0	0	0	110.3	E558 F561 G565 I587 F589	E558-I567 HydrophobicContact CB-CD1 4.22Å; E558-I567 HydrophobicContact CG-CD1 4.25Å; E558-I567 WeakPolarHBondContact O-CD1 3.15Å; F561-I567 HydrophobicContact CB-CD1 3.78Å; G565-I567 PolarHBondContact O-N 3.28Å; I567-I587 HydrophobicContact CD1-CG2 4.2Å; I567-I587 HydrophobicContact CG1-CG2 4.06Å; I567-I587 HydrophobicContact CG2-CG2 4.14Å; I567-F589 HydrophobicContact CG1-CE1 4.11Å; I567-F589 HydrophobicContact CG1-CZ 4.43Å
568	I	89.5	Confident	90.1	Very high	52 Å²	52	76.6 Å²	76.6	27%	0.267	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-35.6	174.6	-58.8	-61.5	0	0	0	110.9	R588 N590	I568-R588 HydrophobicContact CB-CB 4.45Å; I568-R588 HydrophobicContact CB-CG 4.2Å; I568-R588 PolarHBondContact N-O 3.32Å; I568-N590 HydrophobicContact CD1-CB 3.95Å; I568-N590 HydrophobicContact CG1-CB 4.17Å
569	T	89.7	Confident	89.6	Confident	57 Å²	57	76.2 Å²	76.2	35%	0.35	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	128.1	169.9	49.9	0	0	0	0	109.6	I587 R588	T569-I587 CarbonylContact O-C 3.52Å; T569-I587 WeakPolarHBondContact O-CA 3.38Å; T569-R588 PolarHBondContact N-O 3.42Å; T569-R588 PolarHBondContact O-N 2.8Å; T569-R588 WeakPolarHBondContact OG1-CB 3.29Å
570	A	92.6	Very high	89.3	Confident	6 Å²	6	75.1 Å²	75.1	5%	0.05	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	164	150.9	0	0	0	0	0	110.6	Q554 L557 E558 F586 I587	Q554-A570 HydrophobicContact CG-CB 4.31Å; Q554-A570 PolarHBondContact NE2-O 3.07Å; L557-A570 HydrophobicContact CD2-CB 4.33Å; E558-A570 HydrophobicContact CG-CB 3.39Å; E558-A570 VanDerWaalsContact OE1-CB 3.29Å; E558-A570 WeakPolarHBondContact OE1-CB 3.28Å; E558-A570 PolarHBondContact OE1-N 3.11Å; A570-F586 CarbonylContact C-O 3.55Å; A570-F586 WeakPolarHBondContact CA-O 3.47Å; A570-I587 HydrophobicContact CB-CG1 3.89Å
571	R	91.2	Very high	89.2	Confident	160 Å²	160	74.4 Å²	74.4	60%	0.604	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.8	124.6	169	177.6	173.9	176.4	178.4	1.1	110.8	A585 F586	R571-A585 CarbonylContact O-C 3.54Å; R571-A585 VanDerWaalsContact O-CA 3.26Å; R571-A585 WeakPolarHBondContact O-CA 3.48Å; R571-A585 WeakPolarHBondContact O-CB 3.39Å; R571-F586 PolarHBondContact N-O 2.79Å; R571-F586 PolarHBondContact O-N 2.88Å
572	I	92.5	Very high	89.1	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.031	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.2	167.7	-61.5	-179	0	0	0	109.8	M552 L557 Y574 A585	M552-I572 WeakPolarHBondContact O-CD1 3.36Å; L557-I572 HydrophobicContact CD2-CD1 4.34Å; L557-I572 HydrophobicContact CD2-CG1 3.8Å; I572-Y574 HydrophobicContact CB-CE2 3.91Å; I572-Y574 HydrophobicContact CG2-CE1 4.24Å; I572-Y574 HydrophobicContact CG2-CE2 3.97Å; I572-A585 HydrophobicContact CG1-CB 4.12Å
573	L	90.8	Very high	88.9	Confident	44 Å²	44	79.4 Å²	79.4	23%	0.23	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113	171.8	-96	63.5	0	0	0	110	R582 V584 F586	L573-R582 VanDerWaalsContact O-CB 3.31Å; L573-R582 WeakPolarHBondContact O-CB 3.19Å; L573-R582 WeakPolarHBondContact O-CG 3.41Å; L573-R582 PolarHBondContact O-N 3.3Å; L573-V584 HydrophobicContact CD2-CG1 4.31Å; L573-V584 PolarHBondContact N-O 2.85Å; L573-F586 HydrophobicContact CD1-CD2 3.52Å; L573-F586 HydrophobicContact CD1-CE2 3.63Å; L573-F586 HydrophobicContact CD2-CE2 3.88Å; L573-F586 HydrophobicContact CG-CE2 4.42Å
574	Y	89.9	Confident	88.9	Confident	104 Å²	104	74 Å²	74	41%	0.408	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	152.8	166.9	-56.7	-86.1	0	0	0	109.8	I572 G579 I580 S581	I572-Y574 HydrophobicContact CB-CE2 3.91Å; I572-Y574 HydrophobicContact CG2-CE1 4.24Å; I572-Y574 HydrophobicContact CG2-CE2 3.97Å; Y574-G579 WeakPolarHBondContact CD1-O 3.47Å; Y574-I580 WeakPolarHBondContact CA-O 3.24Å; Y574-S581 WeakPolarHBondContact CE1-OG 3.29Å
575	D	87.1	Confident	89	Confident	47 Å²	47	71.9 Å²	71.9	25%	0.251	36%	0.356	S	S	.	.			trans	-80.9	126.1	169.5	167.8	50.9	0	0	0	110.3	K577 T578 G579 I580 R582	D575-K577 PolarHBondContact O-N 2.71Å; D575-K577 VanDerWaalsContact O-N 3.07Å; D575-K577 WeakPolarHBondContact OD2-CB 3.35Å; D575-K577 PolarHBondContact OD2-N 3.4Å; D575-T578 WeakPolarHBondContact CB-OG1 3.38Å; D575-T578 PolarHBondContact O-N 3.5Å; D575-T578 WeakPolarHBondContact OD2-CB 3.36Å; D575-T578 WeakPolarHBondContact OD2-CG2 3.23Å; D575-T578 PolarHBondContact OD2-N 3.17Å; D575-T578 PolarHBondContact OD2-OG1 2.84Å; D575-G579 WeakPolarHBondContact O-CA 3.25Å; D575-G579 PolarHBondContact O-N 3.19Å; D575-I580 PolarHBondContact N-O 3.24Å; D575-R582 HydrophobicContact CB-CG 3.94Å
576	N	81.5	Confident	89.2	Confident	168 Å²	168	74.8 Å²	74.8	90%	0.898	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.4	-175.5	-67.8	3.3	0	0	0	113.9
577	K	83.8	Confident	89.3	Confident	196 Å²	196	66.5 Å²	66.5	85%	0.852	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-42.3	178.8	-61.8	-177.5	178	-176.6	0	112.9	D575	D575-K577 PolarHBondContact O-N 2.71Å; D575-K577 VanDerWaalsContact O-N 3.07Å; D575-K577 WeakPolarHBondContact OD2-CB 3.35Å; D575-K577 PolarHBondContact OD2-N 3.4Å
578	T	85.8	Confident	89.2	Confident	89 Å²	89	69 Å²	69	55%	0.546	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-16.6	-174.3	56.5	0	0	0	0	114.1	D575 I580	D575-T578 WeakPolarHBondContact CB-OG1 3.38Å; D575-T578 PolarHBondContact O-N 3.5Å; D575-T578 WeakPolarHBondContact OD2-CB 3.36Å; D575-T578 WeakPolarHBondContact OD2-CG2 3.23Å; D575-T578 PolarHBondContact OD2-N 3.17Å; D575-T578 PolarHBondContact OD2-OG1 2.84Å; T578-I580 PolarHBondContact O-N 2.86Å; T578-I580 PolarHBondContact OG1-N 2.88Å
579	G	83.3	Confident	89.4	Confident	54 Å²	54	66.5 Å²	66.5	56%	0.557	33%	0.327	S	S	*	.			trans	74.1	-7.1	-171.1	0	0	0	0	0	114.3	Y574 D575	Y574-G579 WeakPolarHBondContact CD1-O 3.47Å; D575-G579 WeakPolarHBondContact O-CA 3.25Å; D575-G579 PolarHBondContact O-N 3.19Å
580	I	84.2	Confident	89.3	Confident	90 Å²	90	65 Å²	65	46%	0.462	32%	0.317	S	S	.	.			trans	-77.2	139.9	-175	-58.6	171.7	0	0	0	110.3	K550 Y574 D575 T578 R582	K550-I580 HydrophobicContact CB-CG2 4.22Å; K550-I580 HydrophobicContact CD-CG2 4.06Å; K550-I580 HydrophobicContact CG-CG2 4.25Å; Y574-I580 WeakPolarHBondContact CA-O 3.24Å; D575-I580 PolarHBondContact N-O 3.24Å; T578-I580 PolarHBondContact O-N 2.86Å; T578-I580 PolarHBondContact OG1-N 2.88Å; I580-R582 PolarHBondContact O-N 3.34Å
581	S	87.6	Confident	89.2	Confident	13 Å²	13	67 Å²	67	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	128.2	172.1	-49.7	0	0	0	0	111.1	K550 Y574 G583	K550-S581 WeakPolarHBondContact O-CB 3.41Å; K550-S581 PolarHBondContact O-OG 3.17Å; Y574-S581 WeakPolarHBondContact CE1-OG 3.29Å; S581-G583 PolarHBondContact O-N 3.16Å
582	R	89	Confident	89.2	Confident	164 Å²	164	63.6 Å²	63.6	62%	0.619	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	8.6	-179.4	-63.4	-175.3	61.7	177.4	-0.9	114.3	L573 D575 I580 V584	L573-R582 VanDerWaalsContact O-CB 3.31Å; L573-R582 WeakPolarHBondContact O-CB 3.19Å; L573-R582 WeakPolarHBondContact O-CG 3.41Å; L573-R582 PolarHBondContact O-N 3.3Å; D575-R582 HydrophobicContact CB-CG 3.94Å; I580-R582 PolarHBondContact O-N 3.34Å; R582-V584 PolarHBondContact O-N 3.02Å
583	G	88.3	Confident	89.2	Confident	11 Å²	11	69.5 Å²	69.5	11%	0.113	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.1	27	-170.3	0	0	0	0	0	113.7	S546 G547 L548 S581	S546-G583 CarbonylContact C-O 3.59Å; S546-G583 WeakPolarHBondContact CA-O 3.46Å; G547-G583 PolarHBondContact N-O 3.29Å; L548-G583 PolarHBondContact N-O 3.36Å; L548-G583 VanDerWaalsContact N-O 3.14Å; L548-G583 WeakPolarHBondContact O-CA 3.49Å; S581-G583 PolarHBondContact O-N 3.16Å
584	V	92.6	Very high	89.3	Confident	18 Å²	18	67.9 Å²	67.9	11%	0.109	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.9	-173.9	172	0	0	0	0	109.9	Y544 I545 L573 R582	Y544-V584 HydrophobicContact CD2-CG1 4.17Å; Y544-V584 HydrophobicContact CE2-CG1 3.44Å; Y544-V584 VanDerWaalsContact CE2-CG1 3.44Å; I545-V584 CarbonylContact O-C 3.6Å; I545-V584 VanDerWaalsContact O-CA 3.26Å; I545-V584 WeakPolarHBondContact O-CA 3.31Å; L573-V584 HydrophobicContact CD2-CG1 4.31Å; L573-V584 PolarHBondContact N-O 2.85Å; R582-V584 PolarHBondContact O-N 3.02Å
585	A	93.7	Very high	89.4	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	165.7	173.7	0	0	0	0	0	112.3	I545 L548 L557 R571 I572	I545-A585 HydrophobicContact CB-CB 4.47Å; I545-A585 PolarHBondContact N-O 3.39Å; I545-A585 PolarHBondContact O-N 3.15Å; L548-A585 HydrophobicContact CD1-CB 3.62Å; L557-A585 HydrophobicContact CD2-CB 3.38Å; R571-A585 CarbonylContact O-C 3.54Å; R571-A585 VanDerWaalsContact O-CA 3.26Å; R571-A585 WeakPolarHBondContact O-CA 3.48Å; R571-A585 WeakPolarHBondContact O-CB 3.39Å; I572-A585 HydrophobicContact CG1-CB 4.12Å
586	F	94.4	Very high	89.7	Confident	80 Å²	80	63.7 Å²	63.7	35%	0.351	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.9	166.9	-66.5	-99.4	0	0	0	109.7	L543 Y544 A570 R571 L573 A625	L543-F586 VanDerWaalsContact O-CA 3.26Å; L543-F586 WeakPolarHBondContact O-CA 3.3Å; Y544-F586 HydrophobicContact CD2-CD1 4.36Å; Y544-F586 AromaticContact CD2-CE1 3.72Å; Y544-F586 HydrophobicContact CD2-CE1 3.72Å; Y544-F586 HydrophobicContact CD2-CE2 4.19Å; Y544-F586 AromaticContact CD2-CZ 3.62Å; Y544-F586 HydrophobicContact CD2-CZ 3.62Å; Y544-F586 HydrophobicContact CE2-CZ 4.16Å; A570-F586 CarbonylContact C-O 3.55Å; A570-F586 WeakPolarHBondContact CA-O 3.47Å; R571-F586 PolarHBondContact N-O 2.79Å; R571-F586 PolarHBondContact O-N 2.88Å; L573-F586 HydrophobicContact CD1-CD2 3.52Å; L573-F586 HydrophobicContact CD1-CE2 3.63Å; L573-F586 HydrophobicContact CD2-CE2 3.88Å; L573-F586 HydrophobicContact CG-CE2 4.42Å; F586-A625 HydrophobicContact CD1-CB 3.82Å; F586-A625 HydrophobicContact CE1-CB 3.87Å
587	I	94.2	Very high	90.3	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.7	175.3	-62.7	173.6	0	0	0	108.3	N542 L543 I545 L557 F561 I567 T569 A570 F589	N542-I587 CarbonylContact C-O 3.49Å; L543-I587 PolarHBondContact N-O 3.42Å; L543-I587 PolarHBondContact O-N 3.47Å; L543-I587 VanDerWaalsContact O-N 3.07Å; I545-I587 HydrophobicContact CD1-CB 3.97Å; I545-I587 HydrophobicContact CD1-CD1 3.77Å; I545-I587 HydrophobicContact CD1-CG1 3.65Å; I545-I587 HydrophobicContact CG1-CD1 4.32Å; L557-I587 HydrophobicContact CD1-CD1 3.98Å; L557-I587 HydrophobicContact CD2-CD1 4.18Å; L557-I587 HydrophobicContact CD2-CG1 4.31Å; L557-I587 HydrophobicContact CG-CD1 3.87Å; L557-I587 HydrophobicContact CG-CG1 4.5Å; F561-I587 HydrophobicContact CB-CD1 3.7Å; F561-I587 HydrophobicContact CD1-CD1 3.5Å; F561-I587 HydrophobicContact CD2-CD1 3.42Å; F561-I587 VanDerWaalsContact CD2-CD1 3.42Å; F561-I587 HydrophobicContact CE1-CD1 3.9Å; F561-I587 HydrophobicContact CE2-CD1 3.83Å; F561-I587 HydrophobicContact CG-CD1 3.24Å; F561-I587 HydrophobicContact CZ-CD1 4.05Å; I567-I587 HydrophobicContact CD1-CG2 4.2Å; I567-I587 HydrophobicContact CG1-CG2 4.06Å; I567-I587 HydrophobicContact CG2-CG2 4.14Å; T569-I587 CarbonylContact O-C 3.52Å; T569-I587 WeakPolarHBondContact O-CA 3.38Å; A570-I587 HydrophobicContact CB-CG1 3.89Å; I587-F589 HydrophobicContact CG2-CD2 4.07Å; I587-F589 HydrophobicContact CG2-CE2 3.76Å; I587-F589 HydrophobicContact CG2-CZ 4.28Å
588	R	92.1	Very high	90.8	Very high	89 Å²	89	50.4 Å²	50.4	34%	0.336	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.5	172.9	-177.9	172.9	-172.5	-169	2.9	109.2	A541 N542 I568 T569	A541-R588 WeakPolarHBondContact O-CA 3.43Å; N542-R588 WeakPolarHBondContact OD1-CB 3.32Å; N542-R588 VanDerWaalsContact OD1-CD 3.29Å; N542-R588 WeakPolarHBondContact OD1-CD 3.4Å; N542-R588 WeakPolarHBondContact OD1-CG 3.26Å; I568-R588 HydrophobicContact CB-CB 4.45Å; I568-R588 HydrophobicContact CB-CG 4.2Å; I568-R588 PolarHBondContact N-O 3.32Å; T569-R588 PolarHBondContact N-O 3.42Å; T569-R588 PolarHBondContact O-N 2.8Å; T569-R588 WeakPolarHBondContact OG1-CB 3.29Å
589	F	93.1	Very high	91.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	167.7	172.4	-80.4	-83.5	0	0	0	112	A541 L543 F561 G565 R566 I567 I587 E594 A595 A598	A541-F589 HydrophobicContact CB-CB 4.48Å; A541-F589 PolarHBondContact O-N 3.43Å; L543-F589 HydrophobicContact CD1-CD2 4.02Å; L543-F589 HydrophobicContact CD1-CE2 3.66Å; L543-F589 HydrophobicContact CG-CD2 4.34Å; L543-F589 HydrophobicContact CG-CE2 4.42Å; F561-F589 HydrophobicContact CB-CZ 4.08Å; F561-F589 HydrophobicContact CD1-CE2 4.15Å; F561-F589 HydrophobicContact CD1-CZ 4.09Å; F561-F589 WeakPolarHBondContact O-CZ 3.47Å; G565-F589 WeakPolarHBondContact O-CE1 3.44Å; R566-F589 CarbonylContact O-C 3.57Å; I567-F589 HydrophobicContact CG1-CE1 4.11Å; I567-F589 HydrophobicContact CG1-CZ 4.43Å; I587-F589 HydrophobicContact CG2-CD2 4.07Å; I587-F589 HydrophobicContact CG2-CE2 3.76Å; I587-F589 HydrophobicContact CG2-CZ 4.28Å; F589-E594 HydrophobicContact CB-CB 4.02Å; F589-E594 HydrophobicContact CD1-CB 3.63Å; F589-E594 HydrophobicContact CE1-CB 4.35Å; F589-E594 HydrophobicContact CG-CB 3.95Å; F589-A595 HydrophobicContact CB-CB 4.25Å; F589-A595 HydrophobicContact CD2-CB 3.96Å; F589-A595 HydrophobicContact CG-CB 4.37Å; F589-A598 HydrophobicContact CE2-CB 3.78Å; F589-A598 HydrophobicContact CZ-CB 3.82Å
590	N	88.4	Confident	91.5	Very high	26 Å²	26	52.3 Å²	52.3	14%	0.139	24%	0.235	C	C	.	.	S	Bend	trans	-71.4	-43.3	176.5	175	53.2	0	0	0	108.9	R532 R566 I568 E594	R532-N590 PolarHBondContact NE-OD1 3.06Å; R532-N590 PolarHBondContact NH1-O 3.38Å; R532-N590 PolarHBondContact NH2-O 2.75Å; R532-N590 PolarHBondContact NH2-OD1 3.24Å; R566-N590 HydrophobicContact CB-CB 3.81Å; R566-N590 HydrophobicContact CG-CB 4.29Å; R566-N590 VanDerWaalsContact O-CB 3.23Å; R566-N590 WeakPolarHBondContact O-CB 3.45Å; R566-N590 PolarHBondContact O-N 2.86Å; I568-N590 HydrophobicContact CD1-CB 3.95Å; I568-N590 HydrophobicContact CG1-CB 4.17Å; N590-E594 WeakPolarHBondContact CA-OE2 3.45Å; N590-E594 VanDerWaalsContact CB-OE2 3.25Å; N590-E594 WeakPolarHBondContact CB-OE2 3.34Å; N590-E594 PolarHBondContact N-OE2 2.89Å
591	H	89.9	Confident	91.8	Very high	47 Å²	47	54 Å²	54	22%	0.218	24%	0.241	C	C	.	.	S	Bend	trans	-129.8	155.9	175.6	-62.4	-70.2	0	0	0	113.3	S537 Y593 E594 A595	S537-H591 CarbonylContact O-C 3.57Å; S537-H591 WeakPolarHBondContact O-CA 3.17Å; S537-H591 PolarHBondContact OG-ND1 3.44Å; S537-H591 VanDerWaalsContact OG-ND1 3.13Å; H591-Y593 VanDerWaalsContact C-N 3.31Å; H591-Y593 HydrophobicContact CB-CD1 3.56Å; H591-Y593 HydrophobicContact CB-CE1 3.39Å; H591-Y593 AromaticContact CD2-CE1 3.89Å; H591-Y593 AromaticContact CG-CE1 3.77Å; H591-Y593 PolarHBondContact O-N 3.43Å; H591-E594 HydrophobicContact CB-CG 4.43Å; H591-E594 PolarHBondContact N-OE2 2.71Å; H591-E594 WeakPolarHBondContact O-CB 3.29Å; H591-E594 PolarHBondContact O-N 3.34Å; H591-A595 PolarHBondContact O-N 2.88Å
592	R	91	Very high	91.8	Very high	88 Å²	88	53.4 Å²	53.4	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-33.9	178.2	-179.1	177.4	156.2	155.1	-2	113.5	S537 D540 A541 E594 A595 E596 F624	S537-R592 PolarHBondContact O-N 3.46Å; D540-R592 IonicContact OD2-NH1 3.24Å; A541-R592 HydrophobicContact CB-CB 4.48Å; R592-E594 VanDerWaalsContact C-N 3.33Å; R592-E594 PolarHBondContact O-N 2.91Å; R592-A595 WeakPolarHBondContact O-CB 3.38Å; R592-A595 PolarHBondContact O-N 2.93Å; R592-E596 HydrophobicContact CG-CG 4.42Å; R592-E596 IonicContact CZ-OE1 3.66Å; R592-E596 VanDerWaalsContact CZ-OE1 3.24Å; R592-E596 IonicContact NE-OE1 3.94Å; R592-E596 PolarHBondContact NE-OE1 3.12Å; R592-E596 IonicContact NH2-OE1 2.96Å; R592-E596 PolarHBondContact NH2-OE1 3.13Å; R592-E596 WeakPolarHBondContact O-CG 3.45Å; R592-E596 PolarHBondContact O-N 2.59Å; R592-F624 HydrophobicContact CG-CE1 4.3Å; R592-F624 HydrophobicContact CG-CZ 4.45Å
593	Y	91.6	Very high	91.9	Very high	130 Å²	130	49.6 Å²	49.6	51%	0.51	23%	0.229	S	C	.	.	H	α-helix	trans	-66.1	-34.7	178.9	75.1	-97.7	0	0	0	112.2	H591 A595 E596 L597	H591-Y593 VanDerWaalsContact C-N 3.31Å; H591-Y593 HydrophobicContact CB-CD1 3.56Å; H591-Y593 HydrophobicContact CB-CE1 3.39Å; H591-Y593 AromaticContact CD2-CE1 3.89Å; H591-Y593 AromaticContact CG-CE1 3.77Å; H591-Y593 PolarHBondContact O-N 3.43Å; Y593-A595 VanDerWaalsContact C-N 3.32Å; Y593-E596 PolarHBondContact O-N 2.66Å; Y593-L597 HydrophobicContact CD2-CD1 4.17Å; Y593-L597 WeakPolarHBondContact O-CG 3.43Å; Y593-L597 PolarHBondContact O-N 2.86Å
594	E	93.5	Very high	91.7	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-41.5	173.8	-57.9	171.8	135.3	0	0	110.3	G565 R566 F589 N590 H591 R592 E596 L597 A598	G565-E594 WeakPolarHBondContact CA-OE1 3.33Å; R566-E594 PolarHBondContact N-OE1 2.9Å; F589-E594 HydrophobicContact CB-CB 4.02Å; F589-E594 HydrophobicContact CD1-CB 3.63Å; F589-E594 HydrophobicContact CE1-CB 4.35Å; F589-E594 HydrophobicContact CG-CB 3.95Å; N590-E594 WeakPolarHBondContact CA-OE2 3.45Å; N590-E594 VanDerWaalsContact CB-OE2 3.25Å; N590-E594 WeakPolarHBondContact CB-OE2 3.34Å; N590-E594 PolarHBondContact N-OE2 2.89Å; H591-E594 HydrophobicContact CB-CG 4.43Å; H591-E594 PolarHBondContact N-OE2 2.71Å; H591-E594 WeakPolarHBondContact O-CB 3.29Å; H591-E594 PolarHBondContact O-N 3.34Å; R592-E594 VanDerWaalsContact C-N 3.33Å; R592-E594 PolarHBondContact O-N 2.91Å; E594-E596 VanDerWaalsContact C-N 3.33Å; E594-E596 PolarHBondContact O-N 3.11Å; E594-L597 PolarHBondContact O-N 2.92Å; E594-A598 WeakPolarHBondContact O-CB 3.43Å; E594-A598 PolarHBondContact O-N 3.22Å
595	A	93.1	Very high	91.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-35.8	174.7	0	0	0	0	0	112.3	L543 F589 H591 R592 Y593 I599 F624	L543-A595 HydrophobicContact CD1-CB 4.36Å; L543-A595 HydrophobicContact CD2-CB 3.86Å; L543-A595 HydrophobicContact CG-CB 4.06Å; F589-A595 HydrophobicContact CB-CB 4.25Å; F589-A595 HydrophobicContact CD2-CB 3.96Å; F589-A595 HydrophobicContact CG-CB 4.37Å; H591-A595 PolarHBondContact O-N 2.88Å; R592-A595 WeakPolarHBondContact O-CB 3.38Å; R592-A595 PolarHBondContact O-N 2.93Å; Y593-A595 VanDerWaalsContact C-N 3.32Å; A595-I599 VanDerWaalsContact O-CG1 3.26Å; A595-I599 WeakPolarHBondContact O-CG1 3.28Å; A595-I599 PolarHBondContact O-N 3.18Å; A595-F624 HydrophobicContact CB-CE1 4.42Å
596	E	93.1	Very high	90.3	Very high	63 Å²	63	60.2 Å²	60.2	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-69.6	-41.3	175	-73.6	171.4	167.6	0	0	112.1	R592 Y593 E594 I599 Q600 F624	R592-E596 HydrophobicContact CG-CG 4.42Å; R592-E596 IonicContact CZ-OE1 3.66Å; R592-E596 VanDerWaalsContact CZ-OE1 3.24Å; R592-E596 IonicContact NE-OE1 3.94Å; R592-E596 PolarHBondContact NE-OE1 3.12Å; R592-E596 IonicContact NH2-OE1 2.96Å; R592-E596 PolarHBondContact NH2-OE1 3.13Å; R592-E596 WeakPolarHBondContact O-CG 3.45Å; R592-E596 PolarHBondContact O-N 2.59Å; Y593-E596 PolarHBondContact O-N 2.66Å; E594-E596 VanDerWaalsContact C-N 3.33Å; E594-E596 PolarHBondContact O-N 3.11Å; E596-I599 PolarHBondContact O-N 3.14Å; E596-Q600 VanDerWaalsContact O-CG 3.28Å; E596-Q600 WeakPolarHBondContact O-CG 3.37Å; E596-Q600 PolarHBondContact O-N 3.18Å; E596-F624 HydrophobicContact CG-CE1 4.38Å; E596-F624 HydrophobicContact CG-CE2 4.35Å; E596-F624 HydrophobicContact CG-CZ 3.54Å
597	L	93.2	Very high	89.2	Confident	85 Å²	85	57.1 Å²	57.1	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-43.9	172.5	-70	169.8	0	0	0	111.7	Y593 E594 I599 Q600 Q601	Y593-L597 HydrophobicContact CD2-CD1 4.17Å; Y593-L597 WeakPolarHBondContact O-CG 3.43Å; Y593-L597 PolarHBondContact O-N 2.86Å; E594-L597 PolarHBondContact O-N 2.92Å; L597-I599 PolarHBondContact O-N 3.47Å; L597-Q600 PolarHBondContact O-N 2.7Å; L597-Q601 PolarHBondContact O-N 2.82Å
598	A	93.9	Very high	87.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-39.1	175.5	0	0	0	0	0	112.3	L543 F561 Y564 F589 E594 L602	L543-A598 HydrophobicContact CD1-CB 3.87Å; F561-A598 HydrophobicContact CD1-CB 4.27Å; Y564-A598 HydrophobicContact CD2-CB 4.42Å; Y564-A598 HydrophobicContact CG-CB 4.15Å; F589-A598 HydrophobicContact CE2-CB 3.78Å; F589-A598 HydrophobicContact CZ-CB 3.82Å; E594-A598 WeakPolarHBondContact O-CB 3.43Å; E594-A598 PolarHBondContact O-N 3.22Å; A598-L602 VanDerWaalsContact O-CB 3.3Å; A598-L602 WeakPolarHBondContact O-CB 3.4Å; A598-L602 PolarHBondContact O-N 2.95Å
599	I	93.2	Very high	86.1	Confident	34 Å²	34	62.3 Å²	62.3	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-48.7	170.7	-71.3	162	0	0	0	110.3	L543 A595 E596 L597 Q601 N603 V622 F624	L543-I599 HydrophobicContact CD1-CG1 4.38Å; L543-I599 HydrophobicContact CD2-CD1 3.52Å; L543-I599 HydrophobicContact CD2-CG1 3.63Å; A595-I599 VanDerWaalsContact O-CG1 3.26Å; A595-I599 WeakPolarHBondContact O-CG1 3.28Å; A595-I599 PolarHBondContact O-N 3.18Å; E596-I599 PolarHBondContact O-N 3.14Å; L597-I599 PolarHBondContact O-N 3.47Å; I599-Q601 PolarHBondContact O-N 2.85Å; I599-N603 HydrophobicContact CG2-CB 4.46Å; I599-N603 WeakPolarHBondContact O-CB 3.48Å; I599-N603 PolarHBondContact O-N 2.75Å; I599-N603 VanDerWaalsContact O-N 3.07Å; I599-V622 HydrophobicContact CG1-CG1 3.96Å; I599-F624 HydrophobicContact CD1-CD1 4.06Å; I599-F624 HydrophobicContact CD1-CD2 3.78Å; I599-F624 HydrophobicContact CD1-CE1 3.99Å; I599-F624 HydrophobicContact CD1-CE2 3.69Å; I599-F624 HydrophobicContact CD1-CG 3.99Å; I599-F624 HydrophobicContact CD1-CZ 3.83Å
600	Q	92	Very high	84.5	Confident	148 Å²	148	70.6 Å²	70.6	69%	0.692	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-39.5	-174.7	-74.8	171.1	16.1	0	0	113.2	E596 L597	E596-Q600 VanDerWaalsContact O-CG 3.28Å; E596-Q600 WeakPolarHBondContact O-CG 3.37Å; E596-Q600 PolarHBondContact O-N 3.18Å; L597-Q600 PolarHBondContact O-N 2.7Å
601	Q	89.4	Confident	82.9	Confident	125 Å²	125	73 Å²	73	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-92.3	-32.4	-176.3	-166.3	63.5	37.5	0	0	114.2	Y564 L597 I599	Y564-Q601 HydrophobicContact CD1-CB 4.32Å; Y564-Q601 HydrophobicContact CE1-CB 3.5Å; Y564-Q601 HydrophobicContact CE1-CG 3.62Å; Y564-Q601 VanDerWaalsContact OH-CG 3.26Å; Y564-Q601 WeakPolarHBondContact OH-CG 3.41Å; L597-Q601 PolarHBondContact O-N 2.82Å; I599-Q601 PolarHBondContact O-N 2.85Å
602	L	89	Confident	81	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-100.1	-15.7	-175.3	-66.2	178.4	0	0	0	114.7	L560 F561 Y564 A598 G604 Y605 I620 V622	L560-L602 HydrophobicContact CD1-CD2 4.24Å; L560-L602 HydrophobicContact CG-CD1 4.44Å; F561-L602 HydrophobicContact CD1-CD1 3.61Å; F561-L602 HydrophobicContact CD2-CD1 3.89Å; F561-L602 HydrophobicContact CE1-CD1 3.41Å; F561-L602 VanDerWaalsContact CE1-CD1 3.41Å; F561-L602 HydrophobicContact CE2-CD1 3.69Å; F561-L602 HydrophobicContact CG-CD1 3.86Å; F561-L602 HydrophobicContact CZ-CB 4.48Å; F561-L602 HydrophobicContact CZ-CD1 3.45Å; F561-L602 VanDerWaalsContact CZ-CD1 3.45Å; Y564-L602 HydrophobicContact CD2-CD1 3.83Å; Y564-L602 HydrophobicContact CD2-CG 4.24Å; Y564-L602 HydrophobicContact CE2-CD1 3.47Å; Y564-L602 VanDerWaalsContact CE2-CD1 3.47Å; Y564-L602 HydrophobicContact CE2-CD2 3.85Å; Y564-L602 HydrophobicContact CE2-CG 3.54Å; A598-L602 VanDerWaalsContact O-CB 3.3Å; A598-L602 WeakPolarHBondContact O-CB 3.4Å; A598-L602 PolarHBondContact O-N 2.95Å; L602-G604 PolarHBondContact O-N 2.87Å; L602-G604 VanDerWaalsContact O-N 3.15Å; L602-Y605 HydrophobicContact CD2-CD1 4.16Å; L602-Y605 HydrophobicContact CD2-CG 4.13Å; L602-Y605 VanDerWaalsContact O-CB 3.29Å; L602-Y605 WeakPolarHBondContact O-CB 3.2Å; L602-Y605 PolarHBondContact O-N 2.87Å; L602-I620 HydrophobicContact CB-CD1 4.24Å; L602-I620 VanDerWaalsContact O-CG1 3.22Å; L602-I620 WeakPolarHBondContact O-CG1 3.35Å; L602-V622 HydrophobicContact CB-CG2 3.87Å
603	N	89.7	Confident	79.1	Confident	85 Å²	85	74.9 Å²	74.9	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	110.7	177.4	-176.8	59.7	0	0	0	111.3	I599 T621 V622	I599-N603 HydrophobicContact CG2-CB 4.46Å; I599-N603 WeakPolarHBondContact O-CB 3.48Å; I599-N603 PolarHBondContact O-N 2.75Å; I599-N603 VanDerWaalsContact O-N 3.07Å; N603-T621 WeakPolarHBondContact OD1-CA 3.22Å; N603-V622 HydrophobicContact CB-CB 4.1Å; N603-V622 WeakPolarHBondContact CB-O 3.37Å; N603-V622 PolarHBondContact OD1-N 2.89Å; N603-V622 PolarHBondContact OD1-O 3.3Å
604	G	84	Confident	77.2	Confident	45 Å²	45	72.4 Å²	72.4	46%	0.464	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-4.9	-171.3	0	0	0	0	0	113.7	L602 P619 I620	L602-G604 PolarHBondContact O-N 2.87Å; L602-G604 VanDerWaalsContact O-N 3.15Å; G604-P619 WeakPolarHBondContact O-CB 3.44Å; G604-I620 WeakPolarHBondContact CA-O 3.43Å; G604-I620 PolarHBondContact N-O 2.86Å
605	Y	82.7	Confident	75.2	Confident	95 Å²	95	78 Å²	78	37%	0.373	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-66.4	134.1	-179.5	-175.7	-102.7	0	0	0	111.3	L602 L607 I620	L602-Y605 HydrophobicContact CD2-CD1 4.16Å; L602-Y605 HydrophobicContact CD2-CG 4.13Å; L602-Y605 VanDerWaalsContact O-CB 3.29Å; L602-Y605 WeakPolarHBondContact O-CB 3.2Å; L602-Y605 PolarHBondContact O-N 2.87Å; Y605-L607 HydrophobicContact CE1-CD2 4.34Å; Y605-I620 HydrophobicContact CD1-CD1 4.21Å; Y605-I620 WeakPolarHBondContact O-CG1 3.09Å; Y605-I620 PolarHBondContact O-N 3.49Å
606	Q	74.8	Confident	73.3	Confident	112 Å²	112	85.1 Å²	85.1	52%	0.523	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-95.9	119.2	176.1	-172.5	175.5	-28.8	0	0	108.2	N617	Q606-N617 HydrophobicContact CG-CB 4.17Å; Q606-N617 PolarHBondContact NE2-ND2 3.21Å
607	L	72.1	Confident	71.7	Confident	15 Å²	15	83.6 Å²	83.6	8%	0.079	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-64.4	148.2	178.1	-75.2	164.7	0	0	0	110.8	L548 P549 M552 L560 Y605 I620	L548-L607 HydrophobicContact CD2-CD1 4.28Å; P549-L607 HydrophobicContact CG-CD1 4.06Å; M552-L607 HydrophobicContact CE-CD2 4.4Å; M552-L607 HydrophobicContact SD-CD1 4.48Å; L560-L607 HydrophobicContact CD2-CD2 3.64Å; Y605-L607 HydrophobicContact CE1-CD2 4.34Å; L607-I620 HydrophobicContact CD1-CG2 3.61Å; L607-I620 HydrophobicContact CG-CG2 3.82Å
608	P	64.3	Low	70.5	Confident	57 Å²	57	87.8 Å²	87.8	37%	0.37	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-55	144.2	171.7	-25.8	35.1	0	0	0	112.3	E610 Y611	P608-E610 PolarHBondContact O-N 3.44Å; P608-Y611 HydrophobicContact CB-CD2 4.37Å; P608-Y611 HydrophobicContact CB-CE2 4.45Å; P608-Y611 HydrophobicContact CG-CE2 4.46Å; P608-Y611 PolarHBondContact O-N 3.44Å; P608-Y611 VanDerWaalsContact O-N 3.14Å
609	F	56.5	Low	69.9	Low	141 Å²	141	90.7 Å²	90.7	62%	0.618	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-56.2	-22.1	-179	-110.5	-63.9	0	0	0	114.2	Y611 S612 N617	F609-Y611 PolarHBondContact O-N 3.26Å; F609-Y611 VanDerWaalsContact O-N 3.09Å; F609-S612 PolarHBondContact O-N 3.47Å; F609-N617 WeakPolarHBondContact CD2-ND2 3.36Å; F609-N617 WeakPolarHBondContact CE1-ND2 3.37Å; F609-N617 WeakPolarHBondContact CE2-ND2 3.43Å; F609-N617 WeakPolarHBondContact CZ-ND2 3.26Å
610	E	58.6	Low	69.8	Low	174 Å²	174	89 Å²	89	81%	0.813	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-56.7	-20.4	176.7	-161.7	160.6	-142.1	0	0	113.6	P608	P608-E610 PolarHBondContact O-N 3.44Å
611	Y	54.6	Low	69.7	Low	76 Å²	76	84.3 Å²	84.3	30%	0.298	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-100.4	-5.2	175.2	-57	-76.9	0	0	0	114.1	P549 T551 E556 P608 F609	P549-Y611 WeakPolarHBondContact CB-O 3.45Å; T551-Y611 PolarHBondContact OG1-O 3.09Å; E556-Y611 HydrophobicContact CG-CE1 4.2Å; P608-Y611 HydrophobicContact CB-CD2 4.37Å; P608-Y611 HydrophobicContact CB-CE2 4.45Å; P608-Y611 HydrophobicContact CG-CE2 4.46Å; P608-Y611 PolarHBondContact O-N 3.44Å; P608-Y611 VanDerWaalsContact O-N 3.14Å; F609-Y611 PolarHBondContact O-N 3.26Å; F609-Y611 VanDerWaalsContact O-N 3.09Å
612	S	50.9	Low	69.9	Low	12 Å²	12	78.4 Å²	78.4	8%	0.084	40%	0.397	C	S	.	.			trans	-136.2	89.9	-166.5	44.4	0	0	0	0	114.7	F609 D614 N617	F609-S612 PolarHBondContact O-N 3.47Å; S612-D614 PolarHBondContact O-N 3.25Å; S612-N617 WeakPolarHBondContact CB-OD1 3.34Å; S612-N617 PolarHBondContact OG-OD1 2.94Å
613	N	50	Low	70.1	Confident	163 Å²	163	83.4 Å²	83.4	87%	0.872	42%	0.419	S	S	*	.			trans	-68.9	-13.8	158.8	-67.1	-19.1	0	0	0	112.6	I615	N613-I615 PolarHBondContact O-N 3.04Å
614	D	52.2	Low	70.2	Confident	79 Å²	79	82.9 Å²	82.9	42%	0.422	41%	0.412	S	S	.	.	S	Bend	trans	-72.9	112.4	170.6	-86.4	-36.2	0	0	0	109	K550 S612 L616	K550-D614 IonicContact NZ-OD1 3.24Å; K550-D614 IonicContact NZ-OD2 2.76Å; K550-D614 PolarHBondContact NZ-OD2 3.45Å; S612-D614 PolarHBondContact O-N 3.25Å; D614-L616 CarbonylContact O-C 3.53Å; D614-L616 PolarHBondContact O-N 2.82Å
615	I	51.4	Low	70.5	Confident	127 Å²	127	81.6 Å²	81.6	65%	0.651	40%	0.397	S	S	*	.	S	Bend	trans	-51.3	-21.7	178.7	-64.1	161.5	0	0	0	113.1	N613 N617	N613-I615 PolarHBondContact O-N 3.04Å; I615-N617 PolarHBondContact O-N 3.24Å
616	L	53.2	Low	70.6	Confident	151 Å²	151	82 Å²	82	79%	0.791	41%	0.406	S	S	*	.			trans	-86.6	80.2	173.9	-63.1	173.4	0	0	0	110.9	D614 R618	D614-L616 CarbonylContact O-C 3.53Å; D614-L616 PolarHBondContact O-N 2.82Å; L616-R618 PolarHBondContact O-N 2.89Å
617	N	59.8	Low	70.5	Confident	31 Å²	31	80.6 Å²	80.6	17%	0.166	41%	0.406	C	S	.	.			trans	-63.2	76.8	166.7	-87.8	-18.8	0	0	0	111.2	Q606 F609 S612 I615	Q606-N617 HydrophobicContact CG-CB 4.17Å; Q606-N617 PolarHBondContact NE2-ND2 3.21Å; F609-N617 WeakPolarHBondContact CD2-ND2 3.36Å; F609-N617 WeakPolarHBondContact CE1-ND2 3.37Å; F609-N617 WeakPolarHBondContact CE2-ND2 3.43Å; F609-N617 WeakPolarHBondContact CZ-ND2 3.26Å; S612-N617 WeakPolarHBondContact CB-OD1 3.34Å; S612-N617 PolarHBondContact OG-OD1 2.94Å; I615-N617 PolarHBondContact O-N 3.24Å
618	R	68	Low	70.2	Confident	172 Å²	172	84.9 Å²	84.9	65%	0.649	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-72.5	127.7	-179.5	-174.5	175.6	-178	161.9	4.5	109.4	L616 I620	L616-R618 PolarHBondContact O-N 2.89Å; R618-I620 PolarHBondContact O-N 2.77Å
619	P	82.3	Confident	69.8	Low	61 Å²	61	88.1 Å²	88.1	40%	0.396	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-62.2	137.8	174.9	25.7	-34	0	0	0	110.3	G604	G604-P619 WeakPolarHBondContact O-CB 3.44Å
620	I	89.6	Confident	69.7	Low	0 Å²	0	82.5 Å²	82.5	0%	0	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-70.9	139.9	177.2	78.3	-175.1	0	0	0	108.8	L548 L560 L602 G604 Y605 L607 R618 V622	L548-I620 HydrophobicContact CD2-CB 4.39Å; L548-I620 HydrophobicContact CD2-CG2 3.95Å; L560-I620 HydrophobicContact CD2-CD1 4.43Å; L602-I620 HydrophobicContact CB-CD1 4.24Å; L602-I620 VanDerWaalsContact O-CG1 3.22Å; L602-I620 WeakPolarHBondContact O-CG1 3.35Å; G604-I620 WeakPolarHBondContact CA-O 3.43Å; G604-I620 PolarHBondContact N-O 2.86Å; Y605-I620 HydrophobicContact CD1-CD1 4.21Å; Y605-I620 WeakPolarHBondContact O-CG1 3.09Å; Y605-I620 PolarHBondContact O-N 3.49Å; L607-I620 HydrophobicContact CD1-CG2 3.61Å; L607-I620 HydrophobicContact CG-CG2 3.82Å; R618-I620 PolarHBondContact O-N 2.77Å; I620-V622 HydrophobicContact CD1-CG2 4.42Å; I620-V622 HydrophobicContact CG1-CG2 4.2Å
621	T	91.4	Very high	69.4	Low	48 Å²	48	80 Å²	80	29%	0.294	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.2	-176.4	44.1	0	0	0	0	108.5	I545 S546 N603	I545-T621 CarbonylContact C-O 3.55Å; I545-T621 WeakPolarHBondContact CA-O 3.35Å; S546-T621 PolarHBondContact N-O 3.17Å; S546-T621 PolarHBondContact O-N 3.33Å; S546-T621 PolarHBondContact O-OG1 2.81Å; S546-T621 PolarHBondContact OG-OG1 3.38Å; N603-T621 WeakPolarHBondContact OD1-CA 3.22Å
622	V	93.3	Very high	69.3	Low	2 Å²	2	83.5 Å²	83.5	1%	0.012	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.7	-171.6	-175.3	0	0	0	0	108	L543 I545 F561 I599 L602 N603 I620	L543-V622 HydrophobicContact CD1-CG1 3.7Å; I545-V622 HydrophobicContact CG1-CG1 4.49Å; I545-V622 HydrophobicContact CG1-CG2 4.39Å; I545-V622 HydrophobicContact CG2-CG2 4.23Å; F561-V622 HydrophobicContact CE1-CG1 4.05Å; F561-V622 HydrophobicContact CE1-CG2 4.2Å; F561-V622 HydrophobicContact CZ-CG2 3.89Å; I599-V622 HydrophobicContact CG1-CG1 3.96Å; L602-V622 HydrophobicContact CB-CG2 3.87Å; N603-V622 HydrophobicContact CB-CB 4.1Å; N603-V622 WeakPolarHBondContact CB-O 3.37Å; N603-V622 PolarHBondContact OD1-N 2.89Å; N603-V622 PolarHBondContact OD1-O 3.3Å; I620-V622 HydrophobicContact CD1-CG2 4.42Å; I620-V622 HydrophobicContact CG1-CG2 4.2Å
623	K	92.5	Very high	69.4	Low	106 Å²	106	88.4 Å²	88.4	46%	0.461	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.3	-177.3	57.8	178.5	175.6	179.3	0	110.2	L543 Y544 A625	L543-K623 CarbonylContact C-O 3.52Å; L543-K623 VanDerWaalsContact CA-O 3.31Å; L543-K623 WeakPolarHBondContact CA-O 3.2Å; Y544-K623 HydrophobicContact CD1-CD 4.28Å; Y544-K623 HydrophobicContact CD1-CG 4.1Å; Y544-K623 PolarHBondContact N-O 3.36Å; Y544-K623 PolarHBondContact O-N 3.36Å; Y544-K623 VanDerWaalsContact O-N 3.07Å; K623-A625 PolarHBondContact O-N 3.14Å
624	F	92.6	Very high	69.5	Low	73 Å²	73	83.7 Å²	83.7	32%	0.32	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	137.7	167.8	-68.8	-67.3	0	0	0	111.3	D540 L543 R592 A595 E596 I599	D540-F624 WeakPolarHBondContact O-CD1 3.46Å; D540-F624 WeakPolarHBondContact O-CE1 3.42Å; L543-F624 HydrophobicContact CD2-CD1 4.12Å; L543-F624 HydrophobicContact CD2-CE1 4.49Å; R592-F624 HydrophobicContact CG-CE1 4.3Å; R592-F624 HydrophobicContact CG-CZ 4.45Å; A595-F624 HydrophobicContact CB-CE1 4.42Å; E596-F624 HydrophobicContact CG-CE1 4.38Å; E596-F624 HydrophobicContact CG-CE2 4.35Å; E596-F624 HydrophobicContact CG-CZ 3.54Å; I599-F624 HydrophobicContact CD1-CD1 4.06Å; I599-F624 HydrophobicContact CD1-CD2 3.78Å; I599-F624 HydrophobicContact CD1-CE1 3.99Å; I599-F624 HydrophobicContact CD1-CE2 3.69Å; I599-F624 HydrophobicContact CD1-CG 3.99Å; I599-F624 HydrophobicContact CD1-CZ 3.83Å
625	A	90.3	Very high	69.7	Low	18 Å²	18	86.3 Å²	86.3	15%	0.149	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-77.4	128.3	173.7	0	0	0	0	0	110	N542 F586 K623	N542-A625 HydrophobicContact CB-CB 3.98Å; N542-A625 PolarHBondContact O-N 3.46Å; F586-A625 HydrophobicContact CD1-CB 3.82Å; F586-A625 HydrophobicContact CE1-CB 3.87Å; K623-A625 PolarHBondContact O-N 3.14Å
626	N	84.2	Confident	69.9	Low	104 Å²	104	83.8 Å²	83.8	56%	0.556	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-52.9	133.8	168.9	-68.2	29.3	0	0	0	109.6
627	P	73.1	Confident	70	Confident	82 Å²	82	79 Å²	79	53%	0.532	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62	140.3	174.9	26.3	-32.8	0	0	0	108.9	N629 S630	P627-N629 PolarHBondContact O-N 2.89Å; P627-S630 WeakPolarHBondContact O-CB 3.37Å; P627-S630 PolarHBondContact O-N 3.48Å
628	P	65.2	Low	69.9	Low	106 Å²	106	81 Å²	81	69%	0.688	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.7	-169.4	22.4	-34	0	0	0	114.2
629	N	56.9	Low	69.7	Low	125 Å²	125	74.7 Å²	74.7	67%	0.668	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.6	174	-70	-6.5	0	0	0	113.9	P627 I631 K632	P627-N629 PolarHBondContact O-N 2.89Å; N629-I631 PolarHBondContact O-N 2.97Å; N629-K632 PolarHBondContact O-N 3.07Å
630	S	54.1	Low	68.8	Low	23 Å²	23	75.2 Å²	75.2	16%	0.161	39%	0.392	C	S	.	.	H	α-helix	trans	-60.5	-30.7	-179.9	91.5	0	0	0	0	111.9	P627 K632 L633 D634	P627-S630 WeakPolarHBondContact O-CB 3.37Å; P627-S630 PolarHBondContact O-N 3.48Å; S630-K632 PolarHBondContact O-N 3.16Å; S630-K632 VanDerWaalsContact O-N 3.07Å; S630-L633 CarbonylContact O-C 3.45Å; S630-L633 VanDerWaalsContact O-CA 3.3Å; S630-L633 WeakPolarHBondContact O-CA 3.42Å; S630-L633 VanDerWaalsContact O-CB 3.3Å; S630-L633 WeakPolarHBondContact O-CB 3.22Å; S630-L633 PolarHBondContact O-N 3.29Å; S630-D634 VanDerWaalsContact C-OD2 3.28Å; S630-D634 PolarHBondContact O-N 2.97Å; S630-D634 VanDerWaalsContact O-OD2 3.07Å; S630-D634 PolarHBondContact OG-OD2 2.86Å
631	I	52.5	Low	67.5	Low	120 Å²	120	79.3 Å²	79.3	62%	0.615	41%	0.413	S	S	*	.	H	α-helix	trans	-56.6	-31.1	-177.5	-55	176.7	0	0	0	111.3	N629 Y635	N629-I631 PolarHBondContact O-N 2.97Å; I631-Y635 PolarHBondContact O-N 3.02Å; I631-Y635 VanDerWaalsContact O-N 3.11Å
632	K	51.8	Low	66.3	Low	150 Å²	150	81.6 Å²	81.6	65%	0.652	42%	0.419	S	S	*	.	H	α-helix	trans	-68.5	-35.7	173.1	-62.9	-176	176.1	-176.6	0	112.5	N629 S630 F636	N629-K632 PolarHBondContact O-N 3.07Å; S630-K632 PolarHBondContact O-N 3.16Å; S630-K632 VanDerWaalsContact O-N 3.07Å; K632-F636 PolarHBondContact O-N 2.97Å
633	L	52.1	Low	64.7	Low	116 Å²	116	84.6 Å²	84.6	61%	0.607	43%	0.433	S	S	*	.	H	α-helix	trans	-80.7	-34.6	178.2	-138.9	77.7	0	0	0	112.5	S630 Y635 F636 S637	S630-L633 CarbonylContact O-C 3.45Å; S630-L633 VanDerWaalsContact O-CA 3.3Å; S630-L633 WeakPolarHBondContact O-CA 3.42Å; S630-L633 VanDerWaalsContact O-CB 3.3Å; S630-L633 WeakPolarHBondContact O-CB 3.22Å; S630-L633 PolarHBondContact O-N 3.29Å; L633-Y635 VanDerWaalsContact C-N 3.34Å; L633-F636 PolarHBondContact O-N 2.77Å; L633-S637 WeakPolarHBondContact O-CB 2.99Å; L633-S637 PolarHBondContact O-N 3.36Å; L633-S637 PolarHBondContact O-OG 2.81Å
634	D	53.3	Low	63	Low	64 Å²	64	81.4 Å²	81.4	34%	0.342	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-42.5	171.8	-71.6	-59	0	0	0	110	S630 S637 L638	S630-D634 VanDerWaalsContact C-OD2 3.28Å; S630-D634 PolarHBondContact O-N 2.97Å; S630-D634 VanDerWaalsContact O-OD2 3.07Å; S630-D634 PolarHBondContact OG-OD2 2.86Å; D634-S637 PolarHBondContact O-N 2.84Å; D634-L638 WeakPolarHBondContact O-CB 3.33Å; D634-L638 PolarHBondContact O-N 2.9Å
635	Y	56.2	Low	61.5	Low	133 Å²	133	80.6 Å²	80.6	52%	0.522	43%	0.433	S	S	.	.	H	α-helix	trans	-64.3	-40.8	173.5	-164.2	-88.1	0	0	0	112.5	I631 L633 L638 L639	I631-Y635 PolarHBondContact O-N 3.02Å; I631-Y635 VanDerWaalsContact O-N 3.11Å; L633-Y635 VanDerWaalsContact C-N 3.34Å; Y635-L638 PolarHBondContact O-N 2.81Å; Y635-L639 WeakPolarHBondContact O-CB 3.23Å; Y635-L639 PolarHBondContact O-N 3.45Å
636	F	55.8	Low	60.2	Low	74 Å²	74	84.8 Å²	84.8	33%	0.325	45%	0.45	S	S	.	.	H	α-helix	trans	-62.8	-42.4	173.9	-173.2	-94	0	0	0	111.8	K632 L633 L638 L639 L640 I723 T727	K632-F636 PolarHBondContact O-N 2.97Å; L633-F636 PolarHBondContact O-N 2.77Å; F636-L638 VanDerWaalsContact C-N 3.34Å; F636-L638 PolarHBondContact O-N 3.39Å; F636-L639 PolarHBondContact O-N 3.07Å; F636-L640 WeakPolarHBondContact O-CB 3.31Å; F636-L640 PolarHBondContact O-N 2.87Å; F636-I723 HydrophobicContact CZ-CG2 4.37Å; F636-T727 HydrophobicContact CE2-CG2 3.94Å; F636-T727 HydrophobicContact CZ-CG2 4.46Å
637	S	54	Low	58.8	Low	52 Å²	52	84.8 Å²	84.8	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-39.8	176.4	-57.2	0	0	0	0	111.9	L633 D634 L641	L633-S637 WeakPolarHBondContact O-CB 2.99Å; L633-S637 PolarHBondContact O-N 3.36Å; L633-S637 PolarHBondContact O-OG 2.81Å; D634-S637 PolarHBondContact O-N 2.84Å; S637-L641 WeakPolarHBondContact O-CB 3.4Å; S637-L641 PolarHBondContact O-N 3.18Å
638	L	59.5	Low	58	Low	71 Å²	71	83.6 Å²	83.6	37%	0.372	44%	0.437	S	S	.	.	H	α-helix	trans	-69.7	-38.3	175.8	-165.2	76.5	0	0	0	112	D634 Y635 F636 L641 K642	D634-L638 WeakPolarHBondContact O-CB 3.33Å; D634-L638 PolarHBondContact O-N 2.9Å; Y635-L638 PolarHBondContact O-N 2.81Å; F636-L638 VanDerWaalsContact C-N 3.34Å; F636-L638 PolarHBondContact O-N 3.39Å; L638-L641 WeakPolarHBondContact O-CB 3.48Å; L638-L641 PolarHBondContact O-N 3.49Å; L638-K642 WeakPolarHBondContact O-CB 3.38Å; L638-K642 PolarHBondContact O-N 3.2Å
639	L	61.9	Low	57.4	Low	41 Å²	41	81.4 Å²	81.4	22%	0.215	43%	0.427	C	S	.	.	H	α-helix	trans	-66.6	-41.3	176.6	-171.9	65.8	0	0	0	111.3	Y635 F636 L641 K642 Q643	Y635-L639 WeakPolarHBondContact O-CB 3.23Å; Y635-L639 PolarHBondContact O-N 3.45Å; F636-L639 PolarHBondContact O-N 3.07Å; L639-L641 VanDerWaalsContact C-N 3.32Å; L639-L641 PolarHBondContact O-N 2.83Å; L639-K642 PolarHBondContact O-N 3.42Å; L639-Q643 WeakPolarHBondContact O-CB 3.39Å; L639-Q643 PolarHBondContact O-N 3.46Å
640	L	64.1	Low	57.2	Low	71 Å²	71	80 Å²	80	37%	0.372	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-37.6	173.9	-157.1	73.6	0	0	0	111.4	F636 A644	F636-L640 WeakPolarHBondContact O-CB 3.31Å; F636-L640 PolarHBondContact O-N 2.87Å; L640-A644 WeakPolarHBondContact O-CB 3.44Å; L640-A644 PolarHBondContact O-N 2.67Å
641	L	63.1	Low	56.8	Low	86 Å²	86	82.3 Å²	82.3	45%	0.45	44%	0.443	S	S	.	.	H	α-helix	trans	-66.7	-44.3	173.4	-165.6	74.8	0	0	0	112.1	S637 L638 L639 Q643 A644 A645 I683	S637-L641 WeakPolarHBondContact O-CB 3.4Å; S637-L641 PolarHBondContact O-N 3.18Å; L638-L641 WeakPolarHBondContact O-CB 3.48Å; L638-L641 PolarHBondContact O-N 3.49Å; L639-L641 VanDerWaalsContact C-N 3.32Å; L639-L641 PolarHBondContact O-N 2.83Å; L641-Q643 VanDerWaalsContact C-N 3.34Å; L641-Q643 PolarHBondContact O-N 2.73Å; L641-A644 PolarHBondContact O-N 2.93Å; L641-A645 WeakPolarHBondContact O-CB 3.5Å; L641-A645 PolarHBondContact O-N 3.38Å; L641-I683 HydrophobicContact CD1-CG2 3.82Å
642	K	65.6	Low	56.4	Low	96 Å²	96	83.1 Å²	83.1	42%	0.417	44%	0.442	S	S	.	.	H	α-helix	trans	-58.5	-45.1	174.7	-173	-174.8	179	-171.7	0	110.6	L638 L639 A645 Q646 E787	L638-K642 WeakPolarHBondContact O-CB 3.38Å; L638-K642 PolarHBondContact O-N 3.2Å; L639-K642 PolarHBondContact O-N 3.42Å; K642-A645 PolarHBondContact O-N 3.02Å; K642-Q646 VanDerWaalsContact O-CG 3.32Å; K642-Q646 WeakPolarHBondContact O-CG 3.4Å; K642-Q646 PolarHBondContact O-N 2.96Å; K642-E787 IonicContact NZ-OE1 3.85Å; K642-E787 PolarHBondContact NZ-OE1 3.35Å
643	Q	58.8	Low	56.3	Low	66 Å²	66	80 Å²	80	31%	0.308	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-39.1	178.8	-171.2	170.1	71.5	0	0	112.6	L639 L641 Q646 L647	L639-Q643 WeakPolarHBondContact O-CB 3.39Å; L639-Q643 PolarHBondContact O-N 3.46Å; L641-Q643 VanDerWaalsContact C-N 3.34Å; L641-Q643 PolarHBondContact O-N 2.73Å; Q643-Q646 PolarHBondContact O-N 2.78Å; Q643-L647 PolarHBondContact O-N 2.78Å
644	A	57.8	Low	56	Low	38 Å²	38	78.2 Å²	78.2	31%	0.314	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-41.3	173.9	0	0	0	0	0	112.2	L640 L641 L647 Q648	L640-A644 WeakPolarHBondContact O-CB 3.44Å; L640-A644 PolarHBondContact O-N 2.67Å; L641-A644 PolarHBondContact O-N 2.93Å; A644-L647 PolarHBondContact O-N 3.39Å; A644-Q648 PolarHBondContact O-N 3.34Å
645	A	62.1	Low	55.4	Low	57 Å²	57	79 Å²	79	47%	0.471	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-41.2	174.8	0	0	0	0	0	112.3	L641 K642 L647 Q648 A649	L641-A645 WeakPolarHBondContact O-CB 3.5Å; L641-A645 PolarHBondContact O-N 3.38Å; K642-A645 PolarHBondContact O-N 3.02Å; A645-L647 PolarHBondContact O-N 3.48Å; A645-Q648 PolarHBondContact O-N 3.05Å; A645-A649 PolarHBondContact O-N 3.18Å
646	Q	62.5	Low	54.7	Low	106 Å²	106	78.2 Å²	78.2	50%	0.495	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-40.9	176.1	-76.3	173.5	-29.9	0	0	112.4	K642 Q643 Q648 A649 V650	K642-Q646 VanDerWaalsContact O-CG 3.32Å; K642-Q646 WeakPolarHBondContact O-CG 3.4Å; K642-Q646 PolarHBondContact O-N 2.96Å; Q643-Q646 PolarHBondContact O-N 2.78Å; Q646-Q648 VanDerWaalsContact C-N 3.34Å; Q646-Q648 PolarHBondContact O-N 2.89Å; Q646-A649 WeakPolarHBondContact O-CB 3.3Å; Q646-A649 PolarHBondContact O-N 2.84Å; Q646-A649 VanDerWaalsContact O-N 3.16Å; Q646-V650 WeakPolarHBondContact O-CG2 3.47Å; Q646-V650 PolarHBondContact O-N 3.03Å
647	L	54.4	Low	53.9	Low	104 Å²	104	80.8 Å²	80.8	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-37.4	174.7	-73.4	168.6	0	0	0	112.4	Q643 A644 A645 A649 A651	Q643-L647 PolarHBondContact O-N 2.78Å; A644-L647 PolarHBondContact O-N 3.39Å; A645-L647 PolarHBondContact O-N 3.48Å; L647-A649 VanDerWaalsContact C-N 3.33Å; L647-A651 WeakPolarHBondContact O-CB 3.48Å; L647-A651 PolarHBondContact O-N 2.95Å; L647-A651 VanDerWaalsContact O-N 3.17Å
648	Q	56.5	Low	52.8	Low	57 Å²	57	83.9 Å²	83.9	27%	0.266	51%	0.512	S	S	.	.	H	α-helix	trans	-68.2	-29.8	173.2	-69.8	-172.2	-2.4	0	0	113	A644 A645 Q646	A644-Q648 PolarHBondContact O-N 3.34Å; A645-Q648 PolarHBondContact O-N 3.05Å; Q646-Q648 VanDerWaalsContact C-N 3.34Å; Q646-Q648 PolarHBondContact O-N 2.89Å
649	A	52.7	Low	51.8	Low	59 Å²	59	85.6 Å²	85.6	49%	0.488	53%	0.527	S	S	.	.	H	α-helix	trans	-71.8	-45.8	175.5	0	0	0	0	0	112.2	A645 Q646 L647 A651 K652 S653	A645-A649 PolarHBondContact O-N 3.18Å; Q646-A649 WeakPolarHBondContact O-CB 3.3Å; Q646-A649 PolarHBondContact O-N 2.84Å; Q646-A649 VanDerWaalsContact O-N 3.16Å; L647-A649 VanDerWaalsContact C-N 3.33Å; A649-A651 VanDerWaalsContact C-N 3.3Å; A649-A651 PolarHBondContact O-N 2.86Å; A649-K652 PolarHBondContact O-N 2.87Å; A649-S653 PolarHBondContact O-N 2.82Å; A649-S653 VanDerWaalsContact O-N 3.16Å
650	V	51.8	Low	50.6	Low	95 Å²	95	91.5 Å²	91.5	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-63.5	-36.4	177.8	176.2	0	0	0	0	111.6	Q646 K652 S653 A654	Q646-V650 WeakPolarHBondContact O-CG2 3.47Å; Q646-V650 PolarHBondContact O-N 3.03Å; V650-K652 PolarHBondContact O-N 3.02Å; V650-S653 PolarHBondContact O-N 3.04Å; V650-S653 PolarHBondContact O-OG 3.35Å; V650-A654 PolarHBondContact O-N 3.13Å
651	A	46.4	Very low	49.2	Very low	72 Å²	72	92.5 Å²	92.5	60%	0.595	58%	0.578	S	S	*	*	H	α-helix	trans	-62.1	-25.5	173.5	0	0	0	0	0	113.5	L647 A649	L647-A651 WeakPolarHBondContact O-CB 3.48Å; L647-A651 PolarHBondContact O-N 2.95Å; L647-A651 VanDerWaalsContact O-N 3.17Å; A649-A651 VanDerWaalsContact C-N 3.3Å; A649-A651 PolarHBondContact O-N 2.86Å
652	K	44.9	Very low	47.9	Very low	137 Å²	137	95.3 Å²	95.3	60%	0.596	60%	0.599	S	S	*	*	H	α-helix	trans	-86.9	-30.5	176.8	-72.1	-177.2	178.1	-178.5	0	113.3	A649 V650 Q676	A649-K652 PolarHBondContact O-N 2.87Å; V650-K652 PolarHBondContact O-N 3.02Å; K652-Q676 VanDerWaalsContact NZ-OE1 3.15Å
653	S	49	Very low	46.3	Very low	85 Å²	85	96.4 Å²	96.4	59%	0.594	62%	0.618	S	S	*	*	H	α-helix	trans	-79.2	-18.4	177.8	59.2	0	0	0	0	114.2	A649 V650 A655	A649-S653 PolarHBondContact O-N 2.82Å; A649-S653 VanDerWaalsContact O-N 3.16Å; V650-S653 PolarHBondContact O-N 3.04Å; V650-S653 PolarHBondContact O-OG 3.35Å; S653-A655 PolarHBondContact O-N 2.88Å
654	A	46.2	Very low	45.3	Very low	78 Å²	78	97.8 Å²	97.8	65%	0.645	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-14.7	172.7	0	0	0	0	0	114	V650 T656	V650-A654 PolarHBondContact O-N 3.13Å; A654-T656 VanDerWaalsContact C-N 3.29Å; A654-T656 PolarHBondContact O-N 2.73Å
655	A	39.9	Very low	44.2	Very low	82 Å²	82	102.1 Å²	102.1	68%	0.678	66%	0.664	S	S	*	*			trans	-82	64.1	-179.2	0	0	0	0	0	112.8	S653	S653-A655 PolarHBondContact O-N 2.88Å
656	T	42.4	Very low	42.8	Very low	116 Å²	116	107.8 Å²	107.8	71%	0.712	68%	0.684	S	S	*	*			trans	-121.7	115.6	166.8	43.1	0	0	0	0	109.9	A654 S658	A654-T656 VanDerWaalsContact C-N 3.29Å; A654-T656 PolarHBondContact O-N 2.73Å; T656-S658 PolarHBondContact O-N 3.43Å
657	P	39.1	Very low	41.4	Very low	128 Å²	128	107.8 Å²	107.8	83%	0.831	70%	0.702	S	S	*	*			trans	-80.8	117.4	-170.4	30.1	-33.8	0	0	0	111.9
658	S	30.1	Very low	40.6	Very low	117 Å²	117	108 Å²	108	82%	0.818	72%	0.719	S	S	*	*			trans	-99.6	110.9	163.6	-175.3	0	0	0	0	109.5	T656 N660	T656-S658 PolarHBondContact O-N 3.43Å; S658-N660 PolarHBondContact O-N 3.25Å
659	P	39.5	Very low	39.6	Very low	106 Å²	106	114.1 Å²	114.1	69%	0.688	75%	0.747	S	S	*	*			trans	-81.1	110.5	176.9	30.9	-31	0	0	0	110.3
660	N	35.6	Very low	38.7	Very low	166 Å²	166	119.4 Å²	119.4	89%	0.888	77%	0.766	S	S	*	*			trans	169.4	60.7	148	-86.1	-22.8	0	0	0	112.7	S658	S658-N660 PolarHBondContact O-N 3.25Å
661	A	35.7	Very low	38.1	Very low	92 Å²	92	121.9 Å²	121.9	76%	0.76	78%	0.776	S	S	*	*			trans	-156.5	93.7	166	0	0	0	0	0	111.4	S663	A661-S663 PolarHBondContact O-N 3.31Å
662	T	33.9	Very low	37.8	Very low	145 Å²	145	124.1 Å²	124.1	89%	0.89	78%	0.778	S	S	*	*			trans	-85.9	88.3	-173	42.8	0	0	0	0	113.6
663	S	33.8	Very low	37.9	Very low	118 Å²	118	122.7 Å²	122.7	83%	0.825	78%	0.782	S	S	*	*	S	Bend	trans	-164.3	21.6	161.8	60.6	0	0	0	0	117.5	A661	A661-S663 PolarHBondContact O-N 3.31Å
664	A	36.4	Very low	37.7	Very low	96 Å²	96	124.4 Å²	124.4	79%	0.793	78%	0.784	S	S	*	*			trans	-152.6	53.2	-177.7	0	0	0	0	0	115.5
665	V	34.3	Very low	37.9	Very low	129 Å²	129	125.7 Å²	125.7	78%	0.782	78%	0.777	S	S	*	*			trans	-123.7	35.6	-165.4	-158	0	0	0	0	114
666	I	32.7	Very low	38.5	Very low	175 Å²	175	125.8 Å²	125.8	90%	0.897	76%	0.764	S	S	*	*	S	Bend	trans	-130.8	4.7	-173.3	-58.4	-176.4	0	0	0	114
667	A	34.6	Very low	39	Very low	106 Å²	106	125.9 Å²	125.9	88%	0.876	76%	0.756	S	S	*	*	S	Bend	trans	-127.9	3.4	-171.1	0	0	0	0	0	117
668	A	37	Very low	39.9	Very low	108 Å²	108	124.9 Å²	124.9	89%	0.893	74%	0.74	S	S	*	*	S	Bend	trans	-102.9	-7.3	-164.2	0	0	0	0	0	116.4
669	E	35	Very low	40.9	Very low	186 Å²	186	124.8 Å²	124.8	87%	0.869	73%	0.727	S	S	*	*	S	Bend	trans	-113.3	1.4	-156.8	-158	156.6	-146.2	0	0	115.8
670	L	34.7	Very low	41.7	Very low	170 Å²	170	124.5 Å²	124.5	89%	0.89	72%	0.716	S	S	*	*			trans	-134.6	78	178.4	-73.3	176.2	0	0	0	113
671	L	38	Very low	42.7	Very low	147 Å²	147	122 Å²	122	77%	0.77	70%	0.699	S	S	*	*			trans	-139.5	124.8	158.2	-144.9	78.9	0	0	0	111.2
672	N	41.2	Very low	43.2	Very low	120 Å²	120	125 Å²	125	64%	0.642	69%	0.691	S	S	*	*			trans	-65.7	135.6	-166.9	-91.4	-38.3	0	0	0	113.5	L674 Q675	N672-L674 HydrophobicContact CB-CB 4.29Å; N672-L674 PolarHBondContact O-N 3.15Å; N672-L674 VanDerWaalsContact O-N 3.15Å; N672-Q675 WeakPolarHBondContact O-CB 3.5Å; N672-Q675 PolarHBondContact O-N 3.19Å
673	P	47.5	Very low	44.1	Very low	106 Å²	106	121 Å²	121	69%	0.688	66%	0.663	S	S	*	*	H	α-helix	trans	-60.3	-26	170.1	25.4	-33.7	0	0	0	112.3	Q675 Q676 Q677	P673-Q675 PolarHBondContact O-N 3.11Å; P673-Q676 WeakPolarHBondContact O-CB 3.3Å; P673-Q676 PolarHBondContact O-N 3.07Å; P673-Q677 PolarHBondContact O-N 3.03Å
674	L	43.5	Very low	44.7	Very low	122 Å²	122	117.7 Å²	117.7	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-59.8	-30.4	174	-155.9	127.3	0	0	0	112.9	N672 Q678	N672-L674 HydrophobicContact CB-CB 4.29Å; N672-L674 PolarHBondContact O-N 3.15Å; N672-L674 VanDerWaalsContact O-N 3.15Å; L674-Q678 PolarHBondContact O-N 2.83Å; L674-Q678 VanDerWaalsContact O-N 3.1Å
675	Q	51.3	Low	45.6	Very low	105 Å²	105	117.2 Å²	117.2	49%	0.491	63%	0.631	S	S	.	*	H	α-helix	trans	-74.6	-28.6	176	-160.7	170.6	14.6	0	0	112	N672 P673 Q678 Q679	N672-Q675 WeakPolarHBondContact O-CB 3.5Å; N672-Q675 PolarHBondContact O-N 3.19Å; P673-Q675 PolarHBondContact O-N 3.11Å; Q675-Q678 PolarHBondContact O-N 2.76Å; Q675-Q679 WeakPolarHBondContact O-CB 3.35Å; Q675-Q679 PolarHBondContact O-N 3.5Å
676	Q	51.4	Low	46.3	Very low	84 Å²	84	115 Å²	115	39%	0.393	61%	0.613	S	S	.	*	H	α-helix	trans	-69	-39.3	174.5	-161	166.8	105.2	0	0	111	K652 P673 Q679 Q680	K652-Q676 VanDerWaalsContact NZ-OE1 3.15Å; P673-Q676 WeakPolarHBondContact O-CB 3.3Å; P673-Q676 PolarHBondContact O-N 3.07Å; Q676-Q679 PolarHBondContact O-N 3.01Å; Q676-Q680 PolarHBondContact O-N 2.91Å; Q676-Q680 VanDerWaalsContact O-N 3.07Å
677	Q	54.5	Low	47.1	Very low	118 Å²	118	108.4 Å²	108.4	55%	0.551	58%	0.583	S	S	*	*	H	α-helix	trans	-65.7	-42.5	172	-166.1	179.7	26.7	0	0	111.8	P673 Q679 Q680 Q681	P673-Q677 PolarHBondContact O-N 3.03Å; Q677-Q679 VanDerWaalsContact C-N 3.29Å; Q677-Q679 PolarHBondContact O-N 3.01Å; Q677-Q680 PolarHBondContact O-N 2.92Å; Q677-Q681 WeakPolarHBondContact O-CG 3.43Å; Q677-Q681 PolarHBondContact O-N 3.38Å
678	Q	56.4	Low	47.6	Very low	107 Å²	107	107.1 Å²	107.1	50%	0.5	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-33.7	175.5	-163.3	-179.5	70.6	0	0	112	L674 Q675 Q681 R682	L674-Q678 PolarHBondContact O-N 2.83Å; L674-Q678 VanDerWaalsContact O-N 3.1Å; Q675-Q678 PolarHBondContact O-N 2.76Å; Q678-Q681 PolarHBondContact O-N 2.96Å; Q678-R682 WeakPolarHBondContact O-CG 3.19Å; Q678-R682 PolarHBondContact O-N 2.72Å
679	Q	52.8	Low	48	Very low	114 Å²	114	111.2 Å²	111.2	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-68.6	-38	174.4	-157.8	174.9	35.6	0	0	112.1	Q675 Q676 Q677 R682 I683	Q675-Q679 WeakPolarHBondContact O-CB 3.35Å; Q675-Q679 PolarHBondContact O-N 3.5Å; Q676-Q679 PolarHBondContact O-N 3.01Å; Q677-Q679 VanDerWaalsContact C-N 3.29Å; Q677-Q679 PolarHBondContact O-N 3.01Å; Q679-R682 PolarHBondContact O-N 2.87Å; Q679-I683 WeakPolarHBondContact O-CG1 3.46Å; Q679-I683 PolarHBondContact O-N 3.03Å
680	Q	56.3	Low	48.4	Very low	100 Å²	100	105.1 Å²	105.1	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-39.6	171.1	-71.4	179.2	-9.1	0	0	112.2	Q676 Q677 R682 I683 A684	Q676-Q680 PolarHBondContact O-N 2.91Å; Q676-Q680 VanDerWaalsContact O-N 3.07Å; Q677-Q680 PolarHBondContact O-N 2.92Å; Q680-R682 VanDerWaalsContact C-N 3.31Å; Q680-R682 PolarHBondContact O-N 2.83Å; Q680-I683 PolarHBondContact O-N 3.34Å; Q680-A684 PolarHBondContact O-N 2.9Å
681	Q	56	Low	48.9	Very low	113 Å²	113	102.6 Å²	102.6	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-35	171.4	-72	176.7	-7.7	0	0	112.6	Q677 Q678 A684 T685	Q677-Q681 WeakPolarHBondContact O-CG 3.43Å; Q677-Q681 PolarHBondContact O-N 3.38Å; Q678-Q681 PolarHBondContact O-N 2.96Å; Q681-A684 PolarHBondContact O-N 2.82Å; Q681-T685 PolarHBondContact O-N 2.81Å; Q681-T685 PolarHBondContact O-OG1 2.67Å
682	R	46.1	Very low	49.1	Very low	157 Å²	157	104.1 Å²	104.1	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-67	-39.4	171.4	-72.6	-178.5	79.1	168.2	2.7	112	Q678 Q679 Q680 T685 I686	Q678-R682 WeakPolarHBondContact O-CG 3.19Å; Q678-R682 PolarHBondContact O-N 2.72Å; Q679-R682 PolarHBondContact O-N 2.87Å; Q680-R682 VanDerWaalsContact C-N 3.31Å; Q680-R682 PolarHBondContact O-N 2.83Å; R682-T685 WeakPolarHBondContact CA-OG1 3.27Å; R682-T685 PolarHBondContact O-N 2.94Å; R682-T685 PolarHBondContact O-OG1 3.27Å; R682-I686 WeakPolarHBondContact O-CB 3.48Å; R682-I686 WeakPolarHBondContact O-CD1 3.22Å; R682-I686 WeakPolarHBondContact O-CG1 3.48Å; R682-I686 PolarHBondContact O-N 3.49Å
683	I	51.9	Low	49	Very low	60 Å²	60	101.6 Å²	101.6	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-41	173.3	-67.1	164.4	0	0	0	111	L641 Q679 Q680 I686 S687	L641-I683 HydrophobicContact CD1-CG2 3.82Å; Q679-I683 WeakPolarHBondContact O-CG1 3.46Å; Q679-I683 PolarHBondContact O-N 3.03Å; Q680-I683 PolarHBondContact O-N 3.34Å; I683-I686 PolarHBondContact O-N 2.79Å; I683-S687 WeakPolarHBondContact O-CB 3.36Å; I683-S687 PolarHBondContact O-N 3.38Å
684	A	48.1	Very low	48.6	Very low	49 Å²	49	101.3 Å²	101.3	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-65.5	-42.7	176	0	0	0	0	0	112.6	Q680 Q681 S687 N688	Q680-A684 PolarHBondContact O-N 2.9Å; Q681-A684 PolarHBondContact O-N 2.82Å; A684-S687 PolarHBondContact O-N 2.83Å; A684-N688 WeakPolarHBondContact O-CB 3.32Å; A684-N688 PolarHBondContact O-N 2.98Å
685	T	54.6	Low	48.5	Very low	86 Å²	86	100.3 Å²	100.3	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-71.5	-28.6	175.1	44.5	0	0	0	0	113.1	Q681 R682 R689	Q681-T685 PolarHBondContact O-N 2.81Å; Q681-T685 PolarHBondContact O-OG1 2.67Å; R682-T685 WeakPolarHBondContact CA-OG1 3.27Å; R682-T685 PolarHBondContact O-N 2.94Å; R682-T685 PolarHBondContact O-OG1 3.27Å; T685-R689 WeakPolarHBondContact O-CB 3.5Å; T685-R689 PolarHBondContact O-N 2.93Å
686	I	49.2	Very low	47.8	Very low	81 Å²	81	99.1 Å²	99.1	42%	0.415	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-46.4	167.5	-72	163.9	0	0	0	110.3	R682 I683 N688 R689 L690	R682-I686 WeakPolarHBondContact O-CB 3.48Å; R682-I686 WeakPolarHBondContact O-CD1 3.22Å; R682-I686 WeakPolarHBondContact O-CG1 3.48Å; R682-I686 PolarHBondContact O-N 3.49Å; I683-I686 PolarHBondContact O-N 2.79Å; I686-N688 VanDerWaalsContact C-N 3.32Å; I686-N688 PolarHBondContact O-N 3.41Å; I686-R689 PolarHBondContact O-N 2.77Å; I686-L690 HydrophobicContact CG2-CD1 3.89Å; I686-L690 HydrophobicContact CG2-CG 4.37Å; I686-L690 WeakPolarHBondContact O-CB 3.49Å; I686-L690 VanDerWaalsContact O-CG 3.29Å; I686-L690 WeakPolarHBondContact O-CG 3.26Å; I686-L690 PolarHBondContact O-N 3.03Å
687	S	48.9	Very low	47	Very low	37 Å²	37	100.6 Å²	100.6	26%	0.259	51%	0.51	S	S	.	.	H	α-helix	trans	-59.4	-42.1	176.3	-169.4	0	0	0	0	111.9	I683 A684 L690 K691	I683-S687 WeakPolarHBondContact O-CB 3.36Å; I683-S687 PolarHBondContact O-N 3.38Å; A684-S687 PolarHBondContact O-N 2.83Å; S687-L690 PolarHBondContact O-N 3.01Å; S687-K691 WeakPolarHBondContact O-CG 3.32Å; S687-K691 PolarHBondContact O-N 2.84Å
688	N	44.1	Very low	46	Very low	79 Å²	79	101.2 Å²	101.2	42%	0.422	53%	0.527	S	S	.	.	H	α-helix	trans	-71.1	-39.3	175.6	-70.2	-14.4	0	0	0	112.2	A684 I686 L690 K691 Y692	A684-N688 WeakPolarHBondContact O-CB 3.32Å; A684-N688 PolarHBondContact O-N 2.98Å; I686-N688 VanDerWaalsContact C-N 3.32Å; I686-N688 PolarHBondContact O-N 3.41Å; N688-L690 VanDerWaalsContact C-N 3.33Å; N688-L690 PolarHBondContact O-N 3.48Å; N688-K691 PolarHBondContact O-N 2.92Å; N688-Y692 HydrophobicContact CB-CD2 4.4Å; N688-Y692 HydrophobicContact CB-CE2 4.48Å; N688-Y692 WeakPolarHBondContact O-CD2 3.25Å; N688-Y692 PolarHBondContact O-N 3.32Å
689	R	46.6	Very low	45.1	Very low	195 Å²	195	100.3 Å²	100.3	74%	0.736	53%	0.532	S	S	*	.	H	α-helix	trans	-61.7	-39.5	171.3	-93.4	-168.8	166.6	-130.8	-0.3	112.1	T685 I686 K691 Y692 S693	T685-R689 WeakPolarHBondContact O-CB 3.5Å; T685-R689 PolarHBondContact O-N 2.93Å; I686-R689 PolarHBondContact O-N 2.77Å; R689-K691 VanDerWaalsContact C-N 3.32Å; R689-K691 PolarHBondContact O-N 2.91Å; R689-Y692 PolarHBondContact O-N 2.79Å; R689-S693 WeakPolarHBondContact O-CA 3.25Å; R689-S693 WeakPolarHBondContact O-CB 3.38Å; R689-S693 PolarHBondContact O-N 3.03Å
690	L	43.1	Very low	44.4	Very low	57 Å²	57	99.1 Å²	99.1	30%	0.298	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-36.5	175	-71	168.6	0	0	0	111.8	I686 S687 N688 M694 M708	I686-L690 HydrophobicContact CG2-CD1 3.89Å; I686-L690 HydrophobicContact CG2-CG 4.37Å; I686-L690 WeakPolarHBondContact O-CB 3.49Å; I686-L690 VanDerWaalsContact O-CG 3.29Å; I686-L690 WeakPolarHBondContact O-CG 3.26Å; I686-L690 PolarHBondContact O-N 3.03Å; S687-L690 PolarHBondContact O-N 3.01Å; N688-L690 VanDerWaalsContact C-N 3.33Å; N688-L690 PolarHBondContact O-N 3.48Å; L690-M694 HydrophobicContact CD2-CE 3.68Å; L690-M694 WeakPolarHBondContact O-CG 3.17Å; L690-M708 HydrophobicContact CD1-CE 4.14Å; L690-M708 HydrophobicContact CD2-CE 3.86Å
691	K	46.2	Very low	43.5	Very low	117 Å²	117	102.3 Å²	102.3	51%	0.509	55%	0.548	S	S	.	.	H	α-helix	trans	-70.3	-35.5	175.1	-74.5	169.8	-179.9	169.9	0	114.1	S687 N688 R689	S687-K691 WeakPolarHBondContact O-CG 3.32Å; S687-K691 PolarHBondContact O-N 2.84Å; N688-K691 PolarHBondContact O-N 2.92Å; R689-K691 VanDerWaalsContact C-N 3.32Å; R689-K691 PolarHBondContact O-N 2.91Å
692	Y	41.4	Very low	43	Very low	179 Å²	179	101.7 Å²	101.7	70%	0.702	55%	0.552	S	S	*	*	H	α-helix	trans	-104.6	-20.7	-173.2	-65.6	-63.5	0	0	0	115.4	N688 R689 T695	N688-Y692 HydrophobicContact CB-CD2 4.4Å; N688-Y692 HydrophobicContact CB-CE2 4.48Å; N688-Y692 WeakPolarHBondContact O-CD2 3.25Å; N688-Y692 PolarHBondContact O-N 3.32Å; R689-Y692 PolarHBondContact O-N 2.79Å; Y692-T695 PolarHBondContact O-OG1 2.82Å
693	S	38.1	Very low	42.7	Very low	68 Å²	68	98 Å²	98	48%	0.476	54%	0.544	S	S	.	.	S	Bend	trans	-90.8	-8.3	-176.8	-164.8	0	0	0	0	114.2	R689 T695	R689-S693 WeakPolarHBondContact O-CA 3.25Å; R689-S693 WeakPolarHBondContact O-CB 3.38Å; R689-S693 PolarHBondContact O-N 3.03Å; S693-T695 VanDerWaalsContact C-N 3.33Å
694	M	39.4	Very low	42.4	Very low	99 Å²	99	98.3 Å²	98.3	49%	0.488	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.4	-178.3	-65.5	-64.1	171.3	0	0	113.9	L690 L704	L690-M694 HydrophobicContact CD2-CE 3.68Å; L690-M694 WeakPolarHBondContact O-CG 3.17Å; M694-L704 HydrophobicContact CE-CD1 3.66Å; M694-L704 HydrophobicContact CE-CD2 3.89Å; M694-L704 HydrophobicContact CE-CG 4.43Å; M694-L704 HydrophobicContact SD-CD1 4.14Å
695	T	42.6	Very low	42.1	Very low	102 Å²	102	101 Å²	101	63%	0.626	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	3.5	-176.9	54.4	0	0	0	0	113.7	Y692 S693	Y692-T695 PolarHBondContact O-OG1 2.82Å; S693-T695 VanDerWaalsContact C-N 3.33Å
696	S	35.5	Very low	41.5	Very low	80 Å²	80	99.3 Å²	99.3	56%	0.559	55%	0.545	S	S	*	.	S	Bend	trans	-145.7	134.8	-175.3	47.6	0	0	0	0	113.9
697	S	34.6	Very low	41.4	Very low	115 Å²	115	99.1 Å²	99.1	80%	0.804	55%	0.548	S	S	*	.			trans	67.1	137.4	176	77.8	0	0	0	0	118	S699	S697-S699 PolarHBondContact O-N 2.97Å
698	S	34.9	Very low	40.9	Very low	130 Å²	130	100.5 Å²	100.5	91%	0.909	55%	0.551	S	S	*	*			trans	-77.7	106	177.4	52.7	0	0	0	0	111.5
699	S	36.1	Very low	41.1	Very low	88 Å²	88	100.6 Å²	100.6	62%	0.615	55%	0.554	S	S	*	*			trans	-127.9	153.7	164.4	54.6	0	0	0	0	110	S697	S697-S699 PolarHBondContact O-N 2.97Å
700	T	37.8	Very low	41.1	Very low	90 Å²	90	97.5 Å²	97.5	55%	0.552	55%	0.552	S	S	*	*			trans	-77.9	134	-172.7	24.1	0	0	0	0	112.2	T702 D703	T700-T702 PolarHBondContact O-N 3.17Å; T700-D703 PolarHBondContact O-N 2.78Å; T700-D703 PolarHBondContact OG1-OD2 3.06Å
701	E	39.2	Very low	41.3	Very low	166 Å²	166	99.2 Å²	99.2	78%	0.776	57%	0.565	S	S	*	*	H	α-helix	trans	-53	-24.9	-177	-61.2	177.4	142.1	0	0	113.9	D703 L704	E701-D703 VanDerWaalsContact C-N 3.34Å; E701-D703 PolarHBondContact O-N 2.93Å; E701-L704 PolarHBondContact O-N 2.85Å
702	T	44.2	Very low	41.1	Very low	100 Å²	100	98.4 Å²	98.4	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-63.1	-33	175.2	46.1	0	0	0	0	114.1	T700 L704 L705 S706	T700-T702 PolarHBondContact O-N 3.17Å; T702-L704 VanDerWaalsContact C-N 3.28Å; T702-L704 PolarHBondContact O-N 3.1Å; T702-L705 PolarHBondContact O-N 3.35Å; T702-S706 PolarHBondContact O-N 2.96Å
703	D	40.1	Very low	40.9	Very low	81 Å²	81	92.5 Å²	92.5	43%	0.433	56%	0.559	S	S	.	*	H	α-helix	trans	-76.8	-17.5	-178	-65.8	-57.5	0	0	0	112.8	T700 E701 S706 T707	T700-D703 PolarHBondContact O-N 2.78Å; T700-D703 PolarHBondContact OG1-OD2 3.06Å; E701-D703 VanDerWaalsContact C-N 3.34Å; E701-D703 PolarHBondContact O-N 2.93Å; D703-S706 WeakPolarHBondContact CA-OG 3.47Å; D703-S706 PolarHBondContact O-OG 3.46Å; D703-S706 VanDerWaalsContact O-OG 3.05Å; D703-T707 WeakPolarHBondContact O-CB 3.28Å; D703-T707 PolarHBondContact O-N 3.28Å; D703-T707 PolarHBondContact O-OG1 3.1Å
704	L	44.8	Very low	41	Very low	66 Å²	66	93.2 Å²	93.2	35%	0.346	56%	0.557	S	S	.	*	H	α-helix	trans	-71.3	-37.2	173.5	-63	173.3	0	0	0	111.3	M694 E701 T702 M708	M694-L704 HydrophobicContact CE-CD1 3.66Å; M694-L704 HydrophobicContact CE-CD2 3.89Å; M694-L704 HydrophobicContact CE-CG 4.43Å; M694-L704 HydrophobicContact SD-CD1 4.14Å; E701-L704 PolarHBondContact O-N 2.85Å; T702-L704 VanDerWaalsContact C-N 3.28Å; T702-L704 PolarHBondContact O-N 3.1Å; L704-M708 WeakPolarHBondContact O-CB 3.13Å; L704-M708 VanDerWaalsContact O-CG 3.26Å; L704-M708 WeakPolarHBondContact O-CG 3.21Å; L704-M708 PolarHBondContact O-N 2.78Å
705	L	42.8	Very low	41	Very low	104 Å²	104	95.3 Å²	95.3	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-71.1	-42.9	176.8	-75.6	170.1	0	0	0	112.2	T702 T707 M708 V709	T702-L705 PolarHBondContact O-N 3.35Å; L705-T707 VanDerWaalsContact C-N 3.35Å; L705-M708 PolarHBondContact O-N 3.38Å; L705-V709 WeakPolarHBondContact O-CG2 3.1Å; L705-V709 PolarHBondContact O-N 3.07Å
706	S	42.7	Very low	40.9	Very low	52 Å²	52	95.7 Å²	95.7	36%	0.364	57%	0.568	S	S	.	*	H	α-helix	trans	-64.2	-40.8	174.4	59.6	0	0	0	0	111.5	T702 D703 V709 N710	T702-S706 PolarHBondContact O-N 2.96Å; D703-S706 WeakPolarHBondContact CA-OG 3.47Å; D703-S706 PolarHBondContact O-OG 3.46Å; D703-S706 VanDerWaalsContact O-OG 3.05Å; S706-V709 PolarHBondContact O-N 2.84Å; S706-N710 WeakPolarHBondContact O-CB 3.35Å; S706-N710 PolarHBondContact O-N 2.71Å; S706-N710 PolarHBondContact O-ND2 3.43Å
707	T	45.8	Very low	41.3	Very low	76 Å²	76	96.8 Å²	96.8	47%	0.466	58%	0.576	S	S	.	*	H	α-helix	trans	-64.5	-39.5	174.2	-58.5	0	0	0	0	112	D703 L705 T711	D703-T707 WeakPolarHBondContact O-CB 3.28Å; D703-T707 PolarHBondContact O-N 3.28Å; D703-T707 PolarHBondContact O-OG1 3.1Å; L705-T707 VanDerWaalsContact C-N 3.35Å; T707-T711 WeakPolarHBondContact O-CB 3.36Å; T707-T711 PolarHBondContact O-N 2.83Å; T707-T711 PolarHBondContact O-OG1 2.9Å
708	M	39.6	Very low	41.9	Very low	66 Å²	66	97.7 Å²	97.7	33%	0.325	57%	0.57	S	S	.	*	H	α-helix	trans	-63.6	-47.3	175.1	-80.2	-178.4	-178.8	0	0	112.1	L690 L704 L705 N710 T711 I712	L690-M708 HydrophobicContact CD1-CE 4.14Å; L690-M708 HydrophobicContact CD2-CE 3.86Å; L704-M708 WeakPolarHBondContact O-CB 3.13Å; L704-M708 VanDerWaalsContact O-CG 3.26Å; L704-M708 WeakPolarHBondContact O-CG 3.21Å; L704-M708 PolarHBondContact O-N 2.78Å; L705-M708 PolarHBondContact O-N 3.38Å; M708-N710 PolarHBondContact O-N 3.21Å; M708-T711 PolarHBondContact O-N 3.37Å; M708-I712 HydrophobicContact CB-CD1 4.35Å; M708-I712 VanDerWaalsContact O-CB 3.26Å; M708-I712 WeakPolarHBondContact O-CB 3.41Å; M708-I712 WeakPolarHBondContact O-CD1 3.46Å; M708-I712 WeakPolarHBondContact O-CG1 3.3Å; M708-I712 PolarHBondContact O-N 2.97Å
709	V	47.1	Very low	42.1	Very low	82 Å²	82	94.8 Å²	94.8	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-57.8	-48.4	177	172.3	0	0	0	0	110.8	L705 S706 G713	L705-V709 WeakPolarHBondContact O-CG2 3.1Å; L705-V709 PolarHBondContact O-N 3.07Å; S706-V709 PolarHBondContact O-N 2.84Å; V709-G713 PolarHBondContact O-N 3.05Å
710	N	46.8	Very low	42.1	Very low	129 Å²	129	93.4 Å²	93.4	69%	0.69	54%	0.538	S	S	*	.	H	α-helix	trans	-68	-37.7	-179.3	-70.1	-18.9	0	0	0	113.4	S706 M708	S706-N710 WeakPolarHBondContact O-CB 3.35Å; S706-N710 PolarHBondContact O-N 2.71Å; S706-N710 PolarHBondContact O-ND2 3.43Å; M708-N710 PolarHBondContact O-N 3.21Å
711	T	47.4	Very low	42.3	Very low	94 Å²	94	92.8 Å²	92.8	58%	0.577	54%	0.536	S	S	*	.	H	α-helix	trans	-77.1	-27.8	-177.2	-55	0	0	0	0	112.6	T707 M708	T707-T711 WeakPolarHBondContact O-CB 3.36Å; T707-T711 PolarHBondContact O-N 2.83Å; T707-T711 PolarHBondContact O-OG1 2.9Å; M708-T711 PolarHBondContact O-N 3.37Å
712	I	43.3	Very low	42.5	Very low	99 Å²	99	87.4 Å²	87.4	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-84	-22.7	-178.7	-68	170.7	0	0	0	111.3	M708 I714	M708-I712 HydrophobicContact CB-CD1 4.35Å; M708-I712 VanDerWaalsContact O-CB 3.26Å; M708-I712 WeakPolarHBondContact O-CB 3.41Å; M708-I712 WeakPolarHBondContact O-CD1 3.46Å; M708-I712 WeakPolarHBondContact O-CG1 3.3Å; M708-I712 PolarHBondContact O-N 2.97Å; I712-I714 HydrophobicContact CG2-CB 4Å; I712-I714 HydrophobicContact CG2-CD1 3.57Å; I712-I714 HydrophobicContact CG2-CG1 3.72Å; I712-I714 PolarHBondContact O-N 2.86Å; I712-I714 VanDerWaalsContact O-N 3.14Å
713	G	35.4	Very low	42.5	Very low	56 Å²	56	85 Å²	85	58%	0.577	50%	0.497	S	S	*	.			trans	70.1	4.3	175.8	0	0	0	0	0	114.9	V709 N715	V709-G713 PolarHBondContact O-N 3.05Å; G713-N715 PolarHBondContact O-N 2.95Å
714	I	41.1	Very low	42.6	Very low	83 Å²	83	86.5 Å²	86.5	43%	0.426	50%	0.504	S	S	.	.			trans	-88	91.1	179.5	-64.3	173.4	0	0	0	108.6	I712 N716 L719	I712-I714 HydrophobicContact CG2-CB 4Å; I712-I714 HydrophobicContact CG2-CD1 3.57Å; I712-I714 HydrophobicContact CG2-CG1 3.72Å; I712-I714 PolarHBondContact O-N 2.86Å; I712-I714 VanDerWaalsContact O-N 3.14Å; I714-N716 HydrophobicContact CG2-CB 3.65Å; I714-N716 PolarHBondContact O-N 2.84Å; I714-L719 HydrophobicContact CG2-CD1 4.09Å
715	N	40.2	Very low	42.7	Very low	143 Å²	143	85.4 Å²	85.4	77%	0.765	50%	0.504	S	S	*	.			trans	-72.8	19.2	171.2	-71.7	-22.1	0	0	0	113.3	G713 S717	G713-N715 PolarHBondContact O-N 2.95Å; N715-S717 PolarHBondContact O-N 2.85Å
716	N	38.9	Very low	42.9	Very low	109 Å²	109	81.4 Å²	81.4	58%	0.583	49%	0.485	S	S	*	.			trans	-78.9	106.8	-179.5	-70	-3.3	0	0	0	110.6	I714 I718 L719	I714-N716 HydrophobicContact CG2-CB 3.65Å; I714-N716 PolarHBondContact O-N 2.84Å; N716-I718 PolarHBondContact O-N 3.11Å; N716-L719 PolarHBondContact O-N 2.86Å
717	S	45.1	Very low	43.4	Very low	104 Å²	104	82.5 Å²	82.5	73%	0.727	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-3.7	176.1	-168.4	0	0	0	0	115.7	N715 P721	N715-S717 PolarHBondContact O-N 2.85Å; S717-P721 WeakPolarHBondContact O-CD 3.31Å
718	I	47.5	Very low	43.9	Very low	134 Å²	134	79.1 Å²	79.1	69%	0.687	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-29.6	-177.8	-63.8	172.2	0	0	0	112.3	N716	N716-I718 PolarHBondContact O-N 3.11Å
719	L	38	Very low	45	Very low	69 Å²	69	76 Å²	76	36%	0.361	46%	0.455	S	S	.	.	H	α-helix	trans	-85.5	-30	-173.9	-74.1	168.1	0	0	0	114.3	I714 N716 T722 I723	I714-L719 HydrophobicContact CG2-CD1 4.09Å; N716-L719 PolarHBondContact O-N 2.86Å; L719-T722 PolarHBondContact O-N 2.91Å; L719-I723 PolarHBondContact O-N 2.96Å
720	A	36.7	Very low	46	Very low	58 Å²	58	76.6 Å²	76.6	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-42.9	-178	0	0	0	0	0	113.7	T722 I723 I724	A720-T722 VanDerWaalsContact C-N 3.33Å; A720-T722 PolarHBondContact O-N 2.99Å; A720-I723 PolarHBondContact O-N 2.85Å; A720-I724 WeakPolarHBondContact O-CD1 3.45Å; A720-I724 VanDerWaalsContact O-CG1 3.29Å; A720-I724 WeakPolarHBondContact O-CG1 3.33Å; A720-I724 PolarHBondContact O-N 2.83Å; A720-I724 VanDerWaalsContact O-N 3.15Å
721	P	41.1	Very low	47.1	Very low	78 Å²	78	72 Å²	72	51%	0.506	43%	0.431	S	S	.	.	H	α-helix	trans	-60	-39.3	176.1	-24.6	35.1	0	0	0	113.4	S717 I724 A725	S717-P721 WeakPolarHBondContact O-CD 3.31Å; P721-I724 PolarHBondContact O-N 2.9Å; P721-A725 VanDerWaalsContact O-CB 3.24Å; P721-A725 WeakPolarHBondContact O-CB 3.25Å; P721-A725 PolarHBondContact O-N 2.85Å
722	T	43.4	Very low	47.9	Very low	53 Å²	53	71.5 Å²	71.5	33%	0.325	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-45.2	-178	-50.6	0	0	0	0	111.8	L719 A720 A725 S726	L719-T722 PolarHBondContact O-N 2.91Å; A720-T722 VanDerWaalsContact C-N 3.33Å; A720-T722 PolarHBondContact O-N 2.99Å; T722-A725 PolarHBondContact O-N 2.98Å; T722-S726 WeakPolarHBondContact O-CB 3.04Å; T722-S726 PolarHBondContact O-N 3.37Å; T722-S726 PolarHBondContact O-OG 2.97Å
723	I	44	Very low	49.4	Very low	50 Å²	50	72.2 Å²	72.2	26%	0.256	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-45.5	179.3	-62.2	175.2	0	0	0	109.9	F636 L719 A720 A725 S726 T727	F636-I723 HydrophobicContact CZ-CG2 4.37Å; L719-I723 PolarHBondContact O-N 2.96Å; A720-I723 PolarHBondContact O-N 2.85Å; I723-A725 PolarHBondContact O-N 2.84Å; I723-S726 PolarHBondContact O-N 2.79Å; I723-S726 PolarHBondContact O-OG 2.91Å; I723-T727 PolarHBondContact O-N 3.44Å; I723-T727 VanDerWaalsContact O-N 3.09Å; I723-T727 PolarHBondContact O-OG1 2.81Å
724	I	43.2	Very low	51.6	Low	111 Å²	111	69.8 Å²	69.8	57%	0.569	41%	0.409	S	S	*	.	H	α-helix	trans	-61	-44.8	177.6	-65.9	167.3	0	0	0	111.3	A720 P721 S726 T727 G728	A720-I724 WeakPolarHBondContact O-CD1 3.45Å; A720-I724 VanDerWaalsContact O-CG1 3.29Å; A720-I724 WeakPolarHBondContact O-CG1 3.33Å; A720-I724 PolarHBondContact O-N 2.83Å; A720-I724 VanDerWaalsContact O-N 3.15Å; P721-I724 PolarHBondContact O-N 2.9Å; I724-S726 PolarHBondContact O-N 2.84Å; I724-T727 PolarHBondContact O-N 3.24Å; I724-T727 PolarHBondContact O-OG1 3.06Å; I724-G728 PolarHBondContact O-N 3.15Å
725	A	46	Very low	53.9	Low	43 Å²	43	67 Å²	67	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-41.4	177	0	0	0	0	0	112.6	P721 T722 I723 T727 G728	P721-A725 VanDerWaalsContact O-CB 3.24Å; P721-A725 WeakPolarHBondContact O-CB 3.25Å; P721-A725 PolarHBondContact O-N 2.85Å; T722-A725 PolarHBondContact O-N 2.98Å; I723-A725 PolarHBondContact O-N 2.84Å; A725-T727 VanDerWaalsContact C-N 3.32Å; A725-T727 PolarHBondContact O-N 3.31Å; A725-G728 PolarHBondContact O-N 2.9Å
726	S	48.2	Very low	56.3	Low	20 Å²	20	60.4 Å²	60.4	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-31.2	177	74.6	0	0	0	0	113.3	T722 I723 I724 W735	T722-S726 WeakPolarHBondContact O-CB 3.04Å; T722-S726 PolarHBondContact O-N 3.37Å; T722-S726 PolarHBondContact O-OG 2.97Å; I723-S726 PolarHBondContact O-N 2.79Å; I723-S726 PolarHBondContact O-OG 2.91Å; I724-S726 PolarHBondContact O-N 2.84Å; S726-W735 WeakPolarHBondContact O-CZ3 3.41Å
727	T	53.2	Low	58.9	Low	75 Å²	75	55.2 Å²	55.2	46%	0.46	33%	0.331	S	S	.	.	H	α-helix	trans	-84.1	-26	178.3	51.6	0	0	0	0	114	F636 I723 I724 A725	F636-T727 HydrophobicContact CE2-CG2 3.94Å; F636-T727 HydrophobicContact CZ-CG2 4.46Å; I723-T727 PolarHBondContact O-N 3.44Å; I723-T727 VanDerWaalsContact O-N 3.09Å; I723-T727 PolarHBondContact O-OG1 2.81Å; I724-T727 PolarHBondContact O-N 3.24Å; I724-T727 PolarHBondContact O-OG1 3.06Å; A725-T727 VanDerWaalsContact C-N 3.32Å; A725-T727 PolarHBondContact O-N 3.31Å
728	G	56.5	Low	61.2	Low	6 Å²	6	53 Å²	53	6%	0.062	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-44.9	-178.3	0	0	0	0	0	113.8	I724 A725 L730 K811 T813	I724-G728 PolarHBondContact O-N 3.15Å; A725-G728 PolarHBondContact O-N 2.9Å; G728-L730 PolarHBondContact O-N 2.96Å; G728-K811 CarbonylContact C-O 3.47Å; G728-K811 WeakPolarHBondContact CA-O 3.17Å; G728-T813 WeakPolarHBondContact CA-OG1 2.95Å; G728-T813 WeakPolarHBondContact O-CG2 3.45Å
729	G	61	Low	63.4	Low	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-76	-19.5	-168.1	0	0	0	0	0	115.9	T731 C736 K811	G729-T731 PolarHBondContact O-N 3.29Å; G729-C736 WeakPolarHBondContact O-CB 3.41Å; G729-C736 PolarHBondContact O-N 3.45Å; G729-K811 PolarHBondContact N-O 2.76Å
730	L	68.3	Low	66.1	Low	95 Å²	95	48.3 Å²	48.3	50%	0.497	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-76	122.6	-169.4	-173.2	60.9	0	0	0	112.4	G728 W735	G728-L730 PolarHBondContact O-N 2.96Å; L730-W735 HydrophobicContact CB-CE3 4.35Å; L730-W735 HydrophobicContact CB-CH2 4.44Å; L730-W735 HydrophobicContact CB-CZ3 4.14Å; L730-W735 HydrophobicContact CD1-CD2 4.08Å; L730-W735 HydrophobicContact CD1-CE3 4.37Å; L730-W735 HydrophobicContact CD1-CH2 4.29Å; L730-W735 HydrophobicContact CD1-CZ2 3.95Å; L730-W735 HydrophobicContact CD1-CZ3 4.48Å
731	T	69.6	Low	68.7	Low	32 Å²	32	48.1 Å²	48.1	20%	0.196	27%	0.268	C	S	.	.			trans	-111.5	162.5	170.6	65.7	0	0	0	0	109.8	G729 N733 G734 C736	G729-T731 PolarHBondContact O-N 3.29Å; T731-N733 PolarHBondContact O-N 3.38Å; T731-G734 PolarHBondContact N-O 3.18Å; T731-G734 PolarHBondContact O-N 2.79Å; T731-G734 PolarHBondContact OG1-N 3.32Å; T731-G734 PolarHBondContact OG1-O 2.93Å; T731-C736 HydrophobicContact CG2-CB 3.51Å
732	P	65.2	Low	71.1	Confident	84 Å²	84	44.5 Å²	44.5	55%	0.545	25%	0.245	S	C	.	.	S	Bend	trans	-59.3	-19.2	179.6	22.2	-34.7	0	0	0	114.7
733	N	74.2	Confident	73.2	Confident	114 Å²	114	42.2 Å²	42.2	61%	0.61	23%	0.231	S	C	*	.	S	Bend	trans	-92.8	-47.4	178	-59.6	-4.6	0	0	0	111.3	T731 Q762	T731-N733 PolarHBondContact O-N 3.38Å; N733-Q762 VanDerWaalsContact CB-OE1 3.27Å; N733-Q762 PolarHBondContact O-NE2 3.18Å; N733-Q762 PolarHBondContact O-OE1 3.24Å
734	G	83.3	Confident	75.2	Confident	4 Å²	4	42.3 Å²	42.3	4%	0.041	24%	0.235	C	C	.	.	S	Bend	trans	-175.2	-158.4	-175.3	0	0	0	0	0	114.2	T731 M783	T731-G734 PolarHBondContact N-O 3.18Å; T731-G734 PolarHBondContact O-N 2.79Å; T731-G734 PolarHBondContact OG1-N 3.32Å; T731-G734 PolarHBondContact OG1-O 2.93Å; G734-M783 CarbonylContact C-O 3.55Å; G734-M783 WeakPolarHBondContact CA-O 3.36Å
735	W	88.3	Confident	77.2	Confident	25 Å²	25	44.6 Å²	44.6	10%	0.095	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.1	-172.2	-65.1	88.4	0	0	0	111.5	S726 L730 T782 M783 Y786 A789 F810	S726-W735 WeakPolarHBondContact O-CZ3 3.41Å; L730-W735 HydrophobicContact CB-CE3 4.35Å; L730-W735 HydrophobicContact CB-CH2 4.44Å; L730-W735 HydrophobicContact CB-CZ3 4.14Å; L730-W735 HydrophobicContact CD1-CD2 4.08Å; L730-W735 HydrophobicContact CD1-CE3 4.37Å; L730-W735 HydrophobicContact CD1-CH2 4.29Å; L730-W735 HydrophobicContact CD1-CZ2 3.95Å; L730-W735 HydrophobicContact CD1-CZ3 4.48Å; W735-T782 WeakPolarHBondContact O-CA 2.99Å; W735-M783 PolarHBondContact N-O 2.65Å; W735-M783 PolarHBondContact O-N 2.83Å; W735-Y786 VanDerWaalsContact CD1-N 3.28Å; W735-Y786 AromaticContact CD2-CD2 3.79Å; W735-Y786 HydrophobicContact CD2-CD2 3.79Å; W735-Y786 HydrophobicContact CD2-CG 4.38Å; W735-Y786 AromaticContact CE3-CD2 3.53Å; W735-Y786 HydrophobicContact CE3-CD2 3.53Å; W735-Y786 HydrophobicContact CE3-CE2 4.2Å; W735-Y786 HydrophobicContact CE3-CG 4.48Å; W735-Y786 AromaticContact CH2-CD2 3.81Å; W735-Y786 HydrophobicContact CH2-CD2 3.81Å; W735-Y786 HydrophobicContact CH2-CE2 4.44Å; W735-Y786 HydrophobicContact CH2-CG 4.29Å; W735-Y786 HydrophobicContact CZ2-CD2 4.08Å; W735-Y786 HydrophobicContact CZ2-CG 4.21Å; W735-Y786 AromaticContact CZ3-CD2 3.53Å; W735-Y786 HydrophobicContact CZ3-CD2 3.53Å; W735-Y786 AromaticContact CZ3-CE2 3.98Å; W735-Y786 HydrophobicContact CZ3-CE2 3.98Å; W735-Y786 HydrophobicContact CZ3-CG 4.42Å; W735-A789 HydrophobicContact CB-CB 3.8Å; W735-F810 HydrophobicContact CE3-CE1 4.38Å
736	C	90.4	Very high	79.1	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.2	-171.7	-166.6	0	0	0	0	111.9	G729 T731 V781 K811	G729-C736 WeakPolarHBondContact O-CB 3.41Å; G729-C736 PolarHBondContact O-N 3.45Å; T731-C736 HydrophobicContact CG2-CB 3.51Å; C736-V781 WeakPolarHBondContact CA-O 3.43Å; C736-K811 HydrophobicContact CB-CB 4.34Å; C736-K811 HydrophobicContact CB-CD 4.13Å; C736-K811 VanDerWaalsContact O-CB 3.26Å; C736-K811 WeakPolarHBondContact O-CB 3.46Å; C736-K811 PolarHBondContact O-N 3.08Å; C736-K811 VanDerWaalsContact SG-CD 3.51Å
737	I	93.6	Very high	81.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.6	173.1	-55	177.3	0	0	0	108.3	V739 F755 F780 V781 M783 A789 A792 I793 V808 S809	I737-V739 HydrophobicContact CG2-CG2 4.17Å; I737-F755 HydrophobicContact CD1-CD1 4.09Å; I737-F755 HydrophobicContact CD1-CE1 3.7Å; I737-F755 HydrophobicContact CG2-CE1 4.11Å; I737-F755 HydrophobicContact CG2-CZ 4.39Å; I737-F780 CarbonylContact O-C 3.56Å; I737-F780 VanDerWaalsContact O-CA 3.3Å; I737-F780 WeakPolarHBondContact O-CA 3.44Å; I737-V781 HydrophobicContact CB-CB 4.48Å; I737-V781 WeakPolarHBondContact CB-O 3.45Å; I737-V781 PolarHBondContact N-O 2.85Å; I737-V781 PolarHBondContact O-N 2.8Å; I737-M783 HydrophobicContact CD1-CG 3.56Å; I737-M783 HydrophobicContact CD1-SD 4.42Å; I737-M783 HydrophobicContact CG1-CG 4.32Å; I737-A789 HydrophobicContact CD1-CB 4.09Å; I737-A789 HydrophobicContact CG1-CB 4.26Å; I737-A792 HydrophobicContact CD1-CB 3.85Å; I737-I793 HydrophobicContact CD1-CG1 4.2Å; I737-I793 HydrophobicContact CG1-CD1 4.18Å; I737-I793 HydrophobicContact CG1-CG1 4.22Å; I737-I793 HydrophobicContact CG2-CD1 4.46Å; I737-I793 HydrophobicContact CG2-CG1 3.94Å; I737-V808 HydrophobicContact CG2-CG1 3.36Å; I737-S809 CarbonylContact C-O 3.6Å; I737-S809 WeakPolarHBondContact CA-O 3.34Å; I737-S809 WeakPolarHBondContact CG2-O 3.49Å
738	F	94.2	Very high	82.9	Confident	59 Å²	59	47.6 Å²	47.6	26%	0.259	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130	167.1	173.5	-117	0	0	0	108.9	Y740 F778 F780 V808 S809 K811	F738-Y740 HydrophobicContact CE1-CD2 4.33Å; F738-Y740 HydrophobicContact CE1-CG 4.27Å; F738-Y740 AromaticContact CZ-CD2 3.77Å; F738-Y740 HydrophobicContact CZ-CD2 3.77Å; F738-Y740 HydrophobicContact CZ-CG 4.15Å; F738-F778 HydrophobicContact CD2-CD2 4.43Å; F738-F778 HydrophobicContact CE2-CB 3.88Å; F738-F778 AromaticContact CE2-CD2 3.66Å; F738-F778 HydrophobicContact CE2-CD2 3.66Å; F738-F778 HydrophobicContact CE2-CE2 4.38Å; F738-F778 AromaticContact CE2-CG 3.97Å; F738-F778 HydrophobicContact CE2-CG 3.97Å; F738-F778 HydrophobicContact CZ-CB 4.31Å; F738-F780 HydrophobicContact CB-CD1 4.36Å; F738-F780 HydrophobicContact CB-CE1 4.28Å; F738-F780 HydrophobicContact CD2-CD1 4.08Å; F738-F780 AromaticContact CD2-CE1 3.52Å; F738-F780 HydrophobicContact CD2-CE1 3.52Å; F738-F780 HydrophobicContact CD2-CZ 4.02Å; F738-F780 HydrophobicContact CE2-CE1 4.31Å; F738-F780 HydrophobicContact CE2-CZ 4.38Å; F738-F780 HydrophobicContact CG-CE1 4.32Å; F738-V808 WeakPolarHBondContact O-CA 3.24Å; F738-S809 PolarHBondContact N-O 3.4Å; F738-S809 PolarHBondContact O-N 3.48Å; F738-K811 HydrophobicContact CB-CB 4.33Å
739	V	94	Very high	84.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.2	-179.7	-173.4	0	0	0	0	107.8	I737 L742 L751 F755 F778 A779 V781 Q807 V808	I737-V739 HydrophobicContact CG2-CG2 4.17Å; V739-L742 HydrophobicContact CB-CD1 4.42Å; V739-L742 HydrophobicContact CG1-CD1 4.06Å; V739-L742 HydrophobicContact CG1-CD2 3.82Å; V739-L742 HydrophobicContact CG1-CG 4Å; V739-L751 HydrophobicContact CG1-CD2 4.36Å; V739-F755 HydrophobicContact CG2-CE1 4.47Å; V739-F755 HydrophobicContact CG2-CE2 3.86Å; V739-F755 HydrophobicContact CG2-CZ 3.5Å; V739-F778 CarbonylContact O-C 3.54Å; V739-F778 WeakPolarHBondContact O-CA 3.44Å; V739-F778 VanDerWaalsContact O-CB 3.28Å; V739-F778 WeakPolarHBondContact O-CB 3.26Å; V739-A779 HydrophobicContact CB-CB 4.48Å; V739-A779 PolarHBondContact N-O 2.77Å; V739-A779 PolarHBondContact O-N 3.36Å; V739-V781 HydrophobicContact CG2-CG2 4Å; V739-Q807 CarbonylContact C-O 3.58Å; V739-Q807 WeakPolarHBondContact CA-O 3.45Å; V739-V808 HydrophobicContact CG1-CG2 4.3Å; V739-V808 HydrophobicContact CG2-CG1 4.47Å
740	Y	93.6	Very high	85.9	Confident	103 Å²	103	53.5 Å²	53.5	40%	0.404	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	162.7	-174.7	-175.7	-95	0	0	0	111.8	F738 L742 G777 F778 L806 Q807	F738-Y740 HydrophobicContact CE1-CD2 4.33Å; F738-Y740 HydrophobicContact CE1-CG 4.27Å; F738-Y740 AromaticContact CZ-CD2 3.77Å; F738-Y740 HydrophobicContact CZ-CD2 3.77Å; F738-Y740 HydrophobicContact CZ-CG 4.15Å; Y740-L742 VanDerWaalsContact C-N 3.33Å; Y740-G777 CarbonylContact C-O 3.59Å; Y740-F778 HydrophobicContact CD2-CB 3.81Å; Y740-L806 WeakPolarHBondContact O-CA 3.36Å; Y740-Q807 PolarHBondContact N-O 3.18Å; Y740-Q807 PolarHBondContact O-N 3.36Å
741	N	91.6	Very high	87.1	Confident	54 Å²	54	49 Å²	49	29%	0.289	25%	0.254	S	S	.	.	S	Bend	trans	64.3	28.7	-172.8	-161.3	29	0	0	0	114.8	G777 R804 I805	N741-G777 PolarHBondContact N-O 3.43Å; N741-R804 VanDerWaalsContact O-CB 3.3Å; N741-R804 WeakPolarHBondContact O-CB 3.19Å; N741-R804 WeakPolarHBondContact O-CD 3.47Å; N741-I805 WeakPolarHBondContact CB-O 3.5Å; N741-I805 PolarHBondContact ND2-O 3.09Å
742	L	91.1	Very high	88.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.267	C	S	.	.			trans	-63.7	152.9	172.3	-65.7	167.8	0	0	0	111.4	V739 Y740 V746 L751 G777 A779 L801 R804 L806	V739-L742 HydrophobicContact CB-CD1 4.42Å; V739-L742 HydrophobicContact CG1-CD1 4.06Å; V739-L742 HydrophobicContact CG1-CD2 3.82Å; V739-L742 HydrophobicContact CG1-CG 4Å; Y740-L742 VanDerWaalsContact C-N 3.33Å; L742-V746 HydrophobicContact CD2-CG1 4.24Å; L742-V746 HydrophobicContact CD2-CG2 4.49Å; L742-L751 HydrophobicContact CD1-CD1 4.14Å; L742-L751 HydrophobicContact CD1-CD2 4.38Å; L742-L751 HydrophobicContact CD2-CD2 3.87Å; L742-G777 PolarHBondContact N-O 3.08Å; L742-G777 WeakPolarHBondContact O-CA 3.36Å; L742-A779 HydrophobicContact CD1-CB 3.55Å; L742-L801 HydrophobicContact CD2-CD2 4.2Å; L742-R804 PolarHBondContact O-NH1 3.11Å; L742-L806 HydrophobicContact CD2-CD1 4.23Å; L742-L806 HydrophobicContact CD2-CD2 3.61Å; L742-L806 HydrophobicContact CG-CD2 4.3Å
743	S	87.7	Confident	89.5	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.035	28%	0.275	C	S	.	.			trans	-72.8	152.5	169.6	135.9	0	0	0	0	111	E745 V746 D802	S743-E745 PolarHBondContact O-N 2.93Å; S743-E745 PolarHBondContact OG-N 3.42Å; S743-E745 VanDerWaalsContact OG-N 3.08Å; S743-V746 PolarHBondContact O-N 2.63Å; S743-D802 VanDerWaalsContact CB-CB 3.43Å; S743-D802 WeakPolarHBondContact CB-OD2 3.33Å; S743-D802 PolarHBondContact OG-OD2 3.48Å
744	P	85.5	Confident	90.4	Very high	53 Å²	53	52.5 Å²	52.5	34%	0.344	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8	176.4	32.7	-36.9	0	0	0	113.5
745	E	85.5	Confident	90.9	Very high	159 Å²	159	52.3 Å²	52.3	74%	0.743	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-2	179.2	-65.7	167.9	-158.2	0	0	112	S743 E747	S743-E745 PolarHBondContact O-N 2.93Å; S743-E745 PolarHBondContact OG-N 3.42Å; S743-E745 VanDerWaalsContact OG-N 3.08Å; E745-E747 PolarHBondContact O-N 3.49Å
746	V	86.1	Confident	91.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	26%	0.26	C	S	.	.			trans	-75.3	117.1	176.4	-178.8	0	0	0	0	110.4	L742 S743 N750 L751 I766 L801 D802	L742-V746 HydrophobicContact CD2-CG1 4.24Å; L742-V746 HydrophobicContact CD2-CG2 4.49Å; S743-V746 PolarHBondContact O-N 2.63Å; V746-N750 HydrophobicContact CG1-CB 4Å; V746-L751 HydrophobicContact CG1-CD2 4.47Å; V746-L751 HydrophobicContact CG1-CG 4.1Å; V746-I766 VanDerWaalsContact O-CD1 3.31Å; V746-I766 WeakPolarHBondContact O-CD1 3.46Å; V746-L801 HydrophobicContact CG1-CD2 4.29Å; V746-L801 HydrophobicContact CG2-CD2 3.75Å; V746-L801 HydrophobicContact CG2-CG 4.36Å; V746-D802 WeakPolarHBondContact CG2-OD2 3.33Å
747	E	89.4	Confident	91.2	Very high	121 Å²	121	57.4 Å²	57.4	57%	0.565	29%	0.292	S	S	*	.			trans	-91	167.7	169.6	-61.7	-168.7	161.1	0	0	112.6	E745 S749 N750 I766	E745-E747 PolarHBondContact O-N 3.49Å; E747-S749 PolarHBondContact O-N 3.46Å; E747-N750 PolarHBondContact O-N 2.89Å; E747-I766 VanDerWaalsContact C-CD1 3.41Å
748	E	90.9	Very high	91.2	Very high	78 Å²	78	59.9 Å²	59.9	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-30.3	178	-57.1	-163.6	147.1	0	0	111.9	N750 L751 W752 I764 K765 I766	E748-N750 VanDerWaalsContact C-N 3.31Å; E748-N750 PolarHBondContact O-N 2.85Å; E748-L751 PolarHBondContact O-N 3.39Å; E748-W752 PolarHBondContact O-N 3.31Å; E748-I764 HydrophobicContact CB-CB 4.44Å; E748-I764 HydrophobicContact CB-CG2 4.07Å; E748-I764 HydrophobicContact CG-CG2 4.11Å; E748-K765 WeakPolarHBondContact OE1-CA 3.4Å; E748-I766 HydrophobicContact CB-CD1 4.43Å; E748-I766 HydrophobicContact CG-CB 4.37Å; E748-I766 HydrophobicContact CG-CD1 3.68Å; E748-I766 HydrophobicContact CG-CG1 3.88Å; E748-I766 PolarHBondContact OE1-N 3.41Å
749	S	91.3	Very high	90.9	Very high	60 Å²	60	58 Å²	58	42%	0.42	30%	0.3	S	S	.	.	H	α-helix	trans	-52.6	-43.7	170.6	-49.2	0	0	0	0	112.9	E747 W752 H753	E747-S749 PolarHBondContact O-N 3.46Å; S749-W752 WeakPolarHBondContact O-CB 3.38Å; S749-W752 PolarHBondContact O-N 3Å; S749-H753 PolarHBondContact O-N 3.04Å; S749-H753 PolarHBondContact O-ND1 3.42Å
750	N	91.3	Very high	90.8	Very high	70 Å²	70	60.7 Å²	60.7	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-72.1	-39.3	-176.1	-63.8	7.8	0	0	0	110.5	V746 E747 E748 W752 H753 L754	V746-N750 HydrophobicContact CG1-CB 4Å; E747-N750 PolarHBondContact O-N 2.89Å; E748-N750 VanDerWaalsContact C-N 3.31Å; E748-N750 PolarHBondContact O-N 2.85Å; N750-W752 VanDerWaalsContact C-N 3.33Å; N750-H753 PolarHBondContact O-N 3.47Å; N750-L754 WeakPolarHBondContact O-CB 3.5Å; N750-L754 PolarHBondContact O-N 3Å
751	L	92.5	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-34.2	173.3	-68.7	175.8	0	0	0	112	V739 L742 V746 E748 L754 F755 I764 I766 A779	V739-L751 HydrophobicContact CG1-CD2 4.36Å; L742-L751 HydrophobicContact CD1-CD1 4.14Å; L742-L751 HydrophobicContact CD1-CD2 4.38Å; L742-L751 HydrophobicContact CD2-CD2 3.87Å; V746-L751 HydrophobicContact CG1-CD2 4.47Å; V746-L751 HydrophobicContact CG1-CG 4.1Å; E748-L751 PolarHBondContact O-N 3.39Å; L751-L754 PolarHBondContact O-N 2.97Å; L751-F755 HydrophobicContact CD2-CD2 4.47Å; L751-F755 HydrophobicContact CD2-CE2 4.16Å; L751-F755 WeakPolarHBondContact O-CB 3.4Å; L751-F755 WeakPolarHBondContact O-CD2 3.25Å; L751-F755 PolarHBondContact O-N 3.05Å; L751-I764 HydrophobicContact CB-CD1 3.78Å; L751-I764 HydrophobicContact CB-CG2 4.08Å; L751-I764 HydrophobicContact CD1-CG2 3.77Å; L751-I766 HydrophobicContact CD1-CD1 3.9Å; L751-I766 HydrophobicContact CD1-CG1 3.72Å; L751-A779 HydrophobicContact CD1-CB 3.53Å
752	W	92.9	Very high	90.8	Very high	124 Å²	124	57.9 Å²	57.9	47%	0.47	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-47.5	174.6	-117.2	114.7	0	0	0	111.9	E748 S749 N750 L754 G756 V761 I764	E748-W752 PolarHBondContact O-N 3.31Å; S749-W752 WeakPolarHBondContact O-CB 3.38Å; S749-W752 PolarHBondContact O-N 3Å; N750-W752 VanDerWaalsContact C-N 3.33Å; W752-L754 VanDerWaalsContact C-N 3.33Å; W752-L754 PolarHBondContact O-N 2.79Å; W752-G756 WeakPolarHBondContact O-CA 3.19Å; W752-G756 PolarHBondContact O-N 3.48Å; W752-V761 HydrophobicContact CD2-CB 4.25Å; W752-V761 HydrophobicContact CE3-CB 4.08Å; W752-V761 HydrophobicContact CE3-CG2 4.22Å; W752-V761 HydrophobicContact CH2-CB 3.75Å; W752-V761 WeakPolarHBondContact CH2-O 3.3Å; W752-V761 HydrophobicContact CZ2-CB 3.9Å; W752-V761 HydrophobicContact CZ2-CG1 4.33Å; W752-V761 WeakPolarHBondContact CZ2-O 3.25Å; W752-V761 HydrophobicContact CZ3-CB 3.84Å; W752-V761 HydrophobicContact CZ3-CG2 4.2Å; W752-I764 HydrophobicContact CB-CD1 3.91Å; W752-I764 VanDerWaalsContact CD1-CD1 3.43Å; W752-I764 HydrophobicContact CD2-CD1 4.42Å; W752-I764 HydrophobicContact CG-CD1 3.66Å; W752-I764 VanDerWaalsContact N-CD1 3.32Å
753	H	92.1	Very high	90.7	Very high	154 Å²	154	60 Å²	60	71%	0.713	33%	0.327	S	S	*	.	H	α-helix	trans	-67.8	-31.9	176.3	-68.6	89.4	0	0	0	112.7	S749 N750 P757	S749-H753 PolarHBondContact O-N 3.04Å; S749-H753 PolarHBondContact O-ND1 3.42Å; N750-H753 PolarHBondContact O-N 3.47Å; H753-P757 VanDerWaalsContact O-CD 3.22Å; H753-P757 WeakPolarHBondContact O-CD 3.25Å
754	L	92.8	Very high	91	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.131	33%	0.33	C	S	.	.	H	α-helix	trans	-75.3	-37	179.5	-169.9	65.7	0	0	0	113	N750 L751 W752 F758 L796 Y799 L806	N750-L754 WeakPolarHBondContact O-CB 3.5Å; N750-L754 PolarHBondContact O-N 3Å; L751-L754 PolarHBondContact O-N 2.97Å; W752-L754 VanDerWaalsContact C-N 3.33Å; W752-L754 PolarHBondContact O-N 2.79Å; L754-F758 WeakPolarHBondContact O-CE2 3.39Å; L754-L796 HydrophobicContact CD1-CD2 3.62Å; L754-L796 HydrophobicContact CD2-CD1 4.44Å; L754-L796 HydrophobicContact CD2-CD2 4.22Å; L754-L796 HydrophobicContact CG-CD1 3.99Å; L754-L796 HydrophobicContact CG-CD2 3.7Å; L754-L796 HydrophobicContact CG-CG 4.49Å; L754-Y799 HydrophobicContact CD1-CD1 4.11Å; L754-Y799 HydrophobicContact CD1-CE1 3.75Å; L754-Y799 HydrophobicContact CD1-CE2 4.36Å; L754-Y799 HydrophobicContact CD2-CD1 4.44Å; L754-L806 HydrophobicContact CD2-CD1 3.75Å
755	F	94.2	Very high	91.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-93.9	-26.8	-178.2	-80.4	-97.3	0	0	0	114.2	I737 V739 L751 P757 F758 V761 V781 M783 A792 L796 V808	I737-F755 HydrophobicContact CD1-CD1 4.09Å; I737-F755 HydrophobicContact CD1-CE1 3.7Å; I737-F755 HydrophobicContact CG2-CE1 4.11Å; I737-F755 HydrophobicContact CG2-CZ 4.39Å; V739-F755 HydrophobicContact CG2-CE1 4.47Å; V739-F755 HydrophobicContact CG2-CE2 3.86Å; V739-F755 HydrophobicContact CG2-CZ 3.5Å; L751-F755 HydrophobicContact CD2-CD2 4.47Å; L751-F755 HydrophobicContact CD2-CE2 4.16Å; L751-F755 WeakPolarHBondContact O-CB 3.4Å; L751-F755 WeakPolarHBondContact O-CD2 3.25Å; L751-F755 PolarHBondContact O-N 3.05Å; F755-P757 VanDerWaalsContact C-CD 3.43Å; F755-F758 PolarHBondContact O-N 2.82Å; F755-V761 HydrophobicContact CB-CG2 3.72Å; F755-V781 HydrophobicContact CB-CG1 4.1Å; F755-V781 HydrophobicContact CD1-CB 4.33Å; F755-V781 HydrophobicContact CD1-CG1 3.84Å; F755-V781 HydrophobicContact CD2-CG1 4.37Å; F755-V781 HydrophobicContact CD2-CG2 4.05Å; F755-V781 HydrophobicContact CE1-CB 4.41Å; F755-V781 HydrophobicContact CE1-CG1 4.41Å; F755-V781 HydrophobicContact CE2-CG2 4.04Å; F755-V781 HydrophobicContact CG-CB 4.45Å; F755-V781 HydrophobicContact CG-CG1 3.83Å; F755-V781 HydrophobicContact CG-CG2 4.34Å; F755-V781 HydrophobicContact CZ-CG2 4.31Å; F755-M783 HydrophobicContact CB-SD 4.34Å; F755-M783 HydrophobicContact CD1-SD 4.12Å; F755-A792 HydrophobicContact CD1-CB 3.84Å; F755-A792 HydrophobicContact CE1-CB 3.95Å; F755-L796 HydrophobicContact CD1-CD1 3.8Å; F755-L796 HydrophobicContact CD2-CD1 3.83Å; F755-L796 HydrophobicContact CE1-CD1 3.58Å; F755-L796 HydrophobicContact CE2-CD1 3.62Å; F755-L796 HydrophobicContact CG-CD1 3.91Å; F755-L796 HydrophobicContact CZ-CD1 3.48Å; F755-L796 VanDerWaalsContact CZ-CD1 3.48Å; F755-V808 HydrophobicContact CE1-CG1 4.31Å; F755-V808 HydrophobicContact CZ-CG1 4.03Å
756	G	91.9	Very high	91.6	Very high	30 Å²	30	57.2 Å²	57.2	31%	0.309	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-52.5	-38.1	-179.4	0	0	0	0	0	116.1	W752 F758 G759	W752-G756 WeakPolarHBondContact O-CA 3.19Å; W752-G756 PolarHBondContact O-N 3.48Å; G756-F758 PolarHBondContact O-N 2.97Å; G756-F758 VanDerWaalsContact O-N 3.15Å; G756-G759 PolarHBondContact O-N 2.93Å
757	P	93.1	Very high	91.7	Very high	106 Å²	106	59 Å²	59	69%	0.688	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-62.1	-18.2	176.2	-26.6	36.3	0	0	0	115.1	H753 F755	H753-P757 VanDerWaalsContact O-CD 3.22Å; H753-P757 WeakPolarHBondContact O-CD 3.25Å; F755-P757 VanDerWaalsContact C-CD 3.43Å
758	F	93.4	Very high	91.6	Very high	52 Å²	52	57.8 Å²	57.8	23%	0.228	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-97.6	-10.8	-177.6	-58	-76.2	0	0	0	113.9	L754 F755 G756 M783 E788 L791 A792 S795 L796	L754-F758 WeakPolarHBondContact O-CE2 3.39Å; F755-F758 PolarHBondContact O-N 2.82Å; G756-F758 PolarHBondContact O-N 2.97Å; G756-F758 VanDerWaalsContact O-N 3.15Å; F758-M783 HydrophobicContact CB-CE 4.33Å; F758-E788 WeakPolarHBondContact O-CA 3.09Å; F758-E788 VanDerWaalsContact O-CB 3.28Å; F758-E788 WeakPolarHBondContact O-CB 3.31Å; F758-E788 WeakPolarHBondContact O-CG 3.37Å; F758-L791 HydrophobicContact CD1-CB 4.3Å; F758-A792 HydrophobicContact CB-CB 3.73Å; F758-A792 HydrophobicContact CD2-CB 4.14Å; F758-A792 HydrophobicContact CG-CB 3.92Å; F758-S795 WeakPolarHBondContact CE1-OG 3.4Å; F758-S795 VanDerWaalsContact CZ-CB 3.44Å; F758-L796 HydrophobicContact CD2-CD1 4.06Å; F758-L796 HydrophobicContact CD2-CG 4.42Å; F758-L796 HydrophobicContact CE2-CD1 3.78Å; F758-L796 HydrophobicContact CE2-CD2 3.86Å; F758-L796 HydrophobicContact CE2-CG 3.74Å; F758-L796 HydrophobicContact CZ-CD2 4.26Å; F758-L796 HydrophobicContact CZ-CG 4.21Å
759	G	89.1	Confident	91.1	Very high	19 Å²	19	56.4 Å²	56.4	20%	0.196	30%	0.302	C	S	.	.	S	Bend	trans	154.7	-178.7	-178.6	0	0	0	0	0	114.3	G756 V761	G756-G759 PolarHBondContact O-N 2.93Å; G759-V761 PolarHBondContact O-N 3.28Å
760	A	90.8	Very high	90.5	Very high	57 Å²	57	61 Å²	61	47%	0.471	32%	0.321	S	S	.	.			trans	-77.5	106.3	-177.4	0	0	0	0	0	111.1	Q762 S784 E788	A760-Q762 PolarHBondContact O-N 3.18Å; A760-S784 WeakPolarHBondContact O-CB 3.18Å; A760-S784 PolarHBondContact O-N 2.76Å; A760-E788 PolarHBondContact N-OE2 3.37Å; A760-E788 VanDerWaalsContact N-OE2 3.13Å
761	V	92.5	Very high	90	Very high	10 Å²	10	63 Å²	63	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.8	172.7	-175.5	0	0	0	0	109.4	W752 F755 G759 I764 V781 M783	W752-V761 HydrophobicContact CD2-CB 4.25Å; W752-V761 HydrophobicContact CE3-CB 4.08Å; W752-V761 HydrophobicContact CE3-CG2 4.22Å; W752-V761 HydrophobicContact CH2-CB 3.75Å; W752-V761 WeakPolarHBondContact CH2-O 3.3Å; W752-V761 HydrophobicContact CZ2-CB 3.9Å; W752-V761 HydrophobicContact CZ2-CG1 4.33Å; W752-V761 WeakPolarHBondContact CZ2-O 3.25Å; W752-V761 HydrophobicContact CZ3-CB 3.84Å; W752-V761 HydrophobicContact CZ3-CG2 4.2Å; F755-V761 HydrophobicContact CB-CG2 3.72Å; G759-V761 PolarHBondContact O-N 3.28Å; V761-I764 HydrophobicContact CG1-CD1 4.07Å; V761-I764 HydrophobicContact CG1-CG1 3.62Å; V761-V781 HydrophobicContact CG1-CG1 3.81Å; V761-V781 HydrophobicContact CG2-CG1 4.34Å; V761-M783 HydrophobicContact CG2-CE 4.39Å; V761-M783 HydrophobicContact CG2-SD 3.83Å
762	Q	91.9	Very high	89.3	Confident	88 Å²	88	68 Å²	68	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-35.5	178.3	-62.1	-178.5	-17.8	0	0	113	N733 A760 T782	N733-Q762 VanDerWaalsContact CB-OE1 3.27Å; N733-Q762 PolarHBondContact O-NE2 3.18Å; N733-Q762 PolarHBondContact O-OE1 3.24Å; A760-Q762 PolarHBondContact O-N 3.18Å; Q762-T782 WeakPolarHBondContact CB-O 3.33Å; Q762-T782 PolarHBondContact N-O 2.68Å
763	S	90.5	Very high	88.4	Confident	46 Å²	46	68.5 Å²	68.5	32%	0.322	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	145	179.6	51	0	0	0	0	110.9	T782	S763-T782 PolarHBondContact O-N 3.21Å; S763-T782 VanDerWaalsContact OG-CB 3.3Å; S763-T782 WeakPolarHBondContact OG-CB 3.46Å; S763-T782 PolarHBondContact OG-OG1 3.43Å
764	I	92.7	Very high	87.5	Confident	21 Å²	21	67.9 Å²	67.9	11%	0.108	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.7	168.8	-57.1	-174.8	0	0	0	106.5	E748 L751 W752 V761 F780 V781	E748-I764 HydrophobicContact CB-CB 4.44Å; E748-I764 HydrophobicContact CB-CG2 4.07Å; E748-I764 HydrophobicContact CG-CG2 4.11Å; L751-I764 HydrophobicContact CB-CD1 3.78Å; L751-I764 HydrophobicContact CB-CG2 4.08Å; L751-I764 HydrophobicContact CD1-CG2 3.77Å; W752-I764 HydrophobicContact CB-CD1 3.91Å; W752-I764 VanDerWaalsContact CD1-CD1 3.43Å; W752-I764 HydrophobicContact CD2-CD1 4.42Å; W752-I764 HydrophobicContact CG-CD1 3.66Å; W752-I764 VanDerWaalsContact N-CD1 3.32Å; V761-I764 HydrophobicContact CG1-CD1 4.07Å; V761-I764 HydrophobicContact CG1-CG1 3.62Å; I764-F780 CarbonylContact C-O 3.59Å; I764-F780 WeakPolarHBondContact CA-O 3.48Å; I764-V781 HydrophobicContact CG1-CG1 4.43Å; I764-V781 HydrophobicContact CG1-CG2 4.42Å; I764-V781 HydrophobicContact CG2-CG2 4.43Å
765	K	91.7	Very high	86.9	Confident	131 Å²	131	67.5 Å²	67.5	57%	0.57	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	98.2	174	-175.7	173.9	-175.5	167.9	0	110.1	E748 I767 A779 F780	E748-K765 WeakPolarHBondContact OE1-CA 3.4Å; K765-I767 HydrophobicContact CD-CD1 4.21Å; K765-I767 HydrophobicContact CG-CD1 3.99Å; K765-A779 CarbonylContact O-C 3.6Å; K765-A779 VanDerWaalsContact O-CA 3.31Å; K765-A779 WeakPolarHBondContact O-CA 3Å; K765-F780 PolarHBondContact N-O 3.26Å; K765-F780 PolarHBondContact O-N 3.38Å
766	I	91.9	Very high	86.4	Confident	8 Å²	8	72 Å²	72	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.7	169.5	-64.3	175.1	0	0	0	109.1	V746 E747 E748 L751 Y768 C775 A779	V746-I766 VanDerWaalsContact O-CD1 3.31Å; V746-I766 WeakPolarHBondContact O-CD1 3.46Å; E747-I766 VanDerWaalsContact C-CD1 3.41Å; E748-I766 HydrophobicContact CB-CD1 4.43Å; E748-I766 HydrophobicContact CG-CB 4.37Å; E748-I766 HydrophobicContact CG-CD1 3.68Å; E748-I766 HydrophobicContact CG-CG1 3.88Å; E748-I766 PolarHBondContact OE1-N 3.41Å; L751-I766 HydrophobicContact CD1-CD1 3.9Å; L751-I766 HydrophobicContact CD1-CG1 3.72Å; I766-Y768 HydrophobicContact CB-CD2 4.46Å; I766-Y768 HydrophobicContact CB-CE2 3.65Å; I766-Y768 HydrophobicContact CG2-CD2 4.14Å; I766-Y768 HydrophobicContact CG2-CE1 4.06Å; I766-Y768 HydrophobicContact CG2-CE2 3.6Å; I766-Y768 WeakPolarHBondContact O-CD2 3.4Å; I766-C775 HydrophobicContact CG2-CB 4Å; I766-A779 HydrophobicContact CB-CB 4.4Å; I766-A779 HydrophobicContact CG1-CB 3.8Å
767	I	89.8	Confident	86.3	Confident	39 Å²	39	71 Å²	71	20%	0.2	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.4	176.5	-56.7	-56.6	0	0	0	109.5	K765 K776 F778 F780	K765-I767 HydrophobicContact CD-CD1 4.21Å; K765-I767 HydrophobicContact CG-CD1 3.99Å; I767-K776 HydrophobicContact CG2-CD 3.99Å; I767-K776 HydrophobicContact CG2-CG 4.29Å; I767-K776 WeakPolarHBondContact O-CB 3.47Å; I767-K776 WeakPolarHBondContact O-CG 3.49Å; I767-K776 PolarHBondContact O-N 3.18Å; I767-F778 HydrophobicContact CB-CD2 4.04Å; I767-F778 HydrophobicContact CB-CE1 4.46Å; I767-F778 HydrophobicContact CB-CE2 3.67Å; I767-F778 HydrophobicContact CB-CZ 3.89Å; I767-F778 HydrophobicContact CG1-CD2 3.9Å; I767-F778 HydrophobicContact CG1-CE2 3.48Å; I767-F778 VanDerWaalsContact CG1-CE2 3.48Å; I767-F778 HydrophobicContact CG1-CZ 4.15Å; I767-F778 HydrophobicContact CG2-CE1 4.39Å; I767-F778 HydrophobicContact CG2-CE2 4.01Å; I767-F778 HydrophobicContact CG2-CZ 3.77Å; I767-F778 PolarHBondContact N-O 3.26Å; I767-F780 HydrophobicContact CD1-CD2 4.31Å; I767-F780 HydrophobicContact CD1-CE2 4.23Å; I767-F780 HydrophobicContact CG1-CD2 4.13Å; I767-F780 HydrophobicContact CG1-CE2 3.86Å
768	Y	86.9	Confident	86.2	Confident	96 Å²	96	68.2 Å²	68.2	38%	0.376	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	158.1	178.4	-58.9	-95.3	0	0	0	111.6	I766 K774 C775 K776	I766-Y768 HydrophobicContact CB-CD2 4.46Å; I766-Y768 HydrophobicContact CB-CE2 3.65Å; I766-Y768 HydrophobicContact CG2-CD2 4.14Å; I766-Y768 HydrophobicContact CG2-CE1 4.06Å; I766-Y768 HydrophobicContact CG2-CE2 3.6Å; I766-Y768 WeakPolarHBondContact O-CD2 3.4Å; Y768-K774 CarbonylContact C-O 3.6Å; Y768-K774 WeakPolarHBondContact CA-O 3.41Å; Y768-C775 HydrophobicContact CD1-CB 4.49Å; Y768-C775 WeakPolarHBondContact CE1-SG 3.41Å; Y768-K776 VanDerWaalsContact O-CE 3.23Å; Y768-K776 WeakPolarHBondContact O-CE 3.39Å
769	D	80.5	Confident	86.3	Confident	48 Å²	48	65.8 Å²	65.8	26%	0.257	34%	0.344	S	S	.	.			trans	-91.8	116.3	173.8	-162.2	34.7	0	0	0	111.8	T771 N772 N773 K774 K776	D769-T771 PolarHBondContact O-N 2.89Å; D769-T771 VanDerWaalsContact O-N 3.09Å; D769-T771 PolarHBondContact OD2-OG1 3.27Å; D769-N772 PolarHBondContact O-N 3.33Å; D769-N772 PolarHBondContact OD2-ND2 3.02Å; D769-N772 VanDerWaalsContact OD2-ND2 3.08Å; D769-N773 PolarHBondContact O-N 3.15Å; D769-K774 PolarHBondContact N-O 3.02Å; D769-K776 VanDerWaalsContact CA-CE 3.47Å; D769-K776 HydrophobicContact CB-CG 4.03Å; D769-K776 WeakPolarHBondContact OD1-CE 3.49Å; D769-K776 IonicContact OD1-NZ 3.66Å; D769-K776 PolarHBondContact OD1-NZ 3.25Å
770	I	77.2	Confident	86.5	Confident	157 Å²	157	67 Å²	67	81%	0.805	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.4	-166.1	-60.6	165.6	0	0	0	112.4
771	T	81.2	Confident	86.7	Confident	112 Å²	112	64.3 Å²	64.3	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-23.7	177.8	47.7	0	0	0	0	114.1	D769	D769-T771 PolarHBondContact O-N 2.89Å; D769-T771 VanDerWaalsContact O-N 3.09Å; D769-T771 PolarHBondContact OD2-OG1 3.27Å
772	N	79.1	Confident	86.7	Confident	105 Å²	105	64.4 Å²	64.4	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-10.3	-166.3	-67.6	-53.6	0	0	0	114	D769 K774	D769-N772 PolarHBondContact O-N 3.33Å; D769-N772 PolarHBondContact OD2-ND2 3.02Å; D769-N772 VanDerWaalsContact OD2-ND2 3.08Å; N772-K774 PolarHBondContact O-N 3.31Å
773	N	73.2	Confident	86.7	Confident	135 Å²	135	60.2 Å²	60.2	72%	0.722	30%	0.303	S	S	*	.			trans	53.8	15.3	-171.9	-70	-6.1	0	0	0	115.9	D769	D769-N773 PolarHBondContact O-N 3.15Å
774	K	74	Confident	86.7	Confident	140 Å²	140	60.3 Å²	60.3	61%	0.609	30%	0.304	S	S	*	.	S	Bend	trans	-92.6	147.7	175.6	-62.8	-171	178.6	-169.9	0	111.2	Y768 D769 N772 K776	Y768-K774 CarbonylContact C-O 3.6Å; Y768-K774 WeakPolarHBondContact CA-O 3.41Å; D769-K774 PolarHBondContact N-O 3.02Å; N772-K774 PolarHBondContact O-N 3.31Å; K774-K776 PolarHBondContact O-N 3.31Å
775	C	78.9	Confident	86.5	Confident	17 Å²	17	62 Å²	62	12%	0.115	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	136.9	172.5	-46.9	0	0	0	0	110.2	I766 Y768 G777	I766-C775 HydrophobicContact CG2-CB 4Å; Y768-C775 HydrophobicContact CD1-CB 4.49Å; Y768-C775 WeakPolarHBondContact CE1-SG 3.41Å; C775-G777 PolarHBondContact O-N 2.69Å
776	K	85.1	Confident	86.4	Confident	96 Å²	96	58.2 Å²	58.2	42%	0.417	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	12.4	174.1	-63.6	-160.9	-179.6	-133.9	0	113.6	I767 Y768 D769 K774 F778	I767-K776 HydrophobicContact CG2-CD 3.99Å; I767-K776 HydrophobicContact CG2-CG 4.29Å; I767-K776 WeakPolarHBondContact O-CB 3.47Å; I767-K776 WeakPolarHBondContact O-CG 3.49Å; I767-K776 PolarHBondContact O-N 3.18Å; Y768-K776 VanDerWaalsContact O-CE 3.23Å; Y768-K776 WeakPolarHBondContact O-CE 3.39Å; D769-K776 VanDerWaalsContact CA-CE 3.47Å; D769-K776 HydrophobicContact CB-CG 4.03Å; D769-K776 WeakPolarHBondContact OD1-CE 3.49Å; D769-K776 IonicContact OD1-NZ 3.66Å; D769-K776 PolarHBondContact OD1-NZ 3.25Å; K774-K776 PolarHBondContact O-N 3.31Å; K776-F778 VanDerWaalsContact C-N 3.27Å; K776-F778 HydrophobicContact CB-CD1 3.63Å; K776-F778 HydrophobicContact CB-CE1 3.49Å; K776-F778 VanDerWaalsContact CB-CE1 3.49Å; K776-F778 HydrophobicContact CB-CZ 4.46Å; K776-F778 HydrophobicContact CD-CE1 4.02Å; K776-F778 HydrophobicContact CD-CZ 4.47Å; K776-F778 HydrophobicContact CG-CE1 4.33Å; K776-F778 WeakPolarHBondContact O-CD1 3.47Å; K776-F778 PolarHBondContact O-N 3.06Å
777	G	87.9	Confident	86.2	Confident	9 Å²	9	62.7 Å²	62.7	9%	0.093	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	17.7	-171.3	0	0	0	0	0	114.1	Y740 N741 L742 C775	Y740-G777 CarbonylContact C-O 3.59Å; N741-G777 PolarHBondContact N-O 3.43Å; L742-G777 PolarHBondContact N-O 3.08Å; L742-G777 WeakPolarHBondContact O-CA 3.36Å; C775-G777 PolarHBondContact O-N 2.69Å
778	F	92.9	Very high	86.3	Confident	47 Å²	47	62.8 Å²	62.8	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.4	176.8	73.6	-93.2	0	0	0	115.3	F738 V739 Y740 I767 K776 F780	F738-F778 HydrophobicContact CD2-CD2 4.43Å; F738-F778 HydrophobicContact CE2-CB 3.88Å; F738-F778 AromaticContact CE2-CD2 3.66Å; F738-F778 HydrophobicContact CE2-CD2 3.66Å; F738-F778 HydrophobicContact CE2-CE2 4.38Å; F738-F778 AromaticContact CE2-CG 3.97Å; F738-F778 HydrophobicContact CE2-CG 3.97Å; F738-F778 HydrophobicContact CZ-CB 4.31Å; V739-F778 CarbonylContact O-C 3.54Å; V739-F778 WeakPolarHBondContact O-CA 3.44Å; V739-F778 VanDerWaalsContact O-CB 3.28Å; V739-F778 WeakPolarHBondContact O-CB 3.26Å; Y740-F778 HydrophobicContact CD2-CB 3.81Å; I767-F778 HydrophobicContact CB-CD2 4.04Å; I767-F778 HydrophobicContact CB-CE1 4.46Å; I767-F778 HydrophobicContact CB-CE2 3.67Å; I767-F778 HydrophobicContact CB-CZ 3.89Å; I767-F778 HydrophobicContact CG1-CD2 3.9Å; I767-F778 HydrophobicContact CG1-CE2 3.48Å; I767-F778 VanDerWaalsContact CG1-CE2 3.48Å; I767-F778 HydrophobicContact CG1-CZ 4.15Å; I767-F778 HydrophobicContact CG2-CE1 4.39Å; I767-F778 HydrophobicContact CG2-CE2 4.01Å; I767-F778 HydrophobicContact CG2-CZ 3.77Å; I767-F778 PolarHBondContact N-O 3.26Å; K776-F778 VanDerWaalsContact C-N 3.27Å; K776-F778 HydrophobicContact CB-CD1 3.63Å; K776-F778 HydrophobicContact CB-CE1 3.49Å; K776-F778 VanDerWaalsContact CB-CE1 3.49Å; K776-F778 HydrophobicContact CB-CZ 4.46Å; K776-F778 HydrophobicContact CD-CE1 4.02Å; K776-F778 HydrophobicContact CD-CZ 4.47Å; K776-F778 HydrophobicContact CG-CE1 4.33Å; K776-F778 WeakPolarHBondContact O-CD1 3.47Å; K776-F778 PolarHBondContact O-N 3.06Å; F778-F780 HydrophobicContact CD2-CE2 4.2Å; F778-F780 HydrophobicContact CD2-CZ 4.36Å; F778-F780 AromaticContact CE2-CE2 3.96Å; F778-F780 HydrophobicContact CE2-CE2 3.96Å; F778-F780 HydrophobicContact CE2-CZ 4.15Å
779	A	94	Very high	86.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167.3	-178.5	0	0	0	0	0	111.5	V739 L742 L751 K765 I766	V739-A779 HydrophobicContact CB-CB 4.48Å; V739-A779 PolarHBondContact N-O 2.77Å; V739-A779 PolarHBondContact O-N 3.36Å; L742-A779 HydrophobicContact CD1-CB 3.55Å; L751-A779 HydrophobicContact CD1-CB 3.53Å; K765-A779 CarbonylContact O-C 3.6Å; K765-A779 VanDerWaalsContact O-CA 3.31Å; K765-A779 WeakPolarHBondContact O-CA 3Å; I766-A779 HydrophobicContact CB-CB 4.4Å; I766-A779 HydrophobicContact CG1-CB 3.8Å
780	F	94.5	Very high	87.1	Confident	46 Å²	46	58.4 Å²	58.4	20%	0.202	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.6	168	-60.1	-78.2	0	0	0	109.4	I737 F738 I764 K765 I767 F778 K811	I737-F780 CarbonylContact O-C 3.56Å; I737-F780 VanDerWaalsContact O-CA 3.3Å; I737-F780 WeakPolarHBondContact O-CA 3.44Å; F738-F780 HydrophobicContact CB-CD1 4.36Å; F738-F780 HydrophobicContact CB-CE1 4.28Å; F738-F780 HydrophobicContact CD2-CD1 4.08Å; F738-F780 AromaticContact CD2-CE1 3.52Å; F738-F780 HydrophobicContact CD2-CE1 3.52Å; F738-F780 HydrophobicContact CD2-CZ 4.02Å; F738-F780 HydrophobicContact CE2-CE1 4.31Å; F738-F780 HydrophobicContact CE2-CZ 4.38Å; F738-F780 HydrophobicContact CG-CE1 4.32Å; I764-F780 CarbonylContact C-O 3.59Å; I764-F780 WeakPolarHBondContact CA-O 3.48Å; K765-F780 PolarHBondContact N-O 3.26Å; K765-F780 PolarHBondContact O-N 3.38Å; I767-F780 HydrophobicContact CD1-CD2 4.31Å; I767-F780 HydrophobicContact CD1-CE2 4.23Å; I767-F780 HydrophobicContact CG1-CD2 4.13Å; I767-F780 HydrophobicContact CG1-CE2 3.86Å; F778-F780 HydrophobicContact CD2-CE2 4.2Å; F778-F780 HydrophobicContact CD2-CZ 4.36Å; F778-F780 AromaticContact CE2-CE2 3.96Å; F778-F780 HydrophobicContact CE2-CE2 3.96Å; F778-F780 HydrophobicContact CE2-CZ 4.15Å; F780-K811 HydrophobicContact CD1-CB 4.46Å; F780-K811 HydrophobicContact CD1-CD 3.83Å; F780-K811 HydrophobicContact CD1-CG 4.19Å; F780-K811 HydrophobicContact CE1-CD 3.87Å; F780-K811 HydrophobicContact CE1-CG 3.92Å
781	V	94	Very high	87.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.4	176.8	-179.8	0	0	0	0	107.9	C736 I737 V739 F755 V761 I764 M783	C736-V781 WeakPolarHBondContact CA-O 3.43Å; I737-V781 HydrophobicContact CB-CB 4.48Å; I737-V781 WeakPolarHBondContact CB-O 3.45Å; I737-V781 PolarHBondContact N-O 2.85Å; I737-V781 PolarHBondContact O-N 2.8Å; V739-V781 HydrophobicContact CG2-CG2 4Å; F755-V781 HydrophobicContact CB-CG1 4.1Å; F755-V781 HydrophobicContact CD1-CB 4.33Å; F755-V781 HydrophobicContact CD1-CG1 3.84Å; F755-V781 HydrophobicContact CD2-CG1 4.37Å; F755-V781 HydrophobicContact CD2-CG2 4.05Å; F755-V781 HydrophobicContact CE1-CB 4.41Å; F755-V781 HydrophobicContact CE1-CG1 4.41Å; F755-V781 HydrophobicContact CE2-CG2 4.04Å; F755-V781 HydrophobicContact CG-CB 4.45Å; F755-V781 HydrophobicContact CG-CG1 3.83Å; F755-V781 HydrophobicContact CG-CG2 4.34Å; F755-V781 HydrophobicContact CZ-CG2 4.31Å; V761-V781 HydrophobicContact CG1-CG1 3.81Å; V761-V781 HydrophobicContact CG2-CG1 4.34Å; I764-V781 HydrophobicContact CG1-CG1 4.43Å; I764-V781 HydrophobicContact CG1-CG2 4.42Å; I764-V781 HydrophobicContact CG2-CG2 4.43Å; V781-M783 HydrophobicContact CG1-SD 4.07Å
782	T	93.4	Very high	88.5	Confident	12 Å²	12	50.6 Å²	50.6	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109.4	179.9	-46	0	0	0	0	109.4	W735 Q762 S763	W735-T782 WeakPolarHBondContact O-CA 2.99Å; Q762-T782 WeakPolarHBondContact CB-O 3.33Å; Q762-T782 PolarHBondContact N-O 2.68Å; S763-T782 PolarHBondContact O-N 3.21Å; S763-T782 VanDerWaalsContact OG-CB 3.3Å; S763-T782 WeakPolarHBondContact OG-CB 3.46Å; S763-T782 PolarHBondContact OG-OG1 3.43Å
783	M	91.7	Very high	89.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	154.6	175.4	-57.8	-59.4	-71.6	0	0	111	G734 W735 I737 F755 F758 V761 V781 E788 A789	G734-M783 CarbonylContact C-O 3.55Å; G734-M783 WeakPolarHBondContact CA-O 3.36Å; W735-M783 PolarHBondContact N-O 2.65Å; W735-M783 PolarHBondContact O-N 2.83Å; I737-M783 HydrophobicContact CD1-CG 3.56Å; I737-M783 HydrophobicContact CD1-SD 4.42Å; I737-M783 HydrophobicContact CG1-CG 4.32Å; F755-M783 HydrophobicContact CB-SD 4.34Å; F755-M783 HydrophobicContact CD1-SD 4.12Å; F758-M783 HydrophobicContact CB-CE 4.33Å; V761-M783 HydrophobicContact CG2-CE 4.39Å; V761-M783 HydrophobicContact CG2-SD 3.83Å; V781-M783 HydrophobicContact CG1-SD 4.07Å; M783-E788 HydrophobicContact CE-CB 4.12Å; M783-A789 HydrophobicContact CB-CB 4Å; M783-A789 HydrophobicContact CG-CB 4.01Å
784	S	89.7	Confident	90	Very high	48 Å²	48	48.1 Å²	48.1	34%	0.336	24%	0.237	S	C	.	.	S	Bend	trans	-67.4	-37.7	179	85.7	0	0	0	0	113.2	A760 E788	A760-S784 WeakPolarHBondContact O-CB 3.18Å; A760-S784 PolarHBondContact O-N 2.76Å; S784-E788 PolarHBondContact OG-OE1 3.17Å; S784-E788 PolarHBondContact OG-OE2 3.01Å
785	N	88.8	Confident	90.9	Very high	57 Å²	57	44.6 Å²	44.6	31%	0.305	23%	0.23	S	C	.	.	S	Bend	trans	-128.7	156.4	-168.7	-167.7	3.6	0	0	0	111.8	E788 A789	N785-E788 HydrophobicContact CB-CB 4.16Å; N785-E788 VanDerWaalsContact CB-CD 3.47Å; N785-E788 HydrophobicContact CB-CG 3.81Å; N785-E788 PolarHBondContact N-OE2 3.23Å; N785-A789 WeakPolarHBondContact O-CB 3.47Å; N785-A789 PolarHBondContact O-N 2.86Å; N785-A789 VanDerWaalsContact O-N 3.16Å
786	Y	89	Confident	91.6	Very high	50 Å²	50	44 Å²	44	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-44.6	179.2	-179.3	-116	0	0	0	111.5	W735 E788 A789 V790 F810	W735-Y786 VanDerWaalsContact CD1-N 3.28Å; W735-Y786 AromaticContact CD2-CD2 3.79Å; W735-Y786 HydrophobicContact CD2-CD2 3.79Å; W735-Y786 HydrophobicContact CD2-CG 4.38Å; W735-Y786 AromaticContact CE3-CD2 3.53Å; W735-Y786 HydrophobicContact CE3-CD2 3.53Å; W735-Y786 HydrophobicContact CE3-CE2 4.2Å; W735-Y786 HydrophobicContact CE3-CG 4.48Å; W735-Y786 AromaticContact CH2-CD2 3.81Å; W735-Y786 HydrophobicContact CH2-CD2 3.81Å; W735-Y786 HydrophobicContact CH2-CE2 4.44Å; W735-Y786 HydrophobicContact CH2-CG 4.29Å; W735-Y786 HydrophobicContact CZ2-CD2 4.08Å; W735-Y786 HydrophobicContact CZ2-CG 4.21Å; W735-Y786 AromaticContact CZ3-CD2 3.53Å; W735-Y786 HydrophobicContact CZ3-CD2 3.53Å; W735-Y786 AromaticContact CZ3-CE2 3.98Å; W735-Y786 HydrophobicContact CZ3-CE2 3.98Å; W735-Y786 HydrophobicContact CZ3-CG 4.42Å; Y786-E788 PolarHBondContact O-N 3.29Å; Y786-A789 WeakPolarHBondContact O-CB 3.31Å; Y786-A789 PolarHBondContact O-N 3.22Å; Y786-A789 VanDerWaalsContact O-N 3.07Å; Y786-V790 HydrophobicContact CD1-CG2 4.19Å; Y786-V790 HydrophobicContact CD2-CG2 4.27Å; Y786-V790 HydrophobicContact CE1-CG2 3.74Å; Y786-V790 HydrophobicContact CE2-CG2 3.84Å; Y786-V790 HydrophobicContact CG-CG2 4.44Å; Y786-V790 WeakPolarHBondContact O-CG2 3.46Å; Y786-V790 PolarHBondContact O-N 2.65Å; Y786-F810 HydrophobicContact CD2-CE1 4.25Å; Y786-F810 AromaticContact CD2-CZ 3.93Å; Y786-F810 HydrophobicContact CD2-CZ 3.93Å; Y786-F810 HydrophobicContact CE2-CE1 4.05Å; Y786-F810 AromaticContact CE2-CE2 3.96Å; Y786-F810 HydrophobicContact CE2-CE2 3.96Å; Y786-F810 AromaticContact CE2-CZ 3.42Å; Y786-F810 HydrophobicContact CE2-CZ 3.42Å; Y786-F810 VanDerWaalsContact CE2-CZ 3.42Å
787	E	88.5	Confident	91.9	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-39.9	-174.9	-63.3	173.7	173.1	0	0	110	K642 V790 L791	K642-E787 IonicContact NZ-OE1 3.85Å; K642-E787 PolarHBondContact NZ-OE1 3.35Å; E787-V790 PolarHBondContact O-N 3.34Å; E787-L791 WeakPolarHBondContact O-CG 3.31Å; E787-L791 PolarHBondContact O-N 2.66Å; E787-L791 VanDerWaalsContact O-N 3.14Å
788	E	92.4	Very high	92	Very high	41 Å²	41	45.4 Å²	45.4	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-46.5	166.9	-66.5	170.6	-165.4	0	0	112.5	F758 A760 M783 S784 N785 Y786 L791 A792	F758-E788 WeakPolarHBondContact O-CA 3.09Å; F758-E788 VanDerWaalsContact O-CB 3.28Å; F758-E788 WeakPolarHBondContact O-CB 3.31Å; F758-E788 WeakPolarHBondContact O-CG 3.37Å; A760-E788 PolarHBondContact N-OE2 3.37Å; A760-E788 VanDerWaalsContact N-OE2 3.13Å; M783-E788 HydrophobicContact CE-CB 4.12Å; S784-E788 PolarHBondContact OG-OE1 3.17Å; S784-E788 PolarHBondContact OG-OE2 3.01Å; N785-E788 HydrophobicContact CB-CB 4.16Å; N785-E788 VanDerWaalsContact CB-CD 3.47Å; N785-E788 HydrophobicContact CB-CG 3.81Å; N785-E788 PolarHBondContact N-OE2 3.23Å; Y786-E788 PolarHBondContact O-N 3.29Å; E788-L791 PolarHBondContact O-N 2.88Å; E788-A792 WeakPolarHBondContact O-CB 3.34Å; E788-A792 PolarHBondContact O-N 2.81Å
789	A	92.5	Very high	92	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-37.7	-178.3	0	0	0	0	0	113.3	W735 I737 M783 N785 Y786 I793 F810	W735-A789 HydrophobicContact CB-CB 3.8Å; I737-A789 HydrophobicContact CD1-CB 4.09Å; I737-A789 HydrophobicContact CG1-CB 4.26Å; M783-A789 HydrophobicContact CB-CB 4Å; M783-A789 HydrophobicContact CG-CB 4.01Å; N785-A789 WeakPolarHBondContact O-CB 3.47Å; N785-A789 PolarHBondContact O-N 2.86Å; N785-A789 VanDerWaalsContact O-N 3.16Å; Y786-A789 WeakPolarHBondContact O-CB 3.31Å; Y786-A789 PolarHBondContact O-N 3.22Å; Y786-A789 VanDerWaalsContact O-N 3.07Å; A789-I793 WeakPolarHBondContact O-CB 3.23Å; A789-I793 WeakPolarHBondContact O-CD1 3.36Å; A789-I793 VanDerWaalsContact O-CG1 3.29Å; A789-I793 WeakPolarHBondContact O-CG1 3.13Å; A789-I793 PolarHBondContact O-N 2.94Å; A789-F810 HydrophobicContact CB-CE1 3.84Å; A789-F810 HydrophobicContact CB-CZ 4.21Å
790	V	90.9	Very high	91.8	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.315	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-44.7	174.1	174.1	0	0	0	0	110.5	Y786 E787 I793 H794 F810	Y786-V790 HydrophobicContact CD1-CG2 4.19Å; Y786-V790 HydrophobicContact CD2-CG2 4.27Å; Y786-V790 HydrophobicContact CE1-CG2 3.74Å; Y786-V790 HydrophobicContact CE2-CG2 3.84Å; Y786-V790 HydrophobicContact CG-CG2 4.44Å; Y786-V790 WeakPolarHBondContact O-CG2 3.46Å; Y786-V790 PolarHBondContact O-N 2.65Å; E787-V790 PolarHBondContact O-N 3.34Å; V790-I793 PolarHBondContact O-N 2.92Å; V790-H794 WeakPolarHBondContact O-CB 3.26Å; V790-H794 PolarHBondContact O-N 2.8Å; V790-F810 HydrophobicContact CG2-CE2 4.08Å; V790-F810 HydrophobicContact CG2-CZ 3.77Å
791	L	92.6	Very high	91.4	Very high	105 Å²	105	51.6 Å²	51.6	55%	0.55	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-44.2	177.8	-70	170.4	0	0	0	112.2	F758 E787 E788 H794 S795	F758-L791 HydrophobicContact CD1-CB 4.3Å; E787-L791 WeakPolarHBondContact O-CG 3.31Å; E787-L791 PolarHBondContact O-N 2.66Å; E787-L791 VanDerWaalsContact O-N 3.14Å; E788-L791 PolarHBondContact O-N 2.88Å; L791-H794 PolarHBondContact O-N 2.62Å; L791-S795 WeakPolarHBondContact O-CB 3.29Å; L791-S795 PolarHBondContact O-N 2.74Å; L791-S795 PolarHBondContact O-OG 3.15Å
792	A	94.3	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-45.9	175.2	0	0	0	0	0	111.8	I737 F755 F758 E788 L796	I737-A792 HydrophobicContact CD1-CB 3.85Å; F755-A792 HydrophobicContact CD1-CB 3.84Å; F755-A792 HydrophobicContact CE1-CB 3.95Å; F758-A792 HydrophobicContact CB-CB 3.73Å; F758-A792 HydrophobicContact CD2-CB 4.14Å; F758-A792 HydrophobicContact CG-CB 3.92Å; E788-A792 WeakPolarHBondContact O-CB 3.34Å; E788-A792 PolarHBondContact O-N 2.81Å; A792-L796 WeakPolarHBondContact O-CB 3.28Å; A792-L796 WeakPolarHBondContact O-CG 3.45Å; A792-L796 PolarHBondContact O-N 2.88Å
793	I	93.8	Very high	90.6	Very high	26 Å²	26	62.3 Å²	62.3	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-47.4	174.9	-74.2	162.1	0	0	0	110.9	I737 A789 V790 S795 N797 V808 F810	I737-I793 HydrophobicContact CD1-CG1 4.2Å; I737-I793 HydrophobicContact CG1-CD1 4.18Å; I737-I793 HydrophobicContact CG1-CG1 4.22Å; I737-I793 HydrophobicContact CG2-CD1 4.46Å; I737-I793 HydrophobicContact CG2-CG1 3.94Å; A789-I793 WeakPolarHBondContact O-CB 3.23Å; A789-I793 WeakPolarHBondContact O-CD1 3.36Å; A789-I793 VanDerWaalsContact O-CG1 3.29Å; A789-I793 WeakPolarHBondContact O-CG1 3.13Å; A789-I793 PolarHBondContact O-N 2.94Å; V790-I793 PolarHBondContact O-N 2.92Å; I793-S795 VanDerWaalsContact C-N 3.29Å; I793-S795 PolarHBondContact O-N 3.48Å; I793-N797 WeakPolarHBondContact O-CB 3.32Å; I793-N797 PolarHBondContact O-N 3.46Å; I793-V808 HydrophobicContact CG1-CG1 4.04Å; I793-F810 HydrophobicContact CD1-CB 4.46Å; I793-F810 HydrophobicContact CD1-CD1 3.73Å; I793-F810 HydrophobicContact CD1-CD2 3.53Å; I793-F810 HydrophobicContact CD1-CE1 3.68Å; I793-F810 HydrophobicContact CD1-CE2 3.47Å; I793-F810 VanDerWaalsContact CD1-CE2 3.47Å; I793-F810 HydrophobicContact CD1-CG 3.65Å; I793-F810 HydrophobicContact CD1-CZ 3.54Å
794	H	91.3	Very high	90.4	Very high	162 Å²	162	66.8 Å²	66.8	75%	0.75	35%	0.352	S	S	*	.	H	α-helix	trans	-67.9	-28.8	-174.5	-148.5	95	0	0	0	113.2	V790 L791	V790-H794 WeakPolarHBondContact O-CB 3.26Å; V790-H794 PolarHBondContact O-N 2.8Å; L791-H794 PolarHBondContact O-N 2.62Å
795	S	92.6	Very high	90.4	Very high	66 Å²	66	69.4 Å²	69.4	46%	0.462	36%	0.361	S	S	.	.	H	α-helix	trans	-96.1	-25.7	-178.2	-50.2	0	0	0	0	113.9	F758 L791 I793	F758-S795 WeakPolarHBondContact CE1-OG 3.4Å; F758-S795 VanDerWaalsContact CZ-CB 3.44Å; L791-S795 WeakPolarHBondContact O-CB 3.29Å; L791-S795 PolarHBondContact O-N 2.74Å; L791-S795 PolarHBondContact O-OG 3.15Å; I793-S795 VanDerWaalsContact C-N 3.29Å; I793-S795 PolarHBondContact O-N 3.48Å
796	L	93.5	Very high	90.6	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-102.5	-17.3	-176.7	-60.4	175.7	0	0	0	113.9	L754 F755 F758 A792 G798 Y799 V808	L754-L796 HydrophobicContact CD1-CD2 3.62Å; L754-L796 HydrophobicContact CD2-CD1 4.44Å; L754-L796 HydrophobicContact CD2-CD2 4.22Å; L754-L796 HydrophobicContact CG-CD1 3.99Å; L754-L796 HydrophobicContact CG-CD2 3.7Å; L754-L796 HydrophobicContact CG-CG 4.49Å; F755-L796 HydrophobicContact CD1-CD1 3.8Å; F755-L796 HydrophobicContact CD2-CD1 3.83Å; F755-L796 HydrophobicContact CE1-CD1 3.58Å; F755-L796 HydrophobicContact CE2-CD1 3.62Å; F755-L796 HydrophobicContact CG-CD1 3.91Å; F755-L796 HydrophobicContact CZ-CD1 3.48Å; F755-L796 VanDerWaalsContact CZ-CD1 3.48Å; F758-L796 HydrophobicContact CD2-CD1 4.06Å; F758-L796 HydrophobicContact CD2-CG 4.42Å; F758-L796 HydrophobicContact CE2-CD1 3.78Å; F758-L796 HydrophobicContact CE2-CD2 3.86Å; F758-L796 HydrophobicContact CE2-CG 3.74Å; F758-L796 HydrophobicContact CZ-CD2 4.26Å; F758-L796 HydrophobicContact CZ-CG 4.21Å; A792-L796 WeakPolarHBondContact O-CB 3.28Å; A792-L796 WeakPolarHBondContact O-CG 3.45Å; A792-L796 PolarHBondContact O-N 2.88Å; L796-G798 PolarHBondContact O-N 3.4Å; L796-Y799 HydrophobicContact CD2-CD2 4.2Å; L796-Y799 HydrophobicContact CD2-CG 4.21Å; L796-Y799 WeakPolarHBondContact O-CB 3.42Å; L796-Y799 PolarHBondContact O-N 3.23Å; L796-V808 HydrophobicContact CB-CB 4.47Å; L796-V808 HydrophobicContact CB-CG1 4.46Å; L796-V808 HydrophobicContact CB-CG2 3.93Å; L796-V808 WeakPolarHBondContact O-CG2 3.22Å
797	N	92.4	Very high	90.8	Very high	92 Å²	92	69.6 Å²	69.6	49%	0.492	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	110.4	172.4	-172.6	47	0	0	0	110.1	I793 V808	I793-N797 WeakPolarHBondContact O-CB 3.32Å; I793-N797 PolarHBondContact O-N 3.46Å; N797-V808 HydrophobicContact CB-CB 3.97Å; N797-V808 WeakPolarHBondContact CB-O 3.16Å; N797-V808 PolarHBondContact OD1-N 3.42Å; N797-V808 PolarHBondContact OD1-O 3.1Å
798	G	89.7	Confident	91.1	Very high	43 Å²	43	64.9 Å²	64.9	44%	0.443	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-4.5	-170.1	0	0	0	0	0	114.6	L796 L806	L796-G798 PolarHBondContact O-N 3.4Å; G798-L806 PolarHBondContact N-O 3.02Å
799	Y	91.4	Very high	91	Very high	105 Å²	105	65.1 Å²	65.1	41%	0.412	35%	0.347	S	S	.	.			trans	-65.8	140.9	179.5	-173.9	-90.1	0	0	0	111.8	L754 L796 L801 L806	L754-Y799 HydrophobicContact CD1-CD1 4.11Å; L754-Y799 HydrophobicContact CD1-CE1 3.75Å; L754-Y799 HydrophobicContact CD1-CE2 4.36Å; L754-Y799 HydrophobicContact CD2-CD1 4.44Å; L796-Y799 HydrophobicContact CD2-CD2 4.2Å; L796-Y799 HydrophobicContact CD2-CG 4.21Å; L796-Y799 WeakPolarHBondContact O-CB 3.42Å; L796-Y799 PolarHBondContact O-N 3.23Å; Y799-L801 HydrophobicContact CD1-CB 4.27Å; Y799-L801 HydrophobicContact CE1-CB 4.3Å; Y799-L806 HydrophobicContact CD1-CD1 4.21Å; Y799-L806 WeakPolarHBondContact O-CG 3.31Å; Y799-L806 PolarHBondContact O-N 3.09Å
800	V	90.2	Very high	91	Very high	89 Å²	89	66.4 Å²	66.4	54%	0.539	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.6	179.4	-176.1	0	0	0	0	110.6	R804 I805	V800-R804 WeakPolarHBondContact CA-O 3.46Å; V800-I805 HydrophobicContact CG2-CG1 4.24Å
801	L	86.6	Confident	90.7	Very high	29 Å²	29	67.1 Å²	67.1	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.1	173.8	-175.2	67.2	0	0	0	108.7	L742 V746 Y799 N803 R804 L806	L742-L801 HydrophobicContact CD2-CD2 4.2Å; V746-L801 HydrophobicContact CG1-CD2 4.29Å; V746-L801 HydrophobicContact CG2-CD2 3.75Å; V746-L801 HydrophobicContact CG2-CG 4.36Å; Y799-L801 HydrophobicContact CD1-CB 4.27Å; Y799-L801 HydrophobicContact CE1-CB 4.3Å; L801-N803 VanDerWaalsContact C-N 3.29Å; L801-N803 PolarHBondContact O-N 3.41Å; L801-R804 PolarHBondContact N-O 3.09Å; L801-R804 WeakPolarHBondContact O-CA 3.28Å; L801-R804 WeakPolarHBondContact O-CB 3.34Å; L801-R804 PolarHBondContact O-N 3.48Å; L801-R804 VanDerWaalsContact O-O 3.13Å; L801-L806 HydrophobicContact CB-CD1 3.97Å; L801-L806 HydrophobicContact CB-CD2 4.12Å; L801-L806 HydrophobicContact CB-CG 4.05Å; L801-L806 HydrophobicContact CD2-CD1 4.1Å
802	D	85.3	Confident	90	Very high	72 Å²	72	67.9 Å²	67.9	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	47.1	-179.6	-52.2	-10.3	0	0	0	113.4	S743 V746 R804	S743-D802 VanDerWaalsContact CB-CB 3.43Å; S743-D802 WeakPolarHBondContact CB-OD2 3.33Å; S743-D802 PolarHBondContact OG-OD2 3.48Å; V746-D802 WeakPolarHBondContact CG2-OD2 3.33Å; D802-R804 PolarHBondContact O-N 3.28Å; D802-R804 VanDerWaalsContact O-N 3.15Å
803	N	85.2	Confident	88.4	Confident	165 Å²	165	71.2 Å²	71.2	88%	0.882	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	16.7	-174.8	-61.5	86.7	0	0	0	115.3	L801	L801-N803 VanDerWaalsContact C-N 3.29Å; L801-N803 PolarHBondContact O-N 3.41Å
804	R	87	Confident	86.3	Confident	95 Å²	95	75.7 Å²	75.7	36%	0.358	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136	176.6	-61	178	-174.2	-152.7	-8.6	111.4	N741 L742 V800 L801 D802 L806	N741-R804 VanDerWaalsContact O-CB 3.3Å; N741-R804 WeakPolarHBondContact O-CB 3.19Å; N741-R804 WeakPolarHBondContact O-CD 3.47Å; L742-R804 PolarHBondContact O-NH1 3.11Å; V800-R804 WeakPolarHBondContact CA-O 3.46Å; L801-R804 PolarHBondContact N-O 3.09Å; L801-R804 WeakPolarHBondContact O-CA 3.28Å; L801-R804 WeakPolarHBondContact O-CB 3.34Å; L801-R804 PolarHBondContact O-N 3.48Å; L801-R804 VanDerWaalsContact O-O 3.13Å; D802-R804 PolarHBondContact O-N 3.28Å; D802-R804 VanDerWaalsContact O-N 3.15Å; R804-L806 PolarHBondContact O-N 2.88Å
805	I	90.9	Very high	83.8	Confident	102 Å²	102	74.8 Å²	74.8	52%	0.523	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.1	174.3	-59.4	172.3	0	0	0	108.3	N741 V800	N741-I805 WeakPolarHBondContact CB-O 3.5Å; N741-I805 PolarHBondContact ND2-O 3.09Å; V800-I805 HydrophobicContact CG2-CG1 4.24Å
806	L	93.3	Very high	81	Confident	1 Å²	1	81 Å²	81	1%	0.005	42%	0.419	C	S	.	.			trans	-69.2	136.7	177.2	-58.6	-171.5	0	0	0	110.8	Y740 L742 L754 G798 Y799 L801 R804 V808	Y740-L806 WeakPolarHBondContact O-CA 3.36Å; L742-L806 HydrophobicContact CD2-CD1 4.23Å; L742-L806 HydrophobicContact CD2-CD2 3.61Å; L742-L806 HydrophobicContact CG-CD2 4.3Å; L754-L806 HydrophobicContact CD2-CD1 3.75Å; G798-L806 PolarHBondContact N-O 3.02Å; Y799-L806 HydrophobicContact CD1-CD1 4.21Å; Y799-L806 WeakPolarHBondContact O-CG 3.31Å; Y799-L806 PolarHBondContact O-N 3.09Å; L801-L806 HydrophobicContact CB-CD1 3.97Å; L801-L806 HydrophobicContact CB-CD2 4.12Å; L801-L806 HydrophobicContact CB-CG 4.05Å; L801-L806 HydrophobicContact CD2-CD1 4.1Å; R804-L806 PolarHBondContact O-N 2.88Å; L806-V808 HydrophobicContact CB-CG2 4.19Å
807	Q	92.6	Very high	78.1	Confident	111 Å²	111	85.1 Å²	85.1	52%	0.519	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.3	169.6	-68.9	178	-8.1	0	0	108.1	V739 Y740	V739-Q807 CarbonylContact C-O 3.58Å; V739-Q807 WeakPolarHBondContact CA-O 3.45Å; Y740-Q807 PolarHBondContact N-O 3.18Å; Y740-Q807 PolarHBondContact O-N 3.36Å
808	V	93.7	Very high	75.1	Confident	3 Å²	3	90.4 Å²	90.4	2%	0.018	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.3	-171.6	-171.5	0	0	0	0	108.9	I737 F738 V739 F755 I793 L796 N797 L806	I737-V808 HydrophobicContact CG2-CG1 3.36Å; F738-V808 WeakPolarHBondContact O-CA 3.24Å; V739-V808 HydrophobicContact CG1-CG2 4.3Å; V739-V808 HydrophobicContact CG2-CG1 4.47Å; F755-V808 HydrophobicContact CE1-CG1 4.31Å; F755-V808 HydrophobicContact CZ-CG1 4.03Å; I793-V808 HydrophobicContact CG1-CG1 4.04Å; L796-V808 HydrophobicContact CB-CB 4.47Å; L796-V808 HydrophobicContact CB-CG1 4.46Å; L796-V808 HydrophobicContact CB-CG2 3.93Å; L796-V808 WeakPolarHBondContact O-CG2 3.22Å; N797-V808 HydrophobicContact CB-CB 3.97Å; N797-V808 WeakPolarHBondContact CB-O 3.16Å; N797-V808 PolarHBondContact OD1-N 3.42Å; N797-V808 PolarHBondContact OD1-O 3.1Å; L806-V808 HydrophobicContact CB-CG2 4.19Å
809	S	91.4	Very high	72	Confident	46 Å²	46	94.2 Å²	94.2	32%	0.322	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	167.9	-176.6	74.6	0	0	0	0	111.2	I737 F738 K811	I737-S809 CarbonylContact C-O 3.6Å; I737-S809 WeakPolarHBondContact CA-O 3.34Å; I737-S809 WeakPolarHBondContact CG2-O 3.49Å; F738-S809 PolarHBondContact N-O 3.4Å; F738-S809 PolarHBondContact O-N 3.48Å; S809-K811 PolarHBondContact O-N 3.23Å
810	F	91.4	Very high	69.1	Low	27 Å²	27	96.9 Å²	96.9	12%	0.118	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.7	161.3	-72.8	-69.4	0	0	0	109.6	W735 Y786 A789 V790 I793 I812	W735-F810 HydrophobicContact CE3-CE1 4.38Å; Y786-F810 HydrophobicContact CD2-CE1 4.25Å; Y786-F810 AromaticContact CD2-CZ 3.93Å; Y786-F810 HydrophobicContact CD2-CZ 3.93Å; Y786-F810 HydrophobicContact CE2-CE1 4.05Å; Y786-F810 AromaticContact CE2-CE2 3.96Å; Y786-F810 HydrophobicContact CE2-CE2 3.96Å; Y786-F810 AromaticContact CE2-CZ 3.42Å; Y786-F810 HydrophobicContact CE2-CZ 3.42Å; Y786-F810 VanDerWaalsContact CE2-CZ 3.42Å; A789-F810 HydrophobicContact CB-CE1 3.84Å; A789-F810 HydrophobicContact CB-CZ 4.21Å; V790-F810 HydrophobicContact CG2-CE2 4.08Å; V790-F810 HydrophobicContact CG2-CZ 3.77Å; I793-F810 HydrophobicContact CD1-CB 4.46Å; I793-F810 HydrophobicContact CD1-CD1 3.73Å; I793-F810 HydrophobicContact CD1-CD2 3.53Å; I793-F810 HydrophobicContact CD1-CE1 3.68Å; I793-F810 HydrophobicContact CD1-CE2 3.47Å; I793-F810 VanDerWaalsContact CD1-CE2 3.47Å; I793-F810 HydrophobicContact CD1-CG 3.65Å; I793-F810 HydrophobicContact CD1-CZ 3.54Å; F810-I812 PolarHBondContact O-N 2.76Å
811	K	86.2	Confident	66	Low	66 Å²	66	98.4 Å²	98.4	29%	0.287	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-61.6	130.3	171.8	174.1	-176.5	172	-167.9	0	109	G728 G729 C736 F738 F780 S809	G728-K811 CarbonylContact C-O 3.47Å; G728-K811 WeakPolarHBondContact CA-O 3.17Å; G729-K811 PolarHBondContact N-O 2.76Å; C736-K811 HydrophobicContact CB-CB 4.34Å; C736-K811 HydrophobicContact CB-CD 4.13Å; C736-K811 VanDerWaalsContact O-CB 3.26Å; C736-K811 WeakPolarHBondContact O-CB 3.46Å; C736-K811 PolarHBondContact O-N 3.08Å; C736-K811 VanDerWaalsContact SG-CD 3.51Å; F738-K811 HydrophobicContact CB-CB 4.33Å; F780-K811 HydrophobicContact CD1-CB 4.46Å; F780-K811 HydrophobicContact CD1-CD 3.83Å; F780-K811 HydrophobicContact CD1-CG 4.19Å; F780-K811 HydrophobicContact CE1-CD 3.87Å; F780-K811 HydrophobicContact CE1-CG 3.92Å; S809-K811 PolarHBondContact O-N 3.23Å
812	I	77.9	Confident	63.3	Low	121 Å²	121	105.2 Å²	105.2	62%	0.621	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-91.4	118.4	174.6	-56.5	177.1	0	0	0	109.1	F810 N814	F810-I812 PolarHBondContact O-N 2.76Å; I812-N814 VanDerWaalsContact C-N 3.35Å; I812-N814 PolarHBondContact O-N 2.82Å
813	T	60.7	Low	60.7	Low	70 Å²	70	108.4 Å²	108.4	43%	0.429	56%	0.559	S	S	.	*			trans	-76.8	83.4	172.4	37.9	0	0	0	0	110.5	G728 N815	G728-T813 WeakPolarHBondContact CA-OG1 2.95Å; G728-T813 WeakPolarHBondContact O-CG2 3.45Å; T813-N815 VanDerWaalsContact C-N 3.35Å; T813-N815 PolarHBondContact O-N 2.98Å
814	N	48.1	Very low	57.9	Low	121 Å²	121	106.4 Å²	106.4	65%	0.647	55%	0.553	S	S	*	*			trans	-63.9	89.6	174.8	-80.6	-16.8	0	0	0	111.7	I812 K816	I812-N814 VanDerWaalsContact C-N 3.35Å; I812-N814 PolarHBondContact O-N 2.82Å; N814-K816 VanDerWaalsContact C-N 3.25Å; N814-K816 PolarHBondContact O-N 2.81Å
815	N	39.6	Very low	55.2	Low	143 Å²	143	110.1 Å²	110.1	77%	0.765	58%	0.579	S	S	*	*			trans	-64.7	81.8	168.3	-83.6	-14.5	0	0	0	110.4	T813 S817	T813-N815 VanDerWaalsContact C-N 3.35Å; T813-N815 PolarHBondContact O-N 2.98Å; N815-S817 VanDerWaalsContact C-N 3.27Å; N815-S817 PolarHBondContact O-N 3.09Å
816	K	34.8	Very low	52.2	Low	197 Å²	197	110 Å²	110	86%	0.857	59%	0.587	S	S	*	*			trans	-72.5	75.4	178.4	-74.1	-170.9	175.4	-176.3	0	111.9	N814	N814-K816 VanDerWaalsContact C-N 3.25Å; N814-K816 PolarHBondContact O-N 2.81Å
817	S	31.5	Very low	49.3	Very low	90 Å²	90	116 Å²	116	63%	0.629	63%	0.627	S	S	*	*			trans	-143.8	124.6	163.9	66.2	0	0	0	0	111.9	N815	N815-S817 VanDerWaalsContact C-N 3.27Å; N815-S817 PolarHBondContact O-N 3.09Å
818	R	28.6	Very low	46.3	Very low	202 Å²	202	116.4 Å²	116.4	76%	0.762	64%	0.641	S	S	*	*			trans	66.2	91.6	174.4	-45.5	-177.3	-153.7	162.3	9.4	115.8	F820	R818-F820 HydrophobicContact CB-CD2 4.04Å; R818-F820 HydrophobicContact CB-CE2 3.78Å; R818-F820 HydrophobicContact CB-CZ 4.27Å; R818-F820 VanDerWaalsContact CD-CE2 3.5Å; R818-F820 HydrophobicContact CG-CE2 4.25Å; R818-F820 HydrophobicContact CG-CZ 4.46Å; R818-F820 PolarHBondContact O-N 3.37Å
819	S	26.5	Very low	43.5	Very low	123 Å²	123	121.2 Å²	121.2	86%	0.86	68%	0.675	S	S	*	*			trans	-65.8	115.1	146.1	50.9	0	0	0	0	109.3
820	F	28.6	Very low	40.9	Very low	162 Å²	162	123.7 Å²	123.7	71%	0.711	69%	0.693	S	S	*	*			trans	-108.1	134.3	161.4	-72.4	-64.3	0	0	0	108.7	R818	R818-F820 HydrophobicContact CB-CD2 4.04Å; R818-F820 HydrophobicContact CB-CE2 3.78Å; R818-F820 HydrophobicContact CB-CZ 4.27Å; R818-F820 VanDerWaalsContact CD-CE2 3.5Å; R818-F820 HydrophobicContact CG-CE2 4.25Å; R818-F820 HydrophobicContact CG-CZ 4.46Å; R818-F820 PolarHBondContact O-N 3.37Å
821	P	25.9	Very low	38.2	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	72%	0.722	S	S	*	*			trans	-79.9	134.6	176.7	32.1	-32.5	0	0	0	110.5
822	L	29.5	Very low	35.6	Very low	172 Å²	172	129.8 Å²	129.8	90%	0.901	75%	0.747	S	S	*	*			trans	-133.6	97	159	-161.9	74.2	0	0	0	108.5
823	N	30.7	Very low	33.4	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	76%	0.76	S	S	*	*			trans	-74.7	128.4	174.6	-103	15.2	0	0	0	109.9
824	T	27	Very low	32.1	Very low	123 Å²	123	134.1 Å²	134.1	76%	0.755	77%	0.774	S	S	*	*			trans	37.4	104.6	145.8	57.6	0	0	0	0	118
825	L	29.3	Very low	31.3	Very low	174 Å²	174	133.5 Å²	133.5	91%	0.911	78%	0.779	S	S	*	*			trans	-106.9	136.8	137.5	-92	80.7	0	0	0	109.2
826	S	27.9	Very low	31	Very low	99 Å²	99	131.8 Å²	131.8	69%	0.692	78%	0.778	S	S	*	*			trans	-82.7	152.4	-178	48.9	0	0	0	0	112.5
827	P	33.6	Very low	30.8	Very low	128 Å²	128	128 Å²	128	83%	0.831	77%	0.773	S	S	*	*			trans	-66.5	133.9	163.8	30.2	-33.5	0	0	0	109.9
828	S	29.4	Very low	30.7	Very low	118 Å²	118	129.1 Å²	129.1	83%	0.825	78%	0.782	S	S	*	*			trans	-117.6	98.1	175.6	59.9	0	0	0	0	111.1
829	S	34.3	Very low	30.8	Very low	105 Å²	105	123.6 Å²	123.6	73%	0.734	77%	0.774	S	S	*	*			trans	-110.7	111.7	160.6	38.7	0	0	0	0	107.4
830	S	37.1	Very low	31	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	77%	0.773	S	S	*	*				78.3	123.2	64.9	74.9	0	0	0	0	113.6
831	S	34.7	Very low	31.2	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	77%	0.767	S	S	*	*			trans	53.5	99.2	160.7	56.8	0	0	0	0	118.8
832	S	31.8	Very low	31.5	Very low	117 Å²	117	124.1 Å²	124.1	82%	0.818	77%	0.768	S	S	*	*			trans	-26.8	133.5	139.8	51.5	0	0	0	0	116.5
833	L	32.7	Very low	31.7	Very low	170 Å²	170	120.6 Å²	120.6	89%	0.89	76%	0.758	S	S	*	*			trans	-150.8	133.9	151.1	-102.7	163.3	0	0	0	107.9
834	P	31.6	Very low	31.8	Very low	112 Å²	112	122.1 Å²	122.1	73%	0.727	77%	0.765	S	S	*	*			trans	-102.2	175.8	-173	39	-35.6	0	0	0	114.5
835	S	31.2	Very low	32.2	Very low	107 Å²	107	120.8 Å²	120.8	75%	0.748	76%	0.759	S	S	*	*			trans	93.3	150.6	158.2	83.8	0	0	0	0	119.7
836	S	34	Very low	32.5	Very low	107 Å²	107	122.3 Å²	122.3	75%	0.748	76%	0.759	S	S	*	*			trans	73.8	106.9	156.9	-46.3	0	0	0	0	118.9
837	P	31.6	Very low	32.4	Very low	117 Å²	117	123.1 Å²	123.1	76%	0.76	76%	0.755	S	S	*	*			trans	-88.2	-173.4	159.6	38.8	-34.5	0	0	0	111.3
838	S	28.5	Very low	32.1	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	76%	0.76	S	S	*	*			trans	73.8	146.8	176	81.7	0	0	0	0	115.2
839	S	31.3	Very low	32	Very low	85 Å²	85	123.9 Å²	123.9	59%	0.594	75%	0.749	S	S	*	*			cis	-172.2	154.6	-14	42.5	0	0	0	0	111
840	Q	30.8	Very low	31.9	Very low	182 Å²	182	124.6 Å²	124.6	85%	0.85	75%	0.754	S	S	*	*			trans	67.1	156	155.8	-71.3	163.7	27.2	0	0	115.9
841	S	31.9	Very low	31.7	Very low	83 Å²	83	126.9 Å²	126.9	58%	0.58	76%	0.757	S	S	*	*			cis	-164.2	168.4	-13.8	47	0	0	0	0	110
842	N	32.4	Very low	31.4	Very low	151 Å²	151	129.5 Å²	129.5	81%	0.807	76%	0.757	S	S	*	*			trans	73.8	139.7	162.8	-52.4	-30.9	0	0	0	116.7
843	S	33.2	Very low	31.5	Very low	99 Å²	99	131 Å²	131	69%	0.692	75%	0.751	S	S	*	*			cis	-159.1	132.1	-5	47.2	0	0	0	0	114.5
844	L	33.2	Very low	31.2	Very low	170 Å²	170	128.2 Å²	128.2	89%	0.89	74%	0.742	S	S	*	*			trans	73.7	152.3	147.2	-61.9	169.7	0	0	0	120.3
845	P	36.4	Very low	31.2	Very low	95 Å²	95	131 Å²	131	62%	0.617	75%	0.75	S	S	*	*			trans	-134.1	-175.2	-152.7	43.5	-25.2	0	0	0	114.8
846	F	34.4	Very low	31	Very low	207 Å²	207	130.1 Å²	130.1	91%	0.908	74%	0.743	S	S	*	*				-162	145.3	112.4	-108.8	-74	0	0	0	110.1
847	D	27	Very low	30.6	Very low	116 Å²	116	132.4 Å²	132.4	62%	0.62	75%	0.747	S	S	*	*			trans	-136.4	162.8	-172.1	177.2	41.4	0	0	0	110.2	S849	D847-S849 VanDerWaalsContact OD2-CB 3.28Å; D847-S849 WeakPolarHBondContact OD2-CB 3.34Å; D847-S849 PolarHBondContact OD2-N 2.84Å; D847-S849 PolarHBondContact OD2-OG 3.33Å
848	L	27.1	Very low	30.6	Very low	177 Å²	177	135.1 Å²	135.1	93%	0.927	75%	0.75	S	S	*	*			trans	-137.4	71.5	170.7	-149.1	84.7	0	0	0	111.7
849	S	27.3	Very low	30.5	Very low	85 Å²	85	137.4 Å²	137.4	59%	0.594	75%	0.748	S	S	*	*			trans	-113.3	135.7	175	64.6	0	0	0	0	113	D847	D847-S849 VanDerWaalsContact OD2-CB 3.28Å; D847-S849 WeakPolarHBondContact OD2-CB 3.34Å; D847-S849 PolarHBondContact OD2-N 2.84Å; D847-S849 PolarHBondContact OD2-OG 3.33Å
850	S	31.5	Very low	30.5	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	75%	0.751	S	S	*	*			trans	-177.3	141.2	175.6	-79.9	0	0	0	0	106.1
851	I	33.7	Very low	30.7	Very low	145 Å²	145	137.6 Å²	137.6	74%	0.744	74%	0.743	S	S	*	*			cis	-139.6	126.2	19	-61.8	177.7	0	0	0	105.7
852	Q	28.8	Very low	30.7	Very low	159 Å²	159	142.1 Å²	142.1	74%	0.743	75%	0.752	S	S	*	*				46	145.3	100	-65.5	178.5	-8.8	0	0	115.8
853	Q	32.9	Very low	30.5	Very low	149 Å²	149	141.8 Å²	141.8	70%	0.696	75%	0.75	S	S	*	*			cis	-162.1	148.7	12.2	-131.4	163.4	23.1	0	0	113.3
854	T	26	Very low	30.4	Very low	111 Å²	111	141.1 Å²	141.1	68%	0.681	75%	0.746	S	S	*	*			trans	32.1	132.8	147.5	50.2	0	0	0	0	124.3
855	L	32.1	Very low	30.5	Very low	171 Å²	171	142.3 Å²	142.3	90%	0.895	74%	0.744	S	S	*	*			trans	164.4	141.9	132.5	-90.8	162.6	0	0	0	109.9
856	S	26.9	Very low	30.3	Very low	88 Å²	88	146.3 Å²	146.3	62%	0.615	75%	0.752	S	S	*	*				172.7	108.7	-50.5	-85.5	0	0	0	0	108.6
857	N	26.6	Very low	30.2	Very low	156 Å²	156	143 Å²	143	83%	0.834	74%	0.742	S	S	*	*			trans	59.8	165.9	162.7	-47.3	-5.7	0	0	0	117.4
858	E	30.6	Very low	30.4	Very low	173 Å²	173	144.3 Å²	144.3	81%	0.808	75%	0.754	S	S	*	*			cis	-134.7	150.6	6.7	-71.4	179	125.6	0	0	109.3
859	Q	27.2	Very low	30.7	Very low	164 Å²	164	138.7 Å²	138.7	77%	0.766	74%	0.739	S	S	*	*				48.8	141.3	90	-72.1	-172.4	-104.1	0	0	116.7
860	D	30.7	Very low	30.9	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	75%	0.747	S	S	*	*			cis	-154.9	-162.2	20.6	-115.2	-17.9	0	0	0	116.4
861	H	34	Very low	30.9	Very low	147 Å²	147	143.6 Å²	143.6	68%	0.681	75%	0.745	S	S	*	*			trans	-50	179.6	-173.2	-59.1	-12.2	0	0	0	120.6
862	F	33.2	Very low	30.7	Very low	179 Å²	179	144 Å²	144	79%	0.785	75%	0.748	S	S	*	*			cis	-144.7	156.9	19.2	-81.9	-95.8	0	0	0	111.2
863	N	27.1	Very low	30.8	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	75%	0.747	S	S	*	*				63.4	138.3	61	-106.8	-31.3	0	0	0	115.9
864	S	32.1	Very low	30.8	Very low	85 Å²	85	140.8 Å²	140.8	59%	0.594	75%	0.749	S	S	*	*			cis	-172.6	165.9	-0.5	-144.6	0	0	0	0	114.3
865	K	34.6	Very low	30.8	Very low	195 Å²	195	142.4 Å²	142.4	85%	0.848	75%	0.753	S	S	*	*			trans	71.4	159.3	155.7	-71.2	165.6	-177.4	169.8	0	120.9
866	K	32.1	Very low	30.8	Very low	180 Å²	180	139 Å²	139	78%	0.783	74%	0.744	S	S	*	*			cis	-178.5	169.7	-20.3	-172.3	-166.9	174.6	-169.9	0	111.4
867	I	33.1	Very low	31	Very low	137 Å²	137	141.8 Å²	141.8	70%	0.703	75%	0.751	S	S	*	*			trans	92.4	113.2	159.1	-52.4	-176.7	0	0	0	116.2
868	V	30.9	Very low	31.1	Very low	143 Å²	143	140.3 Å²	140.3	87%	0.867	75%	0.748	S	S	*	*				67.8	136.2	77.6	-179.4	0	0	0	0	115.2
869	G	32.7	Very low	31	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	75%	0.745	S	S	*	*			cis	167.7	178.8	-7.2	0	0	0	0	0	115.7
870	T	32	Very low	31.1	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	75%	0.748	S	S	*	*			trans	71.6	119	159.4	47.7	0	0	0	0	126.4
871	K	31.7	Very low	31	Very low	182 Å²	182	133.2 Å²	133.2	79%	0.791	75%	0.751	S	S	*	*				83.5	139.2	127.8	-73.2	-178.1	178.4	-178	0	124.8
872	N	30.3	Very low	30.8	Very low	152 Å²	152	131.5 Å²	131.5	81%	0.813	76%	0.755	S	S	*	*			trans	67.4	157.9	154.7	-64.4	10	0	0	0	118.5
873	S	29.2	Very low	30.4	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	76%	0.756	S	S	*	*			cis	-170	172.7	-31.3	-165.4	0	0	0	0	109.4
874	L	33.2	Very low	30.5	Very low	141 Å²	141	134.9 Å²	134.9	74%	0.738	77%	0.765	S	S	*	*			trans	73.3	105.3	163.5	-64.4	156.8	0	0	0	120.7
875	N	26.4	Very low	30.2	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	78%	0.776	S	S	*	*				57.9	161.3	118.8	-62.2	9.8	0	0	0	124.9
876	S	32.3	Very low	30	Very low	99 Å²	99	139 Å²	139	69%	0.692	78%	0.775	S	S	*	*			trans	81.3	106.8	159.6	42.3	0	0	0	0	121.5
877	D	31.2	Very low	29.9	Very low	146 Å²	146	138.9 Å²	138.9	78%	0.781	78%	0.777	S	S	*	*				77.4	102.1	117.4	-53	-10.4	0	0	0	123.2
878	T	28.6	Very low	29.7	Very low	125 Å²	125	141.1 Å²	141.1	77%	0.767	79%	0.785	S	S	*	*				63.7	128.6	122.9	-25.7	0	0	0	0	122.4
879	S	27.9	Very low	29.6	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	79%	0.785	S	S	*	*			trans	110.4	142.8	134.6	87.6	0	0	0	0	120.4
880	V	30.4	Very low	29.3	Very low	136 Å²	136	146.7 Å²	146.7	82%	0.824	80%	0.795	S	S	*	*			trans	49.7	95.7	156.6	-170.1	0	0	0	0	120
881	G	28.3	Very low	29.2	Very low	70 Å²	70	145.2 Å²	145.2	72%	0.722	79%	0.788	S	S	*	*				83.6	171.7	107.3	0	0	0	0	0	121.2
882	S	29.3	Very low	28.9	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	79%	0.786	S	S	*	*			trans	77.2	94.2	168.3	-54.1	0	0	0	0	119.2
883	N	26.2	Very low	28.6	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	78%	0.783	S	S	*	*			trans	2.1	124.3	140.3	-51.4	-22.3	0	0	0	118.3
884	Y	28.3	Very low	28.4	Very low	241 Å²	241	150.3 Å²	150.3	95%	0.945	79%	0.79	S	S	*	*			trans	-142.3	113.6	134.7	-88.7	-65.9	0	0	0	111.3
885	E	25.6	Very low	28.1	Very low	178 Å²	178	152 Å²	152	83%	0.832	79%	0.792	S	S	*	*			trans	-95.8	136.1	175.9	-178.7	-172	148.6	0	0	110
886	K	30.8	Very low	28.2	Very low	189 Å²	189	150.4 Å²	150.4	82%	0.822	79%	0.792	S	S	*	*			trans	-164.3	145.8	156.5	-118.7	166.3	-171.6	175.3	0	114.7
887	Q	30.3	Very low	28.1	Very low	178 Å²	178	154.2 Å²	154.2	83%	0.832	80%	0.799	S	S	*	*			trans	73.4	93.1	161	-64.7	173.1	104	0	0	117
888	Q	28.6	Very low	27.9	Very low	184 Å²	184	152.1 Å²	152.1	86%	0.86	80%	0.796	S	S	*	*			trans	-63.3	148.3	155.3	-57.8	168	-4.5	0	0	110.8
889	T	28.6	Very low	27.8	Very low	143 Å²	143	155.6 Å²	155.6	88%	0.877	80%	0.796	S	S	*	*			trans	-146.1	132	146.9	-39.1	0	0	0	0	108.9
890	Q	25.3	Very low	27.9	Very low	176 Å²	176	157.5 Å²	157.5	82%	0.822	79%	0.793	S	S	*	*			trans	-116.8	176.5	-176.2	-131.7	-157.8	86.7	0	0	109.8
891	P	31.1	Very low	28	Very low	95 Å²	95	157.6 Å²	157.6	62%	0.617	79%	0.785	S	S	*	*				-122.5	-175.4	-97.5	38.3	-23.7	0	0	0	115.6
892	Q	24.7	Very low	28.1	Very low	162 Å²	162	160.3 Å²	160.3	76%	0.757	78%	0.783	S	S	*	*			trans	100.1	136.3	158.2	-63.6	-163.6	22.8	0	0	121.4
893	Q	24.3	Very low	28.2	Very low	161 Å²	161	161.7 Å²	161.7	75%	0.752	78%	0.781	S	S	*	*			trans	54.7	103.9	146.1	-69.5	-173.4	1.2	0	0	121.3
894	Y	24.5	Very low	28.5	Very low	219 Å²	219	163.4 Å²	163.4	86%	0.859	78%	0.782	S	S	*	*			trans	-141.9	158.3	131.5	-89.2	-95.8	0	0	0	110.6
895	K	27.3	Very low	28.8	Very low	176 Å²	176	161.6 Å²	161.6	77%	0.765	78%	0.779	S	S	*	*			cis	-179	114.1	-41.5	179.7	177	-175.8	179	0	110.5
896	S	28.5	Very low	29.2	Very low	112 Å²	112	162.5 Å²	162.5	78%	0.783	78%	0.78	S	S	*	*			trans	-170.9	131.6	162.1	49.2	0	0	0	0	112.3
897	Q	30.2	Very low	29.2	Very low	179 Å²	179	163.1 Å²	163.1	84%	0.836	78%	0.783	S	S	*	*			cis	-156.3	152.6	-7.8	-108.3	-176.3	7.3	0	0	110.6
898	S	26.5	Very low	29.2	Very low	102 Å²	102	159 Å²	159	71%	0.713	77%	0.773	S	S	*	*			trans	70.1	146.3	164.7	89.9	0	0	0	0	117.7
899	Y	26.5	Very low	29.5	Very low	198 Å²	198	156.4 Å²	156.4	78%	0.776	77%	0.771	S	S	*	*			cis	-134.6	162.8	-6.2	-97.6	-72.5	0	0	0	111.1
900	H	30.7	Very low	29.6	Very low	147 Å²	147	156.2 Å²	156.2	68%	0.681	76%	0.764	S	S	*	*			trans	13.3	150.9	156.6	-63.4	-20.1	0	0	0	123.3
901	Q	31.8	Very low	30.1	Very low	138 Å²	138	155.8 Å²	155.8	65%	0.645	77%	0.766	S	S	*	*			cis	-164.4	146.7	-3.9	-114.5	175.9	40.3	0	0	112.8
902	N	30.1	Very low	30.1	Very low	127 Å²	127	157.8 Å²	157.8	68%	0.679	77%	0.772	S	S	*	*			trans	65.1	140	143.9	-64.3	-24.1	0	0	0	125.9
903	N	32.7	Very low	30.5	Very low	138 Å²	138	156.5 Å²	156.5	74%	0.738	77%	0.77	S	S	*	*			trans	95.1	66.1	146.7	-66.2	-17.3	0	0	0	124.5
904	K	32.4	Very low	31.1	Very low	189 Å²	189	156.4 Å²	156.4	82%	0.822	77%	0.77	S	S	*	*				40	112.2	116	-63.8	174.2	175.5	172.1	0	121.3
905	K	35	Very low	31.5	Very low	203 Å²	203	152.7 Å²	152.7	88%	0.883	77%	0.77	S	S	*	*				168.1	111.8	113	-91.8	170.2	-179.7	179.6	0	109.8
906	K	33.7	Very low	31.5	Very low	197 Å²	197	148.9 Å²	148.9	86%	0.857	77%	0.765	S	S	*	*				65.3	105.2	84.1	-106.3	-158.5	176.7	-165	0	115.8
907	F	31.4	Very low	31.7	Very low	202 Å²	202	153.3 Å²	153.3	89%	0.886	77%	0.771	S	S	*	*				-163	157.7	113.4	-119.2	-86	0	0	0	110.5
908	S	29	Very low	31.6	Very low	90 Å²	90	153.7 Å²	153.7	63%	0.629	77%	0.77	S	S	*	*			trans	-141.9	157.5	-174.8	-60.3	0	0	0	0	111.2
909	T	35.8	Very low	32.2	Very low	131 Å²	131	154.5 Å²	154.5	80%	0.804	77%	0.772	S	S	*	*			trans	152.1	113.5	146.9	45.1	0	0	0	0	106.9
910	D	29.9	Very low	32.4	Very low	139 Å²	139	151.2 Å²	151.2	74%	0.743	77%	0.773	S	S	*	*				71.1	118.4	50.4	-57.6	-53.3	0	0	0	114
911	L	36.1	Very low	32.4	Very low	166 Å²	166	149.9 Å²	149.9	87%	0.869	78%	0.775	S	S	*	*			trans	-169.8	149.8	134.2	-103.9	168.7	0	0	0	110.6
912	N	30.9	Very low	32.3	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	78%	0.777	S	S	*	*			trans	-92.7	-169.9	-179.3	-52.9	-43	0	0	0	109.6
913	D	33.6	Very low	32.3	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	78%	0.778	S	S	*	*			cis	-159.6	174.6	44.9	-111.5	-51.4	0	0	0	116.4
914	H	35.9	Very low	32.1	Very low	160 Å²	160	148.2 Å²	148.2	74%	0.741	78%	0.779	S	S	*	*			trans	-56.2	167	177.4	-60	-72.6	0	0	0	113.6
915	T	33.1	Very low	32.1	Very low	140 Å²	140	146.5 Å²	146.5	86%	0.859	77%	0.774	S	S	*	*			cis	-153.1	158.4	49.7	50.3	0	0	0	0	116.4
916	S	28.2	Very low	31.8	Very low	96 Å²	96	142.3 Å²	142.3	67%	0.671	76%	0.761	S	S	*	*			trans	-79.4	155.6	172.7	178.5	0	0	0	0	113
917	F	32.4	Very low	31.8	Very low	206 Å²	206	141.4 Å²	141.4	90%	0.904	76%	0.757	S	S	*	*				-160.1	153.9	128.9	-98.4	-66.2	0	0	0	112.2
918	K	29	Very low	31.8	Very low	187 Å²	187	136.6 Å²	136.6	81%	0.813	75%	0.749	S	S	*	*			trans	-150.5	-179.9	176	-76.6	-170.7	176.5	-176.3	0	107.2
919	P	37.9	Very low	31.7	Very low	118 Å²	118	138.5 Å²	138.5	77%	0.766	76%	0.756	S	S	*	*				-123.7	-176.8	-59	39.5	-25.2	0	0	0	110.5
920	V	30.4	Very low	31.4	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	75%	0.749	S	S	*	*			trans	175.1	112.9	156	133.1	0	0	0	0	107.1
921	V	30.6	Very low	31.3	Very low	119 Å²	119	137.2 Å²	137.2	72%	0.721	75%	0.75	S	S	*	*				92.5	148.2	82.9	161	0	0	0	0	113.4
922	T	29.4	Very low	31.1	Very low	112 Å²	112	136 Å²	136	69%	0.687	75%	0.749	S	S	*	*			trans	69.4	116.3	169.6	41.5	0	0	0	0	122
923	D	30.1	Very low	30.8	Very low	132 Å²	132	137 Å²	137	71%	0.706	76%	0.755	S	S	*	*				85.8	110.8	116.9	-61.9	2.8	0	0	0	125.8
924	T	28.7	Very low	30.8	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	76%	0.762	S	S	*	*				87.1	146.2	124.2	61	0	0	0	0	124.5
925	Q	33	Very low	30.5	Very low	153 Å²	153	134.3 Å²	134.3	72%	0.715	77%	0.765	S	S	*	*			trans	77.4	102.4	151.6	-77.8	178.8	17.5	0	0	122.8
926	D	27.9	Very low	30.4	Very low	115 Å²	115	134.4 Å²	134.4	62%	0.615	76%	0.759	S	S	*	*				75	145.6	118.5	-63.2	-3.6	0	0	0	123.9
927	K	34.4	Very low	30.4	Very low	178 Å²	178	137.5 Å²	137.5	77%	0.774	76%	0.763	S	S	*	*			trans	71.8	143.8	166.2	-55.1	120.9	-171.4	162.1	0	115.6
928	S	31.2	Very low	30.2	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	75%	0.752	S	S	*	*			cis	-167	160	-18.1	51.6	0	0	0	0	111
929	V	28	Very low	30.1	Very low	130 Å²	130	130.5 Å²	130.5	79%	0.788	74%	0.742	S	S	*	*			trans	12.2	128.8	130.6	-173.2	0	0	0	0	115.7
930	S	29	Very low	29.8	Very low	91 Å²	91	131.3 Å²	131.3	64%	0.636	75%	0.745	S	S	*	*			cis	-169.9	161.4	8.9	47.6	0	0	0	0	114.3
931	I	27.6	Very low	29.8	Very low	152 Å²	152	130.9 Å²	130.9	78%	0.779	74%	0.738	S	S	*	*			trans	30.8	119.4	138.6	-52	162.8	0	0	0	119
932	T	30.8	Very low	29.8	Very low	139 Å²	139	135.6 Å²	135.6	85%	0.853	74%	0.743	S	S	*	*				-173.5	157.3	123.2	17.4	0	0	0	0	112.3
933	N	25.5	Very low	30	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	74%	0.735	S	S	*	*			trans	-96.1	140.8	171.3	-65.6	-58.1	0	0	0	110.4
934	S	32.9	Very low	29.9	Very low	126 Å²	126	134 Å²	134	88%	0.881	74%	0.736	S	S	*	*			trans	-178.1	144.4	130.1	-84.1	0	0	0	0	114.9
935	S	30.7	Very low	30.1	Very low	114 Å²	114	136 Å²	136	80%	0.797	74%	0.737	S	S	*	*			trans	-58.2	-177	-178.1	-50.3	0	0	0	0	118.5
936	I	30.6	Very low	29.9	Very low	142 Å²	142	133.7 Å²	133.7	73%	0.728	73%	0.734	S	S	*	*			trans	102.4	95	156.5	-60.1	179.3	0	0	0	117.1
937	Q	29.3	Very low	30.1	Very low	161 Å²	161	134.4 Å²	134.4	75%	0.752	74%	0.737	S	S	*	*				67.4	162	123.1	-69.6	-176.6	19.9	0	0	120.5
938	L	27.1	Very low	30.1	Very low	130 Å²	130	131.3 Å²	131.3	68%	0.681	73%	0.729	S	S	*	*			cis	-158.1	169.2	2.6	-123.7	168.9	0	0	0	111.4
939	L	27.1	Very low	30.1	Very low	115 Å²	115	136.2 Å²	136.2	60%	0.602	73%	0.732	S	S	*	*			trans	67	118.1	147.1	-95.3	155	0	0	0	124.4
940	T	31.4	Very low	30.5	Very low	135 Å²	135	137.1 Å²	137.1	83%	0.828	73%	0.733	S	S	*	*				-159.4	123.3	121.6	18.1	0	0	0	0	106.1
941	N	31.3	Very low	30.6	Very low	121 Å²	121	143.4 Å²	143.4	65%	0.647	74%	0.743	S	S	*	*				55.6	129.9	67.9	-73.6	-20.9	0	0	0	113.2
942	R	30.3	Very low	31.1	Very low	218 Å²	218	146.4 Å²	146.4	82%	0.823	75%	0.75	S	S	*	*			cis	-167.7	170.9	1.2	-105.5	-161.2	175.5	-161.4	-0.1	108.1
943	S	34	Very low	31	Very low	74 Å²	74	147.5 Å²	147.5	52%	0.517	75%	0.745	S	S	.	*			cis	-177.4	153.1	-24.3	51	0	0	0	0	111.1
944	N	27	Very low	31.4	Very low	137 Å²	137	149.2 Å²	149.2	73%	0.733	75%	0.745	S	S	*	*			trans	69.3	161.1	164.1	-61.5	16.9	0	0	0	117.1
945	E	32.9	Very low	31.3	Very low	164 Å²	164	151.6 Å²	151.6	77%	0.766	74%	0.74	S	S	*	*			cis	-145	-173.1	14.2	-150.5	138.1	-99.5	0	0	115.2
946	T	29.8	Very low	31.3	Very low	106 Å²	106	151.2 Å²	151.2	65%	0.65	73%	0.733	S	S	*	*			trans	-103.9	153.8	-153.2	54	0	0	0	0	116.6
947	N	31.4	Very low	31.3	Very low	129 Å²	129	149.4 Å²	149.4	69%	0.69	73%	0.728	S	S	*	*				148.7	143.4	116.3	-88.2	-52.5	0	0	0	117.9
948	N	33.5	Very low	31.4	Very low	113 Å²	113	151.3 Å²	151.3	60%	0.604	73%	0.734	S	S	*	*			trans	63.8	151.4	146.4	-68.5	-27	0	0	0	121
949	R	31.7	Very low	31.5	Very low	205 Å²	205	152.2 Å²	152.2	77%	0.774	74%	0.74	S	S	*	*			cis	-168.3	172.8	-28	-117.4	173.6	-154.8	173.6	9.6	108.3
950	N	36.4	Very low	31.8	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	75%	0.75	S	S	*	*			trans	73.4	112.7	172.3	-49.5	-28.7	0	0	0	115.1
951	R	30.9	Very low	31.9	Very low	224 Å²	224	153.7 Å²	153.7	85%	0.845	75%	0.752	S	S	*	*			cis	83.1	107.5	18.1	-155.4	-167	-162.8	-173.5	7.2	116.1
952	K	37.5	Very low	32	Very low	215 Å²	215	154.7 Å²	154.7	94%	0.935	76%	0.763	S	S	*	*			trans	-158.1	155.7	144.5	-107.2	167.1	-175.9	-179.8	0	109.7
953	H	30.6	Very low	32.3	Very low	161 Å²	161	149.6 Å²	149.6	75%	0.745	76%	0.758	S	S	*	*			trans	-138.3	150.7	-162.3	-101.2	-68.6	0	0	0	113.5
954	F	32.8	Very low	32.1	Very low	195 Å²	195	153 Å²	153	86%	0.855	77%	0.769	S	S	*	*			trans	-159.9	144.1	155.5	-90.2	-64.7	0	0	0	105.8
955	K	30	Very low	32.2	Very low	175 Å²	175	155 Å²	155	76%	0.761	77%	0.774	S	S	*	*			cis	68.8	143.9	6.4	-97.9	-170.2	167	-164.3	0	116.2
956	T	32	Very low	32	Very low	106 Å²	106	152 Å²	152	65%	0.65	77%	0.771	S	S	*	*			cis	-135.9	135.3	8.7	11.6	0	0	0	0	109.4
957	V	29.7	Very low	31.8	Very low	104 Å²	104	157.3 Å²	157.3	63%	0.63	79%	0.786	S	S	*	*				57.1	113.2	95.8	179.8	0	0	0	0	115
958	F	32.8	Very low	31.6	Very low	202 Å²	202	157.9 Å²	157.9	89%	0.886	79%	0.789	S	S	*	*				-158.5	140.2	123.6	-123.5	-80.5	0	0	0	111.4
959	D	27.9	Very low	31.4	Very low	149 Å²	149	156.4 Å²	156.4	80%	0.797	79%	0.787	S	S	*	*			trans	-96.5	147.3	175.9	-76.5	-75.5	0	0	0	111.5
960	G	34.2	Very low	31.2	Very low	80 Å²	80	157 Å²	157	83%	0.825	80%	0.796	S	S	*	*			trans	-160	116.1	172.5	0	0	0	0	0	111.3
961	K	32.6	Very low	30.8	Very low	200 Å²	200	156.5 Å²	156.5	87%	0.87	79%	0.792	S	S	*	*			trans	-100.1	135.8	-171.9	-57.2	169.3	-175.7	170.4	0	112.3
962	T	34.7	Very low	30.7	Very low	142 Å²	142	149.5 Å²	149.5	87%	0.871	79%	0.789	S	S	*	*				-160.4	138.3	128.8	17.9	0	0	0	0	109.8
963	P	35.1	Very low	30.3	Very low	111 Å²	111	145.5 Å²	145.5	72%	0.721	77%	0.774	S	S	*	*			trans	-102.6	167.2	170.1	39.2	-32.7	0	0	0	111.7
964	I	29.7	Very low	30.3	Very low	147 Å²	147	144.9 Å²	144.9	75%	0.754	77%	0.765	S	S	*	*			trans	175.1	156.8	132.5	-91.9	155.6	0	0	0	109.4
965	E	29.9	Very low	30.2	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	76%	0.764	S	S	*	*			trans	60.3	104.4	172.6	-82.7	148	-130.4	0	0	118.9
966	S	29.1	Very low	30.1	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	77%	0.765	S	S	*	*			trans	-63.9	129.9	171.3	41.7	0	0	0	0	113.3	D968	S966-D968 PolarHBondContact O-N 3.37Å; S966-D968 VanDerWaalsContact O-N 3.16Å
967	F	25.7	Very low	30.2	Very low	219 Å²	219	144.2 Å²	144.2	96%	0.961	78%	0.776	S	S	*	*			trans	-69.4	101	154.7	-82.8	-102.4	0	0	0	109.2
968	D	26.8	Very low	30.4	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	78%	0.775	S	S	*	*			trans	-100.5	140.3	163.5	-107.6	-41	0	0	0	111	S966	S966-D968 PolarHBondContact O-N 3.37Å; S966-D968 VanDerWaalsContact O-N 3.16Å
969	S	28.6	Very low	30.5	Very low	81 Å²	81	140.4 Å²	140.4	57%	0.566	77%	0.774	S	S	*	*			trans	-8.7	129.2	176.9	54	0	0	0	0	119.9	I971	S969-I971 PolarHBondContact O-N 3.47Å
970	F	28.1	Very low	30.7	Very low	217 Å²	217	143.5 Å²	143.5	95%	0.952	78%	0.776	S	S	*	*			trans	-49.2	116.4	153.8	-86	-119.6	0	0	0	111
971	I	27.5	Very low	30.7	Very low	140 Å²	140	147.1 Å²	147.1	72%	0.718	78%	0.775	S	S	*	*			trans	-128.9	76.6	168	-55.7	-178.3	0	0	0	109.1	S969 E973	S969-I971 PolarHBondContact O-N 3.47Å; I971-E973 HydrophobicContact CG2-CG 4.39Å
972	G	29.5	Very low	30.6	Very low	76 Å²	76	145.3 Å²	145.3	78%	0.784	77%	0.769	S	S	*	*			trans	-103.4	90	165.9	0	0	0	0	0	109.2
973	E	29.5	Very low	30.5	Very low	131 Å²	131	146.5 Å²	146.5	61%	0.612	77%	0.77	S	S	*	*			trans	-65.4	142.7	-166.3	-24.6	155.6	113.4	0	0	113.2	R248 I971	R248-E973 IonicContact CZ-OE2 2.79Å; R248-E973 PolarHBondContact NH1-O 3.05Å; R248-E973 IonicContact NH1-OE2 3.77Å; R248-E973 PolarHBondContact NH1-OE2 3.26Å; R248-E973 PolarHBondContact NH2-O 3.16Å; I971-E973 HydrophobicContact CG2-CG 4.39Å
974	R	30.3	Very low	30.3	Very low	148 Å²	148	147.2 Å²	147.2	56%	0.558	77%	0.772	S	S	*	*			trans	-163.1	155.2	135.2	-109.5	172.8	175.6	-157.6	-6.7	108.5	V976	R974-V976 PolarHBondContact O-N 2.75Å
975	P	30.3	Very low	30.3	Very low	128 Å²	128	147 Å²	147	83%	0.831	77%	0.772	S	S	*	*			trans	-74	115.7	-148.7	25.6	-34.8	0	0	0	114.1
976	V	29	Very low	30.5	Very low	129 Å²	129	146.3 Å²	146.3	78%	0.782	77%	0.774	S	S	*	*			trans	-73.6	128.8	171.8	179.6	0	0	0	0	110	R974	R974-V976 PolarHBondContact O-N 2.75Å
977	K	33.5	Very low	30.5	Very low	206 Å²	206	146.6 Å²	146.6	90%	0.896	78%	0.776	S	S	*	*			trans	-107.5	121.4	154.4	-93	-174.2	173.6	178.4	0	109.6
978	S	32.9	Very low	30.9	Very low	88 Å²	88	145.5 Å²	145.5	62%	0.615	77%	0.771	S	S	*	*			trans	-71	144.3	-165.8	-175.7	0	0	0	0	113.3
979	T	36	Very low	30.9	Very low	138 Å²	138	149.8 Å²	149.8	85%	0.847	78%	0.776	S	S	*	*			trans	-124.1	120.5	147.8	-64.6	0	0	0	0	106.5
980	Y	32.1	Very low	31	Very low	214 Å²	214	154.1 Å²	154.1	84%	0.839	79%	0.788	S	S	*	*			trans	-134.4	124.7	179.2	-131.9	-81.5	0	0	0	110.1
981	L	34.3	Very low	31	Very low	156 Å²	156	149.3 Å²	149.3	82%	0.817	78%	0.777	S	S	*	*			trans	-104.9	108.2	170.9	-96.6	171	0	0	0	110.2
982	H	30.7	Very low	31.2	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.745	78%	0.784	S	S	*	*				52.8	94.9	124.6	-157.6	-66.6	0	0	0	118.9
983	L	32.7	Very low	31.2	Very low	168 Å²	168	157 Å²	157	88%	0.88	79%	0.791	S	S	*	*			trans	-153	97.9	151.5	-115.7	161.7	0	0	0	111.9
984	V	30.5	Very low	31.4	Very low	126 Å²	126	155.8 Å²	155.8	76%	0.764	80%	0.797	S	S	*	*			trans	-130.8	102.7	168.7	177.9	0	0	0	0	108.8
985	N	30	Very low	31.6	Very low	141 Å²	141	159.6 Å²	159.6	75%	0.754	81%	0.811	S	S	*	*			trans	-177.3	108.8	152	-102.8	-28.8	0	0	0	110.8
986	N	33.5	Very low	31.8	Very low	163 Å²	163	161.1 Å²	161.1	87%	0.872	81%	0.812	S	S	*	*				-178.5	150	116.5	-99.4	-57	0	0	0	113.3
987	S	29.5	Very low	32.3	Very low	108 Å²	108	160.6 Å²	160.6	76%	0.755	81%	0.814	S	S	*	*			trans	-87.6	134.1	-175.5	-47.2	0	0	0	0	114
988	K	33.3	Very low	32.6	Very low	195 Å²	195	159.5 Å²	159.5	85%	0.848	81%	0.813	S	S	*	*			trans	-174.8	113.4	137.3	-93.6	140.6	-168.4	175.7	0	107.6
989	R	26.8	Very low	32.9	Very low	231 Å²	231	165.1 Å²	165.1	87%	0.872	83%	0.826	S	S	*	*				73.5	136.4	80.5	-93.8	-168.9	172.5	-172.9	-0.8	113.9
990	Q	30.5	Very low	33.1	Very low	172 Å²	172	167.7 Å²	167.7	80%	0.804	83%	0.825	S	S	*	*			trans	69.7	97.1	174.3	-63.5	170	-12.8	0	0	114.5
991	T	28.7	Very low	33.3	Very low	117 Å²	117	169 Å²	169	72%	0.718	83%	0.829	S	S	*	*				60.8	110.7	71.3	70.2	0	0	0	0	114.7
992	N	30.9	Very low	33.4	Very low	162 Å²	162	176.7 Å²	176.7	87%	0.866	85%	0.847	S	S	*	*				-164.9	123.5	121.3	-94.7	-30	0	0	0	111.4
993	K	30.9	Very low	33.5	Very low	214 Å²	214	177.5 Å²	177.5	93%	0.93	85%	0.852	S	S	*	*			trans	-79.2	135.9	161.9	-73.5	-178.9	175.4	-179.7	0	108
994	S	33.2	Very low	33.6	Very low	106 Å²	106	178 Å²	178	74%	0.741	85%	0.851	S	S	*	*			trans	-153	96.8	166.7	-169	0	0	0	0	112.7
995	R	34.4	Very low	33.8	Very low	228 Å²	228	180.9 Å²	180.9	86%	0.86	86%	0.856	S	S	*	*				161.3	109.6	126.3	-88.7	166.7	178.6	167.9	0.3	111
996	N	34.2	Very low	34	Very low	160 Å²	160	183.2 Å²	183.2	86%	0.856	86%	0.862	S	S	*	*				-167.3	165.2	122.5	-104.3	-20.3	0	0	0	111.9
997	S	40.1	Very low	34	Very low	118 Å²	118	184.5 Å²	184.5	83%	0.825	86%	0.861	S	S	*	*			trans	66.4	96.4	166.5	-56.2	0	0	0	0	118
998	Q	38.7	Very low	34.3	Very low	184 Å²	184	189.6 Å²	189.6	86%	0.86	87%	0.868	S	S	*	*			trans	-73.5	137.7	155.8	-55.4	162.3	-32.3	0	0	109.8
999	K	41	Very low	34.4	Very low	205 Å²	205	189.2 Å²	189.2	89%	0.891	87%	0.869	S	S	*	*				-179.3	143.8	118.5	-99.7	164.8	-178	174.3	0	114.6
1000	K	38.4	Very low	35	Very low	192 Å²	192	186 Å²	186	84%	0.835	87%	0.869	S	S	*	*			trans	-55.5	158.4	176.3	-93.7	172.4	169.6	171.1	0	115.6
1001	R	36.8	Very low	35.3	Very low	242 Å²	242	187.2 Å²	187.2	91%	0.913	88%	0.875	S	S	*	*			trans	73.2	144.8	162.8	-67.6	165.2	171.1	172.5	-5.8	114
1002	R	36.9	Very low	35.9	Very low	318 Å²	318	193.5 Å²	193.5	100%	1.2	89%	0.889	S	S	*	*			cis	-116.3	0	13.3	-164.9	174.6	-169	163.9	0.7	112.8

Retrieved 1,002 of 1,002 residues in 161 ms (Link to these results)

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