A0A093HTK0_STRCA Loading...

Zinc finger protein 217

AlphaFold DB , UniProt , Accession A0A093HTK0, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,076 aa.

						>A0A093HTK0_STRCA|A0A093HTK0
MPTQPLLAYMDGPDGIASTVGAQMENNDASMTIKGTNTISYKSLQEKFLMQAEGCMPLDCMFCDESFKHPEELGKHVLTQHRPTLCEPAVLRVEAEYLSRLDKCQVRTNLPLPNNEKDSEELSCEVCGQTFDEAFDVEAHMKKHKDSFTYWCNVCGRRFKEPWFLKNHMRTHTGKPGSRNKLQQGSESPITINEVVQEHVTENVTSPYKICMVCGFLFLNKETLIEHSKVHTKESVPNGESPQVTGESNQEETSQREEFLRFLNLRPNLVPENDKSQKPVKWIAELDPFNTYQAWQLATKGKVAVGHGQIKEPGQEGSTDNDDSSSDKEELGEIWNANKGSQTETTGKSKVNKNSSYTGNGNLSQDKLKHPGGEVPSMEMDSKLSQNKEKPTHCSECGKAFRTYHQLVLHSRVHKRDRRTDGETSAASRTCCADIIVSLDENGAVERMEGGSEDGSEDGLPETLNLDKNEDGLERAKVKNLGASRECSYCGKYFRSNYYLNIHLRTHTGEKPYKCEFCEYAAAQKTSLRYHLERHHKDKQADSAADVKNDSKVSLQSQETGLLLAADGAQETKNLKRLFDGAKDAEGCPPAKQQKEMMSLNNAIGSTVLFRMKDDSRESNKGSVCNSSNQIHENVSTSYLEKLKAEKEPKEAQPTDPHKREREASVASEGDDVQYVCALKDGKSVNNVRECTENYKHKHMVDSQEKPLNLSVGTSQECSVVSTARGLLAPTTCPFCTYRTFYPEVLMIHQRLMHKYNPDTVNKNGYRNKALAKARRTGCPPALLGKDVLPLSFNPNKNKASPSTQQKLLQTGKAKQCHPPQNKVPLFSVTDSNSTAPSNLKFHKQQSNVGAQANNYRQPQQEMHSSSSASPVLDRVKRPESKVKALSVPVSQSGVVGSSMNGALDSHLNESAWSCHRGRDYLCSKSVGNVNLEYGETSSKRMKPNLLAIEHIDSAMANYRRCEMSRFRVANRYANLLPQECSRTKPSSSGLPTKQGLLNSDDVDPPNVLTVLKPYEPYSSGSLYSSCGSSNGQVTSSTVEGKRSVSYHHLSNSMLQKRSYENLIGNAHFRPSDKKT
					

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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	30.6	Very low	32.7	Very low	225 Å²	225	158.1 Å²	158.1	100%	1.108	85%	0.852	S	S	*	*				0	99.4	0	-64.1	-51.8	-78.3	0	0	110.8
2	P	31.9	Very low	32.5	Very low	129 Å²	129	149.9 Å²	149.9	84%	0.838	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-78.4	141.3	164.9	-4.8	23.8	0	0	0	110.2
3	T	38.2	Very low	33.4	Very low	138 Å²	138	147.5 Å²	147.5	85%	0.847	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-97.2	118.6	174.6	50.5	0	0	0	0	110.8
4	Q	30.8	Very low	33.2	Very low	186 Å²	186	147.3 Å²	147.3	87%	0.869	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.1	149.1	162.9	-82.8	-174.2	-18.2	0	0	110.8
5	P	36.8	Very low	32.9	Very low	124 Å²	124	143 Å²	143	81%	0.805	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.2	129.1	173.7	32.5	-32.1	0	0	0	110.9
6	L	31.9	Very low	32.9	Very low	176 Å²	176	144.1 Å²	144.1	92%	0.921	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.5	136.7	172.4	-81.4	167.5	0	0	0	111.4
7	L	32.3	Very low	32.5	Very low	171 Å²	171	141.5 Å²	141.5	90%	0.895	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-67.4	150	168.9	-84	160.3	0	0	0	111	Y9	L7-Y9 PolarHBondContact O-N 3.34Å
8	A	31.6	Very low	32.4	Very low	98 Å²	98	139.4 Å²	139.4	81%	0.81	82%	0.82	S	S	*	*			trans	-78.5	101.8	178.4	0	0	0	0	0	111
9	Y	29.5	Very low	32.2	Very low	195 Å²	195	138.8 Å²	138.8	77%	0.765	82%	0.819	S	S	*	*			trans	-81.7	117.1	161.4	-163.9	-96.2	0	0	0	108.5	L7 D11	L7-Y9 PolarHBondContact O-N 3.34Å; Y9-D11 HydrophobicContact CD1-CB 4.03Å; Y9-D11 HydrophobicContact CE1-CB 3.29Å; Y9-D11 PolarHBondContact OH-OD2 3.06Å
10	M	33.7	Very low	32.1	Very low	177 Å²	177	139.2 Å²	139.2	87%	0.872	82%	0.822	S	S	*	*			trans	-121.5	115.5	168.6	-87.4	-132.7	65.1	0	0	108.2
11	D	32.9	Very low	31.8	Very low	120 Å²	120	135.5 Å²	135.5	64%	0.642	81%	0.813	S	S	*	*			trans	-146.2	145	175.5	-154.3	-6.1	0	0	0	107.7	Y9	Y9-D11 HydrophobicContact CD1-CB 4.03Å; Y9-D11 HydrophobicContact CE1-CB 3.29Å; Y9-D11 PolarHBondContact OH-OD2 3.06Å
12	G	30	Very low	31.7	Very low	60 Å²	60	129.5 Å²	129.5	62%	0.619	80%	0.8	S	S	*	*			trans	-143.3	128.4	-167	0	0	0	0	0	110.7
13	P	44.2	Very low	31.5	Very low	118 Å²	118	131.8 Å²	131.8	77%	0.766	80%	0.799	S	S	*	*			trans	-78.2	143.5	-161.4	29.3	-36	0	0	0	114.7
14	D	30.9	Very low	31	Very low	145 Å²	145	131.7 Å²	131.7	78%	0.775	79%	0.79	S	S	*	*			trans	54.9	90.6	139.7	-52.5	-33	0	0	0	119.3
15	G	28.2	Very low	31.1	Very low	83 Å²	83	129.4 Å²	129.4	86%	0.856	78%	0.78	S	S	*	*			trans	-103.2	89	156.1	0	0	0	0	0	111.3	A17	G15-A17 PolarHBondContact O-N 3.48Å
16	I	32.2	Very low	30.8	Very low	160 Å²	160	128.9 Å²	128.9	82%	0.821	77%	0.77	S	S	*	*			trans	-71.6	118.2	-176.5	-52.8	170.1	0	0	0	110.9
17	A	26.9	Very low	30.7	Very low	100 Å²	100	127.9 Å²	127.9	83%	0.826	77%	0.766	S	S	*	*			trans	-148.5	92	168.8	0	0	0	0	0	111.4	G15	G15-A17 PolarHBondContact O-N 3.48Å
18	S	29.9	Very low	30.6	Very low	104 Å²	104	126.6 Å²	126.6	73%	0.727	76%	0.76	S	S	*	*			trans	-87.7	155.5	167.9	-62.1	0	0	0	0	111.9
19	T	29.8	Very low	30.6	Very low	129 Å²	129	126 Å²	126	79%	0.791	76%	0.755	S	S	*	*			trans	115.5	134.3	150.9	68.4	0	0	0	0	117.2
20	V	29.7	Very low	30.7	Very low	145 Å²	145	121.6 Å²	121.6	88%	0.879	75%	0.753	S	S	*	*			trans	63.5	135.2	169.8	-157.7	0	0	0	0	116.1
21	G	26.5	Very low	30.4	Very low	63 Å²	63	120.7 Å²	120.7	65%	0.649	75%	0.748	S	S	*	*			cis	142.2	132.1	-8.5	0	0	0	0	0	113.5
22	A	27.4	Very low	30.2	Very low	99 Å²	99	120 Å²	120	82%	0.818	75%	0.749	S	S	*	*			trans	66.3	121.6	167.9	0	0	0	0	0	119.8
23	Q	29	Very low	30.2	Very low	176 Å²	176	124.4 Å²	124.4	82%	0.822	76%	0.756	S	S	*	*			trans	158	113.4	147.1	-83.7	-79.8	-49.5	0	0	104.4
24	M	27.1	Very low	29.7	Very low	136 Å²	136	128.7 Å²	128.7	67%	0.67	76%	0.763	S	S	*	*				56.3	128.2	50.1	-60.5	179.9	68	0	0	111.7
25	E	32.5	Very low	29.6	Very low	139 Å²	139	125.2 Å²	125.2	65%	0.65	76%	0.761	S	S	*	*			cis	-158.8	157.7	2.5	-117.3	-177.8	132.2	0	0	112.1
26	N	31.1	Very low	29.8	Very low	113 Å²	113	127.5 Å²	127.5	60%	0.604	76%	0.759	S	S	*	*			trans	42.3	123	146.1	-47.9	-24.5	0	0	0	121.3
27	N	29.8	Very low	29.8	Very low	154 Å²	154	127.7 Å²	127.7	82%	0.824	76%	0.761	S	S	*	*				178.6	156.5	93	-92.6	-72	0	0	0	113.8
28	D	29.4	Very low	30.2	Very low	145 Å²	145	129.4 Å²	129.4	78%	0.775	76%	0.762	S	S	*	*			trans	-64.4	140.5	-176.5	-70.5	-70.6	0	0	0	114.9
29	A	31.7	Very low	30.5	Very low	84 Å²	84	132.1 Å²	132.1	69%	0.694	77%	0.767	S	S	*	*				64.7	100.5	67.9	0	0	0	0	0	112.8
30	S	31.6	Very low	30.5	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	76%	0.755	S	S	*	*				-177.5	-170.7	90	52.1	0	0	0	0	110
31	M	28	Very low	30.9	Very low	158 Å²	158	131.5 Å²	131.5	78%	0.778	75%	0.747	S	S	*	*			cis	-156.5	-167.6	17.8	-131.7	-40.2	108.9	0	0	111.8
32	T	28.7	Very low	31.6	Very low	106 Å²	106	136.9 Å²	136.9	65%	0.65	75%	0.753	S	S	*	*			trans	-104.9	179.3	-170.6	57.3	0	0	0	0	113.2
33	I	30.4	Very low	32	Very low	151 Å²	151	135.7 Å²	135.7	77%	0.774	74%	0.739	S	S	*	*			cis	-148.9	164.8	20.6	-47.3	164.1	0	0	0	110.1
34	K	32.9	Very low	32.6	Very low	208 Å²	208	131.7 Å²	131.7	90%	0.904	72%	0.722	S	S	*	*			trans	95.5	115	165.6	-57.9	-178.7	-179	178.3	0	115.1
35	G	28.5	Very low	33.3	Very low	72 Å²	72	130.7 Å²	130.7	74%	0.742	72%	0.716	S	S	*	*			cis	-177.3	114	-8.1	0	0	0	0	0	112.4
36	T	32.6	Very low	33.6	Very low	131 Å²	131	131.2 Å²	131.2	80%	0.804	72%	0.718	S	S	*	*			trans	-139.5	133.1	179.2	40.9	0	0	0	0	109.6	T38	T36-T38 PolarHBondContact O-N 3.48Å
37	N	31.7	Very low	34.1	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	72%	0.722	S	S	*	*			trans	-82.8	104.7	-170.6	-70.7	-10	0	0	0	112
38	T	35.7	Very low	34.4	Very low	136 Å²	136	131.8 Å²	131.8	83%	0.834	71%	0.708	S	S	*	*			trans	-79.5	128.9	162.1	51.8	0	0	0	0	110.3	T36	T36-T38 PolarHBondContact O-N 3.48Å
39	I	36.9	Very low	35	Very low	162 Å²	162	130.5 Å²	130.5	83%	0.831	70%	0.701	S	S	*	*			trans	-105.3	147.5	170.6	-66.6	-179.5	0	0	0	109.8
40	S	29.4	Very low	35.4	Very low	79 Å²	79	134.1 Å²	134.1	55%	0.552	71%	0.705	S	S	*	*			trans	-73.1	141.5	-155.9	-177	0	0	0	0	116.2	K42 S43	S40-K42 PolarHBondContact O-N 3.25Å; S40-K42 VanDerWaalsContact O-N 3.1Å; S40-K42 PolarHBondContact OG-N 2.68Å; S40-S43 PolarHBondContact O-N 2.94Å
41	Y	37.2	Very low	35.9	Very low	181 Å²	181	136.1 Å²	136.1	71%	0.71	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-21.8	174.9	-159.3	-100	0	0	0	114	S43 L44	Y41-S43 VanDerWaalsContact C-N 3.26Å; Y41-S43 PolarHBondContact O-N 3.46Å; Y41-L44 PolarHBondContact O-N 2.59Å; Y41-L44 VanDerWaalsContact O-N 3.16Å
42	K	41	Very low	36.5	Very low	176 Å²	176	132.6 Å²	132.6	77%	0.765	70%	0.699	S	S	*	*	H	α-helix	trans	-64.1	-24.6	179.9	-71.2	-168.5	174.4	-174.5	0	114.2	S40 L44	S40-K42 PolarHBondContact O-N 3.25Å; S40-K42 VanDerWaalsContact O-N 3.1Å; S40-K42 PolarHBondContact OG-N 2.68Å; K42-L44 VanDerWaalsContact C-N 3.28Å; K42-L44 PolarHBondContact O-N 3.2Å
43	S	36.9	Very low	37.3	Very low	75 Å²	75	135.6 Å²	135.6	52%	0.524	71%	0.706	S	S	.	*	H	α-helix	trans	-77.6	-10	177.3	-168.9	0	0	0	0	113.9	S40 Y41	S40-S43 PolarHBondContact O-N 2.94Å; Y41-S43 VanDerWaalsContact C-N 3.26Å; Y41-S43 PolarHBondContact O-N 3.46Å
44	L	42.4	Very low	38.3	Very low	91 Å²	91	132.5 Å²	132.5	48%	0.476	71%	0.711	S	S	.	*	H	α-helix	trans	-85.9	-38.8	175.2	-148.4	80.6	0	0	0	111.9	Y41 K42 E46 K47 F48	Y41-L44 PolarHBondContact O-N 2.59Å; Y41-L44 VanDerWaalsContact O-N 3.16Å; K42-L44 VanDerWaalsContact C-N 3.28Å; K42-L44 PolarHBondContact O-N 3.2Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.16Å; L44-K47 PolarHBondContact O-N 3.14Å; L44-F48 HydrophobicContact CD2-CD2 4.48Å; L44-F48 HydrophobicContact CD2-CE2 4.18Å; L44-F48 HydrophobicContact CG-CD2 4.28Å; L44-F48 HydrophobicContact CG-CE2 4.27Å; L44-F48 PolarHBondContact O-N 3.36Å
45	Q	41.4	Very low	39.1	Very low	115 Å²	115	125.5 Å²	125.5	54%	0.537	69%	0.688	S	S	.	*	H	α-helix	trans	-59	-42.2	-176.4	-153.7	81.8	34.5	0	0	112.4	K47 F48 L49	Q45-K47 VanDerWaalsContact C-N 3.29Å; Q45-K47 PolarHBondContact O-N 3.2Å; Q45-F48 PolarHBondContact O-N 3.25Å; Q45-F48 VanDerWaalsContact O-N 3.14Å; Q45-L49 PolarHBondContact O-N 3.06Å
46	E	39	Very low	40.4	Very low	150 Å²	150	129.6 Å²	129.6	70%	0.701	69%	0.69	S	S	*	*	H	α-helix	trans	-68.4	-27.9	-177.8	-160.7	164.3	-127.6	0	0	112.5	L44	L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 3.16Å
47	K	40.7	Very low	41.9	Very low	154 Å²	154	127.2 Å²	127.2	67%	0.67	68%	0.676	S	S	*	*	H	α-helix	trans	-79.5	-24.7	172.4	-69.7	-179.9	177.5	175.2	0	113.3	L44 Q45	L44-K47 PolarHBondContact O-N 3.14Å; Q45-K47 VanDerWaalsContact C-N 3.29Å; Q45-K47 PolarHBondContact O-N 3.2Å
48	F	36.8	Very low	43.7	Very low	125 Å²	125	122.4 Å²	122.4	55%	0.548	65%	0.65	S	S	.	*	H	α-helix	trans	-81.7	-23	173.3	-92.5	-80.1	0	0	0	113.4	L44 Q45 Q51	L44-F48 HydrophobicContact CD2-CD2 4.48Å; L44-F48 HydrophobicContact CD2-CE2 4.18Å; L44-F48 HydrophobicContact CG-CD2 4.28Å; L44-F48 HydrophobicContact CG-CE2 4.27Å; L44-F48 PolarHBondContact O-N 3.36Å; Q45-F48 PolarHBondContact O-N 3.25Å; Q45-F48 VanDerWaalsContact O-N 3.14Å; F48-Q51 PolarHBondContact O-N 3.46Å
49	L	41.9	Very low	45.5	Very low	118 Å²	118	121.2 Å²	121.2	62%	0.618	64%	0.639	S	S	*	*	H	α-helix	trans	-76.9	-23	175.3	-86.2	161.5	0	0	0	113.8	Q45 Q51	Q45-L49 PolarHBondContact O-N 3.06Å; L49-Q51 PolarHBondContact O-N 2.72Å
50	M	39.8	Very low	47.7	Very low	160 Å²	160	114 Å²	114	79%	0.788	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	24.4	167.1	-67.7	-76.6	93.5	0	0	113.1
51	Q	42.2	Very low	49.8	Very low	146 Å²	146	118.8 Å²	118.8	68%	0.682	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	14	173.4	-152.1	170.5	23.2	0	0	112.7	F48 L49	F48-Q51 PolarHBondContact O-N 3.46Å; L49-Q51 PolarHBondContact O-N 2.72Å
52	A	41.1	Very low	51.4	Low	84 Å²	84	115.2 Å²	115.2	69%	0.694	61%	0.607	S	S	*	*	S	Bend	trans	-97.2	-24.8	178.5	0	0	0	0	0	113.9
53	E	44	Very low	53.3	Low	170 Å²	170	108.5 Å²	108.5	79%	0.794	58%	0.582	S	S	*	*	S	Bend	trans	-106	116.1	171.7	-70.4	-175.4	125.8	0	0	109.8	C55	E53-C55 VanDerWaalsContact C-N 3.31Å; E53-C55 PolarHBondContact O-N 3.21Å
54	G	53	Low	55	Low	86 Å²	86	112.9 Å²	112.9	89%	0.887	60%	0.599	S	S	*	*			trans	-79.3	62	-167.7	0	0	0	0	0	115.3
55	C	48.1	Very low	56.6	Low	61 Å²	61	113.1 Å²	113.1	41%	0.412	60%	0.598	S	S	.	*			trans	-126.5	80.8	177.6	-76.4	0	0	0	0	111.7	E53 K68 H69	E53-C55 VanDerWaalsContact C-N 3.31Å; E53-C55 PolarHBondContact O-N 3.21Å; C55-K68 PolarHBondContact SG-O 3.19Å; C55-H69 VanDerWaalsContact SG-CE1 3.51Å
56	M	55.8	Low	58.3	Low	158 Å²	158	111.3 Å²	111.3	78%	0.778	60%	0.598	S	S	*	*			trans	-64.9	133.3	158	-71.3	-64.8	-62	0	0	108.2	L58	M56-L58 PolarHBondContact O-N 2.74Å
57	P	64.8	Low	60.2	Low	80 Å²	80	105.7 Å²	105.7	52%	0.519	57%	0.571	S	S	.	*			trans	-59.9	134.1	176.9	24.6	-32.9	0	0	0	110.5	F67	P57-F67 WeakPolarHBondContact CA-O 3.16Å
58	L	69.8	Low	61.4	Low	64 Å²	64	105.5 Å²	105.5	34%	0.335	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	100.5	-178.8	-61.9	177.6	0	0	0	108.8	M56 F67 P70 L73	M56-L58 PolarHBondContact O-N 2.74Å; L58-F67 PolarHBondContact N-O 3.38Å; L58-F67 PolarHBondContact O-N 3.1Å; L58-P70 HydrophobicContact CD1-CB 4.11Å; L58-P70 HydrophobicContact CD1-CG 3.81Å; L58-L73 HydrophobicContact CB-CD2 3.84Å
59	D	74.4	Confident	63	Low	111 Å²	111	103.5 Å²	103.5	59%	0.594	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.3	140.2	177.3	-53.5	-28.3	0	0	0	110.7	S66	D59-S66 WeakPolarHBondContact OD1-CB 3.28Å
60	C	81.6	Confident	64.2	Low	11 Å²	11	101.6 Å²	101.6	7%	0.074	56%	0.557	C	S	.	*			trans	-67	137.3	172.3	-175	0	0	0	0	110.5	F62 C63 E65 F67 L73 H76	C60-F62 PolarHBondContact O-N 2.93Å; C60-F62 PolarHBondContact SG-N 2.83Å; C60-F62 VanDerWaalsContact SG-N 3.43Å; C60-C63 WeakPolarHBondContact CB-O 3.08Å; C60-C63 VanDerWaalsContact CB-SG 3.57Å; C60-C63 VanDerWaalsContact SG-SG 3.68Å; C60-E65 PolarHBondContact N-O 3.49Å; C60-F67 HydrophobicContact CB-CE2 4.37Å; C60-L73 HydrophobicContact CB-CD1 3.86Å; C60-H76 PolarHBondContact SG-NE2 3.42Å
61	M	73.7	Confident	65.7	Low	179 Å²	179	99.6 Å²	99.6	88%	0.882	55%	0.546	S	S	*	.	S	Bend	trans	-76.9	-2.4	176.5	-68.8	-169.3	66.8	0	0	113.7
62	F	71.9	Confident	67.2	Low	106 Å²	106	96.7 Å²	96.7	47%	0.465	53%	0.532	S	S	.	.	S	Bend	trans	-126.3	-10.4	-170.7	-55.3	-84.4	0	0	0	114	C60 V77 H81	C60-F62 PolarHBondContact O-N 2.93Å; C60-F62 PolarHBondContact SG-N 2.83Å; C60-F62 VanDerWaalsContact SG-N 3.43Å; F62-V77 HydrophobicContact CD2-CG1 3.69Å; F62-V77 HydrophobicContact CD2-CG2 4.45Å; F62-V77 HydrophobicContact CE2-CG1 3.62Å; F62-H81 HydrophobicContact CB-CB 4.47Å; F62-H81 VanDerWaalsContact CB-CE1 3.48Å; F62-H81 WeakPolarHBondContact CB-CE1 3.46Å; F62-H81 HydrophobicContact CG-CB 4.48Å
63	C	80.4	Confident	68.8	Low	35 Å²	35	94.2 Å²	94.2	24%	0.236	51%	0.507	C	S	.	.	S	Bend	trans	-154.4	166.8	173.2	70.4	0	0	0	0	109.7	C60 E65 H76	C60-C63 WeakPolarHBondContact CB-O 3.08Å; C60-C63 VanDerWaalsContact CB-SG 3.57Å; C60-C63 VanDerWaalsContact SG-SG 3.68Å; C63-E65 PolarHBondContact O-N 2.72Å; C63-E65 VanDerWaalsContact O-N 3.16Å; C63-H76 VanDerWaalsContact SG-CE1 3.57Å; C63-H76 PolarHBondContact SG-NE2 2.89Å
64	D	72.3	Confident	70	Confident	166 Å²	166	87.7 Å²	87.7	89%	0.888	49%	0.486	S	S	*	.	S	Bend	trans	-83.5	26	-177.6	-59.8	-61.6	0	0	0	113.7
65	E	76.7	Confident	71.1	Confident	96 Å²	96	90.2 Å²	90.2	45%	0.449	47%	0.472	S	S	.	.			trans	-85.9	142.4	174.2	-69.9	178	-141.1	0	0	112	C60 C63 F67 H76	C60-E65 PolarHBondContact N-O 3.49Å; C63-E65 PolarHBondContact O-N 2.72Å; C63-E65 VanDerWaalsContact O-N 3.16Å; E65-F67 HydrophobicContact CB-CE2 3.74Å; E65-F67 HydrophobicContact CB-CZ 3.9Å; E65-F67 WeakPolarHBondContact OE2-CZ 3.43Å; E65-H76 VanDerWaalsContact CD-CE1 3.41Å; E65-H76 IonicContact OE1-CE1 3.31Å; E65-H76 IonicContact OE2-CE1 2.76Å; E65-H76 PolarHBondContact OE2-CE1 2.87Å; E65-H76 IonicContact OE2-ND1 3.21Å; E65-H76 PolarHBondContact OE2-ND1 2.84Å
66	S	75.6	Confident	72.7	Confident	77 Å²	77	88 Å²	88	54%	0.538	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.3	-178.9	60	0	0	0	0	112.2	D59	D59-S66 WeakPolarHBondContact OD1-CB 3.28Å
67	F	79.6	Confident	73.4	Confident	32 Å²	32	81.2 Å²	81.2	14%	0.14	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.5	-171.4	-63.2	-84.8	0	0	0	111.8	P57 L58 C60 E65 E72 L73 H76	P57-F67 WeakPolarHBondContact CA-O 3.16Å; L58-F67 PolarHBondContact N-O 3.38Å; L58-F67 PolarHBondContact O-N 3.1Å; C60-F67 HydrophobicContact CB-CE2 4.37Å; E65-F67 HydrophobicContact CB-CE2 3.74Å; E65-F67 HydrophobicContact CB-CZ 3.9Å; E65-F67 WeakPolarHBondContact OE2-CZ 3.43Å; F67-E72 HydrophobicContact CB-CB 4.31Å; F67-E72 HydrophobicContact CD1-CB 3.79Å; F67-E72 HydrophobicContact CG-CB 4.38Å; F67-L73 HydrophobicContact CB-CB 3.98Å; F67-L73 HydrophobicContact CD2-CB 3.9Å; F67-L73 HydrophobicContact CD2-CD1 3.7Å; F67-L73 HydrophobicContact CD2-CG 4.36Å; F67-L73 HydrophobicContact CE2-CD1 4Å; F67-L73 HydrophobicContact CG-CB 3.99Å; F67-H76 HydrophobicContact CE1-CB 3.95Å; F67-H76 HydrophobicContact CE2-CB 4.05Å; F67-H76 AromaticContact CE2-CD2 3.82Å; F67-H76 AromaticContact CE2-CG 3.72Å; F67-H76 HydrophobicContact CZ-CB 3.55Å; F67-H76 AromaticContact CZ-CD2 3.9Å; F67-H76 AromaticContact CZ-CG 3.33Å; F67-H76 AromaticContact CZ-ND1 3.42Å; F67-H76 WeakPolarHBondContact CZ-ND1 3.44Å
68	K	66.9	Low	73.7	Confident	151 Å²	151	82.2 Å²	82.2	66%	0.657	42%	0.424	S	S	*	.	S	Bend	trans	-86.5	-29.9	178.5	-67.1	-176.8	-179.2	-179.7	0	112.1	C55 E72	C55-K68 PolarHBondContact SG-O 3.19Å; K68-E72 PolarHBondContact N-OE2 2.92Å
69	H	69	Low	73.6	Confident	82 Å²	82	83.5 Å²	83.5	38%	0.38	43%	0.434	S	S	.	.	S	Bend	trans	-120.5	140.3	-177.8	-60.3	-68.7	0	0	0	112.7	C55 E71 E72 L73	C55-H69 VanDerWaalsContact SG-CE1 3.51Å; H69-E71 PolarHBondContact O-N 3.3Å; H69-E72 HydrophobicContact CB-CG 4.04Å; H69-E72 IonicContact CD2-OE1 3.98Å; H69-E72 IonicContact CD2-OE2 3.69Å; H69-E72 PolarHBondContact N-OE2 3.21Å; H69-E72 WeakPolarHBondContact O-CB 3.49Å; H69-E72 PolarHBondContact O-N 3.41Å; H69-E72 VanDerWaalsContact O-N 3.08Å; H69-L73 PolarHBondContact O-N 3.13Å
70	P	67.5	Low	73.1	Confident	78 Å²	78	84.4 Å²	84.4	51%	0.506	44%	0.435	S	S	.	.	H	α-helix	trans	-56.6	-32.6	177.7	-22.6	30.7	0	0	0	113.8	L58 E72 G74	L58-P70 HydrophobicContact CD1-CB 4.11Å; L58-P70 HydrophobicContact CD1-CG 3.81Å; P70-E72 VanDerWaalsContact C-N 3.31Å; P70-E72 PolarHBondContact O-N 3.2Å; P70-G74 PolarHBondContact O-N 3.43Å
71	E	71.1	Confident	72.5	Confident	119 Å²	119	85.6 Å²	85.6	56%	0.556	44%	0.439	S	S	*	.	H	α-helix	trans	-70.6	-27.5	179.9	-59.5	75.3	-167.3	0	0	112.2	H69 K75	H69-E71 PolarHBondContact O-N 3.3Å; E71-K75 WeakPolarHBondContact O-CB 3.25Å; E71-K75 VanDerWaalsContact O-CD 3.24Å; E71-K75 WeakPolarHBondContact O-CD 3.29Å; E71-K75 WeakPolarHBondContact O-CG 3.25Å; E71-K75 PolarHBondContact O-N 3.15Å; E71-K75 VanDerWaalsContact O-N 3.14Å
72	E	73.1	Confident	71.6	Confident	84 Å²	84	85.8 Å²	85.8	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-75.8	-48.9	175.8	-62.9	171.8	153	0	0	110.2	F67 K68 H69 P70 G74 K75 H76	F67-E72 HydrophobicContact CB-CB 4.31Å; F67-E72 HydrophobicContact CD1-CB 3.79Å; F67-E72 HydrophobicContact CG-CB 4.38Å; K68-E72 PolarHBondContact N-OE2 2.92Å; H69-E72 HydrophobicContact CB-CG 4.04Å; H69-E72 IonicContact CD2-OE1 3.98Å; H69-E72 IonicContact CD2-OE2 3.69Å; H69-E72 PolarHBondContact N-OE2 3.21Å; H69-E72 WeakPolarHBondContact O-CB 3.49Å; H69-E72 PolarHBondContact O-N 3.41Å; H69-E72 VanDerWaalsContact O-N 3.08Å; P70-E72 VanDerWaalsContact C-N 3.31Å; P70-E72 PolarHBondContact O-N 3.2Å; E72-G74 VanDerWaalsContact C-N 3.32Å; E72-G74 PolarHBondContact O-N 3.14Å; E72-K75 PolarHBondContact O-N 3.08Å; E72-H76 WeakPolarHBondContact O-CB 3.33Å; E72-H76 PolarHBondContact O-N 3.05Å
73	L	75.3	Confident	70.6	Confident	33 Å²	33	86.3 Å²	86.3	17%	0.173	45%	0.445	C	S	.	.	H	α-helix	trans	-57.9	-45.8	172.5	175.2	59.3	0	0	0	110.8	L58 C60 F67 H69 K75 H76 V77	L58-L73 HydrophobicContact CB-CD2 3.84Å; C60-L73 HydrophobicContact CB-CD1 3.86Å; F67-L73 HydrophobicContact CB-CB 3.98Å; F67-L73 HydrophobicContact CD2-CB 3.9Å; F67-L73 HydrophobicContact CD2-CD1 3.7Å; F67-L73 HydrophobicContact CD2-CG 4.36Å; F67-L73 HydrophobicContact CE2-CD1 4Å; F67-L73 HydrophobicContact CG-CB 3.99Å; H69-L73 PolarHBondContact O-N 3.13Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.21Å; L73-H76 PolarHBondContact O-N 3.1Å; L73-H76 VanDerWaalsContact O-N 3.15Å; L73-V77 HydrophobicContact CD1-CG2 3.65Å; L73-V77 HydrophobicContact CG-CG2 4.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 3.26Å
74	G	69.3	Low	69.2	Low	33 Å²	33	88.9 Å²	88.9	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-57.1	-44.5	177.4	0	0	0	0	0	112.7	P70 E72 L78	P70-G74 PolarHBondContact O-N 3.43Å; E72-G74 VanDerWaalsContact C-N 3.32Å; E72-G74 PolarHBondContact O-N 3.14Å; G74-L78 WeakPolarHBondContact O-CB 3.5Å; G74-L78 WeakPolarHBondContact O-CD1 3.38Å; G74-L78 VanDerWaalsContact O-CG 3.24Å; G74-L78 WeakPolarHBondContact O-CG 3.3Å; G74-L78 PolarHBondContact O-N 3.31Å; G74-L78 VanDerWaalsContact O-N 3.17Å
75	K	75.3	Confident	68	Low	139 Å²	139	84.7 Å²	84.7	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-63.6	-47.1	173.4	-71.9	162	-167.2	168.3	0	111.5	E71 E72 L73 V77 L78 T79	E71-K75 WeakPolarHBondContact O-CB 3.25Å; E71-K75 VanDerWaalsContact O-CD 3.24Å; E71-K75 WeakPolarHBondContact O-CD 3.29Å; E71-K75 WeakPolarHBondContact O-CG 3.25Å; E71-K75 PolarHBondContact O-N 3.15Å; E71-K75 VanDerWaalsContact O-N 3.14Å; E72-K75 PolarHBondContact O-N 3.08Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.21Å; K75-V77 PolarHBondContact O-N 3.19Å; K75-L78 CarbonylContact O-C 3.2Å; K75-L78 PolarHBondContact O-N 3.1Å; K75-T79 WeakPolarHBondContact O-CG2 3.39Å; K75-T79 PolarHBondContact O-N 2.85Å; K75-T79 PolarHBondContact O-OG1 3.27Å
76	H	81.9	Confident	66.1	Low	14 Å²	14	85.3 Å²	85.3	7%	0.065	45%	0.45	C	S	.	.	H	α-helix	trans	-57.6	-48.6	179.8	167.8	92.2	0	0	0	112.3	C60 C63 E65 F67 E72 L73 L78 T79 Q80 H81	C60-H76 PolarHBondContact SG-NE2 3.42Å; C63-H76 VanDerWaalsContact SG-CE1 3.57Å; C63-H76 PolarHBondContact SG-NE2 2.89Å; E65-H76 VanDerWaalsContact CD-CE1 3.41Å; E65-H76 IonicContact OE1-CE1 3.31Å; E65-H76 IonicContact OE2-CE1 2.76Å; E65-H76 PolarHBondContact OE2-CE1 2.87Å; E65-H76 IonicContact OE2-ND1 3.21Å; E65-H76 PolarHBondContact OE2-ND1 2.84Å; F67-H76 HydrophobicContact CE1-CB 3.95Å; F67-H76 HydrophobicContact CE2-CB 4.05Å; F67-H76 AromaticContact CE2-CD2 3.82Å; F67-H76 AromaticContact CE2-CG 3.72Å; F67-H76 HydrophobicContact CZ-CB 3.55Å; F67-H76 AromaticContact CZ-CD2 3.9Å; F67-H76 AromaticContact CZ-CG 3.33Å; F67-H76 AromaticContact CZ-ND1 3.42Å; F67-H76 WeakPolarHBondContact CZ-ND1 3.44Å; E72-H76 WeakPolarHBondContact O-CB 3.33Å; E72-H76 PolarHBondContact O-N 3.05Å; L73-H76 PolarHBondContact O-N 3.1Å; L73-H76 VanDerWaalsContact O-N 3.15Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-L78 PolarHBondContact O-N 3.44Å; H76-T79 PolarHBondContact O-N 3.35Å; H76-T79 PolarHBondContact O-OG1 3.3Å; H76-Q80 WeakPolarHBondContact O-CB 3.3Å; H76-Q80 PolarHBondContact O-N 3.15Å; H76-H81 AromaticContact CD2-CD2 3.94Å; H76-H81 AromaticContact NE2-CD2 3.5Å; H76-H81 AromaticContact NE2-NE2 3.33Å; H76-H81 PolarHBondContact NE2-NE2 3.47Å
77	V	71.8	Confident	63.9	Low	15 Å²	15	90 Å²	90	9%	0.091	46%	0.463	C	S	.	.	H	α-helix	trans	-68.4	-32.1	179.3	-165.7	0	0	0	0	111.2	F62 L73 K75 H81 R82 L85	F62-V77 HydrophobicContact CD2-CG1 3.69Å; F62-V77 HydrophobicContact CD2-CG2 4.45Å; F62-V77 HydrophobicContact CE2-CG1 3.62Å; L73-V77 HydrophobicContact CD1-CG2 3.65Å; L73-V77 HydrophobicContact CG-CG2 4.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 3.26Å; K75-V77 PolarHBondContact O-N 3.19Å; V77-H81 HydrophobicContact CG1-CB 3.71Å; V77-H81 CarbonylContact O-C 3.48Å; V77-H81 VanDerWaalsContact O-CA 3.28Å; V77-H81 WeakPolarHBondContact O-CA 3.4Å; V77-H81 WeakPolarHBondContact O-CB 3.47Å; V77-H81 PolarHBondContact O-N 2.96Å; V77-H81 VanDerWaalsContact O-N 3.16Å; V77-R82 PolarHBondContact O-N 3.44Å; V77-L85 HydrophobicContact CB-CD1 3.94Å; V77-L85 HydrophobicContact CG1-CD1 3.37Å; V77-L85 HydrophobicContact CG1-CG 3.89Å
78	L	70.1	Confident	61.9	Low	101 Å²	101	94.3 Å²	94.3	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-74.7	-23	175	-71.3	171.6	0	0	0	114.4	G74 K75 H76 R82 L85	G74-L78 WeakPolarHBondContact O-CB 3.5Å; G74-L78 WeakPolarHBondContact O-CD1 3.38Å; G74-L78 VanDerWaalsContact O-CG 3.24Å; G74-L78 WeakPolarHBondContact O-CG 3.3Å; G74-L78 PolarHBondContact O-N 3.31Å; G74-L78 VanDerWaalsContact O-N 3.17Å; K75-L78 CarbonylContact O-C 3.2Å; K75-L78 PolarHBondContact O-N 3.1Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-L78 PolarHBondContact O-N 3.44Å; L78-R82 WeakPolarHBondContact O-CB 3.26Å; L78-R82 VanDerWaalsContact O-CG 3.3Å; L78-R82 WeakPolarHBondContact O-CG 3.4Å; L78-L85 HydrophobicContact CD2-CB 4.42Å; L78-L85 HydrophobicContact CD2-CD1 3.93Å; L78-L85 HydrophobicContact CG-CD1 4.39Å
79	T	69.1	Low	60.2	Low	92 Å²	92	90.8 Å²	90.8	56%	0.564	49%	0.494	S	S	*	.	H	α-helix	trans	-95.9	-53.3	177.4	55.5	0	0	0	0	112.7	K75 H76	K75-T79 WeakPolarHBondContact O-CG2 3.39Å; K75-T79 PolarHBondContact O-N 2.85Å; K75-T79 PolarHBondContact O-OG1 3.27Å; H76-T79 PolarHBondContact O-N 3.35Å; H76-T79 PolarHBondContact O-OG1 3.3Å
80	Q	62.8	Low	58.8	Low	130 Å²	130	93.2 Å²	93.2	61%	0.607	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-34.9	-175.9	-56.5	-62.9	6.8	0	0	112.8	H76	H76-Q80 WeakPolarHBondContact O-CB 3.3Å; H76-Q80 PolarHBondContact O-N 3.15Å
81	H	68.3	Low	57.1	Low	35 Å²	35	96.5 Å²	96.5	16%	0.162	53%	0.527	C	S	.	.	S	Bend	trans	-107.5	25.8	-178.2	-58.3	-63.8	0	0	0	112.5	F62 H76 V77 P83 T84 L85	F62-H81 HydrophobicContact CB-CB 4.47Å; F62-H81 VanDerWaalsContact CB-CE1 3.48Å; F62-H81 WeakPolarHBondContact CB-CE1 3.46Å; F62-H81 HydrophobicContact CG-CB 4.48Å; H76-H81 AromaticContact CD2-CD2 3.94Å; H76-H81 AromaticContact NE2-CD2 3.5Å; H76-H81 AromaticContact NE2-NE2 3.33Å; H76-H81 PolarHBondContact NE2-NE2 3.47Å; V77-H81 HydrophobicContact CG1-CB 3.71Å; V77-H81 CarbonylContact O-C 3.48Å; V77-H81 VanDerWaalsContact O-CA 3.28Å; V77-H81 WeakPolarHBondContact O-CA 3.4Å; V77-H81 WeakPolarHBondContact O-CB 3.47Å; V77-H81 PolarHBondContact O-N 2.96Å; V77-H81 VanDerWaalsContact O-N 3.16Å; H81-P83 VanDerWaalsContact C-CD 3.43Å; H81-T84 PolarHBondContact O-N 2.98Å; H81-T84 PolarHBondContact O-OG1 2.94Å; H81-L85 PolarHBondContact O-N 3.34Å
82	R	55.6	Low	55.3	Low	183 Å²	183	100.5 Å²	100.5	69%	0.691	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-52.1	-40.1	179.6	-156.6	171.7	-172.2	-174.5	3.3	114.5	V77 L78 T84 L85	V77-R82 PolarHBondContact O-N 3.44Å; L78-R82 WeakPolarHBondContact O-CB 3.26Å; L78-R82 VanDerWaalsContact O-CG 3.3Å; L78-R82 WeakPolarHBondContact O-CG 3.4Å; R82-T84 PolarHBondContact O-N 3.05Å; R82-L85 PolarHBondContact O-N 3.29Å
83	P	50.7	Low	53.2	Low	118 Å²	118	102.9 Å²	102.9	77%	0.766	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-65.3	-18	176.2	-21.7	34.6	0	0	0	114.5	H81	H81-P83 VanDerWaalsContact C-CD 3.43Å
84	T	52.4	Low	51.1	Low	89 Å²	89	107.9 Å²	107.9	55%	0.546	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-102.2	-1.9	179.1	34.8	0	0	0	0	114.1	H81 R82	H81-T84 PolarHBondContact O-N 2.98Å; H81-T84 PolarHBondContact O-OG1 2.94Å; R82-T84 PolarHBondContact O-N 3.05Å
85	L	46.5	Very low	49.3	Very low	77 Å²	77	110.6 Å²	110.6	40%	0.403	60%	0.598	S	S	.	*			trans	-122	26.4	178.8	-75.3	-164.6	0	0	0	114.4	V77 L78 H81 R82 E87	V77-L85 HydrophobicContact CB-CD1 3.94Å; V77-L85 HydrophobicContact CG1-CD1 3.37Å; V77-L85 HydrophobicContact CG1-CG 3.89Å; L78-L85 HydrophobicContact CD2-CB 4.42Å; L78-L85 HydrophobicContact CD2-CD1 3.93Å; L78-L85 HydrophobicContact CG-CD1 4.39Å; H81-L85 PolarHBondContact O-N 3.34Å; R82-L85 PolarHBondContact O-N 3.29Å; L85-E87 PolarHBondContact O-N 3.44Å
86	C	35.8	Very low	47.1	Very low	109 Å²	109	111.7 Å²	111.7	74%	0.736	61%	0.605	S	S	*	*			trans	-64.4	118.9	158	-72.4	0	0	0	0	108.9
87	E	29.2	Very low	44.7	Very low	176 Å²	176	121.4 Å²	121.4	82%	0.822	64%	0.643	S	S	*	*			trans	-54.9	142.2	169.1	-69.2	-173	110.2	0	0	109.9	L85 A89	L85-E87 PolarHBondContact O-N 3.44Å; E87-A89 VanDerWaalsContact C-N 3.26Å; E87-A89 PolarHBondContact O-N 3.1Å
88	P	37.8	Very low	42.7	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	68%	0.675	S	S	*	*			trans	-67.5	92.8	166.3	29.5	-32.3	0	0	0	107.8	V90	P88-V90 PolarHBondContact O-N 3.4Å; P88-V90 VanDerWaalsContact O-N 3.07Å
89	A	31.1	Very low	40.6	Very low	78 Å²	78	127.5 Å²	127.5	65%	0.645	68%	0.683	S	S	*	*			trans	-49	119.2	178.3	0	0	0	0	0	109.2	E87 L91	E87-A89 VanDerWaalsContact C-N 3.26Å; E87-A89 PolarHBondContact O-N 3.1Å; A89-L91 PolarHBondContact O-N 3.43Å
90	V	40.5	Very low	38.8	Very low	132 Å²	132	134.6 Å²	134.6	80%	0.8	70%	0.699	S	S	*	*			trans	-75.7	74.2	-179.4	-175.7	0	0	0	0	108.1	P88 R92	P88-V90 PolarHBondContact O-N 3.4Å; P88-V90 VanDerWaalsContact O-N 3.07Å; V90-R92 PolarHBondContact O-N 3.26Å
91	L	31.2	Very low	37.4	Very low	148 Å²	148	135.9 Å²	135.9	78%	0.775	71%	0.709	S	S	*	*			trans	-67	90.5	169.2	-68.8	-177.6	0	0	0	108.1	A89 V93	A89-L91 PolarHBondContact O-N 3.43Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-V93 PolarHBondContact O-N 3.16Å
92	R	34	Very low	35.4	Very low	202 Å²	202	140.6 Å²	140.6	76%	0.762	74%	0.736	S	S	*	*			trans	-54.4	104.2	153.3	-58.7	176.7	-170	159.9	3.7	106.3	V90 E94	V90-R92 PolarHBondContact O-N 3.26Å; R92-E94 HydrophobicContact CB-CG 4.38Å; R92-E94 PolarHBondContact O-N 3.26Å
93	V	29.2	Very low	34.3	Very low	134 Å²	134	139.9 Å²	139.9	81%	0.812	74%	0.738	S	S	*	*			trans	-78.4	81.8	163.4	-177.2	0	0	0	0	106.1	L91 A95	L91-V93 VanDerWaalsContact C-N 3.34Å; L91-V93 PolarHBondContact O-N 3.16Å; V93-A95 PolarHBondContact O-N 2.9Å
94	E	30	Very low	33.1	Very low	139 Å²	139	139.4 Å²	139.4	65%	0.65	74%	0.736	S	S	*	*			trans	-62.5	122.1	160	-71.5	173.9	-170.3	0	0	106.4	R92 E96	R92-E94 HydrophobicContact CB-CG 4.38Å; R92-E94 PolarHBondContact O-N 3.26Å; E94-E96 PolarHBondContact O-N 3.04Å
95	A	32.2	Very low	32.1	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	75%	0.752	S	S	*	*			trans	-80.5	70.4	-171.7	0	0	0	0	0	110.8	V93 Y97	V93-A95 PolarHBondContact O-N 2.9Å; A95-Y97 PolarHBondContact O-N 2.98Å
96	E	29.8	Very low	31.2	Very low	161 Å²	161	147 Å²	147	75%	0.752	77%	0.772	S	S	*	*			trans	-62.6	107.8	173.2	-72.2	-158.8	122.2	0	0	110.5	E94 L98	E94-E96 PolarHBondContact O-N 3.04Å; E96-L98 PolarHBondContact O-N 3.24Å
97	Y	31.4	Very low	30.8	Very low	219 Å²	219	153.4 Å²	153.4	86%	0.859	78%	0.781	S	S	*	*			trans	-82.8	59.8	-169.8	-150.1	-87.6	0	0	0	111.9	A95 S99	A95-Y97 PolarHBondContact O-N 2.98Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 2.99Å
98	L	29.2	Very low	30.7	Very low	145 Å²	145	150.4 Å²	150.4	76%	0.759	78%	0.775	S	S	*	*			trans	-76.4	77.4	-177.1	-68.7	-179.5	0	0	0	112.6	E96 R100	E96-L98 PolarHBondContact O-N 3.24Å; L98-R100 PolarHBondContact O-N 2.99Å; L98-R100 VanDerWaalsContact O-N 3.16Å
99	S	25.3	Very low	30.2	Very low	99 Å²	99	151.8 Å²	151.8	69%	0.692	78%	0.775	S	S	*	*			trans	-65.4	106.5	167.8	-172.2	0	0	0	0	110.6	Y97 L101	Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-S99 PolarHBondContact O-N 2.99Å; S99-L101 PolarHBondContact O-N 3.43Å
100	R	32	Very low	30.5	Very low	240 Å²	240	154.8 Å²	154.8	91%	0.906	78%	0.78	S	S	*	*			trans	-76.9	102.9	175.6	-82.5	-172.1	170.4	-178.3	-1.9	111	L98	L98-R100 PolarHBondContact O-N 2.99Å; L98-R100 VanDerWaalsContact O-N 3.16Å
101	L	32.4	Very low	30.3	Very low	157 Å²	157	154.5 Å²	154.5	82%	0.822	78%	0.781	S	S	*	*			trans	-138.2	61.1	168	-155	84.1	0	0	0	112.9	S99	S99-L101 PolarHBondContact O-N 3.43Å
102	D	27.1	Very low	30.7	Very low	135 Å²	135	153.8 Å²	153.8	72%	0.722	78%	0.777	S	S	*	*			trans	-136	90.2	163.7	-141.3	12.2	0	0	0	114.7
103	K	32.3	Very low	31.3	Very low	167 Å²	167	149.6 Å²	149.6	73%	0.726	78%	0.776	S	S	*	*			trans	38.8	112.9	135.5	-52.9	-176.6	-154.7	86.9	0	121.1
104	C	26.4	Very low	31.2	Very low	108 Å²	108	149.7 Å²	149.7	73%	0.73	77%	0.772	S	S	*	*				46	111.5	119.1	-52.9	0	0	0	0	121.7
105	Q	29.9	Very low	31.3	Very low	189 Å²	189	149.5 Å²	149.5	88%	0.883	78%	0.775	S	S	*	*				-174	112.1	124.6	-99.9	151.1	100	0	0	108.2
106	V	28.8	Very low	31.5	Very low	136 Å²	136	154.2 Å²	154.2	82%	0.824	78%	0.782	S	S	*	*				59.4	92.9	74.9	-175.5	0	0	0	0	113.5
107	R	26.8	Very low	32.2	Very low	245 Å²	245	155.7 Å²	155.7	93%	0.925	79%	0.786	S	S	*	*				-154.7	144.8	128.2	-140.3	172.6	-172.9	170.5	2.8	113.9
108	T	26.8	Very low	32.5	Very low	113 Å²	113	152.4 Å²	152.4	69%	0.693	78%	0.783	S	S	*	*			trans	-63.6	142.2	179.4	-26	0	0	0	0	113.5
109	N	28.3	Very low	33.1	Very low	150 Å²	150	150.3 Å²	150.3	80%	0.802	78%	0.781	S	S	*	*				174.2	147.2	115.3	-83.6	-20.4	0	0	0	111.8
110	L	37.7	Very low	34.6	Very low	141 Å²	141	153.7 Å²	153.7	74%	0.738	79%	0.786	S	S	*	*			trans	-140.8	147.7	170.3	-144.9	82.5	0	0	0	108.3	L112	L110-L112 HydrophobicContact CD2-CD1 3.78Å
111	P	34.8	Very low	35.9	Very low	126 Å²	126	148 Å²	148	82%	0.818	77%	0.769	S	S	*	*				-133.3	158.3	113.5	9.5	12.3	0	0	0	114.5
112	L	41.4	Very low	37.7	Very low	133 Å²	133	143.9 Å²	143.9	70%	0.696	75%	0.748	S	S	*	*			trans	-71.4	171.3	165.8	-113.5	64.7	0	0	0	111	L110	L110-L112 HydrophobicContact CD2-CD1 3.78Å
113	P	46.2	Very low	39.7	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	74%	0.735	S	S	*	*			cis	-82.7	-175.3	26	36.6	-41	0	0	0	114.7
114	N	26.2	Very low	41.9	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	70%	0.701	S	S	*	*			cis	-144.5	178.1	13	-158.5	57.4	0	0	0	113.5
115	N	32.9	Very low	43.7	Very low	135 Å²	135	136.6 Å²	136.6	72%	0.722	71%	0.709	S	S	*	*			trans	-81.9	134.2	163.7	-58.1	-57.9	0	0	0	111.5
116	E	35.8	Very low	45.2	Very low	190 Å²	190	130.1 Å²	130.1	89%	0.888	68%	0.682	S	S	*	*				-157.3	163	110.4	-114.7	168.5	-167.7	0	0	109.1
117	K	44	Very low	47.3	Very low	191 Å²	191	125.2 Å²	125.2	83%	0.83	65%	0.653	S	S	*	*			trans	-122.6	49.6	-155.8	-160.1	-170.8	175.8	-176.6	0	113.2	S119	K117-S119 PolarHBondContact O-N 3.27Å
118	D	37.7	Very low	49.3	Very low	151 Å²	151	116.3 Å²	116.3	81%	0.807	64%	0.637	S	S	*	*			trans	-77.7	90.9	172.9	-74.4	-18.2	0	0	0	110.4	E120	D118-E120 VanDerWaalsContact C-N 3.33Å; D118-E120 PolarHBondContact O-N 3.29Å
119	S	42.3	Very low	51.5	Low	101 Å²	101	115.9 Å²	115.9	71%	0.706	63%	0.628	S	S	*	*			trans	-66.3	95.9	156.5	-70.2	0	0	0	0	108.1	K117 E121	K117-S119 PolarHBondContact O-N 3.27Å; S119-E121 VanDerWaalsContact C-N 3.29Å; S119-E121 PolarHBondContact O-N 3.38Å
120	E	57.6	Low	53.8	Low	169 Å²	169	112 Å²	112	79%	0.79	61%	0.61	S	S	*	*			trans	-62.4	89.1	171	-68.9	-169	138	0	0	109.7	D118 L122	D118-E120 VanDerWaalsContact C-N 3.33Å; D118-E120 PolarHBondContact O-N 3.29Å; E120-L122 PolarHBondContact O-N 3.2Å
121	E	59.6	Low	55.8	Low	121 Å²	121	107.2 Å²	107.2	57%	0.565	58%	0.583	S	S	*	*			trans	-59.4	104.1	176.6	-83	-169.9	-138.5	0	0	110.1	S119 S123 T130	S119-E121 VanDerWaalsContact C-N 3.29Å; S119-E121 PolarHBondContact O-N 3.38Å; E121-S123 PolarHBondContact O-N 3.11Å; E121-T130 HydrophobicContact CB-CG2 3.67Å; E121-T130 HydrophobicContact CG-CG2 4.49Å; E121-T130 WeakPolarHBondContact OE2-CB 3.41Å; E121-T130 VanDerWaalsContact OE2-CG2 3.24Å; E121-T130 WeakPolarHBondContact OE2-CG2 3.4Å; E121-T130 PolarHBondContact OE2-OG1 2.81Å
122	L	68.6	Low	57.5	Low	71 Å²	71	109.1 Å²	109.1	37%	0.372	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.7	95.9	-170.9	-67.8	166.7	0	0	0	110	E120 F131 A134 V137	E120-L122 PolarHBondContact O-N 3.2Å; L122-F131 PolarHBondContact N-O 3.35Å; L122-F131 PolarHBondContact O-N 2.99Å; L122-F131 VanDerWaalsContact O-N 3.09Å; L122-A134 HydrophobicContact CD1-CB 3.82Å; L122-V137 HydrophobicContact CB-CG2 3.73Å; L122-V137 VanDerWaalsContact O-CG2 3.22Å; L122-V137 WeakPolarHBondContact O-CG2 3.36Å
123	S	68.9	Low	59.2	Low	65 Å²	65	108.8 Å²	108.8	46%	0.455	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	137.2	-172.7	87.8	0	0	0	0	113.3	E121 E125 Q129	E121-S123 PolarHBondContact O-N 3.11Å; S123-E125 PolarHBondContact O-N 3.12Å; S123-Q129 WeakPolarHBondContact CA-O 3.45Å
124	C	79.9	Confident	60.6	Low	1 Å²	1	106.2 Å²	106.2	1%	0.007	57%	0.569	C	S	.	*			trans	-73.9	106.4	170.1	170.1	0	0	0	0	110.3	V126 C127 G128 Q129 F131 V137 H140 M141	C124-V126 PolarHBondContact O-N 2.88Å; C124-C127 VanDerWaalsContact CB-SG 3.58Å; C124-C127 PolarHBondContact O-N 3.01Å; C124-C127 PolarHBondContact SG-SG 3.36Å; C124-G128 PolarHBondContact O-N 3.48Å; C124-Q129 PolarHBondContact N-O 3.19Å; C124-F131 HydrophobicContact CB-CE2 4.07Å; C124-V137 HydrophobicContact CB-CG1 4.44Å; C124-H140 PolarHBondContact SG-CD2 2.84Å; C124-M141 WeakPolarHBondContact SG-CE 3.34Å
125	E	64.6	Low	63.2	Low	191 Å²	191	106.3 Å²	106.3	89%	0.893	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.3	-31.1	-180	-58.6	-176.5	147.6	0	0	114.5	S123	S123-E125 PolarHBondContact O-N 3.12Å
126	V	60.4	Low	65.3	Low	53 Å²	53	103.9 Å²	103.9	32%	0.321	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-21.9	-174.8	-177.4	0	0	0	0	112.8	C124 M141	C124-V126 PolarHBondContact O-N 2.88Å; V126-M141 HydrophobicContact CB-CE 4.06Å; V126-M141 HydrophobicContact CG2-CE 3.77Å
127	C	72.9	Confident	67.2	Low	32 Å²	32	95.9 Å²	95.9	22%	0.216	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-16	-175.9	76.5	0	0	0	0	115.8	C124 Q129 H140 M212	C124-C127 VanDerWaalsContact CB-SG 3.58Å; C124-C127 PolarHBondContact O-N 3.01Å; C124-C127 PolarHBondContact SG-SG 3.36Å; C127-Q129 VanDerWaalsContact C-N 3.32Å; C127-Q129 VanDerWaalsContact SG-CB 3.58Å; C127-Q129 PolarHBondContact SG-N 2.81Å; C127-H140 PolarHBondContact SG-NE2 3.42Å; C127-M212 WeakPolarHBondContact O-CE 3.37Å
128	G	68.5	Low	68.6	Low	58 Å²	58	91.1 Å²	91.1	60%	0.598	50%	0.495	S	S	*	.			trans	71.9	17.6	-176.1	0	0	0	0	0	115	C124	C124-G128 PolarHBondContact O-N 3.48Å
129	Q	73.3	Confident	70.4	Confident	105 Å²	105	85.3 Å²	85.3	49%	0.491	47%	0.468	S	S	.	.			trans	-79.2	126.1	166.9	-70.2	-177.1	-27.1	0	0	109	S123 C124 C127 F131 H140	S123-Q129 WeakPolarHBondContact CA-O 3.45Å; C124-Q129 PolarHBondContact N-O 3.19Å; C127-Q129 VanDerWaalsContact C-N 3.32Å; C127-Q129 VanDerWaalsContact SG-CB 3.58Å; C127-Q129 PolarHBondContact SG-N 2.81Å; Q129-F131 HydrophobicContact CB-CD2 4.49Å; Q129-F131 HydrophobicContact CB-CE2 3.57Å; Q129-F131 HydrophobicContact CB-CZ 3.73Å; Q129-F131 WeakPolarHBondContact O-CD2 3.44Å; Q129-F131 VanDerWaalsContact O-CE2 3.29Å; Q129-F131 WeakPolarHBondContact O-CE2 3.26Å; Q129-H140 PolarHBondContact OE1-CE1 3.38Å; Q129-H140 PolarHBondContact OE1-ND1 3.44Å
130	T	75.9	Confident	72.1	Confident	69 Å²	69	81.6 Å²	81.6	42%	0.423	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	149.3	168.4	45.7	0	0	0	0	110.6	E121	E121-T130 HydrophobicContact CB-CG2 3.67Å; E121-T130 HydrophobicContact CG-CG2 4.49Å; E121-T130 WeakPolarHBondContact OE2-CB 3.41Å; E121-T130 VanDerWaalsContact OE2-CG2 3.24Å; E121-T130 WeakPolarHBondContact OE2-CG2 3.4Å; E121-T130 PolarHBondContact OE2-OG1 2.81Å
131	F	80.6	Confident	72.4	Confident	39 Å²	39	75.8 Å²	75.8	17%	0.171	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.4	179.2	-61	-90	0	0	0	108.7	L122 C124 Q129 E133 D136 V137 H140	L122-F131 PolarHBondContact N-O 3.35Å; L122-F131 PolarHBondContact O-N 2.99Å; L122-F131 VanDerWaalsContact O-N 3.09Å; C124-F131 HydrophobicContact CB-CE2 4.07Å; Q129-F131 HydrophobicContact CB-CD2 4.49Å; Q129-F131 HydrophobicContact CB-CE2 3.57Å; Q129-F131 HydrophobicContact CB-CZ 3.73Å; Q129-F131 WeakPolarHBondContact O-CD2 3.44Å; Q129-F131 VanDerWaalsContact O-CE2 3.29Å; Q129-F131 WeakPolarHBondContact O-CE2 3.26Å; F131-E133 PolarHBondContact O-N 3.46Å; F131-D136 HydrophobicContact CB-CB 4.19Å; F131-D136 HydrophobicContact CD1-CB 3.79Å; F131-D136 HydrophobicContact CG-CB 4.22Å; F131-V137 HydrophobicContact CB-CG2 3.82Å; F131-V137 HydrophobicContact CD2-CB 4.49Å; F131-V137 HydrophobicContact CD2-CG2 3.86Å; F131-V137 HydrophobicContact CG-CG2 4.13Å; F131-H140 HydrophobicContact CE1-CB 4.35Å; F131-H140 HydrophobicContact CE2-CB 4.1Å; F131-H140 AromaticContact CE2-CG 3.95Å; F131-H140 HydrophobicContact CZ-CB 3.76Å; F131-H140 AromaticContact CZ-CG 3.6Å; F131-H140 AromaticContact CZ-ND1 3.45Å; F131-H140 WeakPolarHBondContact CZ-ND1 3.36Å
132	D	70.8	Confident	72.9	Confident	166 Å²	166	74 Å²	74	89%	0.888	40%	0.403	S	S	*	.	S	Bend	trans	-75.3	-14.4	-177.5	-51.9	-56.9	0	0	0	112.8
133	E	76.4	Confident	72.6	Confident	127 Å²	127	77.4 Å²	77.4	59%	0.593	42%	0.415	S	S	*	.	S	Bend	trans	-142.8	138.9	-176	-165.1	169.7	-120.6	0	0	112.6	F131 F135 D136 V137	F131-E133 PolarHBondContact O-N 3.46Å; E133-F135 HydrophobicContact CG-CB 4.46Å; E133-F135 PolarHBondContact O-N 3.34Å; E133-F135 VanDerWaalsContact O-N 3.14Å; E133-D136 PolarHBondContact O-N 3.35Å; E133-D136 VanDerWaalsContact O-N 3.08Å; E133-V137 PolarHBondContact O-N 3.43Å
134	A	76.6	Confident	72.3	Confident	60 Å²	60	75.1 Å²	75.1	50%	0.496	40%	0.398	S	S	.	.	H	α-helix	trans	-59.3	-28.7	-176.3	0	0	0	0	0	113.7	L122 D136 V137 E138	L122-A134 HydrophobicContact CD1-CB 3.82Å; A134-D136 VanDerWaalsContact C-N 3.35Å; A134-V137 PolarHBondContact O-N 3.41Å; A134-E138 PolarHBondContact O-N 3.24Å
135	F	79.3	Confident	71.3	Confident	138 Å²	138	81.1 Å²	81.1	61%	0.605	42%	0.423	S	S	*	.	H	α-helix	trans	-62.8	-40.5	177.1	-179	-97.6	0	0	0	112	E133 E138 A139	E133-F135 HydrophobicContact CG-CB 4.46Å; E133-F135 PolarHBondContact O-N 3.34Å; E133-F135 VanDerWaalsContact O-N 3.14Å; F135-E138 PolarHBondContact O-N 3.4Å; F135-A139 WeakPolarHBondContact O-CB 3.31Å; F135-A139 PolarHBondContact O-N 3.21Å
136	D	77.2	Confident	70.6	Confident	83 Å²	83	78.7 Å²	78.7	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-72.3	-33.9	178.4	-89.1	-25.3	0	0	0	112.2	F131 E133 A134 E138 A139 H140	F131-D136 HydrophobicContact CB-CB 4.19Å; F131-D136 HydrophobicContact CD1-CB 3.79Å; F131-D136 HydrophobicContact CG-CB 4.22Å; E133-D136 PolarHBondContact O-N 3.35Å; E133-D136 VanDerWaalsContact O-N 3.08Å; A134-D136 VanDerWaalsContact C-N 3.35Å; D136-E138 VanDerWaalsContact C-N 3.31Å; D136-E138 PolarHBondContact O-N 3.13Å; D136-A139 PolarHBondContact O-N 3.36Å; D136-H140 WeakPolarHBondContact O-CB 3.3Å; D136-H140 PolarHBondContact O-N 3.39Å
137	V	76.3	Confident	70.3	Confident	22 Å²	22	78.4 Å²	78.4	13%	0.133	42%	0.417	C	S	.	.	H	α-helix	trans	-59	-44.5	168.1	-170	0	0	0	0	110.3	L122 C124 F131 E133 A134 H140 M141	L122-V137 HydrophobicContact CB-CG2 3.73Å; L122-V137 VanDerWaalsContact O-CG2 3.22Å; L122-V137 WeakPolarHBondContact O-CG2 3.36Å; C124-V137 HydrophobicContact CB-CG1 4.44Å; F131-V137 HydrophobicContact CB-CG2 3.82Å; F131-V137 HydrophobicContact CD2-CB 4.49Å; F131-V137 HydrophobicContact CD2-CG2 3.86Å; F131-V137 HydrophobicContact CG-CG2 4.13Å; E133-V137 PolarHBondContact O-N 3.43Å; A134-V137 PolarHBondContact O-N 3.41Å; V137-H140 CarbonylContact O-C 3.59Å; V137-H140 PolarHBondContact O-N 2.88Å; V137-M141 HydrophobicContact CG1-CG 4.39Å; V137-M141 WeakPolarHBondContact O-CB 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.38Å; V137-M141 PolarHBondContact O-N 3.35Å
138	E	72.9	Confident	69.5	Low	92 Å²	92	79.6 Å²	79.6	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-72.5	-36.1	-179.4	-144.7	-144.5	152.1	0	0	112.8	A134 F135 D136 H140 M141 K142	A134-E138 PolarHBondContact O-N 3.24Å; F135-E138 PolarHBondContact O-N 3.4Å; D136-E138 VanDerWaalsContact C-N 3.31Å; D136-E138 PolarHBondContact O-N 3.13Å; E138-H140 VanDerWaalsContact C-N 3.31Å; E138-M141 PolarHBondContact O-N 2.92Å; E138-K142 VanDerWaalsContact CD-CE 3.46Å; E138-K142 WeakPolarHBondContact O-CD 3.44Å; E138-K142 WeakPolarHBondContact O-CG 3.38Å; E138-K142 PolarHBondContact O-N 2.87Å; E138-K142 WeakPolarHBondContact OE1-CE 3.24Å; E138-K142 IonicContact OE1-NZ 2.59Å; E138-K142 PolarHBondContact OE1-NZ 3.14Å; E138-K142 IonicContact OE2-NZ 3.81Å; E138-K142 PolarHBondContact OE2-NZ 3.2Å
139	A	75.8	Confident	69.1	Low	29 Å²	29	81.6 Å²	81.6	24%	0.24	42%	0.419	C	S	.	.	H	α-helix	trans	-63.5	-37.6	171.5	0	0	0	0	0	111.5	F135 D136 K142 K143	F135-A139 WeakPolarHBondContact O-CB 3.31Å; F135-A139 PolarHBondContact O-N 3.21Å; D136-A139 PolarHBondContact O-N 3.36Å; A139-K142 PolarHBondContact O-N 3.4Å; A139-K143 PolarHBondContact O-N 3.2Å
140	H	77.6	Confident	68.7	Low	23 Å²	23	81.3 Å²	81.3	11%	0.106	41%	0.414	C	S	.	.	H	α-helix	trans	-68.5	-40.8	171.1	-177.9	97.7	0	0	0	111.9	C124 C127 Q129 F131 D136 V137 E138 K142 K143 H144	C124-H140 PolarHBondContact SG-CD2 2.84Å; C127-H140 PolarHBondContact SG-NE2 3.42Å; Q129-H140 PolarHBondContact OE1-CE1 3.38Å; Q129-H140 PolarHBondContact OE1-ND1 3.44Å; F131-H140 HydrophobicContact CE1-CB 4.35Å; F131-H140 HydrophobicContact CE2-CB 4.1Å; F131-H140 AromaticContact CE2-CG 3.95Å; F131-H140 HydrophobicContact CZ-CB 3.76Å; F131-H140 AromaticContact CZ-CG 3.6Å; F131-H140 AromaticContact CZ-ND1 3.45Å; F131-H140 WeakPolarHBondContact CZ-ND1 3.36Å; D136-H140 WeakPolarHBondContact O-CB 3.3Å; D136-H140 PolarHBondContact O-N 3.39Å; V137-H140 CarbonylContact O-C 3.59Å; V137-H140 PolarHBondContact O-N 2.88Å; E138-H140 VanDerWaalsContact C-N 3.31Å; H140-K142 VanDerWaalsContact C-N 3.28Å; H140-K142 PolarHBondContact O-N 3.06Å; H140-K143 WeakPolarHBondContact O-CA 3.42Å; H140-K143 WeakPolarHBondContact O-CB 3.37Å; H140-K143 PolarHBondContact O-N 3.31Å; H140-H144 AromaticContact CD2-CD2 3.46Å; H140-H144 PolarHBondContact CD2-CD2 2.96Å; H140-H144 VanDerWaalsContact CD2-CD2 3.46Å; H140-H144 AromaticContact CD2-NE2 3.45Å; H140-H144 PolarHBondContact CD2-NE2 3.08Å; H140-H144 AromaticContact CE1-NE2 3.89Å; H140-H144 AromaticContact NE2-CD2 3.38Å; H140-H144 PolarHBondContact NE2-CD2 3.18Å; H140-H144 AromaticContact NE2-NE2 2.84Å; H140-H144 PolarHBondContact NE2-NE2 3.39Å; H140-H144 PolarHBondContact O-CD2 3.45Å; H140-H144 PolarHBondContact O-N 3.15Å
141	M	64.6	Low	68	Low	46 Å²	46	85 Å²	85	23%	0.227	42%	0.421	C	S	.	.	H	α-helix	trans	-62.9	-33.2	174.3	-73.9	-87.7	77.2	0	0	112.5	C124 V126 V137 E138 H144 K145	C124-M141 WeakPolarHBondContact SG-CE 3.34Å; V126-M141 HydrophobicContact CB-CE 4.06Å; V126-M141 HydrophobicContact CG2-CE 3.77Å; V137-M141 HydrophobicContact CG1-CG 4.39Å; V137-M141 WeakPolarHBondContact O-CB 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.38Å; V137-M141 PolarHBondContact O-N 3.35Å; E138-M141 PolarHBondContact O-N 2.92Å; M141-H144 HydrophobicContact CE-CB 4.06Å; M141-H144 VanDerWaalsContact CE-CD2 3.48Å; M141-H144 WeakPolarHBondContact CE-CD2 3.45Å; M141-H144 WeakPolarHBondContact O-CB 3.33Å; M141-H144 PolarHBondContact O-N 3.45Å; M141-H144 VanDerWaalsContact O-N 3.09Å; M141-K145 PolarHBondContact O-N 2.91Å; M141-K145 VanDerWaalsContact O-N 3.14Å
142	K	70.2	Confident	68.1	Low	83 Å²	83	83.1 Å²	83.1	36%	0.361	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-41.3	171	-72.3	156.7	-171.5	157	0	110.9	E138 A139 H140 H144 K145 D146	E138-K142 VanDerWaalsContact CD-CE 3.46Å; E138-K142 WeakPolarHBondContact O-CD 3.44Å; E138-K142 WeakPolarHBondContact O-CG 3.38Å; E138-K142 PolarHBondContact O-N 2.87Å; E138-K142 WeakPolarHBondContact OE1-CE 3.24Å; E138-K142 IonicContact OE1-NZ 2.59Å; E138-K142 PolarHBondContact OE1-NZ 3.14Å; E138-K142 IonicContact OE2-NZ 3.81Å; E138-K142 PolarHBondContact OE2-NZ 3.2Å; A139-K142 PolarHBondContact O-N 3.4Å; H140-K142 VanDerWaalsContact C-N 3.28Å; H140-K142 PolarHBondContact O-N 3.06Å; K142-H144 PolarHBondContact O-N 3.34Å; K142-H144 VanDerWaalsContact O-N 3.16Å; K142-K145 WeakPolarHBondContact O-CB 3.3Å; K142-K145 PolarHBondContact O-N 2.87Å; K142-D146 PolarHBondContact O-N 3.37Å
143	K	62.8	Low	67.9	Low	143 Å²	143	81.3 Å²	81.3	62%	0.622	40%	0.403	S	S	*	.	H	α-helix	trans	-59.4	-26.5	171.1	-60.7	168.7	-173.5	165.9	0	113.4	A139 H140 S147	A139-K143 PolarHBondContact O-N 3.2Å; H140-K143 WeakPolarHBondContact O-CA 3.42Å; H140-K143 WeakPolarHBondContact O-CB 3.37Å; H140-K143 PolarHBondContact O-N 3.31Å; K143-S147 WeakPolarHBondContact O-CB 3.49Å; K143-S147 PolarHBondContact O-OG 3.33Å
144	H	62.5	Low	67.4	Low	18 Å²	18	79.8 Å²	79.8	8%	0.083	40%	0.402	C	S	.	.	H	α-helix	trans	-82.3	-17.8	171.2	-75.8	-80.2	0	0	0	115	H140 M141 K142 F148 R158	H140-H144 AromaticContact CD2-CD2 3.46Å; H140-H144 PolarHBondContact CD2-CD2 2.96Å; H140-H144 VanDerWaalsContact CD2-CD2 3.46Å; H140-H144 AromaticContact CD2-NE2 3.45Å; H140-H144 PolarHBondContact CD2-NE2 3.08Å; H140-H144 AromaticContact CE1-NE2 3.89Å; H140-H144 AromaticContact NE2-CD2 3.38Å; H140-H144 PolarHBondContact NE2-CD2 3.18Å; H140-H144 AromaticContact NE2-NE2 2.84Å; H140-H144 PolarHBondContact NE2-NE2 3.39Å; H140-H144 PolarHBondContact O-CD2 3.45Å; H140-H144 PolarHBondContact O-N 3.15Å; M141-H144 HydrophobicContact CE-CB 4.06Å; M141-H144 VanDerWaalsContact CE-CD2 3.48Å; M141-H144 WeakPolarHBondContact CE-CD2 3.45Å; M141-H144 WeakPolarHBondContact O-CB 3.33Å; M141-H144 PolarHBondContact O-N 3.45Å; M141-H144 VanDerWaalsContact O-N 3.09Å; K142-H144 PolarHBondContact O-N 3.34Å; K142-H144 VanDerWaalsContact O-N 3.16Å; H144-F148 AromaticContact ND1-CE2 3.73Å; H144-R158 PolarHBondContact O-NH1 2.94Å; H144-R158 VanDerWaalsContact O-NH1 3.09Å
145	K	57.7	Low	67.4	Low	127 Å²	127	79.5 Å²	79.5	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-75	-39.8	173.1	-68.5	174.7	-178.7	175.5	0	110.1	M141 K142	M141-K145 PolarHBondContact O-N 2.91Å; M141-K145 VanDerWaalsContact O-N 3.14Å; K142-K145 WeakPolarHBondContact O-CB 3.3Å; K142-K145 PolarHBondContact O-N 2.87Å
146	D	50.8	Low	66.8	Low	140 Å²	140	75 Å²	75	75%	0.749	39%	0.388	S	S	*	.	H	α-helix	trans	-89.8	-13.1	-172.4	-54.6	-31.6	0	0	0	114.9	K142	K142-D146 PolarHBondContact O-N 3.37Å
147	S	54.7	Low	66.3	Low	47 Å²	47	76.4 Å²	76.4	33%	0.329	39%	0.387	S	S	.	.	S	Bend	trans	-105.4	-13.2	-172.2	58	0	0	0	0	116	K143	K143-S147 WeakPolarHBondContact O-CB 3.49Å; K143-S147 PolarHBondContact O-OG 3.33Å
148	F	54.7	Low	66.3	Low	56 Å²	56	80.2 Å²	80.2	25%	0.246	40%	0.399	C	S	.	.			trans	-137.5	84.9	-176.4	-57.3	-83.4	0	0	0	112.6	H144 Y150 R158 K160	H144-F148 AromaticContact ND1-CE2 3.73Å; F148-Y150 PolarHBondContact O-N 3.42Å; F148-R158 HydrophobicContact CB-CB 3.44Å; F148-R158 VanDerWaalsContact CB-CB 3.44Å; F148-R158 HydrophobicContact CD1-CB 4.34Å; F148-R158 HydrophobicContact CD2-CB 4.36Å; F148-R158 HydrophobicContact CG-CB 3.85Å; F148-K160 HydrophobicContact CD1-CB 4.27Å
149	T	60.5	Low	66.5	Low	101 Å²	101	77.2 Å²	77.2	62%	0.62	39%	0.385	S	S	*	.			trans	-72.4	-6.6	-177	39.5	0	0	0	0	115.4
150	Y	65.6	Low	66	Low	98 Å²	98	82.6 Å²	82.6	38%	0.384	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120	-177.5	-59.2	-80.6	0	0	0	110.5	F148 R158 F159 P162	F148-Y150 PolarHBondContact O-N 3.42Å; Y150-R158 CarbonylContact O-C 3.59Å; Y150-F159 PolarHBondContact N-O 2.91Å; Y150-F159 WeakPolarHBondContact O-CA 3.48Å; Y150-F159 WeakPolarHBondContact O-CB 3.48Å; Y150-F159 PolarHBondContact O-N 3.28Å; Y150-P162 HydrophobicContact CD1-CB 3.76Å; Y150-P162 HydrophobicContact CD2-CB 4.23Å; Y150-P162 HydrophobicContact CE1-CB 3.67Å; Y150-P162 HydrophobicContact CE1-CG 4.18Å; Y150-P162 HydrophobicContact CE2-CB 4.16Å; Y150-P162 VanDerWaalsContact CE2-CD 3.47Å; Y150-P162 HydrophobicContact CE2-CG 4.1Å; Y150-P162 HydrophobicContact CG-CB 4.04Å
151	W	60.4	Low	65.6	Low	147 Å²	147	85.8 Å²	85.8	56%	0.557	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.5	-177.5	70.1	-75.7	0	0	0	113	R157 R158 L165	W151-R157 CarbonylContact C-O 3.58Å; W151-R157 WeakPolarHBondContact CA-O 3.22Å; W151-R158 HydrophobicContact CB-CG 4.14Å; W151-L165 WeakPolarHBondContact O-CD1 3.35Å; W151-L165 VanDerWaalsContact O-CD2 3.29Å; W151-L165 WeakPolarHBondContact O-CD2 3.39Å
152	C	82.8	Confident	65.5	Low	0 Å²	0	86.7 Å²	86.7	0%	0	43%	0.427	C	S	.	.			trans	-94.4	106.5	-176.8	175.7	0	0	0	0	110.8	V154 C155 G156 R157 F159 L165 H168 M169 H172	C152-V154 PolarHBondContact O-N 3.04Å; C152-C155 PolarHBondContact O-N 2.95Å; C152-C155 PolarHBondContact SG-N 3.39Å; C152-G156 WeakPolarHBondContact O-CA 3.36Å; C152-G156 PolarHBondContact O-N 3.29Å; C152-R157 HydrophobicContact CB-CB 4.2Å; C152-R157 WeakPolarHBondContact CB-O 3.24Å; C152-R157 PolarHBondContact N-O 2.82Å; C152-F159 HydrophobicContact CB-CE2 4.2Å; C152-L165 HydrophobicContact CB-CD1 4.11Å; C152-H168 PolarHBondContact SG-NE2 2.92Å; C152-M169 HydrophobicContact CB-CE 3.99Å; C152-M169 WeakPolarHBondContact SG-CE 3.38Å; C152-H172 PolarHBondContact SG-NE2 3.42Å
153	N	65.9	Low	65.3	Low	128 Å²	128	89.3 Å²	89.3	68%	0.684	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.2	177.6	-57.5	26.6	0	0	0	113.7
154	V	67.6	Low	66	Low	94 Å²	94	85.5 Å²	85.5	57%	0.57	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-25.2	-177.7	-171.3	0	0	0	0	112.8	C152 M169 H172	C152-V154 PolarHBondContact O-N 3.04Å; V154-M169 HydrophobicContact CG2-CE 4.42Å; V154-H172 HydrophobicContact CG1-CB 4.36Å; V154-H172 WeakPolarHBondContact CG1-ND1 3.49Å
155	C	76.5	Confident	66.8	Low	54 Å²	54	86 Å²	86	37%	0.365	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.9	27.7	-178	79.7	0	0	0	0	115	C152 R157 H168	C152-C155 PolarHBondContact O-N 2.95Å; C152-C155 PolarHBondContact SG-N 3.39Å; C155-R157 PolarHBondContact O-N 3.25Å; C155-H168 PolarHBondContact SG-NE2 3.46Å
156	G	64.8	Low	67.6	Low	43 Å²	43	87.6 Å²	87.6	44%	0.443	43%	0.428	S	S	.	.			trans	69.1	-22.3	172.2	0	0	0	0	0	117.4	C152 R158	C152-G156 WeakPolarHBondContact O-CA 3.36Å; C152-G156 PolarHBondContact O-N 3.29Å; G156-R158 WeakPolarHBondContact O-CG 3.26Å; G156-R158 PolarHBondContact O-N 3.25Å
157	R	68.8	Low	68.7	Low	113 Å²	113	84.5 Å²	84.5	43%	0.426	41%	0.412	S	S	.	.			trans	-53.1	129.5	-173.8	-70.5	179.9	-174.1	164.8	5.7	112.2	W151 C152 C155 F159	W151-R157 CarbonylContact C-O 3.58Å; W151-R157 WeakPolarHBondContact CA-O 3.22Å; C152-R157 HydrophobicContact CB-CB 4.2Å; C152-R157 WeakPolarHBondContact CB-O 3.24Å; C152-R157 PolarHBondContact N-O 2.82Å; C155-R157 PolarHBondContact O-N 3.25Å; R157-F159 HydrophobicContact CB-CE2 3.78Å; R157-F159 HydrophobicContact CB-CZ 3.88Å; R157-F159 WeakPolarHBondContact O-CD2 3.4Å; R157-F159 WeakPolarHBondContact O-CE2 3.44Å
158	R	75	Confident	69.9	Low	102 Å²	102	82.9 Å²	82.9	39%	0.385	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.3	-178.6	-46.2	-171.6	177.1	-167.2	-0.7	111.4	H144 F148 Y150 W151 G156	H144-R158 PolarHBondContact O-NH1 2.94Å; H144-R158 VanDerWaalsContact O-NH1 3.09Å; F148-R158 HydrophobicContact CB-CB 3.44Å; F148-R158 VanDerWaalsContact CB-CB 3.44Å; F148-R158 HydrophobicContact CD1-CB 4.34Å; F148-R158 HydrophobicContact CD2-CB 4.36Å; F148-R158 HydrophobicContact CG-CB 3.85Å; Y150-R158 CarbonylContact O-C 3.59Å; W151-R158 HydrophobicContact CB-CG 4.14Å; G156-R158 WeakPolarHBondContact O-CG 3.26Å; G156-R158 PolarHBondContact O-N 3.25Å
159	F	77.9	Confident	70.8	Confident	30 Å²	30	82.8 Å²	82.8	13%	0.132	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.5	-171.1	-61.6	-81.1	0	0	0	110.7	Y150 C152 R157 E161 F164 L165 H168	Y150-F159 PolarHBondContact N-O 2.91Å; Y150-F159 WeakPolarHBondContact O-CA 3.48Å; Y150-F159 WeakPolarHBondContact O-CB 3.48Å; Y150-F159 PolarHBondContact O-N 3.28Å; C152-F159 HydrophobicContact CB-CE2 4.2Å; R157-F159 HydrophobicContact CB-CE2 3.78Å; R157-F159 HydrophobicContact CB-CZ 3.88Å; R157-F159 WeakPolarHBondContact O-CD2 3.4Å; R157-F159 WeakPolarHBondContact O-CE2 3.44Å; F159-E161 VanDerWaalsContact C-N 3.35Å; F159-F164 HydrophobicContact CB-CB 4.07Å; F159-F164 HydrophobicContact CD1-CB 3.6Å; F159-F164 HydrophobicContact CE1-CB 4.43Å; F159-F164 HydrophobicContact CG-CB 4.09Å; F159-L165 HydrophobicContact CB-CB 4.26Å; F159-L165 HydrophobicContact CD2-CB 3.94Å; F159-L165 HydrophobicContact CD2-CD1 3.91Å; F159-L165 HydrophobicContact CE2-CD1 4.1Å; F159-L165 HydrophobicContact CG-CB 4.23Å; F159-H168 HydrophobicContact CE1-CB 4.22Å; F159-H168 HydrophobicContact CE2-CB 4.15Å; F159-H168 AromaticContact CE2-CD2 3.35Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.18Å; F159-H168 AromaticContact CE2-CG 3.98Å; F159-H168 HydrophobicContact CZ-CB 3.67Å; F159-H168 AromaticContact CZ-CD2 3.3Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.22Å; F159-H168 AromaticContact CZ-CG 3.53Å
160	K	64.6	Low	71.7	Confident	142 Å²	142	85 Å²	85	62%	0.617	40%	0.397	S	S	*	.	S	Bend	trans	-76.8	-22.8	-175.6	-172.9	168	-178.1	172.9	0	113.1	F148	F148-K160 HydrophobicContact CD1-CB 4.27Å
161	E	68.4	Low	72	Confident	89 Å²	89	84.9 Å²	84.9	42%	0.416	41%	0.406	S	S	.	.	S	Bend	trans	-139.3	146.2	-178	-53	173.8	-161.7	0	0	110.3	F159 W163 F164	F159-E161 VanDerWaalsContact C-N 3.35Å; E161-W163 PolarHBondContact O-N 3.45Å; E161-W163 VanDerWaalsContact OE2-CD1 3.24Å; E161-W163 PolarHBondContact OE2-NE1 3.23Å; E161-F164 HydrophobicContact CB-CD2 3.89Å; E161-F164 HydrophobicContact CB-CE2 4.3Å; E161-F164 HydrophobicContact CG-CD2 4.38Å; E161-F164 HydrophobicContact CG-CE2 4.34Å; E161-F164 PolarHBondContact O-N 3.44Å
162	P	63.9	Low	72.5	Confident	65 Å²	65	81.2 Å²	81.2	42%	0.422	40%	0.395	S	S	.	.	H	α-helix	trans	-69.7	-19.2	-170	25.3	-31.1	0	0	0	113.3	Y150 K166	Y150-P162 HydrophobicContact CD1-CB 3.76Å; Y150-P162 HydrophobicContact CD2-CB 4.23Å; Y150-P162 HydrophobicContact CE1-CB 3.67Å; Y150-P162 HydrophobicContact CE1-CG 4.18Å; Y150-P162 HydrophobicContact CE2-CB 4.16Å; Y150-P162 VanDerWaalsContact CE2-CD 3.47Å; Y150-P162 HydrophobicContact CE2-CG 4.1Å; Y150-P162 HydrophobicContact CG-CB 4.04Å; P162-K166 VanDerWaalsContact O-CB 3.31Å; P162-K166 WeakPolarHBondContact O-CB 3.47Å; P162-K166 PolarHBondContact O-N 3.43Å
163	W	65.4	Low	71.5	Confident	139 Å²	139	86.6 Å²	86.6	53%	0.527	43%	0.428	S	S	.	.	H	α-helix	trans	-74.2	-32.3	177.2	78.4	-93.6	0	0	0	112.3	E161 K166 N167	E161-W163 PolarHBondContact O-N 3.45Å; E161-W163 VanDerWaalsContact OE2-CD1 3.24Å; E161-W163 PolarHBondContact OE2-NE1 3.23Å; W163-K166 PolarHBondContact O-N 3.05Å; W163-N167 VanDerWaalsContact O-CB 3.3Å; W163-N167 WeakPolarHBondContact O-CB 3.22Å; W163-N167 PolarHBondContact O-N 3.16Å
164	F	76.5	Confident	70.7	Confident	63 Å²	63	82.7 Å²	82.7	28%	0.276	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-47.6	171.7	-71.7	-74.1	0	0	0	110	F159 E161 K166 N167 H168	F159-F164 HydrophobicContact CB-CB 4.07Å; F159-F164 HydrophobicContact CD1-CB 3.6Å; F159-F164 HydrophobicContact CE1-CB 4.43Å; F159-F164 HydrophobicContact CG-CB 4.09Å; E161-F164 HydrophobicContact CB-CD2 3.89Å; E161-F164 HydrophobicContact CB-CE2 4.3Å; E161-F164 HydrophobicContact CG-CD2 4.38Å; E161-F164 HydrophobicContact CG-CE2 4.34Å; E161-F164 PolarHBondContact O-N 3.44Å; F164-K166 PolarHBondContact O-N 3.17Å; F164-N167 PolarHBondContact O-N 3.38Å; F164-H168 WeakPolarHBondContact O-CB 3.17Å; F164-H168 PolarHBondContact O-N 2.85Å
165	L	81	Confident	69.4	Low	29 Å²	29	87 Å²	87	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-56.7	-49.7	172.8	175.4	60.5	0	0	0	110.8	W151 C152 F159 N167 H168 M169	W151-L165 WeakPolarHBondContact O-CD1 3.35Å; W151-L165 VanDerWaalsContact O-CD2 3.29Å; W151-L165 WeakPolarHBondContact O-CD2 3.39Å; C152-L165 HydrophobicContact CB-CD1 4.11Å; F159-L165 HydrophobicContact CB-CB 4.26Å; F159-L165 HydrophobicContact CD2-CB 3.94Å; F159-L165 HydrophobicContact CD2-CD1 3.91Å; F159-L165 HydrophobicContact CE2-CD1 4.1Å; F159-L165 HydrophobicContact CG-CB 4.23Å; L165-N167 VanDerWaalsContact C-N 3.25Å; L165-N167 PolarHBondContact O-N 2.99Å; L165-H168 CarbonylContact O-C 3.53Å; L165-H168 PolarHBondContact O-N 2.93Å; L165-H168 VanDerWaalsContact O-N 3.07Å; L165-M169 HydrophobicContact CD1-CE 3.83Å; L165-M169 HydrophobicContact CD1-CG 4.08Å; L165-M169 HydrophobicContact CD1-SD 4.45Å; L165-M169 HydrophobicContact CG-CG 4.27Å; L165-M169 WeakPolarHBondContact O-CG 3.5Å; L165-M169 PolarHBondContact O-N 2.66Å
166	K	74.8	Confident	68	Low	160 Å²	160	91.1 Å²	91.1	70%	0.696	46%	0.455	S	S	*	.	H	α-helix	trans	-62.5	-29.9	179.1	-170.4	169.2	-175.5	171.2	0	113.3	P162 W163 F164	P162-K166 VanDerWaalsContact O-CB 3.31Å; P162-K166 WeakPolarHBondContact O-CB 3.47Å; P162-K166 PolarHBondContact O-N 3.43Å; W163-K166 PolarHBondContact O-N 3.05Å; F164-K166 PolarHBondContact O-N 3.17Å
167	N	72.1	Confident	66.8	Low	74 Å²	74	92.4 Å²	92.4	40%	0.396	47%	0.468	S	S	.	.	H	α-helix	trans	-75.4	-36.4	173.8	-163.4	65.8	0	0	0	111.8	W163 F164 L165 R170	W163-N167 VanDerWaalsContact O-CB 3.3Å; W163-N167 WeakPolarHBondContact O-CB 3.22Å; W163-N167 PolarHBondContact O-N 3.16Å; F164-N167 PolarHBondContact O-N 3.38Å; L165-N167 VanDerWaalsContact C-N 3.25Å; L165-N167 PolarHBondContact O-N 2.99Å; N167-R170 WeakPolarHBondContact O-CB 3.48Å; N167-R170 PolarHBondContact O-N 3.19Å; N167-R170 PolarHBondContact OD1-NH1 3.05Å
168	H	80.2	Confident	65.1	Low	14 Å²	14	92.9 Å²	92.9	7%	0.065	49%	0.489	C	S	.	.	H	α-helix	trans	-73.1	-33.7	174	176.5	48	0	0	0	113.3	C152 C155 F159 F164 L165 R170 T171 H172	C152-H168 PolarHBondContact SG-NE2 2.92Å; C155-H168 PolarHBondContact SG-NE2 3.46Å; F159-H168 HydrophobicContact CE1-CB 4.22Å; F159-H168 HydrophobicContact CE2-CB 4.15Å; F159-H168 AromaticContact CE2-CD2 3.35Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.18Å; F159-H168 AromaticContact CE2-CG 3.98Å; F159-H168 HydrophobicContact CZ-CB 3.67Å; F159-H168 AromaticContact CZ-CD2 3.3Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.22Å; F159-H168 AromaticContact CZ-CG 3.53Å; F164-H168 WeakPolarHBondContact O-CB 3.17Å; F164-H168 PolarHBondContact O-N 2.85Å; L165-H168 CarbonylContact O-C 3.53Å; L165-H168 PolarHBondContact O-N 2.93Å; L165-H168 VanDerWaalsContact O-N 3.07Å; H168-R170 PolarHBondContact O-N 3.39Å; H168-R170 VanDerWaalsContact O-N 3.15Å; H168-T171 PolarHBondContact ND1-OG1 3.37Å; H168-T171 PolarHBondContact O-N 3.41Å; H168-T171 PolarHBondContact O-OG1 2.89Å; H168-H172 AromaticContact CD2-NE2 3.89Å; H168-H172 AromaticContact CE1-CD2 3.87Å; H168-H172 AromaticContact CE1-CE1 3.87Å; H168-H172 AromaticContact CE1-NE2 3.09Å; H168-H172 PolarHBondContact CE1-NE2 3.37Å; H168-H172 AromaticContact ND1-NE2 3.9Å; H168-H172 AromaticContact NE2-CD2 3.89Å; H168-H172 AromaticContact NE2-NE2 3.08Å; H168-H172 PolarHBondContact NE2-NE2 3.48Å; H168-H172 PolarHBondContact O-CD2 3.33Å
169	M	74.4	Confident	63.2	Low	54 Å²	54	99.6 Å²	99.6	27%	0.266	52%	0.515	S	S	.	.	H	α-helix	trans	-57.6	-27.5	168.7	-71.1	-66.3	98.1	0	0	111.8	C152 V154 L165 T171 H172 T173	C152-M169 HydrophobicContact CB-CE 3.99Å; C152-M169 WeakPolarHBondContact SG-CE 3.38Å; V154-M169 HydrophobicContact CG2-CE 4.42Å; L165-M169 HydrophobicContact CD1-CE 3.83Å; L165-M169 HydrophobicContact CD1-CG 4.08Å; L165-M169 HydrophobicContact CD1-SD 4.45Å; L165-M169 HydrophobicContact CG-CG 4.27Å; L165-M169 WeakPolarHBondContact O-CG 3.5Å; L165-M169 PolarHBondContact O-N 2.66Å; M169-T171 VanDerWaalsContact C-N 3.32Å; M169-T171 PolarHBondContact O-N 2.83Å; M169-H172 PolarHBondContact O-N 2.93Å; M169-T173 PolarHBondContact O-N 3.44Å; M169-T173 PolarHBondContact O-OG1 2.93Å
170	R	79.6	Confident	61	Low	147 Å²	147	105.5 Å²	105.5	56%	0.555	55%	0.547	S	S	*	.	H	α-helix	trans	-74.2	-14.6	172.1	-146.6	-174.4	-55.8	104.3	6.9	114.4	N167 H168 T173 G174	N167-R170 WeakPolarHBondContact O-CB 3.48Å; N167-R170 PolarHBondContact O-N 3.19Å; N167-R170 PolarHBondContact OD1-NH1 3.05Å; H168-R170 PolarHBondContact O-N 3.39Å; H168-R170 VanDerWaalsContact O-N 3.15Å; R170-T173 WeakPolarHBondContact CA-OG1 3.42Å; R170-G174 PolarHBondContact O-N 2.99Å
171	T	70.4	Confident	59.5	Low	95 Å²	95	108.3 Å²	108.3	58%	0.583	56%	0.56	S	S	*	*	H	α-helix	trans	-83.3	-18.7	170.3	66	0	0	0	0	112.5	H168 M169	H168-T171 PolarHBondContact ND1-OG1 3.37Å; H168-T171 PolarHBondContact O-N 3.41Å; H168-T171 PolarHBondContact O-OG1 2.89Å; M169-T171 VanDerWaalsContact C-N 3.32Å; M169-T171 PolarHBondContact O-N 2.83Å
172	H	71.8	Confident	57.6	Low	71 Å²	71	110.5 Å²	110.5	33%	0.329	57%	0.574	S	S	.	*	H	α-helix	trans	-91	-37.9	172.5	-61.3	-67.3	0	0	0	112.3	C152 V154 H168 M169 G174	C152-H172 PolarHBondContact SG-NE2 3.42Å; V154-H172 HydrophobicContact CG1-CB 4.36Å; V154-H172 WeakPolarHBondContact CG1-ND1 3.49Å; H168-H172 AromaticContact CD2-NE2 3.89Å; H168-H172 AromaticContact CE1-CD2 3.87Å; H168-H172 AromaticContact CE1-CE1 3.87Å; H168-H172 AromaticContact CE1-NE2 3.09Å; H168-H172 PolarHBondContact CE1-NE2 3.37Å; H168-H172 AromaticContact ND1-NE2 3.9Å; H168-H172 AromaticContact NE2-CD2 3.89Å; H168-H172 AromaticContact NE2-NE2 3.08Å; H168-H172 PolarHBondContact NE2-NE2 3.48Å; H168-H172 PolarHBondContact O-CD2 3.33Å; M169-H172 PolarHBondContact O-N 2.93Å; H172-G174 VanDerWaalsContact C-N 3.32Å; H172-G174 PolarHBondContact O-N 2.97Å
173	T	61.6	Low	55.9	Low	113 Å²	113	116.3 Å²	116.3	69%	0.693	60%	0.595	S	S	*	*	S	Bend	trans	-85.6	3.1	178.9	50.7	0	0	0	0	114.4	M169 R170 K175	M169-T173 PolarHBondContact O-N 3.44Å; M169-T173 PolarHBondContact O-OG1 2.93Å; R170-T173 WeakPolarHBondContact CA-OG1 3.42Å; T173-K175 PolarHBondContact O-N 3.21Å
174	G	49.9	Very low	54.4	Low	45 Å²	45	118.3 Å²	118.3	46%	0.464	61%	0.61	S	S	.	*			trans	-92	91.1	179.7	0	0	0	0	0	112.9	R170 H172	R170-G174 PolarHBondContact O-N 2.99Å; H172-G174 VanDerWaalsContact C-N 3.32Å; H172-G174 PolarHBondContact O-N 2.97Å
175	K	40.8	Very low	52	Low	184 Å²	184	118.8 Å²	118.8	80%	0.8	63%	0.632	S	S	*	*			trans	-56.9	131.2	171.5	-68.4	-163.8	176.6	-164.7	0	110.4	T173 G177	T173-K175 PolarHBondContact O-N 3.21Å; K175-G177 VanDerWaalsContact C-N 3.35Å; K175-G177 PolarHBondContact O-N 3.17Å
176	P	47	Very low	49.8	Very low	142 Å²	142	123.1 Å²	123.1	92%	0.922	67%	0.665	S	S	*	*	S	Bend	trans	-81.4	72.3	-174.5	33.5	-36.6	0	0	0	112.2
177	G	38.8	Very low	47.5	Very low	69 Å²	69	124.7 Å²	124.7	71%	0.711	68%	0.675	S	S	*	*			trans	-169.4	83.6	-177.4	0	0	0	0	0	116.2	K175	K175-G177 VanDerWaalsContact C-N 3.35Å; K175-G177 PolarHBondContact O-N 3.17Å
178	S	32.1	Very low	45.5	Very low	124 Å²	124	125.9 Å²	125.9	87%	0.867	69%	0.689	S	S	*	*			trans	-153.5	38.5	165.5	59.2	0	0	0	0	115
179	R	36.1	Very low	43.3	Very low	243 Å²	243	131.3 Å²	131.3	92%	0.917	73%	0.726	S	S	*	*			trans	-84.1	118	143.3	-79.5	-176.8	174.9	173.4	-1.1	106.8
180	N	30.7	Very low	41.1	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	75%	0.75	S	S	*	*			trans	-162.2	124.3	154.1	-120.2	-27.5	0	0	0	115.2
181	K	33.4	Very low	39.1	Very low	201 Å²	201	135.3 Å²	135.3	87%	0.874	76%	0.763	S	S	*	*			trans	167.9	128.1	145.4	-97.8	-170	178.4	-171.8	0	107.1
182	L	30.1	Very low	37.3	Very low	135 Å²	135	137.3 Å²	137.3	71%	0.707	77%	0.768	S	S	*	*			cis	-160.1	130.8	-16.1	179.1	71.4	0	0	0	106.5
183	Q	27.6	Very low	35.4	Very low	186 Å²	186	140.9 Å²	140.9	87%	0.869	79%	0.79	S	S	*	*			trans	-146.7	123.2	157.8	-161.7	76.6	49	0	0	107.3
184	Q	33.4	Very low	34.5	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	80%	0.803	S	S	*	*			trans	-102.7	119	176.6	-170.3	169.8	-2.6	0	0	106.9
185	G	25.9	Very low	33.7	Very low	72 Å²	72	148.7 Å²	148.7	74%	0.742	81%	0.814	S	S	*	*			trans	-146.5	132.9	-179.4	0	0	0	0	0	108.2
186	S	34.6	Very low	33.5	Very low	121 Å²	121	146.4 Å²	146.4	85%	0.846	82%	0.815	S	S	*	*			trans	-85.8	127.9	-169.8	51.6	0	0	0	0	112.2
187	E	27.8	Very low	32.7	Very low	193 Å²	193	147.6 Å²	147.6	90%	0.902	81%	0.808	S	S	*	*			trans	-151.1	134.9	144.8	-124.8	162.5	-159.6	0	0	109.8
188	S	28.3	Very low	32.5	Very low	99 Å²	99	152 Å²	152	69%	0.692	81%	0.811	S	S	*	*			trans	-104.4	139.3	172	-57.5	0	0	0	0	107.8	I190	S188-I190 PolarHBondContact O-N 3.18Å; S188-I190 VanDerWaalsContact O-N 3.1Å
189	P	34.6	Very low	32.3	Very low	127 Å²	127	154.4 Å²	154.4	83%	0.825	81%	0.808	S	S	*	*			trans	-66.1	114.3	-179.6	26.9	-33.4	0	0	0	110.1
190	I	29.1	Very low	31.8	Very low	150 Å²	150	148.2 Å²	148.2	77%	0.769	80%	0.797	S	S	*	*			trans	-81	122.4	175.3	-61.6	176.4	0	0	0	108.5	S188 I192	S188-I190 PolarHBondContact O-N 3.18Å; S188-I190 VanDerWaalsContact O-N 3.1Å; I190-I192 HydrophobicContact CG2-CD1 4.33Å; I190-I192 HydrophobicContact CG2-CG1 4.06Å
191	T	37.3	Very low	32.2	Very low	136 Å²	136	146.9 Å²	146.9	83%	0.834	80%	0.795	S	S	*	*			trans	-81.2	124.9	171.9	49.7	0	0	0	0	110.9
192	I	32.8	Very low	32	Very low	136 Å²	136	145.8 Å²	145.8	70%	0.697	79%	0.793	S	S	*	*			trans	-135.3	127.2	167.2	-60.3	-178.2	0	0	0	108.6	I190	I190-I192 HydrophobicContact CG2-CD1 4.33Å; I190-I192 HydrophobicContact CG2-CG1 4.06Å
193	N	31.6	Very low	32	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	80%	0.795	S	S	*	*	S	Bend	trans	62.8	118.8	-178.6	-58.9	-11.1	0	0	0	115.1	V195	N193-V195 PolarHBondContact O-N 3.07Å
194	E	43.7	Very low	32.2	Very low	208 Å²	208	144.3 Å²	144.3	97%	0.972	80%	0.796	S	S	*	*			trans	-70.6	83.4	-173.1	-61.6	-179.2	128.9	0	0	113.2
195	V	32.7	Very low	32.5	Very low	114 Å²	114	140 Å²	140	69%	0.691	78%	0.782	S	S	*	*			trans	-130.2	109.2	165.9	-177.6	0	0	0	0	109.5	N193 Q197	N193-V195 PolarHBondContact O-N 3.07Å; V195-Q197 PolarHBondContact O-N 3.19Å
196	V	37	Very low	33.2	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	77%	0.765	S	S	*	*			trans	-74.7	119.1	166.4	176.5	0	0	0	0	108.1
197	Q	29	Very low	34.1	Very low	166 Å²	166	138 Å²	138	78%	0.776	76%	0.755	S	S	*	*			trans	-111.3	85	172.5	-166.7	76.6	75.2	0	0	109.2	V195	V195-Q197 PolarHBondContact O-N 3.19Å
198	E	34.6	Very low	35.3	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.762	73%	0.734	S	S	*	*			trans	-78.3	140.6	169.3	-175.7	173.7	-144.4	0	0	110.4
199	H	27.1	Very low	37.1	Very low	173 Å²	173	133.8 Å²	133.8	80%	0.801	72%	0.719	S	S	*	*			trans	141.7	144.1	171	-79.8	-42.5	0	0	0	108.9
200	V	27.3	Very low	38.7	Very low	114 Å²	114	130.4 Å²	130.4	69%	0.691	69%	0.693	S	S	*	*			cis	-141	158	-1.8	118.6	0	0	0	0	109	E202	V200-E202 PolarHBondContact O-N 3.23Å
201	T	38.4	Very low	41	Very low	126 Å²	126	123.4 Å²	123.4	77%	0.773	66%	0.657	S	S	*	*			trans	-70.4	109.6	175.5	50.8	0	0	0	0	112.8
202	E	28.8	Very low	42.3	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	65%	0.645	S	S	*	*			trans	-90.6	119.4	166.2	-77.4	-151.2	132.4	0	0	112.4	V200 V204	V200-E202 PolarHBondContact O-N 3.23Å; E202-V204 PolarHBondContact O-N 3.04Å
203	N	30.6	Very low	43.5	Very low	142 Å²	142	120.9 Å²	120.9	76%	0.759	64%	0.641	S	S	*	*			trans	-72	106.7	177.6	-72.4	-36.1	0	0	0	111.1	T205	N203-T205 PolarHBondContact O-N 3.27Å; N203-T205 PolarHBondContact O-OG1 3.38Å
204	V	31.7	Very low	45.3	Very low	148 Å²	148	115.8 Å²	115.8	90%	0.897	62%	0.617	S	S	*	*			trans	-63.9	82.6	176.9	-175.3	0	0	0	0	111	E202 S206	E202-V204 PolarHBondContact O-N 3.04Å; V204-S206 PolarHBondContact O-N 2.8Å
205	T	39.9	Very low	46.5	Very low	90 Å²	90	107.6 Å²	107.6	55%	0.552	59%	0.588	S	S	*	*			trans	-69.9	126.4	-178.1	-66.9	0	0	0	0	109.5	N203 K209	N203-T205 PolarHBondContact O-N 3.27Å; N203-T205 PolarHBondContact O-OG1 3.38Å; T205-K209 VanDerWaalsContact CG2-NZ 3.28Å
206	S	39.6	Very low	48.1	Very low	55 Å²	55	108.6 Å²	108.6	39%	0.385	58%	0.584	S	S	.	*			trans	-53.8	126.4	-178.7	60.7	0	0	0	0	111.4	V204 Y208	V204-S206 PolarHBondContact O-N 2.8Å; S206-Y208 PolarHBondContact O-N 2.96Å; S206-Y208 PolarHBondContact OG-O 3.31Å
207	P	54.5	Low	49.7	Very low	98 Å²	98	107 Å²	107	64%	0.636	57%	0.57	S	S	*	*	S	Bend	trans	-74.1	17.2	-170.6	30.8	-37.6	0	0	0	114.3
208	Y	52.4	Low	51.9	Low	117 Å²	117	100.8 Å²	100.8	46%	0.459	54%	0.54	S	S	.	.	S	Bend	trans	-136.7	136.3	174.3	-53.8	-76.1	0	0	0	108.7	S206 L217 F218 L219	S206-Y208 PolarHBondContact O-N 2.96Å; S206-Y208 PolarHBondContact OG-O 3.31Å; Y208-L217 HydrophobicContact CG-CD2 4.28Å; Y208-F218 CarbonylContact C-O 3.44Å; Y208-F218 WeakPolarHBondContact CA-O 3.47Å; Y208-L219 HydrophobicContact CD1-CD1 3.9Å; Y208-L219 HydrophobicContact CD1-CG 3.98Å; Y208-L219 HydrophobicContact CE1-CD1 3.71Å; Y208-L219 HydrophobicContact CE1-CG 3.78Å
209	K	67.1	Low	53.6	Low	86 Å²	86	98.7 Å²	98.7	37%	0.374	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.6	172.3	-52.8	-60.2	-175.3	-179.5	0	108.8	T205 F218 L224	T205-K209 VanDerWaalsContact CG2-NZ 3.28Å; K209-F218 PolarHBondContact N-O 3.21Å; K209-F218 PolarHBondContact O-N 2.96Å; K209-L224 HydrophobicContact CB-CD2 3.53Å
210	I	67.6	Low	55.5	Low	55 Å²	55	94.4 Å²	94.4	28%	0.282	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.8	-173.3	-61.3	169.1	0	0	0	109.6	M212 F216 L217	I210-M212 PolarHBondContact O-N 3.21Å; I210-F216 CarbonylContact C-O 3.59Å; I210-F216 WeakPolarHBondContact CA-O 3.44Å; I210-L217 HydrophobicContact CD1-CD2 3.98Å; I210-L217 HydrophobicContact CG1-CD2 3.49Å; I210-L217 VanDerWaalsContact CG1-CD2 3.49Å; I210-L217 HydrophobicContact CG1-CG 4.1Å
211	C	78.3	Confident	57.7	Low	3 Å²	3	96.2 Å²	96.2	2%	0.02	52%	0.515	C	S	.	.			trans	-77.8	117.3	168.5	-176.1	0	0	0	0	110.6	V213 C214 G215 F216 F218 L224	C211-V213 PolarHBondContact O-N 3.3Å; C211-C214 VanDerWaalsContact CB-SG 3.51Å; C211-C214 PolarHBondContact O-N 3.36Å; C211-C214 VanDerWaalsContact SG-SG 3.67Å; C211-G215 WeakPolarHBondContact O-CA 3.39Å; C211-G215 PolarHBondContact O-N 2.98Å; C211-F216 PolarHBondContact N-O 3.32Å; C211-F218 HydrophobicContact CB-CD2 4.46Å; C211-F218 HydrophobicContact CB-CE2 3.85Å; C211-L224 HydrophobicContact CB-CD1 3.43Å; C211-L224 VanDerWaalsContact CB-CD1 3.43Å
212	M	63.7	Low	59.3	Low	118 Å²	118	95.6 Å²	95.6	58%	0.581	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.4	-173.8	-56.9	-175.3	-65	0	0	113.2	C127 I210	C127-M212 WeakPolarHBondContact O-CE 3.37Å; I210-M212 PolarHBondContact O-N 3.21Å
213	V	58.4	Low	61.5	Low	101 Å²	101	89.4 Å²	89.4	61%	0.612	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-28.5	179.1	-166.3	0	0	0	0	112.6	C211 H231	C211-V213 PolarHBondContact O-N 3.3Å; V213-H231 HydrophobicContact CB-CB 4.4Å; V213-H231 HydrophobicContact CG1-CB 4.02Å; V213-H231 WeakPolarHBondContact CG1-ND1 3.5Å; V213-H231 HydrophobicContact CG2-CB 4.27Å
214	C	68.3	Low	63.9	Low	39 Å²	39	84.1 Å²	84.1	26%	0.264	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137	-4.9	-168.6	68.1	0	0	0	0	115.7	C211 F216 H227	C211-C214 VanDerWaalsContact CB-SG 3.51Å; C211-C214 PolarHBondContact O-N 3.36Å; C211-C214 VanDerWaalsContact SG-SG 3.67Å; C214-F216 VanDerWaalsContact C-N 3.28Å; C214-F216 HydrophobicContact CB-CD2 4.13Å; C214-F216 PolarHBondContact O-N 3.24Å; C214-H227 PolarHBondContact SG-NE2 3.48Å
215	G	69.6	Low	65.9	Low	37 Å²	37	80.5 Å²	80.5	38%	0.381	43%	0.425	S	S	.	.			trans	75.3	1.7	178.3	0	0	0	0	0	116.3	C211	C211-G215 WeakPolarHBondContact O-CA 3.39Å; C211-G215 PolarHBondContact O-N 2.98Å
216	F	66.8	Low	67.5	Low	135 Å²	135	79.6 Å²	79.6	59%	0.592	41%	0.414	S	S	*	.			trans	-70.3	139.7	-179.8	-83.4	-94.6	0	0	0	112.7	I210 C211 C214 F218	I210-F216 CarbonylContact C-O 3.59Å; I210-F216 WeakPolarHBondContact CA-O 3.44Å; C211-F216 PolarHBondContact N-O 3.32Å; C214-F216 VanDerWaalsContact C-N 3.28Å; C214-F216 HydrophobicContact CB-CD2 4.13Å; C214-F216 PolarHBondContact O-N 3.24Å; F216-F218 HydrophobicContact CB-CE2 3.58Å; F216-F218 HydrophobicContact CB-CZ 3.82Å; F216-F218 WeakPolarHBondContact O-CD2 3.21Å; F216-F218 WeakPolarHBondContact O-CE2 3.29Å
217	L	69.8	Low	69.4	Low	104 Å²	104	79.2 Å²	79.2	55%	0.545	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	177.8	-77.7	152	0	0	0	110.7	Y208 I210	Y208-L217 HydrophobicContact CG-CD2 4.28Å; I210-L217 HydrophobicContact CD1-CD2 3.98Å; I210-L217 HydrophobicContact CG1-CD2 3.49Å; I210-L217 VanDerWaalsContact CG1-CD2 3.49Å; I210-L217 HydrophobicContact CG1-CG 4.1Å
218	F	76	Confident	69.9	Low	34 Å²	34	76.4 Å²	76.4	15%	0.149	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.1	177.9	-62.7	-87.1	0	0	0	109.7	Y208 K209 C211 F216 L224 H227	Y208-F218 CarbonylContact C-O 3.44Å; Y208-F218 WeakPolarHBondContact CA-O 3.47Å; K209-F218 PolarHBondContact N-O 3.21Å; K209-F218 PolarHBondContact O-N 2.96Å; C211-F218 HydrophobicContact CB-CD2 4.46Å; C211-F218 HydrophobicContact CB-CE2 3.85Å; F216-F218 HydrophobicContact CB-CE2 3.58Å; F216-F218 HydrophobicContact CB-CZ 3.82Å; F216-F218 WeakPolarHBondContact O-CD2 3.21Å; F216-F218 WeakPolarHBondContact O-CE2 3.29Å; F218-L224 HydrophobicContact CB-CB 4.11Å; F218-L224 HydrophobicContact CD2-CB 4.15Å; F218-L224 HydrophobicContact CD2-CD1 4.05Å; F218-L224 HydrophobicContact CE2-CD1 4.38Å; F218-L224 HydrophobicContact CG-CB 4.17Å; F218-H227 HydrophobicContact CE1-CB 3.76Å; F218-H227 AromaticContact CE1-CG 3.99Å; F218-H227 HydrophobicContact CE2-CB 4.1Å; F218-H227 AromaticContact CE2-CD2 3.94Å; F218-H227 AromaticContact CE2-CG 3.96Å; F218-H227 HydrophobicContact CZ-CB 3.47Å; F218-H227 VanDerWaalsContact CZ-CB 3.47Å; F218-H227 AromaticContact CZ-CD2 3.66Å; F218-H227 AromaticContact CZ-CG 3.28Å; F218-H227 AromaticContact CZ-ND1 3.7Å
219	L	69.9	Low	70.9	Confident	120 Å²	120	76.1 Å²	76.1	63%	0.628	39%	0.39	S	S	*	.	S	Bend	trans	-70.8	-47	174.9	-79.3	69.2	0	0	0	110.2	Y208	Y208-L219 HydrophobicContact CD1-CD1 3.9Å; Y208-L219 HydrophobicContact CD1-CG 3.98Å; Y208-L219 HydrophobicContact CE1-CD1 3.71Å; Y208-L219 HydrophobicContact CE1-CG 3.78Å
220	N	67.1	Low	70.9	Confident	82 Å²	82	76.9 Å²	76.9	44%	0.439	40%	0.402	S	S	.	.	S	Bend	trans	-107.2	144.2	-170.5	-63.2	16.1	0	0	0	111.8	E222 T223 L224	N220-E222 PolarHBondContact O-N 2.77Å; N220-T223 HydrophobicContact CB-CG2 4.45Å; N220-T223 PolarHBondContact N-OG1 3.15Å; N220-T223 PolarHBondContact O-N 3.32Å; N220-T223 PolarHBondContact O-OG1 3.16Å; N220-L224 PolarHBondContact O-N 3.42Å; N220-L224 VanDerWaalsContact O-N 3.16Å
221	K	73.9	Confident	70.8	Confident	153 Å²	153	78 Å²	78	67%	0.665	41%	0.405	S	S	*	.	H	α-helix	trans	-55.8	-36.6	172.7	-172.8	-175.6	177.2	-175.3	0	111.4	L224 I225	K221-L224 WeakPolarHBondContact O-CB 3.36Å; K221-L224 PolarHBondContact O-N 3.43Å; K221-I225 HydrophobicContact CD-CD1 4.44Å; K221-I225 HydrophobicContact CG-CD1 3.92Å; K221-I225 WeakPolarHBondContact O-CG1 3.5Å; K221-I225 PolarHBondContact O-N 2.88Å
222	E	71.3	Confident	69.9	Low	112 Å²	112	82.7 Å²	82.7	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-62	-52.5	177.1	-64.7	142.2	174.1	0	0	111.9	N220 L224 I225 E226	N220-E222 PolarHBondContact O-N 2.77Å; E222-L224 PolarHBondContact O-N 3.31Å; E222-I225 CarbonylContact O-C 3.55Å; E222-I225 WeakPolarHBondContact O-CA 3.07Å; E222-I225 PolarHBondContact O-N 3.43Å; E222-E226 PolarHBondContact O-N 2.88Å
223	T	75	Confident	69	Low	49 Å²	49	83.2 Å²	83.2	30%	0.301	43%	0.434	S	S	.	.	H	α-helix	trans	-62.7	-27.6	178.1	52.9	0	0	0	0	113	N220 H227	N220-T223 HydrophobicContact CB-CG2 4.45Å; N220-T223 PolarHBondContact N-OG1 3.15Å; N220-T223 PolarHBondContact O-N 3.32Å; N220-T223 PolarHBondContact O-OG1 3.16Å; T223-H227 WeakPolarHBondContact O-CB 3.39Å; T223-H227 PolarHBondContact O-N 3.24Å; T223-H227 VanDerWaalsContact O-N 3.09Å
224	L	80.8	Confident	67.9	Low	31 Å²	31	87.7 Å²	87.7	16%	0.162	45%	0.448	C	S	.	.	H	α-helix	trans	-70.4	-42.2	169.5	166.4	59.9	0	0	0	111.9	K209 C211 F218 N220 K221 E222 H227 S228	K209-L224 HydrophobicContact CB-CD2 3.53Å; C211-L224 HydrophobicContact CB-CD1 3.43Å; C211-L224 VanDerWaalsContact CB-CD1 3.43Å; F218-L224 HydrophobicContact CB-CB 4.11Å; F218-L224 HydrophobicContact CD2-CB 4.15Å; F218-L224 HydrophobicContact CD2-CD1 4.05Å; F218-L224 HydrophobicContact CE2-CD1 4.38Å; F218-L224 HydrophobicContact CG-CB 4.17Å; N220-L224 PolarHBondContact O-N 3.42Å; N220-L224 VanDerWaalsContact O-N 3.16Å; K221-L224 WeakPolarHBondContact O-CB 3.36Å; K221-L224 PolarHBondContact O-N 3.43Å; E222-L224 PolarHBondContact O-N 3.31Å; L224-H227 CarbonylContact O-C 3.58Å; L224-H227 PolarHBondContact O-N 3.04Å; L224-S228 PolarHBondContact O-N 3.21Å
225	I	73.3	Confident	66.1	Low	71 Å²	71	91.3 Å²	91.3	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-70.2	-35.2	177.7	-69.9	165.3	0	0	0	111.5	K221 E222 H227 S228 K229	K221-I225 HydrophobicContact CD-CD1 4.44Å; K221-I225 HydrophobicContact CG-CD1 3.92Å; K221-I225 WeakPolarHBondContact O-CG1 3.5Å; K221-I225 PolarHBondContact O-N 2.88Å; E222-I225 CarbonylContact O-C 3.55Å; E222-I225 WeakPolarHBondContact O-CA 3.07Å; E222-I225 PolarHBondContact O-N 3.43Å; I225-H227 VanDerWaalsContact C-N 3.33Å; I225-S228 WeakPolarHBondContact CA-OG 3.14Å; I225-S228 PolarHBondContact O-N 3.3Å; I225-S228 PolarHBondContact O-OG 2.85Å; I225-S228 VanDerWaalsContact O-OG 3.06Å; I225-K229 WeakPolarHBondContact O-CD 3.16Å; I225-K229 VanDerWaalsContact O-CG 3.3Å; I225-K229 WeakPolarHBondContact O-CG 3.49Å; I225-K229 PolarHBondContact O-N 2.75Å
226	E	75.1	Confident	64.2	Low	72 Å²	72	95.6 Å²	95.6	34%	0.336	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-42.9	170.1	-174.8	-177.8	-133.1	0	0	110.7	E222 N360 G361	E222-E226 PolarHBondContact O-N 2.88Å; E226-N360 VanDerWaalsContact OE1-C 3.25Å; E226-N360 WeakPolarHBondContact OE1-CA 3.42Å; E226-G361 PolarHBondContact OE1-N 3Å
227	H	78.1	Confident	62.9	Low	46 Å²	46	95 Å²	95	21%	0.213	50%	0.501	C	S	.	.	H	α-helix	trans	-72	-35.8	176.4	-173.7	80.2	0	0	0	113.7	C214 F218 T223 L224 I225 K229 V230 H231	C214-H227 PolarHBondContact SG-NE2 3.48Å; F218-H227 HydrophobicContact CE1-CB 3.76Å; F218-H227 AromaticContact CE1-CG 3.99Å; F218-H227 HydrophobicContact CE2-CB 4.1Å; F218-H227 AromaticContact CE2-CD2 3.94Å; F218-H227 AromaticContact CE2-CG 3.96Å; F218-H227 HydrophobicContact CZ-CB 3.47Å; F218-H227 VanDerWaalsContact CZ-CB 3.47Å; F218-H227 AromaticContact CZ-CD2 3.66Å; F218-H227 AromaticContact CZ-CG 3.28Å; F218-H227 AromaticContact CZ-ND1 3.7Å; T223-H227 WeakPolarHBondContact O-CB 3.39Å; T223-H227 PolarHBondContact O-N 3.24Å; T223-H227 VanDerWaalsContact O-N 3.09Å; L224-H227 CarbonylContact O-C 3.58Å; L224-H227 PolarHBondContact O-N 3.04Å; I225-H227 VanDerWaalsContact C-N 3.33Å; H227-K229 VanDerWaalsContact C-N 3.26Å; H227-K229 PolarHBondContact O-N 3.49Å; H227-V230 VanDerWaalsContact O-CB 3.26Å; H227-V230 WeakPolarHBondContact O-CB 3.35Å; H227-V230 WeakPolarHBondContact O-CG2 3.4Å; H227-V230 PolarHBondContact O-N 3.18Å; H227-H231 AromaticContact CD2-NE2 3.54Å; H227-H231 AromaticContact CE1-NE2 3.93Å; H227-H231 AromaticContact NE2-CE1 3.96Å; H227-H231 AromaticContact NE2-NE2 3.04Å; H227-H231 PolarHBondContact NE2-NE2 2.82Å; H227-H231 PolarHBondContact O-CD2 2.74Å
228	S	65.5	Low	60.9	Low	40 Å²	40	97.7 Å²	97.7	28%	0.28	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-34.2	179.4	67.5	0	0	0	0	111.7	L224 I225 V230 H231	L224-S228 PolarHBondContact O-N 3.21Å; I225-S228 WeakPolarHBondContact CA-OG 3.14Å; I225-S228 PolarHBondContact O-N 3.3Å; I225-S228 PolarHBondContact O-OG 2.85Å; I225-S228 VanDerWaalsContact O-OG 3.06Å; S228-V230 PolarHBondContact O-N 3.08Å; S228-H231 PolarHBondContact O-N 2.97Å
229	K	73.4	Confident	58.8	Low	110 Å²	110	99.1 Å²	99.1	48%	0.478	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.9	172.3	-69.3	167.2	-175.9	178.2	0	114.8	I225 H227 T232	I225-K229 WeakPolarHBondContact O-CD 3.16Å; I225-K229 VanDerWaalsContact O-CG 3.3Å; I225-K229 WeakPolarHBondContact O-CG 3.49Å; I225-K229 PolarHBondContact O-N 2.75Å; H227-K229 VanDerWaalsContact C-N 3.26Å; H227-K229 PolarHBondContact O-N 3.49Å; K229-T232 WeakPolarHBondContact CA-OG1 3.42Å
230	V	66.7	Low	56.7	Low	103 Å²	103	103.3 Å²	103.3	62%	0.624	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-25.2	172.3	-175	0	0	0	0	111.5	H227 S228	H227-V230 VanDerWaalsContact O-CB 3.26Å; H227-V230 WeakPolarHBondContact O-CB 3.35Å; H227-V230 WeakPolarHBondContact O-CG2 3.4Å; H227-V230 PolarHBondContact O-N 3.18Å; S228-V230 PolarHBondContact O-N 3.08Å
231	H	66.3	Low	54.9	Low	77 Å²	77	104.5 Å²	104.5	36%	0.356	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-12.4	-179.3	-55.2	-82.1	0	0	0	113.4	V213 H227 S228	V213-H231 HydrophobicContact CB-CB 4.4Å; V213-H231 HydrophobicContact CG1-CB 4.02Å; V213-H231 WeakPolarHBondContact CG1-ND1 3.5Å; V213-H231 HydrophobicContact CG2-CB 4.27Å; H227-H231 AromaticContact CD2-NE2 3.54Å; H227-H231 AromaticContact CE1-NE2 3.93Å; H227-H231 AromaticContact NE2-CE1 3.96Å; H227-H231 AromaticContact NE2-NE2 3.04Å; H227-H231 PolarHBondContact NE2-NE2 2.82Å; H227-H231 PolarHBondContact O-CD2 2.74Å; S228-H231 PolarHBondContact O-N 2.97Å
232	T	59.4	Low	53.6	Low	103 Å²	103	102.3 Å²	102.3	63%	0.632	57%	0.573	S	S	*	*			trans	-104.5	49.5	-173.8	64.2	0	0	0	0	112.6	K229	K229-T232 WeakPolarHBondContact CA-OG1 3.42Å
233	K	44.3	Very low	51.4	Low	129 Å²	129	105.3 Å²	105.3	56%	0.561	59%	0.587	S	S	*	*			trans	-136.5	89.2	-179.6	-78.2	-162.6	168.9	-143.9	0	113.2	Y357	K233-Y357 PolarHBondContact NZ-O 3.28Å
234	E	34.4	Very low	49.2	Very low	194 Å²	194	108 Å²	108	91%	0.907	60%	0.604	S	S	*	*				174.9	113.6	126.3	-100.8	177.3	-178.2	0	0	111.6
235	S	31.9	Very low	46.5	Very low	115 Å²	115	113.2 Å²	113.2	80%	0.804	64%	0.636	S	S	*	*			trans	171.7	114.5	137.1	59.3	0	0	0	0	111.2
236	V	29	Very low	44.3	Very low	128 Å²	128	112.9 Å²	112.9	78%	0.776	65%	0.651	S	S	*	*			trans	-142.6	114	160.2	177.3	0	0	0	0	108.2
237	P	39.4	Very low	42	Very low	121 Å²	121	119.2 Å²	119.2	79%	0.786	68%	0.68	S	S	*	*			trans	-87.6	130.4	163.8	32.9	-28.5	0	0	0	110.4
238	N	27.7	Very low	39.6	Very low	162 Å²	162	121.8 Å²	121.8	87%	0.866	70%	0.704	S	S	*	*			trans	-121.2	135.8	159.7	-90	-32.3	0	0	0	106.9
239	G	31.5	Very low	37.7	Very low	63 Å²	63	126.2 Å²	126.2	65%	0.649	72%	0.724	S	S	*	*			cis	176	-123.5	-1.7	0	0	0	0	0	111
240	E	27.1	Very low	35.5	Very low	208 Å²	208	128.8 Å²	128.8	97%	0.972	74%	0.738	S	S	*	*			trans	84.6	136.9	-179.9	-53.1	-164.3	158.7	0	0	116.9
241	S	29.5	Very low	33.9	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	75%	0.747	S	S	*	*			trans	-135.8	155.6	179.5	173.8	0	0	0	0	106.6
242	P	45.3	Very low	32.4	Very low	107 Å²	107	137.1 Å²	137.1	70%	0.695	77%	0.77	S	S	*	*				-151.7	140.6	117.9	32.3	-13.5	0	0	0	117.1
243	Q	26.3	Very low	31.1	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.822	77%	0.769	S	S	*	*			trans	71.3	154.1	136.9	-68.7	-169	38.1	0	0	118.9
244	V	27.3	Very low	31	Very low	106 Å²	106	134.7 Å²	134.7	64%	0.642	77%	0.77	S	S	*	*			cis	-156.7	168.9	-2.4	105.4	0	0	0	0	112.4
245	T	25.4	Very low	31.3	Very low	139 Å²	139	133.2 Å²	133.2	85%	0.853	76%	0.763	S	S	*	*			trans	63.9	137.9	170.2	36.6	0	0	0	0	118.6
246	G	25.7	Very low	31.8	Very low	65 Å²	65	137.4 Å²	137.4	67%	0.67	76%	0.761	S	S	*	*			cis	168.9	149.3	-9	0	0	0	0	0	113.8
247	E	27.8	Very low	32.3	Very low	204 Å²	204	136 Å²	136	95%	0.953	75%	0.746	S	S	*	*			trans	65.6	141.5	167.7	-60.6	179.9	177.8	0	0	116.5
248	S	27.3	Very low	32.6	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	74%	0.741	S	S	*	*			cis	-150.9	175.4	3.5	58.5	0	0	0	0	111.9
249	N	26.6	Very low	33.5	Very low	134 Å²	134	136.2 Å²	136.2	72%	0.717	73%	0.729	S	S	*	*			trans	11.3	145.8	151.3	-57.8	-21.2	0	0	0	120.3
250	Q	27.4	Very low	34.4	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.762	73%	0.727	S	S	*	*			cis	-161.2	179.6	0.2	-116.3	168.5	-8.5	0	0	107.3
251	E	31.5	Very low	35.3	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	71%	0.714	S	S	*	*	S	Bend	trans	58.6	89.7	176.3	-53.1	-179	152	0	0	113.6
252	E	35.4	Very low	36	Very low	181 Å²	181	141 Å²	141	85%	0.846	72%	0.716	S	S	*	*	S	Bend		-138.5	25.2	83.1	-68.9	-174	127.5	0	0	113.7	S254	E252-S254 PolarHBondContact O-N 3.47Å; E252-S254 VanDerWaalsContact O-N 3.09Å
253	T	31.9	Very low	36.3	Very low	99 Å²	99	141.5 Å²	141.5	61%	0.607	71%	0.712	S	S	*	*	H	α-helix	trans	-60.4	-22.3	-177.7	44.2	0	0	0	0	114.5	R256 E257	T253-R256 PolarHBondContact O-N 2.86Å; T253-E257 PolarHBondContact O-N 3.19Å
254	S	41.8	Very low	36.7	Very low	83 Å²	83	138.9 Å²	138.9	58%	0.58	70%	0.704	S	S	*	*	H	α-helix	trans	-57	-52.5	-172.2	-46.4	0	0	0	0	114.4	E252 R256 E257 E258	E252-S254 PolarHBondContact O-N 3.47Å; E252-S254 VanDerWaalsContact O-N 3.09Å; S254-R256 VanDerWaalsContact C-N 3.28Å; S254-R256 PolarHBondContact O-N 2.75Å; S254-E257 PolarHBondContact O-N 2.86Å; S254-E258 PolarHBondContact O-N 3.19Å; S254-E258 VanDerWaalsContact O-N 3.12Å
255	Q	41.9	Very low	37	Very low	162 Å²	162	142.2 Å²	142.2	76%	0.757	72%	0.717	S	S	*	*	H	α-helix	trans	-65.7	-31.9	-175.4	-67.8	-174.8	3.4	0	0	112.6	F259	Q255-F259 PolarHBondContact O-N 3.4Å
256	R	41.9	Very low	37.5	Very low	203 Å²	203	144.8 Å²	144.8	77%	0.766	71%	0.711	S	S	*	*	H	α-helix	trans	-78.1	-34.8	-176.5	-130.4	177.5	-168.8	123.3	0.6	112.3	T253 S254 L260	T253-R256 PolarHBondContact O-N 2.86Å; S254-R256 VanDerWaalsContact C-N 3.28Å; S254-R256 PolarHBondContact O-N 2.75Å; R256-L260 WeakPolarHBondContact O-CG 3.45Å; R256-L260 PolarHBondContact O-N 3.28Å
257	E	39.8	Very low	37.8	Very low	99 Å²	99	148 Å²	148	46%	0.463	72%	0.72	S	S	.	*	H	α-helix	trans	-74	-34.3	172.7	-72.7	-148.1	98.4	0	0	112.6	T253 S254 L260 R261 R266	T253-E257 PolarHBondContact O-N 3.19Å; S254-E257 PolarHBondContact O-N 2.86Å; E257-L260 PolarHBondContact O-N 3.33Å; E257-R261 WeakPolarHBondContact O-CB 3.43Å; E257-R261 VanDerWaalsContact O-CG 3.31Å; E257-R261 WeakPolarHBondContact O-CG 3.16Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R266 IonicContact OE1-NH2 3.84Å; E257-R266 PolarHBondContact OE1-NH2 2.91Å
258	E	45.9	Very low	37.9	Very low	146 Å²	146	145.9 Å²	145.9	68%	0.682	72%	0.715	S	S	*	*	H	α-helix	trans	-62.3	-46	174.9	-171	162.4	-137.7	0	0	111.6	S254 L260 R261 F262	S254-E258 PolarHBondContact O-N 3.19Å; S254-E258 VanDerWaalsContact O-N 3.12Å; E258-L260 VanDerWaalsContact C-N 3.34Å; E258-L260 PolarHBondContact O-N 3.17Å; E258-R261 PolarHBondContact O-N 2.72Å; E258-F262 PolarHBondContact O-N 2.99Å
259	F	46.8	Very low	38.2	Very low	141 Å²	141	148.6 Å²	148.6	62%	0.618	72%	0.721	S	S	*	*	H	α-helix	trans	-59.8	-40.4	174	-173.9	-98.3	0	0	0	113.1	Q255 F262 L263	Q255-F259 PolarHBondContact O-N 3.4Å; F259-F262 WeakPolarHBondContact O-CB 3.4Å; F259-F262 PolarHBondContact O-N 3.35Å; F259-L263 HydrophobicContact CE1-CD1 4.05Å; F259-L263 HydrophobicContact CZ-CD1 4.17Å
260	L	49.1	Very low	38.5	Very low	113 Å²	113	148.5 Å²	148.5	59%	0.592	73%	0.725	S	S	*	*	H	α-helix	trans	-76.4	-25.4	178.9	-69.2	172.6	0	0	0	113.2	R256 E257 E258 L263 N264	R256-L260 WeakPolarHBondContact O-CG 3.45Å; R256-L260 PolarHBondContact O-N 3.28Å; E257-L260 PolarHBondContact O-N 3.33Å; E258-L260 VanDerWaalsContact C-N 3.34Å; E258-L260 PolarHBondContact O-N 3.17Å; L260-L263 PolarHBondContact O-N 3.4Å; L260-N264 PolarHBondContact O-N 3.1Å
261	R	45.8	Very low	39.1	Very low	185 Å²	185	145.7 Å²	145.7	70%	0.698	72%	0.721	S	S	*	*	H	α-helix	trans	-75.3	-23.7	169.3	-73.2	-178.9	71.3	170.6	1.2	112.8	E257 E258 L263 N264	E257-R261 WeakPolarHBondContact O-CB 3.43Å; E257-R261 VanDerWaalsContact O-CG 3.31Å; E257-R261 WeakPolarHBondContact O-CG 3.16Å; E257-R261 PolarHBondContact O-N 3.33Å; E258-R261 PolarHBondContact O-N 2.72Å; R261-L263 PolarHBondContact O-N 3.35Å; R261-N264 VanDerWaalsContact O-CG 3.27Å; R261-N264 PolarHBondContact O-ND2 3.26Å; R261-N264 VanDerWaalsContact O-ND2 3.11Å; R261-N264 PolarHBondContact O-OD1 3.03Å
262	F	45.4	Very low	39	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.794	72%	0.719	S	S	*	*	H	α-helix	trans	-68.6	-22.9	171.9	-153.9	-88.6	0	0	0	112.9	E258 F259	E258-F262 PolarHBondContact O-N 2.99Å; F259-F262 WeakPolarHBondContact O-CB 3.4Å; F259-F262 PolarHBondContact O-N 3.35Å
263	L	50.6	Low	38.5	Very low	117 Å²	117	142.7 Å²	142.7	61%	0.613	71%	0.711	S	S	*	*	S	Bend	trans	-114.7	0.1	-175.4	-63.3	176.6	0	0	0	115	F259 L260 R261	F259-L263 HydrophobicContact CE1-CD1 4.05Å; F259-L263 HydrophobicContact CZ-CD1 4.17Å; L260-L263 PolarHBondContact O-N 3.4Å; R261-L263 PolarHBondContact O-N 3.35Å
264	N	35.9	Very low	38.4	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	71%	0.712	S	S	*	*			trans	29.9	86.5	167.5	-76	-47.9	0	0	0	117.6	L260 R261	L260-N264 PolarHBondContact O-N 3.1Å; R261-N264 VanDerWaalsContact O-CG 3.27Å; R261-N264 PolarHBondContact O-ND2 3.26Å; R261-N264 VanDerWaalsContact O-ND2 3.11Å; R261-N264 PolarHBondContact O-OD1 3.03Å
265	L	32.1	Very low	37.9	Very low	175 Å²	175	148 Å²	148	92%	0.916	72%	0.721	S	S	*	*			trans	-174.1	144.6	132.7	-100.1	159.5	0	0	0	110.6
266	R	36.6	Very low	37.3	Very low	194 Å²	194	145.4 Å²	145.4	73%	0.732	72%	0.72	S	S	*	*			trans	-114.2	139.7	-177.5	-74.1	177	166.6	175.9	-7.8	110.9	E257	E257-R266 IonicContact OE1-NH2 3.84Å; E257-R266 PolarHBondContact OE1-NH2 2.91Å
267	P	33.1	Very low	36.8	Very low	131 Å²	131	144.6 Å²	144.6	85%	0.851	73%	0.725	S	S	*	*			trans	-69.7	152.6	167.3	-14.3	29.6	0	0	0	111.6
268	N	28.3	Very low	36.3	Very low	160 Å²	160	149.4 Å²	149.4	86%	0.856	75%	0.745	S	S	*	*			trans	-117.4	154.5	176.9	-148.5	-3.5	0	0	0	110.9
269	L	35.3	Very low	36.7	Very low	158 Å²	158	147.9 Å²	147.9	83%	0.827	75%	0.747	S	S	*	*			trans	-121.2	-165.2	-173.9	-83.6	169.2	0	0	0	111.6
270	V	31.6	Very low	35.8	Very low	131 Å²	131	147.2 Å²	147.2	79%	0.794	75%	0.754	S	S	*	*			trans	87.1	136	168.6	-176.1	0	0	0	0	114.7
271	P	40.1	Very low	35	Very low	105 Å²	105	150.2 Å²	150.2	68%	0.682	76%	0.763	S	S	*	*			cis	-142.6	-177	-30	42.6	-23.7	0	0	0	116.2
272	E	29.4	Very low	34.1	Very low	166 Å²	166	151.8 Å²	151.8	78%	0.776	77%	0.769	S	S	*	*			trans	24.7	156.5	137	-64.9	-154.1	146.8	0	0	123.6
273	N	25.4	Very low	33.6	Very low	126 Å²	126	149.8 Å²	149.8	67%	0.674	77%	0.765	S	S	*	*			cis	-171.7	-176.6	-2.6	-108.3	-13	0	0	0	108.3
274	D	29.1	Very low	32.6	Very low	116 Å²	116	148.8 Å²	148.8	62%	0.62	77%	0.773	S	S	*	*			cis	-172	175.7	-17.8	169.4	35	0	0	0	107
275	K	32.5	Very low	32.9	Very low	178 Å²	178	151.5 Å²	151.5	77%	0.774	78%	0.782	S	S	*	*			trans	78.4	140.2	164.7	-50	-177.1	-172.1	168.1	0	116.1
276	S	29.4	Very low	33.1	Very low	106 Å²	106	150.7 Å²	150.7	74%	0.741	78%	0.778	S	S	*	*			cis	-163.9	-177.8	-3.1	53.2	0	0	0	0	112.8
277	Q	30.8	Very low	33.3	Very low	186 Å²	186	145.8 Å²	145.8	87%	0.869	77%	0.766	S	S	*	*			trans	102.5	163.2	166.1	-55.1	-167.2	-3.7	0	0	119.3
278	K	28.3	Very low	33.9	Very low	201 Å²	201	144.1 Å²	144.1	87%	0.874	76%	0.755	S	S	*	*			trans	-153	176	-161	-76.3	-176.7	178.4	179.5	0	109.2
279	P	56	Low	34.5	Very low	113 Å²	113	143 Å²	143	73%	0.734	74%	0.743	S	S	*	*			cis	-131.2	-141.3	-38.4	37.1	-16.8	0	0	0	111.4
280	V	27	Very low	35.2	Very low	127 Å²	127	140.2 Å²	140.2	77%	0.77	73%	0.729	S	S	*	*			trans	87.5	142	167.9	-176.3	0	0	0	0	116.4
281	K	32.8	Very low	36.5	Very low	177 Å²	177	138.4 Å²	138.4	77%	0.77	72%	0.719	S	S	*	*			cis	-161	138.9	-33.5	-103	-166.9	176.2	-176.6	0	109.8
282	W	27.1	Very low	36.7	Very low	217 Å²	217	139 Å²	139	82%	0.822	71%	0.708	S	S	*	*			trans	42.3	120.5	141.3	-70.7	67.1	0	0	0	124.1
283	I	35	Very low	37.4	Very low	140 Å²	140	136 Å²	136	72%	0.718	69%	0.694	S	S	*	*				39.4	125.2	127.2	-52.5	-171.7	0	0	0	120.5
284	A	28.1	Very low	38.6	Very low	95 Å²	95	132.7 Å²	132.7	79%	0.785	68%	0.684	S	S	*	*			trans	-158.2	122.3	134.3	0	0	0	0	0	113.8
285	E	42.5	Very low	40.1	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	68%	0.683	S	S	*	*			trans	-21.5	144.3	149.1	-172.6	167.2	-145.6	0	0	117.9
286	L	35.7	Very low	40.9	Very low	157 Å²	157	129.9 Å²	129.9	82%	0.822	66%	0.664	S	S	*	*			trans	-109.9	127.3	166.7	-84.9	175.6	0	0	0	111.1
287	D	41.6	Very low	42	Very low	91 Å²	91	131.7 Å²	131.7	49%	0.487	66%	0.664	S	S	.	*			trans	-64.4	126.7	-171.2	175.3	14.8	0	0	0	114	F289 N290 T291	D287-F289 PolarHBondContact O-N 2.94Å; D287-F289 WeakPolarHBondContact OD1-CB 3.43Å; D287-F289 PolarHBondContact OD1-N 2.94Å; D287-F289 WeakPolarHBondContact OD2-CB 3.33Å; D287-N290 PolarHBondContact O-N 3.45Å; D287-T291 PolarHBondContact O-N 2.98Å; D287-T291 PolarHBondContact O-OG1 3.16Å
288	P	46.1	Very low	43	Very low	97 Å²	97	127 Å²	127	63%	0.63	66%	0.657	S	S	*	*	H	α-helix	trans	-52.7	-32	170.6	-27.5	35.6	0	0	0	114.4	T291 Y292	P288-T291 PolarHBondContact O-N 3.41Å; P288-Y292 WeakPolarHBondContact O-CB 3.49Å; P288-Y292 PolarHBondContact O-N 3.34Å
289	F	40.3	Very low	43.9	Very low	135 Å²	135	121.6 Å²	121.6	59%	0.592	64%	0.641	S	S	*	*	H	α-helix	trans	-69.4	-39.6	-176.2	-139	-93.7	0	0	0	112.5	D287 Y292 Q293	D287-F289 PolarHBondContact O-N 2.94Å; D287-F289 WeakPolarHBondContact OD1-CB 3.43Å; D287-F289 PolarHBondContact OD1-N 2.94Å; D287-F289 WeakPolarHBondContact OD2-CB 3.33Å; F289-Y292 PolarHBondContact O-N 2.8Å; F289-Q293 WeakPolarHBondContact O-CG 3.28Å; F289-Q293 PolarHBondContact O-N 2.98Å
290	N	50.7	Low	43.2	Very low	101 Å²	101	124.3 Å²	124.3	54%	0.54	64%	0.641	S	S	.	*	H	α-helix	trans	-66.1	-40.9	174.4	-165.7	-1.4	0	0	0	111.1	D287 Y292 Q293 A294	D287-N290 PolarHBondContact O-N 3.45Å; N290-Y292 VanDerWaalsContact C-N 3.32Å; N290-Y292 PolarHBondContact O-N 3.14Å; N290-Q293 PolarHBondContact O-N 2.86Å; N290-A294 PolarHBondContact O-N 3.44Å
291	T	58.4	Low	43.5	Very low	93 Å²	93	121.8 Å²	121.8	57%	0.571	64%	0.641	S	S	*	*	H	α-helix	trans	-61.3	-40.4	174.5	-45.6	0	0	0	0	111.8	D287 P288 W295	D287-T291 PolarHBondContact O-N 2.98Å; D287-T291 PolarHBondContact O-OG1 3.16Å; P288-T291 PolarHBondContact O-N 3.41Å; T291-W295 PolarHBondContact O-N 3.14Å; T291-W295 VanDerWaalsContact O-N 3.1Å
292	Y	44.9	Very low	43.9	Very low	118 Å²	118	122.5 Å²	122.5	46%	0.463	64%	0.644	S	S	.	*	H	α-helix	trans	-71.1	-36.2	176.4	-171.6	-121.2	0	0	0	112.8	P288 F289 N290 W295 Q296	P288-Y292 WeakPolarHBondContact O-CB 3.49Å; P288-Y292 PolarHBondContact O-N 3.34Å; F289-Y292 PolarHBondContact O-N 2.8Å; N290-Y292 VanDerWaalsContact C-N 3.32Å; N290-Y292 PolarHBondContact O-N 3.14Å; Y292-W295 AromaticContact CD2-CE3 3.88Å; Y292-W295 HydrophobicContact CD2-CE3 3.88Å; Y292-W295 HydrophobicContact CD2-CZ3 4.39Å; Y292-W295 AromaticContact CE2-CE3 3.61Å; Y292-W295 HydrophobicContact CE2-CE3 3.61Å; Y292-W295 AromaticContact CE2-CZ3 3.67Å; Y292-W295 HydrophobicContact CE2-CZ3 3.67Å; Y292-W295 PolarHBondContact O-N 2.86Å; Y292-Q296 HydrophobicContact CE1-CG 4.3Å; Y292-Q296 HydrophobicContact CE2-CG 4.42Å; Y292-Q296 WeakPolarHBondContact O-CG 3.5Å; Y292-Q296 PolarHBondContact O-N 3.17Å; Y292-Q296 PolarHBondContact OH-NE2 2.82Å; Y292-Q296 VanDerWaalsContact OH-NE2 3.15Å
293	Q	43.1	Very low	44.5	Very low	101 Å²	101	118.3 Å²	118.3	47%	0.472	64%	0.642	S	S	.	*	H	α-helix	trans	-64.1	-43.1	171.9	-76.8	-172	-1	0	0	112.1	F289 N290 W295 Q296 L297	F289-Q293 WeakPolarHBondContact O-CG 3.28Å; F289-Q293 PolarHBondContact O-N 2.98Å; N290-Q293 PolarHBondContact O-N 2.86Å; Q293-W295 VanDerWaalsContact C-N 3.3Å; Q293-W295 PolarHBondContact O-N 3.24Å; Q293-Q296 PolarHBondContact O-N 3.15Å; Q293-L297 WeakPolarHBondContact O-CB 3.44Å; Q293-L297 WeakPolarHBondContact O-CG 3.47Å; Q293-L297 PolarHBondContact O-N 2.9Å
294	A	51.8	Low	44.1	Very low	58 Å²	58	116.3 Å²	116.3	48%	0.479	65%	0.646	S	S	.	*	H	α-helix	trans	-59.1	-41.7	174.1	0	0	0	0	0	112	N290 L297 A298	N290-A294 PolarHBondContact O-N 3.44Å; A294-L297 PolarHBondContact O-N 2.84Å; A294-A298 PolarHBondContact O-N 2.82Å
295	W	59.8	Low	44.4	Very low	156 Å²	156	118.2 Å²	118.2	59%	0.591	65%	0.648	S	S	*	*	H	α-helix	trans	-67.5	-38.6	175.6	-176	78.6	0	0	0	113.2	T291 Y292 Q293 A298 T299	T291-W295 PolarHBondContact O-N 3.14Å; T291-W295 VanDerWaalsContact O-N 3.1Å; Y292-W295 AromaticContact CD2-CE3 3.88Å; Y292-W295 HydrophobicContact CD2-CE3 3.88Å; Y292-W295 HydrophobicContact CD2-CZ3 4.39Å; Y292-W295 AromaticContact CE2-CE3 3.61Å; Y292-W295 HydrophobicContact CE2-CE3 3.61Å; Y292-W295 AromaticContact CE2-CZ3 3.67Å; Y292-W295 HydrophobicContact CE2-CZ3 3.67Å; Y292-W295 PolarHBondContact O-N 2.86Å; Q293-W295 VanDerWaalsContact C-N 3.3Å; Q293-W295 PolarHBondContact O-N 3.24Å; W295-A298 PolarHBondContact O-N 3.43Å; W295-T299 HydrophobicContact CZ2-CG2 4.43Å; W295-T299 WeakPolarHBondContact O-CG2 3.45Å; W295-T299 PolarHBondContact O-N 3.38Å; W295-T299 VanDerWaalsContact O-N 3.16Å; W295-T299 PolarHBondContact O-OG1 2.86Å
296	Q	50.5	Low	43.6	Very low	78 Å²	78	113.2 Å²	113.2	36%	0.364	65%	0.645	S	S	.	*	H	α-helix	trans	-67.4	-37.2	173.8	-75.2	-164.7	-10.9	0	0	112.7	Y292 Q293 T299 K300	Y292-Q296 HydrophobicContact CE1-CG 4.3Å; Y292-Q296 HydrophobicContact CE2-CG 4.42Å; Y292-Q296 WeakPolarHBondContact O-CG 3.5Å; Y292-Q296 PolarHBondContact O-N 3.17Å; Y292-Q296 PolarHBondContact OH-NE2 2.82Å; Y292-Q296 VanDerWaalsContact OH-NE2 3.15Å; Q293-Q296 PolarHBondContact O-N 3.15Å; Q296-T299 WeakPolarHBondContact CA-OG1 3.31Å; Q296-T299 PolarHBondContact O-N 3.07Å; Q296-T299 PolarHBondContact O-OG1 3Å; Q296-K300 WeakPolarHBondContact O-CB 3.33Å; Q296-K300 PolarHBondContact O-N 3.05Å
297	L	51.9	Low	43.3	Very low	145 Å²	145	115 Å²	115	76%	0.759	65%	0.649	S	S	*	*	H	α-helix	trans	-66.1	-38.4	174.7	-72.5	168.2	0	0	0	111.8	Q293 A294 T299	Q293-L297 WeakPolarHBondContact O-CB 3.44Å; Q293-L297 WeakPolarHBondContact O-CG 3.47Å; Q293-L297 PolarHBondContact O-N 2.9Å; A294-L297 PolarHBondContact O-N 2.84Å; L297-T299 VanDerWaalsContact C-N 3.3Å; L297-T299 PolarHBondContact O-N 2.76Å
298	A	50.4	Low	42.6	Very low	86 Å²	86	114 Å²	114	71%	0.711	66%	0.661	S	S	*	*	H	α-helix	trans	-68.4	-24.6	175.2	0	0	0	0	0	114	A294 W295	A294-A298 PolarHBondContact O-N 2.82Å; W295-A298 PolarHBondContact O-N 3.43Å
299	T	47.4	Very low	41.8	Very low	89 Å²	89	117.2 Å²	117.2	55%	0.546	67%	0.667	S	S	.	*	H	α-helix	trans	-105.2	-11.2	-174.2	51.3	0	0	0	0	114.9	W295 Q296 L297	W295-T299 HydrophobicContact CZ2-CG2 4.43Å; W295-T299 WeakPolarHBondContact O-CG2 3.45Å; W295-T299 PolarHBondContact O-N 3.38Å; W295-T299 VanDerWaalsContact O-N 3.16Å; W295-T299 PolarHBondContact O-OG1 2.86Å; Q296-T299 WeakPolarHBondContact CA-OG1 3.31Å; Q296-T299 PolarHBondContact O-N 3.07Å; Q296-T299 PolarHBondContact O-OG1 3Å; L297-T299 VanDerWaalsContact C-N 3.3Å; L297-T299 PolarHBondContact O-N 2.76Å
300	K	43	Very low	41.1	Very low	169 Å²	169	116.8 Å²	116.8	74%	0.735	67%	0.67	S	S	*	*			trans	-119.4	38.4	-168.7	-153.7	178.2	-179.6	-179.2	0	115.2	Q296 K302	Q296-K300 WeakPolarHBondContact O-CB 3.33Å; Q296-K300 PolarHBondContact O-N 3.05Å; K300-K302 PolarHBondContact O-N 3.37Å
301	G	32.3	Very low	40.1	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	69%	0.685	S	S	*	*			trans	-72.8	103.1	171.8	0	0	0	0	0	113.5
302	K	40.8	Very low	38.7	Very low	192 Å²	192	125.3 Å²	125.3	84%	0.835	70%	0.697	S	S	*	*			trans	-142	111.8	165.5	-77.6	-166.9	177.3	-177.4	0	109.9	K300	K300-K302 PolarHBondContact O-N 3.37Å
303	V	39.5	Very low	38.4	Very low	130 Å²	130	125.8 Å²	125.8	79%	0.788	71%	0.714	S	S	*	*				81.4	118.6	91.3	168.5	0	0	0	0	114.4	V305	V303-V305 HydrophobicContact CG1-CG2 4.34Å
304	A	28	Very low	37.7	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	73%	0.725	S	S	*	*			trans	-134.6	121.8	152	0	0	0	0	0	105.7
305	V	33.6	Very low	36.5	Very low	135 Å²	135	130 Å²	130	82%	0.818	74%	0.742	S	S	*	*				83.9	106	52.7	177.4	0	0	0	0	112.5	V303	V303-V305 HydrophobicContact CG1-CG2 4.34Å
306	G	25.5	Very low	35	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	76%	0.755	S	S	*	*			trans	-147	155	165.4	0	0	0	0	0	108
307	H	28.8	Very low	34	Very low	193 Å²	193	130.6 Å²	130.6	89%	0.894	77%	0.768	S	S	*	*			trans	-133.3	134.8	-156.1	-160.2	79.8	0	0	0	112.8
308	G	27.5	Very low	32.8	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	77%	0.769	S	S	*	*			trans	-171.1	66.2	-170.8	0	0	0	0	0	118
309	Q	29.4	Very low	32	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.762	77%	0.767	S	S	*	*			trans	30.8	125.4	147.7	-74.4	-168.5	0.8	0	0	123.8
310	I	26.6	Very low	31.1	Very low	127 Å²	127	133.2 Å²	133.2	65%	0.651	78%	0.781	S	S	*	*				87.5	129	125.5	-67.7	173.3	0	0	0	121.1
311	K	28.6	Very low	30.5	Very low	197 Å²	197	130.6 Å²	130.6	86%	0.857	77%	0.774	S	S	*	*			trans	81.1	127.2	155.1	-86.8	165.6	-168.6	175.4	0	122
312	E	30.1	Very low	30.3	Very low	176 Å²	176	133.1 Å²	133.1	82%	0.822	77%	0.77	S	S	*	*			trans	-68.9	166.7	144.4	-62	-166.2	-171.5	0	0	110.8
313	P	37.6	Very low	29.7	Very low	127 Å²	127	130.8 Å²	130.8	83%	0.825	77%	0.767	S	S	*	*			cis	-140.1	-157.1	19.8	44.3	-24.2	0	0	0	114.4
314	G	28.1	Very low	30.2	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	77%	0.774	S	S	*	*			trans	116.4	126.8	171.9	0	0	0	0	0	111.5
315	Q	26.4	Very low	30.1	Very low	180 Å²	180	131.6 Å²	131.6	84%	0.841	77%	0.773	S	S	*	*			cis	72.7	141	30.8	-159.2	178.5	-25.6	0	0	113.5
316	E	29.6	Very low	29.9	Very low	185 Å²	185	129.9 Å²	129.9	86%	0.864	77%	0.767	S	S	*	*			trans	66.7	156.4	-170.9	-62.1	161.5	-143.5	0	0	113
317	G	29.4	Very low	30.1	Very low	63 Å²	63	131.8 Å²	131.8	65%	0.649	76%	0.759	S	S	*	*			cis	-169.9	136.7	-5.1	0	0	0	0	0	107.9
318	S	27	Very low	30.3	Very low	109 Å²	109	130.1 Å²	130.1	76%	0.762	75%	0.749	S	S	*	*				55.4	98.5	105.1	-117.8	0	0	0	0	113.6
319	T	32.8	Very low	30.5	Very low	111 Å²	111	134.7 Å²	134.7	68%	0.681	75%	0.751	S	S	*	*				67.7	102.7	98	59.3	0	0	0	0	114.1
320	D	29.6	Very low	30.6	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	75%	0.749	S	S	*	*				-152	136.9	128.7	-114.4	-5.6	0	0	0	105.1
321	N	28.4	Very low	30.7	Very low	113 Å²	113	135.9 Å²	135.9	60%	0.604	76%	0.758	S	S	*	*			cis	61.9	135.2	32.6	-63	56.3	0	0	0	111.8
322	D	29.6	Very low	30.6	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	75%	0.749	S	S	*	*			cis	-153	-159.9	-8.6	-125.5	-33.1	0	0	0	110.2
323	D	28.1	Very low	30.7	Very low	144 Å²	144	129.8 Å²	129.8	77%	0.77	75%	0.75	S	S	*	*			trans	67.2	88.9	155.6	-66.1	-30.8	0	0	0	118.4
324	S	49.3	Very low	30.2	Very low	132 Å²	132	131.8 Å²	131.8	92%	0.923	75%	0.752	S	S	*	*			trans	-68.1	124	150	-61.9	0	0	0	0	110.9
325	S	25.3	Very low	30	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	76%	0.758	S	S	*	*			trans	-150.4	147.7	165.5	62.9	0	0	0	0	108.7
326	S	29.7	Very low	30.1	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	75%	0.752	S	S	*	*			cis	-157.9	176.3	-17	-173.3	0	0	0	0	108.5
327	D	30	Very low	29.9	Very low	117 Å²	117	131.8 Å²	131.8	63%	0.626	74%	0.744	S	S	*	*			trans	71.1	125.9	154.8	-77.3	-88.3	0	0	0	121.4
328	K	33.6	Very low	29.7	Very low	158 Å²	158	136.2 Å²	136.2	69%	0.687	75%	0.752	S	S	*	*			trans	77.5	131.8	139.4	-67.8	-178.9	179.4	179.1	0	117.9
329	E	31.7	Very low	29.7	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	76%	0.76	S	S	*	*				58.8	130.2	64.2	-58	179.5	138.1	0	0	110.7
330	E	31	Very low	29.4	Very low	154 Å²	154	138.5 Å²	138.5	72%	0.72	76%	0.756	S	S	*	*			cis	-156.2	157.9	19.3	-146.6	-163.1	136.8	0	0	109.8
331	L	28.4	Very low	29.2	Very low	160 Å²	160	136.9 Å²	136.9	84%	0.838	76%	0.756	S	S	*	*			trans	61.3	160.5	165.5	-58.1	166.4	0	0	0	115.7
332	G	26.7	Very low	29.1	Very low	65 Å²	65	139.9 Å²	139.9	67%	0.67	77%	0.767	S	S	*	*			cis	166.6	144.4	-2.5	0	0	0	0	0	108.8
333	E	31.9	Very low	29	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	77%	0.77	S	S	*	*			trans	-43.2	148.8	-179.7	-54.8	173.2	154.8	0	0	113.5
334	I	27	Very low	29.1	Very low	169 Å²	169	139.3 Å²	139.3	87%	0.867	76%	0.764	S	S	*	*				-161.5	166.4	89.5	-92.5	156.9	0	0	0	112.6
335	W	25.3	Very low	28.1	Very low	215 Å²	215	139 Å²	139	81%	0.814	76%	0.757	S	S	*	*			trans	-122.1	170.8	-157.1	-164.3	-26.7	0	0	0	110.1
336	N	27.1	Very low	28.1	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	76%	0.756	S	S	*	*			trans	81.6	152.3	156.8	-66	-53.7	0	0	0	118.3
337	A	26.1	Very low	28.1	Very low	83 Å²	83	138.5 Å²	138.5	69%	0.686	76%	0.759	S	S	*	*			cis	-164.4	145.6	-17.1	0	0	0	0	0	114.7
338	N	26.2	Very low	28	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	77%	0.773	S	S	*	*			trans	53	111.1	132.9	-164.2	24.8	0	0	0	122.3
339	K	26.8	Very low	27.7	Very low	212 Å²	212	140.8 Å²	140.8	92%	0.922	78%	0.778	S	S	*	*			trans	-175.9	148.9	149.2	-100.4	164	-175.7	178.9	0	107.6
340	G	25.6	Very low	27.5	Very low	57 Å²	57	142 Å²	142	59%	0.588	78%	0.781	S	S	*	*			cis	163.6	147	-10	0	0	0	0	0	111.8
341	S	26.1	Very low	27.3	Very low	120 Å²	120	140.1 Å²	140.1	84%	0.839	78%	0.78	S	S	*	*			trans	61.1	147.3	171.9	45.2	0	0	0	0	117.8
342	Q	26.7	Very low	27.1	Very low	177 Å²	177	137.8 Å²	137.8	83%	0.827	77%	0.768	S	S	*	*			cis	69.3	159.5	32.5	-71.2	-152.6	-13.4	0	0	114.9
343	T	27.7	Very low	27.4	Very low	121 Å²	121	142.6 Å²	142.6	74%	0.742	77%	0.77	S	S	*	*			cis	-125.8	177.4	8.6	65.5	0	0	0	0	110.9
344	E	29.2	Very low	27	Very low	138 Å²	138	140.5 Å²	140.5	65%	0.645	77%	0.765	S	S	*	*			cis	-126.1	-104.7	-3.6	-168.9	-163.2	-107.4	0	0	112.1	T346	E344-T346 WeakPolarHBondContact OE2-CG2 3.3Å; E344-T346 PolarHBondContact OE2-N 3.43Å
345	T	28.4	Very low	26.9	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	75%	0.752	S	S	*	*			cis	-136.2	155	-1	44.6	0	0	0	0	114.2
346	T	25.5	Very low	26.9	Very low	124 Å²	124	131.2 Å²	131.2	76%	0.761	75%	0.748	S	S	*	*			trans	-48.2	143.4	176.7	59.6	0	0	0	0	115.6	E344	E344-T346 WeakPolarHBondContact OE2-CG2 3.3Å; E344-T346 PolarHBondContact OE2-N 3.43Å
347	G	29.6	Very low	26.9	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	75%	0.745	S	S	*	*			cis	135.4	144.4	11.4	0	0	0	0	0	108.6
348	K	28.1	Very low	27.2	Very low	210 Å²	210	133.9 Å²	133.9	91%	0.913	74%	0.743	S	S	*	*			cis	-148.1	149.7	28.7	-61.7	156.9	-175.1	172	0	107
349	S	27.5	Very low	27.8	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	73%	0.732	S	S	*	*			cis	92	107.8	38.3	-170.5	0	0	0	0	116.2
350	K	26.2	Very low	28	Very low	194 Å²	194	125.3 Å²	125.3	84%	0.843	72%	0.721	S	S	*	*			trans	-171.1	120.9	141.2	-102.4	178	179.5	-178.2	0	108.5
351	V	27.8	Very low	28.1	Very low	114 Å²	114	123.5 Å²	123.5	69%	0.691	70%	0.702	S	S	*	*				79.9	128.3	80.3	161	0	0	0	0	111.9
352	N	24.5	Very low	28.4	Very low	111 Å²	111	124.4 Å²	124.4	59%	0.594	70%	0.697	S	S	*	*			cis	-169	152.5	-2.9	-118.5	-15.2	0	0	0	111.8
353	K	31.3	Very low	28.8	Very low	166 Å²	166	122.2 Å²	122.2	72%	0.722	69%	0.691	S	S	*	*			trans	59.2	154	137.2	-65	180	-177.3	-178.7	0	120.1
354	N	23.4	Very low	29	Very low	136 Å²	136	121.2 Å²	121.2	73%	0.727	69%	0.689	S	S	*	*			cis	-164.5	170.2	-3.4	-120.6	10.4	0	0	0	113.1
355	S	24.8	Very low	29.2	Very low	86 Å²	86	122.4 Å²	122.4	60%	0.601	69%	0.694	S	S	*	*			trans	42	124.9	135.4	-146.8	0	0	0	0	119.6
356	S	26.4	Very low	29.2	Very low	102 Å²	102	122.6 Å²	122.6	71%	0.713	69%	0.691	S	S	*	*				53.8	149.4	52.9	96.7	0	0	0	0	113.8
357	Y	27.6	Very low	29.6	Very low	169 Å²	169	124 Å²	124	66%	0.663	69%	0.686	S	S	*	*			cis	-154	-148.1	13.2	67.4	-73.1	0	0	0	111	K233	K233-Y357 PolarHBondContact NZ-O 3.28Å
358	T	32.7	Very low	29.5	Very low	105 Å²	105	127.2 Å²	127.2	64%	0.644	69%	0.685	S	S	*	*			trans	-111.7	133.1	-172.6	50.8	0	0	0	0	116.6
359	G	37.2	Very low	29.3	Very low	58 Å²	58	126.3 Å²	126.3	60%	0.598	68%	0.681	S	S	*	*			trans	90.4	159.2	137.5	0	0	0	0	0	119.9
360	N	31.4	Very low	29.4	Very low	129 Å²	129	129.7 Å²	129.7	69%	0.69	68%	0.684	S	S	*	*			trans	142.7	151.2	146	-75.7	2.6	0	0	0	115.6	E226	E226-N360 VanDerWaalsContact OE1-C 3.25Å; E226-N360 WeakPolarHBondContact OE1-CA 3.42Å
361	G	28	Very low	30.2	Very low	19 Å²	19	126.4 Å²	126.4	20%	0.196	68%	0.682	C	S	.	*			trans	138.6	147.9	143.9	0	0	0	0	0	115.9	E226	E226-G361 PolarHBondContact OE1-N 3Å
362	N	32	Very low	30.1	Very low	139 Å²	139	124.8 Å²	124.8	74%	0.743	69%	0.689	S	S	*	*			cis	-158.1	-174.6	4.7	-77.8	-32.2	0	0	0	109.1
363	L	34.5	Very low	30.2	Very low	132 Å²	132	123 Å²	123	69%	0.691	70%	0.696	S	S	*	*			cis	-126.4	-97.7	-1.9	-168.7	44.2	0	0	0	111.5
364	S	33.6	Very low	30	Very low	100 Å²	100	124.5 Å²	124.5	70%	0.699	71%	0.706	S	S	*	*			cis	-175.4	160.1	-17.3	10.9	0	0	0	0	108
365	Q	32.6	Very low	30.4	Very low	162 Å²	162	124.7 Å²	124.7	76%	0.757	71%	0.712	S	S	*	*			cis	-178.1	137.7	-33.7	-112.9	165.7	-61.9	0	0	109.9
366	D	29	Very low	31.1	Very low	130 Å²	130	126.1 Å²	126.1	70%	0.695	72%	0.719	S	S	*	*				169.7	145.2	121.9	-161.3	27.9	0	0	0	115.2
367	K	34	Very low	31	Very low	155 Å²	155	125.7 Å²	125.7	67%	0.674	72%	0.716	S	S	*	*			trans	50.8	123.8	158.7	-86.1	171.9	-158.4	70.1	0	126.5
368	L	26.4	Very low	31	Very low	140 Å²	140	124.6 Å²	124.6	73%	0.733	72%	0.719	S	S	*	*				114.4	114.5	118.3	-86.5	166.5	0	0	0	122.9
369	K	25.2	Very low	30.8	Very low	192 Å²	192	126.2 Å²	126.2	84%	0.835	72%	0.719	S	S	*	*			trans	81	137.6	146.2	-86.4	175.5	-179.5	-176	0	123.3
370	H	28.5	Very low	30.3	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.856	73%	0.73	S	S	*	*			trans	-100	179.1	169.9	-81.1	-64.3	0	0	0	109.7
371	P	43.4	Very low	30.2	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	74%	0.738	S	S	*	*			cis	-147.1	179.7	24.8	44.9	-25	0	0	0	119.2
372	G	25.6	Very low	30.3	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	77%	0.765	S	S	*	*			trans	80.7	144.5	160.4	0	0	0	0	0	116.3
373	G	27.1	Very low	30.5	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	77%	0.771	S	S	*	*			cis	-179.8	169	-5.9	0	0	0	0	0	111.8
374	E	26.2	Very low	30.2	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	78%	0.782	S	S	*	*			trans	66.4	141.5	167.5	-62.7	-178.7	-171.4	0	0	120.4
375	V	31.4	Very low	30.3	Very low	139 Å²	139	141.1 Å²	141.1	84%	0.842	77%	0.774	S	S	*	*			trans	-153.8	128.5	-178.8	166.8	0	0	0	0	103.7
376	P	40.3	Very low	30.4	Very low	117 Å²	117	143 Å²	143	76%	0.76	78%	0.783	S	S	*	*				-158.3	168.9	95.3	41.3	-21.4	0	0	0	119.6
377	S	24.7	Very low	30.8	Very low	93 Å²	93	143.2 Å²	143.2	65%	0.65	78%	0.784	S	S	*	*			trans	91.8	130.7	138.8	-115.1	0	0	0	0	121.8
378	M	27.4	Very low	30.9	Very low	146 Å²	146	144 Å²	144	72%	0.719	79%	0.788	S	S	*	*			trans	61.4	142.2	141.7	-65.7	164.4	79.4	0	0	118.9
379	E	28.3	Very low	31.6	Very low	139 Å²	139	146.6 Å²	146.6	65%	0.65	80%	0.796	S	S	*	*			cis	-162.2	179.3	-10	-125	164.1	-160.7	0	0	110.4
380	M	27.2	Very low	32.3	Very low	167 Å²	167	145.7 Å²	145.7	82%	0.823	79%	0.792	S	S	*	*			trans	52.2	110.3	156.3	67.1	-154.9	159.5	0	0	122.8
381	D	30.1	Very low	33.4	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	78%	0.782	S	S	*	*			trans	10.3	121.3	151.5	-75.1	-59.7	0	0	0	123
382	S	28.3	Very low	34.3	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	75%	0.754	S	S	*	*				-175.4	127.2	115	-87.8	0	0	0	0	116.3
383	K	37.4	Very low	36.4	Very low	202 Å²	202	138.4 Å²	138.4	88%	0.878	74%	0.736	S	S	*	*			trans	39.8	94.3	149.5	-59.4	174.9	-178.2	169.5	0	119.9
384	L	28.4	Very low	39	Very low	173 Å²	173	135 Å²	135	91%	0.906	70%	0.702	S	S	*	*			trans	-156.8	136.3	142.1	-159.1	51.8	0	0	0	116.3
385	S	35.1	Very low	41.2	Very low	78 Å²	78	130.9 Å²	130.9	55%	0.545	69%	0.694	S	S	.	*			trans	33.7	119.5	153	179.7	0	0	0	0	121.7	N387	S385-N387 PolarHBondContact OG-N 2.83Å
386	Q	33.8	Very low	43.3	Very low	200 Å²	200	127.3 Å²	127.3	94%	0.935	67%	0.669	S	S	*	*				-125.9	110	120	-73.8	-163.3	-6.7	0	0	111
387	N	38.3	Very low	45.2	Very low	135 Å²	135	124 Å²	124	72%	0.722	65%	0.648	S	S	*	*			trans	-121	172.1	169.5	-93.3	-76.6	0	0	0	109	S385	S385-N387 PolarHBondContact OG-N 2.83Å
388	K	35.5	Very low	47.8	Very low	172 Å²	172	122.2 Å²	122.2	75%	0.748	64%	0.644	S	S	*	*			trans	79.9	76.6	160.3	-41.6	178.9	-171.3	173.5	0	117	K390	K388-K390 HydrophobicContact CB-CG 4.24Å; K388-K390 PolarHBondContact O-N 2.96Å
389	E	41.1	Very low	50.1	Low	195 Å²	195	121 Å²	121	91%	0.911	64%	0.635	S	S	*	*				-59.6	121.5	127.5	-80.5	-160.5	132.5	0	0	107	P391	E389-P391 WeakPolarHBondContact O-CD 3.47Å
390	K	40.8	Very low	52.6	Low	173 Å²	173	118.3 Å²	118.3	75%	0.752	64%	0.636	S	S	*	*			trans	-85.4	122.6	-171.6	-66.5	174.2	-176.3	171.9	0	109.5	K388 T392	K388-K390 HydrophobicContact CB-CG 4.24Å; K388-K390 PolarHBondContact O-N 2.96Å; K390-T392 PolarHBondContact O-N 3.45Å; K390-T392 VanDerWaalsContact O-N 3.09Å
391	P	51.3	Low	55	Low	98 Å²	98	112.8 Å²	112.8	64%	0.636	61%	0.608	S	S	*	*			trans	-61.9	115.6	175.3	-20.7	32.1	0	0	0	110.4	E389 H393	E389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-H393 PolarHBondContact O-N 3.38Å; P391-H393 PolarHBondContact O-ND1 3.47Å
392	T	62.9	Low	56.9	Low	35 Å²	35	116.7 Å²	116.7	22%	0.215	61%	0.611	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	64.7	171.5	41.7	0	0	0	0	110.6	K390 F401 Y404 L407	K390-T392 PolarHBondContact O-N 3.45Å; K390-T392 VanDerWaalsContact O-N 3.09Å; T392-F401 PolarHBondContact O-N 2.86Å; T392-F401 PolarHBondContact OG1-O 3.07Å; T392-Y404 HydrophobicContact CG2-CD2 4.37Å; T392-L407 HydrophobicContact CG2-CD2 4.25Å
393	H	68.3	Low	59.2	Low	103 Å²	103	114.5 Å²	114.5	48%	0.477	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.4	148.4	172.5	68.1	-74.8	0	0	0	110.8	P391 K399	P391-H393 PolarHBondContact O-N 3.38Å; P391-H393 PolarHBondContact O-ND1 3.47Å; H393-K399 CarbonylContact C-O 3.22Å; H393-K399 WeakPolarHBondContact CA-O 3.41Å
394	C	83.1	Confident	60.9	Low	2 Å²	2	112.8 Å²	112.8	1%	0.014	58%	0.582	C	S	.	*			trans	-81.8	118	171	-173.7	0	0	0	0	110.1	E396 C397 G398 K399 F401 L407 H414	C394-E396 PolarHBondContact O-N 2.99Å; C394-C397 PolarHBondContact O-N 3.15Å; C394-G398 WeakPolarHBondContact O-CA 3.35Å; C394-G398 PolarHBondContact O-N 2.75Å; C394-K399 PolarHBondContact N-O 3.42Å; C394-F401 HydrophobicContact CB-CE2 4.24Å; C394-L407 HydrophobicContact CB-CD1 3.72Å; C394-H414 VanDerWaalsContact SG-CD2 3.55Å
395	S	72.3	Confident	62.8	Low	111 Å²	111	110.6 Å²	110.6	78%	0.776	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-12.7	176	52.3	0	0	0	0	114.3
396	E	74.3	Confident	64.7	Low	64 Å²	64	111.1 Å²	111.1	30%	0.299	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-14.1	-175.7	-51.5	-170.6	-112.7	0	0	113.1	C394 H414 R418	C394-E396 PolarHBondContact O-N 2.99Å; E396-H414 HydrophobicContact CB-CB 4.2Å; E396-H414 VanDerWaalsContact CD-CB 3.44Å; E396-H414 HydrophobicContact CG-CB 4.42Å; E396-H414 WeakPolarHBondContact OE1-CB 3.39Å; E396-H414 WeakPolarHBondContact OE2-CB 3.46Å; E396-R418 IonicContact OE2-CZ 3.13Å; E396-R418 IonicContact OE2-NE 3.55Å; E396-R418 PolarHBondContact OE2-NE 3.32Å; E396-R418 IonicContact OE2-NH2 3.18Å; E396-R418 PolarHBondContact OE2-NH2 3.49Å
397	C	81.3	Confident	67.2	Low	48 Å²	48	102.7 Å²	102.7	32%	0.324	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	20.1	178.6	76.3	0	0	0	0	115.3	C394 K399 H410 H414	C394-C397 PolarHBondContact O-N 3.15Å; C397-K399 PolarHBondContact O-N 3.28Å; C397-K399 VanDerWaalsContact SG-CD 3.59Å; C397-H410 PolarHBondContact SG-NE2 3.21Å; C397-H414 PolarHBondContact SG-NE2 2.82Å
398	G	77.7	Confident	69.2	Low	56 Å²	56	98 Å²	98	58%	0.577	50%	0.498	S	S	*	.			trans	69.1	-17	176.2	0	0	0	0	0	117.3	C394 A400	C394-G398 WeakPolarHBondContact O-CA 3.35Å; C394-G398 PolarHBondContact O-N 2.75Å; G398-A400 PolarHBondContact O-N 2.8Å
399	K	76.4	Confident	71.3	Confident	120 Å²	120	94.1 Å²	94.1	52%	0.522	49%	0.485	S	S	.	.			trans	-58.6	119.4	-171.2	-70.7	173	-169.7	164	0	112	H393 C394 C397 F401	H393-K399 CarbonylContact C-O 3.22Å; H393-K399 WeakPolarHBondContact CA-O 3.41Å; C394-K399 PolarHBondContact N-O 3.42Å; C397-K399 PolarHBondContact O-N 3.28Å; C397-K399 VanDerWaalsContact SG-CD 3.59Å; K399-F401 HydrophobicContact CB-CE2 3.75Å; K399-F401 HydrophobicContact CB-CZ 3.87Å; K399-F401 VanDerWaalsContact O-CD2 3.27Å; K399-F401 WeakPolarHBondContact O-CD2 3.49Å; K399-F401 WeakPolarHBondContact O-CE2 3.38Å
400	A	81.3	Confident	73.1	Confident	82 Å²	82	86.2 Å²	86.2	68%	0.678	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.3	176.4	0	0	0	0	0	111.3	G398	G398-A400 PolarHBondContact O-N 2.8Å
401	F	78	Confident	74.5	Confident	52 Å²	52	79.7 Å²	79.7	23%	0.228	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	154	176.4	-64.7	-80.8	0	0	0	110.6	T392 C394 K399 T403 Q406 L407 H410	T392-F401 PolarHBondContact O-N 2.86Å; T392-F401 PolarHBondContact OG1-O 3.07Å; C394-F401 HydrophobicContact CB-CE2 4.24Å; K399-F401 HydrophobicContact CB-CE2 3.75Å; K399-F401 HydrophobicContact CB-CZ 3.87Å; K399-F401 VanDerWaalsContact O-CD2 3.27Å; K399-F401 WeakPolarHBondContact O-CD2 3.49Å; K399-F401 WeakPolarHBondContact O-CE2 3.38Å; F401-T403 VanDerWaalsContact C-N 3.31Å; F401-Q406 HydrophobicContact CB-CB 3.86Å; F401-Q406 HydrophobicContact CD1-CB 3.81Å; F401-Q406 HydrophobicContact CG-CB 4.07Å; F401-L407 HydrophobicContact CB-CB 4.24Å; F401-L407 HydrophobicContact CD2-CB 3.97Å; F401-L407 HydrophobicContact CD2-CD1 4.02Å; F401-L407 HydrophobicContact CE2-CD1 4.36Å; F401-L407 HydrophobicContact CG-CB 4.32Å; F401-H410 HydrophobicContact CE1-CB 4.08Å; F401-H410 HydrophobicContact CE2-CB 3.76Å; F401-H410 AromaticContact CE2-CD2 3.36Å; F401-H410 WeakPolarHBondContact CE2-CD2 3.2Å; F401-H410 AromaticContact CE2-CG 3.63Å; F401-H410 HydrophobicContact CZ-CB 3.5Å; F401-H410 AromaticContact CZ-CD2 3.35Å; F401-H410 WeakPolarHBondContact CZ-CD2 3.24Å; F401-H410 AromaticContact CZ-CG 3.25Å; F401-H410 AromaticContact CZ-ND1 3.88Å; F401-H410 AromaticContact CZ-NE2 4Å
402	R	69.5	Low	76	Confident	241 Å²	241	82.7 Å²	82.7	91%	0.909	42%	0.423	S	S	*	.	S	Bend	trans	-80.4	-12.1	179.7	-70.2	-175.8	174.6	-175.3	-3.2	113.4
403	T	77.6	Confident	76.6	Confident	64 Å²	64	84.2 Å²	84.2	39%	0.393	43%	0.432	S	S	.	.	S	Bend	trans	-144.7	151	176.6	56.9	0	0	0	0	110.8	F401 H405 Q406 L407	F401-T403 VanDerWaalsContact C-N 3.31Å; T403-H405 PolarHBondContact O-N 3.26Å; T403-Q406 PolarHBondContact O-N 3.21Å; T403-Q406 VanDerWaalsContact OG1-CG 3.31Å; T403-Q406 WeakPolarHBondContact OG1-CG 3.37Å; T403-Q406 PolarHBondContact OG1-N 2.72Å; T403-L407 PolarHBondContact O-N 3.27Å
404	Y	71.4	Confident	76.9	Confident	166 Å²	166	80.7 Å²	80.7	65%	0.651	42%	0.416	S	S	*	.	H	α-helix	trans	-58.7	-33.7	172.9	-178.4	-106.8	0	0	0	112.3	T392 Q406 L407 V408	T392-Y404 HydrophobicContact CG2-CD2 4.37Å; Y404-Q406 PolarHBondContact O-N 3.25Å; Y404-L407 HydrophobicContact CD2-CD2 4.35Å; Y404-L407 WeakPolarHBondContact O-CB 3.49Å; Y404-L407 PolarHBondContact O-N 2.89Å; Y404-V408 HydrophobicContact CD1-CG2 3.94Å; Y404-V408 HydrophobicContact CD2-CG2 4.39Å; Y404-V408 HydrophobicContact CE1-CG2 3.49Å; Y404-V408 VanDerWaalsContact CE1-CG2 3.49Å; Y404-V408 HydrophobicContact CE2-CG2 4Å; Y404-V408 HydrophobicContact CG-CG2 4.36Å; Y404-V408 WeakPolarHBondContact O-CG2 3.48Å; Y404-V408 PolarHBondContact O-N 3.31Å
405	H	68.8	Low	76	Confident	128 Å²	128	87.6 Å²	87.6	59%	0.593	45%	0.445	S	S	*	.	H	α-helix	trans	-61.6	-43.7	176.2	-173.4	89	0	0	0	112.6	T403 V408 L409	T403-H405 PolarHBondContact O-N 3.26Å; H405-V408 PolarHBondContact O-N 3.37Å; H405-L409 WeakPolarHBondContact O-CG 3.38Å; H405-L409 PolarHBondContact O-N 2.82Å
406	Q	75.3	Confident	75.3	Confident	88 Å²	88	90.8 Å²	90.8	41%	0.411	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174.7	-74.2	169.2	-4.5	0	0	111.8	F401 T403 Y404 L409 H410	F401-Q406 HydrophobicContact CB-CB 3.86Å; F401-Q406 HydrophobicContact CD1-CB 3.81Å; F401-Q406 HydrophobicContact CG-CB 4.07Å; T403-Q406 PolarHBondContact O-N 3.21Å; T403-Q406 VanDerWaalsContact OG1-CG 3.31Å; T403-Q406 WeakPolarHBondContact OG1-CG 3.37Å; T403-Q406 PolarHBondContact OG1-N 2.72Å; Y404-Q406 PolarHBondContact O-N 3.25Å; Q406-L409 PolarHBondContact O-N 3.19Å; Q406-H410 WeakPolarHBondContact O-CB 3.3Å; Q406-H410 PolarHBondContact O-N 3.15Å
407	L	85.2	Confident	74.2	Confident	24 Å²	24	91 Å²	91	13%	0.126	44%	0.443	C	S	.	.	H	α-helix	trans	-61.2	-42.2	173.3	171.2	59.8	0	0	0	112.1	T392 C394 F401 T403 Y404 H410 S411	T392-L407 HydrophobicContact CG2-CD2 4.25Å; C394-L407 HydrophobicContact CB-CD1 3.72Å; F401-L407 HydrophobicContact CB-CB 4.24Å; F401-L407 HydrophobicContact CD2-CB 3.97Å; F401-L407 HydrophobicContact CD2-CD1 4.02Å; F401-L407 HydrophobicContact CE2-CD1 4.36Å; F401-L407 HydrophobicContact CG-CB 4.32Å; T403-L407 PolarHBondContact O-N 3.27Å; Y404-L407 HydrophobicContact CD2-CD2 4.35Å; Y404-L407 WeakPolarHBondContact O-CB 3.49Å; Y404-L407 PolarHBondContact O-N 2.89Å; L407-H410 CarbonylContact O-C 3.11Å; L407-H410 PolarHBondContact O-N 2.94Å; L407-H410 VanDerWaalsContact O-N 3.15Å; L407-S411 PolarHBondContact O-N 3.34Å; L407-S411 PolarHBondContact O-OG 3.45Å
408	V	80.6	Confident	72.5	Confident	35 Å²	35	96.8 Å²	96.8	21%	0.212	46%	0.459	C	S	.	.	H	α-helix	trans	-70.4	-31.5	178.3	169.5	0	0	0	0	112.7	Y404 H405 H410 S411 R412	Y404-V408 HydrophobicContact CD1-CG2 3.94Å; Y404-V408 HydrophobicContact CD2-CG2 4.39Å; Y404-V408 HydrophobicContact CE1-CG2 3.49Å; Y404-V408 VanDerWaalsContact CE1-CG2 3.49Å; Y404-V408 HydrophobicContact CE2-CG2 4Å; Y404-V408 HydrophobicContact CG-CG2 4.36Å; Y404-V408 WeakPolarHBondContact O-CG2 3.48Å; Y404-V408 PolarHBondContact O-N 3.31Å; H405-V408 PolarHBondContact O-N 3.37Å; V408-H410 VanDerWaalsContact C-N 3.33Å; V408-S411 PolarHBondContact O-OG 2.94Å; V408-R412 WeakPolarHBondContact O-CD 3.5Å; V408-R412 VanDerWaalsContact O-CG 3.31Å; V408-R412 WeakPolarHBondContact O-CG 3.16Å
409	L	79.3	Confident	70.8	Confident	91 Å²	91	103.4 Å²	103.4	48%	0.476	47%	0.466	S	S	.	.	H	α-helix	trans	-69.3	-34.2	168.5	-70.5	179.9	0	0	0	111.6	H405 Q406	H405-L409 WeakPolarHBondContact O-CG 3.38Å; H405-L409 PolarHBondContact O-N 2.82Å; Q406-L409 PolarHBondContact O-N 3.19Å
410	H	80.9	Confident	69.3	Low	30 Å²	30	102.7 Å²	102.7	14%	0.139	47%	0.472	C	S	.	.	H	α-helix	trans	-76.4	-39.4	179.3	-174.1	59.1	0	0	0	113.8	C397 F401 Q406 L407 V408 R412 V413 H414	C397-H410 PolarHBondContact SG-NE2 3.21Å; F401-H410 HydrophobicContact CE1-CB 4.08Å; F401-H410 HydrophobicContact CE2-CB 3.76Å; F401-H410 AromaticContact CE2-CD2 3.36Å; F401-H410 WeakPolarHBondContact CE2-CD2 3.2Å; F401-H410 AromaticContact CE2-CG 3.63Å; F401-H410 HydrophobicContact CZ-CB 3.5Å; F401-H410 AromaticContact CZ-CD2 3.35Å; F401-H410 WeakPolarHBondContact CZ-CD2 3.24Å; F401-H410 AromaticContact CZ-CG 3.25Å; F401-H410 AromaticContact CZ-ND1 3.88Å; F401-H410 AromaticContact CZ-NE2 4Å; Q406-H410 WeakPolarHBondContact O-CB 3.3Å; Q406-H410 PolarHBondContact O-N 3.15Å; L407-H410 CarbonylContact O-C 3.11Å; L407-H410 PolarHBondContact O-N 2.94Å; L407-H410 VanDerWaalsContact O-N 3.15Å; V408-H410 VanDerWaalsContact C-N 3.33Å; H410-R412 PolarHBondContact O-N 3.38Å; H410-V413 WeakPolarHBondContact O-CB 3.42Å; H410-V413 WeakPolarHBondContact O-CG2 3.24Å; H410-V413 PolarHBondContact O-N 2.93Å; H410-H414 AromaticContact CD2-NE2 3.68Å; H410-H414 AromaticContact CE1-NE2 3.69Å; H410-H414 AromaticContact NE2-CD2 3.96Å; H410-H414 AromaticContact NE2-CE1 3.97Å; H410-H414 AromaticContact NE2-NE2 3.07Å; H410-H414 PolarHBondContact NE2-NE2 3.4Å
411	S	69.1	Low	67.3	Low	36 Å²	36	105.3 Å²	105.3	25%	0.252	47%	0.474	S	S	.	.	H	α-helix	trans	-66.1	-19	175.6	62.9	0	0	0	0	113.2	L407 V408 V413 K415	L407-S411 PolarHBondContact O-N 3.34Å; L407-S411 PolarHBondContact O-OG 3.45Å; V408-S411 PolarHBondContact O-OG 2.94Å; S411-V413 PolarHBondContact O-N 3.39Å; S411-K415 VanDerWaalsContact O-CB 3.24Å; S411-K415 WeakPolarHBondContact O-CB 3.38Å; S411-K415 PolarHBondContact O-N 3.21Å
412	R	82.8	Confident	65.6	Low	161 Å²	161	105.8 Å²	105.8	61%	0.608	49%	0.494	S	S	*	.	H	α-helix	trans	-71.2	-11.4	168.1	-69.1	170.4	-174.5	-165.1	0.6	114	V408 H410 R416	V408-R412 WeakPolarHBondContact O-CD 3.5Å; V408-R412 VanDerWaalsContact O-CG 3.31Å; V408-R412 WeakPolarHBondContact O-CG 3.16Å; H410-R412 PolarHBondContact O-N 3.38Å; R412-R416 PolarHBondContact O-N 3.07Å
413	V	76.2	Confident	63.9	Low	66 Å²	66	102.6 Å²	102.6	40%	0.4	49%	0.489	S	S	.	.	H	α-helix	trans	-75.5	-62.1	169	-174.1	0	0	0	0	108.2	H410 S411 K415 R416 D417	H410-V413 WeakPolarHBondContact O-CB 3.42Å; H410-V413 WeakPolarHBondContact O-CG2 3.24Å; H410-V413 PolarHBondContact O-N 2.93Å; S411-V413 PolarHBondContact O-N 3.39Å; V413-K415 PolarHBondContact O-N 2.89Å; V413-K415 VanDerWaalsContact O-N 3.14Å; V413-R416 WeakPolarHBondContact O-CA 3.18Å; V413-R416 VanDerWaalsContact O-CB 3.3Å; V413-R416 WeakPolarHBondContact O-CB 3.48Å; V413-R416 PolarHBondContact O-N 3.21Å; V413-D417 WeakPolarHBondContact CG1-OD2 3.26Å; V413-D417 VanDerWaalsContact O-CG 3.25Å; V413-D417 PolarHBondContact O-N 3.32Å
414	H	74.3	Confident	61.6	Low	30 Å²	30	106.3 Å²	106.3	14%	0.139	51%	0.512	C	S	.	.	H	α-helix	trans	-55.8	-35.8	176.5	-53	-66.7	0	0	0	113.4	C394 E396 C397 H410 R416 D417 R418	C394-H414 VanDerWaalsContact SG-CD2 3.55Å; E396-H414 HydrophobicContact CB-CB 4.2Å; E396-H414 VanDerWaalsContact CD-CB 3.44Å; E396-H414 HydrophobicContact CG-CB 4.42Å; E396-H414 WeakPolarHBondContact OE1-CB 3.39Å; E396-H414 WeakPolarHBondContact OE2-CB 3.46Å; C397-H414 PolarHBondContact SG-NE2 2.82Å; H410-H414 AromaticContact CD2-NE2 3.68Å; H410-H414 AromaticContact CE1-NE2 3.69Å; H410-H414 AromaticContact NE2-CD2 3.96Å; H410-H414 AromaticContact NE2-CE1 3.97Å; H410-H414 AromaticContact NE2-NE2 3.07Å; H410-H414 PolarHBondContact NE2-NE2 3.4Å; H414-R416 VanDerWaalsContact C-N 3.27Å; H414-R416 PolarHBondContact O-N 2.86Å; H414-D417 PolarHBondContact O-N 3.05Å; H414-D417 VanDerWaalsContact O-N 3.16Å; H414-R418 WeakPolarHBondContact O-CB 3.32Å; H414-R418 WeakPolarHBondContact O-CG 3.35Å; H414-R418 PolarHBondContact O-N 2.81Å
415	K	64.5	Low	59.7	Low	146 Å²	146	103.6 Å²	103.6	64%	0.635	52%	0.518	S	S	*	.	H	α-helix	trans	-74.1	-10.3	174.8	-167.4	163.4	-175.5	167.3	0	114.7	S411 V413	S411-K415 VanDerWaalsContact O-CB 3.24Å; S411-K415 WeakPolarHBondContact O-CB 3.38Å; S411-K415 PolarHBondContact O-N 3.21Å; V413-K415 PolarHBondContact O-N 2.89Å; V413-K415 VanDerWaalsContact O-N 3.14Å
416	R	57.1	Low	58	Low	178 Å²	178	102.1 Å²	102.1	67%	0.672	53%	0.528	S	S	*	.	H	α-helix	trans	-84.5	-47.7	160.2	171.8	174.8	-68.9	136.8	5.8	109.7	R412 V413 H414 R418 R419 T420	R412-R416 PolarHBondContact O-N 3.07Å; V413-R416 WeakPolarHBondContact O-CA 3.18Å; V413-R416 VanDerWaalsContact O-CB 3.3Å; V413-R416 WeakPolarHBondContact O-CB 3.48Å; V413-R416 PolarHBondContact O-N 3.21Å; H414-R416 VanDerWaalsContact C-N 3.27Å; H414-R416 PolarHBondContact O-N 2.86Å; R416-R418 PolarHBondContact O-N 3.18Å; R416-R419 WeakPolarHBondContact O-CA 3.35Å; R416-R419 WeakPolarHBondContact O-CB 3.29Å; R416-R419 PolarHBondContact O-N 2.73Å; R416-T420 PolarHBondContact O-OG1 2.73Å
417	D	50.9	Low	55.9	Low	69 Å²	69	102.4 Å²	102.4	37%	0.369	55%	0.545	S	S	.	.	H	α-helix	trans	-61.7	-47.2	-172.6	-52.7	-29.3	0	0	0	110.6	V413 H414 R419 T420	V413-D417 WeakPolarHBondContact CG1-OD2 3.26Å; V413-D417 VanDerWaalsContact O-CG 3.25Å; V413-D417 PolarHBondContact O-N 3.32Å; H414-D417 PolarHBondContact O-N 3.05Å; H414-D417 VanDerWaalsContact O-N 3.16Å; D417-R419 PolarHBondContact O-N 2.87Å; D417-T420 WeakPolarHBondContact O-CA 3.3Å; D417-T420 VanDerWaalsContact O-CB 3.28Å; D417-T420 WeakPolarHBondContact O-CB 3.21Å; D417-T420 PolarHBondContact O-N 3.27Å; D417-T420 PolarHBondContact O-OG1 3.48Å
418	R	46.3	Very low	53.2	Low	170 Å²	170	107.1 Å²	107.1	64%	0.642	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-12.6	171	-69.9	-171.6	-167.7	-125.3	1.6	115.9	E396 H414 R416	E396-R418 IonicContact OE2-CZ 3.13Å; E396-R418 IonicContact OE2-NE 3.55Å; E396-R418 PolarHBondContact OE2-NE 3.32Å; E396-R418 IonicContact OE2-NH2 3.18Å; E396-R418 PolarHBondContact OE2-NH2 3.49Å; H414-R418 WeakPolarHBondContact O-CB 3.32Å; H414-R418 WeakPolarHBondContact O-CG 3.35Å; H414-R418 PolarHBondContact O-N 2.81Å; R416-R418 PolarHBondContact O-N 3.18Å
419	R	41.8	Very low	50.8	Low	195 Å²	195	117.3 Å²	117.3	74%	0.736	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-6.8	172.5	-75.5	-177.3	171.9	-98.2	0.4	112.8	R416 D417	R416-R419 WeakPolarHBondContact O-CA 3.35Å; R416-R419 WeakPolarHBondContact O-CB 3.29Å; R416-R419 PolarHBondContact O-N 2.73Å; D417-R419 PolarHBondContact O-N 2.87Å
420	T	44	Very low	48.2	Very low	104 Å²	104	119.3 Å²	119.3	64%	0.638	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-28	174.7	-20	0	0	0	0	111.3	R416 D417	R416-T420 PolarHBondContact O-OG1 2.73Å; D417-T420 WeakPolarHBondContact O-CA 3.3Å; D417-T420 VanDerWaalsContact O-CB 3.28Å; D417-T420 WeakPolarHBondContact O-CB 3.21Å; D417-T420 PolarHBondContact O-N 3.27Å; D417-T420 PolarHBondContact O-OG1 3.48Å
421	D	38.9	Very low	45.7	Very low	137 Å²	137	123.1 Å²	123.1	73%	0.733	66%	0.66	S	S	*	*	S	Bend	trans	-92.4	-0.2	-173.5	-45.8	-46.7	0	0	0	113.8
422	G	43.8	Very low	43.7	Very low	62 Å²	62	126.9 Å²	126.9	64%	0.639	69%	0.685	S	S	*	*	S	Bend	trans	-106.3	-13	-174.3	0	0	0	0	0	116.2
423	E	32.7	Very low	41	Very low	174 Å²	174	123.8 Å²	123.8	81%	0.813	69%	0.693	S	S	*	*			trans	-140	78.5	-174.6	-71	-178.4	165.4	0	0	111.8
424	T	30.9	Very low	38.5	Very low	143 Å²	143	128.1 Å²	128.1	88%	0.877	71%	0.714	S	S	*	*			trans	-71.4	140.1	143.5	19.2	0	0	0	0	108
425	S	30.8	Very low	36.4	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	75%	0.746	S	S	*	*			cis	-153.2	175.1	20.7	-160.3	0	0	0	0	114
426	A	32.1	Very low	34.6	Very low	97 Å²	97	134.7 Å²	134.7	80%	0.802	75%	0.754	S	S	*	*			trans	69	66.3	151.8	0	0	0	0	0	120.6
427	A	32.1	Very low	33.2	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	75%	0.754	S	S	*	*	S	Bend	trans	-157.6	146.1	134.8	0	0	0	0	0	112.6
428	S	28.1	Very low	32	Very low	122 Å²	122	131.5 Å²	131.5	85%	0.853	76%	0.759	S	S	*	*			trans	60.6	83.5	164.5	-54.7	0	0	0	0	118.8
429	R	30.4	Very low	31.3	Very low	249 Å²	249	125.7 Å²	125.7	94%	0.94	74%	0.741	S	S	*	*			trans	-124.5	85.9	159.6	-81.2	-166.2	-178.8	-174.7	3	112.4
430	T	25.5	Very low	30.7	Very low	134 Å²	134	120.6 Å²	120.6	82%	0.822	73%	0.728	S	S	*	*			trans	-171.4	134.9	165.2	31	0	0	0	0	107.4
431	C	27	Very low	30.2	Very low	110 Å²	110	120.8 Å²	120.8	74%	0.743	72%	0.722	S	S	*	*			cis	-142.2	174.3	-11.2	-74.4	0	0	0	0	107.3
432	C	27.2	Very low	29.8	Very low	115 Å²	115	119.1 Å²	119.1	78%	0.777	71%	0.713	S	S	*	*			cis	-135.9	172.2	6.9	-41.7	0	0	0	0	110.3
433	A	26.6	Very low	29.1	Very low	96 Å²	96	119.3 Å²	119.3	79%	0.793	72%	0.715	S	S	*	*			trans	-136	129.4	151.3	0	0	0	0	0	108.4
434	D	23.7	Very low	28.9	Very low	157 Å²	157	116 Å²	116	84%	0.84	72%	0.717	S	S	*	*			trans	-89.8	110.5	-178.1	-60.5	-51.7	0	0	0	110.6
435	I	29.7	Very low	28.9	Very low	156 Å²	156	115.5 Å²	115.5	80%	0.8	71%	0.714	S	S	*	*			trans	-136.2	140.5	163	-66.2	-172.6	0	0	0	110
436	I	27.3	Very low	28.7	Very low	158 Å²	158	116.2 Å²	116.2	81%	0.81	71%	0.705	S	S	*	*			trans	-80.1	138.6	178.3	-59.9	160.6	0	0	0	109.7
437	V	26.8	Very low	28.7	Very low	109 Å²	109	121 Å²	121	66%	0.661	70%	0.702	S	S	*	*			trans	-133.2	150.9	171.9	177	0	0	0	0	113
438	S	26.9	Very low	28.5	Very low	70 Å²	70	122.9 Å²	122.9	49%	0.49	70%	0.697	S	S	.	*			trans	-169.7	147.2	-171.4	-72.1	0	0	0	0	107.7
439	L	32	Very low	28.7	Very low	48 Å²	48	125.3 Å²	125.3	25%	0.251	70%	0.695	S	S	.	*			cis	-161.8	105.4	4.9	-139	73.1	0	0	0	108	L840 K841 F842	L439-L840 HydrophobicContact CB-CD2 4.35Å; L439-L840 CarbonylContact O-C 3.03Å; L439-L840 WeakPolarHBondContact O-CD2 3.41Å; L439-K841 CarbonylContact C-O 3.4Å; L439-K841 HydrophobicContact CD2-CB 4.41Å; L439-K841 HydrophobicContact CD2-CD 4.37Å; L439-K841 HydrophobicContact CD2-CG 4.07Å; L439-K841 CarbonylContact O-C 3.59Å; L439-K841 WeakPolarHBondContact O-CA 3.24Å; L439-K841 PolarHBondContact O-N 3.25Å; L439-K841 VanDerWaalsContact O-O 3.05Å; L439-F842 HydrophobicContact CB-CG 4.43Å; L439-F842 HydrophobicContact CD1-CB 4.32Å; L439-F842 HydrophobicContact CD1-CD1 4.47Å; L439-F842 HydrophobicContact CD1-CD2 3.15Å; L439-F842 HydrophobicContact CD1-CE2 3.4Å; L439-F842 HydrophobicContact CD1-CG 3.73Å; L439-F842 HydrophobicContact CD1-CZ 4.15Å; L439-F842 HydrophobicContact CG-CB 3.91Å; L439-F842 HydrophobicContact CG-CD1 4.44Å; L439-F842 HydrophobicContact CG-CD2 3.7Å; L439-F842 HydrophobicContact CG-CE2 4.31Å; L439-F842 HydrophobicContact CG-CG 3.73Å
440	D	29.2	Very low	28.7	Very low	88 Å²	88	116.9 Å²	116.9	47%	0.471	69%	0.685	S	S	.	*			trans	-137	146.3	-155.3	-9.8	81.4	0	0	0	114.6	K841 F842 H843	D440-K841 CarbonylContact C-O 3.08Å; D440-K841 VanDerWaalsContact C-O 3.22Å; D440-K841 VanDerWaalsContact CA-O 3.29Å; D440-K841 WeakPolarHBondContact CA-O 3.06Å; D440-K841 PolarHBondContact N-O 3.4Å; D440-F842 VanDerWaalsContact N-CD1 3.27Å; D440-F842 CarbonylContact O-C 3.4Å; D440-F842 VanDerWaalsContact O-CA 3.25Å; D440-F842 WeakPolarHBondContact O-CA 3.21Å; D440-F842 VanDerWaalsContact OD1-CE1 3.3Å; D440-F842 WeakPolarHBondContact OD1-CE1 3.19Å; D440-H843 CarbonylContact O-C 3.58Å; D440-H843 WeakPolarHBondContact O-CA 3.29Å; D440-H843 PolarHBondContact O-N 2.87Å
441	E	33.3	Very low	28.9	Very low	109 Å²	109	114.4 Å²	114.4	51%	0.509	69%	0.686	S	S	.	*			trans	-100.7	168.9	-151.2	-89.5	-52.6	-27.7	0	0	123	K841 H843	E441-K841 VanDerWaalsContact CG-O 3.25Å; E441-K841 WeakPolarHBondContact CG-O 3.41Å; E441-H843 CarbonylContact C-O 3.53Å
442	N	30.4	Very low	29.2	Very low	102 Å²	102	113.9 Å²	113.9	55%	0.545	68%	0.684	S	S	.	*			trans	-61.2	175.4	173.9	-61.4	-86.4	0	0	0	115.6	H843	N442-H843 VanDerWaalsContact ND2-CB 3.28Å; N442-H843 WeakPolarHBondContact ND2-CB 3.48Å; N442-H843 WeakPolarHBondContact OD1-CB 3.5Å; N442-H843 PolarHBondContact OD1-CD2 3.31Å
443	G	28.5	Very low	29.5	Very low	66 Å²	66	116.2 Å²	116.2	68%	0.68	68%	0.683	S	S	*	*			cis	159.4	175.1	-5.9	0	0	0	0	0	114.1
444	A	28.6	Very low	29.6	Very low	104 Å²	104	119.6 Å²	119.6	86%	0.86	69%	0.688	S	S	*	*			trans	76.6	171.6	170.1	0	0	0	0	0	116.2
445	V	30	Very low	30.1	Very low	133 Å²	133	114.2 Å²	114.2	81%	0.806	67%	0.67	S	S	*	*			cis	-177.4	148	-7.1	109.3	0	0	0	0	107.6
446	E	27.4	Very low	30.2	Very low	124 Å²	124	112.8 Å²	112.8	58%	0.579	67%	0.674	S	S	*	*			cis	-144.5	-175.6	-8.2	-43.8	-176.8	50.1	0	0	110.6
447	R	32	Very low	30.3	Very low	196 Å²	196	113.8 Å²	113.8	74%	0.74	68%	0.675	S	S	*	*			trans	71.8	154.2	151.1	-79.8	178.9	-160	100	19.2	119
448	M	27.9	Very low	30.4	Very low	135 Å²	135	116.5 Å²	116.5	67%	0.665	69%	0.686	S	S	*	*			cis	-156	149.1	-4.1	-176.7	74.9	176.2	0	0	109.6
449	E	32.3	Very low	30.5	Very low	173 Å²	173	116.9 Å²	116.9	81%	0.808	70%	0.701	S	S	*	*			trans	55.8	160	162.2	-79.2	157.5	164.9	0	0	119.7
450	G	31.3	Very low	30.3	Very low	72 Å²	72	121.8 Å²	121.8	74%	0.742	73%	0.726	S	S	*	*			cis	167.3	132.2	-10	0	0	0	0	0	112.7
451	G	29.3	Very low	30.8	Very low	81 Å²	81	123.1 Å²	123.1	84%	0.835	74%	0.74	S	S	*	*			trans	75.9	166.3	178.9	0	0	0	0	0	115.4
452	S	33	Very low	30.8	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	75%	0.749	S	S	*	*			cis	-158.2	-168.2	-10.6	-148.5	0	0	0	0	112
453	E	32.8	Very low	30.8	Very low	164 Å²	164	125.8 Å²	125.8	77%	0.766	76%	0.757	S	S	*	*			trans	-43.4	168.7	170.4	70.9	-116.8	108.7	0	0	116.3
454	D	29.1	Very low	31	Very low	167 Å²	167	130.4 Å²	130.4	89%	0.893	77%	0.766	S	S	*	*			cis	-149.8	-175.6	-13.1	-136	-24	0	0	0	105
455	G	34.4	Very low	31.3	Very low	45 Å²	45	132.6 Å²	132.6	46%	0.464	76%	0.763	S	S	.	*			cis	136.4	111.2	16.6	0	0	0	0	0	109.4
456	S	32	Very low	31.4	Very low	126 Å²	126	134.5 Å²	134.5	88%	0.881	77%	0.767	S	S	*	*			trans	62.2	170.6	175.5	63.5	0	0	0	0	116.1
457	E	28.3	Very low	31.7	Very low	179 Å²	179	135 Å²	135	84%	0.836	77%	0.774	S	S	*	*			cis	-142.5	179.4	14	66.7	-170	152.8	0	0	114.6
458	D	29.3	Very low	31.8	Very low	166 Å²	166	135.3 Å²	135.3	89%	0.888	78%	0.781	S	S	*	*			trans	-77.5	164.3	-165.9	-60.5	-90.6	0	0	0	116.3
459	G	29.3	Very low	32	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	78%	0.783	S	S	*	*			trans	174.1	94.1	167.7	0	0	0	0	0	116.4
460	L	27.5	Very low	32	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	78%	0.78	S	S	*	*			trans	-142	125.9	165.2	-168	145.4	0	0	0	110.9	E462	L460-E462 HydrophobicContact CD2-CG 4.09Å
461	P	39.8	Very low	32.1	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	79%	0.786	S	S	*	*			trans	-130.1	131.4	139.8	32.9	-21	0	0	0	110.1
462	E	34	Very low	32.5	Very low	150 Å²	150	138.5 Å²	138.5	70%	0.701	78%	0.783	S	S	*	*				88.9	119	55.4	-85.1	-148.8	106.4	0	0	115.5	L460	L460-E462 HydrophobicContact CD2-CG 4.09Å
463	T	30.6	Very low	32.6	Very low	117 Å²	117	140.4 Å²	140.4	72%	0.718	78%	0.784	S	S	*	*			trans	67.8	153.6	160	69.9	0	0	0	0	117
464	L	31.2	Very low	33	Very low	163 Å²	163	139.3 Å²	139.3	85%	0.853	78%	0.779	S	S	*	*			cis	-136.9	170.2	30.3	-75.6	161	0	0	0	114.1
465	N	34.8	Very low	33.6	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	77%	0.773	S	S	*	*			trans	-97.1	155.4	179.6	-56.9	-74.7	0	0	0	113
466	L	33.1	Very low	33.6	Very low	173 Å²	173	143.5 Å²	143.5	91%	0.906	79%	0.789	S	S	*	*			trans	-158.9	135.4	143.2	-151.6	68.7	0	0	0	112.9
467	D	33.2	Very low	33.9	Very low	136 Å²	136	147.5 Å²	147.5	73%	0.727	79%	0.79	S	S	*	*			trans	-81.2	151.6	175.8	-51.1	-95.7	0	0	0	113.6
468	K	35.1	Very low	34.7	Very low	201 Å²	201	145.1 Å²	145.1	87%	0.874	79%	0.788	S	S	*	*				179.2	163	112.3	-96.2	159.2	-173.4	174.9	0	114.8
469	N	31.2	Very low	35.4	Very low	133 Å²	133	146.3 Å²	146.3	71%	0.711	79%	0.785	S	S	*	*			trans	-67	166	-177.1	-39.4	-17.5	0	0	0	114.4
470	E	31.8	Very low	35.8	Very low	161 Å²	161	150.2 Å²	150.2	75%	0.752	79%	0.788	S	S	*	*				175.9	173.7	100.3	-86	-52.9	129.5	0	0	110
471	D	34.6	Very low	36.9	Very low	161 Å²	161	150.4 Å²	150.4	86%	0.861	79%	0.789	S	S	*	*			trans	-76.1	155.3	-166.3	-92.3	-56.5	0	0	0	117.8
472	G	36.5	Very low	37.3	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	79%	0.788	S	S	*	*			trans	111.2	112.1	141.8	0	0	0	0	0	119.2
473	L	35.8	Very low	38.7	Very low	139 Å²	139	144.9 Å²	144.9	73%	0.728	79%	0.785	S	S	*	*				176.8	125.8	116.6	-174	62.9	0	0	0	111.4
474	E	42.4	Very low	40.3	Very low	140 Å²	140	142.6 Å²	142.6	65%	0.654	77%	0.774	S	S	*	*			trans	-93.5	112.6	179.8	65.9	-61.4	91.3	0	0	113.4
475	R	40.7	Very low	42.6	Very low	205 Å²	205	141 Å²	141	77%	0.774	76%	0.757	S	S	*	*			trans	-166.1	73.7	161.3	-116.3	148.2	-72.5	174.4	-2.3	116.4
476	A	34.9	Very low	45.3	Very low	96 Å²	96	138.6 Å²	138.6	79%	0.793	74%	0.741	S	S	*	*			trans	-144	34.1	166.7	0	0	0	0	0	114.7	V478	A476-V478 PolarHBondContact O-N 2.9Å
477	K	38.4	Very low	48.2	Very low	209 Å²	209	130.4 Å²	130.4	91%	0.909	70%	0.698	S	S	*	*			trans	-63.4	107.1	171.9	-91	179.2	177.5	167.8	0	110.1	K479	K477-K479 PolarHBondContact O-N 3.26Å
478	V	43.6	Very low	50.8	Low	129 Å²	129	128.9 Å²	128.9	78%	0.782	70%	0.698	S	S	*	*			trans	-51.6	129.4	174.5	-179.9	0	0	0	0	109.5	A476 N480	A476-V478 PolarHBondContact O-N 2.9Å; V478-N480 PolarHBondContact O-N 3.03Å; V478-N480 PolarHBondContact O-ND2 3.49Å
479	K	44.1	Very low	53.2	Low	192 Å²	192	126.4 Å²	126.4	84%	0.835	68%	0.684	S	S	*	*			trans	-62.8	110.1	-171.3	-69.6	173	-178.4	169.4	0	109.8	K477 L481	K477-K479 PolarHBondContact O-N 3.26Å; K479-L481 PolarHBondContact O-N 3.13Å
480	N	37.9	Very low	56	Low	160 Å²	160	122.8 Å²	122.8	86%	0.856	67%	0.668	S	S	*	*			trans	-63.2	103.7	-178.8	-93.1	-111.5	0	0	0	110.5	V478 G482	V478-N480 PolarHBondContact O-N 3.03Å; V478-N480 PolarHBondContact O-ND2 3.49Å; N480-G482 PolarHBondContact O-N 3.21Å
481	L	50.6	Low	58.6	Low	154 Å²	154	116.7 Å²	116.7	81%	0.806	65%	0.649	S	S	*	*			trans	-69.5	117.8	164.4	-76.8	164.5	0	0	0	108	K479 A483	K479-L481 PolarHBondContact O-N 3.13Å; L481-A483 PolarHBondContact O-N 3.18Å
482	G	49.3	Very low	61.3	Low	72 Å²	72	115 Å²	115	74%	0.742	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	123.2	-163.2	0	0	0	0	0	114.9	N480 S484	N480-G482 PolarHBondContact O-N 3.21Å; G482-S484 PolarHBondContact O-N 3.33Å
483	A	62.2	Low	63.9	Low	79 Å²	79	118.6 Å²	118.6	65%	0.653	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.4	47.2	165.3	0	0	0	0	0	115.8	L481	L481-A483 PolarHBondContact O-N 3.18Å
484	S	64.1	Low	66.5	Low	69 Å²	69	114 Å²	114	48%	0.483	60%	0.6	S	S	.	*			trans	-54	138.4	155.2	47.9	0	0	0	0	109.8	G482 F494	G482-S484 PolarHBondContact O-N 3.33Å; S484-F494 WeakPolarHBondContact CA-O 3.36Å
485	R	80	Confident	68.7	Low	129 Å²	129	118.1 Å²	118.1	49%	0.487	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	125.8	176	-65.9	-176.6	173.9	-104.1	-5.2	109.8	F494 N497 L500	R485-F494 PolarHBondContact N-O 2.9Å; R485-F494 PolarHBondContact O-N 3.18Å; R485-N497 WeakPolarHBondContact CD-OD1 3.27Å; R485-L500 HydrophobicContact CB-CD2 3.67Å
486	E	92.7	Very high	71	Confident	99 Å²	99	110.2 Å²	110.2	46%	0.463	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	150.6	-176.1	-157.9	177.9	137.6	0	0	112	K492 Y493 L500	E486-K492 CarbonylContact C-O 3.32Å; E486-Y493 HydrophobicContact CB-CD1 3.87Å; E486-Y493 HydrophobicContact CB-CE1 3.62Å; E486-Y493 VanDerWaalsContact CD-OH 3.27Å; E486-Y493 HydrophobicContact CG-CD1 3.93Å; E486-Y493 HydrophobicContact CG-CE1 3.5Å; E486-Y493 VanDerWaalsContact CG-CE1 3.5Å; E486-Y493 WeakPolarHBondContact OE2-CE1 3.35Å; E486-Y493 PolarHBondContact OE2-OH 3.22Å; E486-L500 WeakPolarHBondContact O-CD2 3.46Å
487	C	92.9	Very high	73.6	Confident	0 Å²	0	109.9 Å²	109.9	0%	0	57%	0.57	C	S	.	*			trans	-91.1	115.3	170.3	-175.9	0	0	0	0	111.4	Y489 C490 G491 K492 F494 L500 H503 H507	C487-Y489 PolarHBondContact O-N 3.49Å; C487-C490 PolarHBondContact O-N 3.41Å; C487-C490 VanDerWaalsContact O-N 3.11Å; C487-G491 PolarHBondContact O-N 3.38Å; C487-K492 PolarHBondContact N-O 2.96Å; C487-F494 HydrophobicContact CB-CE2 4.1Å; C487-L500 HydrophobicContact CB-CD1 3.79Å; C487-H503 PolarHBondContact SG-CD2 2.91Å; C487-H503 PolarHBondContact SG-NE2 3.16Å; C487-H503 VanDerWaalsContact SG-NE2 3.37Å; C487-H507 PolarHBondContact SG-NE2 3.26Å
488	S	88	Confident	76	Confident	105 Å²	105	107.5 Å²	107.5	73%	0.734	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-15.7	179.5	55.8	0	0	0	0	115.5
489	Y	84.9	Confident	78.1	Confident	149 Å²	149	107.7 Å²	107.7	58%	0.584	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-15.1	-179.1	-64.8	-78.7	0	0	0	114.2	C487 L504 H507	C487-Y489 PolarHBondContact O-N 3.49Å; Y489-L504 HydrophobicContact CD2-CD2 3.75Å; Y489-L504 HydrophobicContact CE2-CD2 3.97Å; Y489-H507 HydrophobicContact CD2-CB 3.95Å; Y489-H507 HydrophobicContact CE2-CB 4.47Å; Y489-H507 HydrophobicContact CG-CB 4.01Å; Y489-H507 AromaticContact CG-CG 3.94Å
490	C	90.6	Very high	80.5	Confident	56 Å²	56	99.2 Å²	99.2	38%	0.378	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.6	15.9	-176.3	68.5	0	0	0	0	116.3	C487 K492 H503 H507	C487-C490 PolarHBondContact O-N 3.41Å; C487-C490 VanDerWaalsContact O-N 3.11Å; C490-K492 PolarHBondContact O-N 3.16Å; C490-H503 PolarHBondContact SG-NE2 3.38Å; C490-H507 PolarHBondContact SG-NE2 2.83Å; C490-H507 VanDerWaalsContact SG-NE2 3.35Å
491	G	87.3	Confident	82.9	Confident	33 Å²	33	95.4 Å²	95.4	34%	0.34	49%	0.488	S	S	.	.			trans	67.2	1.6	174.7	0	0	0	0	0	116.1	C487 Y493	C487-G491 PolarHBondContact O-N 3.38Å; G491-Y493 PolarHBondContact O-N 2.73Å
492	K	89.5	Confident	84.8	Confident	127 Å²	127	89.1 Å²	89.1	55%	0.552	46%	0.455	S	S	*	.			trans	-71.1	126.7	-176.5	-70.4	-172.9	179.4	-170.9	0	111.2	E486 C487 C490 F494	E486-K492 CarbonylContact C-O 3.32Å; C487-K492 PolarHBondContact N-O 2.96Å; C490-K492 PolarHBondContact O-N 3.16Å; K492-F494 HydrophobicContact CB-CE2 3.63Å; K492-F494 HydrophobicContact CB-CZ 3.91Å; K492-F494 VanDerWaalsContact O-CD2 3.22Å; K492-F494 WeakPolarHBondContact O-CD2 3.44Å; K492-F494 WeakPolarHBondContact O-CE2 3.24Å
493	Y	91.2	Very high	86.6	Confident	148 Å²	148	87 Å²	87	58%	0.58	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	132	178.2	-65.8	-74.4	0	0	0	112.4	E486 G491	E486-Y493 HydrophobicContact CB-CD1 3.87Å; E486-Y493 HydrophobicContact CB-CE1 3.62Å; E486-Y493 VanDerWaalsContact CD-OH 3.27Å; E486-Y493 HydrophobicContact CG-CD1 3.93Å; E486-Y493 HydrophobicContact CG-CE1 3.5Å; E486-Y493 VanDerWaalsContact CG-CE1 3.5Å; E486-Y493 WeakPolarHBondContact OE2-CE1 3.35Å; E486-Y493 PolarHBondContact OE2-OH 3.22Å; G491-Y493 PolarHBondContact O-N 2.73Å
494	F	92.1	Very high	87.9	Confident	43 Å²	43	85.7 Å²	85.7	19%	0.189	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.3	179.6	-65.9	-85.8	0	0	0	112	S484 R485 C487 K492 S496 L500 H503	S484-F494 WeakPolarHBondContact CA-O 3.36Å; R485-F494 PolarHBondContact N-O 2.9Å; R485-F494 PolarHBondContact O-N 3.18Å; C487-F494 HydrophobicContact CB-CE2 4.1Å; K492-F494 HydrophobicContact CB-CE2 3.63Å; K492-F494 HydrophobicContact CB-CZ 3.91Å; K492-F494 VanDerWaalsContact O-CD2 3.22Å; K492-F494 WeakPolarHBondContact O-CD2 3.44Å; K492-F494 WeakPolarHBondContact O-CE2 3.24Å; F494-S496 PolarHBondContact O-N 2.89Å; F494-L500 HydrophobicContact CB-CB 4.08Å; F494-L500 HydrophobicContact CD2-CB 4.18Å; F494-L500 HydrophobicContact CD2-CD1 3.88Å; F494-L500 HydrophobicContact CE2-CD1 4.29Å; F494-L500 HydrophobicContact CG-CB 4.24Å; F494-H503 HydrophobicContact CE1-CB 3.86Å; F494-H503 HydrophobicContact CE2-CB 3.99Å; F494-H503 AromaticContact CE2-CD2 3.18Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.36Å; F494-H503 AromaticContact CE2-CG 3.7Å; F494-H503 AromaticContact CE2-NE2 4Å; F494-H503 HydrophobicContact CZ-CB 3.52Å; F494-H503 AromaticContact CZ-CD2 3.22Å; F494-H503 WeakPolarHBondContact CZ-CD2 3.47Å; F494-H503 AromaticContact CZ-CG 3.27Å; F494-H503 AromaticContact CZ-NE2 3.95Å
495	R	88.2	Confident	89.2	Confident	227 Å²	227	84.5 Å²	84.5	86%	0.857	39%	0.392	S	S	*	.	S	Bend	trans	-69.9	-7.7	-179.3	-63.5	172.3	60.5	82.2	3.5	114.2
496	S	88.4	Confident	89.4	Confident	39 Å²	39	82.9 Å²	82.9	27%	0.273	40%	0.397	S	S	.	.	S	Bend	trans	-160.4	161.3	173.6	80.1	0	0	0	0	111.4	F494 Y498 Y499 L500	F494-S496 PolarHBondContact O-N 2.89Å; S496-Y498 PolarHBondContact O-N 2.9Å; S496-Y498 PolarHBondContact OG-N 3.16Å; S496-Y499 PolarHBondContact O-N 2.83Å; S496-Y499 WeakPolarHBondContact OG-CD2 3.17Å; S496-Y499 PolarHBondContact OG-N 3.28Å; S496-L500 PolarHBondContact O-N 3.3Å
497	N	89.4	Confident	89.1	Confident	88 Å²	88	81.6 Å²	81.6	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-25.3	175.5	-158.1	40.8	0	0	0	113	R485 N501	R485-N497 WeakPolarHBondContact CD-OD1 3.27Å; N497-N501 WeakPolarHBondContact O-CB 3.44Å; N497-N501 PolarHBondContact O-N 3.04Å
498	Y	88.4	Confident	88.7	Confident	160 Å²	160	84.8 Å²	84.8	63%	0.627	41%	0.41	S	S	*	.	H	α-helix	trans	-66.5	-47.9	177.2	176.2	-99.2	0	0	0	111.3	S496 N501 I502	S496-Y498 PolarHBondContact O-N 2.9Å; S496-Y498 PolarHBondContact OG-N 3.16Å; Y498-N501 PolarHBondContact O-N 3.09Å; Y498-I502 HydrophobicContact CD1-CD1 3.94Å; Y498-I502 HydrophobicContact CE1-CD1 3.42Å; Y498-I502 VanDerWaalsContact CE1-CD1 3.42Å; Y498-I502 HydrophobicContact CE2-CD1 4.1Å; Y498-I502 HydrophobicContact CG-CD1 4.48Å; Y498-I502 WeakPolarHBondContact O-CG1 3.4Å; Y498-I502 PolarHBondContact O-N 3.27Å
499	Y	89.6	Confident	88.6	Confident	132 Å²	132	82.2 Å²	82.2	52%	0.518	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-36.3	176.8	-64.1	-61.5	0	0	0	112.2	S496 H503	S496-Y499 PolarHBondContact O-N 2.83Å; S496-Y499 WeakPolarHBondContact OG-CD2 3.17Å; S496-Y499 PolarHBondContact OG-N 3.28Å; Y499-H503 WeakPolarHBondContact O-CB 3.34Å; Y499-H503 PolarHBondContact O-N 2.8Å
500	L	92.9	Very high	88.8	Confident	15 Å²	15	80.3 Å²	80.3	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-49.1	171.6	175	58.6	0	0	0	111.7	R485 E486 C487 F494 S496 I502 H503 L504	R485-L500 HydrophobicContact CB-CD2 3.67Å; E486-L500 WeakPolarHBondContact O-CD2 3.46Å; C487-L500 HydrophobicContact CB-CD1 3.79Å; F494-L500 HydrophobicContact CB-CB 4.08Å; F494-L500 HydrophobicContact CD2-CB 4.18Å; F494-L500 HydrophobicContact CD2-CD1 3.88Å; F494-L500 HydrophobicContact CE2-CD1 4.29Å; F494-L500 HydrophobicContact CG-CB 4.24Å; S496-L500 PolarHBondContact O-N 3.3Å; L500-I502 VanDerWaalsContact C-N 3.33Å; L500-I502 PolarHBondContact O-N 3.24Å; L500-H503 CarbonylContact O-C 3.55Å; L500-H503 WeakPolarHBondContact O-CA 3.4Å; L500-H503 WeakPolarHBondContact O-CB 3.46Å; L500-H503 PolarHBondContact O-N 3.37Å; L500-L504 HydrophobicContact CD1-CD1 4.35Å; L500-L504 HydrophobicContact CD1-CD2 4.32Å; L500-L504 HydrophobicContact CD1-CG 4.04Å; L500-L504 HydrophobicContact CG-CD1 4.2Å; L500-L504 HydrophobicContact CG-CG 4.35Å; L500-L504 WeakPolarHBondContact O-CG 3.44Å; L500-L504 PolarHBondContact O-N 3.09Å
501	N	89.6	Confident	88.7	Confident	80 Å²	80	83.5 Å²	83.5	43%	0.428	40%	0.404	S	S	.	.	H	α-helix	trans	-61.4	-41.1	-179.7	-170.2	-68.1	0	0	0	112	N497 Y498 H503 L504 R505	N497-N501 WeakPolarHBondContact O-CB 3.44Å; N497-N501 PolarHBondContact O-N 3.04Å; Y498-N501 PolarHBondContact O-N 3.09Å; N501-H503 VanDerWaalsContact C-N 3.31Å; N501-H503 PolarHBondContact O-N 3.09Å; N501-L504 PolarHBondContact O-N 3.08Å; N501-R505 PolarHBondContact OD1-NH2 3.34Å
502	I	89.3	Confident	88.8	Confident	22 Å²	22	85.4 Å²	85.4	11%	0.113	41%	0.41	C	S	.	.	H	α-helix	trans	-60.2	-40.9	171.9	-76.5	173.8	0	0	0	111.7	Y498 L500 R505 Q524	Y498-I502 HydrophobicContact CD1-CD1 3.94Å; Y498-I502 HydrophobicContact CE1-CD1 3.42Å; Y498-I502 VanDerWaalsContact CE1-CD1 3.42Å; Y498-I502 HydrophobicContact CE2-CD1 4.1Å; Y498-I502 HydrophobicContact CG-CD1 4.48Å; Y498-I502 WeakPolarHBondContact O-CG1 3.4Å; Y498-I502 PolarHBondContact O-N 3.27Å; L500-I502 VanDerWaalsContact C-N 3.33Å; L500-I502 PolarHBondContact O-N 3.24Å; I502-R505 WeakPolarHBondContact O-CB 3.3Å; I502-R505 PolarHBondContact O-N 2.61Å; I502-Q524 HydrophobicContact CG2-CG 3.74Å; I502-Q524 VanDerWaalsContact CG2-NE2 3.32Å
503	H	88.3	Confident	88.9	Confident	28 Å²	28	83 Å²	83	13%	0.13	40%	0.398	C	S	.	.	H	α-helix	trans	-71.6	-34.1	177.7	174.1	52.6	0	0	0	113.2	C487 C490 F494 Y499 L500 N501 R505 T506 H507	C487-H503 PolarHBondContact SG-CD2 2.91Å; C487-H503 PolarHBondContact SG-NE2 3.16Å; C487-H503 VanDerWaalsContact SG-NE2 3.37Å; C490-H503 PolarHBondContact SG-NE2 3.38Å; F494-H503 HydrophobicContact CE1-CB 3.86Å; F494-H503 HydrophobicContact CE2-CB 3.99Å; F494-H503 AromaticContact CE2-CD2 3.18Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.36Å; F494-H503 AromaticContact CE2-CG 3.7Å; F494-H503 AromaticContact CE2-NE2 4Å; F494-H503 HydrophobicContact CZ-CB 3.52Å; F494-H503 AromaticContact CZ-CD2 3.22Å; F494-H503 WeakPolarHBondContact CZ-CD2 3.47Å; F494-H503 AromaticContact CZ-CG 3.27Å; F494-H503 AromaticContact CZ-NE2 3.95Å; Y499-H503 WeakPolarHBondContact O-CB 3.34Å; Y499-H503 PolarHBondContact O-N 2.8Å; L500-H503 CarbonylContact O-C 3.55Å; L500-H503 WeakPolarHBondContact O-CA 3.4Å; L500-H503 WeakPolarHBondContact O-CB 3.46Å; L500-H503 PolarHBondContact O-N 3.37Å; N501-H503 VanDerWaalsContact C-N 3.31Å; N501-H503 PolarHBondContact O-N 3.09Å; H503-R505 PolarHBondContact O-N 3.38Å; H503-R505 VanDerWaalsContact O-N 3.15Å; H503-T506 PolarHBondContact CE1-OG1 3.14Å; H503-T506 PolarHBondContact ND1-OG1 2.8Å; H503-T506 VanDerWaalsContact ND1-OG1 3.12Å; H503-T506 PolarHBondContact O-N 3.07Å; H503-T506 PolarHBondContact O-OG1 3.05Å; H503-H507 AromaticContact CD2-NE2 3.98Å; H503-H507 AromaticContact CE1-CD2 3.82Å; H503-H507 AromaticContact CE1-NE2 3.19Å; H503-H507 PolarHBondContact CE1-NE2 3.14Å; H503-H507 AromaticContact NE2-CD2 3.69Å; H503-H507 AromaticContact NE2-NE2 3.01Å; H503-H507 PolarHBondContact NE2-NE2 3.04Å
504	L	89.2	Confident	89	Confident	50 Å²	50	83.1 Å²	83.1	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-58.1	-29.8	175.2	-70.9	171.7	0	0	0	112	Y489 L500 N501 T506 H507 T508	Y489-L504 HydrophobicContact CD2-CD2 3.75Å; Y489-L504 HydrophobicContact CE2-CD2 3.97Å; L500-L504 HydrophobicContact CD1-CD1 4.35Å; L500-L504 HydrophobicContact CD1-CD2 4.32Å; L500-L504 HydrophobicContact CD1-CG 4.04Å; L500-L504 HydrophobicContact CG-CD1 4.2Å; L500-L504 HydrophobicContact CG-CG 4.35Å; L500-L504 WeakPolarHBondContact O-CG 3.44Å; L500-L504 PolarHBondContact O-N 3.09Å; N501-L504 PolarHBondContact O-N 3.08Å; L504-T506 PolarHBondContact O-N 3.27Å; L504-H507 WeakPolarHBondContact O-CB 3.43Å; L504-H507 PolarHBondContact O-N 3.3Å; L504-T508 PolarHBondContact O-N 2.93Å
505	R	89.8	Confident	89.1	Confident	45 Å²	45	81.7 Å²	81.7	17%	0.17	40%	0.397	C	S	.	.	H	α-helix	trans	-65.9	-19.2	172.9	-59.3	176.6	-167.7	-178.8	-1.5	114.3	N501 I502 H503 H507 G509 E510 A523	N501-R505 PolarHBondContact OD1-NH2 3.34Å; I502-R505 WeakPolarHBondContact O-CB 3.3Å; I502-R505 PolarHBondContact O-N 2.61Å; H503-R505 PolarHBondContact O-N 3.38Å; H503-R505 VanDerWaalsContact O-N 3.15Å; R505-H507 VanDerWaalsContact C-N 3.27Å; R505-G509 WeakPolarHBondContact O-CA 3.28Å; R505-G509 PolarHBondContact O-N 3.4Å; R505-E510 HydrophobicContact CB-CB 4.41Å; R505-E510 HydrophobicContact CG-CB 4.27Å; R505-E510 PolarHBondContact O-N 3.48Å; R505-A523 HydrophobicContact CB-CB 4.01Å; R505-A523 WeakPolarHBondContact CD-O 3.37Å; R505-A523 PolarHBondContact NH1-O 3.33Å
506	T	85.9	Confident	89.3	Confident	95 Å²	95	79.5 Å²	79.5	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-76.3	-18.3	170.9	71	0	0	0	0	112.3	H503 L504	H503-T506 PolarHBondContact CE1-OG1 3.14Å; H503-T506 PolarHBondContact ND1-OG1 2.8Å; H503-T506 VanDerWaalsContact ND1-OG1 3.12Å; H503-T506 PolarHBondContact O-N 3.07Å; H503-T506 PolarHBondContact O-OG1 3.05Å; L504-T506 PolarHBondContact O-N 3.27Å
507	H	86.5	Confident	89.3	Confident	72 Å²	72	81.4 Å²	81.4	33%	0.333	40%	0.4	S	S	.	.	H	α-helix	trans	-93.9	-41	174.6	-63.1	-72.4	0	0	0	112.2	C487 Y489 C490 H503 L504 R505 G509	C487-H507 PolarHBondContact SG-NE2 3.26Å; Y489-H507 HydrophobicContact CD2-CB 3.95Å; Y489-H507 HydrophobicContact CE2-CB 4.47Å; Y489-H507 HydrophobicContact CG-CB 4.01Å; Y489-H507 AromaticContact CG-CG 3.94Å; C490-H507 PolarHBondContact SG-NE2 2.83Å; C490-H507 VanDerWaalsContact SG-NE2 3.35Å; H503-H507 AromaticContact CD2-NE2 3.98Å; H503-H507 AromaticContact CE1-CD2 3.82Å; H503-H507 AromaticContact CE1-NE2 3.19Å; H503-H507 PolarHBondContact CE1-NE2 3.14Å; H503-H507 AromaticContact NE2-CD2 3.69Å; H503-H507 AromaticContact NE2-NE2 3.01Å; H503-H507 PolarHBondContact NE2-NE2 3.04Å; L504-H507 WeakPolarHBondContact O-CB 3.43Å; L504-H507 PolarHBondContact O-N 3.3Å; R505-H507 VanDerWaalsContact C-N 3.27Å; H507-G509 VanDerWaalsContact C-N 3.3Å
508	T	84.5	Confident	89.5	Confident	67 Å²	67	79.8 Å²	79.8	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-79.1	-12.5	176.1	66.1	0	0	0	0	113.6	L504 E510	L504-T508 PolarHBondContact O-N 2.93Å; T508-E510 WeakPolarHBondContact CB-OE1 3.48Å; T508-E510 PolarHBondContact O-N 3.37Å; T508-E510 WeakPolarHBondContact OG1-CB 3.42Å; T508-E510 VanDerWaalsContact OG1-CD 3.24Å; T508-E510 VanDerWaalsContact OG1-CG 3.3Å; T508-E510 WeakPolarHBondContact OG1-CG 3.45Å; T508-E510 PolarHBondContact OG1-OE1 2.86Å
509	G	85.9	Confident	89.6	Confident	51 Å²	51	81.7 Å²	81.7	53%	0.526	41%	0.409	S	S	.	.			trans	70.4	6.2	-176	0	0	0	0	0	114.3	R505 H507 K511	R505-G509 WeakPolarHBondContact O-CA 3.28Å; R505-G509 PolarHBondContact O-N 3.4Å; H507-G509 VanDerWaalsContact C-N 3.3Å; G509-K511 PolarHBondContact O-N 3.27Å
510	E	87.3	Confident	89.7	Confident	109 Å²	109	80 Å²	80	51%	0.509	40%	0.403	S	S	.	.			trans	-63	119.9	-175.3	-80.8	168.3	-129.4	0	0	112.8	R505 T508 P512	R505-E510 HydrophobicContact CB-CB 4.41Å; R505-E510 HydrophobicContact CG-CB 4.27Å; R505-E510 PolarHBondContact O-N 3.48Å; T508-E510 WeakPolarHBondContact CB-OE1 3.48Å; T508-E510 PolarHBondContact O-N 3.37Å; T508-E510 WeakPolarHBondContact OG1-CB 3.42Å; T508-E510 VanDerWaalsContact OG1-CD 3.24Å; T508-E510 VanDerWaalsContact OG1-CG 3.3Å; T508-E510 WeakPolarHBondContact OG1-CG 3.45Å; T508-E510 PolarHBondContact OG1-OE1 2.86Å; E510-P512 VanDerWaalsContact C-CD 3.43Å; E510-P512 VanDerWaalsContact O-CD 3.22Å; E510-P512 WeakPolarHBondContact O-CD 3.35Å
511	K	89.3	Confident	89.7	Confident	123 Å²	123	80.4 Å²	80.4	54%	0.535	41%	0.408	S	S	.	.			trans	-117.5	73.9	178.2	-71.4	166.9	164.4	-161.2	0	110.5	G509 Y513 A521 A522	G509-K511 PolarHBondContact O-N 3.27Å; K511-Y513 VanDerWaalsContact C-N 3.28Å; K511-Y513 PolarHBondContact O-N 3.22Å; K511-A521 HydrophobicContact CB-CB 3.75Å; K511-A521 HydrophobicContact CD-CB 4.24Å; K511-A521 VanDerWaalsContact CD-O 3.24Å; K511-A521 WeakPolarHBondContact CD-O 3.4Å; K511-A521 WeakPolarHBondContact CE-O 3.41Å; K511-A522 CarbonylContact C-O 3.54Å; K511-A522 WeakPolarHBondContact CA-O 3.49Å
512	P	88.6	Confident	89.7	Confident	72 Å²	72	76.8 Å²	76.8	47%	0.468	39%	0.389	S	S	.	.			trans	-70.9	-19.9	-175.5	28.4	-35.3	0	0	0	113.7	E510	E510-P512 VanDerWaalsContact C-CD 3.43Å; E510-P512 VanDerWaalsContact O-CD 3.22Å; E510-P512 WeakPolarHBondContact O-CD 3.35Å
513	Y	92.6	Very high	89.7	Confident	78 Å²	78	76.9 Å²	76.9	31%	0.306	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	103.4	-179.8	-52.5	-71	0	0	0	110	K511 A521 A522 A523 K525	K511-Y513 VanDerWaalsContact C-N 3.28Å; K511-Y513 PolarHBondContact O-N 3.22Å; Y513-A521 CarbonylContact O-C 3.57Å; Y513-A521 WeakPolarHBondContact O-CA 3.21Å; Y513-A522 PolarHBondContact N-O 3.24Å; Y513-A522 PolarHBondContact O-N 3.28Å; Y513-A523 WeakPolarHBondContact CE2-O 3.5Å; Y513-K525 HydrophobicContact CD1-CB 4.07Å; Y513-K525 HydrophobicContact CD2-CB 4.41Å; Y513-K525 VanDerWaalsContact CD2-N 3.26Å; Y513-K525 HydrophobicContact CE1-CB 3.94Å; Y513-K525 HydrophobicContact CE2-CB 4.25Å; Y513-K525 VanDerWaalsContact CE2-N 3.32Å; Y513-K525 HydrophobicContact CG-CB 4.31Å
514	K	92.7	Very high	89.8	Confident	150 Å²	150	79 Å²	79	65%	0.652	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	149.5	176.1	-61.8	175.6	-175.5	170.7	0	110.2	Y520 A521 L528	K514-Y520 CarbonylContact C-O 3.4Å; K514-A521 HydrophobicContact CG-CB 4.02Å; K514-L528 VanDerWaalsContact O-CD2 3.24Å; K514-L528 WeakPolarHBondContact O-CD2 3.46Å
515	C	95.2	Very high	89.9	Confident	12 Å²	12	84 Å²	84	8%	0.081	42%	0.422	C	S	.	.			trans	-75	146.8	164.2	-171.4	0	0	0	0	109.9	F517 C518 Y520 L528 H531 L532 H536	C515-F517 PolarHBondContact SG-N 3.35Å; C515-C518 WeakPolarHBondContact CB-O 3.33Å; C515-C518 VanDerWaalsContact O-O 3.1Å; C515-Y520 PolarHBondContact N-O 2.93Å; C515-L528 HydrophobicContact CB-CD1 3.86Å; C515-H531 PolarHBondContact SG-NE2 3.2Å; C515-H531 VanDerWaalsContact SG-NE2 3.41Å; C515-L532 VanDerWaalsContact SG-CD2 3.53Å; C515-H536 PolarHBondContact SG-CD2 3.48Å
516	E	92.5	Very high	90	Very high	182 Å²	182	86.1 Å²	86.1	85%	0.85	44%	0.441	S	S	*	.	S	Bend	trans	-87	-23.5	174.8	-70.6	156.7	-161.5	0	0	111.3
517	F	88.9	Confident	90.3	Very high	79 Å²	79	83.7 Å²	83.7	35%	0.346	43%	0.428	S	S	.	.	S	Bend	trans	-96.7	-9.8	-177.4	-54.1	-67.2	0	0	0	114.4	C515 L532 H536 K539 Q540	C515-F517 PolarHBondContact SG-N 3.35Å; F517-L532 HydrophobicContact CD2-CD2 3.72Å; F517-L532 HydrophobicContact CE2-CD2 3.99Å; F517-H536 HydrophobicContact CB-CB 4.48Å; F517-H536 HydrophobicContact CD2-CB 3.62Å; F517-H536 AromaticContact CD2-CG 3.66Å; F517-H536 HydrophobicContact CE2-CB 4.15Å; F517-H536 HydrophobicContact CG-CB 4.26Å; F517-H536 AromaticContact CG-CG 3.95Å; F517-K539 HydrophobicContact CD1-CD 4.2Å; F517-K539 HydrophobicContact CE1-CB 4.21Å; F517-K539 HydrophobicContact CZ-CB 4.19Å; F517-Q540 HydrophobicContact CE2-CG 4.45Å
518	C	93.1	Very high	90.7	Very high	53 Å²	53	81.3 Å²	81.3	36%	0.358	42%	0.417	S	S	.	.	S	Bend	trans	-161	172.9	172.9	73.2	0	0	0	0	112.1	C515 Y520 H531	C515-C518 WeakPolarHBondContact CB-O 3.33Å; C515-C518 VanDerWaalsContact O-O 3.1Å; C518-Y520 PolarHBondContact O-N 2.77Å; C518-Y520 VanDerWaalsContact SG-CB 3.57Å; C518-H531 PolarHBondContact SG-CE1 3.29Å; C518-H531 PolarHBondContact SG-NE2 3.39Å
519	E	89.4	Confident	91.1	Very high	201 Å²	201	86.1 Å²	86.1	94%	0.939	43%	0.428	S	S	*	.	S	Bend	trans	-71.9	4.5	-177.7	-55.6	-169.7	150	0	0	115.1	A521	E519-A521 PolarHBondContact O-N 2.83Å
520	Y	92	Very high	91.5	Very high	97 Å²	97	89.9 Å²	89.9	38%	0.38	43%	0.427	S	S	.	.			trans	-63	128.2	179.9	-179.4	-98.2	0	0	0	111.7	K514 C515 C518 A522 H531	K514-Y520 CarbonylContact C-O 3.4Å; C515-Y520 PolarHBondContact N-O 2.93Å; C518-Y520 PolarHBondContact O-N 2.77Å; C518-Y520 VanDerWaalsContact SG-CB 3.57Å; Y520-A522 HydrophobicContact CE1-CB 3.88Å; Y520-H531 HydrophobicContact CD1-CB 3.84Å; Y520-H531 AromaticContact CD1-CD2 3.51Å; Y520-H531 AromaticContact CD1-CG 3.38Å; Y520-H531 AromaticContact CD1-ND1 3.73Å; Y520-H531 AromaticContact CD1-NE2 3.92Å; Y520-H531 HydrophobicContact CE1-CB 3.63Å; Y520-H531 AromaticContact CE1-CG 3.73Å; Y520-H531 AromaticContact CG-CE1 3.8Å; Y520-H531 AromaticContact CG-CG 3.87Å; Y520-H531 AromaticContact CG-ND1 3.71Å; Y520-H531 AromaticContact CG-NE2 3.99Å
521	A	92.3	Very high	91.7	Very high	22 Å²	22	85.5 Å²	85.5	18%	0.182	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.3	178.2	0	0	0	0	0	111.6	K511 Y513 K514 E519	K511-A521 HydrophobicContact CB-CB 3.75Å; K511-A521 HydrophobicContact CD-CB 4.24Å; K511-A521 VanDerWaalsContact CD-O 3.24Å; K511-A521 WeakPolarHBondContact CD-O 3.4Å; K511-A521 WeakPolarHBondContact CE-O 3.41Å; Y513-A521 CarbonylContact O-C 3.57Å; Y513-A521 WeakPolarHBondContact O-CA 3.21Å; K514-A521 HydrophobicContact CG-CB 4.02Å; E519-A521 PolarHBondContact O-N 2.83Å
522	A	90.4	Very high	91.9	Very high	4 Å²	4	80.9 Å²	80.9	3%	0.033	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151	-173.1	0	0	0	0	0	113.3	K511 Y513 Y520 Q524	K511-A522 CarbonylContact C-O 3.54Å; K511-A522 WeakPolarHBondContact CA-O 3.49Å; Y513-A522 PolarHBondContact N-O 3.24Å; Y513-A522 PolarHBondContact O-N 3.28Å; Y520-A522 HydrophobicContact CE1-CB 3.88Å; A522-Q524 VanDerWaalsContact C-N 3.3Å
523	A	88.9	Confident	92.1	Very high	24 Å²	24	81.8 Å²	81.8	20%	0.198	39%	0.385	C	S	.	.	S	Bend	trans	-73.3	-20.2	174.2	0	0	0	0	0	113.4	R505 Y513	R505-A523 HydrophobicContact CB-CB 4.01Å; R505-A523 WeakPolarHBondContact CD-O 3.37Å; R505-A523 PolarHBondContact NH1-O 3.33Å; Y513-A523 WeakPolarHBondContact CE2-O 3.5Å
524	Q	90.4	Very high	91.9	Very high	73 Å²	73	85.6 Å²	85.6	34%	0.341	40%	0.399	S	S	.	.	S	Bend	trans	-130.9	142.8	-175.5	-57.2	-176.6	35.8	0	0	112.7	I502 A522 T526 S527 L528	I502-Q524 HydrophobicContact CG2-CG 3.74Å; I502-Q524 VanDerWaalsContact CG2-NE2 3.32Å; A522-Q524 VanDerWaalsContact C-N 3.3Å; Q524-T526 VanDerWaalsContact C-N 3.28Å; Q524-T526 WeakPolarHBondContact CB-OG1 3.42Å; Q524-T526 PolarHBondContact O-N 3.25Å; Q524-T526 PolarHBondContact OE1-OG1 3.16Å; Q524-S527 PolarHBondContact O-N 3.21Å; Q524-L528 PolarHBondContact O-N 3.23Å
525	K	91.1	Very high	91.5	Very high	154 Å²	154	84.6 Å²	84.6	67%	0.67	40%	0.397	S	S	*	.	H	α-helix	trans	-65.3	-29.9	177.8	-174.5	172.1	-179.5	173.5	0	112.6	Y513 L528 R529	Y513-K525 HydrophobicContact CD1-CB 4.07Å; Y513-K525 HydrophobicContact CD2-CB 4.41Å; Y513-K525 VanDerWaalsContact CD2-N 3.26Å; Y513-K525 HydrophobicContact CE1-CB 3.94Å; Y513-K525 HydrophobicContact CE2-CB 4.25Å; Y513-K525 VanDerWaalsContact CE2-N 3.32Å; Y513-K525 HydrophobicContact CG-CB 4.31Å; K525-L528 PolarHBondContact O-N 2.89Å; K525-R529 WeakPolarHBondContact O-CB 3.33Å; K525-R529 PolarHBondContact O-N 3.33Å
526	T	91.6	Very high	91.1	Very high	91 Å²	91	85 Å²	85	56%	0.558	40%	0.397	S	S	*	.	H	α-helix	trans	-61.5	-47.2	173.6	41.1	0	0	0	0	111.9	Q524 R529 Y530	Q524-T526 VanDerWaalsContact C-N 3.28Å; Q524-T526 WeakPolarHBondContact CB-OG1 3.42Å; Q524-T526 PolarHBondContact O-N 3.25Å; Q524-T526 PolarHBondContact OE1-OG1 3.16Å; T526-R529 PolarHBondContact O-N 2.76Å; T526-Y530 WeakPolarHBondContact O-CB 3.47Å; T526-Y530 PolarHBondContact O-N 3.21Å
527	S	92.6	Very high	90.4	Very high	43 Å²	43	83 Å²	83	30%	0.301	39%	0.386	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176.1	-50.9	0	0	0	0	112.1	Q524 H531	Q524-S527 PolarHBondContact O-N 3.21Å; S527-H531 WeakPolarHBondContact O-CB 3.34Å; S527-H531 PolarHBondContact O-N 3.25Å
528	L	94.6	Very high	89.7	Confident	22 Å²	22	85 Å²	85	12%	0.115	40%	0.4	C	S	.	.	H	α-helix	trans	-63.2	-46	172.9	176.2	61	0	0	0	111.7	K514 C515 Q524 K525 Y530 H531 L532	K514-L528 VanDerWaalsContact O-CD2 3.24Å; K514-L528 WeakPolarHBondContact O-CD2 3.46Å; C515-L528 HydrophobicContact CB-CD1 3.86Å; Q524-L528 PolarHBondContact O-N 3.23Å; K525-L528 PolarHBondContact O-N 2.89Å; L528-Y530 PolarHBondContact O-N 3.44Å; L528-H531 WeakPolarHBondContact O-CB 3.35Å; L528-H531 PolarHBondContact O-N 3.45Å; L528-L532 HydrophobicContact CD1-CD1 4.18Å; L528-L532 HydrophobicContact CD1-CG 4.1Å; L528-L532 HydrophobicContact CG-CD1 3.97Å; L528-L532 HydrophobicContact CG-CG 4.37Å; L528-L532 WeakPolarHBondContact O-CG 3.4Å; L528-L532 PolarHBondContact O-N 2.81Å
529	R	94.1	Very high	88.4	Confident	169 Å²	169	88.1 Å²	88.1	64%	0.638	41%	0.408	S	S	*	.	H	α-helix	trans	-57.2	-48.7	176.4	177.3	179.9	170.3	158.8	4	111.5	K525 T526 H531 L532 E533	K525-R529 WeakPolarHBondContact O-CB 3.33Å; K525-R529 PolarHBondContact O-N 3.33Å; T526-R529 PolarHBondContact O-N 2.76Å; R529-H531 VanDerWaalsContact C-N 3.3Å; R529-H531 PolarHBondContact O-N 2.77Å; R529-L532 PolarHBondContact O-N 3.42Å; R529-E533 IonicContact NE-OE2 2.73Å; R529-E533 WeakPolarHBondContact O-CB 3.44Å; R529-E533 PolarHBondContact O-N 3.46Å
530	Y	93.5	Very high	87.1	Confident	130 Å²	130	82.3 Å²	82.3	51%	0.51	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-37.9	178.7	-179.2	-89.8	0	0	0	112.4	T526 L528 R534	T526-Y530 WeakPolarHBondContact O-CB 3.47Å; T526-Y530 PolarHBondContact O-N 3.21Å; L528-Y530 PolarHBondContact O-N 3.44Å; Y530-R534 VanDerWaalsContact CE2-NH1 3.27Å; Y530-R534 PolarHBondContact O-N 3.4Å; Y530-R534 VanDerWaalsContact O-N 3.13Å; Y530-R534 VanDerWaalsContact OH-CZ 3.22Å; Y530-R534 PolarHBondContact OH-NE 3.38Å
531	H	92.3	Very high	85.4	Confident	16 Å²	16	80.7 Å²	80.7	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-48.2	173.3	162.7	80.2	0	0	0	111.9	C515 C518 Y520 S527 L528 R529 E533 R534 H535 H536	C515-H531 PolarHBondContact SG-NE2 3.2Å; C515-H531 VanDerWaalsContact SG-NE2 3.41Å; C518-H531 PolarHBondContact SG-CE1 3.29Å; C518-H531 PolarHBondContact SG-NE2 3.39Å; Y520-H531 HydrophobicContact CD1-CB 3.84Å; Y520-H531 AromaticContact CD1-CD2 3.51Å; Y520-H531 AromaticContact CD1-CG 3.38Å; Y520-H531 AromaticContact CD1-ND1 3.73Å; Y520-H531 AromaticContact CD1-NE2 3.92Å; Y520-H531 HydrophobicContact CE1-CB 3.63Å; Y520-H531 AromaticContact CE1-CG 3.73Å; Y520-H531 AromaticContact CG-CE1 3.8Å; Y520-H531 AromaticContact CG-CG 3.87Å; Y520-H531 AromaticContact CG-ND1 3.71Å; Y520-H531 AromaticContact CG-NE2 3.99Å; S527-H531 WeakPolarHBondContact O-CB 3.34Å; S527-H531 PolarHBondContact O-N 3.25Å; L528-H531 WeakPolarHBondContact O-CB 3.35Å; L528-H531 PolarHBondContact O-N 3.45Å; R529-H531 VanDerWaalsContact C-N 3.3Å; R529-H531 PolarHBondContact O-N 2.77Å; H531-E533 VanDerWaalsContact C-N 3.29Å; H531-E533 PolarHBondContact O-N 3.45Å; H531-R534 PolarHBondContact O-N 2.85Å; H531-H535 AromaticContact CE1-CD2 3.88Å; H531-H535 AromaticContact ND1-CD2 3.35Å; H531-H535 PolarHBondContact ND1-CD2 3.35Å; H531-H535 VanDerWaalsContact ND1-CD2 3.35Å; H531-H535 AromaticContact ND1-CG 3.99Å; H531-H535 WeakPolarHBondContact O-CB 3.46Å; H531-H535 PolarHBondContact O-CD2 2.84Å; H531-H535 PolarHBondContact O-N 3.4Å; H531-H536 AromaticContact CE1-NE2 3.84Å; H531-H536 AromaticContact NE2-CD2 3.53Å; H531-H536 AromaticContact NE2-NE2 3.43Å; H531-H536 PolarHBondContact NE2-NE2 2.93Å
532	L	92.6	Very high	83.5	Confident	26 Å²	26	84.7 Å²	84.7	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-58.4	-42.1	174.8	-69.8	166.3	0	0	0	111.4	C515 F517 L528 R529 R534 H536 K537	C515-L532 VanDerWaalsContact SG-CD2 3.53Å; F517-L532 HydrophobicContact CD2-CD2 3.72Å; F517-L532 HydrophobicContact CE2-CD2 3.99Å; L528-L532 HydrophobicContact CD1-CD1 4.18Å; L528-L532 HydrophobicContact CD1-CG 4.1Å; L528-L532 HydrophobicContact CG-CD1 3.97Å; L528-L532 HydrophobicContact CG-CG 4.37Å; L528-L532 WeakPolarHBondContact O-CG 3.4Å; L528-L532 PolarHBondContact O-N 2.81Å; R529-L532 PolarHBondContact O-N 3.42Å; L532-R534 VanDerWaalsContact C-N 3.28Å; L532-R534 PolarHBondContact O-N 2.85Å; L532-H536 HydrophobicContact CD2-CB 4.27Å; L532-H536 CarbonylContact O-C 3.52Å; L532-H536 VanDerWaalsContact O-CA 3.26Å; L532-H536 WeakPolarHBondContact O-CA 3.46Å; L532-H536 PolarHBondContact O-N 3.15Å; L532-K537 PolarHBondContact O-N 3.24Å; L532-K537 VanDerWaalsContact O-N 3.08Å
533	E	92.9	Very high	81.7	Confident	91 Å²	91	87 Å²	87	43%	0.425	42%	0.422	S	S	.	.	H	α-helix	trans	-70.4	-17.8	-179.5	-173.5	164.3	-158.7	0	0	114	R529 H531	R529-E533 IonicContact NE-OE2 2.73Å; R529-E533 WeakPolarHBondContact O-CB 3.44Å; R529-E533 PolarHBondContact O-N 3.46Å; H531-E533 VanDerWaalsContact C-N 3.29Å; H531-E533 PolarHBondContact O-N 3.45Å
534	R	89	Confident	80	Confident	158 Å²	158	89 Å²	89	60%	0.596	44%	0.439	S	S	*	.	H	α-helix	trans	-103.3	-35.5	174.8	-91.3	177.9	161.9	63.5	1.1	115.1	Y530 H531 L532	Y530-R534 VanDerWaalsContact CE2-NH1 3.27Å; Y530-R534 PolarHBondContact O-N 3.4Å; Y530-R534 VanDerWaalsContact O-N 3.13Å; Y530-R534 VanDerWaalsContact OH-CZ 3.22Å; Y530-R534 PolarHBondContact OH-NE 3.38Å; H531-R534 PolarHBondContact O-N 2.85Å; L532-R534 VanDerWaalsContact C-N 3.28Å; L532-R534 PolarHBondContact O-N 2.85Å
535	H	83.9	Confident	77.9	Confident	129 Å²	129	88.3 Å²	88.3	60%	0.597	45%	0.445	S	S	*	.	H	α-helix	trans	-108.1	-18.1	-173	-63.3	-81.7	0	0	0	113.8	H531	H531-H535 AromaticContact CE1-CD2 3.88Å; H531-H535 AromaticContact ND1-CD2 3.35Å; H531-H535 PolarHBondContact ND1-CD2 3.35Å; H531-H535 VanDerWaalsContact ND1-CD2 3.35Å; H531-H535 AromaticContact ND1-CG 3.99Å; H531-H535 WeakPolarHBondContact O-CB 3.46Å; H531-H535 PolarHBondContact O-CD2 2.84Å; H531-H535 PolarHBondContact O-N 3.4Å
536	H	87.4	Confident	75.5	Confident	20 Å²	20	86 Å²	86	9%	0.093	44%	0.44	C	S	.	.	S	Bend	trans	-136.4	28.1	-174	-54.7	-54.1	0	0	0	111.5	C515 F517 H531 L532 D538 K539 Q540	C515-H536 PolarHBondContact SG-CD2 3.48Å; F517-H536 HydrophobicContact CB-CB 4.48Å; F517-H536 HydrophobicContact CD2-CB 3.62Å; F517-H536 AromaticContact CD2-CG 3.66Å; F517-H536 HydrophobicContact CE2-CB 4.15Å; F517-H536 HydrophobicContact CG-CB 4.26Å; F517-H536 AromaticContact CG-CG 3.95Å; H531-H536 AromaticContact CE1-NE2 3.84Å; H531-H536 AromaticContact NE2-CD2 3.53Å; H531-H536 AromaticContact NE2-NE2 3.43Å; H531-H536 PolarHBondContact NE2-NE2 2.93Å; L532-H536 HydrophobicContact CD2-CB 4.27Å; L532-H536 CarbonylContact O-C 3.52Å; L532-H536 VanDerWaalsContact O-CA 3.26Å; L532-H536 WeakPolarHBondContact O-CA 3.46Å; L532-H536 PolarHBondContact O-N 3.15Å; H536-D538 VanDerWaalsContact C-N 3.34Å; H536-D538 PolarHBondContact O-N 2.8Å; H536-K539 PolarHBondContact O-N 2.92Å; H536-Q540 PolarHBondContact O-N 3.42Å
537	K	78.1	Confident	73.6	Confident	140 Å²	140	86.3 Å²	86.3	61%	0.609	44%	0.442	S	S	*	.	H	α-helix	trans	-57.6	-47	-174.2	-167.8	-174.5	178.1	-167.3	0	111.6	L532	L532-K537 PolarHBondContact O-N 3.24Å; L532-K537 VanDerWaalsContact O-N 3.08Å
538	D	73.9	Confident	71.2	Confident	122 Å²	122	93 Å²	93	65%	0.652	47%	0.465	S	S	*	.	H	α-helix	trans	-74	-44.3	-175.6	-37.4	-62.3	0	0	0	110.1	H536 Q540 A541 D542	H536-D538 VanDerWaalsContact C-N 3.34Å; H536-D538 PolarHBondContact O-N 2.8Å; D538-Q540 PolarHBondContact O-N 2.84Å; D538-A541 WeakPolarHBondContact O-CA 3.31Å; D538-A541 VanDerWaalsContact O-CB 3.29Å; D538-A541 WeakPolarHBondContact O-CB 3.31Å; D538-A541 PolarHBondContact O-N 3.5Å; D538-D542 PolarHBondContact O-N 2.79Å
539	K	65.6	Low	68.4	Low	118 Å²	118	98 Å²	98	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-27.4	176.6	-59.4	-169.5	178.3	-169.6	0	113.8	F517 H536 S543	F517-K539 HydrophobicContact CD1-CD 4.2Å; F517-K539 HydrophobicContact CE1-CB 4.21Å; F517-K539 HydrophobicContact CZ-CB 4.19Å; H536-K539 PolarHBondContact O-N 2.92Å; K539-S543 PolarHBondContact O-N 2.93Å; K539-S543 VanDerWaalsContact O-N 3.16Å; K539-S543 PolarHBondContact O-OG 3.07Å
540	Q	60.9	Low	65.7	Low	79 Å²	79	95.2 Å²	95.2	37%	0.369	49%	0.49	S	S	.	.	H	α-helix	trans	-71.6	-30.7	172.1	-88.7	-164.8	111.5	0	0	113	F517 H536 D538 S543 A544	F517-Q540 HydrophobicContact CE2-CG 4.45Å; H536-Q540 PolarHBondContact O-N 3.42Å; D538-Q540 PolarHBondContact O-N 2.84Å; Q540-S543 WeakPolarHBondContact CA-OG 3.19Å; Q540-S543 PolarHBondContact O-OG 3.09Å; Q540-A544 WeakPolarHBondContact O-CB 3.42Å; Q540-A544 PolarHBondContact O-N 3.05Å; Q540-A544 VanDerWaalsContact O-N 3.07Å
541	A	56.9	Low	63.3	Low	64 Å²	64	93.7 Å²	93.7	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-46.3	175.6	0	0	0	0	0	110.8	D538 A544 A545	D538-A541 WeakPolarHBondContact O-CA 3.31Å; D538-A541 VanDerWaalsContact O-CB 3.29Å; D538-A541 WeakPolarHBondContact O-CB 3.31Å; D538-A541 PolarHBondContact O-N 3.5Å; A541-A544 PolarHBondContact O-N 3.09Å; A541-A545 PolarHBondContact O-N 3.1Å
542	D	52.6	Low	61	Low	105 Å²	105	102.2 Å²	102.2	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-61	-48.2	177	-53.4	-36.2	0	0	0	111	D538 A544 A545 D546	D538-D542 PolarHBondContact O-N 2.79Å; D542-A544 PolarHBondContact O-N 2.86Å; D542-A545 WeakPolarHBondContact O-CB 3.38Å; D542-A545 PolarHBondContact O-N 3.04Å; D542-D546 PolarHBondContact O-N 3.42Å
543	S	53.5	Low	58.4	Low	53 Å²	53	107 Å²	107	37%	0.371	57%	0.565	S	S	.	*	H	α-helix	trans	-61.7	-26.4	177.3	72.7	0	0	0	0	113.9	K539 Q540 V547	K539-S543 PolarHBondContact O-N 2.93Å; K539-S543 VanDerWaalsContact O-N 3.16Å; K539-S543 PolarHBondContact O-OG 3.07Å; Q540-S543 WeakPolarHBondContact CA-OG 3.19Å; Q540-S543 PolarHBondContact O-OG 3.09Å; S543-V547 WeakPolarHBondContact O-CB 3.11Å; S543-V547 WeakPolarHBondContact O-CG2 3.49Å; S543-V547 PolarHBondContact O-N 3.14Å
544	A	51.9	Low	55.7	Low	67 Å²	67	106.9 Å²	106.9	55%	0.554	58%	0.575	S	S	*	*	H	α-helix	trans	-82.2	-15.3	176.3	0	0	0	0	0	113.1	Q540 A541 D542	Q540-A544 WeakPolarHBondContact O-CB 3.42Å; Q540-A544 PolarHBondContact O-N 3.05Å; Q540-A544 VanDerWaalsContact O-N 3.07Å; A541-A544 PolarHBondContact O-N 3.09Å; D542-A544 PolarHBondContact O-N 2.86Å
545	A	46.8	Very low	53.2	Low	58 Å²	58	107.8 Å²	107.8	48%	0.479	59%	0.59	S	S	.	*	H	α-helix	trans	-82.4	-53.5	172.2	0	0	0	0	0	111.2	A541 D542 V547 K548	A541-A545 PolarHBondContact O-N 3.1Å; D542-A545 WeakPolarHBondContact O-CB 3.38Å; D542-A545 PolarHBondContact O-N 3.04Å; A545-V547 PolarHBondContact O-N 3.38Å; A545-K548 PolarHBondContact O-N 3.18Å
546	D	41.7	Very low	50.9	Low	104 Å²	104	111 Å²	111	56%	0.556	61%	0.606	S	S	*	*	H	α-helix	trans	-66.9	-37.1	-174.7	-77	-30.6	0	0	0	113.5	D542 K548 N549 D550	D542-D546 PolarHBondContact O-N 3.42Å; D546-K548 PolarHBondContact O-N 3.46Å; D546-N549 PolarHBondContact O-N 3.22Å; D546-D550 PolarHBondContact O-N 3.21Å
547	V	50.5	Low	48.3	Very low	99 Å²	99	115.4 Å²	115.4	60%	0.6	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-18.7	178.4	168.6	0	0	0	0	112.7	S543 A545 S551	S543-V547 WeakPolarHBondContact O-CB 3.11Å; S543-V547 WeakPolarHBondContact O-CG2 3.49Å; S543-V547 PolarHBondContact O-N 3.14Å; A545-V547 PolarHBondContact O-N 3.38Å; V547-S551 PolarHBondContact O-OG 2.96Å
548	K	42.7	Very low	46.2	Very low	182 Å²	182	117.7 Å²	117.7	79%	0.791	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-17.1	173.9	-93.6	-173.5	172.3	-176.2	0	115.4	A545 D546	A545-K548 PolarHBondContact O-N 3.18Å; D546-K548 PolarHBondContact O-N 3.46Å
549	N	35.7	Very low	43.9	Very low	128 Å²	128	121 Å²	121	68%	0.684	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-40.8	-179.8	-75.9	-26	0	0	0	113	D546 S551	D546-N549 PolarHBondContact O-N 3.22Å; N549-S551 VanDerWaalsContact C-N 3.28Å; N549-S551 PolarHBondContact O-N 2.71Å
550	D	36.3	Very low	42	Very low	110 Å²	110	122.6 Å²	122.6	59%	0.588	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-4	-175.9	-78.9	-32.6	0	0	0	115	D546 K552	D546-D550 PolarHBondContact O-N 3.21Å; D550-K552 PolarHBondContact O-N 3.23Å
551	S	44.8	Very low	40.4	Very low	99 Å²	99	122 Å²	122	69%	0.692	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	15.3	174.8	-64.6	0	0	0	0	114.7	V547 N549	V547-S551 PolarHBondContact O-OG 2.96Å; N549-S551 VanDerWaalsContact C-N 3.28Å; N549-S551 PolarHBondContact O-N 2.71Å
552	K	43	Very low	39	Very low	194 Å²	194	126.6 Å²	126.6	84%	0.843	71%	0.713	S	S	*	*	S	Bend	trans	-140.9	-18.5	178.4	-162	168.3	-179	-178.5	0	116.8	D550	D550-K552 PolarHBondContact O-N 3.23Å
553	V	38.9	Very low	37.6	Very low	127 Å²	127	129.6 Å²	129.6	77%	0.77	73%	0.728	S	S	*	*	S	Bend	trans	-137.8	42.6	-173.9	-156.1	0	0	0	0	113.9
554	S	36.1	Very low	36.6	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	75%	0.751	S	S	*	*	S	Bend	trans	-151.9	63.9	166.9	-158.1	0	0	0	0	114.2
555	L	35.2	Very low	35.5	Very low	177 Å²	177	136.7 Å²	136.7	93%	0.927	77%	0.766	S	S	*	*	S	Bend	trans	-156.4	34.5	160.7	-122.4	174.2	0	0	0	114
556	Q	36.9	Very low	34.6	Very low	198 Å²	198	138 Å²	138	93%	0.925	78%	0.777	S	S	*	*	S	Bend	trans	-146.4	51.3	175.4	-159.6	166.4	11.5	0	0	113.3
557	S	31.9	Very low	34.1	Very low	112 Å²	112	141 Å²	141	78%	0.783	79%	0.793	S	S	*	*	S	Bend	trans	-151.9	10.9	175.7	53.5	0	0	0	0	115.9
558	Q	33.9	Very low	33	Very low	188 Å²	188	140.1 Å²	140.1	88%	0.879	80%	0.804	S	S	*	*	S	Bend	trans	-153.3	65.7	173.8	-159.6	166.5	61.1	0	0	114.9
559	E	27	Very low	32.4	Very low	191 Å²	191	136 Å²	136	89%	0.893	80%	0.804	S	S	*	*	S	Bend	trans	-175.2	76.7	140.3	-108.8	-176.8	176.2	0	0	112.9
560	T	25.8	Very low	32.2	Very low	152 Å²	152	138.4 Å²	138.4	93%	0.933	81%	0.811	S	S	*	*			trans	179.4	118.7	138.8	28.8	0	0	0	0	107.9
561	G	26.8	Very low	31.9	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	82%	0.818	S	S	*	*			cis	175.1	-172.1	-7.8	0	0	0	0	0	110
562	L	26.3	Very low	31.3	Very low	161 Å²	161	140.9 Å²	140.9	84%	0.843	82%	0.815	S	S	*	*			trans	176.8	108.5	135.7	-98.3	167.8	0	0	0	110.6
563	L	24.1	Very low	30.8	Very low	167 Å²	167	139.7 Å²	139.7	87%	0.874	81%	0.81	S	S	*	*			trans	-112.5	124	133	-79.9	178.9	0	0	0	106.3
564	L	32.1	Very low	30.4	Very low	164 Å²	164	140.4 Å²	140.4	86%	0.859	81%	0.809	S	S	*	*			trans	167	119.5	141.3	-92.9	162.9	0	0	0	109.4
565	A	28.2	Very low	30	Very low	106 Å²	106	142.4 Å²	142.4	88%	0.876	81%	0.812	S	S	*	*			trans	-161.1	102	165.4	0	0	0	0	0	110.8
566	A	29.1	Very low	29.9	Very low	85 Å²	85	142.4 Å²	142.4	70%	0.702	81%	0.805	S	S	*	*			trans	-173.1	130.5	158.1	0	0	0	0	0	105.6
567	D	31.3	Very low	29.7	Very low	168 Å²	168	143.8 Å²	143.8	90%	0.898	80%	0.802	S	S	*	*			cis	-147.5	169.4	-3.8	-95.7	-45.9	0	0	0	108.9
568	G	27.3	Very low	29.5	Very low	80 Å²	80	145.8 Å²	145.8	83%	0.825	80%	0.803	S	S	*	*			trans	135.9	122.8	164.2	0	0	0	0	0	114.8
569	A	30.4	Very low	29.2	Very low	95 Å²	95	144.8 Å²	144.8	79%	0.785	80%	0.796	S	S	*	*			trans	-107.8	160.6	176.5	0	0	0	0	0	111.6
570	Q	31.4	Very low	29.4	Very low	179 Å²	179	142.4 Å²	142.4	84%	0.836	79%	0.789	S	S	*	*			trans	-168.5	162.2	135.8	-96.3	-67.2	-70.6	0	0	108.6
571	E	30.3	Very low	29.6	Very low	158 Å²	158	138.4 Å²	138.4	74%	0.738	78%	0.778	S	S	*	*			trans	-101.1	170.2	-164.6	-51.7	166.1	91.3	0	0	113.8
572	T	30.3	Very low	30	Very low	102 Å²	102	139.5 Å²	139.5	63%	0.626	78%	0.781	S	S	*	*				173.1	145.6	102.3	36	0	0	0	0	115.7
573	K	33.4	Very low	30.3	Very low	169 Å²	169	140 Å²	140	74%	0.735	78%	0.776	S	S	*	*			trans	70.8	116.7	150.8	-66.1	149.8	-162.1	158.3	0	117.5
574	N	29.9	Very low	30.6	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	77%	0.768	S	S	*	*				77.3	137.8	75.5	-79	-51.3	0	0	0	114.3
575	L	27.4	Very low	30.6	Very low	130 Å²	130	134.7 Å²	134.7	68%	0.681	76%	0.762	S	S	*	*			cis	-162.5	121.5	-10.7	-178.3	132.1	0	0	0	113.4
576	K	34.1	Very low	30.6	Very low	177 Å²	177	138.8 Å²	138.8	77%	0.77	76%	0.763	S	S	*	*			trans	19.4	123.8	142.9	-165.4	177.4	-172.2	173.9	0	121.7
577	R	32.8	Very low	30.5	Very low	226 Å²	226	138 Å²	138	85%	0.853	76%	0.763	S	S	*	*			trans	-177	156.1	139	-96.3	159.7	-160.1	168.4	6.7	108.2
578	L	28.3	Very low	30.4	Very low	154 Å²	154	136 Å²	136	81%	0.806	76%	0.761	S	S	*	*			cis	-144.9	170.4	14.2	-129.3	156.5	0	0	0	111.5
579	F	27.8	Very low	31.8	Very low	167 Å²	167	137.5 Å²	137.5	73%	0.732	76%	0.756	S	S	*	*			trans	-79.6	-178.3	169.2	-81.4	-99.3	0	0	0	111
580	D	30.9	Very low	32.7	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	76%	0.755	S	S	*	*			cis	-150.8	154.1	6.7	-131.2	-47.3	0	0	0	108.2
581	G	29.6	Very low	32.6	Very low	68 Å²	68	134.2 Å²	134.2	70%	0.701	75%	0.749	S	S	*	*				117.6	165.5	85.9	0	0	0	0	0	110.2
582	A	34.7	Very low	32.7	Very low	88 Å²	88	135 Å²	135	73%	0.727	75%	0.75	S	S	*	*			cis	-160.5	145.9	-6.8	0	0	0	0	0	111.6
583	K	33.2	Very low	32.7	Very low	172 Å²	172	136.9 Å²	136.9	75%	0.748	75%	0.752	S	S	*	*			trans	57.2	120.4	138.9	-66.7	-166.4	157.4	-83.5	0	120.7
584	D	29.5	Very low	32.5	Very low	131 Å²	131	136.1 Å²	136.1	70%	0.701	75%	0.751	S	S	*	*				82.3	139.3	83.2	-60.5	-15.8	0	0	0	112.2
585	A	31.8	Very low	32.5	Very low	88 Å²	88	136.8 Å²	136.8	73%	0.727	75%	0.747	S	S	*	*			cis	-165.4	-178.4	-3.1	0	0	0	0	0	112.3
586	E	29.3	Very low	32.5	Very low	193 Å²	193	138.2 Å²	138.2	90%	0.902	75%	0.75	S	S	*	*			trans	75.4	151.4	152.4	-76.6	-58.7	156.4	0	0	122.8
587	G	27.6	Very low	32.2	Very low	68 Å²	68	137.5 Å²	137.5	70%	0.701	75%	0.752	S	S	*	*			trans	112.6	114.7	163.6	0	0	0	0	0	117.3
588	C	28	Very low	31.9	Very low	127 Å²	127	135.3 Å²	135.3	86%	0.858	75%	0.753	S	S	*	*			trans	-149.2	177.1	172.4	-135.2	0	0	0	0	112.1
589	P	56.2	Low	31.8	Very low	111 Å²	111	133.4 Å²	133.4	72%	0.721	75%	0.753	S	S	*	*				-101.1	-174.8	-114.8	43.9	-31.9	0	0	0	113.5
590	P	50	Low	31.9	Very low	117 Å²	117	133 Å²	133	76%	0.76	76%	0.758	S	S	*	*				-160.5	170.5	90.5	42	-22.4	0	0	0	118.7
591	A	29.7	Very low	31.8	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	76%	0.758	S	S	*	*			trans	66.4	163.6	144.2	0	0	0	0	0	120.4
592	K	32.6	Very low	31.7	Very low	175 Å²	175	138.1 Å²	138.1	76%	0.761	77%	0.769	S	S	*	*			cis	-166.6	160.2	-27	-108.1	-178	-180	179.7	0	110.4
593	Q	29.3	Very low	31.5	Very low	141 Å²	141	138 Å²	138	66%	0.659	77%	0.767	S	S	*	*			trans	71	125.5	152.4	-70.6	165.6	-88.5	0	0	119.4
594	Q	29.3	Very low	31.3	Very low	153 Å²	153	138.3 Å²	138.3	72%	0.715	78%	0.776	S	S	*	*				78.2	130.5	108.5	-64.7	179.2	-90.1	0	0	114.4
595	K	30.5	Very low	31.1	Very low	157 Å²	157	135.5 Å²	135.5	68%	0.683	78%	0.777	S	S	*	*				61.6	114.1	55.5	-159	171.5	-173.7	-75.8	0	109.7
596	E	27	Very low	30.8	Very low	159 Å²	159	136.7 Å²	136.7	74%	0.743	78%	0.78	S	S	*	*			cis	-150.8	-178.1	46.6	-159.3	110.5	-138	0	0	112.5
597	M	28.2	Very low	30.9	Very low	163 Å²	163	133.3 Å²	133.3	80%	0.803	77%	0.773	S	S	*	*			trans	-88.8	149.5	-177.4	162.1	-176.6	168.4	0	0	113
598	M	25.5	Very low	31	Very low	180 Å²	180	135.8 Å²	135.8	89%	0.887	77%	0.774	S	S	*	*			trans	-174.2	123.1	145	-100.6	-55.9	166.7	0	0	112.4
599	S	27.5	Very low	31	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	77%	0.773	S	S	*	*				163.7	164.4	129.1	-161.2	0	0	0	0	111.1
600	L	29.6	Very low	29.5	Very low	159 Å²	159	141 Å²	141	83%	0.832	78%	0.778	S	S	*	*			trans	-114.4	164.3	-167.7	-153.9	72.6	0	0	0	113.4
601	N	27.8	Very low	28.4	Very low	144 Å²	144	145.5 Å²	145.5	77%	0.77	78%	0.78	S	S	*	*			trans	-60.5	154.8	-176.6	-56.4	-34.5	0	0	0	115.3
602	N	28.5	Very low	28.3	Very low	173 Å²	173	147.9 Å²	147.9	93%	0.925	78%	0.778	S	S	*	*			trans	-132.6	162.6	139.7	-108.8	-29.3	0	0	0	108.6
603	A	30.2	Very low	28	Very low	84 Å²	84	146.9 Å²	146.9	69%	0.694	77%	0.774	S	S	*	*			trans	-134.7	177.4	-153.1	0	0	0	0	0	116.2
604	I	29.7	Very low	27.9	Very low	180 Å²	180	145.5 Å²	145.5	92%	0.923	77%	0.771	S	S	*	*			trans	83.2	127.5	168	-51.8	163.3	0	0	0	115
605	G	24.8	Very low	27.7	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	77%	0.768	S	S	*	*			trans	174.5	43.2	-179.6	0	0	0	0	0	120.5
606	S	25.7	Very low	27.6	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	77%	0.768	S	S	*	*			trans	63.8	139.5	163.8	-156.4	0	0	0	0	121.8
607	T	30.8	Very low	27.7	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	77%	0.77	S	S	*	*			trans	-69.1	169.4	156.7	44.9	0	0	0	0	112.5
608	V	29.6	Very low	27.7	Very low	121 Å²	121	143.6 Å²	143.6	73%	0.733	77%	0.768	S	S	*	*				174.6	137	120.1	147.1	0	0	0	0	115.4
609	L	27.8	Very low	27.8	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	75%	0.753	S	S	*	*			trans	80.3	168.1	155.4	-90.3	168.3	0	0	0	124.7
610	F	25.6	Very low	27.9	Very low	189 Å²	189	139.8 Å²	139.8	83%	0.829	75%	0.748	S	S	*	*			trans	-147.3	-178.7	-156.1	-120.2	-87.6	0	0	0	108.5
611	R	27.3	Very low	27.9	Very low	210 Å²	210	141.5 Å²	141.5	79%	0.792	75%	0.749	S	S	*	*			trans	84.3	159.7	171.7	-57.8	-75.3	-165.4	-179.8	4.3	115.6
612	M	26.5	Very low	27.8	Very low	139 Å²	139	137.8 Å²	137.8	69%	0.685	75%	0.745	S	S	*	*			cis	176.3	154.8	-42.9	-126.1	177.8	162.1	0	0	108.9
613	K	27.8	Very low	27.7	Very low	154 Å²	154	135.5 Å²	135.5	67%	0.67	74%	0.742	S	S	*	*			trans	73.9	145.7	146.6	-93.5	-173.3	141.5	-73.1	0	121.2
614	D	25.8	Very low	27.5	Very low	112 Å²	112	137.8 Å²	137.8	60%	0.599	75%	0.748	S	S	*	*			trans	68.8	146.2	141.4	-59.3	-2.5	0	0	0	118.9
615	D	25.3	Very low	27.4	Very low	125 Å²	125	134.1 Å²	134.1	67%	0.668	74%	0.737	S	S	*	*			cis	-158.8	164.8	-9.1	-141.5	-57.6	0	0	0	111
616	S	28.8	Very low	27.5	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	74%	0.743	S	S	*	*			trans	54.3	163.9	143	-78.1	0	0	0	0	121.9
617	R	29.4	Very low	27.6	Very low	211 Å²	211	137.8 Å²	137.8	80%	0.796	74%	0.739	S	S	*	*			cis	-173.7	174.7	-23.6	178.8	178.1	157.6	164.5	-3.8	107.8
618	E	27.3	Very low	27.6	Very low	159 Å²	159	136.9 Å²	136.9	74%	0.743	74%	0.737	S	S	*	*			trans	90.1	149.8	161.8	-52.4	-162.2	157.2	0	0	118.3
619	S	28.5	Very low	27.7	Very low	82 Å²	82	137.8 Å²	137.8	57%	0.573	74%	0.738	S	S	*	*				159.7	160.6	-59.6	66.5	0	0	0	0	111
620	N	28.2	Very low	27.8	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	74%	0.735	S	S	*	*			trans	71	146.9	166.5	-71.4	-78	0	0	0	116.4
621	K	29.8	Very low	27.9	Very low	196 Å²	196	135.7 Å²	135.7	85%	0.852	73%	0.729	S	S	*	*			cis	-145.2	165.2	-1.4	-97.2	137.2	-174.2	175.8	0	107.6
622	G	26.5	Very low	27.7	Very low	66 Å²	66	132.8 Å²	132.8	68%	0.68	72%	0.724	S	S	*	*			cis	161.7	-170	1.3	0	0	0	0	0	110.9
623	S	25.9	Very low	27.7	Very low	124 Å²	124	133.3 Å²	133.3	87%	0.867	73%	0.725	S	S	*	*			trans	78.1	141.9	174.3	-149.1	0	0	0	0	116.7
624	V	26.9	Very low	27.7	Very low	133 Å²	133	131.5 Å²	131.5	81%	0.806	72%	0.723	S	S	*	*			cis	-155.1	160.5	-20.1	125.4	0	0	0	0	108.4
625	C	26.7	Very low	27.9	Very low	103 Å²	103	131.9 Å²	131.9	70%	0.696	73%	0.729	S	S	*	*			trans	-83.1	152.3	-179.2	-47	0	0	0	0	114.4
626	N	27.5	Very low	28.2	Very low	161 Å²	161	130.4 Å²	130.4	86%	0.861	73%	0.729	S	S	*	*				171.3	174.2	110.1	-91.3	-16.9	0	0	0	115.8
627	S	27.1	Very low	28.2	Very low	101 Å²	101	132 Å²	132	71%	0.706	73%	0.734	S	S	*	*			trans	-85.8	168.8	-160.4	-40	0	0	0	0	118.2
628	S	31.5	Very low	28.4	Very low	101 Å²	101	126 Å²	126	71%	0.706	73%	0.725	S	S	*	*			trans	89.5	131.8	140	-63	0	0	0	0	122.4
629	N	31.4	Very low	28.2	Very low	140 Å²	140	129.2 Å²	129.2	75%	0.749	73%	0.731	S	S	*	*			trans	62	103.2	136.4	-61.6	3.2	0	0	0	122.4
630	Q	31	Very low	28.2	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	74%	0.737	S	S	*	*				65.3	126.8	105.1	-171.5	175.1	59.3	0	0	121.8
631	I	26.3	Very low	28.5	Very low	137 Å²	137	131.5 Å²	131.5	70%	0.703	73%	0.733	S	S	*	*			trans	86.5	143.2	156.1	-78.9	166.3	0	0	0	120.1
632	H	24.3	Very low	29	Very low	148 Å²	148	129.7 Å²	129.7	69%	0.685	73%	0.725	S	S	*	*			trans	60.6	123.1	179.7	-90.9	-74.5	0	0	0	117.1
633	E	26.6	Very low	29.6	Very low	150 Å²	150	133.8 Å²	133.8	70%	0.701	73%	0.73	S	S	*	*			cis	83.4	138	25.7	-157.8	-157.8	-115	0	0	115.2
634	N	28	Very low	30	Very low	117 Å²	117	135 Å²	135	63%	0.626	72%	0.72	S	S	*	*			trans	88.7	143	167.5	-66.5	-39.6	0	0	0	119.6
635	V	29.5	Very low	30.5	Very low	119 Å²	119	132.3 Å²	132.3	72%	0.721	71%	0.712	S	S	*	*			cis	-167.9	-166.6	-19	80.5	0	0	0	0	111.3
636	S	30.9	Very low	30.6	Very low	95 Å²	95	134.1 Å²	134.1	66%	0.664	71%	0.71	S	S	*	*			trans	83.1	152.5	156.7	22.7	0	0	0	0	120
637	T	29.2	Very low	31.1	Very low	129 Å²	129	134 Å²	134	79%	0.791	70%	0.702	S	S	*	*			cis	-161.5	177.3	1	19.9	0	0	0	0	109.2
638	S	33	Very low	31.1	Very low	85 Å²	85	136 Å²	136	59%	0.594	70%	0.699	S	S	*	*				-179.5	128.2	-51.5	58.9	0	0	0	0	110.9
639	Y	22.7	Very low	32.8	Very low	226 Å²	226	136.4 Å²	136.4	89%	0.886	70%	0.7	S	S	*	*			trans	-155.5	161.4	172.6	-95.6	-91.7	0	0	0	111.1
640	L	29.5	Very low	32.8	Very low	132 Å²	132	138 Å²	138	69%	0.691	70%	0.7	S	S	*	*				-175.4	154.8	-51.4	-132.6	57.9	0	0	0	109.5
641	E	35.3	Very low	32.9	Very low	131 Å²	131	137.3 Å²	137.3	61%	0.612	70%	0.697	S	S	*	*			cis	-169.4	133.5	-41.8	-176.1	173	86.5	0	0	113.3
642	K	39.7	Very low	33.1	Very low	157 Å²	157	134.6 Å²	134.6	68%	0.683	70%	0.695	S	S	*	*			trans	63.7	171.7	155.2	-72.9	168.4	-158	152.3	0	120
643	L	39.2	Very low	33.3	Very low	153 Å²	153	135.9 Å²	135.9	80%	0.801	70%	0.702	S	S	*	*			cis	-143.8	-161.1	-14.8	-117.9	166.2	0	0	0	106.6
644	K	33.9	Very low	34.3	Very low	150 Å²	150	133.3 Å²	133.3	65%	0.652	70%	0.698	S	S	*	*			cis	-149.9	-176.2	8.3	-145.9	-164.8	175.8	-164.2	0	106.1	E646	K644-E646 VanDerWaalsContact CE-OE2 3.29Å; K644-E646 WeakPolarHBondContact CE-OE2 3.48Å; K644-E646 IonicContact NZ-OE1 2.94Å; K644-E646 PolarHBondContact NZ-OE1 2.81Å; K644-E646 IonicContact NZ-OE2 2.64Å; K644-E646 PolarHBondContact NZ-OE2 3.02Å
645	A	36.5	Very low	34.2	Very low	76 Å²	76	133.7 Å²	133.7	63%	0.628	70%	0.704	S	S	*	*			cis	-167.8	177.3	8.2	0	0	0	0	0	109.7
646	E	29.1	Very low	34	Very low	141 Å²	141	135.3 Å²	135.3	66%	0.659	71%	0.709	S	S	*	*			cis	-153.2	-38.8	-8.4	-154.8	139.4	171.9	0	0	115.3	K644	K644-E646 VanDerWaalsContact CE-OE2 3.29Å; K644-E646 WeakPolarHBondContact CE-OE2 3.48Å; K644-E646 IonicContact NZ-OE1 2.94Å; K644-E646 PolarHBondContact NZ-OE1 2.81Å; K644-E646 IonicContact NZ-OE2 2.64Å; K644-E646 PolarHBondContact NZ-OE2 3.02Å
647	K	37.8	Very low	35.2	Very low	159 Å²	159	135.3 Å²	135.3	69%	0.691	71%	0.707	S	S	*	*			trans	-145.5	164.7	-163.1	-76.2	-179.1	153.1	-74.5	0	111.6
648	E	28.3	Very low	35.1	Very low	141 Å²	141	136.9 Å²	136.9	66%	0.659	71%	0.705	S	S	*	*			cis	-143	144.1	5.4	-159.6	71.7	-70.9	0	0	110.2
649	P	65.8	Low	34.8	Very low	111 Å²	111	140.6 Å²	140.6	72%	0.721	71%	0.71	S	S	*	*			trans	-102.6	137	-167.5	36.6	-34.3	0	0	0	117.4
650	K	32.8	Very low	35	Very low	172 Å²	172	138.9 Å²	138.9	75%	0.748	70%	0.702	S	S	*	*			trans	-169.8	163.2	168.6	-99.3	-164	-178.7	-71.4	0	107.9
651	E	31.7	Very low	34.8	Very low	155 Å²	155	139.4 Å²	139.4	72%	0.724	70%	0.701	S	S	*	*			cis	-168.8	175	-25.2	-135.8	153.4	47.8	0	0	105.5
652	A	30.9	Very low	34.5	Very low	80 Å²	80	142.5 Å²	142.5	66%	0.661	71%	0.707	S	S	*	*			cis	-145.1	-127.1	6.2	0	0	0	0	0	111.4
653	Q	27.9	Very low	33.8	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	71%	0.706	S	S	*	*			trans	-158.4	169.9	-167.5	-77.8	-61.5	-10.5	0	0	111.9
654	P	48.3	Very low	33.1	Very low	95 Å²	95	139 Å²	139	62%	0.617	71%	0.705	S	S	*	*			cis	-141.1	-174.7	-20.1	32.9	-10.1	0	0	0	117
655	T	25.5	Very low	32.7	Very low	125 Å²	125	136.6 Å²	136.6	77%	0.767	71%	0.707	S	S	*	*			trans	75.7	113.6	144.9	39	0	0	0	0	126.3
656	D	25.7	Very low	32.2	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	72%	0.717	S	S	*	*				72.2	170.6	117.4	-102.1	24.5	0	0	0	124.2
657	P	55.9	Low	32	Very low	95 Å²	95	137.2 Å²	137.2	62%	0.617	72%	0.722	S	S	*	*			trans	-140.1	-161.2	-137.6	42.6	-18.8	0	0	0	117.8
658	H	27.2	Very low	31.4	Very low	162 Å²	162	133.7 Å²	133.7	75%	0.75	72%	0.718	S	S	*	*			trans	83.2	138.1	155.1	-88.5	-45.8	0	0	0	123.6
659	K	27.8	Very low	31.3	Very low	163 Å²	163	135.8 Å²	135.8	71%	0.709	73%	0.728	S	S	*	*			trans	82	132.7	137.1	-79.6	174.7	179.9	172.1	0	124
660	R	25.7	Very low	29.5	Very low	190 Å²	190	133.5 Å²	133.5	72%	0.717	72%	0.724	S	S	*	*			trans	83.4	128	130.1	-83.9	-175	147.8	165.2	-10.8	124.4
661	E	25.9	Very low	29.3	Very low	143 Å²	143	133.4 Å²	133.4	67%	0.668	73%	0.732	S	S	*	*				64.8	126.3	127.5	-68.2	163.9	-171.3	0	0	122.8
662	R	28.2	Very low	29.3	Very low	196 Å²	196	132.9 Å²	132.9	74%	0.74	73%	0.733	S	S	*	*				128.6	115.2	111.4	-153.9	151	-165.1	-128.5	-18.8	119.5
663	E	26.1	Very low	29.3	Very low	142 Å²	142	134.1 Å²	134.1	66%	0.664	73%	0.733	S	S	*	*			trans	51	148	141.9	-67.2	161.3	-150.1	0	0	125.4
664	A	24.9	Very low	29.3	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	73%	0.73	S	S	*	*			trans	71.2	153.8	144	0	0	0	0	0	120.7
665	S	25	Very low	28.3	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	74%	0.741	S	S	*	*			cis	-171.2	139	-25.2	54.6	0	0	0	0	112.4
666	V	26.5	Very low	28.4	Very low	136 Å²	136	138.4 Å²	138.4	82%	0.824	74%	0.735	S	S	*	*			trans	48.8	133.7	136.1	-179.3	0	0	0	0	121.7
667	A	24.3	Very low	28.6	Very low	94 Å²	94	137 Å²	137	78%	0.777	74%	0.736	S	S	*	*			trans	68.6	167.9	157	0	0	0	0	0	118.7
668	S	25.5	Very low	27.4	Very low	85 Å²	85	137 Å²	137	59%	0.594	74%	0.743	S	S	*	*			cis	-172.8	140.3	-38.9	-170.3	0	0	0	0	107.9
669	E	25.6	Very low	27.5	Very low	185 Å²	185	136.8 Å²	136.8	86%	0.864	75%	0.747	S	S	*	*			trans	57.8	162.8	171.3	-67.2	139.5	123.7	0	0	116.1
670	G	27.3	Very low	27.5	Very low	62 Å²	62	137.6 Å²	137.6	64%	0.639	75%	0.751	S	S	*	*			cis	173.3	131.6	-11.6	0	0	0	0	0	110.9
671	D	30.2	Very low	27.6	Very low	171 Å²	171	135.5 Å²	135.5	91%	0.914	75%	0.754	S	S	*	*			trans	56.7	165.8	170.1	-56.7	-22.4	0	0	0	116.5
672	D	30.5	Very low	27.7	Very low	143 Å²	143	131.7 Å²	131.7	77%	0.765	75%	0.753	S	S	*	*			cis	-160.5	-172.2	34.4	179.7	24.6	0	0	0	110.9
673	V	31.6	Very low	27.6	Very low	106 Å²	106	132.1 Å²	132.1	64%	0.642	76%	0.76	S	S	*	*			trans	93.6	77.2	159.7	-161.7	0	0	0	0	118.3
674	Q	27.5	Very low	27.4	Very low	164 Å²	164	130.6 Å²	130.6	77%	0.766	77%	0.765	S	S	*	*				51.9	108.2	123.3	-60.9	176.1	1.6	0	0	121
675	Y	27.5	Very low	27.5	Very low	218 Å²	218	131.6 Å²	131.6	86%	0.855	76%	0.761	S	S	*	*				-177.7	148.7	125.5	-114.7	-134	0	0	0	110.2
676	V	28.1	Very low	27.4	Very low	104 Å²	104	133.2 Å²	133.2	63%	0.63	76%	0.762	S	S	*	*			cis	-164.3	161.3	-21.7	64.5	0	0	0	0	109.1
677	C	29.1	Very low	27.3	Very low	125 Å²	125	133.5 Å²	133.5	85%	0.845	76%	0.759	S	S	*	*			trans	69.2	138.7	-178	-66.5	0	0	0	0	116
678	A	31.9	Very low	27.3	Very low	93 Å²	93	134.7 Å²	134.7	77%	0.769	76%	0.756	S	S	*	*			trans	-160.6	158.4	-167	0	0	0	0	0	112.8
679	L	28.1	Very low	27.4	Very low	158 Å²	158	140 Å²	140	83%	0.827	76%	0.763	S	S	*	*				162.7	144.1	128.6	-90.9	164.6	0	0	0	112.5
680	K	28.2	Very low	27.4	Very low	181 Å²	181	138.1 Å²	138.1	79%	0.787	75%	0.754	S	S	*	*			trans	68.2	154.7	155.8	-75.3	-167.9	172.8	-174.2	0	118.7
681	D	27.7	Very low	27.2	Very low	146 Å²	146	140 Å²	140	78%	0.781	76%	0.757	S	S	*	*			cis	-169.2	175.2	-31.1	-136.8	-41.4	0	0	0	109.2
682	G	27.8	Very low	26.8	Very low	63 Å²	63	136.9 Å²	136.9	65%	0.649	74%	0.744	S	S	*	*			trans	89.6	99	137.8	0	0	0	0	0	121.3
683	K	27.2	Very low	26.6	Very low	205 Å²	205	137.8 Å²	137.8	89%	0.891	74%	0.744	S	S	*	*				0.5	134.5	123.4	-86	179.4	173.9	175.7	0	119.5
684	S	21.6	Very low	26.3	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	74%	0.742	S	S	*	*				69.9	169	116.4	-156.6	0	0	0	0	121.9
685	V	25.7	Very low	26.2	Very low	114 Å²	114	139.7 Å²	139.7	69%	0.691	74%	0.742	S	S	*	*			trans	82.6	102.6	161.8	-167.2	0	0	0	0	119.4
686	N	23.4	Very low	26.2	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	74%	0.737	S	S	*	*			trans	38	135.2	131.9	-53.4	-10	0	0	0	123.6
687	N	23.8	Very low	26.2	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	75%	0.746	S	S	*	*			trans	78.1	123.5	136.1	-75.7	-17	0	0	0	121.5
688	V	26	Very low	26	Very low	120 Å²	120	143.8 Å²	143.8	73%	0.727	74%	0.744	S	S	*	*			trans	58.4	113.3	133.4	-177	0	0	0	0	115.2
689	R	27.5	Very low	25.6	Very low	196 Å²	196	146.8 Å²	146.8	74%	0.74	74%	0.742	S	S	*	*				-166.9	-166.8	63	-149.6	-174.6	-97.2	-170.4	-4.9	111.8
690	E	24.4	Very low	25.3	Very low	145 Å²	145	146.5 Å²	146.5	68%	0.678	74%	0.738	S	S	*	*			trans	26.8	143	140.8	-82.4	158.3	-177.1	0	0	119.9
691	C	22.5	Very low	25.2	Very low	103 Å²	103	143.6 Å²	143.6	70%	0.696	74%	0.736	S	S	*	*			cis	-177.9	174.1	-15.7	-121	0	0	0	0	107.3
692	T	23.3	Very low	24.9	Very low	104 Å²	104	143.4 Å²	143.4	64%	0.638	73%	0.734	S	S	*	*			trans	25.2	120.5	148	62	0	0	0	0	120.4
693	E	24.9	Very low	24.8	Very low	162 Å²	162	145.7 Å²	145.7	76%	0.757	74%	0.741	S	S	*	*				69.8	156.3	125.7	-65.9	-177.5	-155.9	0	0	119.1
694	N	26	Very low	24.8	Very low	116 Å²	116	143.9 Å²	143.9	62%	0.62	74%	0.735	S	S	*	*			cis	-156	162.4	-4.4	-125.9	-36.3	0	0	0	108.7
695	Y	26.5	Very low	24.9	Very low	194 Å²	194	147.2 Å²	147.2	76%	0.761	74%	0.739	S	S	*	*				170	120.1	120.2	-101.3	-64.1	0	0	0	114.7
696	K	27.1	Very low	25.3	Very low	169 Å²	169	151.2 Å²	151.2	74%	0.735	75%	0.747	S	S	*	*			trans	65.8	137.7	160.7	-66.3	140.6	-176.1	167.1	0	115.5
697	H	28.2	Very low	25.8	Very low	178 Å²	178	150.3 Å²	150.3	82%	0.824	75%	0.748	S	S	*	*			cis	-137	159.2	13.4	-134.8	90.8	0	0	0	113.6
698	K	25.4	Very low	25.9	Very low	186 Å²	186	149.9 Å²	149.9	81%	0.809	75%	0.745	S	S	*	*			trans	-79.9	161.4	175	-87	-172.4	176.7	-176.5	0	111.5
699	H	22.1	Very low	25.9	Very low	157 Å²	157	151.4 Å²	151.4	73%	0.727	75%	0.749	S	S	*	*			cis	-176.4	169.5	-10.6	-177.9	-109.1	0	0	0	110.1
700	M	22.1	Very low	25.9	Very low	151 Å²	151	148.3 Å²	148.3	74%	0.744	75%	0.747	S	S	*	*			trans	83.1	165.9	154.5	-121	162.9	82.8	0	0	121.1
701	V	25.7	Very low	26.3	Very low	121 Å²	121	146.3 Å²	146.3	73%	0.733	75%	0.749	S	S	*	*			trans	69.5	96.9	-170.5	-169.6	0	0	0	0	111.6
702	D	22.5	Very low	26.8	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	75%	0.749	S	S	*	*			cis	65.5	104	19.6	-164	17.2	0	0	0	114.8
703	S	25.6	Very low	26.9	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	76%	0.757	S	S	*	*			trans	-163	82.4	173.2	-75.2	0	0	0	0	109.9
704	Q	25.9	Very low	27.3	Very low	167 Å²	167	142.6 Å²	142.6	78%	0.78	75%	0.749	S	S	*	*			trans	-74.6	166	157.2	-158	177.7	-0.9	0	0	109.5
705	E	23.6	Very low	27.6	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	76%	0.755	S	S	*	*			trans	83.4	160.7	160.2	-51	-146.8	115.5	0	0	121.4
706	K	36	Very low	27.8	Very low	198 Å²	198	140 Å²	140	86%	0.861	75%	0.752	S	S	*	*			trans	-91.4	173.1	177.1	-73.9	170.4	-178.9	169.9	0	107.9
707	P	32.3	Very low	28	Very low	115 Å²	115	138.7 Å²	138.7	75%	0.747	75%	0.748	S	S	*	*			cis	-152.9	178.5	33.4	43.5	-21.3	0	0	0	120
708	L	26	Very low	27.8	Very low	132 Å²	132	135.7 Å²	135.7	69%	0.691	75%	0.746	S	S	*	*			trans	2.2	132.4	149.5	-62.7	165	0	0	0	119.5	L710	L708-L710 HydrophobicContact CD2-CD1 3.93Å; L708-L710 HydrophobicContact CD2-CG 4.31Å
709	N	26.3	Very low	27.8	Very low	152 Å²	152	131 Å²	131	81%	0.813	74%	0.737	S	S	*	*				-171	127.8	108.1	-94	-50.1	0	0	0	107.6
710	L	27.8	Very low	28.1	Very low	131 Å²	131	130 Å²	130	69%	0.686	74%	0.741	S	S	*	*			cis	57.7	128.6	44.3	-59.6	-175.9	0	0	0	113.7	L708	L708-L710 HydrophobicContact CD2-CD1 3.93Å; L708-L710 HydrophobicContact CD2-CG 4.31Å
711	S	32.3	Very low	28.2	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	74%	0.742	S	S	*	*			cis	-137.3	-114.7	-14.4	46.3	0	0	0	0	111.9
712	V	32.9	Very low	28.8	Very low	115 Å²	115	128.4 Å²	128.4	70%	0.697	75%	0.745	S	S	*	*			cis	-141.3	143.2	6.5	-175	0	0	0	0	108.4	T714	V712-T714 HydrophobicContact CG1-CG2 4.01Å
713	G	26.3	Very low	29	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	74%	0.744	S	S	*	*			trans	-161.4	34.1	179	0	0	0	0	0	113.6
714	T	32.2	Very low	29.5	Very low	98 Å²	98	126.9 Å²	126.9	60%	0.601	75%	0.747	S	S	*	*			trans	-35.7	156.1	178.9	34.8	0	0	0	0	117.5	V712	V712-T714 HydrophobicContact CG1-CG2 4.01Å
715	S	32.2	Very low	30	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	75%	0.754	S	S	*	*			cis	-157.2	140.5	14.5	20.4	0	0	0	0	110.2
716	Q	32.2	Very low	30.5	Very low	150 Å²	150	125.1 Å²	125.1	70%	0.701	75%	0.746	S	S	*	*			cis	80.6	129.8	43.8	-175	172.7	7.9	0	0	112.4
717	E	29.8	Very low	30.9	Very low	141 Å²	141	124 Å²	124	66%	0.659	75%	0.748	S	S	*	*			cis	-128.8	-122.5	4.5	-151.3	-177.1	-86.4	0	0	113
718	C	25.8	Very low	31.6	Very low	116 Å²	116	125.2 Å²	125.2	78%	0.784	75%	0.748	S	S	*	*			cis	-166.4	142.1	0.6	-155.7	0	0	0	0	108.9
719	S	24.6	Very low	32.7	Very low	88 Å²	88	122.7 Å²	122.7	62%	0.615	75%	0.746	S	S	*	*			cis	-146.5	170.6	-16.4	61.4	0	0	0	0	109.1
720	V	27.8	Very low	34.3	Very low	134 Å²	134	118 Å²	118	81%	0.812	72%	0.724	S	S	*	*			trans	-129.9	131.1	169.2	173.2	0	0	0	0	110
721	V	25.6	Very low	36.2	Very low	125 Å²	125	114 Å²	114	76%	0.758	71%	0.705	S	S	*	*			trans	-98.7	119.2	165.9	174.6	0	0	0	0	109
722	S	38.1	Very low	38.5	Very low	114 Å²	114	112.5 Å²	112.5	80%	0.797	69%	0.692	S	S	*	*			trans	-76.4	133.5	167.7	-70.7	0	0	0	0	110.4
723	T	26.4	Very low	40.9	Very low	120 Å²	120	107.3 Å²	107.3	74%	0.736	66%	0.66	S	S	*	*			trans	-144	127.9	164.2	-50.5	0	0	0	0	108.3	R725	T723-R725 PolarHBondContact O-N 2.86Å
724	A	36.2	Very low	43.4	Very low	102 Å²	102	108.1 Å²	108.1	84%	0.843	65%	0.652	S	S	*	*			trans	-64.3	118.1	-178.5	0	0	0	0	0	110.7
725	R	36.2	Very low	45.5	Very low	244 Å²	244	108.6 Å²	108.6	92%	0.921	65%	0.645	S	S	*	*			trans	-97.4	130.5	158.1	-66.2	-177.6	179.9	177.2	0.5	106.9	T723	T723-R725 PolarHBondContact O-N 2.86Å
726	G	33.1	Very low	48	Very low	66 Å²	66	105.9 Å²	105.9	68%	0.68	63%	0.626	S	S	*	*			cis	95.2	88.6	17.4	0	0	0	0	0	109.6
727	L	44.2	Very low	50.5	Low	174 Å²	174	105.4 Å²	105.4	91%	0.911	63%	0.634	S	S	*	*			trans	43.7	80.6	168.5	-61.7	172.5	0	0	0	115.8	A729	L727-A729 PolarHBondContact O-N 3.44Å; L727-A729 VanDerWaalsContact O-N 3.14Å
728	L	47.2	Very low	53.1	Low	141 Å²	141	102.4 Å²	102.4	74%	0.738	62%	0.617	S	S	*	*			trans	-63.9	110.9	154.3	-69.9	177.8	0	0	0	108.2	F741	L728-F741 VanDerWaalsContact O-CD1 3.3Å; L728-F741 WeakPolarHBondContact O-CD1 3.34Å; L728-F741 WeakPolarHBondContact O-CE1 3.35Å
729	A	49.9	Very low	55.9	Low	79 Å²	79	104.9 Å²	104.9	65%	0.653	61%	0.61	S	S	*	*			trans	-63.6	135.6	176.5	0	0	0	0	0	110.3	L727 T731	L727-A729 PolarHBondContact O-N 3.44Å; L727-A729 VanDerWaalsContact O-N 3.14Å; A729-T731 PolarHBondContact O-N 3.08Å; A729-T731 VanDerWaalsContact O-N 3.1Å
730	P	59	Low	58.7	Low	53 Å²	53	101.4 Å²	101.4	34%	0.344	59%	0.585	S	S	.	*			trans	-65.5	114.3	-178.7	25.1	-32.4	0	0	0	110.3	T732 F741	P730-T732 WeakPolarHBondContact O-CG2 3.33Å; P730-T732 PolarHBondContact O-N 3.32Å; P730-F741 HydrophobicContact CB-CD1 4.09Å; P730-F741 HydrophobicContact CB-CE1 3.68Å; P730-F741 HydrophobicContact CB-CE2 4.46Å; P730-F741 HydrophobicContact CB-CZ 3.89Å; P730-F741 HydrophobicContact CG-CE1 4.15Å; P730-F741 HydrophobicContact CG-CZ 4.39Å
731	T	68.7	Low	61.4	Low	47 Å²	47	100.5 Å²	100.5	29%	0.288	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.2	124.6	177.4	63.3	0	0	0	0	110	A729 R739 T740	A729-T731 PolarHBondContact O-N 3.08Å; A729-T731 VanDerWaalsContact O-N 3.1Å; T731-R739 WeakPolarHBondContact O-CA 3.17Å; T731-T740 WeakPolarHBondContact CA-O 3.19Å; T731-T740 PolarHBondContact N-O 2.82Å; T731-T740 PolarHBondContact O-N 3.23Å; T731-T740 PolarHBondContact OG1-O 3.06Å
732	T	79.3	Confident	63.9	Low	72 Å²	72	102.4 Å²	102.4	44%	0.442	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	143.1	-174.3	65.3	0	0	0	0	110.9	P730 R739	P730-T732 WeakPolarHBondContact O-CG2 3.33Å; P730-T732 PolarHBondContact O-N 3.32Å; T732-R739 HydrophobicContact CG2-CG 3.78Å
733	C	84.9	Confident	65.8	Low	6 Å²	6	100.8 Å²	100.8	4%	0.041	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-64.8	129.7	170.2	-168.6	0	0	0	0	109.8	F735 Y738 L746 H754	C733-F735 PolarHBondContact O-N 3.25Å; C733-Y738 PolarHBondContact N-O 3.35Å; C733-L746 HydrophobicContact CB-CD1 3.93Å; C733-H754 VanDerWaalsContact SG-CD2 3.57Å
734	P	78.3	Confident	68.6	Low	95 Å²	95	102 Å²	102	62%	0.617	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6	174.9	30.9	-34.2	0	0	0	112.5	Q750	P734-Q750 VanDerWaalsContact CD-NE2 3.34Å
735	F	75.4	Confident	70.9	Confident	107 Å²	107	100 Å²	100	47%	0.469	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-9.2	-175.9	-51.2	-63.9	0	0	0	114.2	C733 Q750 H754 Y756	C733-F735 PolarHBondContact O-N 3.25Å; F735-Q750 HydrophobicContact CD2-CG 4.44Å; F735-H754 HydrophobicContact CB-CB 4.35Å; F735-H754 WeakPolarHBondContact CB-ND1 3.42Å; F735-H754 HydrophobicContact CD2-CB 4.06Å; F735-H754 HydrophobicContact CG-CB 4.39Å; F735-H754 PolarHBondContact O-CE1 3.16Å; F735-Y756 AromaticContact CE2-CD2 3.65Å; F735-Y756 HydrophobicContact CE2-CD2 3.65Å; F735-Y756 HydrophobicContact CE2-CE2 4.25Å; F735-Y756 AromaticContact CE2-CG 3.86Å; F735-Y756 HydrophobicContact CE2-CG 3.86Å; F735-Y756 AromaticContact CZ-CD2 3.7Å; F735-Y756 HydrophobicContact CZ-CD2 3.7Å; F735-Y756 HydrophobicContact CZ-CE2 4.05Å; F735-Y756 HydrophobicContact CZ-CG 4.38Å
736	C	86.1	Confident	73.2	Confident	50 Å²	50	89.2 Å²	89.2	34%	0.338	49%	0.486	S	S	.	.	S	Bend	trans	-162.3	-179.9	175.1	74.6	0	0	0	0	112.5	Y738 H749 H754	C736-Y738 PolarHBondContact O-N 3.27Å; C736-Y738 VanDerWaalsContact SG-CB 3.51Å; C736-Y738 PolarHBondContact SG-N 2.95Å; C736-Y738 VanDerWaalsContact SG-N 3.43Å; C736-H749 PolarHBondContact SG-NE2 2.81Å; C736-H754 PolarHBondContact SG-NE2 3.44Å
737	T	83.5	Confident	75.4	Confident	140 Å²	140	88.8 Å²	88.8	86%	0.859	47%	0.467	S	S	*	.	S	Bend	trans	-71.9	-1.9	-179.4	49.5	0	0	0	0	115.4	R739	T737-R739 PolarHBondContact O-N 2.96Å
738	Y	84.5	Confident	77.2	Confident	78 Å²	78	84.9 Å²	84.9	31%	0.306	45%	0.447	S	S	.	.			trans	-62.5	134.7	-179.8	-176.4	-102.9	0	0	0	112.1	C733 C736 T740 V745 L746 H749	C733-Y738 PolarHBondContact N-O 3.35Å; C736-Y738 PolarHBondContact O-N 3.27Å; C736-Y738 VanDerWaalsContact SG-CB 3.51Å; C736-Y738 PolarHBondContact SG-N 2.95Å; C736-Y738 VanDerWaalsContact SG-N 3.43Å; Y738-T740 HydrophobicContact CE1-CG2 3.72Å; Y738-V745 VanDerWaalsContact OH-CG1 3.31Å; Y738-V745 WeakPolarHBondContact OH-CG1 3.45Å; Y738-L746 HydrophobicContact CD1-CD1 3.87Å; Y738-L746 HydrophobicContact CE1-CD1 4.22Å; Y738-H749 VanDerWaalsContact CB-CE1 3.41Å; Y738-H749 WeakPolarHBondContact CB-CE1 3.35Å; Y738-H749 WeakPolarHBondContact CB-NE2 3.48Å; Y738-H749 HydrophobicContact CD1-CB 3.92Å; Y738-H749 AromaticContact CD1-CD2 3.58Å; Y738-H749 AromaticContact CD1-CE1 3.87Å; Y738-H749 AromaticContact CD1-CG 3.4Å; Y738-H749 AromaticContact CD1-ND1 3.6Å; Y738-H749 AromaticContact CD1-NE2 3.89Å; Y738-H749 AromaticContact CD2-CE1 3.98Å; Y738-H749 AromaticContact CD2-ND1 3.83Å; Y738-H749 HydrophobicContact CE1-CB 3.73Å; Y738-H749 AromaticContact CE1-CG 3.72Å; Y738-H749 AromaticContact CE1-ND1 3.99Å; Y738-H749 AromaticContact CG-CD2 3.96Å; Y738-H749 AromaticContact CG-CE1 3.48Å; Y738-H749 VanDerWaalsContact CG-CE1 3.48Å; Y738-H749 AromaticContact CG-CG 3.82Å; Y738-H749 AromaticContact CG-ND1 3.51Å; Y738-H749 AromaticContact CG-NE2 3.77Å
739	R	84.8	Confident	79.2	Confident	168 Å²	168	79.6 Å²	79.6	63%	0.634	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.3	177.6	-54.7	-166.7	169.7	178.7	-6	110	T731 T732 T737	T731-R739 WeakPolarHBondContact O-CA 3.17Å; T732-R739 HydrophobicContact CG2-CG 3.78Å; T737-R739 PolarHBondContact O-N 2.96Å
740	T	84.3	Confident	80.7	Confident	15 Å²	15	76.5 Å²	76.5	9%	0.092	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	149.7	173.9	177.5	0	0	0	0	110.9	T731 Y738 Y742 V745 L746	T731-T740 WeakPolarHBondContact CA-O 3.19Å; T731-T740 PolarHBondContact N-O 2.82Å; T731-T740 PolarHBondContact O-N 3.23Å; T731-T740 PolarHBondContact OG1-O 3.06Å; Y738-T740 HydrophobicContact CE1-CG2 3.72Å; T740-Y742 WeakPolarHBondContact CG2-O 3.41Å; T740-Y742 PolarHBondContact OG1-N 3.34Å; T740-Y742 VanDerWaalsContact OG1-N 3.15Å; T740-V745 HydrophobicContact CG2-CB 4.38Å; T740-L746 HydrophobicContact CG2-CB 3.62Å; T740-L746 HydrophobicContact CG2-CD1 4.3Å; T740-L746 HydrophobicContact CG2-CG 4.46Å
741	F	83.8	Confident	81.8	Confident	114 Å²	114	80 Å²	80	50%	0.5	40%	0.396	S	S	.	.	S	Bend	trans	-81.1	-5.7	173.5	-62.2	-83.4	0	0	0	112.8	L728 P730	L728-F741 VanDerWaalsContact O-CD1 3.3Å; L728-F741 WeakPolarHBondContact O-CD1 3.34Å; L728-F741 WeakPolarHBondContact O-CE1 3.35Å; P730-F741 HydrophobicContact CB-CD1 4.09Å; P730-F741 HydrophobicContact CB-CE1 3.68Å; P730-F741 HydrophobicContact CB-CE2 4.46Å; P730-F741 HydrophobicContact CB-CZ 3.89Å; P730-F741 HydrophobicContact CG-CE1 4.15Å; P730-F741 HydrophobicContact CG-CZ 4.39Å
742	Y	77.9	Confident	82.6	Confident	166 Å²	166	83.5 Å²	83.5	65%	0.651	41%	0.413	S	S	*	.			trans	-115.8	109.1	-175.1	-60.4	-76.8	0	0	0	111.6	T740 E744 V745 L746	T740-Y742 WeakPolarHBondContact CG2-O 3.41Å; T740-Y742 PolarHBondContact OG1-N 3.34Å; T740-Y742 VanDerWaalsContact OG1-N 3.15Å; Y742-E744 VanDerWaalsContact C-N 3.3Å; Y742-E744 PolarHBondContact O-N 3.29Å; Y742-V745 PolarHBondContact O-N 3.36Å; Y742-V745 VanDerWaalsContact O-N 3.1Å; Y742-L746 PolarHBondContact O-N 2.79Å
743	P	78.8	Confident	82.5	Confident	80 Å²	80	86.1 Å²	86.1	52%	0.519	42%	0.421	S	S	.	.	H	α-helix	trans	-57.7	-36	-177.6	-28.1	36.2	0	0	0	114.5	V745 L746 M747	P743-V745 VanDerWaalsContact C-N 3.33Å; P743-V745 PolarHBondContact O-N 2.86Å; P743-L746 WeakPolarHBondContact O-CB 3.38Å; P743-L746 PolarHBondContact O-N 2.71Å; P743-L746 VanDerWaalsContact O-N 3.13Å; P743-M747 WeakPolarHBondContact O-CG 3.22Å; P743-M747 PolarHBondContact O-N 3.21Å
744	E	84.3	Confident	82.3	Confident	145 Å²	145	88.9 Å²	88.9	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-55.3	-47.6	174.6	-63.9	-58.1	152.4	0	0	111.9	Y742 L746 M747 I748	Y742-E744 VanDerWaalsContact C-N 3.3Å; Y742-E744 PolarHBondContact O-N 3.29Å; E744-L746 VanDerWaalsContact C-N 3.29Å; E744-L746 PolarHBondContact O-N 2.87Å; E744-M747 PolarHBondContact O-N 3.37Å; E744-I748 WeakPolarHBondContact O-CG1 3.46Å; E744-I748 PolarHBondContact O-N 2.72Å
745	V	84.7	Confident	82.2	Confident	60 Å²	60	93.2 Å²	93.2	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-67.3	-34	179.6	-171.8	0	0	0	0	110.5	Y738 T740 Y742 P743 I748 H749	Y738-V745 VanDerWaalsContact OH-CG1 3.31Å; Y738-V745 WeakPolarHBondContact OH-CG1 3.45Å; T740-V745 HydrophobicContact CG2-CB 4.38Å; Y742-V745 PolarHBondContact O-N 3.36Å; Y742-V745 VanDerWaalsContact O-N 3.1Å; P743-V745 VanDerWaalsContact C-N 3.33Å; P743-V745 PolarHBondContact O-N 2.86Å; V745-I748 PolarHBondContact O-N 3.36Å; V745-H749 VanDerWaalsContact O-CB 3.3Å; V745-H749 WeakPolarHBondContact O-CB 3.26Å; V745-H749 PolarHBondContact O-N 3.29Å
746	L	84.1	Confident	81.7	Confident	17 Å²	17	92.1 Å²	92.1	9%	0.089	44%	0.436	C	S	.	.	H	α-helix	trans	-65.7	-42.3	173.9	-172.3	58.6	0	0	0	111.7	C733 Y738 T740 Y742 P743 E744 H749 Q750	C733-L746 HydrophobicContact CB-CD1 3.93Å; Y738-L746 HydrophobicContact CD1-CD1 3.87Å; Y738-L746 HydrophobicContact CE1-CD1 4.22Å; T740-L746 HydrophobicContact CG2-CB 3.62Å; T740-L746 HydrophobicContact CG2-CD1 4.3Å; T740-L746 HydrophobicContact CG2-CG 4.46Å; Y742-L746 PolarHBondContact O-N 2.79Å; P743-L746 WeakPolarHBondContact O-CB 3.38Å; P743-L746 PolarHBondContact O-N 2.71Å; P743-L746 VanDerWaalsContact O-N 3.13Å; E744-L746 VanDerWaalsContact C-N 3.29Å; E744-L746 PolarHBondContact O-N 2.87Å; L746-H749 PolarHBondContact O-N 3.09Å; L746-Q750 HydrophobicContact CD1-CG 4.49Å; L746-Q750 WeakPolarHBondContact O-CB 3.47Å; L746-Q750 VanDerWaalsContact O-CG 3.26Å; L746-Q750 WeakPolarHBondContact O-CG 3.47Å; L746-Q750 PolarHBondContact O-N 2.96Å
747	M	79.1	Confident	80.5	Confident	57 Å²	57	93.5 Å²	93.5	28%	0.281	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-40.5	176.2	-70.5	-59.5	-64	0	0	111.9	P743 E744 Q750 R751 Y756 P758	P743-M747 WeakPolarHBondContact O-CG 3.22Å; P743-M747 PolarHBondContact O-N 3.21Å; E744-M747 PolarHBondContact O-N 3.37Å; M747-Q750 PolarHBondContact O-N 2.89Å; M747-R751 VanDerWaalsContact O-CG 3.29Å; M747-R751 WeakPolarHBondContact O-CG 3.49Å; M747-R751 PolarHBondContact O-N 3.06Å; M747-Y756 HydrophobicContact CE-CE1 4.47Å; M747-P758 HydrophobicContact CE-CB 4.25Å; M747-P758 HydrophobicContact CE-CG 3.96Å
748	I	83.1	Confident	79.2	Confident	93 Å²	93	88 Å²	88	48%	0.477	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-47	174.3	-67.9	164.6	0	0	0	110.5	E744 V745 Q750 R751 L752	E744-I748 WeakPolarHBondContact O-CG1 3.46Å; E744-I748 PolarHBondContact O-N 2.72Å; V745-I748 PolarHBondContact O-N 3.36Å; I748-Q750 PolarHBondContact O-N 3.05Å; I748-R751 PolarHBondContact O-N 2.71Å; I748-L752 HydrophobicContact CG2-CD1 3.7Å; I748-L752 HydrophobicContact CG2-CG 4.32Å; I748-L752 WeakPolarHBondContact O-CB 3.39Å; I748-L752 WeakPolarHBondContact O-CG 3.29Å; I748-L752 PolarHBondContact O-N 3.5Å
749	H	88.8	Confident	77.6	Confident	29 Å²	29	89.1 Å²	89.1	13%	0.134	42%	0.418	C	S	.	.	H	α-helix	trans	-57.4	-46.7	175.2	170.2	90.7	0	0	0	111.9	C736 Y738 V745 L746 L752 M753 H754	C736-H749 PolarHBondContact SG-NE2 2.81Å; Y738-H749 VanDerWaalsContact CB-CE1 3.41Å; Y738-H749 WeakPolarHBondContact CB-CE1 3.35Å; Y738-H749 WeakPolarHBondContact CB-NE2 3.48Å; Y738-H749 HydrophobicContact CD1-CB 3.92Å; Y738-H749 AromaticContact CD1-CD2 3.58Å; Y738-H749 AromaticContact CD1-CE1 3.87Å; Y738-H749 AromaticContact CD1-CG 3.4Å; Y738-H749 AromaticContact CD1-ND1 3.6Å; Y738-H749 AromaticContact CD1-NE2 3.89Å; Y738-H749 AromaticContact CD2-CE1 3.98Å; Y738-H749 AromaticContact CD2-ND1 3.83Å; Y738-H749 HydrophobicContact CE1-CB 3.73Å; Y738-H749 AromaticContact CE1-CG 3.72Å; Y738-H749 AromaticContact CE1-ND1 3.99Å; Y738-H749 AromaticContact CG-CD2 3.96Å; Y738-H749 AromaticContact CG-CE1 3.48Å; Y738-H749 VanDerWaalsContact CG-CE1 3.48Å; Y738-H749 AromaticContact CG-CG 3.82Å; Y738-H749 AromaticContact CG-ND1 3.51Å; Y738-H749 AromaticContact CG-NE2 3.77Å; V745-H749 VanDerWaalsContact O-CB 3.3Å; V745-H749 WeakPolarHBondContact O-CB 3.26Å; V745-H749 PolarHBondContact O-N 3.29Å; L746-H749 PolarHBondContact O-N 3.09Å; H749-L752 PolarHBondContact O-N 2.89Å; H749-M753 WeakPolarHBondContact O-CB 3.32Å; H749-M753 PolarHBondContact O-N 3.46Å; H749-H754 AromaticContact NE2-CD2 3.8Å; H749-H754 AromaticContact NE2-NE2 3.52Å
750	Q	81.3	Confident	75.7	Confident	14 Å²	14	85.8 Å²	85.8	7%	0.065	42%	0.416	C	S	.	.	H	α-helix	trans	-62.9	-41.6	178.3	-74.6	178.2	18.5	0	0	112.5	P734 F735 L746 M747 I748 H754 K755 Y756	P734-Q750 VanDerWaalsContact CD-NE2 3.34Å; F735-Q750 HydrophobicContact CD2-CG 4.44Å; L746-Q750 HydrophobicContact CD1-CG 4.49Å; L746-Q750 WeakPolarHBondContact O-CB 3.47Å; L746-Q750 VanDerWaalsContact O-CG 3.26Å; L746-Q750 WeakPolarHBondContact O-CG 3.47Å; L746-Q750 PolarHBondContact O-N 2.96Å; M747-Q750 PolarHBondContact O-N 2.89Å; I748-Q750 PolarHBondContact O-N 3.05Å; Q750-H754 CarbonylContact O-C 3.57Å; Q750-H754 WeakPolarHBondContact O-CA 3.47Å; Q750-H754 WeakPolarHBondContact O-CB 3.47Å; Q750-H754 PolarHBondContact O-N 3.1Å; Q750-H754 VanDerWaalsContact O-N 3.14Å; Q750-K755 PolarHBondContact O-N 2.74Å; Q750-Y756 HydrophobicContact CB-CD1 4.13Å; Q750-Y756 HydrophobicContact CB-CG 4.42Å; Q750-Y756 PolarHBondContact O-N 3.09Å; Q750-Y756 VanDerWaalsContact OE1-CD1 3.26Å
751	R	83.3	Confident	73.8	Confident	126 Å²	126	89.1 Å²	89.1	48%	0.475	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-45.2	174.5	-71.9	174.4	-161.7	-132.6	8	112	M747 I748 K755 Y756	M747-R751 VanDerWaalsContact O-CG 3.29Å; M747-R751 WeakPolarHBondContact O-CG 3.49Å; M747-R751 PolarHBondContact O-N 3.06Å; I748-R751 PolarHBondContact O-N 2.71Å; R751-K755 VanDerWaalsContact O-CA 3.26Å; R751-K755 WeakPolarHBondContact O-CA 3.2Å; R751-K755 PolarHBondContact O-N 2.72Å; R751-Y756 WeakPolarHBondContact CG-O 3.3Å
752	L	84.1	Confident	71.8	Confident	122 Å²	122	90.5 Å²	90.5	64%	0.639	45%	0.449	S	S	*	.	H	α-helix	trans	-77.6	-47.7	-174.4	-67.6	175.9	0	0	0	113.4	I748 H749	I748-L752 HydrophobicContact CG2-CD1 3.7Å; I748-L752 HydrophobicContact CG2-CG 4.32Å; I748-L752 WeakPolarHBondContact O-CB 3.39Å; I748-L752 WeakPolarHBondContact O-CG 3.29Å; I748-L752 PolarHBondContact O-N 3.5Å; H749-L752 PolarHBondContact O-N 2.89Å
753	M	76.9	Confident	69.9	Low	126 Å²	126	91.7 Å²	91.7	62%	0.621	46%	0.458	S	S	*	.	H	α-helix	trans	-88.7	-29.8	-172.4	-59.7	-65.4	96.8	0	0	113.1	H749	H749-M753 WeakPolarHBondContact O-CB 3.32Å; H749-M753 PolarHBondContact O-N 3.46Å
754	H	81.9	Confident	67.8	Low	65 Å²	65	95.3 Å²	95.3	30%	0.301	47%	0.473	S	S	.	.	H	α-helix	trans	-116.3	0.7	-175	-59.5	-67.7	0	0	0	113.9	C733 F735 C736 H749 Q750 Y756	C733-H754 VanDerWaalsContact SG-CD2 3.57Å; F735-H754 HydrophobicContact CB-CB 4.35Å; F735-H754 WeakPolarHBondContact CB-ND1 3.42Å; F735-H754 HydrophobicContact CD2-CB 4.06Å; F735-H754 HydrophobicContact CG-CB 4.39Å; F735-H754 PolarHBondContact O-CE1 3.16Å; C736-H754 PolarHBondContact SG-NE2 3.44Å; H749-H754 AromaticContact NE2-CD2 3.8Å; H749-H754 AromaticContact NE2-NE2 3.52Å; Q750-H754 CarbonylContact O-C 3.57Å; Q750-H754 WeakPolarHBondContact O-CA 3.47Å; Q750-H754 WeakPolarHBondContact O-CB 3.47Å; Q750-H754 PolarHBondContact O-N 3.1Å; Q750-H754 VanDerWaalsContact O-N 3.14Å; H754-Y756 PolarHBondContact O-N 3.12Å; H754-Y756 VanDerWaalsContact O-N 3.08Å
755	K	76.2	Confident	65.3	Low	185 Å²	185	91.4 Å²	91.4	80%	0.804	47%	0.471	S	S	*	.			trans	51.3	25	-171.4	-69.1	-173.7	173.7	-176.9	0	113.7	Q750 R751 N757	Q750-K755 PolarHBondContact O-N 2.74Å; R751-K755 VanDerWaalsContact O-CA 3.26Å; R751-K755 WeakPolarHBondContact O-CA 3.2Å; R751-K755 PolarHBondContact O-N 2.72Å; K755-N757 PolarHBondContact O-N 2.64Å; K755-N757 VanDerWaalsContact O-N 3.1Å
756	Y	64.9	Low	62.7	Low	85 Å²	85	98 Å²	98	33%	0.333	49%	0.491	S	S	.	.			trans	-68.8	111.7	-178.7	-179.9	-105.2	0	0	0	109.6	F735 M747 Q750 R751 H754 P758	F735-Y756 AromaticContact CE2-CD2 3.65Å; F735-Y756 HydrophobicContact CE2-CD2 3.65Å; F735-Y756 HydrophobicContact CE2-CE2 4.25Å; F735-Y756 AromaticContact CE2-CG 3.86Å; F735-Y756 HydrophobicContact CE2-CG 3.86Å; F735-Y756 AromaticContact CZ-CD2 3.7Å; F735-Y756 HydrophobicContact CZ-CD2 3.7Å; F735-Y756 HydrophobicContact CZ-CE2 4.05Å; F735-Y756 HydrophobicContact CZ-CG 4.38Å; M747-Y756 HydrophobicContact CE-CE1 4.47Å; Q750-Y756 HydrophobicContact CB-CD1 4.13Å; Q750-Y756 HydrophobicContact CB-CG 4.42Å; Q750-Y756 PolarHBondContact O-N 3.09Å; Q750-Y756 VanDerWaalsContact OE1-CD1 3.26Å; R751-Y756 WeakPolarHBondContact CG-O 3.3Å; H754-Y756 PolarHBondContact O-N 3.12Å; H754-Y756 VanDerWaalsContact O-N 3.08Å; Y756-P758 HydrophobicContact CE1-CB 4.48Å
757	N	60.4	Low	60.3	Low	79 Å²	79	108.1 Å²	108.1	42%	0.422	53%	0.528	S	S	.	.			trans	-112.8	98.9	-173.6	-167.7	3.2	0	0	0	110.5	K755 D759 T760	K755-N757 PolarHBondContact O-N 2.64Å; K755-N757 VanDerWaalsContact O-N 3.1Å; N757-D759 PolarHBondContact O-N 3.38Å; N757-D759 VanDerWaalsContact O-N 3.15Å; N757-T760 HydrophobicContact CB-CG2 4.24Å; N757-T760 PolarHBondContact O-N 3.44Å; N757-T760 PolarHBondContact O-OG1 3.21Å
758	P	56.8	Low	57.9	Low	25 Å²	25	113 Å²	113	16%	0.162	56%	0.555	C	S	.	*	G	3₁₀ helix	trans	-62.4	-26.9	-170.2	25.9	-35.1	0	0	0	113.2	M747 Y756 T760 V761	M747-P758 HydrophobicContact CE-CB 4.25Å; M747-P758 HydrophobicContact CE-CG 3.96Å; Y756-P758 HydrophobicContact CE1-CB 4.48Å; P758-T760 PolarHBondContact O-N 3.28Å; P758-T760 VanDerWaalsContact O-N 3.16Å; P758-V761 PolarHBondContact O-N 3.31Å
759	D	49.8	Very low	55.6	Low	101 Å²	101	116.7 Å²	116.7	54%	0.54	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-68.3	-15.3	-176.8	-56.9	-45.9	0	0	0	113.3	N757	N757-D759 PolarHBondContact O-N 3.38Å; N757-D759 VanDerWaalsContact O-N 3.15Å
760	T	45.9	Very low	52.8	Low	97 Å²	97	120.1 Å²	120.1	60%	0.595	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-75.1	-22.9	173.1	61.3	0	0	0	0	113.3	N757 P758	N757-T760 HydrophobicContact CB-CG2 4.24Å; N757-T760 PolarHBondContact O-N 3.44Å; N757-T760 PolarHBondContact O-OG1 3.21Å; P758-T760 PolarHBondContact O-N 3.28Å; P758-T760 VanDerWaalsContact O-N 3.16Å
761	V	43.9	Very low	50.5	Low	86 Å²	86	128 Å²	128	52%	0.521	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-36.3	-179.2	-176	0	0	0	0	111.2	P758 K763	P758-V761 PolarHBondContact O-N 3.31Å; V761-K763 VanDerWaalsContact C-N 3.31Å; V761-K763 PolarHBondContact O-N 3.34Å
762	N	41.8	Very low	48	Very low	143 Å²	143	125.8 Å²	125.8	77%	0.765	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-2.2	-172.1	-84.7	-19.6	0	0	0	116
763	K	37.4	Very low	45.6	Very low	191 Å²	191	129.9 Å²	129.9	83%	0.83	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-12.8	176.2	-77	-174.5	175.6	178	0	115.3	V761	V761-K763 VanDerWaalsContact C-N 3.31Å; V761-K763 PolarHBondContact O-N 3.34Å
764	N	34.9	Very low	43.3	Very low	156 Å²	156	129 Å²	129	83%	0.834	68%	0.677	S	S	*	*	S	Bend	trans	-125.5	68.3	179.2	-79.9	-21.2	0	0	0	111.4
765	G	31.6	Very low	40.9	Very low	62 Å²	62	137.4 Å²	137.4	64%	0.639	71%	0.706	S	S	*	*			trans	-164.7	16.5	-171.9	0	0	0	0	0	119.9
766	Y	30.5	Very low	38.8	Very low	198 Å²	198	140.4 Å²	140.4	78%	0.776	71%	0.712	S	S	*	*			trans	-119.1	64.8	-179.5	-117.7	-76.2	0	0	0	114.8	K769	Y766-K769 PolarHBondContact OH-NZ 3.02Å
767	R	33.1	Very low	37.5	Very low	231 Å²	231	143.1 Å²	143.1	87%	0.872	74%	0.738	S	S	*	*	S	Bend	trans	-135.8	148.8	149.9	-72.1	-164	-179.6	-139.6	0.6	109.6
768	N	28.7	Very low	36	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	75%	0.754	S	S	*	*			trans	72.2	97.7	175.2	-51.7	-12.6	0	0	0	116.3
769	K	34.9	Very low	34.9	Very low	170 Å²	170	148 Å²	148	74%	0.739	79%	0.788	S	S	*	*			trans	-115.5	155	152.9	-85	177.7	172.2	169	0	108.6	Y766	Y766-K769 PolarHBondContact OH-NZ 3.02Å
770	A	31	Very low	34.5	Very low	101 Å²	101	148.8 Å²	148.8	84%	0.835	80%	0.799	S	S	*	*			trans	74.2	125.4	-172.4	0	0	0	0	0	114
771	L	32.7	Very low	34.5	Very low	179 Å²	179	150.2 Å²	150.2	94%	0.937	81%	0.81	S	S	*	*			cis	-132.5	-166	39.8	-162.2	51.3	0	0	0	112.9
772	A	30.3	Very low	34.3	Very low	80 Å²	80	150.7 Å²	150.7	66%	0.661	82%	0.823	S	S	*	*			trans	-118.9	162.5	-156.2	0	0	0	0	0	116.7
773	K	33.3	Very low	34	Very low	208 Å²	208	151.3 Å²	151.3	90%	0.904	83%	0.826	S	S	*	*			trans	46.6	103.5	151.8	-68.6	174.6	178.3	176.2	0	118.9
774	A	28.8	Very low	33.8	Very low	107 Å²	107	150.3 Å²	150.3	88%	0.884	83%	0.829	S	S	*	*			trans	-147.9	147.8	141.1	0	0	0	0	0	111.7
775	R	32.5	Very low	33.6	Very low	242 Å²	242	146.2 Å²	146.2	91%	0.913	82%	0.823	S	S	*	*			trans	-80.9	147.4	-171.2	-50.4	169.5	-172.5	-171.4	0.2	111.6
776	R	32.4	Very low	33.6	Very low	249 Å²	249	152.5 Å²	152.5	94%	0.94	83%	0.832	S	S	*	*			trans	-142.2	101.1	148.8	-76.9	-160.1	-176.1	-85.4	0.7	111.8
777	T	36.9	Very low	33.6	Very low	142 Å²	142	149.6 Å²	149.6	87%	0.871	83%	0.83	S	S	*	*			trans	-108.7	162.1	147.8	44.8	0	0	0	0	107.8
778	G	29.1	Very low	33.4	Very low	74 Å²	74	145.2 Å²	145.2	76%	0.763	83%	0.829	S	S	*	*			trans	101.4	108.8	169.3	0	0	0	0	0	115.5
779	C	34.5	Very low	33.7	Very low	131 Å²	131	145 Å²	145	89%	0.885	83%	0.827	S	S	*	*			trans	-94.6	138.6	151.5	-65.2	0	0	0	0	108.5
780	P	39.3	Very low	34.1	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	82%	0.824	S	S	*	*			trans	-84.7	174.4	167.1	36	-32.8	0	0	0	111.3
781	P	46	Very low	34	Very low	127 Å²	127	144.2 Å²	144.2	83%	0.825	82%	0.822	S	S	*	*			trans	-109.6	-179.7	-133	39.9	-36.2	0	0	0	115.9
782	A	41.7	Very low	33.8	Very low	95 Å²	95	139.9 Å²	139.9	79%	0.785	81%	0.806	S	S	*	*			trans	-102.9	128.4	176.6	0	0	0	0	0	112.9
783	L	34.7	Very low	33.7	Very low	157 Å²	157	144.8 Å²	144.8	82%	0.822	81%	0.813	S	S	*	*			trans	-140.3	119.4	157	-68.1	175.7	0	0	0	105.5
784	L	34	Very low	33.8	Very low	170 Å²	170	142.2 Å²	142.2	89%	0.89	81%	0.809	S	S	*	*				63	79.3	77.2	-73.4	176.5	0	0	0	114.9
785	G	29.2	Very low	34.5	Very low	69 Å²	69	143.2 Å²	143.2	71%	0.711	81%	0.807	S	S	*	*				111	135	119.4	0	0	0	0	0	119.7
786	K	32.9	Very low	34.4	Very low	194 Å²	194	138.6 Å²	138.6	84%	0.843	80%	0.8	S	S	*	*			trans	91.7	140.4	144	-61.1	-175.9	179.9	-179.6	0	120.6
787	D	29.4	Very low	34.6	Very low	137 Å²	137	135 Å²	135	73%	0.733	79%	0.791	S	S	*	*			trans	75.2	107.3	146.4	-55.5	-16.9	0	0	0	123.3
788	V	29.9	Very low	34.3	Very low	139 Å²	139	134.3 Å²	134.3	84%	0.842	78%	0.783	S	S	*	*				90.8	128.1	125.3	173.6	0	0	0	0	120.6
789	L	34.3	Very low	34.7	Very low	155 Å²	155	140.1 Å²	140.1	81%	0.812	79%	0.787	S	S	*	*			trans	-79.8	164.2	167.3	-77.7	166.5	0	0	0	110.3
790	P	43.1	Very low	34.5	Very low	104 Å²	104	139 Å²	139	68%	0.675	79%	0.787	S	S	*	*			cis	-160.5	-165.2	49.1	42.8	-18.4	0	0	0	117.9
791	L	28.3	Very low	34.1	Very low	150 Å²	150	138.7 Å²	138.7	79%	0.785	79%	0.787	S	S	*	*			trans	67.4	129.3	164.6	-57.8	169.6	0	0	0	116.2
792	S	29.1	Very low	34.1	Very low	88 Å²	88	138.7 Å²	138.7	62%	0.615	79%	0.788	S	S	*	*			cis	75.4	109.8	47.1	-174.4	0	0	0	0	114.2
793	F	28.1	Very low	33.7	Very low	184 Å²	184	139.5 Å²	139.5	81%	0.807	79%	0.787	S	S	*	*				176.1	134.4	117.4	-99.6	-71.6	0	0	0	112.1
794	N	35.2	Very low	33.7	Very low	153 Å²	153	137.6 Å²	137.6	82%	0.818	78%	0.783	S	S	*	*			trans	-85.8	148.7	157.7	-100	-29.2	0	0	0	108.6
795	P	43.4	Very low	33.9	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	78%	0.778	S	S	*	*				-142.9	-165.4	116.9	37.8	-22.7	0	0	0	114.4
796	N	31.4	Very low	34	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	78%	0.776	S	S	*	*			trans	-124.5	162.1	-152.3	-118.5	-55.2	0	0	0	113.5
797	K	35.9	Very low	33.9	Very low	172 Å²	172	140.5 Å²	140.5	75%	0.748	77%	0.773	S	S	*	*			trans	82.1	135	144.9	-77.2	169.3	-179.3	175.7	0	123.9
798	N	30.8	Very low	34	Very low	129 Å²	129	141.5 Å²	141.5	69%	0.69	78%	0.778	S	S	*	*			trans	98.9	110	132.4	-73.2	-13.4	0	0	0	124.2
799	K	36.5	Very low	34	Very low	196 Å²	196	142.4 Å²	142.4	85%	0.852	78%	0.777	S	S	*	*				48	128.7	125	-60.3	-176.5	178.5	-175.8	0	122.7
800	A	30.8	Very low	34.1	Very low	108 Å²	108	143.1 Å²	143.1	89%	0.893	78%	0.776	S	S	*	*				-170.9	170	117.9	0	0	0	0	0	112.6
801	S	32.1	Very low	33.3	Very low	111 Å²	111	144.7 Å²	144.7	78%	0.776	78%	0.784	S	S	*	*			trans	-123.9	175.3	178.4	58.9	0	0	0	0	112.1
802	P	46	Very low	33.3	Very low	128 Å²	128	140.3 Å²	140.3	83%	0.831	78%	0.776	S	S	*	*				-149.8	-161.6	99.1	39.2	-19.8	0	0	0	115
803	S	32.6	Very low	33.4	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	79%	0.792	S	S	*	*			trans	-147.8	178.3	-173.2	66.6	0	0	0	0	112.7
804	T	35.1	Very low	33.3	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	79%	0.794	S	S	*	*			trans	178.4	118.3	145.4	-82.8	0	0	0	0	115.5
805	Q	37.3	Very low	33.2	Very low	168 Å²	168	144.7 Å²	144.7	79%	0.785	80%	0.795	S	S	*	*			trans	47.1	168.3	142	-52	-178.7	12.3	0	0	121.6
806	Q	32.3	Very low	32.5	Very low	147 Å²	147	146.5 Å²	146.5	69%	0.687	79%	0.792	S	S	*	*			cis	-141.7	169.1	14.8	-78.4	-177	99	0	0	109.4
807	K	31.1	Very low	32.2	Very low	179 Å²	179	145.4 Å²	145.4	78%	0.778	80%	0.795	S	S	*	*			cis	-144.4	-142.6	1.2	-152.4	106.8	179.5	-171.9	0	110.3
808	L	31.1	Very low	31.9	Very low	157 Å²	157	145.8 Å²	145.8	82%	0.822	80%	0.799	S	S	*	*			trans	-157.7	153.3	179.8	180	61.6	0	0	0	112
809	L	29.4	Very low	33.1	Very low	158 Å²	158	145 Å²	145	83%	0.827	80%	0.801	S	S	*	*			trans	-151.1	-150.2	166.9	-153.8	59.2	0	0	0	113.2
810	Q	35.9	Very low	33	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.794	80%	0.8	S	S	*	*			trans	-148.1	165.7	-166.2	-49.5	-175	11.2	0	0	111.6
811	T	27.2	Very low	32.8	Very low	137 Å²	137	144.6 Å²	144.6	84%	0.84	80%	0.795	S	S	*	*			cis	-128.7	-168	10.6	75.2	0	0	0	0	109.9
812	G	28.8	Very low	32.7	Very low	59 Å²	59	145.6 Å²	145.6	61%	0.608	79%	0.791	S	S	*	*			cis	171.7	155.9	3.1	0	0	0	0	0	112
813	K	30.3	Very low	31.9	Very low	221 Å²	221	148.2 Å²	148.2	96%	0.961	79%	0.79	S	S	*	*	S	Bend	trans	59.6	118.2	-171.2	-58.5	-179.2	-179.7	179.5	0	114.3
814	A	26.9	Very low	31.9	Very low	103 Å²	103	148.7 Å²	148.7	85%	0.851	79%	0.787	S	S	*	*			cis	-146.5	159.4	-8.7	0	0	0	0	0	110.1
815	K	31.6	Very low	32.3	Very low	192 Å²	192	148 Å²	148	84%	0.835	79%	0.785	S	S	*	*			trans	-98.8	140.8	-177.7	-70.2	-179.7	179.4	-179.2	0	109.8
816	Q	29.5	Very low	31.8	Very low	167 Å²	167	146.1 Å²	146.1	78%	0.78	78%	0.78	S	S	*	*				72.5	101.8	51.8	-171.5	-162.9	37.6	0	0	114
817	C	24.2	Very low	31.5	Very low	123 Å²	123	148 Å²	148	83%	0.831	79%	0.786	S	S	*	*			trans	-168.7	178.6	132.8	-114.1	0	0	0	0	114
818	H	29.7	Very low	31.3	Very low	179 Å²	179	144 Å²	144	83%	0.829	78%	0.78	S	S	*	*			trans	-88.6	174.5	-167	-84.3	-78.2	0	0	0	114.6
819	P	56.4	Low	31.1	Very low	113 Å²	113	142 Å²	142	73%	0.734	78%	0.775	S	S	*	*			trans	-99.5	173.6	-150.2	40	-38.6	0	0	0	116.1
820	P	33.8	Very low	31.2	Very low	129 Å²	129	139.2 Å²	139.2	84%	0.838	76%	0.764	S	S	*	*			trans	-130	-178.9	140.8	39.2	-28	0	0	0	113.7
821	Q	28.5	Very low	30.9	Very low	167 Å²	167	136.1 Å²	136.1	78%	0.78	75%	0.753	S	S	*	*			trans	-105.2	171	-175.9	-55.2	175.5	-31.1	0	0	113.9
822	N	28.5	Very low	31.2	Very low	131 Å²	131	132.1 Å²	132.1	70%	0.701	73%	0.731	S	S	*	*			trans	68	134.5	149.8	-64.9	-43.5	0	0	0	117.6
823	K	30	Very low	31.3	Very low	184 Å²	184	136.4 Å²	136.4	80%	0.8	74%	0.74	S	S	*	*				-172	139.7	65.6	-89.8	-167.1	177.8	-179	0	114.3
824	V	31.3	Very low	31.3	Very low	120 Å²	120	130.8 Å²	130.8	73%	0.727	73%	0.728	S	S	*	*				76.2	150.5	125.9	172.8	0	0	0	0	119.5
825	P	45.4	Very low	31.5	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	73%	0.726	S	S	*	*			cis	-124.6	151.5	1.7	22.6	-0.1	0	0	0	118.6
826	L	26.5	Very low	31.5	Very low	129 Å²	129	127 Å²	127	68%	0.675	72%	0.72	S	S	*	*			trans	41.9	148.4	138	-73.2	81.2	0	0	0	124.7
827	F	25.9	Very low	31.9	Very low	186 Å²	186	125 Å²	125	82%	0.816	72%	0.721	S	S	*	*			trans	69.6	147.8	163.1	-55.6	-62	0	0	0	117.1
828	S	26.3	Very low	32.1	Very low	94 Å²	94	124.3 Å²	124.3	66%	0.657	72%	0.717	S	S	*	*			cis	-174	152.8	-21.3	53.3	0	0	0	0	111.2
829	V	27.7	Very low	32.1	Very low	117 Å²	117	123.2 Å²	123.2	71%	0.709	72%	0.718	S	S	*	*			trans	68.6	106.1	140.9	165.2	0	0	0	0	119.4
830	T	29.7	Very low	30.9	Very low	99 Å²	99	124 Å²	124	61%	0.607	72%	0.715	S	S	*	*			trans	66.4	145.1	135.6	64.7	0	0	0	0	124.2
831	D	30.1	Very low	30.7	Very low	105 Å²	105	124.7 Å²	124.7	56%	0.561	71%	0.705	S	S	*	*			trans	74	154.2	135	-80.4	38.9	0	0	0	120.8	L947	D831-L947 CarbonylContact O-C 3.47Å; D831-L947 WeakPolarHBondContact O-CB 3.33Å
832	S	33.5	Very low	30.6	Very low	53 Å²	53	122 Å²	122	37%	0.371	69%	0.691	S	S	.	*			cis	-163.6	140.2	-11.6	-118.9	0	0	0	0	113	L947	S832-L947 PolarHBondContact N-O 3.11Å
833	N	31.9	Very low	30.7	Very low	149 Å²	149	119.8 Å²	119.8	80%	0.797	68%	0.676	S	S	*	*			trans	61.5	160.2	158.9	-50.3	-39.1	0	0	0	116.1
834	S	30	Very low	30.6	Very low	103 Å²	103	116.7 Å²	116.7	72%	0.72	66%	0.663	S	S	*	*			cis	-154	174.7	8.7	-161.9	0	0	0	0	107.5
835	T	31.6	Very low	30.4	Very low	132 Å²	132	118 Å²	118	81%	0.81	66%	0.661	S	S	*	*			cis	-152	-179.7	10.8	-36.4	0	0	0	0	109.5
836	A	30.6	Very low	29.7	Very low	84 Å²	84	120.5 Å²	120.5	69%	0.694	66%	0.663	S	S	*	*			trans	-105.6	-178.3	164.4	0	0	0	0	0	110.1
837	P	38.2	Very low	29.9	Very low	124 Å²	124	120 Å²	120	81%	0.805	67%	0.671	S	S	*	*			cis	-123.4	-163.9	2.6	43.6	-25.5	0	0	0	112.1
838	S	29.2	Very low	29.9	Very low	108 Å²	108	118.3 Å²	118.3	76%	0.755	67%	0.67	S	S	*	*			cis	-152	170.9	16.3	57.4	0	0	0	0	113.9
839	N	29.5	Very low	30.1	Very low	156 Å²	156	121 Å²	121	83%	0.834	68%	0.683	S	S	*	*			trans	-104.4	168.6	-173.2	-66.8	-63.5	0	0	0	113.6
840	L	30.3	Very low	30.3	Very low	129 Å²	129	118.7 Å²	118.7	68%	0.675	68%	0.682	S	S	*	*			trans	-158.9	98	159	-101.3	174.6	0	0	0	111.1	L439	L439-L840 HydrophobicContact CB-CD2 4.35Å; L439-L840 CarbonylContact O-C 3.03Å; L439-L840 WeakPolarHBondContact O-CD2 3.41Å
841	K	29.1	Very low	30.3	Very low	145 Å²	145	118.1 Å²	118.1	63%	0.63	69%	0.687	S	S	*	*			trans	-158.1	159	157.9	-78.7	-136.6	171.5	171.3	0	113	L439 D440 E441	L439-K841 CarbonylContact C-O 3.4Å; L439-K841 HydrophobicContact CD2-CB 4.41Å; L439-K841 HydrophobicContact CD2-CD 4.37Å; L439-K841 HydrophobicContact CD2-CG 4.07Å; L439-K841 CarbonylContact O-C 3.59Å; L439-K841 WeakPolarHBondContact O-CA 3.24Å; L439-K841 PolarHBondContact O-N 3.25Å; L439-K841 VanDerWaalsContact O-O 3.05Å; D440-K841 CarbonylContact C-O 3.08Å; D440-K841 VanDerWaalsContact C-O 3.22Å; D440-K841 VanDerWaalsContact CA-O 3.29Å; D440-K841 WeakPolarHBondContact CA-O 3.06Å; D440-K841 PolarHBondContact N-O 3.4Å; E441-K841 VanDerWaalsContact CG-O 3.25Å; E441-K841 WeakPolarHBondContact CG-O 3.41Å
842	F	28.1	Very low	30.3	Very low	111 Å²	111	122.4 Å²	122.4	49%	0.487	70%	0.704	S	S	.	*			trans	-85.1	133.7	-167.2	-105.6	-31.1	0	0	0	115.7	L439 D440	L439-F842 HydrophobicContact CB-CG 4.43Å; L439-F842 HydrophobicContact CD1-CB 4.32Å; L439-F842 HydrophobicContact CD1-CD1 4.47Å; L439-F842 HydrophobicContact CD1-CD2 3.15Å; L439-F842 HydrophobicContact CD1-CE2 3.4Å; L439-F842 HydrophobicContact CD1-CG 3.73Å; L439-F842 HydrophobicContact CD1-CZ 4.15Å; L439-F842 HydrophobicContact CG-CB 3.91Å; L439-F842 HydrophobicContact CG-CD1 4.44Å; L439-F842 HydrophobicContact CG-CD2 3.7Å; L439-F842 HydrophobicContact CG-CE2 4.31Å; L439-F842 HydrophobicContact CG-CG 3.73Å; D440-F842 VanDerWaalsContact N-CD1 3.27Å; D440-F842 CarbonylContact O-C 3.4Å; D440-F842 VanDerWaalsContact O-CA 3.25Å; D440-F842 WeakPolarHBondContact O-CA 3.21Å; D440-F842 VanDerWaalsContact OD1-CE1 3.3Å; D440-F842 WeakPolarHBondContact OD1-CE1 3.19Å
843	H	29.8	Very low	30.1	Very low	84 Å²	84	123.4 Å²	123.4	39%	0.389	72%	0.716	S	S	.	*				-158.9	163.4	119.2	-139.8	35.3	0	0	0	116.5	D440 E441 N442	D440-H843 CarbonylContact O-C 3.58Å; D440-H843 WeakPolarHBondContact O-CA 3.29Å; D440-H843 PolarHBondContact O-N 2.87Å; E441-H843 CarbonylContact C-O 3.53Å; N442-H843 VanDerWaalsContact ND2-CB 3.28Å; N442-H843 WeakPolarHBondContact ND2-CB 3.48Å; N442-H843 WeakPolarHBondContact OD1-CB 3.5Å; N442-H843 PolarHBondContact OD1-CD2 3.31Å
844	K	28.7	Very low	30	Very low	119 Å²	119	123.1 Å²	123.1	52%	0.517	71%	0.714	S	S	.	*			trans	10.6	132.9	152.9	-76.1	-173.1	-174.4	149.7	0	121.6
845	Q	26.9	Very low	29.9	Very low	148 Å²	148	124.9 Å²	124.9	69%	0.692	72%	0.716	S	S	*	*				83.3	134.3	55.9	179.5	-173.5	38.6	0	0	115.1
846	Q	29	Very low	29.7	Very low	156 Å²	156	130 Å²	130	73%	0.729	72%	0.722	S	S	*	*			trans	81.2	105.3	161.4	-88.7	168.8	-12.9	0	0	121.9
847	S	30.9	Very low	29.6	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	73%	0.727	S	S	*	*				-169.6	118.8	120.1	51.2	0	0	0	0	108.1
848	N	27.5	Very low	29.2	Very low	150 Å²	150	138 Å²	138	80%	0.802	73%	0.725	S	S	*	*				64.3	96.9	52.4	-84.7	17	0	0	0	115.9
849	V	30.6	Very low	29.9	Very low	151 Å²	151	137.6 Å²	137.6	92%	0.915	72%	0.72	S	S	*	*			trans	-147.1	142.2	153	-179	0	0	0	0	107.8
850	G	31.1	Very low	29.7	Very low	68 Å²	68	137.5 Å²	137.5	70%	0.701	71%	0.714	S	S	*	*			trans	63.9	93.1	167	0	0	0	0	0	115.7
851	A	30.4	Very low	29.5	Very low	87 Å²	87	138.3 Å²	138.3	72%	0.719	71%	0.714	S	S	*	*			cis	65.4	112.5	49.8	0	0	0	0	0	114.9
852	Q	30.1	Very low	29.3	Very low	194 Å²	194	137.4 Å²	137.4	91%	0.907	71%	0.713	S	S	*	*			trans	70.9	147.7	140.6	-68.9	178.2	-9.2	0	0	119.5
853	A	29.1	Very low	29.1	Very low	75 Å²	75	138.8 Å²	138.8	62%	0.62	72%	0.722	S	S	*	*			cis	-162	175.7	-13	0	0	0	0	0	112.1
854	N	29.7	Very low	28.9	Very low	142 Å²	142	142.3 Å²	142.3	76%	0.759	74%	0.739	S	S	*	*			trans	63.4	106.9	151.3	-65.7	-10.5	0	0	0	121
855	N	27.2	Very low	28.8	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	75%	0.749	S	S	*	*				2.5	135.3	118.2	-50.2	-61	0	0	0	117.3
856	Y	28	Very low	28.6	Very low	239 Å²	239	139.7 Å²	139.7	94%	0.937	75%	0.751	S	S	*	*				-158.5	-170	101.3	-121.2	-88.6	0	0	0	111.4
857	R	28.3	Very low	28.4	Very low	212 Å²	212	137.3 Å²	137.3	80%	0.8	75%	0.752	S	S	*	*			trans	-134.7	167.9	-159.9	-154.3	-172.6	-162.4	-152.7	7.2	111.5
858	Q	29.2	Very low	28	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	75%	0.752	S	S	*	*			trans	70.9	166.1	167.8	-72.8	-179	-86.7	0	0	116.6
859	P	44.5	Very low	28	Very low	99 Å²	99	134.7 Å²	134.7	64%	0.643	75%	0.751	S	S	*	*			cis	-136.2	-169.2	-45.8	39.7	-23.8	0	0	0	112.6
860	Q	24.8	Very low	28.3	Very low	154 Å²	154	132.3 Å²	132.3	72%	0.72	74%	0.741	S	S	*	*			trans	34.8	130.9	142.7	-82.3	-175.3	-76.8	0	0	121.6
861	Q	25.7	Very low	28.4	Very low	145 Å²	145	135.1 Å²	135.1	68%	0.678	75%	0.747	S	S	*	*				52.7	134.5	94.2	-83.2	-174.4	-66.4	0	0	114.7
862	E	25.3	Very low	28.2	Very low	127 Å²	127	136 Å²	136	59%	0.593	74%	0.743	S	S	*	*			cis	-173.7	178.2	-4.1	-163.3	168.8	179.7	0	0	108.3
863	M	25.3	Very low	28.1	Very low	139 Å²	139	134.2 Å²	134.2	69%	0.685	74%	0.739	S	S	*	*			trans	69.5	166.9	160.5	-52.7	-163.6	179	0	0	117.8
864	H	25.3	Very low	28	Very low	159 Å²	159	136.4 Å²	136.4	74%	0.736	74%	0.74	S	S	*	*			cis	-161	144.9	-44.5	-94	-33.9	0	0	0	109.4
865	S	25.2	Very low	28.5	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	74%	0.742	S	S	*	*			trans	-155.9	102.4	155.8	55.7	0	0	0	0	107.2
866	S	24.2	Very low	28.8	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	74%	0.741	S	S	*	*				55.7	131	91.2	71	0	0	0	0	113.5
867	S	24.5	Very low	29	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	74%	0.736	S	S	*	*			cis	-174.8	167.8	-4.3	40.3	0	0	0	0	108.1	A869	S867-A869 PolarHBondContact O-N 3.26Å
868	S	22.3	Very low	29.3	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	73%	0.73	S	S	*	*			trans	-35.8	125.2	171.1	51.6	0	0	0	0	117.4
869	A	28	Very low	30.4	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	73%	0.727	S	S	*	*			trans	-165.8	123.9	142.3	0	0	0	0	0	113.5	S867	S867-A869 PolarHBondContact O-N 3.26Å
870	S	35.7	Very low	29.8	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	73%	0.725	S	S	*	*			trans	5.1	142.1	146.6	-54.7	0	0	0	0	120.5
871	P	33.8	Very low	30.1	Very low	126 Å²	126	131.6 Å²	131.6	82%	0.818	73%	0.729	S	S	*	*				-130.2	157.7	64.3	38.3	-26.6	0	0	0	115.1
872	V	26.1	Very low	30.6	Very low	106 Å²	106	134.2 Å²	134.2	64%	0.642	74%	0.738	S	S	*	*			cis	86.9	91.7	19.3	-172.8	0	0	0	0	116
873	L	27.7	Very low	30.7	Very low	156 Å²	156	134.6 Å²	134.6	82%	0.817	75%	0.748	S	S	*	*			trans	42.9	121.3	137.7	-69	164.8	0	0	0	121.9
874	D	28	Very low	30.9	Very low	121 Å²	121	137 Å²	137	65%	0.647	76%	0.755	S	S	*	*				-152.5	138.5	101.6	-125.5	-0.8	0	0	0	108.6
875	R	39.3	Very low	31.1	Very low	208 Å²	208	133.6 Å²	133.6	79%	0.785	76%	0.755	S	S	*	*				53.2	140.4	98.2	-70.5	-171	176.8	122.7	-13.3	115.5
876	V	34.3	Very low	31	Very low	121 Å²	121	136.8 Å²	136.8	73%	0.733	76%	0.762	S	S	*	*			cis	-134.2	147.2	20.4	174.6	0	0	0	0	111.4
877	K	32.5	Very low	31	Very low	191 Å²	191	136.1 Å²	136.1	83%	0.83	76%	0.758	S	S	*	*			trans	80.3	136.4	-173.1	-63	143.3	-177.6	176.6	0	113.9
878	R	33.7	Very low	31.1	Very low	179 Å²	179	137.3 Å²	137.3	68%	0.675	76%	0.76	S	S	*	*			cis	62.5	111	-5.5	-163.3	-88.9	161.8	-178.3	-10.3	115.8	E880	R878-E880 WeakPolarHBondContact CG-OE1 3.43Å; R878-E880 IonicContact CZ-OE1 3.52Å; R878-E880 IonicContact CZ-OE2 2.71Å; R878-E880 VanDerWaalsContact CZ-OE2 3.31Å; R878-E880 VanDerWaalsContact NE-CD 3.31Å; R878-E880 IonicContact NE-OE1 2.72Å; R878-E880 PolarHBondContact NE-OE1 3.42Å; R878-E880 IonicContact NE-OE2 3.56Å; R878-E880 PolarHBondContact NE-OE2 3.47Å; R878-E880 VanDerWaalsContact NE-OE2 3.1Å; R878-E880 IonicContact NH2-OE1 2.74Å; R878-E880 IonicContact NH2-OE2 3.1Å; R878-E880 PolarHBondContact NH2-OE2 3.2Å
879	P	52.3	Low	32	Very low	110 Å²	110	137.2 Å²	137.2	71%	0.714	76%	0.757	S	S	*	*				-98.1	-175.3	59.3	-17.9	35.3	0	0	0	118.3
880	E	32.8	Very low	32.1	Very low	127 Å²	127	138.9 Å²	138.9	59%	0.593	76%	0.757	S	S	*	*			trans	-88.2	-174.3	172.6	-53.3	74.9	-156.3	0	0	110.6	R878	R878-E880 WeakPolarHBondContact CG-OE1 3.43Å; R878-E880 IonicContact CZ-OE1 3.52Å; R878-E880 IonicContact CZ-OE2 2.71Å; R878-E880 VanDerWaalsContact CZ-OE2 3.31Å; R878-E880 VanDerWaalsContact NE-CD 3.31Å; R878-E880 IonicContact NE-OE1 2.72Å; R878-E880 PolarHBondContact NE-OE1 3.42Å; R878-E880 IonicContact NE-OE2 3.56Å; R878-E880 PolarHBondContact NE-OE2 3.47Å; R878-E880 VanDerWaalsContact NE-OE2 3.1Å; R878-E880 IonicContact NH2-OE1 2.74Å; R878-E880 IonicContact NH2-OE2 3.1Å; R878-E880 PolarHBondContact NH2-OE2 3.2Å
881	S	30.6	Very low	31.7	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	76%	0.756	S	S	*	*			cis	-152.5	173.2	12.5	71.2	0	0	0	0	113.2
882	K	36.2	Very low	31.6	Very low	200 Å²	200	141.3 Å²	141.3	87%	0.87	76%	0.757	S	S	*	*			trans	-167.2	145.4	-173.4	-169.1	175.2	-175.4	176.3	0	109.7
883	V	27.3	Very low	31.6	Very low	134 Å²	134	142.2 Å²	142.2	81%	0.812	77%	0.768	S	S	*	*			trans	-137.5	150.9	177.2	-177.3	0	0	0	0	112.6
884	K	29.4	Very low	31.6	Very low	191 Å²	191	137.9 Å²	137.9	83%	0.83	76%	0.761	S	S	*	*			trans	-36.9	155.9	177.3	-63.6	166.3	-177.9	177.6	0	116.5
885	A	28.8	Very low	31.6	Very low	87 Å²	87	138.6 Å²	138.6	72%	0.719	77%	0.769	S	S	*	*			cis	88.9	143.6	30.1	0	0	0	0	0	115.9
886	L	24.2	Very low	31	Very low	170 Å²	170	135.5 Å²	135.5	89%	0.89	77%	0.774	S	S	*	*			trans	68	162.6	-176.6	-90.2	66	0	0	0	114.7
887	S	23.4	Very low	30.7	Very low	94 Å²	94	132.6 Å²	132.6	66%	0.657	77%	0.768	S	S	*	*			cis	-169.3	160.7	-9	46.5	0	0	0	0	112.2
888	V	26.9	Very low	30.4	Very low	131 Å²	131	129 Å²	129	79%	0.794	77%	0.767	S	S	*	*				27.1	144.1	129.8	-177.3	0	0	0	0	119.8
889	P	41.8	Very low	30.1	Very low	116 Å²	116	125.7 Å²	125.7	75%	0.753	77%	0.771	S	S	*	*			cis	-135.2	-170.7	6.7	35.5	-13.3	0	0	0	117.2
890	V	29.8	Very low	29.4	Very low	130 Å²	130	128.5 Å²	128.5	79%	0.788	78%	0.777	S	S	*	*			trans	-49.9	141	161	173.3	0	0	0	0	115.6
891	S	27.8	Very low	29.1	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	79%	0.791	S	S	*	*				179.9	142.3	128.4	-82.6	0	0	0	0	116
892	Q	30	Very low	28.9	Very low	181 Å²	181	128.4 Å²	128.4	85%	0.846	79%	0.788	S	S	*	*			trans	35.8	119.7	139	-57.3	-175.6	14.9	0	0	119.5
893	S	27.2	Very low	28.3	Very low	125 Å²	125	123.2 Å²	123.2	87%	0.874	78%	0.783	S	S	*	*				99.2	117.9	70.9	-171.4	0	0	0	0	113
894	G	26.8	Very low	28.2	Very low	65 Å²	65	124.1 Å²	124.1	67%	0.67	78%	0.782	S	S	*	*			trans	169.5	111.9	177.7	0	0	0	0	0	108.8
895	V	29.3	Very low	28.1	Very low	136 Å²	136	121.1 Å²	121.1	82%	0.824	78%	0.775	S	S	*	*				92.4	104.2	65.4	166.1	0	0	0	0	112.3
896	V	26.7	Very low	27.9	Very low	144 Å²	144	122.3 Å²	122.3	87%	0.873	78%	0.778	S	S	*	*			trans	59.4	132.2	145.5	178.9	0	0	0	0	121.1
897	G	26.5	Very low	28	Very low	59 Å²	59	123 Å²	123	61%	0.608	78%	0.776	S	S	*	*			trans	90.7	125.1	148	0	0	0	0	0	115.5
898	S	27	Very low	28.1	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	79%	0.786	S	S	*	*			cis	85.3	146.6	28.7	88.2	0	0	0	0	115.7
899	S	26.3	Very low	28.1	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	79%	0.785	S	S	*	*			trans	68.1	123.4	-164.1	-58.5	0	0	0	0	113.5
900	M	38	Very low	27.4	Very low	170 Å²	170	129.7 Å²	129.7	84%	0.837	79%	0.788	S	S	*	*			cis	74.2	106.5	36	-51.7	-63	170.9	0	0	113.6
901	N	27.4	Very low	27.5	Very low	168 Å²	168	128.6 Å²	128.6	90%	0.898	79%	0.785	S	S	*	*			trans	170.8	148	158.1	-85.2	-28.3	0	0	0	104.8
902	G	25.2	Very low	27.4	Very low	72 Å²	72	128.4 Å²	128.4	74%	0.742	79%	0.79	S	S	*	*			cis	95.1	117.3	25.5	0	0	0	0	0	108.8
903	A	25.4	Very low	27	Very low	92 Å²	92	130.8 Å²	130.8	76%	0.76	79%	0.791	S	S	*	*			cis	-161.6	-163.6	-2.1	0	0	0	0	0	109.8
904	L	24.6	Very low	26.9	Very low	152 Å²	152	129.3 Å²	129.3	80%	0.796	78%	0.781	S	S	*	*			trans	82.1	160.4	154	-116.3	69.2	0	0	0	120.8
905	D	26.2	Very low	27	Very low	129 Å²	129	131.7 Å²	131.7	69%	0.69	79%	0.786	S	S	*	*			trans	67.6	96.5	156.8	-61.7	-19.8	0	0	0	122.3
906	S	25	Very low	27.1	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	79%	0.787	S	S	*	*				101.1	160.3	111.4	79.6	0	0	0	0	119.6
907	H	26.7	Very low	27.5	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.856	79%	0.788	S	S	*	*			trans	-65.4	133.9	-170.2	-65.4	-111.5	0	0	0	113.5
908	L	26.1	Very low	27.6	Very low	163 Å²	163	138.5 Å²	138.5	85%	0.853	79%	0.789	S	S	*	*			trans	-172.9	145.6	140.6	-96.4	155.1	0	0	0	106
909	N	27.3	Very low	27.8	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	79%	0.789	S	S	*	*			cis	-145.2	116	15.4	-172.6	14.9	0	0	0	110.6
910	E	26	Very low	27.9	Very low	175 Å²	175	142.9 Å²	142.9	82%	0.818	78%	0.779	S	S	*	*			trans	-133.6	140.6	172.5	-174.6	170.9	-143.3	0	0	110.9
911	S	32.8	Very low	27.5	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	78%	0.775	S	S	*	*			trans	66.7	66	164.9	66.7	0	0	0	0	119.7
912	A	24.5	Very low	27.7	Very low	94 Å²	94	142.9 Å²	142.9	78%	0.777	77%	0.769	S	S	*	*			trans	-148.1	132.3	150	0	0	0	0	0	111.8
913	W	22.2	Very low	27.8	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.879	77%	0.766	S	S	*	*			cis	-165.3	157.2	-15.4	-128	36	0	0	0	108.4
914	S	25.5	Very low	28	Very low	94 Å²	94	144.2 Å²	144.2	66%	0.657	76%	0.76	S	S	*	*			trans	68.5	164.2	154.8	-59.8	0	0	0	0	121.9
915	C	27.9	Very low	28.2	Very low	114 Å²	114	145.5 Å²	145.5	77%	0.77	76%	0.759	S	S	*	*			trans	76.5	125.5	161.6	-62.8	0	0	0	0	120
916	H	32.1	Very low	28.2	Very low	183 Å²	183	144 Å²	144	85%	0.847	76%	0.758	S	S	*	*			cis	-156.7	171.2	-21.9	-142.1	-94.6	0	0	0	112.1
917	R	34.8	Very low	28.4	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.898	76%	0.759	S	S	*	*			trans	-84.4	127.6	-174.2	177	-167.9	-69.2	-168.3	-2.7	114.2
918	G	28.5	Very low	28.3	Very low	61 Å²	61	139.5 Å²	139.5	63%	0.629	75%	0.753	S	S	*	*			trans	174.7	133.6	166.8	0	0	0	0	0	110
919	R	30.8	Very low	28.3	Very low	216 Å²	216	138.4 Å²	138.4	82%	0.815	75%	0.748	S	S	*	*				64.4	129	68.2	-75.5	-165.8	168.6	-99	6.2	112.9
920	D	29.1	Very low	28.4	Very low	102 Å²	102	137.2 Å²	137.2	55%	0.545	75%	0.746	S	S	.	*			cis	-156.1	151.9	8.5	-99.6	-33.5	0	0	0	114.3
921	Y	29.5	Very low	28.4	Very low	190 Å²	190	135.2 Å²	135.2	75%	0.745	74%	0.741	S	S	*	*			trans	65.1	118.1	144.3	-79.8	-120.3	0	0	0	125.6
922	L	32	Very low	28.1	Very low	148 Å²	148	136.1 Å²	136.1	78%	0.775	74%	0.737	S	S	*	*			trans	56.5	155.1	130.1	-58.7	-172.8	0	0	0	123.4
923	C	27.6	Very low	28.1	Very low	101 Å²	101	138.2 Å²	138.2	68%	0.682	73%	0.73	S	S	*	*			cis	-177.8	164.2	-25.7	-170.4	0	0	0	0	111
924	S	30	Very low	28.4	Very low	90 Å²	90	137.1 Å²	137.1	63%	0.629	73%	0.728	S	S	*	*			trans	70.3	136	160.3	-72.6	0	0	0	0	117.9
925	K	27.9	Very low	28.4	Very low	180 Å²	180	135.7 Å²	135.7	78%	0.783	73%	0.727	S	S	*	*			cis	-149.2	155.4	0.9	-89	137.4	-174.1	177.2	0	108.3
926	S	27.1	Very low	28.3	Very low	97 Å²	97	139 Å²	139	68%	0.678	73%	0.732	S	S	*	*			cis	89.4	137	13.5	84.9	0	0	0	0	118.3
927	V	28.5	Very low	28	Very low	129 Å²	129	136 Å²	136	78%	0.782	73%	0.726	S	S	*	*			trans	87.1	127.9	176.5	-174.9	0	0	0	0	116.3
928	G	23.8	Very low	27.6	Very low	72 Å²	72	129.6 Å²	129.6	74%	0.742	72%	0.718	S	S	*	*			trans	-118.6	149.5	153.5	0	0	0	0	0	109.4
929	N	26.2	Very low	27.7	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	72%	0.723	S	S	*	*			trans	-126.4	125	176.4	-105	-6.3	0	0	0	107.8
930	V	29.1	Very low	27.7	Very low	118 Å²	118	131 Å²	131	72%	0.715	73%	0.726	S	S	*	*				76.4	92.6	90.4	172.5	0	0	0	0	112.5
931	N	26.1	Very low	27.8	Very low	133 Å²	133	137.1 Å²	137.1	71%	0.711	74%	0.741	S	S	*	*				70.7	139.6	112.6	-145.3	23.1	0	0	0	121.1
932	L	27.1	Very low	27.8	Very low	125 Å²	125	134.8 Å²	134.8	65%	0.654	74%	0.739	S	S	*	*			trans	72.6	134.6	141.2	-127.5	72.2	0	0	0	123.1
933	E	25	Very low	27.7	Very low	138 Å²	138	135 Å²	135	65%	0.645	73%	0.734	S	S	*	*			trans	86.3	142.8	131.8	-110.3	177.3	-175.5	0	0	123.7
934	Y	27.7	Very low	28.4	Very low	210 Å²	210	135.4 Å²	135.4	82%	0.824	74%	0.735	S	S	*	*			trans	49.7	149.2	169.7	-69	-78.8	0	0	0	118.3
935	G	26	Very low	28.3	Very low	63 Å²	63	136.5 Å²	136.5	65%	0.649	73%	0.734	S	S	*	*			cis	150.2	160.9	10	0	0	0	0	0	108.6
936	E	25.7	Very low	28.6	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.864	73%	0.73	S	S	*	*			trans	-55.4	150.4	178.8	-53.2	160.6	107.1	0	0	111.2
937	T	26.2	Very low	28.8	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.724	72%	0.724	S	S	*	*				178.1	145.8	69	45.7	0	0	0	0	114.4
938	S	26.9	Very low	29	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	71%	0.708	S	S	*	*			trans	73.7	159.3	139.4	85.5	0	0	0	0	123.8
939	S	29.9	Very low	29.5	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	71%	0.708	S	S	*	*			trans	68.6	124.5	159	-51.8	0	0	0	0	117.8
940	K	31.1	Very low	29.6	Very low	202 Å²	202	135 Å²	135	88%	0.878	71%	0.705	S	S	*	*			cis	82.4	131.7	34.1	-64.7	-171.6	173.7	179.3	0	116.2
941	R	31.1	Very low	29.8	Very low	230 Å²	230	136.8 Å²	136.8	87%	0.868	71%	0.705	S	S	*	*			trans	84.1	146.2	172.8	-66.4	-170.6	163.1	150.3	-3.7	116.4
942	M	28.6	Very low	30.1	Very low	141 Å²	141	136.7 Å²	136.7	70%	0.695	70%	0.704	S	S	*	*			cis	-150.6	139.4	-11.3	-94	-105.9	135.4	0	0	107.8
943	K	30.3	Very low	30.1	Very low	154 Å²	154	136.8 Å²	136.8	67%	0.67	70%	0.704	S	S	*	*				60.9	139.4	86.3	-113.9	-157.2	179	-156.8	0	114.9	N945	K943-N945 PolarHBondContact NZ-OD1 2.94Å
944	P	41.9	Very low	30.2	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	71%	0.713	S	S	*	*				-146.9	152.7	65	40.4	-22.6	0	0	0	119.1
945	N	29.1	Very low	30.2	Very low	113 Å²	113	129.9 Å²	129.9	60%	0.604	71%	0.708	S	S	*	*			trans	56.5	150.1	134	-60.8	-5	0	0	0	122.3	K943	K943-N945 PolarHBondContact NZ-OD1 2.94Å
946	L	33	Very low	30.2	Very low	134 Å²	134	135.9 Å²	135.9	70%	0.702	72%	0.721	S	S	*	*			cis	-168	161.8	-4	-120	174.8	0	0	0	112.6
947	L	30.8	Very low	30.3	Very low	105 Å²	105	130.7 Å²	130.7	55%	0.55	71%	0.71	S	S	.	*			trans	67.6	144.7	164.2	-57.3	173.4	0	0	0	119.1	D831 S832	D831-L947 CarbonylContact O-C 3.47Å; D831-L947 WeakPolarHBondContact O-CB 3.33Å; S832-L947 PolarHBondContact N-O 3.11Å
948	A	32.8	Very low	30.3	Very low	54 Å²	54	131.9 Å²	131.9	45%	0.446	71%	0.711	S	S	.	*			cis	-170.7	147.9	-16.9	0	0	0	0	0	114.2
949	I	34.5	Very low	30.3	Very low	146 Å²	146	137.4 Å²	137.4	75%	0.749	72%	0.718	S	S	*	*			trans	57.4	134.9	131.5	-69.1	171.6	0	0	0	119.8
950	E	28.8	Very low	30.2	Very low	149 Å²	149	143.2 Å²	143.2	70%	0.696	72%	0.724	S	S	*	*			cis	-154.4	147.9	-2.6	-105.5	168.4	-163.2	0	0	108.1
951	H	33.9	Very low	29.9	Very low	156 Å²	156	144.6 Å²	144.6	72%	0.722	72%	0.723	S	S	*	*				68.9	147.4	75.8	-111.8	-47.4	0	0	0	112.8	D953	H951-D953 IonicContact CE1-OD1 3.77Å; H951-D953 IonicContact ND1-OD1 3.65Å
952	I	31.5	Very low	29.6	Very low	131 Å²	131	139 Å²	139	67%	0.672	72%	0.719	S	S	*	*			cis	-150.1	137.9	26	-65.4	-174.7	0	0	0	111.8
953	D	28	Very low	29.4	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	73%	0.725	S	S	*	*			trans	28	172.1	137	-36.4	-11.6	0	0	0	122.1	H951	H951-D953 IonicContact CE1-OD1 3.77Å; H951-D953 IonicContact ND1-OD1 3.65Å
954	S	26.4	Very low	29.2	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	73%	0.731	S	S	*	*			cis	-157	177.3	15	-152.8	0	0	0	0	113.7
955	A	27.2	Very low	28.5	Very low	85 Å²	85	140.4 Å²	140.4	70%	0.702	73%	0.728	S	S	*	*			trans	-106.9	160.4	-175.4	0	0	0	0	0	113.6
956	M	26.5	Very low	28.6	Very low	189 Å²	189	145.8 Å²	145.8	93%	0.931	74%	0.74	S	S	*	*			trans	-175.9	149.3	133.4	-106.5	-167.5	-167	0	0	116.3
957	A	26.9	Very low	28.2	Very low	76 Å²	76	149.2 Å²	149.2	63%	0.628	75%	0.75	S	S	*	*			trans	58.1	120.5	140.3	0	0	0	0	0	123.2
958	N	27.4	Very low	27.9	Very low	142 Å²	142	154.8 Å²	154.8	76%	0.759	76%	0.764	S	S	*	*				37.5	121.6	125.2	-53	-42.8	0	0	0	120.3
959	Y	26.6	Very low	27.9	Very low	221 Å²	221	159 Å²	159	87%	0.867	78%	0.783	S	S	*	*				-178.4	171.9	99.6	-114.6	-89	0	0	0	113.5
960	R	28.1	Very low	27.5	Very low	226 Å²	226	156.7 Å²	156.7	85%	0.853	79%	0.787	S	S	*	*			trans	-70.3	151.1	169	-32.1	175.9	-170.7	-170	2.2	111.3
961	R	23.7	Very low	27.5	Very low	231 Å²	231	156 Å²	156	87%	0.872	79%	0.788	S	S	*	*				-173.9	154.1	114.3	-170.5	163.9	-67.5	-138.1	3.9	111.1
962	C	25	Very low	27.6	Very low	114 Å²	114	157.9 Å²	157.9	77%	0.77	79%	0.788	S	S	*	*			trans	-107.8	130	166.2	173.8	0	0	0	0	108.4
963	E	25.3	Very low	27.5	Very low	175 Å²	175	160.4 Å²	160.4	82%	0.818	79%	0.791	S	S	*	*			trans	-170.8	154.4	145.8	-112.9	170.9	160.3	0	0	116.2
964	M	25.8	Very low	27.8	Very low	164 Å²	164	158.5 Å²	158.5	81%	0.808	79%	0.792	S	S	*	*			trans	-31.6	144.1	169.1	-141.4	73.8	66.1	0	0	119.2
965	S	27.3	Very low	27.9	Very low	92 Å²	92	159.9 Å²	159.9	64%	0.643	79%	0.79	S	S	*	*				147.6	140.4	101.6	65.7	0	0	0	0	119.6
966	R	30.9	Very low	28.1	Very low	226 Å²	226	162.4 Å²	162.4	85%	0.853	79%	0.791	S	S	*	*			trans	38.7	127.1	138.4	-58	171.5	-173.7	153.4	-0	123.4
967	F	25.6	Very low	28.3	Very low	206 Å²	206	160.7 Å²	160.7	90%	0.904	79%	0.785	S	S	*	*			trans	-137.7	157.2	132.9	-89.2	-94.6	0	0	0	108.1
968	R	24.1	Very low	29.1	Very low	223 Å²	223	162.1 Å²	162.1	84%	0.842	79%	0.788	S	S	*	*			cis	87.4	65.2	4.5	-70.9	-162.2	161.4	-142	-5.5	121.2
969	V	31.8	Very low	29.1	Very low	141 Å²	141	164.3 Å²	164.3	86%	0.855	79%	0.793	S	S	*	*				31.2	123.2	115.6	-178.7	0	0	0	0	119.4
970	A	27.7	Very low	29.1	Very low	99 Å²	99	161.7 Å²	161.7	82%	0.818	79%	0.789	S	S	*	*				178.6	169.4	123	0	0	0	0	0	112.1
971	N	28.4	Very low	28.9	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	78%	0.782	S	S	*	*			cis	-179.2	177.3	-45.1	-167	10	0	0	0	108.6
972	R	35.4	Very low	29.1	Very low	195 Å²	195	150 Å²	150	74%	0.736	78%	0.777	S	S	*	*			trans	85.5	147	165	-50.5	179.6	-172.7	-147.4	0.9	116.6
973	Y	30	Very low	29.1	Very low	185 Å²	185	156.6 Å²	156.6	73%	0.725	79%	0.785	S	S	*	*			cis	-161.8	155.4	-20.9	-85.5	-36.1	0	0	0	106.4
974	A	33.9	Very low	29.2	Very low	85 Å²	85	154.6 Å²	154.6	70%	0.702	79%	0.785	S	S	*	*			cis	93.3	121.1	17.5	0	0	0	0	0	117
975	N	27.8	Very low	29.4	Very low	148 Å²	148	156.2 Å²	156.2	79%	0.791	79%	0.788	S	S	*	*			trans	-140.2	123	172.5	-87.4	-31.4	0	0	0	110.2
976	L	31.9	Very low	29.7	Very low	138 Å²	138	158.1 Å²	158.1	72%	0.723	80%	0.798	S	S	*	*				75.5	134.6	105.3	-55.3	-174.2	0	0	0	115.7
977	L	30.7	Very low	29.6	Very low	153 Å²	153	152.8 Å²	152.8	80%	0.801	80%	0.795	S	S	*	*			cis	-156.4	-173.7	-4.6	-103	173.8	0	0	0	109.9
978	P	44	Very low	29.8	Very low	106 Å²	106	148.3 Å²	148.3	69%	0.688	79%	0.789	S	S	*	*			trans	-125.6	-168.1	-152.1	47.4	-35.9	0	0	0	115.5
979	Q	26.4	Very low	30	Very low	188 Å²	188	143.6 Å²	143.6	88%	0.879	79%	0.79	S	S	*	*				-164.3	-174.5	122.6	-153.4	143.4	32.1	0	0	112.6
980	E	27.3	Very low	29.9	Very low	167 Å²	167	140.5 Å²	140.5	78%	0.78	79%	0.787	S	S	*	*			trans	-130.7	179	-159	-47.5	176.5	123.7	0	0	115.4
981	C	24.4	Very low	29.9	Very low	104 Å²	104	143.7 Å²	143.7	70%	0.703	79%	0.789	S	S	*	*			trans	77.5	100.7	144.7	-74.9	0	0	0	0	122.9
982	S	27.1	Very low	30.7	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	79%	0.791	S	S	*	*				55.8	134	121.1	70.6	0	0	0	0	123.2
983	R	25.7	Very low	30.4	Very low	251 Å²	251	139.5 Å²	139.5	95%	0.947	79%	0.793	S	S	*	*			trans	-160.6	175.6	133.4	-116.3	172.9	-172.3	-162.6	1.3	114.3
984	T	26.8	Very low	30.7	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	80%	0.797	S	S	*	*			trans	-104.9	176.2	-161.6	49	0	0	0	0	115.2
985	K	30.4	Very low	30.5	Very low	199 Å²	199	145.4 Å²	145.4	87%	0.865	81%	0.809	S	S	*	*			trans	-46.6	155.1	174.7	-58	-179.2	179.3	-178.7	0	114.5
986	P	34	Very low	30.6	Very low	132 Å²	132	141.4 Å²	141.4	86%	0.857	80%	0.803	S	S	*	*				-132.7	-164.2	107.4	39.6	-31.2	0	0	0	114
987	S	27.5	Very low	30.5	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	81%	0.81	S	S	*	*			trans	-156	146.3	-164.5	54.8	0	0	0	0	114.3
988	S	30.4	Very low	30.5	Very low	111 Å²	111	142 Å²	142	78%	0.776	81%	0.806	S	S	*	*			trans	-174.9	155.3	161.2	52	0	0	0	0	115.9
989	S	29.3	Very low	29.7	Very low	124 Å²	124	143.9 Å²	143.9	87%	0.867	81%	0.811	S	S	*	*			trans	68.5	152.9	162.9	71.5	0	0	0	0	119.2
990	G	28.1	Very low	29.9	Very low	76 Å²	76	139 Å²	139	78%	0.784	80%	0.797	S	S	*	*			cis	177.8	156.6	-6.2	0	0	0	0	0	113.3
991	L	27.7	Very low	30	Very low	166 Å²	166	137.8 Å²	137.8	87%	0.869	80%	0.796	S	S	*	*			trans	-92.7	157.2	178.4	-75	169	0	0	0	112.9
992	P	45.4	Very low	30.4	Very low	114 Å²	114	140 Å²	140	74%	0.74	80%	0.801	S	S	*	*				-133.7	145.9	98.8	6.5	17.2	0	0	0	113.7
993	T	28.9	Very low	30.7	Very low	127 Å²	127	141 Å²	141	78%	0.779	80%	0.802	S	S	*	*				80.1	142.2	71.5	-53.9	0	0	0	0	114.5
994	K	36.7	Very low	31	Very low	188 Å²	188	136 Å²	136	82%	0.817	79%	0.794	S	S	*	*			cis	170.9	135.8	-40.3	-128.3	-172.6	179.4	-176	0	108
995	Q	30.7	Very low	32.2	Very low	206 Å²	206	134.8 Å²	134.8	96%	0.963	79%	0.789	S	S	*	*			trans	154.3	144.3	154.6	-91.2	165	1.9	0	0	110.3
996	G	29.6	Very low	33.3	Very low	64 Å²	64	130 Å²	130	66%	0.66	78%	0.778	S	S	*	*			cis	164	149.6	-13.6	0	0	0	0	0	113.8
997	L	28.9	Very low	33.2	Very low	167 Å²	167	130.6 Å²	130.6	87%	0.874	77%	0.774	S	S	*	*			trans	68.3	163.9	167.3	-43.9	176.5	0	0	0	117
998	L	30.2	Very low	33.4	Very low	137 Å²	137	130.4 Å²	130.4	72%	0.717	77%	0.768	S	S	*	*			cis	-161	163.7	-39.9	-103.2	178.1	0	0	0	108.2
999	N	28.1	Very low	33.5	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	77%	0.769	S	S	*	*			trans	4.9	156.4	145.5	-59.8	17	0	0	0	120
1000	S	31	Very low	33.5	Very low	86 Å²	86	132.1 Å²	132.1	60%	0.601	76%	0.762	S	S	*	*			cis	-171.7	157.8	6	131.1	0	0	0	0	109.1
1001	D	29.5	Very low	33.7	Very low	142 Å²	142	134.1 Å²	134.1	76%	0.759	76%	0.759	S	S	*	*			trans	26.7	162.7	142.1	-30.5	-47.5	0	0	0	121.3
1002	D	32.1	Very low	33.7	Very low	149 Å²	149	134 Å²	134	80%	0.797	76%	0.758	S	S	*	*			cis	-161.9	-152.1	11.3	-151.7	-41.3	0	0	0	109.4
1003	V	33	Very low	33	Very low	129 Å²	129	137.6 Å²	137.6	78%	0.782	76%	0.762	S	S	*	*			trans	109.4	84.1	154.5	-170.4	0	0	0	0	117.5
1004	D	33	Very low	33.8	Very low	146 Å²	146	137.3 Å²	137.3	78%	0.781	76%	0.763	S	S	*	*			trans	-66.4	159	134.1	-108.1	-48.8	0	0	0	109.6
1005	P	51.1	Low	33.4	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	77%	0.765	S	S	*	*				-154.5	-149.2	53.3	37.5	-10.9	0	0	0	114.2
1006	P	53.6	Low	33.7	Very low	99 Å²	99	134.7 Å²	134.7	64%	0.643	75%	0.746	S	S	*	*				-131.4	179.8	-66	37.6	-20.6	0	0	0	115.1
1007	N	31.6	Very low	34.9	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	75%	0.747	S	S	*	*			trans	57.3	156.3	139	-79.7	-4.6	0	0	0	123.2
1008	V	32.6	Very low	35.2	Very low	111 Å²	111	138 Å²	138	67%	0.673	74%	0.741	S	S	*	*			cis	-177.3	171.5	-28.2	114.9	0	0	0	0	109
1009	L	33.4	Very low	35.2	Very low	152 Å²	152	136.3 Å²	136.3	80%	0.796	74%	0.742	S	S	*	*			trans	70.2	154.5	178.8	-65	155.3	0	0	0	114.5
1010	T	28.5	Very low	35.3	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	74%	0.741	S	S	*	*			cis	-167.4	164.4	7.5	11.8	0	0	0	0	108.3
1011	V	32.3	Very low	35.1	Very low	119 Å²	119	134 Å²	134	72%	0.721	75%	0.748	S	S	*	*			cis	-176.4	174.8	-25.3	69.1	0	0	0	0	110.3
1012	L	28.7	Very low	35.2	Very low	163 Å²	163	132.3 Å²	132.3	85%	0.853	75%	0.748	S	S	*	*			trans	82.7	155.4	163.8	-77.7	170.1	0	0	0	121.6
1013	K	29.5	Very low	35	Very low	189 Å²	189	132.8 Å²	132.8	82%	0.822	75%	0.749	S	S	*	*			trans	-109.4	170.7	-170.6	-50.3	-178	175.9	-174.9	0	112.8
1014	P	46.7	Very low	34.8	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	75%	0.754	S	S	*	*				-135.7	-177.6	82.8	44.4	-32.9	0	0	0	112.1
1015	Y	28.2	Very low	34.5	Very low	219 Å²	219	134.7 Å²	134.7	86%	0.859	75%	0.747	S	S	*	*			cis	-146.9	-146.1	-2.2	-154.7	-125.1	0	0	0	111.3
1016	E	36.4	Very low	33.4	Very low	121 Å²	121	135.1 Å²	135.1	57%	0.565	75%	0.752	S	S	*	*			trans	-146.4	-168.1	172.2	-124.8	-163.2	159.9	0	0	109	Y1018	E1016-Y1018 WeakPolarHBondContact OE1-CD1 3.31Å
1017	P	54.4	Low	32.1	Very low	106 Å²	106	136.1 Å²	136.1	69%	0.688	76%	0.76	S	S	*	*			cis	-112.6	162.4	7.2	13.2	12.1	0	0	0	114.1
1018	Y	35	Very low	31.9	Very low	193 Å²	193	132.5 Å²	132.5	76%	0.757	76%	0.757	S	S	*	*			cis	-151.8	-159.8	3.9	-112.4	-31.5	0	0	0	108.2	E1016	E1016-Y1018 WeakPolarHBondContact OE1-CD1 3.31Å
1019	S	30.9	Very low	31.8	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	76%	0.763	S	S	*	*			cis	-164.9	179.1	22.5	-155.4	0	0	0	0	113.5
1020	S	31.1	Very low	31.9	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	76%	0.76	S	S	*	*			trans	-72.2	163.3	173.6	-39.5	0	0	0	0	113.5
1021	G	26.8	Very low	32	Very low	73 Å²	73	133.1 Å²	133.1	75%	0.753	77%	0.77	S	S	*	*			cis	88.3	147.3	12.2	0	0	0	0	0	113.3
1022	S	29.6	Very low	31.9	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	77%	0.768	S	S	*	*			cis	-169.1	172.6	-15.8	-167.9	0	0	0	0	109.6
1023	L	29.1	Very low	31.9	Very low	158 Å²	158	131.4 Å²	131.4	83%	0.827	77%	0.767	S	S	*	*			trans	67.5	120.9	163.6	-52.5	179.3	0	0	0	120.9
1024	Y	27.7	Very low	31.8	Very low	225 Å²	225	128.2 Å²	128.2	88%	0.882	76%	0.764	S	S	*	*				-154.2	167.8	103.8	-134.5	-98.4	0	0	0	113.2
1025	S	28	Very low	31	Very low	91 Å²	91	128.1 Å²	128.1	64%	0.636	76%	0.761	S	S	*	*			trans	-74.1	156.2	-168.8	-53.6	0	0	0	0	114.8
1026	S	27.9	Very low	31.2	Very low	116 Å²	116	122.3 Å²	122.3	81%	0.811	75%	0.752	S	S	*	*				48.9	140.4	88	-138.9	0	0	0	0	114.4
1027	C	26.3	Very low	31	Very low	120 Å²	120	121 Å²	121	81%	0.811	76%	0.756	S	S	*	*			cis	-169.2	-179.5	34.8	56.9	0	0	0	0	112.8
1028	G	27.7	Very low	29.9	Very low	68 Å²	68	121.8 Å²	121.8	70%	0.701	76%	0.759	S	S	*	*			trans	99.4	118.6	166.3	0	0	0	0	0	114.1
1029	S	29.3	Very low	30	Very low	114 Å²	114	118.6 Å²	118.6	80%	0.797	76%	0.76	S	S	*	*			cis	82.8	101.6	21.9	-51.7	0	0	0	0	117.3
1030	S	35.2	Very low	30.1	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	76%	0.758	S	S	*	*			trans	50.2	119.6	135.3	63.6	0	0	0	0	121.6
1031	N	30.8	Very low	30.1	Very low	175 Å²	175	118.9 Å²	118.9	94%	0.936	76%	0.757	S	S	*	*			trans	-152.9	160.8	131.3	-90.1	-42.2	0	0	0	106.5
1032	G	30	Very low	30.5	Very low	65 Å²	65	123 Å²	123	67%	0.67	75%	0.754	S	S	*	*			cis	149	78	11.7	0	0	0	0	0	108.5
1033	Q	28.7	Very low	30.4	Very low	181 Å²	181	129.5 Å²	129.5	85%	0.846	76%	0.762	S	S	*	*			trans	14	137.4	149.2	-80.9	-171.4	-13.5	0	0	121.3
1034	V	28.6	Very low	30.3	Very low	123 Å²	123	126.5 Å²	126.5	75%	0.745	75%	0.754	S	S	*	*			trans	75.1	142.7	137	177.7	0	0	0	0	113.9
1035	T	29.9	Very low	30.3	Very low	118 Å²	118	122.1 Å²	122.1	72%	0.724	75%	0.751	S	S	*	*			cis	-155.9	168.1	35.3	-21	0	0	0	0	112.8
1036	S	31.2	Very low	30.3	Very low	97 Å²	97	122.3 Å²	122.3	68%	0.678	75%	0.752	S	S	*	*			trans	9.7	158	140.8	66.6	0	0	0	0	122.7
1037	S	32	Very low	30.3	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	75%	0.751	S	S	*	*			cis	175.2	155.1	-12.1	53.5	0	0	0	0	110.4
1038	T	32.6	Very low	30.4	Very low	123 Å²	123	127.1 Å²	127.1	76%	0.755	74%	0.742	S	S	*	*			trans	35.5	135.6	145.1	60.6	0	0	0	0	121.4
1039	V	35.5	Very low	30.4	Very low	126 Å²	126	130.5 Å²	130.5	76%	0.764	74%	0.74	S	S	*	*				-179.3	158.7	87.3	152.2	0	0	0	0	112.2
1040	E	33.6	Very low	30.4	Very low	147 Å²	147	132.3 Å²	132.3	69%	0.687	74%	0.74	S	S	*	*			trans	-27.6	161.6	172.8	-49.6	179.3	88.9	0	0	124.5	K1042	E1040-K1042 WeakPolarHBondContact OE1-CE 3.43Å; E1040-K1042 IonicContact OE1-NZ 2.73Å; E1040-K1042 PolarHBondContact OE1-NZ 3.26Å; E1040-K1042 IonicContact OE2-NZ 3.14Å
1041	G	31.2	Very low	30	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	74%	0.737	S	S	*	*			trans	156.7	104.5	144.8	0	0	0	0	0	113.4
1042	K	35.7	Very low	30	Very low	160 Å²	160	130.5 Å²	130.5	70%	0.696	73%	0.729	S	S	*	*				82.7	121.4	53.1	-71.9	174	167.2	163.5	0	115.2	E1040	E1040-K1042 WeakPolarHBondContact OE1-CE 3.43Å; E1040-K1042 IonicContact OE1-NZ 2.73Å; E1040-K1042 PolarHBondContact OE1-NZ 3.26Å; E1040-K1042 IonicContact OE2-NZ 3.14Å
1043	R	26.9	Very low	29.9	Very low	243 Å²	243	132.3 Å²	132.3	92%	0.917	73%	0.732	S	S	*	*			trans	77.4	156.4	172.7	-55.7	178.7	-176.5	132	-3.7	116.5
1044	S	27.4	Very low	30.1	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	72%	0.724	S	S	*	*			cis	-175.8	148.2	-30	57.7	0	0	0	0	112.8
1045	V	27	Very low	30.4	Very low	133 Å²	133	130.9 Å²	130.9	81%	0.806	72%	0.722	S	S	*	*			trans	79.3	133.6	144.1	166	0	0	0	0	121.8
1046	S	29.6	Very low	30.5	Very low	95 Å²	95	131.2 Å²	131.2	66%	0.664	72%	0.715	S	S	*	*			trans	73.2	117	148.5	71.7	0	0	0	0	126.1
1047	Y	26.8	Very low	30.7	Very low	198 Å²	198	133.4 Å²	133.4	78%	0.776	71%	0.713	S	S	*	*				74.9	146.4	122.6	-95	-81.4	0	0	0	125.8
1048	H	28.1	Very low	30.7	Very low	138 Å²	138	138.5 Å²	138.5	64%	0.639	72%	0.718	S	S	*	*			trans	67.5	148.8	157.4	-69	-61.3	0	0	0	118
1049	H	28.8	Very low	30.5	Very low	140 Å²	140	136.9 Å²	136.9	65%	0.648	71%	0.712	S	S	*	*			cis	-159.8	144.3	-4.6	-123.8	-42	0	0	0	111.7
1050	L	29	Very low	30.3	Very low	152 Å²	152	140.2 Å²	140.2	80%	0.796	71%	0.712	S	S	*	*			trans	67.1	161.1	154.7	-56.9	169.8	0	0	0	117.6
1051	S	27	Very low	30.3	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	71%	0.71	S	S	*	*			cis	-145.9	141.2	6.1	58.5	0	0	0	0	114.2
1052	N	31	Very low	30.3	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	71%	0.708	S	S	*	*			trans	40.2	147.3	145.6	-55.6	-12.1	0	0	0	121.4
1053	S	26.6	Very low	30.1	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	71%	0.709	S	S	*	*			cis	-144.2	129.9	20.9	178.9	0	0	0	0	109.3
1054	M	34.2	Very low	30.4	Very low	139 Å²	139	137.5 Å²	137.5	69%	0.685	70%	0.704	S	S	*	*				59.3	124.6	74.4	-73.4	-61.9	-176.9	0	0	111.9
1055	L	33.6	Very low	30.5	Very low	135 Å²	135	135.8 Å²	135.8	71%	0.707	70%	0.702	S	S	*	*			cis	-163.9	167.3	20.4	-88.5	153.5	0	0	0	109.4
1056	Q	33.4	Very low	30.7	Very low	124 Å²	124	137.6 Å²	137.6	58%	0.579	71%	0.707	S	S	*	*			cis	-173.6	159.6	-25.4	-139	-177.9	30.9	0	0	111.2
1057	K	34.6	Very low	30.9	Very low	143 Å²	143	136.6 Å²	136.6	62%	0.622	70%	0.704	S	S	*	*			trans	69.2	150.4	148	-84	171.7	-172.5	150.9	0	119.4
1058	R	31.4	Very low	31.2	Very low	201 Å²	201	135.3 Å²	135.3	76%	0.758	71%	0.705	S	S	*	*			cis	-164.6	147.5	-7.8	-140.3	174.4	-172.1	162.3	-2.6	112.5
1059	S	29.6	Very low	31.1	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	71%	0.713	S	S	*	*			trans	42.8	149.5	137.6	63.9	0	0	0	0	123.2
1060	Y	30.6	Very low	31.3	Very low	196 Å²	196	141.8 Å²	141.8	77%	0.769	72%	0.723	S	S	*	*			cis	-166.1	164.6	0.6	-125.7	-145	0	0	0	109.9
1061	E	33.9	Very low	32.4	Very low	139 Å²	139	139.7 Å²	139.7	65%	0.65	72%	0.719	S	S	*	*			trans	28	151.4	144.7	-60.3	-168.1	129.2	0	0	123.4
1062	N	30.8	Very low	32.5	Very low	127 Å²	127	140.7 Å²	140.7	68%	0.679	73%	0.726	S	S	*	*			cis	-160.6	-141.4	-16.2	-84.5	-29.5	0	0	0	105.4
1063	L	31.4	Very low	32.7	Very low	138 Å²	138	141 Å²	141	72%	0.723	73%	0.727	S	S	*	*			cis	-167.7	126.8	-4.9	-170.3	62.4	0	0	0	111.9
1064	I	32.8	Very low	33.2	Very low	160 Å²	160	145.9 Å²	145.9	82%	0.821	74%	0.736	S	S	*	*			trans	57.8	147	157	-64.5	168.8	0	0	0	119.1
1065	G	29.6	Very low	33.4	Very low	60 Å²	60	148.5 Å²	148.5	62%	0.619	74%	0.743	S	S	*	*			cis	156.4	157.2	-9.4	0	0	0	0	0	114.5
1066	N	32.6	Very low	33.6	Very low	170 Å²	170	152.4 Å²	152.4	91%	0.909	77%	0.773	S	S	*	*			trans	64.8	153.7	166.3	-70.3	-11.3	0	0	0	120.8
1067	A	32.5	Very low	33.6	Very low	74 Å²	74	153.9 Å²	153.9	61%	0.612	78%	0.783	S	S	*	*			cis	-171.2	166.3	-21.4	0	0	0	0	0	114.2
1068	H	32.9	Very low	33.5	Very low	172 Å²	172	154.4 Å²	154.4	80%	0.796	79%	0.791	S	S	*	*			trans	80.5	148	148.8	-77.7	-63.4	0	0	0	126.5
1069	F	27.6	Very low	33.6	Very low	184 Å²	184	151.8 Å²	151.8	81%	0.807	79%	0.793	S	S	*	*			trans	83.5	94.4	150.5	-87.5	-67.6	0	0	0	125.4
1070	R	32	Very low	33.9	Very low	229 Å²	229	155.5 Å²	155.5	86%	0.864	80%	0.803	S	S	*	*				35.9	172.7	117.5	-110.3	-157.3	165.7	-139.6	-2	122.9
1071	P	52.2	Low	34.1	Very low	108 Å²	108	153 Å²	153	70%	0.701	81%	0.805	S	S	*	*				-127.1	-170.2	-127.4	43.9	-24	0	0	0	115.8
1072	S	29.6	Very low	34.1	Very low	117 Å²	117	153.9 Å²	153.9	82%	0.818	82%	0.816	S	S	*	*			trans	-146	136	174.3	47.6	0	0	0	0	115
1073	D	34.7	Very low	34.3	Very low	151 Å²	151	155.9 Å²	155.9	81%	0.807	83%	0.825	S	S	*	*			trans	-84.2	157.2	160.6	-54.6	-82.9	0	0	0	110.9
1074	K	36.5	Very low	34.6	Very low	207 Å²	207	157.2 Å²	157.2	90%	0.9	83%	0.833	S	S	*	*				179.9	161.9	117.2	-97.4	155	-169.6	171.3	0	115.4
1075	K	38.7	Very low	34.7	Very low	195 Å²	195	157 Å²	157	85%	0.848	83%	0.834	S	S	*	*			trans	-61.9	148.8	177.2	-46.5	169.6	-179.7	-179.4	0	113.4
1076	T	37.6	Very low	35.2	Very low	217 Å²	217	165.8 Å²	165.8	100%	1.331	85%	0.854	S	S	*	*				-135.3	0	114.9	17.7	0	0	0	0	108.1

Retrieved 1,076 of 1,076 residues in 258.7 ms (Link to these results)

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