A0A3Q0KP90_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KP90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,373 aa.

						>A0A3Q0KP90_SCHMA|A0A3Q0KP90
MEHNTLFALQSTSSIVNKFSQHKSRLMKTGYKRIRPLCNEMNLKKMNRTDNDDNDVDEDDSMEDQRINIQNDNLKQQQQYHQEQDVITHQSVLHRSLAECLKRLCNEIQCNQFLPITMNSSMNTDTIMSINNDYTNCITTSITTPTPTTIITDTNVSTYPTQALDLSITSNMTSNESISNNSLNIINTFKNSLSPSPTLSSYYSLNSNSNNFASRTLSSSSSDSSTSLMSSFSSNTMSQQEYQQKNTVSLTNITNQTDSLINILNYETSNIINANINNSNNSCSQKQTTPYDSSNIINTAQTLLFPGLTSTIFNLPSCLTCTNTLTPMKSVTDQLIKEKVEQDEIQEELFTKISKAIYLHQNELSHNDNTTTNNTNNNSNINSNPSSVINNLLNPTELILNYATNYYLHGIHQPINNKYLIEGEEEDIVEGEEGEDMKKDEISTCTSPDETILKEFDNELSSKRVDSSDMDQLDLKTTSLWLTESDIHSIPNLVESIKKYHSNDECGFDVCRSSKLKEHYHCSIFNFLSLIILRREEMIRHAKWHRKREESMQYGFMRYSPCDDCTIISCPHNGRQTHYHCMQSNCDKVYVSTSDVQMHANYHRKDAVIIQEGFQRFRATEDCGITKCPFYKECTTHFHCRRNNCHFTFKNKADMEKHKVHHQKNDRFAQDGFRRYIKCENCDFPDCQYSGVINHIHCIRPGCDYVIHSSSQIMSHKRKHDRHITSFSPNYINILYHNDINQTFSSSNEINNHNNNEDLINNNNNNNNEINKTNFNIDSTLIDSLEIHKSLLIPLNNNLKQSFKNQSILLSDHNLNYEHNLNLNSNLNLNSNFNQIDLLFTNDYLNKIIKFINLCIYQRNNWEKSLLLINNFNYELNHENLLLYKKIDKILITIYQSYNQYTKKCSWPKCHSNINIDIATTTTTPTTNTTTNNSSINSNDSNSNNNDNDIKQKNEKSLKPWCKYWLSHLWDICLSYYTYIECNQLNCSMKSTTTTTNTTDNNNNGHIHCYYWPKCNFIHSIKDLNFQLLYEHLLTHNEQLINKLINLIHNYKQLNYNENQMNYYYVAMDTTLINSKRRGRPPKYAKHIYVPHINPPEHLCIDNKYTTDLTYSMFFDSSEFDNNHNYKTILRNPYDYNNNSFKHIKYAVKLYLTGEICPDINCPYYITQEQHYHCVKPRCYMATNNLDLINIHRREFHQYHIIENGFEYYDISINCRRPICHNNKINKHFHCCYPNCDYTFIRANTMKQHIKKHTENLKKSVKNKNNQFINTMVTNNISKLYSKSKQLPMTLNNIQNENMGNHSLLSINDHNNNNNNSNDNMIKKDCIEDSSLPGTLPIWATATAAMVTTMNDVKKMESISSSIKIDCSSECTK
					

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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	27.3	Very low	29.9	Very low	220 Å²	220	143.9 Å²	143.9	100%	1.084	75%	0.754	S	S	*	*				0	99.3	0	-66.1	156.6	-175.1	0	0	106.7
2	E	30.4	Very low	29.7	Very low	170 Å²	170	144 Å²	144	79%	0.794	77%	0.765	S	S	*	*				76.9	142.6	59	-67.7	162.3	-137.6	0	0	111.6
3	H	28.8	Very low	29.5	Very low	154 Å²	154	142.5 Å²	142.5	71%	0.713	77%	0.773	S	S	*	*			cis	-166.1	174	-21	-140.5	-62.6	0	0	0	105.7
4	N	31.4	Very low	29.5	Very low	113 Å²	113	139.8 Å²	139.8	60%	0.604	77%	0.77	S	S	*	*			trans	51.1	129.2	141.1	-75.8	-7.4	0	0	0	122.5
5	T	32	Very low	29.4	Very low	121 Å²	121	140.9 Å²	140.9	74%	0.742	77%	0.772	S	S	*	*			trans	67.5	170.1	133.7	69.1	0	0	0	0	117.6
6	L	28.3	Very low	29.1	Very low	135 Å²	135	139.5 Å²	139.5	71%	0.707	77%	0.769	S	S	*	*			cis	-149.6	170.1	-27.1	-135.8	71.8	0	0	0	107.5
7	F	29.6	Very low	29.1	Very low	189 Å²	189	140.1 Å²	140.1	83%	0.829	77%	0.771	S	S	*	*			trans	58.6	115.5	150.3	-93.1	-128.6	0	0	0	122.3
8	A	29.3	Very low	29.1	Very low	73 Å²	73	141.2 Å²	141.2	60%	0.603	77%	0.766	S	S	*	*				72.8	119	109.7	0	0	0	0	0	123.1
9	L	28.8	Very low	29	Very low	140 Å²	140	144.2 Å²	144.2	73%	0.733	77%	0.772	S	S	*	*				69.9	118.6	127.8	-61.5	172.8	0	0	0	121.8
10	Q	31	Very low	28.9	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	76%	0.763	S	S	*	*				54	141.6	122.8	-65.6	178	-18.2	0	0	121.2
11	S	32.1	Very low	29	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	76%	0.763	S	S	*	*			cis	-168.4	134.4	-9	43.7	0	0	0	0	112.5
12	T	26.9	Very low	29	Very low	145 Å²	145	138.8 Å²	138.8	89%	0.89	74%	0.744	S	S	*	*			trans	-179.2	114	131.7	20.5	0	0	0	0	111.1
13	S	27.5	Very low	29	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	75%	0.746	S	S	*	*			trans	-172.8	164.5	176.3	-118.9	0	0	0	0	110.1
14	S	29	Very low	28.8	Very low	105 Å²	105	137 Å²	137	73%	0.734	74%	0.743	S	S	*	*			cis	-145	159.4	3.1	-178.2	0	0	0	0	111.3
15	I	28	Very low	28.6	Very low	156 Å²	156	142.7 Å²	142.7	80%	0.8	76%	0.756	S	S	*	*			trans	-66.6	143.9	161.2	-68.2	159.2	0	0	0	110.4
16	V	25.7	Very low	28.3	Very low	119 Å²	119	143.7 Å²	143.7	72%	0.721	76%	0.756	S	S	*	*			trans	156.1	124.5	148.8	153.7	0	0	0	0	111.8
17	N	27.9	Very low	28.3	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	76%	0.763	S	S	*	*			trans	171.3	158.6	134.5	-102.1	-55.6	0	0	0	116.5
18	K	29.1	Very low	28.1	Very low	159 Å²	159	145.5 Å²	145.5	69%	0.691	76%	0.763	S	S	*	*			trans	50	121.6	165.6	-69.1	-165.1	172.2	-163.6	0	117.7	E435	K18-E435 IonicContact NZ-OE2 2.78Å; K18-E435 PolarHBondContact NZ-OE2 2.78Å
19	F	26.9	Very low	28.1	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.873	78%	0.779	S	S	*	*			cis	65.4	135.9	12.2	-96.6	-92.4	0	0	0	117.2
20	S	28.2	Very low	27.9	Very low	86 Å²	86	146.2 Å²	146.2	60%	0.601	78%	0.781	S	S	*	*			cis	-171	117.9	-30.1	-175.5	0	0	0	0	113.7
21	Q	30.2	Very low	27.8	Very low	163 Å²	163	148.4 Å²	148.4	76%	0.762	78%	0.783	S	S	*	*			trans	43.8	127.3	140.6	-60	-178.1	-16.6	0	0	124.8
22	H	27.8	Very low	27.7	Very low	145 Å²	145	152.7 Å²	152.7	67%	0.671	79%	0.79	S	S	*	*			trans	53.4	135.8	132.7	-65.6	-52	0	0	0	122.5
23	K	29.6	Very low	27.6	Very low	192 Å²	192	157.5 Å²	157.5	84%	0.835	79%	0.791	S	S	*	*				170.8	139.5	79	-157.4	164.1	-172.1	170.4	0	113.7
24	S	26.1	Very low	27.7	Very low	94 Å²	94	158.4 Å²	158.4	66%	0.657	79%	0.785	S	S	*	*			trans	-82.1	157.7	-174.2	-26.6	0	0	0	0	115.9
25	R	25.6	Very low	27.6	Very low	233 Å²	233	162.9 Å²	162.9	88%	0.879	79%	0.786	S	S	*	*			trans	9.9	125	157.6	-76.1	175.6	165.1	147	-6.3	119.1
26	L	26.7	Very low	27.8	Very low	143 Å²	143	161.5 Å²	161.5	75%	0.749	79%	0.787	S	S	*	*				-174.8	166.6	97.4	-138.7	66	0	0	0	114.4
27	M	28.5	Very low	27.8	Very low	173 Å²	173	161.6 Å²	161.6	85%	0.852	78%	0.783	S	S	*	*			trans	74	139.9	158.4	-71.9	-65.9	175.4	0	0	121.5
28	K	25.6	Very low	27.6	Very low	188 Å²	188	160.4 Å²	160.4	82%	0.817	79%	0.785	S	S	*	*			trans	-86	136.7	-179.5	-59.3	165.8	178.4	174.3	0	110.8
29	T	28.6	Very low	27.5	Very low	155 Å²	155	158.8 Å²	158.8	95%	0.951	78%	0.784	S	S	*	*				176.4	156	126.8	28	0	0	0	0	110.4
30	G	24.9	Very low	27.6	Very low	74 Å²	74	156.9 Å²	156.9	76%	0.763	78%	0.777	S	S	*	*			trans	-115.8	155.9	-166.9	0	0	0	0	0	115.1
31	Y	28.5	Very low	27.7	Very low	215 Å²	215	160.9 Å²	160.9	84%	0.843	79%	0.789	S	S	*	*			trans	-104.8	126.9	174.3	-97.3	-91.5	0	0	0	113.4	I34	Y31-I34 HydrophobicContact CE1-CD1 4.32Å
32	K	30	Very low	27.5	Very low	189 Å²	189	160 Å²	160	82%	0.822	79%	0.79	S	S	*	*			trans	-86.8	150.4	155.2	-74.1	171.6	-179.2	162.2	0	108.8
33	R	25.7	Very low	27.6	Very low	245 Å²	245	160.8 Å²	160.8	93%	0.925	80%	0.798	S	S	*	*			trans	18.5	114.1	153.1	-66.9	179.7	174.4	-179.9	-2.9	117.2
34	I	28.5	Very low	27.7	Very low	143 Å²	143	160.6 Å²	160.6	73%	0.733	80%	0.797	S	S	*	*			trans	-118.4	133.3	146.5	-68.2	-179	0	0	0	108.2	Y31	Y31-I34 HydrophobicContact CE1-CD1 4.32Å
35	R	26.5	Very low	27.7	Very low	200 Å²	200	165.9 Å²	165.9	76%	0.755	81%	0.808	S	S	*	*			trans	-88.6	143.7	159.6	-72.7	172.5	167.6	170.7	-8.3	106.9	L37	R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 2.85Å
36	P	32.8	Very low	27.9	Very low	127 Å²	127	162.8 Å²	162.8	83%	0.825	81%	0.805	S	S	*	*			trans	-69.5	96.7	151.2	30.6	-29.9	0	0	0	108.2
37	L	25.8	Very low	28.1	Very low	120 Å²	120	162 Å²	162	63%	0.628	80%	0.802	S	S	*	*			trans	-111	104.2	152.1	-86.5	169.3	0	0	0	105.6	R35	R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 2.85Å
38	C	24.9	Very low	28.2	Very low	126 Å²	126	163.7 Å²	163.7	85%	0.851	80%	0.799	S	S	*	*			trans	-70.9	130.6	160.9	-59.2	0	0	0	0	107
39	N	26.3	Very low	28.5	Very low	124 Å²	124	159.9 Å²	159.9	66%	0.663	79%	0.792	S	S	*	*			trans	-145	149	-179.2	-140.9	61.5	0	0	0	109.5
40	E	29.7	Very low	28.7	Very low	159 Å²	159	159 Å²	159	74%	0.743	78%	0.781	S	S	*	*			trans	66.8	151.1	175.3	-68.3	141.7	-114.9	0	0	116.1
41	M	29.9	Very low	29.1	Very low	170 Å²	170	161.6 Å²	161.6	84%	0.837	78%	0.778	S	S	*	*			cis	-137.8	159.6	12.5	-153.7	159.9	58	0	0	113.8
42	N	25.5	Very low	29.4	Very low	146 Å²	146	157.6 Å²	157.6	78%	0.781	77%	0.771	S	S	*	*			trans	-71.1	152.8	-172.6	-62.6	-81.6	0	0	0	115.2
43	L	30.2	Very low	29.6	Very low	161 Å²	161	154.6 Å²	154.6	84%	0.843	76%	0.763	S	S	*	*			trans	-153.9	106.1	145.5	-112.7	167.4	0	0	0	114.9
44	K	30.5	Very low	30	Very low	188 Å²	188	148.3 Å²	148.3	82%	0.817	75%	0.748	S	S	*	*			trans	26	121.9	152.2	-64.5	176.1	-179.7	176.6	0	122.9
45	K	27.6	Very low	30.2	Very low	204 Å²	204	147.9 Å²	147.9	89%	0.887	75%	0.747	S	S	*	*			trans	-6.3	145.5	139.8	-58.3	179.9	174.5	-172.6	0	119.4
46	M	29.2	Very low	30.7	Very low	168 Å²	168	143.6 Å²	143.6	83%	0.828	74%	0.744	S	S	*	*				-165.9	131.1	121.8	-111.2	-176.7	-179.2	0	0	113.7
47	N	30.3	Very low	30.7	Very low	126 Å²	126	144.1 Å²	144.1	67%	0.674	74%	0.739	S	S	*	*			trans	57.5	147.2	141.3	-61	-1.7	0	0	0	120.5
48	R	30.4	Very low	31.1	Very low	209 Å²	209	146.5 Å²	146.5	79%	0.789	75%	0.747	S	S	*	*			cis	-150.1	130.2	9.5	-116.7	158.5	-175.3	170.3	-0.6	108.3
49	T	31.9	Very low	31.3	Very low	109 Å²	109	147.5 Å²	147.5	67%	0.669	74%	0.744	S	S	*	*				81.4	158.8	93.1	67.2	0	0	0	0	116.2
50	D	34.5	Very low	31.5	Very low	135 Å²	135	148.6 Å²	148.6	72%	0.722	75%	0.75	S	S	*	*			trans	105.1	87.9	166.5	-53.1	18.4	0	0	0	111.9
51	N	33	Very low	31.6	Very low	130 Å²	130	145.6 Å²	145.6	70%	0.695	75%	0.747	S	S	*	*				83.2	133.8	73.8	-80	58.8	0	0	0	112
52	D	33.8	Very low	31.8	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	75%	0.747	S	S	*	*			cis	-148.3	-162.1	-12.8	-69.4	-46.3	0	0	0	106.5
53	D	34.8	Very low	32.1	Very low	125 Å²	125	146.2 Å²	146.2	67%	0.668	75%	0.745	S	S	*	*			cis	-161.1	164.7	4.1	-152.4	40.3	0	0	0	112.4
54	N	33.6	Very low	32.2	Very low	114 Å²	114	144.4 Å²	144.4	61%	0.61	74%	0.736	S	S	*	*			trans	-6.9	162.9	151.5	-54	-24.9	0	0	0	122.1
55	D	33.5	Very low	32.3	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	73%	0.73	S	S	*	*			cis	-171.7	154.3	-13.1	-104.6	-21.4	0	0	0	114.3
56	V	36.4	Very low	32.5	Very low	111 Å²	111	143 Å²	143	67%	0.673	73%	0.726	S	S	*	*			trans	70	112.1	133.7	173.2	0	0	0	0	125
57	D	32.4	Very low	32.6	Very low	137 Å²	137	141.6 Å²	141.6	73%	0.733	72%	0.721	S	S	*	*				73.3	148.4	127.4	-56.8	-6	0	0	0	129.3
58	E	33.9	Very low	32.6	Very low	171 Å²	171	142.5 Å²	142.5	80%	0.799	73%	0.726	S	S	*	*			trans	79	106.6	149.3	-78.7	171.7	-169.3	0	0	126
59	D	29.6	Very low	32.6	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	72%	0.718	S	S	*	*				76.6	140.3	121.6	-67.1	5.3	0	0	0	129.2
60	D	30.9	Very low	32.6	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	72%	0.724	S	S	*	*			trans	79.1	109.3	143.7	-94.5	-7.6	0	0	0	128.3
61	S	31	Very low	32.4	Very low	96 Å²	96	141 Å²	141	67%	0.671	72%	0.722	S	S	*	*				100.5	123.3	122.4	78.1	0	0	0	0	125.7
62	M	34.4	Very low	32.2	Very low	170 Å²	170	140.6 Å²	140.6	84%	0.837	72%	0.72	S	S	*	*			trans	64.3	134.6	139.2	-77.4	-163.9	-62.2	0	0	127.8
63	E	32.1	Very low	32.1	Very low	158 Å²	158	140.9 Å²	140.9	74%	0.738	72%	0.722	S	S	*	*			trans	63.7	100.7	140.6	-99.5	39.9	-152.5	0	0	126.3
64	D	32.5	Very low	31.9	Very low	124 Å²	124	142.3 Å²	142.3	66%	0.663	73%	0.728	S	S	*	*				91.3	153.3	113.2	-151.1	20.6	0	0	0	124.4
65	Q	32.2	Very low	31.8	Very low	147 Å²	147	145.9 Å²	145.9	69%	0.687	74%	0.739	S	S	*	*			trans	82.3	90.1	156.1	-85.2	165.5	75.8	0	0	124.7
66	R	31.2	Very low	31.7	Very low	214 Å²	214	147.8 Å²	147.8	81%	0.808	74%	0.743	S	S	*	*				74.1	123.3	116.1	-76.5	-176.7	-173.1	-113.2	-0.6	124.4
67	I	32.8	Very low	31.3	Very low	139 Å²	139	150 Å²	150	71%	0.713	75%	0.746	S	S	*	*			trans	91.5	87.7	137.5	-59.9	164.2	0	0	0	120.3
68	N	28.8	Very low	31.2	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	75%	0.746	S	S	*	*				74.1	144.6	110.7	-149.7	18	0	0	0	124.2
69	I	32	Very low	31	Very low	124 Å²	124	151 Å²	151	64%	0.636	75%	0.747	S	S	*	*			trans	94.7	92.9	159.6	-49.4	-167.5	0	0	0	120.4
70	Q	31.3	Very low	30.9	Very low	168 Å²	168	155.4 Å²	155.4	79%	0.785	75%	0.754	S	S	*	*			trans	75	127.2	135.7	-70.9	177.7	-33.6	0	0	124.9
71	N	29.4	Very low	30.7	Very low	129 Å²	129	156.8 Å²	156.8	69%	0.69	76%	0.755	S	S	*	*			trans	68.3	142.1	147.1	-67.2	39.3	0	0	0	119
72	D	30.6	Very low	30.4	Very low	122 Å²	122	160.1 Å²	160.1	65%	0.652	76%	0.76	S	S	*	*			cis	-153.8	153.2	6.6	-120.8	-42.1	0	0	0	113.3
73	N	30.8	Very low	30	Very low	137 Å²	137	159.6 Å²	159.6	73%	0.733	76%	0.756	S	S	*	*			trans	68.5	147.3	158.5	-76	-67.5	0	0	0	125
74	L	30.6	Very low	29.6	Very low	154 Å²	154	160.2 Å²	160.2	81%	0.806	76%	0.759	S	S	*	*			trans	66.1	95.5	159.9	-96.1	77.6	0	0	0	122.5
75	K	30.8	Very low	29.2	Very low	190 Å²	190	161.7 Å²	161.7	83%	0.826	77%	0.766	S	S	*	*				175.7	126.5	117.9	-94.4	165	-177.8	178.1	0	109.8
76	Q	31.4	Very low	28.8	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	77%	0.77	S	S	*	*				55.6	96.4	92	-75.4	-169.6	-10.8	0	0	116.9
77	Q	28.2	Very low	28.5	Very low	156 Å²	156	157.4 Å²	157.4	73%	0.729	77%	0.767	S	S	*	*			trans	67.3	127.3	142	-63.5	-162.9	15.3	0	0	122.1
78	Q	30	Very low	28.2	Very low	156 Å²	156	155.3 Å²	155.3	73%	0.729	76%	0.761	S	S	*	*			trans	71.5	132.6	147.6	-67.5	-179.1	71	0	0	116.6
79	Q	30.1	Very low	28	Very low	175 Å²	175	157.3 Å²	157.3	82%	0.818	77%	0.765	S	S	*	*			cis	-130	172.6	6	-98.5	160.3	20.3	0	0	112.3
80	Y	27.8	Very low	27.7	Very low	238 Å²	238	159.4 Å²	159.4	93%	0.933	77%	0.772	S	S	*	*			trans	-83.8	146.4	-169.8	-100.5	-104.8	0	0	0	115.1
81	H	26.4	Very low	27.6	Very low	177 Å²	177	157 Å²	157	82%	0.819	77%	0.774	S	S	*	*			trans	-87	175.3	172.4	-116.7	-87.8	0	0	0	113.5
82	Q	25.6	Very low	27.5	Very low	166 Å²	166	157.8 Å²	157.8	78%	0.776	78%	0.783	S	S	*	*			trans	-82.5	167.6	-177.9	-62.6	166.4	-60.9	0	0	114.7
83	E	24.9	Very low	27.3	Very low	159 Å²	159	157.8 Å²	157.8	74%	0.743	78%	0.782	S	S	*	*			trans	96.8	144.5	141.1	-116.3	-171.8	-119.4	0	0	122.5
84	Q	24.2	Very low	27.2	Very low	170 Å²	170	159.8 Å²	159.8	79%	0.794	79%	0.787	S	S	*	*			trans	75.4	156.7	164.2	-61	-178.7	30.3	0	0	120.1
85	D	23.6	Very low	27.3	Very low	155 Å²	155	162.2 Å²	162.2	83%	0.829	79%	0.786	S	S	*	*			trans	-72.6	164.7	-164	-75.6	-71.2	0	0	0	114.9
86	V	24.4	Very low	27.4	Very low	126 Å²	126	157.1 Å²	157.1	76%	0.764	77%	0.774	S	S	*	*			trans	148.5	138.7	131.3	165.7	0	0	0	0	113.5
87	I	26	Very low	27.5	Very low	145 Å²	145	154.1 Å²	154.1	74%	0.744	76%	0.763	S	S	*	*			trans	79.7	103.5	159.6	-81.4	165.2	0	0	0	121.7
88	T	25.9	Very low	27.7	Very low	95 Å²	95	149.7 Å²	149.7	58%	0.583	75%	0.753	S	S	*	*			trans	53.7	123.8	136.1	69.7	0	0	0	0	124.8
89	H	24	Very low	28.1	Very low	189 Å²	189	148.9 Å²	148.9	88%	0.875	75%	0.749	S	S	*	*				23.7	99.2	119.4	-90.6	-76.9	0	0	0	118.8
90	Q	25.6	Very low	28.2	Very low	167 Å²	167	144.2 Å²	144.2	78%	0.78	74%	0.735	S	S	*	*			trans	-157	82.3	162.6	-168	76.7	-22.2	0	0	112.8
91	S	29.5	Very low	28.6	Very low	117 Å²	117	137.3 Å²	137.3	82%	0.818	71%	0.713	S	S	*	*			trans	-168.8	49.7	170.3	62	0	0	0	0	115.8
92	V	26.7	Very low	29.2	Very low	147 Å²	147	137 Å²	137	89%	0.891	71%	0.71	S	S	*	*			trans	-129.7	57.4	165.9	-168.8	0	0	0	0	109.8
93	L	26.6	Very low	30	Very low	121 Å²	121	138.6 Å²	138.6	63%	0.634	71%	0.709	S	S	*	*			trans	-145.4	30.6	-169.2	-109.7	172.9	0	0	0	114.6
94	H	28.2	Very low	30.4	Very low	179 Å²	179	135.1 Å²	135.1	83%	0.829	70%	0.695	S	S	*	*	S	Bend	trans	-137.3	24.1	-176.4	-120.7	-79.3	0	0	0	116.6
95	R	34.5	Very low	30.7	Very low	206 Å²	206	131.6 Å²	131.6	78%	0.777	69%	0.688	S	S	*	*	S	Bend	trans	-130.3	-25.5	174	-160.4	164.8	-178	147.1	1.9	115.3
96	S	31.8	Very low	31.2	Very low	83 Å²	83	130.8 Å²	130.8	58%	0.58	68%	0.684	S	S	*	*	H	α-helix	trans	-75.4	-27.9	174.3	43.4	0	0	0	0	113.8	C100	S96-C100 PolarHBondContact O-N 3.11Å
97	L	33	Very low	31.5	Very low	110 Å²	110	132.3 Å²	132.3	58%	0.576	68%	0.682	S	S	*	*	H	α-helix	trans	-68.7	-37.7	-179.5	-147.3	83.4	0	0	0	112.2	E99 C100 L101	L97-E99 PolarHBondContact O-N 3.02Å; L97-C100 PolarHBondContact O-N 3.16Å; L97-L101 HydrophobicContact CD2-CD1 4.31Å; L97-L101 HydrophobicContact CG-CD1 4.4Å; L97-L101 WeakPolarHBondContact O-CG 3.3Å; L97-L101 PolarHBondContact O-N 3.43Å
98	A	33.5	Very low	31.6	Very low	63 Å²	63	131.7 Å²	131.7	52%	0.521	68%	0.679	S	S	.	*	H	α-helix	trans	-68.6	-32.5	-175.7	0	0	0	0	0	113.4	K102	A98-K102 WeakPolarHBondContact O-CB 3.34Å; A98-K102 PolarHBondContact O-N 3.1Å
99	E	38.5	Very low	31.7	Very low	139 Å²	139	136.1 Å²	136.1	65%	0.65	69%	0.693	S	S	*	*	H	α-helix	trans	-82	-26.7	176.7	-70.1	173.5	165.5	0	0	112.1	L97 R103	L97-E99 PolarHBondContact O-N 3.02Å; E99-R103 PolarHBondContact O-N 3.48Å
100	C	32	Very low	31.7	Very low	76 Å²	76	132.3 Å²	132.3	51%	0.514	69%	0.687	S	S	.	*	H	α-helix	trans	-70	-48	171.7	-168.8	0	0	0	0	111.4	S96 L97 K102 R103 L104	S96-C100 PolarHBondContact O-N 3.11Å; L97-C100 PolarHBondContact O-N 3.16Å; C100-K102 PolarHBondContact O-N 3.34Å; C100-R103 PolarHBondContact O-N 3.01Å; C100-R103 VanDerWaalsContact O-N 3.07Å; C100-L104 PolarHBondContact O-N 3.36Å; C100-L104 VanDerWaalsContact O-N 3.07Å
101	L	34.9	Very low	31.7	Very low	93 Å²	93	132 Å²	132	49%	0.487	69%	0.691	S	S	.	*	H	α-helix	trans	-60.1	-34.1	174.5	-72.5	168.3	0	0	0	112.3	L97 R103 L104 C105	L97-L101 HydrophobicContact CD2-CD1 4.31Å; L97-L101 HydrophobicContact CG-CD1 4.4Å; L97-L101 WeakPolarHBondContact O-CG 3.3Å; L97-L101 PolarHBondContact O-N 3.43Å; L101-R103 PolarHBondContact O-N 3.49Å; L101-L104 PolarHBondContact O-N 2.87Å; L101-C105 PolarHBondContact O-N 3.24Å; L101-C105 PolarHBondContact O-SG 3Å; L101-C105 VanDerWaalsContact O-SG 3.34Å
102	K	39.8	Very low	31.6	Very low	170 Å²	170	134.8 Å²	134.8	74%	0.739	69%	0.69	S	S	*	*	H	α-helix	trans	-73.7	-8	177.4	-147.8	173.7	-172.7	-178.1	0	114.7	A98 C100	A98-K102 WeakPolarHBondContact O-CB 3.34Å; A98-K102 PolarHBondContact O-N 3.1Å; C100-K102 PolarHBondContact O-N 3.34Å
103	R	41.7	Very low	31.7	Very low	201 Å²	201	136.8 Å²	136.8	76%	0.758	69%	0.688	S	S	*	*	H	α-helix	trans	-94.6	-44.7	164.1	-76.4	-174.5	168.4	-172.4	-6.1	111.5	E99 C100 L101 C105 N106	E99-R103 PolarHBondContact O-N 3.48Å; C100-R103 PolarHBondContact O-N 3.01Å; C100-R103 VanDerWaalsContact O-N 3.07Å; L101-R103 PolarHBondContact O-N 3.49Å; R103-C105 PolarHBondContact O-N 2.94Å; R103-N106 PolarHBondContact O-N 3.37Å
104	L	33.3	Very low	31.6	Very low	85 Å²	85	138.4 Å²	138.4	45%	0.445	70%	0.696	S	S	.	*	H	α-helix	trans	-55.9	-35	175.9	-89.9	154.5	0	0	0	113.4	C100 L101 N106 I108	C100-L104 PolarHBondContact O-N 3.36Å; C100-L104 VanDerWaalsContact O-N 3.07Å; L101-L104 PolarHBondContact O-N 2.87Å; L104-N106 PolarHBondContact O-N 2.65Å; L104-I108 WeakPolarHBondContact O-CD1 3.44Å; L104-I108 WeakPolarHBondContact O-CG1 3.34Å
105	C	32	Very low	31.8	Very low	97 Å²	97	134.3 Å²	134.3	66%	0.655	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-11.5	175.5	-68.5	0	0	0	0	115.1	L101 R103	L101-C105 PolarHBondContact O-N 3.24Å; L101-C105 PolarHBondContact O-SG 3Å; L101-C105 VanDerWaalsContact O-SG 3.34Å; R103-C105 PolarHBondContact O-N 2.94Å
106	N	33	Very low	31.2	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-7.2	178.8	-82.2	29	0	0	0	113.7	R103 L104	R103-N106 PolarHBondContact O-N 3.37Å; L104-N106 PolarHBondContact O-N 2.65Å
107	E	30.3	Very low	30.9	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	69%	0.693	S	S	*	*	S	Bend	trans	-105.9	3	178.8	-68.2	-179.1	151.2	0	0	113
108	I	28.3	Very low	30.4	Very low	132 Å²	132	136.8 Å²	136.8	68%	0.677	71%	0.707	S	S	*	*			trans	-104.8	38.6	-179.3	-53.6	170.7	0	0	0	110.8	L104	L104-I108 WeakPolarHBondContact O-CD1 3.44Å; L104-I108 WeakPolarHBondContact O-CG1 3.34Å
109	Q	27.8	Very low	30	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	73%	0.725	S	S	*	*	S	Bend	trans	-132.1	40.2	166.6	-81.8	-158.4	-44.2	0	0	112.7
110	C	24.2	Very low	29.5	Very low	109 Å²	109	141.1 Å²	141.1	74%	0.736	74%	0.736	S	S	*	*	S	Bend	trans	-163.7	109.6	154.4	-113.7	0	0	0	0	110.9
111	N	26.1	Very low	29.2	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	75%	0.748	S	S	*	*			trans	149.9	98.8	145.8	-77.9	-19.4	0	0	0	111.8
112	Q	28.6	Very low	28.7	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	76%	0.762	S	S	*	*			trans	-111.9	104.1	151.4	-75.5	-175.8	-20	0	0	107.4
113	F	27.9	Very low	28.1	Very low	190 Å²	190	145.2 Å²	145.2	83%	0.833	77%	0.767	S	S	*	*				175.6	152.5	113.1	-97.9	-75.2	0	0	0	110.9
114	L	24.6	Very low	27.2	Very low	155 Å²	155	140.3 Å²	140.3	81%	0.812	76%	0.759	S	S	*	*			trans	-123.1	176.2	-176.6	-103.4	83.3	0	0	0	107.5
115	P	32.5	Very low	26.9	Very low	92 Å²	92	144 Å²	144	60%	0.597	78%	0.78	S	S	*	*			cis	-147.6	-168.1	-36.2	41.9	-23.5	0	0	0	114
116	I	22.2	Very low	26.6	Very low	147 Å²	147	144.7 Å²	144.7	75%	0.754	78%	0.781	S	S	*	*			trans	61.2	116.7	158.7	-47.7	156.6	0	0	0	118.6
117	T	24.7	Very low	26.7	Very low	125 Å²	125	145.6 Å²	145.6	77%	0.767	78%	0.784	S	S	*	*				176.3	135.3	110.1	38.8	0	0	0	0	113
118	M	23.3	Very low	26.5	Very low	179 Å²	179	145.1 Å²	145.1	88%	0.882	78%	0.784	S	S	*	*			trans	43.3	145.5	141.8	-60	-56.3	-178.6	0	0	123.7
119	N	24.5	Very low	26.3	Very low	168 Å²	168	143.3 Å²	143.3	90%	0.898	78%	0.783	S	S	*	*			trans	-67.4	148.3	166.1	-64.4	-20.6	0	0	0	111.9
120	S	28	Very low	26.3	Very low	125 Å²	125	140 Å²	140	87%	0.874	77%	0.77	S	S	*	*			trans	-141.5	152.3	154.8	56.6	0	0	0	0	109.8
121	S	25.5	Very low	26.4	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	77%	0.766	S	S	*	*			trans	-105.9	145.9	-171.1	53.9	0	0	0	0	113.1
122	M	24	Very low	26.7	Very low	161 Å²	161	138.6 Å²	138.6	79%	0.793	76%	0.755	S	S	*	*			trans	25.2	108.3	143.5	-58.1	-58.9	169.4	0	0	118.6
123	N	27.1	Very low	26.9	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	75%	0.753	S	S	*	*				-147.9	126.6	120.3	-82.8	-28	0	0	0	104.6
124	T	24.3	Very low	27.1	Very low	98 Å²	98	134 Å²	134	60%	0.601	74%	0.736	S	S	*	*			cis	58.4	94.7	49.4	73.3	0	0	0	0	114.1
125	D	27.1	Very low	27.3	Very low	163 Å²	163	131.1 Å²	131.1	87%	0.872	73%	0.726	S	S	*	*			trans	-128.9	129.9	136.6	-109.7	-40.8	0	0	0	107.8
126	T	24.2	Very low	27.2	Very low	112 Å²	112	133.4 Å²	133.4	69%	0.687	73%	0.732	S	S	*	*			trans	-128.5	89.8	-171.1	-58.3	0	0	0	0	109.8
127	I	34.8	Very low	27.3	Very low	157 Å²	157	130.8 Å²	130.8	81%	0.805	73%	0.726	S	S	*	*			trans	-133.8	93.8	169.3	-56.3	-178.5	0	0	0	106.3
128	M	26.6	Very low	27.4	Very low	147 Å²	147	132 Å²	132	72%	0.724	73%	0.727	S	S	*	*				67.4	104.6	74.1	-67.7	-91.4	-79.9	0	0	113.5
129	S	24.6	Very low	27.4	Very low	94 Å²	94	128.9 Å²	128.9	66%	0.657	72%	0.718	S	S	*	*			trans	73.9	152.3	135.6	-62.1	0	0	0	0	119
130	I	27.2	Very low	27.4	Very low	117 Å²	117	126.2 Å²	126.2	60%	0.6	71%	0.708	S	S	*	*			cis	-154.8	135.1	-10.6	-118.6	165.5	0	0	0	110.8
131	N	26.5	Very low	27.2	Very low	122 Å²	122	125.1 Å²	125.1	65%	0.652	70%	0.7	S	S	*	*			trans	43.4	-170.8	144.6	-46.3	-10.5	0	0	0	120.6	Y134	N131-Y134 HydrophobicContact CB-CD2 4.31Å; N131-Y134 HydrophobicContact CB-CE2 3.56Å
132	N	32.4	Very low	27	Very low	120 Å²	120	127.2 Å²	127.2	64%	0.642	70%	0.701	S	S	*	*	S	Bend	trans	115.9	72.6	-150.6	66.6	-119.3	0	0	0	110.6	Y134	N132-Y134 HydrophobicContact CB-CD1 3.97Å; N132-Y134 HydrophobicContact CB-CD2 4.46Å; N132-Y134 HydrophobicContact CB-CE1 3.64Å; N132-Y134 HydrophobicContact CB-CE2 4.21Å; N132-Y134 HydrophobicContact CB-CG 4.36Å; N132-Y134 WeakPolarHBondContact OD1-CE1 3.38Å; N132-Y134 PolarHBondContact OD1-OH 2.87Å
133	D	32.2	Very low	27	Very low	145 Å²	145	125.4 Å²	125.4	78%	0.775	70%	0.699	S	S	*	*	S	Bend	cis	-149	-176.5	22.7	-82.2	-73.9	0	0	0	110.4
134	Y	32.3	Very low	27.2	Very low	123 Å²	123	124.3 Å²	124.3	48%	0.482	70%	0.699	S	S	.	*				-172.9	158.9	-62.2	-94.3	176.6	0	0	0	111	N131 N132	N131-Y134 HydrophobicContact CB-CD2 4.31Å; N131-Y134 HydrophobicContact CB-CE2 3.56Å; N132-Y134 HydrophobicContact CB-CD1 3.97Å; N132-Y134 HydrophobicContact CB-CD2 4.46Å; N132-Y134 HydrophobicContact CB-CE1 3.64Å; N132-Y134 HydrophobicContact CB-CE2 4.21Å; N132-Y134 HydrophobicContact CB-CG 4.36Å; N132-Y134 WeakPolarHBondContact OD1-CE1 3.38Å; N132-Y134 PolarHBondContact OD1-OH 2.87Å
135	T	29.7	Very low	27.2	Very low	95 Å²	95	125.2 Å²	125.2	58%	0.583	71%	0.706	S	S	*	*			cis	-155.6	159.2	7	-3.4	0	0	0	0	109.6
136	N	29.3	Very low	27.8	Very low	139 Å²	139	123.8 Å²	123.8	74%	0.743	70%	0.703	S	S	*	*			trans	64.7	159.6	145.2	-65.5	-8	0	0	0	118.5
137	C	24.2	Very low	28.1	Very low	92 Å²	92	123.3 Å²	123.3	62%	0.622	70%	0.702	S	S	*	*			cis	-165.5	162	-20.4	-111.5	0	0	0	0	110.3
138	I	27.3	Very low	27.8	Very low	152 Å²	152	121.8 Å²	121.8	78%	0.779	70%	0.7	S	S	*	*			trans	69.6	157.8	143.1	-69.3	164.1	0	0	0	117.5
139	T	23.3	Very low	27.9	Very low	113 Å²	113	121.1 Å²	121.1	69%	0.693	71%	0.705	S	S	*	*			trans	-76.2	-174.7	178.6	51.6	0	0	0	0	113.3
140	T	25.2	Very low	28.1	Very low	112 Å²	112	123.6 Å²	123.6	69%	0.687	71%	0.709	S	S	*	*			trans	65.9	97.8	153.1	42.7	0	0	0	0	118.4
141	S	22.9	Very low	28.2	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	72%	0.715	S	S	*	*				62.3	143.1	109.3	-50.6	0	0	0	0	121.7
142	I	22.4	Very low	28.5	Very low	152 Å²	152	124.2 Å²	124.2	78%	0.779	72%	0.716	S	S	*	*			trans	85.8	143.2	154.1	-64.1	150.4	0	0	0	117.3
143	T	22.7	Very low	28.1	Very low	123 Å²	123	125 Å²	125	76%	0.755	72%	0.721	S	S	*	*			trans	60.7	106	172.1	39.7	0	0	0	0	118.6
144	T	31.1	Very low	28.1	Very low	133 Å²	133	124.8 Å²	124.8	82%	0.816	72%	0.724	S	S	*	*			trans	-59.4	151.6	141.4	45.2	0	0	0	0	110.5
145	P	25.3	Very low	27.8	Very low	116 Å²	116	126.3 Å²	126.3	75%	0.753	74%	0.741	S	S	*	*				-138.7	125.8	129.4	34	-21.2	0	0	0	113.2
146	T	39.6	Very low	27.8	Very low	133 Å²	133	128.4 Å²	128.4	82%	0.816	75%	0.753	S	S	*	*			trans	-109.4	113.3	158.5	50.4	0	0	0	0	108.9
147	P	30.4	Very low	27.5	Very low	103 Å²	103	126.7 Å²	126.7	67%	0.669	75%	0.752	S	S	*	*			trans	-135.7	128.7	134.5	25.9	-8.7	0	0	0	110.9
148	T	28.2	Very low	27.6	Very low	125 Å²	125	128.2 Å²	128.2	77%	0.767	76%	0.759	S	S	*	*				69.1	140.7	59.1	69.4	0	0	0	0	115.2
149	T	28.1	Very low	27.5	Very low	133 Å²	133	131 Å²	131	82%	0.816	76%	0.761	S	S	*	*			trans	-157.9	125.7	178.7	-46.7	0	0	0	0	107.3
150	I	28.9	Very low	28.1	Very low	145 Å²	145	130 Å²	130	74%	0.744	76%	0.756	S	S	*	*			cis	-162.3	178.7	-20	-140	164	0	0	0	107.9
151	I	30.7	Very low	28.2	Very low	143 Å²	143	131.6 Å²	131.6	73%	0.733	77%	0.767	S	S	*	*			trans	77.6	129.9	177.2	-49.4	-171.7	0	0	0	116.1
152	T	32.1	Very low	28.3	Very low	109 Å²	109	135.2 Å²	135.2	67%	0.669	77%	0.772	S	S	*	*			cis	-158.5	146.1	-28.8	31.9	0	0	0	0	109.3
153	D	24.7	Very low	28.5	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	77%	0.771	S	S	*	*			trans	10.7	131.2	142.6	-40.4	-42.8	0	0	0	120.4
154	T	32.1	Very low	28.6	Very low	139 Å²	139	134.5 Å²	134.5	85%	0.853	78%	0.777	S	S	*	*				-171	161.9	104.6	19.1	0	0	0	0	113.4
155	N	25.6	Very low	28.3	Very low	156 Å²	156	134.8 Å²	134.8	83%	0.834	77%	0.773	S	S	*	*			trans	-67.7	152.1	176.6	-44.8	-73.2	0	0	0	112.7
156	V	29.3	Very low	28.3	Very low	139 Å²	139	135.9 Å²	135.9	84%	0.842	77%	0.772	S	S	*	*				-167.8	148.4	124.3	135.5	0	0	0	0	110.7
157	S	23	Very low	27.5	Very low	103 Å²	103	134 Å²	134	72%	0.72	77%	0.765	S	S	*	*			trans	-116.1	114.9	-179.7	57	0	0	0	0	112.9
158	T	26.5	Very low	27.3	Very low	124 Å²	124	135.9 Å²	135.9	76%	0.761	77%	0.768	S	S	*	*			trans	-156.6	115.8	160.2	45.2	0	0	0	0	107.1
159	Y	24.9	Very low	27.3	Very low	209 Å²	209	135.7 Å²	135.7	82%	0.82	77%	0.766	S	S	*	*			cis	63.5	148.6	9.5	-100.9	-20.6	0	0	0	116
160	P	37.3	Very low	27.4	Very low	92 Å²	92	134 Å²	134	60%	0.597	76%	0.76	S	S	*	*				-133.2	-162.5	-104.8	45.3	-32	0	0	0	112.6	Q162	P160-Q162 HydrophobicContact CG-CG 4.45Å
161	T	26.7	Very low	27.3	Very low	147 Å²	147	134.1 Å²	134.1	90%	0.902	76%	0.762	S	S	*	*			trans	-107.6	100.3	158.9	51.7	0	0	0	0	111.4
162	Q	24.6	Very low	27.2	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	77%	0.769	S	S	*	*			trans	-103.8	123.3	157.8	-74.8	-175	-5.6	0	0	109.1	P160	P160-Q162 HydrophobicContact CG-CG 4.45Å
163	A	26.9	Very low	27.1	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	77%	0.768	S	S	*	*			trans	174.2	129.4	159.7	0	0	0	0	0	104.9
164	L	24.2	Very low	27.3	Very low	168 Å²	168	133.9 Å²	133.9	88%	0.88	77%	0.767	S	S	*	*			cis	61.7	66.3	18.8	-118.8	176	0	0	0	112.5
165	D	24.5	Very low	27.2	Very low	139 Å²	139	133 Å²	133	74%	0.743	76%	0.756	S	S	*	*				-154.5	165.3	123.8	-126.6	-20.3	0	0	0	116.8
166	L	26.6	Very low	27.4	Very low	139 Å²	139	133.3 Å²	133.3	73%	0.728	75%	0.753	S	S	*	*			trans	-36	112	178.7	-67.5	153.1	0	0	0	120.5
167	S	22.7	Very low	27.4	Very low	95 Å²	95	130.9 Å²	130.9	66%	0.664	74%	0.742	S	S	*	*				70.5	-177.5	119.7	78.4	0	0	0	0	122
168	I	26.3	Very low	27.7	Very low	142 Å²	142	133.4 Å²	133.4	73%	0.728	75%	0.746	S	S	*	*			trans	87.5	88.9	160.2	-70.8	163.8	0	0	0	119.3
169	T	28.4	Very low	27.8	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	74%	0.742	S	S	*	*				93.4	135.9	127	57.1	0	0	0	0	125.7
170	S	29	Very low	28	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	74%	0.737	S	S	*	*			trans	77.4	84.6	135.4	58.9	0	0	0	0	122.4
171	N	26.7	Very low	27.5	Very low	148 Å²	148	130.6 Å²	130.6	79%	0.791	74%	0.743	S	S	*	*				15.3	138.7	105.6	-56.9	-0.2	0	0	0	119.9
172	M	28.7	Very low	27.5	Very low	178 Å²	178	128.8 Å²	128.8	88%	0.877	74%	0.736	S	S	*	*				-138.6	112.4	122.4	-84.1	-152.5	163.9	0	0	108
173	T	30.5	Very low	27.5	Very low	105 Å²	105	127.4 Å²	127.4	64%	0.644	73%	0.734	S	S	*	*				64.2	131.3	84.5	59.7	0	0	0	0	113.1
174	S	29.8	Very low	27.5	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	73%	0.733	S	S	*	*			cis	-140.1	132.9	47.6	59.9	0	0	0	0	114.6
175	N	28.7	Very low	27.6	Very low	120 Å²	120	127.8 Å²	127.8	64%	0.642	72%	0.723	S	S	*	*				82.8	142.5	100.3	-66.6	28.6	0	0	0	113.4
176	E	30	Very low	27.7	Very low	164 Å²	164	127.9 Å²	127.9	77%	0.766	72%	0.722	S	S	*	*			cis	-159.1	163.6	6.9	-115.5	159.8	-120.4	0	0	107.7
177	S	30.2	Very low	27.7	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	72%	0.719	S	S	*	*			cis	-161.1	154.5	2.7	60.5	0	0	0	0	111.6
178	I	29.4	Very low	28	Very low	157 Å²	157	127.6 Å²	127.6	81%	0.805	72%	0.717	S	S	*	*			trans	58.4	136.9	147.5	-62.7	158.8	0	0	0	119.1
179	S	28.3	Very low	28.1	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	72%	0.719	S	S	*	*			cis	-177.5	173.1	-22.6	72	0	0	0	0	106.1
180	N	28.6	Very low	28.1	Very low	131 Å²	131	131.8 Å²	131.8	70%	0.701	72%	0.721	S	S	*	*			cis	-158.1	143.9	-7.6	-117.6	-12.3	0	0	0	105.5
181	N	27	Very low	28.1	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	72%	0.722	S	S	*	*				54.8	138.3	82.1	-66.4	-37.8	0	0	0	116.8
182	S	25.5	Very low	28.2	Very low	108 Å²	108	131 Å²	131	76%	0.755	72%	0.716	S	S	*	*			cis	-166.7	-174.4	-10.6	52.4	0	0	0	0	111
183	L	26.4	Very low	28.2	Very low	150 Å²	150	130.6 Å²	130.6	79%	0.785	72%	0.717	S	S	*	*			trans	-86.9	156	-165.6	-69.8	75.7	0	0	0	116.6
184	N	25.8	Very low	28.1	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	71%	0.714	S	S	*	*				99.2	142.8	127.7	-98.6	-8.1	0	0	0	124.3
185	I	25.8	Very low	28.2	Very low	128 Å²	128	130.6 Å²	130.6	66%	0.656	72%	0.718	S	S	*	*			trans	92.2	103.6	141.1	-78.5	166.6	0	0	0	120.8
186	I	26.7	Very low	28.2	Very low	142 Å²	142	128.2 Å²	128.2	73%	0.728	71%	0.711	S	S	*	*				71.7	137	128.1	-72.5	178	0	0	0	118.3
187	N	27.2	Very low	28.5	Very low	124 Å²	124	124.6 Å²	124.6	66%	0.663	70%	0.701	S	S	*	*			cis	-160.4	155.2	12.8	-137.7	0.6	0	0	0	116.1
188	T	28.8	Very low	28.4	Very low	103 Å²	103	123.9 Å²	123.9	63%	0.632	69%	0.694	S	S	*	*			trans	61.9	163.9	148	53	0	0	0	0	121.4
189	F	28	Very low	28.2	Very low	175 Å²	175	120.1 Å²	120.1	77%	0.768	68%	0.675	S	S	*	*			cis	-151.5	156	14.3	-132.7	-63.5	0	0	0	114.2
190	K	29.5	Very low	28	Very low	176 Å²	176	119.3 Å²	119.3	77%	0.765	67%	0.669	S	S	*	*			trans	88.6	132.5	163	-63.9	-172.9	179.1	177.9	0	116.8
191	N	29.3	Very low	27.7	Very low	133 Å²	133	117.3 Å²	117.3	71%	0.711	67%	0.666	S	S	*	*			cis	-146.8	143.7	9.3	-103.4	-8.6	0	0	0	113.4
192	S	29.4	Very low	27.6	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	67%	0.669	S	S	*	*			trans	19.1	149.1	144.6	59.1	0	0	0	0	123.4
193	L	27	Very low	27.6	Very low	169 Å²	169	125 Å²	125	89%	0.885	67%	0.67	S	S	*	*			cis	-174	165.6	-14.9	-112.7	154.8	0	0	0	109.3
194	S	28.4	Very low	27.5	Very low	85 Å²	85	122.5 Å²	122.5	59%	0.594	67%	0.666	S	S	*	*			trans	-104.8	-171.2	174.6	59.4	0	0	0	0	111.3
195	P	33.1	Very low	27.5	Very low	122 Å²	122	122.7 Å²	122.7	79%	0.792	67%	0.666	S	S	*	*			cis	-144.7	-154.1	16.4	44.9	-21.4	0	0	0	116.6
196	S	28.1	Very low	27.6	Very low	69 Å²	69	123.5 Å²	123.5	48%	0.483	67%	0.672	S	S	.	*			trans	-96.1	-173.5	176.6	-28.5	0	0	0	0	113.2
197	P	36.1	Very low	27.7	Very low	88 Å²	88	121.4 Å²	121.4	57%	0.571	67%	0.669	S	S	*	*			cis	-132.6	-163.1	-16.2	34	-10.7	0	0	0	114.5
198	T	28.5	Very low	27.9	Very low	73 Å²	73	122.2 Å²	122.2	45%	0.448	67%	0.674	S	S	.	*			trans	82.5	157.4	164.5	83.1	0	0	0	0	118.9	N273 A274 N275	T198-N273 HydrophobicContact CG2-CB 4.02Å; T198-A274 VanDerWaalsContact CA-O 3.25Å; T198-A274 WeakPolarHBondContact CA-O 3.5Å; T198-A274 WeakPolarHBondContact CB-O 3.5Å; T198-A274 WeakPolarHBondContact CG2-O 3.31Å; T198-N275 WeakPolarHBondContact CA-O 3.36Å; T198-N275 PolarHBondContact N-O 3.31Å
199	L	25.7	Very low	28	Very low	77 Å²	77	122.5 Å²	122.5	40%	0.403	68%	0.68	S	S	.	*			cis	-160	156	-29.2	174.5	62.3	0	0	0	111.7	N273 A274 N275	L199-N273 HydrophobicContact CB-CB 4.48Å; L199-N273 HydrophobicContact CD2-CB 3.78Å; L199-N273 WeakPolarHBondContact CD2-ND2 3.41Å; L199-N273 WeakPolarHBondContact CD2-OD1 3.3Å; L199-A274 WeakPolarHBondContact CB-O 3.32Å; L199-A274 HydrophobicContact CD1-CB 4.45Å; L199-N275 HydrophobicContact CB-CB 4.32Å; L199-N275 HydrophobicContact CD1-CB 3.32Å; L199-N275 HydrophobicContact CG-CB 4.39Å
200	S	23.1	Very low	28.1	Very low	81 Å²	81	120.7 Å²	120.7	57%	0.566	68%	0.678	S	S	*	*			trans	75.6	150.2	159	-164	0	0	0	0	120.6
201	S	23.3	Very low	28.1	Very low	89 Å²	89	118.1 Å²	118.1	62%	0.622	67%	0.673	S	S	*	*			trans	55.7	121.9	149.4	38.1	0	0	0	0	119.7
202	Y	23.7	Very low	27.9	Very low	205 Å²	205	120.8 Å²	120.8	80%	0.804	68%	0.679	S	S	*	*				55	123.2	80.3	-74.4	-74.6	0	0	0	112.3
203	Y	26.5	Very low	27.7	Very low	201 Å²	201	120.9 Å²	120.9	79%	0.788	69%	0.685	S	S	*	*			cis	-154.1	161.9	45.5	-109.3	-79.6	0	0	0	114.7
204	S	24.8	Very low	27.6	Very low	98 Å²	98	118.2 Å²	118.2	69%	0.685	68%	0.681	S	S	*	*			trans	71.4	144.3	151.7	-64.8	0	0	0	0	118.7
205	L	24.9	Very low	27.5	Very low	142 Å²	142	125.5 Å²	125.5	74%	0.743	70%	0.695	S	S	*	*			cis	-156.6	162	-1.5	-120.3	167.8	0	0	0	110.5
206	N	27.5	Very low	27.2	Very low	146 Å²	146	125.8 Å²	125.8	78%	0.781	70%	0.695	S	S	*	*			trans	68.8	136.4	173.4	-64.2	-22.3	0	0	0	116.9
207	S	29.6	Very low	27.1	Very low	97 Å²	97	129.9 Å²	129.9	68%	0.678	71%	0.711	S	S	*	*			cis	-152.2	157.4	3.9	45	0	0	0	0	115.3
208	N	29.9	Very low	26.7	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	72%	0.718	S	S	*	*			trans	82	131.8	158.1	-63.4	-10.2	0	0	0	121.6
209	S	31.4	Very low	26.6	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	73%	0.732	S	S	*	*			trans	56.5	88	165.4	37.3	0	0	0	0	116.3
210	N	30.6	Very low	26.7	Very low	137 Å²	137	133.4 Å²	133.4	73%	0.733	75%	0.747	S	S	*	*			cis	76.4	149.1	41.6	-63.9	-30.9	0	0	0	116.4
211	N	28.6	Very low	26.8	Very low	123 Å²	123	135 Å²	135	66%	0.658	76%	0.757	S	S	*	*			cis	-179.3	161.9	-41.4	-109.1	-32.4	0	0	0	110.2
212	F	24.9	Very low	27	Very low	189 Å²	189	135.6 Å²	135.6	83%	0.829	76%	0.762	S	S	*	*			trans	13.3	137.7	148	-77	-113.4	0	0	0	121.1
213	A	27.1	Very low	27	Very low	98 Å²	98	133 Å²	133	81%	0.81	76%	0.762	S	S	*	*				-144.3	132.1	125.1	0	0	0	0	0	111.4
214	S	23.8	Very low	26.8	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	76%	0.762	S	S	*	*			trans	-170.8	152.3	166.5	-87.5	0	0	0	0	111.3
215	R	25.3	Very low	26.8	Very low	238 Å²	238	129 Å²	129	90%	0.898	76%	0.764	S	S	*	*			trans	82.2	108.3	175.1	-61	-178.8	159.9	-127.9	-4.6	119.3
216	T	27.8	Very low	27	Very low	127 Å²	127	128.7 Å²	128.7	78%	0.779	77%	0.768	S	S	*	*				-154.8	114.4	118.7	22.4	0	0	0	0	106.7
217	L	25.7	Very low	27	Very low	156 Å²	156	126.2 Å²	126.2	82%	0.817	76%	0.762	S	S	*	*				57.2	134.5	100.5	-60.7	176	0	0	0	114.1
218	S	27.4	Very low	27.2	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	77%	0.767	S	S	*	*			cis	178.2	157.6	-2.8	40.9	0	0	0	0	108.7
219	S	26.4	Very low	27.1	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	77%	0.771	S	S	*	*			cis	-174.7	177.8	-7	50.9	0	0	0	0	112.1
220	S	28	Very low	26.9	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	76%	0.757	S	S	*	*			trans	69.3	117.7	155.3	57	0	0	0	0	124.1
221	S	26.4	Very low	27	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	76%	0.759	S	S	*	*			trans	101.8	141.5	133.6	70.4	0	0	0	0	122.9
222	S	27.5	Very low	27	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	77%	0.765	S	S	*	*			trans	62.4	101.4	171.5	48.1	0	0	0	0	121.3
223	D	23.2	Very low	27	Very low	150 Å²	150	125.7 Å²	125.7	80%	0.802	76%	0.761	S	S	*	*				66.8	109.5	125.8	-52.2	-16.8	0	0	0	124.2
224	S	22.8	Very low	27.1	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	76%	0.759	S	S	*	*			trans	91.5	140.6	133.5	77.6	0	0	0	0	122.5
225	S	24.5	Very low	27.3	Very low	103 Å²	103	128.1 Å²	128.1	72%	0.72	76%	0.76	S	S	*	*			trans	85	132	160.7	78.5	0	0	0	0	122
226	T	28.9	Very low	27.6	Very low	135 Å²	135	123.8 Å²	123.8	83%	0.828	76%	0.76	S	S	*	*			trans	63	146.2	158.4	55.8	0	0	0	0	120
227	S	27	Very low	27.5	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	77%	0.765	S	S	*	*			cis	-165.3	170.9	-14.5	57	0	0	0	0	111.4
228	L	33.6	Very low	27.7	Very low	153 Å²	153	122.9 Å²	122.9	80%	0.801	76%	0.755	S	S	*	*			trans	68.4	132	168.4	-54.6	169.4	0	0	0	117.7
229	M	28.2	Very low	27.9	Very low	170 Å²	170	126 Å²	126	84%	0.837	76%	0.758	S	S	*	*			cis	-151	156.9	-21.5	-152.2	149.3	78.1	0	0	110.6
230	S	27.6	Very low	28	Very low	66 Å²	66	128.1 Å²	128.1	46%	0.462	76%	0.756	S	S	.	*			trans	-75.2	156.4	-162.1	47.9	0	0	0	0	116.5	F232	S230-F232 WeakPolarHBondContact OG-CE2 3.42Å
231	S	33.4	Very low	28.1	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	75%	0.754	S	S	*	*			cis	75.7	159.7	39	-40	0	0	0	0	113.9
232	F	27.3	Very low	28.2	Very low	178 Å²	178	133.8 Å²	133.8	78%	0.781	75%	0.752	S	S	*	*				-163.9	156.8	77	-82.7	-70.8	0	0	0	115.5	S230	S230-F232 WeakPolarHBondContact OG-CE2 3.42Å
233	S	25.4	Very low	28.3	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	75%	0.748	S	S	*	*			trans	-123.7	144.1	151.2	-61.9	0	0	0	0	110
234	S	28.8	Very low	28.6	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	74%	0.739	S	S	*	*			trans	44.7	101.9	151.3	-53.9	0	0	0	0	122.2
235	N	28.9	Very low	29	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	73%	0.734	S	S	*	*			trans	32.7	125.2	130.4	-61.9	-14	0	0	0	122.1
236	T	30.6	Very low	29.2	Very low	146 Å²	146	138.5 Å²	138.5	90%	0.896	74%	0.736	S	S	*	*				-162.8	172.5	104.9	12.2	0	0	0	0	112.5
237	M	26.4	Very low	29.2	Very low	177 Å²	177	137.7 Å²	137.7	87%	0.872	73%	0.731	S	S	*	*			trans	-67.7	168.4	-170.1	-56.3	170.4	55.4	0	0	113.7
238	S	29.2	Very low	29.2	Very low	87 Å²	87	140.2 Å²	140.2	61%	0.608	74%	0.742	S	S	*	*			cis	-161.7	147.2	23.7	53.6	0	0	0	0	114.5
239	Q	31.3	Very low	28.8	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.794	74%	0.739	S	S	*	*			trans	58.1	145.2	153.2	-64.7	173.4	-11.1	0	0	119.1
240	Q	29.8	Very low	28.8	Very low	149 Å²	149	137.5 Å²	137.5	70%	0.696	74%	0.739	S	S	*	*			cis	-171.9	154	-19.5	-113.4	-178.9	-77.4	0	0	105.4
241	E	29.1	Very low	28.9	Very low	146 Å²	146	139.7 Å²	139.7	68%	0.682	75%	0.75	S	S	*	*			cis	-162.2	-131	-5.8	-155.2	-164.9	-74.4	0	0	110.7
242	Y	28.8	Very low	28.6	Very low	190 Å²	190	142.6 Å²	142.6	75%	0.745	76%	0.757	S	S	*	*			trans	61.2	74.9	170.2	-85.4	-90.2	0	0	0	120
243	Q	28.6	Very low	28.6	Very low	134 Å²	134	140.2 Å²	140.2	63%	0.626	75%	0.751	S	S	*	*				85.6	116.2	125.8	-70.7	-162.8	30	0	0	123.2
244	Q	30.2	Very low	28.6	Very low	129 Å²	129	141.9 Å²	141.9	60%	0.603	76%	0.757	S	S	*	*			trans	95.6	103	135.2	-71.1	-172.8	70.4	0	0	122.3
245	K	31.2	Very low	28.6	Very low	160 Å²	160	143.5 Å²	143.5	70%	0.696	76%	0.757	S	S	*	*			trans	86	102.4	131.4	-67	168.1	177.1	157.6	0	121.4
246	N	29	Very low	28.5	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	76%	0.761	S	S	*	*				58.7	145.5	120.1	-61.8	19.9	0	0	0	122.6
247	T	28.1	Very low	28.3	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	75%	0.754	S	S	*	*			cis	179	127.5	-27.2	35.5	0	0	0	0	109
248	V	26.7	Very low	28.3	Very low	146 Å²	146	143.3 Å²	143.3	89%	0.885	75%	0.753	S	S	*	*			trans	-152	153.1	151.6	-172.4	0	0	0	0	108.6
249	S	26.6	Very low	28.3	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	76%	0.763	S	S	*	*			trans	-155.7	150.2	175.1	-57	0	0	0	0	112.6
250	L	28.8	Very low	28.2	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	76%	0.764	S	S	*	*			trans	176.7	93.8	151.6	-118.7	70.9	0	0	0	106.7
251	T	28.3	Very low	28.2	Very low	112 Å²	112	144.2 Å²	144.2	69%	0.687	77%	0.767	S	S	*	*				62.4	124.6	81.4	66.2	0	0	0	0	117
252	N	27.1	Very low	28.3	Very low	171 Å²	171	143.6 Å²	143.6	91%	0.914	77%	0.769	S	S	*	*			trans	-149.4	149.3	141.8	-116.5	-18.5	0	0	0	109.6
253	I	27.6	Very low	28.4	Very low	128 Å²	128	141.8 Å²	141.8	66%	0.656	77%	0.771	S	S	*	*			trans	-131.8	147.1	-169.5	-65.9	169.6	0	0	0	109.8	N255	I253-N255 WeakPolarHBondContact CG2-OD1 3.47Å
254	T	26.5	Very low	28.3	Very low	143 Å²	143	142.4 Å²	142.4	88%	0.877	78%	0.777	S	S	*	*			trans	-130.1	135.8	153.3	44	0	0	0	0	110.4
255	N	27.3	Very low	28.1	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	77%	0.773	S	S	*	*			trans	-113.2	153.5	-179.7	-71.1	-18.1	0	0	0	110.7	I253	I253-N255 WeakPolarHBondContact CG2-OD1 3.47Å
256	Q	26.6	Very low	27.9	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	77%	0.774	S	S	*	*			trans	-173.2	151.7	163.7	-107	170.9	17.4	0	0	107.3
257	T	27.8	Very low	27.7	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	77%	0.77	S	S	*	*			cis	-141.2	156.9	7.3	48.5	0	0	0	0	112
258	D	26.7	Very low	27.7	Very low	159 Å²	159	142.3 Å²	142.3	85%	0.85	77%	0.772	S	S	*	*			trans	-77.5	177.6	167.7	-51.7	-87.5	0	0	0	114.4
259	S	28.2	Very low	27.7	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	76%	0.764	S	S	*	*			trans	-125.8	110.9	167.1	63.6	0	0	0	0	111.9
260	L	28.6	Very low	27.6	Very low	159 Å²	159	142.8 Å²	142.8	83%	0.832	77%	0.769	S	S	*	*			trans	-84.7	-152.2	170.5	-70.8	163.1	0	0	0	110.3
261	I	30.4	Very low	27.5	Very low	148 Å²	148	142.3 Å²	142.3	76%	0.759	77%	0.766	S	S	*	*			trans	116.8	126.9	150.9	-65.1	172	0	0	0	113.9
262	N	31.2	Very low	27.4	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	77%	0.768	S	S	*	*			cis	-169.3	-162.6	-11.7	-112.1	-5	0	0	0	110.3
263	I	30	Very low	27.3	Very low	152 Å²	152	140 Å²	140	78%	0.779	75%	0.748	S	S	*	*			trans	112.1	118.4	145.8	-65	174.1	0	0	0	112.5
264	L	27.2	Very low	27.3	Very low	146 Å²	146	136.8 Å²	136.8	76%	0.764	74%	0.741	S	S	*	*			cis	-163	173.2	-2.5	-109.5	-175.7	0	0	0	107.3
265	N	25.5	Very low	27.3	Very low	96 Å²	96	134.2 Å²	134.2	51%	0.513	72%	0.721	S	S	.	*			cis	-158.7	-177.1	6	-161.8	7	0	0	0	110.5
266	Y	28	Very low	27.4	Very low	182 Å²	182	132.4 Å²	132.4	71%	0.714	71%	0.711	S	S	*	*			trans	69.8	142.9	159.5	-63.1	-64.8	0	0	0	119.4
267	E	24.4	Very low	27.7	Very low	149 Å²	149	129.7 Å²	129.7	70%	0.696	70%	0.702	S	S	*	*			cis	-168.2	168	-32.5	-132.6	174.1	-144.6	0	0	111.2
268	T	27.5	Very low	27.7	Very low	123 Å²	123	130.2 Å²	130.2	76%	0.755	70%	0.7	S	S	*	*			trans	66	134.9	174.6	62.3	0	0	0	0	117.1
269	S	26.7	Very low	27.9	Very low	102 Å²	102	126.7 Å²	126.7	71%	0.713	69%	0.688	S	S	*	*			cis	86.7	100.1	39.4	-61.2	0	0	0	0	113.1
270	N	25.2	Very low	27.9	Very low	156 Å²	156	127.3 Å²	127.3	83%	0.834	68%	0.683	S	S	*	*				75.1	148.8	81.1	-87.7	-29.6	0	0	0	115.5
271	I	27.7	Very low	27.7	Very low	153 Å²	153	126.8 Å²	126.8	79%	0.785	68%	0.68	S	S	*	*			trans	93.5	111.8	-176.9	-55.3	162.9	0	0	0	112.4
272	I	25.4	Very low	27.4	Very low	141 Å²	141	125.1 Å²	125.1	72%	0.723	68%	0.682	S	S	*	*				73.9	116.4	71.5	-73.8	165.6	0	0	0	111.3
273	N	24.6	Very low	27.1	Very low	93 Å²	93	124.3 Å²	124.3	50%	0.497	69%	0.686	S	S	.	*			cis	-154.9	170	14.9	-67.5	-38.1	0	0	0	111.1	T198 L199	T198-N273 HydrophobicContact CG2-CB 4.02Å; L199-N273 HydrophobicContact CB-CB 4.48Å; L199-N273 HydrophobicContact CD2-CB 3.78Å; L199-N273 WeakPolarHBondContact CD2-ND2 3.41Å; L199-N273 WeakPolarHBondContact CD2-OD1 3.3Å
274	A	27.8	Very low	26.8	Very low	62 Å²	62	121.7 Å²	121.7	51%	0.512	68%	0.681	S	S	.	*			cis	101.4	127.5	4.5	0	0	0	0	0	119.9	T198 L199	T198-A274 VanDerWaalsContact CA-O 3.25Å; T198-A274 WeakPolarHBondContact CA-O 3.5Å; T198-A274 WeakPolarHBondContact CB-O 3.5Å; T198-A274 WeakPolarHBondContact CG2-O 3.31Å; L199-A274 WeakPolarHBondContact CB-O 3.32Å; L199-A274 HydrophobicContact CD1-CB 4.45Å
275	N	26.1	Very low	26.8	Very low	88 Å²	88	122 Å²	122	47%	0.471	68%	0.678	S	S	.	*			trans	91.9	161.9	157	-163	40.3	0	0	0	122.8	T198 L199	T198-N275 WeakPolarHBondContact CA-O 3.36Å; T198-N275 PolarHBondContact N-O 3.31Å; L199-N275 HydrophobicContact CB-CB 4.32Å; L199-N275 HydrophobicContact CD1-CB 3.32Å; L199-N275 HydrophobicContact CG-CB 4.39Å
276	I	30.6	Very low	27	Very low	107 Å²	107	124.9 Å²	124.9	55%	0.549	69%	0.686	S	S	.	*			trans	44.6	102.7	177.1	-66.1	165.1	0	0	0	120
277	N	31.2	Very low	27	Very low	134 Å²	134	123.2 Å²	123.2	72%	0.717	69%	0.685	S	S	*	*			trans	45.7	136.1	138.5	-58.7	1.4	0	0	0	125.2
278	N	28.2	Very low	27.2	Very low	133 Å²	133	121 Å²	121	71%	0.711	68%	0.682	S	S	*	*			trans	78.6	94.3	150.7	-74.4	13.3	0	0	0	122.5
279	S	31.5	Very low	27	Very low	85 Å²	85	121.1 Å²	121.1	59%	0.594	68%	0.682	S	S	*	*				73	125.9	121.1	65.2	0	0	0	0	123.1
280	N	27.5	Very low	27.1	Very low	131 Å²	131	121.4 Å²	121.4	70%	0.701	68%	0.682	S	S	*	*			trans	61.1	114.2	151.1	-55	-5.5	0	0	0	117.2
281	N	24.6	Very low	27.1	Very low	147 Å²	147	124.4 Å²	124.4	79%	0.786	68%	0.683	S	S	*	*				-176.5	168.2	69.4	-113	-21	0	0	0	114.4
282	S	24.5	Very low	26.9	Very low	113 Å²	113	123.2 Å²	123.2	79%	0.79	68%	0.679	S	S	*	*			trans	59	120.6	150.8	56.8	0	0	0	0	122.1
283	C	24.7	Very low	26.8	Very low	118 Å²	118	120.8 Å²	120.8	80%	0.797	67%	0.674	S	S	*	*			trans	-75.8	147.4	168.2	168.9	0	0	0	0	113.8
284	S	24.8	Very low	26.8	Very low	96 Å²	96	121 Å²	121	67%	0.671	68%	0.682	S	S	*	*			trans	175.5	132.2	130.5	-83.2	0	0	0	0	115.1
285	Q	26.8	Very low	26.7	Very low	153 Å²	153	125 Å²	125	72%	0.715	70%	0.695	S	S	*	*			trans	65.8	139.9	147.5	-69.6	-172.4	33.2	0	0	117.8
286	K	28.9	Very low	26.6	Very low	156 Å²	156	127.4 Å²	127.4	68%	0.678	71%	0.707	S	S	*	*			cis	-165.2	171.6	8	-98.3	160.4	162.6	152.5	0	106.3
287	Q	29	Very low	26.3	Very low	147 Å²	147	129.1 Å²	129.1	69%	0.687	72%	0.716	S	S	*	*			cis	-167.6	150.6	-11.1	-113.8	174.2	-93	0	0	106
288	T	28.5	Very low	26	Very low	102 Å²	102	129.5 Å²	129.5	63%	0.626	72%	0.718	S	S	*	*			cis	-163.7	122	-15.9	7.7	0	0	0	0	111.3
289	T	23.2	Very low	26.1	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	73%	0.73	S	S	*	*			trans	41.3	126.6	130.3	60.9	0	0	0	0	123
290	P	28.7	Very low	25.7	Very low	109 Å²	109	131 Å²	131	71%	0.708	74%	0.738	S	S	*	*			trans	-133.9	149.7	134.4	30.3	-14.1	0	0	0	114.6
291	Y	25.5	Very low	25.9	Very low	218 Å²	218	134.2 Å²	134.2	86%	0.855	75%	0.748	S	S	*	*			trans	59.2	177	147.3	-77.8	-113.6	0	0	0	119.2
292	D	23.4	Very low	25.9	Very low	129 Å²	129	132.1 Å²	132.1	69%	0.69	74%	0.741	S	S	*	*				-161.7	-179.2	-54.3	-150.2	-39.1	0	0	0	109.7
293	S	22.4	Very low	26	Very low	90 Å²	90	133.1 Å²	133.1	63%	0.629	74%	0.737	S	S	*	*			trans	-29.5	122.4	177.3	35.8	0	0	0	0	123.1
294	S	24.5	Very low	26.2	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	72%	0.718	S	S	*	*				76.2	137.3	127	74.9	0	0	0	0	124.4
295	N	25.8	Very low	26.2	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	72%	0.721	S	S	*	*			trans	75.6	133.3	139.2	-75.7	-2.3	0	0	0	121.7
296	I	25.4	Very low	26.4	Very low	140 Å²	140	133.3 Å²	133.3	72%	0.718	73%	0.726	S	S	*	*			cis	-155.4	150.2	-19.5	-49	176.9	0	0	0	108.2
297	I	23.3	Very low	26.2	Very low	142 Å²	142	128.6 Å²	128.6	73%	0.728	72%	0.722	S	S	*	*			trans	149.7	119.4	134.1	-75.4	172.4	0	0	0	115
298	N	25.7	Very low	25.9	Very low	143 Å²	143	128.5 Å²	128.5	77%	0.765	73%	0.726	S	S	*	*			trans	40.8	116.7	154.1	-59.8	-10	0	0	0	123.7
299	T	29	Very low	25.6	Very low	157 Å²	157	129.4 Å²	129.4	96%	0.963	73%	0.732	S	S	*	*				-169.1	178.4	120.4	15.4	0	0	0	0	110.1
300	A	23.4	Very low	25.7	Very low	92 Å²	92	129.1 Å²	129.1	76%	0.76	74%	0.735	S	S	*	*			trans	-134.5	143.1	-166.1	0	0	0	0	0	115
301	Q	31.6	Very low	25.4	Very low	198 Å²	198	128.7 Å²	128.7	93%	0.925	73%	0.73	S	S	*	*			trans	-174.1	167.9	140.6	-105	169.2	8.2	0	0	111.3
302	T	26	Very low	25.5	Very low	104 Å²	104	125 Å²	125	64%	0.638	72%	0.724	S	S	*	*			trans	-132	-179.9	-163.8	-33.7	0	0	0	0	111.9
303	L	25.5	Very low	25.6	Very low	134 Å²	134	128.1 Å²	128.1	70%	0.702	73%	0.731	S	S	*	*			trans	93.6	79.8	170.8	-46.1	-174.1	0	0	0	113.8
304	L	27.9	Very low	25.7	Very low	76 Å²	76	130.5 Å²	130.5	40%	0.398	74%	0.737	S	S	.	*				84.4	160.5	77.8	-71.3	169.8	0	0	0	111.8
305	F	26.6	Very low	25.7	Very low	167 Å²	167	132.1 Å²	132.1	73%	0.732	74%	0.738	S	S	*	*	S	Bend	cis	-156.7	172.9	36.3	-81.1	-86.2	0	0	0	112
306	P	29.7	Very low	25.7	Very low	127 Å²	127	129.2 Å²	129.2	83%	0.825	73%	0.726	S	S	*	*	S	Bend	cis	-124.9	134.3	-16.3	30.5	-12.9	0	0	0	113.1
307	G	24.4	Very low	25.7	Very low	58 Å²	58	127.7 Å²	127.7	60%	0.598	73%	0.729	S	S	*	*			cis	-174.1	162.4	-7.8	0	0	0	0	0	113.5
308	L	24.4	Very low	25.8	Very low	144 Å²	144	126.3 Å²	126.3	75%	0.754	73%	0.73	S	S	*	*			trans	60.6	82.5	174.7	-60.5	178.3	0	0	0	116.8
309	T	22.2	Very low	25.8	Very low	122 Å²	122	126.2 Å²	126.2	75%	0.748	73%	0.729	S	S	*	*			trans	-72.8	173.4	145.8	45.5	0	0	0	0	111.2	T311	T309-T311 PolarHBondContact O-N 2.94Å
310	S	23.9	Very low	25.5	Very low	120 Å²	120	125.7 Å²	125.7	84%	0.839	73%	0.726	S	S	*	*			trans	-54.3	122.6	-170.4	51.8	0	0	0	0	116.6
311	T	23.5	Very low	25.6	Very low	100 Å²	100	127.4 Å²	127.4	61%	0.613	73%	0.731	S	S	*	*			trans	-138.3	124.9	161.4	51	0	0	0	0	111.3	T309	T309-T311 PolarHBondContact O-N 2.94Å
312	I	27.3	Very low	25.2	Very low	140 Å²	140	121.2 Å²	121.2	72%	0.718	71%	0.706	S	S	*	*			trans	62	127.1	162.5	-51.8	175.6	0	0	0	116.2	N314	I312-N314 HydrophobicContact CG2-CB 4.21Å; I312-N314 PolarHBondContact O-N 3.5Å
313	F	26	Very low	25.2	Very low	194 Å²	194	120.7 Å²	120.7	85%	0.851	70%	0.7	S	S	*	*			trans	-75.7	43.4	174.5	-118.5	-80.5	0	0	0	113.4	L315	F313-L315 HydrophobicContact CD1-CD1 4.28Å; F313-L315 HydrophobicContact CE1-CD1 4.13Å; F313-L315 PolarHBondContact O-N 3.3Å
314	N	24.1	Very low	25.1	Very low	141 Å²	141	119.6 Å²	119.6	75%	0.754	70%	0.699	S	S	*	*			trans	-74.9	67.1	164.5	-87.3	0.6	0	0	0	108.9	I312	I312-N314 HydrophobicContact CG2-CB 4.21Å; I312-N314 PolarHBondContact O-N 3.5Å
315	L	24.7	Very low	25	Very low	130 Å²	130	123.2 Å²	123.2	68%	0.681	72%	0.718	S	S	*	*			trans	-61.1	131.6	162.4	-135.6	75.4	0	0	0	107.4	F313 S317	F313-L315 HydrophobicContact CD1-CD1 4.28Å; F313-L315 HydrophobicContact CE1-CD1 4.13Å; F313-L315 PolarHBondContact O-N 3.3Å; L315-S317 PolarHBondContact O-N 3.22Å
316	P	24.1	Very low	24.9	Very low	84 Å²	84	121.6 Å²	121.6	55%	0.545	72%	0.722	S	S	.	*			trans	-62.6	105.3	170.1	24.8	-32.1	0	0	0	108.5	C318 L838	P316-C318 PolarHBondContact O-N 3.07Å; P316-L838 HydrophobicContact CB-CD1 4.47Å
317	S	26.7	Very low	24.7	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	71%	0.713	S	S	*	*	S	Bend	trans	-61.5	110.8	174.1	53	0	0	0	0	108.6	L315	L315-S317 PolarHBondContact O-N 3.22Å
318	C	24.9	Very low	24.8	Very low	113 Å²	113	124 Å²	124	76%	0.764	72%	0.716	S	S	*	*	S	Bend	trans	79.7	108.3	-175.2	-49.1	0	0	0	0	116.1	P316	P316-C318 PolarHBondContact O-N 3.07Å
319	L	25.7	Very low	24.9	Very low	141 Å²	141	122.5 Å²	122.5	74%	0.738	70%	0.704	S	S	*	*				-161.9	13	122.2	-134.3	69.8	0	0	0	119.4
320	T	23.1	Very low	25.1	Very low	145 Å²	145	119.3 Å²	119.3	89%	0.89	69%	0.686	S	S	*	*	S	Bend	trans	-108.1	44.7	178.8	45.3	0	0	0	0	115.3
321	C	25.2	Very low	25.4	Very low	129 Å²	129	116.4 Å²	116.4	87%	0.872	66%	0.664	S	S	*	*			trans	-150.3	61.5	163.3	-100.9	0	0	0	0	112.1
322	T	24.1	Very low	25.7	Very low	67 Å²	67	113.1 Å²	113.1	41%	0.411	64%	0.643	S	S	.	*			trans	-127.8	47.9	170.3	46	0	0	0	0	112.1	K1043	T322-K1043 WeakPolarHBondContact O-CE 3.28Å; T322-K1043 PolarHBondContact O-NZ 2.94Å; T322-K1043 WeakPolarHBondContact OG1-CE 3.26Å; T322-K1043 PolarHBondContact OG1-NZ 3.32Å
323	N	24.9	Very low	25.8	Very low	93 Å²	93	109.8 Å²	109.8	50%	0.497	63%	0.627	S	S	.	*			trans	-92.5	106.9	152.2	-91.1	-12.2	0	0	0	107.8	L325 Q1039	N323-L325 PolarHBondContact O-N 3.23Å; N323-Q1039 PolarHBondContact ND2-NE2 3.07Å; N323-Q1039 WeakPolarHBondContact OD1-CG 3.41Å; N323-Q1039 PolarHBondContact OD1-OE1 3.15Å
324	T	23.8	Very low	26.1	Very low	112 Å²	112	102.8 Å²	102.8	69%	0.687	60%	0.597	S	S	*	*			trans	-81.5	66.3	177.8	49.2	0	0	0	0	111.2
325	L	25.6	Very low	26.4	Very low	151 Å²	151	100.5 Å²	100.5	79%	0.791	58%	0.584	S	S	*	*			trans	-79.2	115.9	148.1	-91.7	78.9	0	0	0	106.8	N323 P327	N323-L325 PolarHBondContact O-N 3.23Å; L325-P327 WeakPolarHBondContact O-CD 3.47Å
326	T	24.2	Very low	26.9	Very low	133 Å²	133	98.2 Å²	98.2	82%	0.816	57%	0.572	S	S	*	*			trans	-66.1	109.5	174.7	38.4	0	0	0	0	109.7	M328	T326-M328 PolarHBondContact O-N 3.3Å
327	P	26.5	Very low	27.3	Very low	98 Å²	98	102.1 Å²	102.1	64%	0.636	58%	0.58	S	S	*	*			trans	-72.5	130.6	-177.1	-14.7	31	0	0	0	109.5	L325 K329	L325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-K329 HydrophobicContact CB-CD 4.42Å; P327-K329 PolarHBondContact O-N 2.99Å
328	M	25.4	Very low	27.5	Very low	137 Å²	137	101.5 Å²	101.5	68%	0.675	57%	0.565	S	S	*	*			trans	-67.1	83.7	168	-65.1	-161.5	86.8	0	0	109.8	T326 V331 Q553	T326-M328 PolarHBondContact O-N 3.3Å; M328-V331 HydrophobicContact CE-CG2 3.91Å; M328-Q553 PolarHBondContact O-NE2 2.81Å
329	K	26.4	Very low	27.8	Very low	114 Å²	114	103.2 Å²	103.2	50%	0.496	56%	0.56	S	S	.	*			trans	-114.7	8.4	176.5	-92.3	174.7	173.7	164.7	0	113.9	P327 Q553	P327-K329 HydrophobicContact CB-CD 4.42Å; P327-K329 PolarHBondContact O-N 2.99Å; K329-Q553 WeakPolarHBondContact CE-O 3.37Å; K329-Q553 PolarHBondContact NZ-O 3.33Å
330	S	27.6	Very low	28.2	Very low	54 Å²	54	102.3 Å²	102.3	38%	0.378	56%	0.56	S	S	.	*	S	Bend	trans	-88.7	-20.2	167.4	-166.6	0	0	0	0	113.8	Q334	S330-Q334 VanDerWaalsContact O-CG 3.28Å; S330-Q334 WeakPolarHBondContact O-CG 3.43Å; S330-Q334 PolarHBondContact O-NE2 3.42Å
331	V	29.7	Very low	28.7	Very low	60 Å²	60	99.9 Å²	99.9	36%	0.364	54%	0.539	S	S	.	.	S	Bend	trans	-90.5	-44.2	-172.6	-179	0	0	0	0	111.9	M328 D333 Q334 L335	M328-V331 HydrophobicContact CE-CG2 3.91Å; V331-D333 VanDerWaalsContact C-N 3.35Å; V331-D333 PolarHBondContact O-N 3.47Å; V331-Q334 WeakPolarHBondContact O-CB 3.34Å; V331-Q334 PolarHBondContact O-N 2.91Å; V331-L335 HydrophobicContact CG1-CD1 4.01Å; V331-L335 HydrophobicContact CG1-CG 4.36Å; V331-L335 PolarHBondContact O-N 3.35Å; V331-L335 VanDerWaalsContact O-N 3.08Å
332	T	29.9	Very low	29	Very low	30 Å²	30	99 Å²	99	18%	0.184	52%	0.522	C	S	.	.	H	α-helix	trans	-63.9	-36.2	-175.7	-14	0	0	0	0	113.2	Q334 I336	T332-Q334 VanDerWaalsContact C-N 3.27Å; T332-Q334 PolarHBondContact O-N 3.42Å; T332-I336 WeakPolarHBondContact O-CG1 3.33Å; T332-I336 PolarHBondContact O-N 2.95Å
333	D	29.2	Very low	29.3	Very low	70 Å²	70	101.6 Å²	101.6	37%	0.374	53%	0.533	S	S	.	.	H	α-helix	trans	-80.3	-2.9	176	-84.4	-11.8	0	0	0	113.9	V331 R604	V331-D333 VanDerWaalsContact C-N 3.35Å; V331-D333 PolarHBondContact O-N 3.47Å; D333-R604 IonicContact OD1-CZ 2.93Å; D333-R604 IonicContact OD1-NH1 2.81Å; D333-R604 PolarHBondContact OD1-NH1 3.27Å; D333-R604 IonicContact OD2-CZ 2.66Å; D333-R604 IonicContact OD2-NH1 2.65Å; D333-R604 PolarHBondContact OD2-NH1 2.7Å
334	Q	33	Very low	29.8	Very low	47 Å²	47	104.8 Å²	104.8	22%	0.22	55%	0.545	C	S	.	.	H	α-helix	trans	-91.3	-48.5	167	-68.5	173.3	8.7	0	0	110.3	S330 V331 T332 I336 K337 E338 I1225 N1226	S330-Q334 VanDerWaalsContact O-CG 3.28Å; S330-Q334 WeakPolarHBondContact O-CG 3.43Å; S330-Q334 PolarHBondContact O-NE2 3.42Å; V331-Q334 WeakPolarHBondContact O-CB 3.34Å; V331-Q334 PolarHBondContact O-N 2.91Å; T332-Q334 VanDerWaalsContact C-N 3.27Å; T332-Q334 PolarHBondContact O-N 3.42Å; Q334-I336 PolarHBondContact O-N 3.23Å; Q334-I336 VanDerWaalsContact O-N 3.15Å; Q334-K337 PolarHBondContact O-N 2.9Å; Q334-E338 PolarHBondContact O-N 3.11Å; Q334-I1225 PolarHBondContact NE2-O 3.42Å; Q334-N1226 PolarHBondContact NE2-OD1 3.34Å; Q334-N1226 VanDerWaalsContact NE2-OD1 3.16Å
335	L	30	Very low	30.3	Very low	94 Å²	94	104.5 Å²	104.5	49%	0.492	54%	0.538	S	S	.	.	H	α-helix	trans	-55.6	-33.6	177.4	-68.9	170.3	0	0	0	113.5	V331 K337 E338 K339	V331-L335 HydrophobicContact CG1-CD1 4.01Å; V331-L335 HydrophobicContact CG1-CG 4.36Å; V331-L335 PolarHBondContact O-N 3.35Å; V331-L335 VanDerWaalsContact O-N 3.08Å; L335-K337 PolarHBondContact O-N 3.23Å; L335-E338 PolarHBondContact O-N 2.71Å; L335-K339 PolarHBondContact O-N 3.22Å
336	I	34.6	Very low	30.6	Very low	82 Å²	82	104 Å²	104	42%	0.421	53%	0.532	S	S	.	.	H	α-helix	trans	-69.3	-11.3	176.6	-68.6	169.1	0	0	0	113	T332 Q334	T332-I336 WeakPolarHBondContact O-CG1 3.33Å; T332-I336 PolarHBondContact O-N 2.95Å; Q334-I336 PolarHBondContact O-N 3.23Å; Q334-I336 VanDerWaalsContact O-N 3.15Å
337	K	31.9	Very low	31.1	Very low	165 Å²	165	104.7 Å²	104.7	72%	0.717	53%	0.525	S	S	*	.	H	α-helix	trans	-103.1	-19.1	170.3	-77.3	172.5	-176.9	145.2	0	114.2	Q334 L335	Q334-K337 PolarHBondContact O-N 2.9Å; L335-K337 PolarHBondContact O-N 3.23Å
338	E	31.2	Very low	31.5	Very low	96 Å²	96	105.3 Å²	105.3	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-82.8	-18.6	175.8	-67.3	174.7	147.7	0	0	111.8	Q334 L335 V340 E341	Q334-E338 PolarHBondContact O-N 3.11Å; L335-E338 PolarHBondContact O-N 2.71Å; E338-V340 PolarHBondContact O-N 3.28Å; E338-E341 PolarHBondContact O-N 2.87Å
339	K	32.4	Very low	31.9	Very low	149 Å²	149	103.6 Å²	103.6	65%	0.648	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	2.1	169.5	-87.4	-162.3	170.3	-162.8	0	116.8	L335	L335-K339 PolarHBondContact O-N 3.22Å
340	V	34.2	Very low	32.3	Very low	122 Å²	122	104.8 Å²	104.8	74%	0.739	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-4.8	172.2	-173.3	0	0	0	0	111.5	E338	E338-V340 PolarHBondContact O-N 3.28Å
341	E	33	Very low	33.1	Very low	95 Å²	95	106.2 Å²	106.2	44%	0.444	53%	0.525	S	S	.	.	S	Bend	trans	-111.8	5	177.6	-65.8	179.3	178.6	0	0	112.1	E338 I345 R1242	E338-E341 PolarHBondContact O-N 2.87Å; E341-I345 WeakPolarHBondContact O-CD1 3.43Å; E341-R1242 IonicContact OE1-CZ 3.73Å; E341-R1242 VanDerWaalsContact OE1-CZ 3.24Å; E341-R1242 IonicContact OE1-NH1 3.87Å; E341-R1242 PolarHBondContact OE1-NH1 3.22Å; E341-R1242 IonicContact OE1-NH2 3.35Å; E341-R1242 PolarHBondContact OE1-NH2 3Å; E341-R1242 IonicContact OE2-CZ 3.98Å; E341-R1242 IonicContact OE2-NE 2.68Å; E341-R1242 IonicContact OE2-NH2 3.79Å; E341-R1242 PolarHBondContact OE2-NH2 3.04Å
342	Q	31.3	Very low	33.7	Very low	110 Å²	110	108.8 Å²	108.8	51%	0.514	53%	0.531	S	S	.	.	S	Bend	trans	-84	-25.7	178.8	-66	-165.1	-68.6	0	0	114.4	I345 Q346	Q342-I345 PolarHBondContact O-N 2.97Å; Q342-I345 VanDerWaalsContact O-N 3.16Å; Q342-Q346 PolarHBondContact O-N 3.16Å; Q342-Q346 VanDerWaalsContact O-N 3.14Å
343	D	31.6	Very low	34.3	Very low	122 Å²	122	111.6 Å²	111.6	65%	0.652	54%	0.544	S	S	*	.	H	α-helix	trans	-69.1	-36.8	-173.2	-60.3	-22.6	0	0	0	112.7	I345	D343-I345 VanDerWaalsContact C-N 3.32Å; D343-I345 PolarHBondContact O-N 2.87Å
344	E	33.3	Very low	34.6	Very low	159 Å²	159	111.1 Å²	111.1	74%	0.743	55%	0.546	S	S	*	.	H	α-helix	trans	-72	-24.3	173.4	-71.2	-174.5	147.7	0	0	112.6	E348	E344-E348 PolarHBondContact O-N 3.43Å
345	I	34.5	Very low	34.9	Very low	106 Å²	106	115.7 Å²	115.7	54%	0.544	57%	0.566	S	S	.	*	H	α-helix	trans	-78.1	-31.6	178.8	-61.8	175.3	0	0	0	110.9	E341 Q342 D343 E348 L349	E341-I345 WeakPolarHBondContact O-CD1 3.43Å; Q342-I345 PolarHBondContact O-N 2.97Å; Q342-I345 VanDerWaalsContact O-N 3.16Å; D343-I345 VanDerWaalsContact C-N 3.32Å; D343-I345 PolarHBondContact O-N 2.87Å; I345-E348 PolarHBondContact O-N 2.9Å; I345-L349 VanDerWaalsContact O-CB 3.31Å; I345-L349 WeakPolarHBondContact O-CB 2.81Å; I345-L349 PolarHBondContact O-N 3.15Å
346	Q	32.6	Very low	35	Very low	142 Å²	142	113.9 Å²	113.9	66%	0.664	56%	0.564	S	S	*	*	H	α-helix	trans	-60.9	-47.4	174	-69.6	-112.6	-39.9	0	0	111.1	Q342 E348 L349 F350	Q342-Q346 PolarHBondContact O-N 3.16Å; Q342-Q346 VanDerWaalsContact O-N 3.14Å; Q346-E348 PolarHBondContact O-N 3.27Å; Q346-L349 PolarHBondContact O-N 3.1Å; Q346-F350 WeakPolarHBondContact O-CB 3.03Å; Q346-F350 PolarHBondContact O-N 3.29Å
347	E	34.5	Very low	35.2	Very low	146 Å²	146	114.3 Å²	114.3	68%	0.682	57%	0.566	S	S	*	*	H	α-helix	trans	-62.2	-42.5	177.4	-73.4	-166.6	139	0	0	112.9	T351	E347-T351 VanDerWaalsContact O-CB 3.29Å; E347-T351 WeakPolarHBondContact O-CB 3.46Å; E347-T351 PolarHBondContact O-N 3.38Å; E347-T351 PolarHBondContact O-OG1 3.25Å
348	E	35.5	Very low	35.3	Very low	112 Å²	112	114.5 Å²	114.5	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-69.3	-35.9	179.7	-150.9	-160.3	171.3	0	0	112	E344 I345 Q346 K352	E344-E348 PolarHBondContact O-N 3.43Å; I345-E348 PolarHBondContact O-N 2.9Å; Q346-E348 PolarHBondContact O-N 3.27Å; E348-K352 WeakPolarHBondContact O-CB 3.48Å; E348-K352 VanDerWaalsContact O-CG 3.29Å; E348-K352 WeakPolarHBondContact O-CG 3.25Å; E348-K352 PolarHBondContact O-N 2.95Å; E348-K352 WeakPolarHBondContact OE1-CE 3.05Å; E348-K352 IonicContact OE1-NZ 3.41Å; E348-K352 PolarHBondContact OE1-NZ 3.37Å; E348-K352 IonicContact OE2-NZ 3.46Å; E348-K352 PolarHBondContact OE2-NZ 2.83Å; E348-K352 VanDerWaalsContact OE2-NZ 3.12Å
349	L	33.4	Very low	35.5	Very low	101 Å²	101	115.3 Å²	115.3	53%	0.529	57%	0.57	S	S	.	*	H	α-helix	trans	-71.2	-42.5	175.8	-171.3	66.1	0	0	0	111.6	I345 Q346 T351 K352 I353	I345-L349 VanDerWaalsContact O-CB 3.31Å; I345-L349 WeakPolarHBondContact O-CB 2.81Å; I345-L349 PolarHBondContact O-N 3.15Å; Q346-L349 PolarHBondContact O-N 3.1Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-T351 PolarHBondContact O-N 3.15Å; L349-K352 PolarHBondContact O-N 3.15Å; L349-I353 HydrophobicContact CD1-CD1 4.26Å; L349-I353 HydrophobicContact CD2-CD1 4.49Å; L349-I353 HydrophobicContact CG-CD1 3.92Å; L349-I353 WeakPolarHBondContact O-CB 2.69Å; L349-I353 WeakPolarHBondContact O-CG1 2.92Å; L349-I353 PolarHBondContact O-N 3.41Å
350	F	35.4	Very low	35.6	Very low	138 Å²	138	115.2 Å²	115.2	61%	0.605	57%	0.572	S	S	*	*	H	α-helix	trans	-60.2	-44.9	173.9	-140.9	-86.2	0	0	0	110.2	Q346 K352 I353 S354	Q346-F350 WeakPolarHBondContact O-CB 3.03Å; Q346-F350 PolarHBondContact O-N 3.29Å; F350-K352 VanDerWaalsContact C-N 3.34Å; F350-K352 PolarHBondContact O-N 3.02Å; F350-I353 PolarHBondContact O-N 3.21Å; F350-S354 WeakPolarHBondContact O-CB 3.47Å; F350-S354 PolarHBondContact O-N 3.18Å; F350-S354 PolarHBondContact O-OG 3.12Å; F350-S354 VanDerWaalsContact O-OG 3.05Å
351	T	43.3	Very low	35.6	Very low	85 Å²	85	115.9 Å²	115.9	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-61.6	-38.9	176.6	-57.2	0	0	0	0	112.5	E347 L349 K355	E347-T351 VanDerWaalsContact O-CB 3.29Å; E347-T351 WeakPolarHBondContact O-CB 3.46Å; E347-T351 PolarHBondContact O-N 3.38Å; E347-T351 PolarHBondContact O-OG1 3.25Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-T351 PolarHBondContact O-N 3.15Å; T351-K355 WeakPolarHBondContact O-CB 3.34Å; T351-K355 PolarHBondContact O-N 3.42Å
352	K	42.3	Very low	35.5	Very low	113 Å²	113	116.4 Å²	116.4	49%	0.491	57%	0.573	S	S	.	*	H	α-helix	trans	-71.4	-41	176.7	-76	167.8	-174	164.8	0	112.5	E348 L349 F350 K355 A356	E348-K352 WeakPolarHBondContact O-CB 3.48Å; E348-K352 VanDerWaalsContact O-CG 3.29Å; E348-K352 WeakPolarHBondContact O-CG 3.25Å; E348-K352 PolarHBondContact O-N 2.95Å; E348-K352 WeakPolarHBondContact OE1-CE 3.05Å; E348-K352 IonicContact OE1-NZ 3.41Å; E348-K352 PolarHBondContact OE1-NZ 3.37Å; E348-K352 IonicContact OE2-NZ 3.46Å; E348-K352 PolarHBondContact OE2-NZ 2.83Å; E348-K352 VanDerWaalsContact OE2-NZ 3.12Å; L349-K352 PolarHBondContact O-N 3.15Å; F350-K352 VanDerWaalsContact C-N 3.34Å; F350-K352 PolarHBondContact O-N 3.02Å; K352-K355 PolarHBondContact O-N 2.97Å; K352-A356 WeakPolarHBondContact O-CB 3.16Å; K352-A356 PolarHBondContact O-N 2.96Å
353	I	43.1	Very low	35.4	Very low	90 Å²	90	118.7 Å²	118.7	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-67.6	-44	175.9	-68.7	171.5	0	0	0	110.4	L349 F350 K355 A356 I357	L349-I353 HydrophobicContact CD1-CD1 4.26Å; L349-I353 HydrophobicContact CD2-CD1 4.49Å; L349-I353 HydrophobicContact CG-CD1 3.92Å; L349-I353 WeakPolarHBondContact O-CB 2.69Å; L349-I353 WeakPolarHBondContact O-CG1 2.92Å; L349-I353 PolarHBondContact O-N 3.41Å; F350-I353 PolarHBondContact O-N 3.21Å; I353-K355 VanDerWaalsContact C-N 3.35Å; I353-K355 PolarHBondContact O-N 3.14Å; I353-A356 PolarHBondContact O-N 3.32Å; I353-I357 HydrophobicContact CG2-CD1 3.8Å; I353-I357 HydrophobicContact CG2-CG1 4.49Å; I353-I357 WeakPolarHBondContact O-CG1 3.49Å; I353-I357 PolarHBondContact O-N 2.65Å
354	S	36	Very low	35.3	Very low	59 Å²	59	120.8 Å²	120.8	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-59.5	-42.6	172.4	-64.2	0	0	0	0	111.9	F350 I357 Y358	F350-S354 WeakPolarHBondContact O-CB 3.47Å; F350-S354 PolarHBondContact O-N 3.18Å; F350-S354 PolarHBondContact O-OG 3.12Å; F350-S354 VanDerWaalsContact O-OG 3.05Å; S354-I357 PolarHBondContact O-N 2.89Å; S354-Y358 VanDerWaalsContact O-CB 3.25Å; S354-Y358 WeakPolarHBondContact O-CB 3.42Å; S354-Y358 PolarHBondContact O-N 3.43Å
355	K	38.3	Very low	35	Very low	144 Å²	144	117.6 Å²	117.6	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-64.9	-39.7	173.3	-93.1	-172.8	170.7	-178.5	0	113.3	T351 K352 I353 Y358 L359	T351-K355 WeakPolarHBondContact O-CB 3.34Å; T351-K355 PolarHBondContact O-N 3.42Å; K352-K355 PolarHBondContact O-N 2.97Å; I353-K355 VanDerWaalsContact C-N 3.35Å; I353-K355 PolarHBondContact O-N 3.14Å; K355-Y358 PolarHBondContact O-N 2.86Å; K355-L359 WeakPolarHBondContact O-CB 3.29Å; K355-L359 VanDerWaalsContact O-CG 3.31Å; K355-L359 WeakPolarHBondContact O-CG 3.42Å; K355-L359 PolarHBondContact O-N 2.97Å
356	A	32.7	Very low	34.8	Very low	56 Å²	56	121.7 Å²	121.7	46%	0.463	61%	0.606	S	S	.	*	H	α-helix	trans	-61.8	-47	176.3	0	0	0	0	0	110.9	K352 I353 L359 H360	K352-A356 WeakPolarHBondContact O-CB 3.16Å; K352-A356 PolarHBondContact O-N 2.96Å; I353-A356 PolarHBondContact O-N 3.32Å; A356-L359 PolarHBondContact O-N 2.88Å; A356-H360 WeakPolarHBondContact O-CB 3.47Å; A356-H360 PolarHBondContact O-N 2.93Å
357	I	38.6	Very low	34.7	Very low	91 Å²	91	122.3 Å²	122.3	47%	0.467	61%	0.614	S	S	.	*	H	α-helix	trans	-64.1	-42.3	177	-66.3	167.3	0	0	0	111.2	I353 S354 L359 H360 Q361	I353-I357 HydrophobicContact CG2-CD1 3.8Å; I353-I357 HydrophobicContact CG2-CG1 4.49Å; I353-I357 WeakPolarHBondContact O-CG1 3.49Å; I353-I357 PolarHBondContact O-N 2.65Å; S354-I357 PolarHBondContact O-N 2.89Å; I357-L359 VanDerWaalsContact C-N 3.33Å; I357-L359 PolarHBondContact O-N 2.88Å; I357-H360 PolarHBondContact O-N 2.88Å; I357-Q361 WeakPolarHBondContact O-CG 3.27Å; I357-Q361 PolarHBondContact O-N 3.37Å; I357-Q361 VanDerWaalsContact O-N 3.1Å
358	Y	34.5	Very low	34.5	Very low	169 Å²	169	123.3 Å²	123.3	66%	0.663	62%	0.624	S	S	*	*	H	α-helix	trans	-69.6	-27.7	179.6	-153.4	-89.7	0	0	0	113.2	S354 K355 N362	S354-Y358 VanDerWaalsContact O-CB 3.25Å; S354-Y358 WeakPolarHBondContact O-CB 3.42Å; S354-Y358 PolarHBondContact O-N 3.43Å; K355-Y358 PolarHBondContact O-N 2.86Å; Y358-N362 PolarHBondContact O-ND2 3.43Å
359	L	34.6	Very low	34.2	Very low	112 Å²	112	124.9 Å²	124.9	59%	0.586	64%	0.636	S	S	*	*	H	α-helix	trans	-75.7	-46	169.9	-74.5	165.2	0	0	0	111.1	K355 A356 I357 Q361 N362	K355-L359 WeakPolarHBondContact O-CB 3.29Å; K355-L359 VanDerWaalsContact O-CG 3.31Å; K355-L359 WeakPolarHBondContact O-CG 3.42Å; K355-L359 PolarHBondContact O-N 2.97Å; A356-L359 PolarHBondContact O-N 2.88Å; I357-L359 VanDerWaalsContact C-N 3.33Å; I357-L359 PolarHBondContact O-N 2.88Å; L359-Q361 PolarHBondContact O-N 3.18Å; L359-Q361 VanDerWaalsContact O-N 3.1Å; L359-N362 PolarHBondContact O-N 3.39Å
360	H	34.9	Very low	34.1	Very low	147 Å²	147	125.8 Å²	125.8	68%	0.681	65%	0.646	S	S	*	*	H	α-helix	trans	-64.8	-17.6	-178.6	-137.3	-40.8	0	0	0	113.8	A356 I357	A356-H360 WeakPolarHBondContact O-CB 3.47Å; A356-H360 PolarHBondContact O-N 2.93Å; I357-H360 PolarHBondContact O-N 2.88Å
361	Q	33.9	Very low	33.8	Very low	137 Å²	137	124.6 Å²	124.6	64%	0.64	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-3.8	173	-73.6	178.7	-13.9	0	0	114.5	I357 L359	I357-Q361 WeakPolarHBondContact O-CG 3.27Å; I357-Q361 PolarHBondContact O-N 3.37Å; I357-Q361 VanDerWaalsContact O-N 3.1Å; L359-Q361 PolarHBondContact O-N 3.18Å; L359-Q361 VanDerWaalsContact O-N 3.1Å
362	N	31.6	Very low	33.3	Very low	105 Å²	105	126.3 Å²	126.3	56%	0.561	66%	0.66	S	S	*	*	S	Bend	trans	-114.7	3.4	-178.8	-80.1	-76.3	0	0	0	114.6	Y358 L359	Y358-N362 PolarHBondContact O-ND2 3.43Å; L359-N362 PolarHBondContact O-N 3.39Å
363	E	29.1	Very low	32.8	Very low	158 Å²	158	126.8 Å²	126.8	74%	0.738	67%	0.668	S	S	*	*			trans	-106.8	14.6	-179.7	-66.2	-173.1	152	0	0	114.1	S365	E363-S365 PolarHBondContact O-N 3.29Å
364	L	29.2	Very low	32.1	Very low	166 Å²	166	129.3 Å²	129.3	87%	0.869	68%	0.682	S	S	*	*			trans	-97.9	49.6	174.3	-77.3	171.3	0	0	0	112.6
365	S	26.4	Very low	32	Very low	92 Å²	92	132.3 Å²	132.3	64%	0.643	70%	0.698	S	S	*	*			trans	-152.8	33	-176.7	69.3	0	0	0	0	117.3	E363	E363-S365 PolarHBondContact O-N 3.29Å
366	H	30.5	Very low	31.5	Very low	193 Å²	193	132 Å²	132	89%	0.894	70%	0.703	S	S	*	*			trans	-135.5	129.7	160.1	-99.3	28.3	0	0	0	110.4
367	N	30.4	Very low	31.5	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-99.8	129.3	179.7	-73.9	-21.3	0	0	0	110.3
368	D	31.1	Very low	30.9	Very low	167 Å²	167	140.4 Å²	140.4	89%	0.893	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-75.8	131.4	161.7	-79.1	-41.7	0	0	0	110.6
369	N	27.8	Very low	30.8	Very low	145 Å²	145	138.1 Å²	138.1	78%	0.775	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-83.2	145.7	154.8	-59.4	-83.5	0	0	0	106.1
370	T	32	Very low	30.3	Very low	120 Å²	120	139.9 Å²	139.9	74%	0.736	76%	0.761	S	S	*	*				-162.8	138.5	55.4	46.3	0	0	0	0	113.1
371	T	30.2	Very low	30.2	Very low	113 Å²	113	141.1 Å²	141.1	69%	0.693	77%	0.77	S	S	*	*			trans	29.7	117.4	144.2	61.1	0	0	0	0	118.4
372	T	32.3	Very low	29.9	Very low	120 Å²	120	141.7 Å²	141.7	74%	0.736	78%	0.778	S	S	*	*				179.8	165.1	75	39.6	0	0	0	0	109.7
373	N	30.7	Very low	29.7	Very low	124 Å²	124	142.5 Å²	142.5	66%	0.663	79%	0.792	S	S	*	*			cis	-165.9	159.2	-23.1	-99.4	-3.6	0	0	0	108.7
374	N	29.8	Very low	29.7	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	80%	0.798	S	S	*	*			trans	66.7	141.2	162.9	-61.3	-8.1	0	0	0	117.6
375	T	32.8	Very low	29.7	Very low	122 Å²	122	140 Å²	140	75%	0.748	79%	0.79	S	S	*	*			cis	-153.2	149.8	-3.1	1.9	0	0	0	0	112.6
376	N	28.5	Very low	29.5	Very low	137 Å²	137	141 Å²	141	73%	0.733	80%	0.797	S	S	*	*			trans	-29.2	144.4	173.8	-48.3	-17.7	0	0	0	118.9
377	N	32	Very low	29.3	Very low	165 Å²	165	137.4 Å²	137.4	88%	0.882	79%	0.794	S	S	*	*				-162	152	104	-101.9	-25.2	0	0	0	113.6
378	N	27	Very low	29.1	Very low	159 Å²	159	135.9 Å²	135.9	85%	0.85	79%	0.79	S	S	*	*			trans	-103.1	147.8	-173.8	-71.1	-34.1	0	0	0	112.9
379	S	31.4	Very low	28.8	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	79%	0.786	S	S	*	*			trans	-159.4	129	136	43.9	0	0	0	0	111.5
380	N	25.4	Very low	28.7	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	78%	0.781	S	S	*	*			trans	-91.6	156.5	172.5	-72.1	-25.6	0	0	0	110.3
381	I	32.4	Very low	28.5	Very low	172 Å²	172	136.3 Å²	136.3	88%	0.882	79%	0.786	S	S	*	*			trans	-161	146.6	133.2	-102.6	151.3	0	0	0	109.1
382	N	26.8	Very low	28.3	Very low	150 Å²	150	137.7 Å²	137.7	80%	0.802	79%	0.788	S	S	*	*			trans	-95	146.7	-168.5	-58.7	-36.1	0	0	0	113.7
383	S	28.9	Very low	27.9	Very low	122 Å²	122	139.4 Å²	139.4	85%	0.853	79%	0.792	S	S	*	*			trans	-149.7	148.6	139.3	58	0	0	0	0	109.6
384	N	27.4	Very low	27.8	Very low	162 Å²	162	139.6 Å²	139.6	87%	0.866	79%	0.793	S	S	*	*			trans	-98.1	160.8	-159.3	-106.8	-2.3	0	0	0	115.1
385	P	30.3	Very low	27.6	Very low	109 Å²	109	137.9 Å²	137.9	71%	0.708	79%	0.79	S	S	*	*			trans	-103.6	167.6	-171.6	40.5	-36.4	0	0	0	114.8
386	S	22.5	Very low	27.3	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	79%	0.785	S	S	*	*			trans	-177.1	158.5	141	-85.5	0	0	0	0	113.2
387	S	25.6	Very low	27.3	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	78%	0.778	S	S	*	*			trans	65.6	141	-169	76.6	0	0	0	0	113.9
388	V	27.1	Very low	27.2	Very low	123 Å²	123	136.1 Å²	136.1	75%	0.745	78%	0.775	S	S	*	*			cis	-123.6	128	16.5	174.8	0	0	0	0	112.2
389	I	23.2	Very low	27.1	Very low	159 Å²	159	136 Å²	136	82%	0.815	77%	0.773	S	S	*	*			trans	-140.8	104.6	152.9	-60.7	-178.1	0	0	0	107.8
390	N	26.2	Very low	26.8	Very low	125 Å²	125	137.1 Å²	137.1	67%	0.668	77%	0.768	S	S	*	*			trans	166.8	161.6	150.5	-88.4	-25.7	0	0	0	109.6
391	N	29.2	Very low	26.8	Very low	157 Å²	157	135.4 Å²	135.4	84%	0.84	76%	0.759	S	S	*	*			trans	78.8	81.8	-163.1	-54.1	-9.2	0	0	0	111.2
392	L	24.6	Very low	26.5	Very low	141 Å²	141	138.1 Å²	138.1	74%	0.738	76%	0.76	S	S	*	*				58.9	117	57.1	-85.7	78.9	0	0	0	115.1
393	L	25.2	Very low	26.3	Very low	157 Å²	157	135.5 Å²	135.5	82%	0.822	76%	0.759	S	S	*	*			trans	38	107.5	148.8	-71.5	74.1	0	0	0	119.5
394	N	26.8	Very low	26	Very low	128 Å²	128	134.7 Å²	134.7	68%	0.684	75%	0.749	S	S	*	*				-164.8	123.3	118.6	-140.6	-24	0	0	0	112.3	T396	N394-T396 PolarHBondContact OD1-OG1 2.91Å; N394-T396 VanDerWaalsContact OD1-OG1 3.09Å
395	P	26.9	Very low	25.8	Very low	106 Å²	106	134 Å²	134	69%	0.688	75%	0.745	S	S	*	*			trans	-89.6	8.1	178.4	35.4	-34.9	0	0	0	114.8
396	T	27.2	Very low	25.6	Very low	105 Å²	105	140.5 Å²	140.5	64%	0.644	76%	0.758	S	S	*	*	S	Bend	trans	-87.3	-19.9	-170.6	-40	0	0	0	0	114.7	N394 L398	N394-T396 PolarHBondContact OD1-OG1 2.91Å; N394-T396 VanDerWaalsContact OD1-OG1 3.09Å; T396-L398 VanDerWaalsContact C-N 3.31Å; T396-L398 PolarHBondContact O-N 3Å
397	E	27	Very low	25.7	Very low	123 Å²	123	145 Å²	145	58%	0.575	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-69.5	-20.6	-176.6	-93	-65.5	119.2	0	0	114.7	I399 N401	E397-I399 PolarHBondContact O-N 2.91Å; E397-I399 VanDerWaalsContact O-N 3.09Å; E397-N401 PolarHBondContact OE2-ND2 2.83Å
398	L	29.4	Very low	25.7	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-78.6	7	-166.3	-103.8	165.7	0	0	0	115.9	T396	T396-L398 VanDerWaalsContact C-N 3.31Å; T396-L398 PolarHBondContact O-N 3Å
399	I	26.2	Very low	25.7	Very low	158 Å²	158	149.3 Å²	149.3	81%	0.81	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-120	-16.9	-179.3	-67.1	-179.5	0	0	0	113.1	E397	E397-I399 PolarHBondContact O-N 2.91Å; E397-I399 VanDerWaalsContact O-N 3.09Å
400	L	24.7	Very low	25.7	Very low	143 Å²	143	144.9 Å²	144.9	75%	0.749	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-3.9	-172.7	-149	67	0	0	0	115.3
401	N	26.1	Very low	25.7	Very low	115 Å²	115	146 Å²	146	62%	0.615	76%	0.759	S	S	*	*	S	Bend	trans	-105.4	36.4	-174.9	-97.6	-53.7	0	0	0	114.7	E397	E397-N401 PolarHBondContact OE2-ND2 2.83Å
402	Y	25.8	Very low	25.6	Very low	229 Å²	229	147.2 Å²	147.2	90%	0.898	76%	0.76	S	S	*	*	S	Bend	trans	-129.5	16.9	178.8	-107.6	-66.5	0	0	0	114.8
403	A	21.9	Very low	25.6	Very low	95 Å²	95	148.6 Å²	148.6	79%	0.785	76%	0.762	S	S	*	*	S	Bend	trans	-114.8	-5.8	-175.2	0	0	0	0	0	114.9
404	T	23.5	Very low	26	Very low	104 Å²	104	146.1 Å²	146.1	64%	0.638	76%	0.756	S	S	*	*	S	Bend	trans	-135	155.4	-174.4	25.3	0	0	0	0	110.9
405	N	23.5	Very low	26	Very low	147 Å²	147	147 Å²	147	79%	0.786	76%	0.759	S	S	*	*			trans	66.5	88.1	178.1	-54.5	-27.7	0	0	0	116.6
406	Y	25.4	Very low	25.9	Very low	246 Å²	246	148.1 Å²	148.1	97%	0.965	76%	0.759	S	S	*	*				-152	74.8	127.7	-103.8	-66.4	0	0	0	109.8
407	Y	24.5	Very low	25.9	Very low	208 Å²	208	149.7 Å²	149.7	82%	0.816	76%	0.764	S	S	*	*			trans	-105.9	136	161.3	-135.8	-93.6	0	0	0	107.6
408	L	25	Very low	25.9	Very low	142 Å²	142	150.2 Å²	150.2	74%	0.743	76%	0.764	S	S	*	*			trans	12.1	133.3	169.2	-60.1	172.6	0	0	0	119.9
409	H	26.5	Very low	25.8	Very low	189 Å²	189	151 Å²	151	88%	0.875	76%	0.757	S	S	*	*			trans	-137.7	101.4	141.4	-110.8	-62	0	0	0	112.5
410	G	24.6	Very low	25.7	Very low	67 Å²	67	150 Å²	150	69%	0.691	75%	0.753	S	S	*	*			trans	-88.7	136.7	150.2	0	0	0	0	0	108.4
411	I	26	Very low	26	Very low	148 Å²	148	150.2 Å²	150.2	76%	0.759	75%	0.753	S	S	*	*			trans	-72.7	132.7	-169.3	-66.7	158.2	0	0	0	111.7
412	H	26.6	Very low	25.9	Very low	182 Å²	182	152.3 Å²	152.3	84%	0.843	76%	0.759	S	S	*	*				-163.2	146	126	-112.3	-80.3	0	0	0	112.1
413	Q	24.7	Very low	26	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	75%	0.751	S	S	*	*			trans	-122.9	178.9	174.9	-61.3	-173.4	-5.4	0	0	109.2
414	P	33	Very low	26.2	Very low	105 Å²	105	149.7 Å²	149.7	68%	0.682	76%	0.758	S	S	*	*				-129.5	-168.4	-62.3	38.2	-22.3	0	0	0	110.4
415	I	27.4	Very low	26.3	Very low	146 Å²	146	153.8 Å²	153.8	75%	0.749	77%	0.77	S	S	*	*			trans	169.6	120	131	-88.2	158.9	0	0	0	113
416	N	25.8	Very low	26.5	Very low	130 Å²	130	156.1 Å²	156.1	70%	0.695	78%	0.776	S	S	*	*			trans	51.1	133.1	147	-66	-11	0	0	0	125.7
417	N	27.3	Very low	26.5	Very low	138 Å²	138	151.8 Å²	151.8	74%	0.738	77%	0.769	S	S	*	*			trans	81.3	142	133.8	-73.5	-18.8	0	0	0	121.1
418	K	26.7	Very low	26.6	Very low	134 Å²	134	149 Å²	149	58%	0.583	77%	0.767	S	S	*	*			cis	-171	166	-13.8	-169.1	171.6	171.7	-158	0	110.9
419	Y	27.3	Very low	26.8	Very low	173 Å²	173	149 Å²	149	68%	0.678	77%	0.772	S	S	*	*			trans	81.5	124.5	171.9	-50.5	-74	0	0	0	114.1
420	L	24.5	Very low	26.7	Very low	137 Å²	137	149.2 Å²	149.2	72%	0.717	77%	0.774	S	S	*	*				75.8	136.4	57.3	-70.4	161.6	0	0	0	111.8
421	I	29.2	Very low	26.9	Very low	149 Å²	149	149.6 Å²	149.6	76%	0.764	78%	0.778	S	S	*	*			cis	-144.1	172.5	49.9	-77.1	172.9	0	0	0	112.3
422	E	25.2	Very low	27	Very low	159 Å²	159	149 Å²	149	74%	0.743	77%	0.772	S	S	*	*			trans	-61	172.8	172.5	-54.7	86.5	179.4	0	0	114.3
423	G	27.5	Very low	26.9	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	78%	0.777	S	S	*	*			cis	-149.1	-131.4	-0.4	0	0	0	0	0	110.4
424	E	27.3	Very low	27	Very low	199 Å²	199	145.1 Å²	145.1	93%	0.93	77%	0.773	S	S	*	*			cis	-148	-145.8	-3.4	-65.4	-175.3	106.3	0	0	108.8
425	E	24.7	Very low	26.8	Very low	190 Å²	190	148.2 Å²	148.2	89%	0.888	78%	0.779	S	S	*	*			trans	-131.9	155.7	-169.4	-59.9	178.5	145.4	0	0	114.6
426	E	28.2	Very low	26.7	Very low	196 Å²	196	149 Å²	149	92%	0.916	78%	0.784	S	S	*	*				175	166.1	123.7	-96.4	-169.1	-175.2	0	0	113.9
427	D	23.9	Very low	27	Very low	154 Å²	154	151.2 Å²	151.2	82%	0.824	79%	0.793	S	S	*	*			trans	-98.2	179.4	-158.7	-82.9	-55.6	0	0	0	117.3
428	I	27.8	Very low	26.9	Very low	151 Å²	151	152.3 Å²	152.3	77%	0.774	79%	0.791	S	S	*	*				140.3	101.6	129.9	-69.7	-178.3	0	0	0	116.9
429	V	29.1	Very low	27.1	Very low	140 Å²	140	155.3 Å²	155.3	85%	0.848	80%	0.804	S	S	*	*			trans	77.2	148.6	135	175.8	0	0	0	0	122.9
430	E	23.8	Very low	27.1	Very low	194 Å²	194	154 Å²	154	91%	0.907	81%	0.808	S	S	*	*			trans	-83.3	166.2	-173.8	-50.3	171.4	122.9	0	0	115.6
431	G	29.3	Very low	27.1	Very low	76 Å²	76	156.3 Å²	156.3	78%	0.784	82%	0.816	S	S	*	*			trans	-158.6	146.8	169.4	0	0	0	0	0	113.4
432	E	27.8	Very low	27.2	Very low	134 Å²	134	156.7 Å²	156.7	63%	0.626	82%	0.818	S	S	*	*			trans	-94.8	170.1	-163	-65.2	177.6	129.3	0	0	116.4
433	E	25.7	Very low	27	Very low	202 Å²	202	154.9 Å²	154.9	94%	0.944	82%	0.822	S	S	*	*			trans	-52.4	160.5	-172.9	-48.5	172.8	150.2	0	0	118.6
434	G	26.2	Very low	27	Very low	71 Å²	71	157.5 Å²	157.5	73%	0.732	83%	0.825	S	S	*	*			trans	170.4	115.8	157.1	0	0	0	0	0	120.8
435	E	29.1	Very low	26.7	Very low	170 Å²	170	153.8 Å²	153.8	79%	0.794	82%	0.819	S	S	*	*			trans	73	112.4	146.6	-54.5	-171.4	135.1	0	0	122.9	K18	K18-E435 IonicContact NZ-OE2 2.78Å; K18-E435 PolarHBondContact NZ-OE2 2.78Å
436	D	24.3	Very low	26.9	Very low	161 Å²	161	151.6 Å²	151.6	86%	0.861	82%	0.819	S	S	*	*			trans	-5.7	137.6	150.6	-65.3	-17.4	0	0	0	121.1
437	M	31.7	Very low	26.6	Very low	177 Å²	177	147.5 Å²	147.5	87%	0.872	81%	0.812	S	S	*	*				-156.7	157.8	125.4	-117.8	-168.4	71.2	0	0	114.6
438	K	26.6	Very low	26.9	Very low	162 Å²	162	145.2 Å²	145.2	70%	0.704	81%	0.806	S	S	*	*			trans	-90.2	152.4	174.3	-52.1	171.4	-175.8	172.5	0	111.3
439	K	30.4	Very low	26.8	Very low	197 Å²	197	145.5 Å²	145.5	86%	0.857	81%	0.809	S	S	*	*				-168.9	153.3	121.1	-106.4	167.1	-177.2	-177.1	0	111.9
440	D	26.8	Very low	26.5	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	81%	0.809	S	S	*	*			trans	-87.2	160.6	173.8	-50.3	-90.4	0	0	0	110.8
441	E	25.3	Very low	26.7	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	80%	0.8	S	S	*	*			trans	53.2	116.7	160.7	-66	175.2	-167.8	0	0	120.2
442	I	29.7	Very low	26.6	Very low	157 Å²	157	148.8 Å²	148.8	81%	0.805	81%	0.807	S	S	*	*				-156.4	139.9	119.9	-102.1	154.8	0	0	0	109.1
443	S	21.8	Very low	26.3	Very low	120 Å²	120	148.9 Å²	148.9	84%	0.839	81%	0.811	S	S	*	*			trans	-100.2	113.2	170.3	175.8	0	0	0	0	109.4
444	T	27.7	Very low	26.3	Very low	125 Å²	125	147.9 Å²	147.9	77%	0.767	80%	0.803	S	S	*	*			trans	-143.3	118.3	163.5	24.2	0	0	0	0	109.8
445	C	21.7	Very low	26.3	Very low	121 Å²	121	152.3 Å²	152.3	82%	0.818	81%	0.805	S	S	*	*			trans	-83.1	137.6	169.3	45.1	0	0	0	0	110.5
446	T	27.3	Very low	26.1	Very low	145 Å²	145	152.7 Å²	152.7	89%	0.89	80%	0.804	S	S	*	*			trans	-143.3	129.9	153.6	34.5	0	0	0	0	107.6
447	S	23.4	Very low	26	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	80%	0.802	S	S	*	*			trans	-119.2	138	169.9	-171.9	0	0	0	0	107.4
448	P	29	Very low	25.7	Very low	106 Å²	106	151.1 Å²	151.1	69%	0.688	80%	0.799	S	S	*	*			trans	-83.7	121.8	164.7	31.6	-28.4	0	0	0	110.4
449	D	25.7	Very low	25.7	Very low	157 Å²	157	152 Å²	152	84%	0.84	81%	0.806	S	S	*	*			trans	55.1	116.2	140.7	-48.1	-26.8	0	0	0	121.5
450	E	23.8	Very low	25.3	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	81%	0.806	S	S	*	*			trans	-77	147.4	151.9	-57.9	177.9	123.3	0	0	110.4
451	T	28.2	Very low	25	Very low	120 Å²	120	148.5 Å²	148.5	74%	0.736	80%	0.804	S	S	*	*				158.7	95.9	119.4	41.7	0	0	0	0	113.9
452	I	25.9	Very low	24.9	Very low	178 Å²	178	144.3 Å²	144.3	91%	0.913	80%	0.796	S	S	*	*			trans	-131.7	137.9	133.4	-63.3	-173.6	0	0	0	105.9
453	L	22.6	Very low	24.8	Very low	136 Å²	136	146.2 Å²	146.2	71%	0.712	80%	0.798	S	S	*	*			trans	-136.3	145.7	-162.5	-134.2	173.5	0	0	0	110.6
454	K	25.3	Very low	24.8	Very low	181 Å²	181	151.2 Å²	151.2	79%	0.787	80%	0.798	S	S	*	*			trans	78.7	137.3	178.1	-47.9	173.2	-173.2	176.3	0	112.1
455	E	26.8	Very low	24.8	Very low	164 Å²	164	152.1 Å²	152.1	77%	0.766	80%	0.803	S	S	*	*			cis	-146.8	160.3	41.5	-136	168.1	-136.2	0	0	115
456	F	24.3	Very low	24.9	Very low	178 Å²	178	153 Å²	153	78%	0.781	80%	0.8	S	S	*	*			trans	59.7	96.5	168.7	-72.3	-74.8	0	0	0	121.5
457	D	21.3	Very low	24.6	Very low	154 Å²	154	151.6 Å²	151.6	82%	0.824	80%	0.796	S	S	*	*			trans	-68.4	139.6	136	-63	-71.9	0	0	0	110.2
458	N	26.6	Very low	24.6	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	80%	0.797	S	S	*	*				-166.2	156	129.1	-129.8	-16	0	0	0	116.5
459	E	25.4	Very low	24.5	Very low	180 Å²	180	154.8 Å²	154.8	84%	0.841	81%	0.807	S	S	*	*			trans	67.3	126	160.8	-62.7	-162.1	160.1	0	0	122.4
460	L	22.5	Very low	24.5	Very low	165 Å²	165	155.3 Å²	155.3	86%	0.864	81%	0.807	S	S	*	*			trans	-101.7	145.4	172.3	179.4	75.4	0	0	0	109.5
461	S	21.5	Very low	24.5	Very low	103 Å²	103	154.1 Å²	154.1	72%	0.72	81%	0.806	S	S	*	*			trans	84.5	162.6	164.2	88.9	0	0	0	0	119.9
462	S	21.9	Very low	24.5	Very low	100 Å²	100	157.6 Å²	157.6	70%	0.699	81%	0.814	S	S	*	*			trans	76.3	76.3	152	-55.3	0	0	0	0	120.4
463	K	27.3	Very low	24.5	Very low	196 Å²	196	157.8 Å²	157.8	85%	0.852	82%	0.816	S	S	*	*			trans	-159.8	126.6	139.8	-95.6	131.3	-171.7	171.9	0	106.8
464	R	21.9	Very low	24.6	Very low	225 Å²	225	158.3 Å²	158.3	85%	0.849	82%	0.82	S	S	*	*			cis	49.5	96	46	-65.4	-161.2	-172	-151.7	5.7	112.2
465	V	28.3	Very low	24.6	Very low	144 Å²	144	156.5 Å²	156.5	87%	0.873	82%	0.818	S	S	*	*			trans	-111.9	118.9	159.9	178.7	0	0	0	0	105.9
466	D	23.1	Very low	24.7	Very low	141 Å²	141	158.1 Å²	158.1	75%	0.754	82%	0.822	S	S	*	*			trans	-80.1	168.3	-179.8	-70.7	-62.1	0	0	0	111.8	S468	D466-S468 PolarHBondContact O-N 3.23Å
467	S	22.2	Very low	24.8	Very low	115 Å²	115	155.6 Å²	155.6	80%	0.804	82%	0.822	S	S	*	*	S	Bend	trans	-80.8	112	-172.1	55.1	0	0	0	0	113.8
468	S	23.6	Very low	25	Very low	111 Å²	111	153.7 Å²	153.7	78%	0.776	82%	0.816	S	S	*	*			trans	-171.2	98.5	142.6	11.4	0	0	0	0	110.7	D466	D466-S468 PolarHBondContact O-N 3.23Å
469	D	26.3	Very low	25	Very low	171 Å²	171	151.6 Å²	151.6	91%	0.914	81%	0.813	S	S	*	*			trans	178.6	75.5	150.3	-96.4	-17	0	0	0	108.9
470	M	25.3	Very low	25.1	Very low	168 Å²	168	151.1 Å²	151.1	83%	0.828	82%	0.815	S	S	*	*			trans	-138.1	84	173.1	-88.1	-85	-169	0	0	106.6
471	D	24.8	Very low	25.3	Very low	156 Å²	156	152 Å²	152	83%	0.834	81%	0.807	S	S	*	*	S	Bend	trans	176.7	67	157.4	-91.2	-19.2	0	0	0	111
472	Q	27.4	Very low	25.8	Very low	192 Å²	192	152.3 Å²	152.3	90%	0.897	80%	0.8	S	S	*	*			trans	-177.4	86	158.1	-107.1	155.7	105.3	0	0	112
473	L	25.8	Very low	26.5	Very low	182 Å²	182	151.4 Å²	151.4	95%	0.953	79%	0.791	S	S	*	*			trans	-168.9	84.5	154.9	-113.8	166.5	0	0	0	110.2
474	D	24.7	Very low	26.9	Very low	147 Å²	147	149.7 Å²	149.7	79%	0.786	79%	0.786	S	S	*	*			trans	-141.8	159	171.3	-145.5	-22.3	0	0	0	110.7
475	L	26.2	Very low	27.8	Very low	143 Å²	143	142.7 Å²	142.7	75%	0.749	77%	0.771	S	S	*	*	S	Bend	trans	55.6	71.4	-178.8	-73.7	76.1	0	0	0	116.9
476	K	27.4	Very low	28.6	Very low	198 Å²	198	139 Å²	139	86%	0.861	75%	0.746	S	S	*	*	S	Bend	trans	-155.3	11	144.4	-121.6	162.2	-170.9	171.6	0	118.9
477	T	27.4	Very low	29.6	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	73%	0.727	S	S	*	*			trans	-126.4	62.8	-178.6	52.4	0	0	0	0	112.7
478	T	25.8	Very low	30.6	Very low	115 Å²	115	137.5 Å²	137.5	71%	0.706	72%	0.724	S	S	*	*			trans	-116.1	13.1	-178.6	32.1	0	0	0	0	114.5
479	S	25.3	Very low	31.6	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	71%	0.714	S	S	*	*	S	Bend	trans	-135.3	35	-170.4	58.3	0	0	0	0	115.9
480	L	27.8	Very low	32.4	Very low	171 Å²	171	130.9 Å²	130.9	90%	0.895	69%	0.685	S	S	*	*			trans	-149.9	45.9	168.6	-145.6	82.5	0	0	0	113.9	L482	L480-L482 PolarHBondContact O-N 2.76Å
481	W	28.1	Very low	32.9	Very low	182 Å²	182	127.3 Å²	127.3	69%	0.689	68%	0.675	S	S	*	*			trans	-83.5	104.5	-178.1	-64.9	95.2	0	0	0	112.2
482	L	30.8	Very low	33.7	Very low	111 Å²	111	127.2 Å²	127.2	58%	0.581	67%	0.674	S	S	*	*			trans	-62.8	132.5	156.2	-71.2	172.3	0	0	0	109.1	L480 D486 R535	L480-L482 PolarHBondContact O-N 2.76Å; L482-D486 HydrophobicContact CB-CB 4.18Å; L482-R535 PolarHBondContact O-NH2 3.4Å
483	T	36.1	Very low	34.6	Very low	81 Å²	81	118.7 Å²	118.7	50%	0.497	64%	0.635	S	S	.	*			trans	-85.9	175.7	-166.9	64.1	0	0	0	0	112	S485 D486	T483-S485 PolarHBondContact O-N 3Å; T483-S485 PolarHBondContact OG1-OG 3.35Å; T483-D486 PolarHBondContact N-OD2 3.11Å; T483-D486 WeakPolarHBondContact O-CB 3.37Å; T483-D486 PolarHBondContact O-N 2.93Å; T483-D486 VanDerWaalsContact O-N 3.13Å; T483-D486 PolarHBondContact OG1-OD2 3.11Å
484	E	37.3	Very low	35.8	Very low	159 Å²	159	113.2 Å²	113.2	74%	0.743	61%	0.608	S	S	*	*	H	α-helix	trans	-62.3	-28.4	-179.6	-63.4	-179.8	130.5	0	0	112.7	D486 I487 H488	E484-D486 VanDerWaalsContact C-N 3.28Å; E484-D486 PolarHBondContact O-N 3.13Å; E484-I487 PolarHBondContact O-N 3.13Å; E484-I487 VanDerWaalsContact O-N 3.17Å; E484-H488 PolarHBondContact O-CD2 3.26Å; E484-H488 VanDerWaalsContact O-CD2 3.23Å; E484-H488 PolarHBondContact O-N 2.35Å; E484-H488 VanDerWaalsContact O-N 3.07Å
485	S	41.1	Very low	37.1	Very low	78 Å²	78	114.5 Å²	114.5	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-64.1	-30.6	175.7	61	0	0	0	0	113	T483 I487 H488 S489	T483-S485 PolarHBondContact O-N 3Å; T483-S485 PolarHBondContact OG1-OG 3.35Å; S485-I487 VanDerWaalsContact C-N 3.29Å; S485-I487 PolarHBondContact O-N 3.07Å; S485-H488 PolarHBondContact O-N 2.87Å; S485-S489 PolarHBondContact O-N 2.73Å
486	D	44.7	Very low	38.6	Very low	66 Å²	66	108.2 Å²	108.2	35%	0.353	58%	0.578	S	S	.	*	H	α-helix	trans	-67.2	-32.1	176.4	-62.8	-67.1	0	0	0	111.6	L482 T483 E484 S489	L482-D486 HydrophobicContact CB-CB 4.18Å; T483-D486 PolarHBondContact N-OD2 3.11Å; T483-D486 WeakPolarHBondContact O-CB 3.37Å; T483-D486 PolarHBondContact O-N 2.93Å; T483-D486 VanDerWaalsContact O-N 3.13Å; T483-D486 PolarHBondContact OG1-OD2 3.11Å; E484-D486 VanDerWaalsContact C-N 3.28Å; E484-D486 PolarHBondContact O-N 3.13Å; D486-S489 WeakPolarHBondContact O-CB 3.48Å; D486-S489 PolarHBondContact O-OG 2.85Å
487	I	44.7	Very low	40.5	Very low	68 Å²	68	99.5 Å²	99.5	35%	0.349	54%	0.54	S	S	.	.	H	α-helix	trans	-76.8	-40.6	175.2	-59.7	179	0	0	0	110.4	E484 S485 S489 I490 V494	E484-I487 PolarHBondContact O-N 3.13Å; E484-I487 VanDerWaalsContact O-N 3.17Å; S485-I487 VanDerWaalsContact C-N 3.29Å; S485-I487 PolarHBondContact O-N 3.07Å; I487-S489 PolarHBondContact O-N 2.83Å; I487-I490 PolarHBondContact O-N 3.3Å; I487-V494 HydrophobicContact CG2-CG1 4.23Å; I487-V494 HydrophobicContact CG2-CG2 4.26Å
488	H	43	Very low	42.5	Very low	158 Å²	158	99 Å²	99	73%	0.731	53%	0.528	S	S	*	.	H	α-helix	trans	-68.6	-13.2	174.7	-74.2	-65.4	0	0	0	114.1	E484 S485 I490	E484-H488 PolarHBondContact O-CD2 3.26Å; E484-H488 VanDerWaalsContact O-CD2 3.23Å; E484-H488 PolarHBondContact O-N 2.35Å; E484-H488 VanDerWaalsContact O-N 3.07Å; S485-H488 PolarHBondContact O-N 2.87Å; H488-I490 PolarHBondContact O-N 3.11Å; H488-I490 VanDerWaalsContact O-N 3.11Å
489	S	44.3	Very low	44.8	Very low	83 Å²	83	96.8 Å²	96.8	58%	0.58	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-3	172.8	80.9	0	0	0	0	114.9	S485 D486 I487 P491	S485-S489 PolarHBondContact O-N 2.73Å; D486-S489 WeakPolarHBondContact O-CB 3.48Å; D486-S489 PolarHBondContact O-OG 2.85Å; I487-S489 PolarHBondContact O-N 2.83Å; S489-P491 WeakPolarHBondContact O-CD 3.32Å
490	I	43.5	Very low	47.2	Very low	59 Å²	59	93.9 Å²	93.9	30%	0.303	48%	0.481	S	S	.	.	S	Bend	trans	-116	85.8	179.7	-64.3	170.2	0	0	0	110.3	I487 H488 L493 V494	I487-I490 PolarHBondContact O-N 3.3Å; H488-I490 PolarHBondContact O-N 3.11Å; H488-I490 VanDerWaalsContact O-N 3.11Å; I490-L493 HydrophobicContact CG2-CB 4.16Å; I490-V494 HydrophobicContact CB-CG2 4.31Å; I490-V494 HydrophobicContact CG2-CG2 4.26Å
491	P	33.8	Very low	49.2	Very low	93 Å²	93	90.9 Å²	90.9	60%	0.604	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	149.4	175.5	-24.7	34.5	0	0	0	113.1	S489 L493	S489-P491 WeakPolarHBondContact O-CD 3.32Å; P491-L493 PolarHBondContact O-N 2.8Å
492	N	42.9	Very low	51.1	Low	155 Å²	155	84 Å²	84	83%	0.829	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	4.5	166.4	-56.9	3	0	0	0	118.2
493	L	46	Very low	52.9	Low	12 Å²	12	80.1 Å²	80.1	6%	0.063	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-30.6	-179.1	-159.2	65.4	0	0	0	115.1	I490 P491 E495 S496 A542 H545 R546	I490-L493 HydrophobicContact CG2-CB 4.16Å; P491-L493 PolarHBondContact O-N 2.8Å; L493-E495 PolarHBondContact O-N 3.03Å; L493-S496 PolarHBondContact O-N 3.16Å; L493-S496 PolarHBondContact O-OG 3.17Å; L493-A542 HydrophobicContact CD2-CB 4.06Å; L493-A542 WeakPolarHBondContact CD2-O 3.43Å; L493-H545 HydrophobicContact CD1-CB 4.04Å; L493-H545 HydrophobicContact CD2-CB 4.23Å; L493-R546 HydrophobicContact CD2-CB 4.25Å
494	V	51.5	Low	54.4	Low	67 Å²	67	80.3 Å²	80.3	41%	0.406	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-61.4	-32	177.6	-177.2	0	0	0	0	111.5	I487 I490 S496 I497	I487-V494 HydrophobicContact CG2-CG1 4.23Å; I487-V494 HydrophobicContact CG2-CG2 4.26Å; I490-V494 HydrophobicContact CB-CG2 4.31Å; I490-V494 HydrophobicContact CG2-CG2 4.26Å; V494-S496 PolarHBondContact O-N 3.19Å; V494-I497 PolarHBondContact O-N 2.99Å
495	E	50.9	Low	55.7	Low	175 Å²	175	77.6 Å²	77.6	82%	0.818	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-60.1	-19.1	178.7	-159.1	159.8	-133.5	0	0	113.8	L493	L493-E495 PolarHBondContact O-N 3.03Å
496	S	58	Low	57.2	Low	11 Å²	11	74.5 Å²	74.5	8%	0.077	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-86.3	-22.3	173	71.1	0	0	0	0	114.5	L493 V494 C522 S523	L493-S496 PolarHBondContact O-N 3.16Å; L493-S496 PolarHBondContact O-OG 3.17Å; V494-S496 PolarHBondContact O-N 3.19Å; S496-C522 CarbonylContact O-C 3.58Å; S496-S523 VanDerWaalsContact O-CB 3.29Å; S496-S523 WeakPolarHBondContact O-CB 3.22Å; S496-S523 PolarHBondContact O-N 3.15Å; S496-S523 PolarHBondContact O-OG 3.36Å
497	I	68.5	Low	58.1	Low	14 Å²	14	74.6 Å²	74.6	7%	0.072	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	96.6	-173.6	-57	178.9	0	0	0	109.1	V494 Y520 H521 C522 M538 A542	V494-I497 PolarHBondContact O-N 2.99Å; I497-Y520 HydrophobicContact CG2-CD1 4.34Å; I497-H521 CarbonylContact C-O 3.03Å; I497-H521 VanDerWaalsContact CA-O 3.3Å; I497-H521 WeakPolarHBondContact CA-O 3.45Å; I497-C522 HydrophobicContact CG1-CB 4.38Å; I497-M538 HydrophobicContact CD1-CG 4.43Å; I497-M538 HydrophobicContact CG2-CG 4.03Å; I497-M538 HydrophobicContact CG2-SD 4.47Å; I497-A542 HydrophobicContact CD1-CB 4.11Å
498	K	68.5	Low	59.2	Low	114 Å²	114	75.9 Å²	75.9	50%	0.496	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.7	179.6	-72.3	-176.2	177.1	-179.4	0	110.6	Y500 Y520 H521	K498-Y500 HydrophobicContact CB-CD2 4.33Å; K498-Y500 HydrophobicContact CB-CE2 3.55Å; K498-Y500 WeakPolarHBondContact O-CD2 3.43Å; K498-Y520 CarbonylContact O-C 3.55Å; K498-Y520 VanDerWaalsContact O-CA 3.3Å; K498-Y520 WeakPolarHBondContact O-CA 3.5Å; K498-H521 PolarHBondContact N-O 2.58Å; K498-H521 PolarHBondContact O-N 2.82Å
499	K	74.5	Confident	60.2	Low	69 Å²	69	74.4 Å²	74.4	30%	0.3	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.9	164.1	-169.5	-174.1	176.2	-155.6	0	109.3	H501 E518 Y520	K499-H501 WeakPolarHBondContact CE-NE2 3.44Å; K499-H501 PolarHBondContact NZ-CD2 3.22Å; K499-H501 VanDerWaalsContact NZ-CD2 3.35Å; K499-H501 PolarHBondContact NZ-NE2 2.91Å; K499-E518 WeakPolarHBondContact CE-OE1 3.48Å; K499-E518 WeakPolarHBondContact CE-OE2 3.49Å; K499-E518 IonicContact NZ-OE1 3.88Å; K499-E518 PolarHBondContact NZ-OE1 3.32Å; K499-E518 IonicContact NZ-OE2 3.4Å; K499-E518 PolarHBondContact NZ-OE2 3.43Å; K499-Y520 HydrophobicContact CB-CD1 3.63Å; K499-Y520 HydrophobicContact CB-CE1 3.56Å; K499-Y520 HydrophobicContact CD-CE1 3.86Å; K499-Y520 HydrophobicContact CG-CD1 3.89Å; K499-Y520 HydrophobicContact CG-CE1 3.55Å; K499-Y520 HydrophobicContact CG-CE2 4.47Å; K499-Y520 HydrophobicContact CG-CG 4.5Å
500	Y	74.7	Confident	61.3	Low	45 Å²	45	74 Å²	74	18%	0.176	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.9	173.8	-68.5	-88.4	0	0	0	109.3	K498 E505 C506 E518 H519 H521	K498-Y500 HydrophobicContact CB-CD2 4.33Å; K498-Y500 HydrophobicContact CB-CE2 3.55Å; K498-Y500 WeakPolarHBondContact O-CD2 3.43Å; Y500-E505 HydrophobicContact CD1-CB 3.69Å; Y500-E505 HydrophobicContact CE1-CB 4.38Å; Y500-C506 HydrophobicContact CD1-CB 3.81Å; Y500-C506 HydrophobicContact CD2-CB 4.22Å; Y500-C506 HydrophobicContact CE1-CB 4Å; Y500-C506 HydrophobicContact CE2-CB 4.42Å; Y500-C506 HydrophobicContact CG-CB 3.91Å; Y500-E518 WeakPolarHBondContact O-CA 3.36Å; Y500-H519 VanDerWaalsContact CB-CE1 3.5Å; Y500-H519 WeakPolarHBondContact CB-CE1 3.31Å; Y500-H519 PolarHBondContact N-O 3.35Å; Y500-H519 PolarHBondContact O-N 3.24Å; Y500-H521 AromaticContact CD2-CD2 3.76Å; Y500-H521 HydrophobicContact CE2-CB 4.11Å; Y500-H521 AromaticContact CE2-CD2 3.68Å
501	H	71.3	Confident	62.7	Low	109 Å²	109	71.2 Å²	71.2	51%	0.505	38%	0.382	S	S	.	.	S	Bend	trans	-104.8	-0	-176.2	-61.9	93.2	0	0	0	112.8	K499 E505 K517 E518	K499-H501 WeakPolarHBondContact CE-NE2 3.44Å; K499-H501 PolarHBondContact NZ-CD2 3.22Å; K499-H501 VanDerWaalsContact NZ-CD2 3.35Å; K499-H501 PolarHBondContact NZ-NE2 2.91Å; H501-E505 PolarHBondContact N-OE2 2.35Å; H501-K517 CarbonylContact C-O 3.54Å; H501-E518 IonicContact CD2-OE1 2.76Å; H501-E518 PolarHBondContact CD2-OE1 2.97Å
502	S	67.8	Low	64.4	Low	36 Å²	36	73.9 Å²	73.9	25%	0.252	38%	0.38	S	S	.	.	S	Bend	trans	-149.7	153.1	161.8	68	0	0	0	0	111.6	D504 E505 K517	S502-D504 PolarHBondContact O-N 3.01Å; S502-E505 WeakPolarHBondContact CB-OE1 3.45Å; S502-E505 PolarHBondContact N-OE1 3.14Å; S502-E505 VanDerWaalsContact N-OE1 3.14Å; S502-E505 PolarHBondContact N-OE2 3.32Å; S502-E505 PolarHBondContact O-N 3.14Å; S502-E505 VanDerWaalsContact OG-CG 3.3Å; S502-E505 WeakPolarHBondContact OG-CG 3.37Å; S502-E505 PolarHBondContact OG-OE1 2.99Å; S502-K517 PolarHBondContact N-O 3Å
503	N	67.5	Low	65.6	Low	30 Å²	30	70.9 Å²	70.9	16%	0.16	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.8	175.9	39.1	-100.4	0	0	0	115.3	C506 C511 K515 L516	N503-C506 PolarHBondContact O-SG 3.35Å; N503-C511 WeakPolarHBondContact CB-O 3.15Å; N503-K515 WeakPolarHBondContact OD1-CA 3.39Å; N503-L516 PolarHBondContact N-O 3.36Å; N503-L516 PolarHBondContact OD1-N 2.93Å; N503-L516 PolarHBondContact OD1-O 2.9Å
504	D	67.2	Low	66.5	Low	86 Å²	86	73.3 Å²	73.3	46%	0.46	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-20.4	176.6	-71.2	-93.8	0	0	0	113.2	S502 C506 R512	S502-D504 PolarHBondContact O-N 3.01Å; D504-C506 VanDerWaalsContact C-N 3.34Å; D504-C506 PolarHBondContact O-N 3.13Å; D504-R512 IonicContact OD1-CZ 3.17Å; D504-R512 IonicContact OD1-NE 2.72Å; D504-R512 PolarHBondContact OD1-NE 2.95Å; D504-R512 IonicContact OD1-NH2 2.73Å; D504-R512 PolarHBondContact OD1-NH2 2.43Å
505	E	65.6	Low	67.3	Low	102 Å²	102	78.1 Å²	78.1	48%	0.477	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.6	177.9	-74.9	152.2	-140.4	0	0	114	Y500 H501 S502	Y500-E505 HydrophobicContact CD1-CB 3.69Å; Y500-E505 HydrophobicContact CE1-CB 4.38Å; H501-E505 PolarHBondContact N-OE2 2.35Å; S502-E505 WeakPolarHBondContact CB-OE1 3.45Å; S502-E505 PolarHBondContact N-OE1 3.14Å; S502-E505 VanDerWaalsContact N-OE1 3.14Å; S502-E505 PolarHBondContact N-OE2 3.32Å; S502-E505 PolarHBondContact O-N 3.14Å; S502-E505 VanDerWaalsContact OG-CG 3.3Å; S502-E505 WeakPolarHBondContact OG-CG 3.37Å; S502-E505 PolarHBondContact OG-OE1 2.99Å
506	C	72.4	Confident	67.9	Low	13 Å²	13	71.2 Å²	71.2	9%	0.088	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-20.5	-170.8	70.1	0	0	0	0	114.9	Y500 N503 D504 F508 C511 H519	Y500-C506 HydrophobicContact CD1-CB 3.81Å; Y500-C506 HydrophobicContact CD2-CB 4.22Å; Y500-C506 HydrophobicContact CE1-CB 4Å; Y500-C506 HydrophobicContact CE2-CB 4.42Å; Y500-C506 HydrophobicContact CG-CB 3.91Å; N503-C506 PolarHBondContact O-SG 3.35Å; D504-C506 VanDerWaalsContact C-N 3.34Å; D504-C506 PolarHBondContact O-N 3.13Å; C506-F508 PolarHBondContact O-N 3.2Å; C506-F508 PolarHBondContact SG-N 2.64Å; C506-C511 WeakPolarHBondContact SG-CB 3.44Å; C506-H519 WeakPolarHBondContact CB-NE2 3.32Å
507	G	64.3	Low	68.3	Low	68 Å²	68	78.6 Å²	78.6	70%	0.701	40%	0.404	S	S	*	.			trans	71.1	1.4	-176.6	0	0	0	0	0	116.5
508	F	66.4	Low	68.5	Low	95 Å²	95	82.8 Å²	82.8	42%	0.417	42%	0.424	S	S	.	.			trans	-95.5	122.9	178.4	-77.2	-73.9	0	0	0	112.6	C506 V510 C511 R512 H521	C506-F508 PolarHBondContact O-N 3.2Å; C506-F508 PolarHBondContact SG-N 2.64Å; F508-V510 PolarHBondContact O-N 3.49Å; F508-V510 VanDerWaalsContact O-N 3.12Å; F508-C511 WeakPolarHBondContact O-CB 3.17Å; F508-C511 PolarHBondContact O-N 2.8Å; F508-R512 PolarHBondContact O-N 2.99Å; F508-R512 VanDerWaalsContact O-N 3.12Å; F508-H521 AromaticContact CD2-CE1 3.85Å; F508-H521 AromaticContact CD2-NE2 3.64Å
509	D	65	Low	69	Low	126 Å²	126	77.4 Å²	77.4	67%	0.674	40%	0.4	S	S	*	.	H	α-helix	trans	-57.5	-29.3	-179.5	-67.6	-53.1	0	0	0	113.8	R512 S513	D509-R512 PolarHBondContact O-N 2.84Å; D509-S513 WeakPolarHBondContact O-CB 3.43Å; D509-S513 PolarHBondContact O-N 3.04Å; D509-S513 PolarHBondContact O-OG 2.94Å
510	V	67.1	Low	69	Low	75 Å²	75	76.2 Å²	76.2	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-67.3	-39.8	177.4	-171.4	0	0	0	0	111.3	F508 S513 S514 I531	F508-V510 PolarHBondContact O-N 3.49Å; F508-V510 VanDerWaalsContact O-N 3.12Å; V510-S513 PolarHBondContact O-OG 2.98Å; V510-S513 VanDerWaalsContact O-OG 3.14Å; V510-S514 WeakPolarHBondContact O-CB 3.35Å; V510-S514 PolarHBondContact O-N 3.35Å; V510-S514 PolarHBondContact O-OG 3.39Å; V510-I531 HydrophobicContact CB-CD1 3.94Å; V510-I531 HydrophobicContact CG1-CD1 3.54Å
511	C	71.6	Confident	69.1	Low	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-70.4	-39.8	174.1	-62.7	0	0	0	0	111.5	N503 C506 F508 S514 K515 L516 H521 I531	N503-C511 WeakPolarHBondContact CB-O 3.15Å; C506-C511 WeakPolarHBondContact SG-CB 3.44Å; F508-C511 WeakPolarHBondContact O-CB 3.17Å; F508-C511 PolarHBondContact O-N 2.8Å; C511-S514 CarbonylContact O-C 3.51Å; C511-S514 PolarHBondContact O-N 2.94Å; C511-K515 PolarHBondContact O-N 3.12Å; C511-K515 VanDerWaalsContact O-N 3.1Å; C511-L516 HydrophobicContact CB-CD1 4.29Å; C511-H521 PolarHBondContact SG-CE1 3.44Å; C511-H521 PolarHBondContact SG-NE2 2.99Å; C511-I531 WeakPolarHBondContact SG-CD1 3.42Å
512	R	70.3	Confident	69.3	Low	150 Å²	150	70.7 Å²	70.7	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-64.7	-46.5	-179.6	-157.6	177.7	-157.9	-167.1	5.6	112.6	D504 F508 D509 S514 K515	D504-R512 IonicContact OD1-CZ 3.17Å; D504-R512 IonicContact OD1-NE 2.72Å; D504-R512 PolarHBondContact OD1-NE 2.95Å; D504-R512 IonicContact OD1-NH2 2.73Å; D504-R512 PolarHBondContact OD1-NH2 2.43Å; F508-R512 PolarHBondContact O-N 2.99Å; F508-R512 VanDerWaalsContact O-N 3.12Å; D509-R512 PolarHBondContact O-N 2.84Å; R512-S514 VanDerWaalsContact C-N 3.3Å; R512-S514 PolarHBondContact O-N 3.38Å; R512-K515 PolarHBondContact O-N 3.37Å
513	S	67.7	Low	69.1	Low	92 Å²	92	72.5 Å²	72.5	64%	0.643	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-31	173.8	51.7	0	0	0	0	112.8	D509 V510	D509-S513 WeakPolarHBondContact O-CB 3.43Å; D509-S513 PolarHBondContact O-N 3.04Å; D509-S513 PolarHBondContact O-OG 2.94Å; V510-S513 PolarHBondContact O-OG 2.98Å; V510-S513 VanDerWaalsContact O-OG 3.14Å
514	S	66.4	Low	68.7	Low	63 Å²	63	74.8 Å²	74.8	44%	0.441	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.4	-179.5	-56.4	0	0	0	0	115.1	V510 C511 R512 L516	V510-S514 WeakPolarHBondContact O-CB 3.35Å; V510-S514 PolarHBondContact O-N 3.35Å; V510-S514 PolarHBondContact O-OG 3.39Å; C511-S514 CarbonylContact O-C 3.51Å; C511-S514 PolarHBondContact O-N 2.94Å; R512-S514 VanDerWaalsContact C-N 3.3Å; R512-S514 PolarHBondContact O-N 3.38Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 2.94Å
515	K	68	Low	67.9	Low	167 Å²	167	79.8 Å²	79.8	73%	0.726	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	42	177.6	-58.5	-174.7	179.9	177.5	0	114.9	N503 C511 R512 K517	N503-K515 WeakPolarHBondContact OD1-CA 3.39Å; C511-K515 PolarHBondContact O-N 3.12Å; C511-K515 VanDerWaalsContact O-N 3.1Å; R512-K515 PolarHBondContact O-N 3.37Å; K515-K517 PolarHBondContact O-N 3.4Å
516	L	63.7	Low	66.7	Low	31 Å²	31	82.3 Å²	82.3	16%	0.162	43%	0.432	C	S	.	.			trans	-77.4	99.7	-173.8	-57.4	177.9	0	0	0	113.2	N503 C511 S514 H519 I531 L533	N503-L516 PolarHBondContact N-O 3.36Å; N503-L516 PolarHBondContact OD1-N 2.93Å; N503-L516 PolarHBondContact OD1-O 2.9Å; C511-L516 HydrophobicContact CB-CD1 4.29Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 2.94Å; L516-H519 HydrophobicContact CB-CB 4.25Å; L516-H519 HydrophobicContact CD1-CB 4.26Å; L516-H519 PolarHBondContact O-ND1 3.02Å; L516-I531 HydrophobicContact CD1-CD1 4.25Å; L516-I531 HydrophobicContact CD1-CG2 3.53Å; L516-L533 HydrophobicContact CD1-CD2 3.74Å; L516-L533 HydrophobicContact CD2-CD2 3.64Å; L516-L533 HydrophobicContact CG-CD2 4.23Å
517	K	66	Low	65.2	Low	165 Å²	165	89.6 Å²	89.6	72%	0.717	46%	0.462	S	S	*	.	S	Bend	trans	-51.5	-57.2	176.1	-70.8	-173.9	178.8	179.9	0	112.8	H501 S502 K515	H501-K517 CarbonylContact C-O 3.54Å; S502-K517 PolarHBondContact N-O 3Å; K515-K517 PolarHBondContact O-N 3.4Å
518	E	71.9	Confident	64	Low	103 Å²	103	93.9 Å²	93.9	48%	0.481	47%	0.468	S	S	.	.	S	Bend	trans	-123.2	134.3	172.7	-61	-155.1	149.9	0	0	110.3	K499 Y500 H501	K499-E518 WeakPolarHBondContact CE-OE1 3.48Å; K499-E518 WeakPolarHBondContact CE-OE2 3.49Å; K499-E518 IonicContact NZ-OE1 3.88Å; K499-E518 PolarHBondContact NZ-OE1 3.32Å; K499-E518 IonicContact NZ-OE2 3.4Å; K499-E518 PolarHBondContact NZ-OE2 3.43Å; Y500-E518 WeakPolarHBondContact O-CA 3.36Å; H501-E518 IonicContact CD2-OE1 2.76Å; H501-E518 PolarHBondContact CD2-OE1 2.97Å
519	H	78.6	Confident	63.3	Low	0 Å²	0	90.8 Å²	90.8	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	163.6	176.3	59.8	-74.5	0	0	0	110.6	Y500 C506 L516 H521 I531 L533	Y500-H519 VanDerWaalsContact CB-CE1 3.5Å; Y500-H519 WeakPolarHBondContact CB-CE1 3.31Å; Y500-H519 PolarHBondContact N-O 3.35Å; Y500-H519 PolarHBondContact O-N 3.24Å; C506-H519 WeakPolarHBondContact CB-NE2 3.32Å; L516-H519 HydrophobicContact CB-CB 4.25Å; L516-H519 HydrophobicContact CD1-CB 4.26Å; L516-H519 PolarHBondContact O-ND1 3.02Å; H519-H521 AromaticContact CD2-CD2 3.82Å; H519-H521 AromaticContact CD2-NE2 3.62Å; H519-H521 AromaticContact NE2-CD2 3.95Å; H519-H521 AromaticContact NE2-NE2 3.67Å; H519-I531 HydrophobicContact CB-CG2 4.27Å; H519-L533 HydrophobicContact CB-CD2 4.42Å
520	Y	76.1	Confident	63.1	Low	44 Å²	44	88.8 Å²	88.8	17%	0.173	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.1	178.3	-54.7	-104.4	0	0	0	110.7	I497 K498 K499 I532 M538	I497-Y520 HydrophobicContact CG2-CD1 4.34Å; K498-Y520 CarbonylContact O-C 3.55Å; K498-Y520 VanDerWaalsContact O-CA 3.3Å; K498-Y520 WeakPolarHBondContact O-CA 3.5Å; K499-Y520 HydrophobicContact CB-CD1 3.63Å; K499-Y520 HydrophobicContact CB-CE1 3.56Å; K499-Y520 HydrophobicContact CD-CE1 3.86Å; K499-Y520 HydrophobicContact CG-CD1 3.89Å; K499-Y520 HydrophobicContact CG-CE1 3.55Å; K499-Y520 HydrophobicContact CG-CE2 4.47Å; K499-Y520 HydrophobicContact CG-CG 4.5Å; Y520-I532 HydrophobicContact CD2-CG2 4.43Å; Y520-I532 PolarHBondContact N-O 3.35Å; Y520-I532 PolarHBondContact O-N 3.01Å; Y520-M538 HydrophobicContact CD1-CG 4.39Å; Y520-M538 HydrophobicContact CD1-SD 3.59Å; Y520-M538 VanDerWaalsContact CD1-SD 3.59Å; Y520-M538 HydrophobicContact CE1-SD 3.5Å; Y520-M538 VanDerWaalsContact CE1-SD 3.5Å; Y520-M538 HydrophobicContact CG-CG 4.48Å; Y520-M538 HydrophobicContact CG-SD 4.17Å
521	H	75.2	Confident	62.9	Low	9 Å²	9	87 Å²	87	4%	0.042	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.7	172.4	-73.1	-64.2	0	0	0	110.9	I497 K498 Y500 F508 C511 H519	I497-H521 CarbonylContact C-O 3.03Å; I497-H521 VanDerWaalsContact CA-O 3.3Å; I497-H521 WeakPolarHBondContact CA-O 3.45Å; K498-H521 PolarHBondContact N-O 2.58Å; K498-H521 PolarHBondContact O-N 2.82Å; Y500-H521 AromaticContact CD2-CD2 3.76Å; Y500-H521 HydrophobicContact CE2-CB 4.11Å; Y500-H521 AromaticContact CE2-CD2 3.68Å; F508-H521 AromaticContact CD2-CE1 3.85Å; F508-H521 AromaticContact CD2-NE2 3.64Å; C511-H521 PolarHBondContact SG-CE1 3.44Å; C511-H521 PolarHBondContact SG-NE2 2.99Å; H519-H521 AromaticContact CD2-CD2 3.82Å; H519-H521 AromaticContact CD2-NE2 3.62Å; H519-H521 AromaticContact NE2-CD2 3.95Å; H519-H521 AromaticContact NE2-NE2 3.67Å
522	C	76.1	Confident	63	Low	30 Å²	30	87 Å²	87	20%	0.203	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.2	167.1	-169.5	0	0	0	0	111.4	S496 I497 H541	S496-C522 CarbonylContact O-C 3.58Å; I497-C522 HydrophobicContact CG1-CB 4.38Å; C522-H541 WeakPolarHBondContact CB-NE2 3.49Å
523	S	62.8	Low	62.7	Low	73 Å²	73	84.3 Å²	84.3	51%	0.51	43%	0.431	S	S	.	.			trans	-104.6	0.4	-177	-41.5	0	0	0	0	113.3	S496	S496-S523 VanDerWaalsContact O-CB 3.29Å; S496-S523 WeakPolarHBondContact O-CB 3.22Å; S496-S523 PolarHBondContact O-N 3.15Å; S496-S523 PolarHBondContact O-OG 3.36Å
524	I	59.3	Low	62.8	Low	79 Å²	79	87.7 Å²	87.7	41%	0.405	43%	0.43	S	S	.	.	S	Bend	trans	-96.9	107.6	-176.7	-70.6	171.2	0	0	0	111
525	F	50.4	Low	62.8	Low	190 Å²	190	88.5 Å²	88.5	83%	0.833	42%	0.423	S	S	*	.	S	Bend	trans	67.2	165.4	169.8	-98.6	-90.5	0	0	0	117.7	F527	F525-F527 PolarHBondContact O-N 3.45Å
526	N	40.9	Very low	63.1	Low	155 Å²	155	86.7 Å²	86.7	83%	0.829	42%	0.417	S	S	*	.	S	Bend	trans	-81.3	30.1	-148.1	-144.2	43.6	0	0	0	116
527	F	40.7	Very low	63.6	Low	166 Å²	166	88.2 Å²	88.2	73%	0.728	42%	0.423	S	S	*	.	S	Bend	trans	-81.1	126.1	166.5	-86.6	-92.1	0	0	0	109	F525 S529	F525-F527 PolarHBondContact O-N 3.45Å; F527-S529 PolarHBondContact O-N 3.15Å
528	L	39.7	Very low	64.1	Low	158 Å²	158	82 Å²	82	83%	0.827	40%	0.398	S	S	*	.			trans	-58.7	115.2	-176.1	-78.8	75.3	0	0	0	111	L530	L528-L530 PolarHBondContact O-N 3.01Å
529	S	51.9	Low	64.4	Low	30 Å²	30	80.4 Å²	80.4	21%	0.21	39%	0.392	C	S	.	.			trans	39.1	59	153	62.5	0	0	0	0	115	F527 I531	F527-S529 PolarHBondContact O-N 3.15Å; S529-I531 PolarHBondContact O-N 3.43Å
530	L	60.3	Low	64.3	Low	84 Å²	84	87.3 Å²	87.3	44%	0.44	42%	0.418	S	S	.	.			trans	-63.8	105.8	171.7	-173.5	69.6	0	0	0	108.4	L528 I532	L528-L530 PolarHBondContact O-N 3.01Å; L530-I532 HydrophobicContact CD2-CD1 4.31Å; L530-I532 HydrophobicContact CD2-CG1 4.25Å; L530-I532 HydrophobicContact CG-CG1 4.23Å; L530-I532 PolarHBondContact O-N 2.97Å
531	I	64.1	Low	64.4	Low	38 Å²	38	86.2 Å²	86.2	20%	0.195	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114	176.2	-58.2	175.1	0	0	0	107.7	V510 C511 L516 H519 S529 L533	V510-I531 HydrophobicContact CB-CD1 3.94Å; V510-I531 HydrophobicContact CG1-CD1 3.54Å; C511-I531 WeakPolarHBondContact SG-CD1 3.42Å; L516-I531 HydrophobicContact CD1-CD1 4.25Å; L516-I531 HydrophobicContact CD1-CG2 3.53Å; H519-I531 HydrophobicContact CB-CG2 4.27Å; S529-I531 PolarHBondContact O-N 3.43Å; I531-L533 HydrophobicContact CG2-CD2 3.82Å; I531-L533 HydrophobicContact CG2-CG 4.09Å
532	I	72.9	Confident	64.6	Low	1 Å²	1	86.6 Å²	86.6	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.7	177	-67.6	168.5	0	0	0	107.7	Y520 L530 E537 M538 H541	Y520-I532 HydrophobicContact CD2-CG2 4.43Å; Y520-I532 PolarHBondContact N-O 3.35Å; Y520-I532 PolarHBondContact O-N 3.01Å; L530-I532 HydrophobicContact CD2-CD1 4.31Å; L530-I532 HydrophobicContact CD2-CG1 4.25Å; L530-I532 HydrophobicContact CG-CG1 4.23Å; L530-I532 PolarHBondContact O-N 2.97Å; I532-E537 HydrophobicContact CG1-CG 4.45Å; I532-E537 HydrophobicContact CG2-CB 4.22Å; I532-E537 HydrophobicContact CG2-CG 4.21Å; I532-M538 HydrophobicContact CG2-CB 3.72Å; I532-M538 HydrophobicContact CG2-CG 4.45Å; I532-H541 HydrophobicContact CD1-CB 3.84Å; I532-H541 VanDerWaalsContact CD1-CD2 3.49Å; I532-H541 WeakPolarHBondContact CD1-CD2 3.42Å
533	L	64.9	Low	64.8	Low	92 Å²	92	91.4 Å²	91.4	48%	0.482	44%	0.436	S	S	.	.			trans	-94	-19.7	-175.7	-66.1	173.6	0	0	0	113.9	L516 H519 I531	L516-L533 HydrophobicContact CD1-CD2 3.74Å; L516-L533 HydrophobicContact CD2-CD2 3.64Å; L516-L533 HydrophobicContact CG-CD2 4.23Å; H519-L533 HydrophobicContact CB-CD2 4.42Å; I531-L533 HydrophobicContact CG2-CD2 3.82Å; I531-L533 HydrophobicContact CG2-CG 4.09Å
534	R	68.1	Low	65.6	Low	163 Å²	163	90.6 Å²	90.6	62%	0.615	42%	0.422	S	S	*	.	S	Bend	trans	-126.9	145	-171.4	-68.5	-170.2	179.3	89.8	-0.3	111.9	E536 E537 M538	R534-E536 VanDerWaalsContact C-N 3.25Å; R534-E536 PolarHBondContact O-N 3.2Å; R534-E537 HydrophobicContact CB-CB 4.3Å; R534-E537 WeakPolarHBondContact O-CB 3.43Å; R534-E537 PolarHBondContact O-N 3.47Å; R534-E537 VanDerWaalsContact O-N 3.15Å; R534-M538 PolarHBondContact O-N 3.04Å
535	R	66.2	Low	66.4	Low	81 Å²	81	87.9 Å²	87.9	31%	0.306	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-33.2	-176.5	-166.3	173	-175.9	165.4	-2.6	111.4	L482 M538 I539	L482-R535 PolarHBondContact O-NH2 3.4Å; R535-M538 WeakPolarHBondContact O-CB 3.39Å; R535-M538 PolarHBondContact O-N 2.85Å; R535-I539 HydrophobicContact CG-CD1 4.46Å; R535-I539 WeakPolarHBondContact O-CD1 3.23Å; R535-I539 VanDerWaalsContact O-CG1 3.26Å; R535-I539 WeakPolarHBondContact O-CG1 3.42Å; R535-I539 PolarHBondContact O-N 2.92Å
536	E	75	Confident	67.8	Low	128 Å²	128	83.6 Å²	83.6	60%	0.598	39%	0.386	S	S	*	.	H	α-helix	trans	-67.6	-39.5	177.2	-57.4	63	-129.2	0	0	110.7	R534 I539 R540	R534-E536 VanDerWaalsContact C-N 3.25Å; R534-E536 PolarHBondContact O-N 3.2Å; E536-I539 PolarHBondContact O-N 3.21Å; E536-R540 WeakPolarHBondContact O-CB 2.84Å; E536-R540 PolarHBondContact O-N 3.43Å
537	E	73.8	Confident	69.6	Low	63 Å²	63	81.8 Å²	81.8	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-71.7	-37.8	176.8	-176.3	133.9	-113.9	0	0	111.8	I532 R534 I539 R540 H541	I532-E537 HydrophobicContact CG1-CG 4.45Å; I532-E537 HydrophobicContact CG2-CB 4.22Å; I532-E537 HydrophobicContact CG2-CG 4.21Å; R534-E537 HydrophobicContact CB-CB 4.3Å; R534-E537 WeakPolarHBondContact O-CB 3.43Å; R534-E537 PolarHBondContact O-N 3.47Å; R534-E537 VanDerWaalsContact O-N 3.15Å; E537-I539 VanDerWaalsContact C-N 3.33Å; E537-I539 PolarHBondContact O-N 3.36Å; E537-R540 WeakPolarHBondContact O-CB 3.3Å; E537-R540 PolarHBondContact O-N 2.97Å; E537-R540 IonicContact OE1-CZ 3.44Å; E537-R540 IonicContact OE1-NE 3.56Å; E537-R540 PolarHBondContact OE1-NE 3.14Å; E537-R540 IonicContact OE1-NH2 3.76Å; E537-R540 PolarHBondContact OE1-NH2 3.42Å; E537-H541 WeakPolarHBondContact O-CB 3.45Å; E537-H541 PolarHBondContact O-N 3.07Å
538	M	77.4	Confident	71.5	Confident	35 Å²	35	75.8 Å²	75.8	17%	0.172	34%	0.343	C	S	.	.	H	α-helix	trans	-57.6	-46.9	169.5	-168.4	-163.7	70.4	0	0	111.1	I497 Y520 I532 R534 R535 H541 A542	I497-M538 HydrophobicContact CD1-CG 4.43Å; I497-M538 HydrophobicContact CG2-CG 4.03Å; I497-M538 HydrophobicContact CG2-SD 4.47Å; Y520-M538 HydrophobicContact CD1-CG 4.39Å; Y520-M538 HydrophobicContact CD1-SD 3.59Å; Y520-M538 VanDerWaalsContact CD1-SD 3.59Å; Y520-M538 HydrophobicContact CE1-SD 3.5Å; Y520-M538 VanDerWaalsContact CE1-SD 3.5Å; Y520-M538 HydrophobicContact CG-CG 4.48Å; Y520-M538 HydrophobicContact CG-SD 4.17Å; I532-M538 HydrophobicContact CG2-CB 3.72Å; I532-M538 HydrophobicContact CG2-CG 4.45Å; R534-M538 PolarHBondContact O-N 3.04Å; R535-M538 WeakPolarHBondContact O-CB 3.39Å; R535-M538 PolarHBondContact O-N 2.85Å; M538-H541 PolarHBondContact O-N 2.82Å; M538-A542 WeakPolarHBondContact O-CB 3.29Å; M538-A542 PolarHBondContact O-N 2.94Å
539	I	78	Confident	73.3	Confident	70 Å²	70	74.4 Å²	74.4	36%	0.359	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-39.4	177.1	-67.5	162.5	0	0	0	111.2	R535 E536 E537 K543	R535-I539 HydrophobicContact CG-CD1 4.46Å; R535-I539 WeakPolarHBondContact O-CD1 3.23Å; R535-I539 VanDerWaalsContact O-CG1 3.26Å; R535-I539 WeakPolarHBondContact O-CG1 3.42Å; R535-I539 PolarHBondContact O-N 2.92Å; E536-I539 PolarHBondContact O-N 3.21Å; E537-I539 VanDerWaalsContact C-N 3.33Å; E537-I539 PolarHBondContact O-N 3.36Å; I539-K543 HydrophobicContact CG2-CD 4Å; I539-K543 WeakPolarHBondContact O-CB 3.32Å; I539-K543 VanDerWaalsContact O-CG 3.26Å; I539-K543 WeakPolarHBondContact O-CG 3.43Å; I539-K543 PolarHBondContact O-N 3.45Å
540	R	76.5	Confident	74.8	Confident	145 Å²	145	77.5 Å²	77.5	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-46.2	175.1	-173.8	-178.6	72.6	80.1	-5.4	111.5	E536 E537 K543 W544	E536-R540 WeakPolarHBondContact O-CB 2.84Å; E536-R540 PolarHBondContact O-N 3.43Å; E537-R540 WeakPolarHBondContact O-CB 3.3Å; E537-R540 PolarHBondContact O-N 2.97Å; E537-R540 IonicContact OE1-CZ 3.44Å; E537-R540 IonicContact OE1-NE 3.56Å; E537-R540 PolarHBondContact OE1-NE 3.14Å; E537-R540 IonicContact OE1-NH2 3.76Å; E537-R540 PolarHBondContact OE1-NH2 3.42Å; R540-K543 PolarHBondContact O-N 3.3Å; R540-W544 PolarHBondContact O-N 2.82Å
541	H	79	Confident	75.9	Confident	20 Å²	20	73.8 Å²	73.8	9%	0.093	33%	0.325	C	S	.	.	H	α-helix	trans	-70.4	-41.5	-179.5	-174.7	69.7	0	0	0	112.2	C522 I532 E537 M538 K543 W544 H545	C522-H541 WeakPolarHBondContact CB-NE2 3.49Å; I532-H541 HydrophobicContact CD1-CB 3.84Å; I532-H541 VanDerWaalsContact CD1-CD2 3.49Å; I532-H541 WeakPolarHBondContact CD1-CD2 3.42Å; E537-H541 WeakPolarHBondContact O-CB 3.45Å; E537-H541 PolarHBondContact O-N 3.07Å; M538-H541 PolarHBondContact O-N 2.82Å; H541-K543 PolarHBondContact O-N 3.37Å; H541-W544 WeakPolarHBondContact O-CB 3.47Å; H541-W544 PolarHBondContact O-N 2.66Å; H541-W544 VanDerWaalsContact O-N 3.13Å; H541-H545 AromaticContact CD2-CD2 3.89Å; H541-H545 AromaticContact CE1-CD2 3.63Å; H541-H545 AromaticContact CE1-NE2 3.34Å; H541-H545 PolarHBondContact CE1-NE2 3.47Å; H541-H545 VanDerWaalsContact CE1-NE2 3.34Å; H541-H545 AromaticContact NE2-CD2 3.49Å; H541-H545 PolarHBondContact NE2-CD2 3.05Å; H541-H545 AromaticContact NE2-NE2 3.26Å; H541-H545 PolarHBondContact NE2-NE2 3.37Å; H541-H545 PolarHBondContact O-N 3.13Å
542	A	77.6	Confident	76.8	Confident	17 Å²	17	75.9 Å²	75.9	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-46.2	171.3	0	0	0	0	0	111.9	L493 I497 M538 W544 H545 R546	L493-A542 HydrophobicContact CD2-CB 4.06Å; L493-A542 WeakPolarHBondContact CD2-O 3.43Å; I497-A542 HydrophobicContact CD1-CB 4.11Å; M538-A542 WeakPolarHBondContact O-CB 3.29Å; M538-A542 PolarHBondContact O-N 2.94Å; A542-W544 PolarHBondContact O-N 3.07Å; A542-H545 PolarHBondContact O-N 2.71Å; A542-R546 PolarHBondContact O-N 3.45Å; A542-R546 VanDerWaalsContact O-N 3.07Å
543	K	80.6	Confident	77.3	Confident	132 Å²	132	79.4 Å²	79.4	57%	0.574	35%	0.351	S	S	*	.	H	α-helix	trans	-61.3	-30.9	174.2	-75.2	173.4	179.5	176.2	0	112.6	I539 R540 H541 K547	I539-K543 HydrophobicContact CG2-CD 4Å; I539-K543 WeakPolarHBondContact O-CB 3.32Å; I539-K543 VanDerWaalsContact O-CG 3.26Å; I539-K543 WeakPolarHBondContact O-CG 3.43Å; I539-K543 PolarHBondContact O-N 3.45Å; R540-K543 PolarHBondContact O-N 3.3Å; H541-K543 PolarHBondContact O-N 3.37Å; K543-K547 WeakPolarHBondContact O-CG 3.23Å; K543-K547 PolarHBondContact O-N 2.92Å
544	W	80	Confident	78.2	Confident	55 Å²	55	78.2 Å²	78.2	21%	0.208	34%	0.341	C	S	.	.	H	α-helix	trans	-69.6	-46.8	174.4	178.9	106.4	0	0	0	112	R540 H541 A542 R546 K547 R548 S560 D563	R540-W544 PolarHBondContact O-N 2.82Å; H541-W544 WeakPolarHBondContact O-CB 3.47Å; H541-W544 PolarHBondContact O-N 2.66Å; H541-W544 VanDerWaalsContact O-N 3.13Å; A542-W544 PolarHBondContact O-N 3.07Å; W544-R546 PolarHBondContact O-N 3.46Å; W544-K547 PolarHBondContact O-N 3.46Å; W544-R548 PolarHBondContact O-N 2.99Å; W544-S560 PolarHBondContact NE1-OG 3.49Å; W544-D563 WeakPolarHBondContact CZ2-OD2 3.42Å
545	H	76.3	Confident	79.1	Confident	22 Å²	22	71.7 Å²	71.7	10%	0.102	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-48.5	177.6	-89.5	-90.7	0	0	0	111.2	L493 H541 A542 K547 R548 E549	L493-H545 HydrophobicContact CD1-CB 4.04Å; L493-H545 HydrophobicContact CD2-CB 4.23Å; H541-H545 AromaticContact CD2-CD2 3.89Å; H541-H545 AromaticContact CE1-CD2 3.63Å; H541-H545 AromaticContact CE1-NE2 3.34Å; H541-H545 PolarHBondContact CE1-NE2 3.47Å; H541-H545 VanDerWaalsContact CE1-NE2 3.34Å; H541-H545 AromaticContact NE2-CD2 3.49Å; H541-H545 PolarHBondContact NE2-CD2 3.05Å; H541-H545 AromaticContact NE2-NE2 3.26Å; H541-H545 PolarHBondContact NE2-NE2 3.37Å; H541-H545 PolarHBondContact O-N 3.13Å; A542-H545 PolarHBondContact O-N 2.71Å; H545-K547 VanDerWaalsContact C-N 3.35Å; H545-K547 PolarHBondContact O-N 3.34Å; H545-R548 PolarHBondContact O-N 2.85Å; H545-E549 WeakPolarHBondContact O-CB 3.21Å; H545-E549 PolarHBondContact O-N 3.02Å
546	R	79.5	Confident	80.4	Confident	100 Å²	100	67.9 Å²	67.9	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-54.3	-48.3	175.2	-177.9	-180	-70.2	163.6	-4.4	112	L493 A542 W544 R548 E549 E550	L493-R546 HydrophobicContact CD2-CB 4.25Å; A542-R546 PolarHBondContact O-N 3.45Å; A542-R546 VanDerWaalsContact O-N 3.07Å; W544-R546 PolarHBondContact O-N 3.46Å; R546-R548 VanDerWaalsContact C-N 3.3Å; R546-R548 PolarHBondContact O-N 3.02Å; R546-E549 PolarHBondContact O-N 3.19Å; R546-E550 HydrophobicContact CG-CG 4.42Å; R546-E550 WeakPolarHBondContact CG-OE1 3.41Å; R546-E550 WeakPolarHBondContact O-CB 3.38Å; R546-E550 VanDerWaalsContact O-CG 3.29Å; R546-E550 WeakPolarHBondContact O-CG 3.27Å; R546-E550 PolarHBondContact O-N 2.91Å
547	K	79.8	Confident	81.1	Confident	117 Å²	117	63.6 Å²	63.6	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-30.5	177.9	-78.1	-175.5	175.6	-173.6	0	113.6	K543 W544 H545 S551	K543-K547 WeakPolarHBondContact O-CG 3.23Å; K543-K547 PolarHBondContact O-N 2.92Å; W544-K547 PolarHBondContact O-N 3.46Å; H545-K547 VanDerWaalsContact C-N 3.35Å; H545-K547 PolarHBondContact O-N 3.34Å; K547-S551 PolarHBondContact O-N 3.42Å; K547-S551 PolarHBondContact O-OG 2.84Å; K547-S551 VanDerWaalsContact O-OG 3.13Å
548	R	79.6	Confident	81.8	Confident	41 Å²	41	61.8 Å²	61.8	16%	0.155	28%	0.281	C	S	.	.	H	α-helix	trans	-72.6	-41.4	175.4	-163.5	173.5	-169.3	119.2	9.3	110.9	W544 H545 R546 S551 M552 M557 R558 Y559 D563	W544-R548 PolarHBondContact O-N 2.99Å; H545-R548 PolarHBondContact O-N 2.85Å; R546-R548 VanDerWaalsContact C-N 3.3Å; R546-R548 PolarHBondContact O-N 3.02Å; R548-S551 WeakPolarHBondContact CA-OG 3.4Å; R548-S551 PolarHBondContact O-N 3.24Å; R548-S551 PolarHBondContact O-OG 3.36Å; R548-M552 VanDerWaalsContact O-CG 3.28Å; R548-M552 WeakPolarHBondContact O-CG 3.47Å; R548-M552 PolarHBondContact O-N 3.49Å; R548-M557 HydrophobicContact CG-SD 4.49Å; R548-M557 PolarHBondContact NE-SD 2.78Å; R548-M557 VanDerWaalsContact NE-SD 3.39Å; R548-M557 PolarHBondContact NH2-SD 3.04Å; R548-R558 PolarHBondContact NE-O 3.26Å; R548-R558 PolarHBondContact NH1-O 3.04Å; R548-R558 VanDerWaalsContact NH1-O 3.12Å; R548-R558 PolarHBondContact NH2-O 3.09Å; R548-Y559 VanDerWaalsContact NH2-CE1 3.33Å; R548-D563 IonicContact NH1-OD2 2.71Å; R548-D563 PolarHBondContact NH1-OD2 3.24Å
549	E	78.5	Confident	82.4	Confident	128 Å²	128	61.9 Å²	61.9	60%	0.598	28%	0.279	S	S	*	.	H	α-helix	trans	-68.4	-40.4	177.3	-167.3	165.8	-127.1	0	0	112.6	H545 R546 S551 M552 Q553	H545-E549 WeakPolarHBondContact O-CB 3.21Å; H545-E549 PolarHBondContact O-N 3.02Å; R546-E549 PolarHBondContact O-N 3.19Å; E549-S551 PolarHBondContact O-N 2.97Å; E549-M552 WeakPolarHBondContact O-CB 3.31Å; E549-M552 PolarHBondContact O-N 3.05Å; E549-M552 VanDerWaalsContact O-N 3.15Å; E549-Q553 PolarHBondContact O-N 3.26Å
550	E	82.1	Confident	82.7	Confident	95 Å²	95	59.1 Å²	59.1	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-55.6	-47.1	169.8	-76.2	168.1	-175.3	0	0	111.5	R546 Q553 Y554	R546-E550 HydrophobicContact CG-CG 4.42Å; R546-E550 WeakPolarHBondContact CG-OE1 3.41Å; R546-E550 WeakPolarHBondContact O-CB 3.38Å; R546-E550 VanDerWaalsContact O-CG 3.29Å; R546-E550 WeakPolarHBondContact O-CG 3.27Å; R546-E550 PolarHBondContact O-N 2.91Å; E550-Q553 PolarHBondContact O-N 3.26Å; E550-Y554 WeakPolarHBondContact O-CD2 3.42Å
551	S	83.7	Confident	83	Confident	6 Å²	6	55 Å²	55	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-38.5	174.6	47.3	0	0	0	0	113.1	K547 R548 E549 Q553 Y554 G555 F556 R558	K547-S551 PolarHBondContact O-N 3.42Å; K547-S551 PolarHBondContact O-OG 2.84Å; K547-S551 VanDerWaalsContact O-OG 3.13Å; R548-S551 WeakPolarHBondContact CA-OG 3.4Å; R548-S551 PolarHBondContact O-N 3.24Å; R548-S551 PolarHBondContact O-OG 3.36Å; E549-S551 PolarHBondContact O-N 2.97Å; S551-Q553 VanDerWaalsContact C-N 3.27Å; S551-Q553 PolarHBondContact O-N 2.95Å; S551-Y554 PolarHBondContact O-N 2.76Å; S551-G555 PolarHBondContact O-N 3.19Å; S551-F556 CarbonylContact C-O 3.53Å; S551-F556 WeakPolarHBondContact CB-O 3.15Å; S551-F556 PolarHBondContact O-N 3.37Å; S551-F556 VanDerWaalsContact O-O 3.14Å; S551-F556 PolarHBondContact OG-O 2.73Å; S551-R558 WeakPolarHBondContact OG-CB 3.47Å
552	M	84.3	Confident	82.9	Confident	82 Å²	82	60.1 Å²	60.1	40%	0.404	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-38.1	176.8	-76.7	-70.8	-73	0	0	111.5	R548 E549 Y554 G555 F556 M557 M582	R548-M552 VanDerWaalsContact O-CG 3.28Å; R548-M552 WeakPolarHBondContact O-CG 3.47Å; R548-M552 PolarHBondContact O-N 3.49Å; E549-M552 WeakPolarHBondContact O-CB 3.31Å; E549-M552 PolarHBondContact O-N 3.05Å; E549-M552 VanDerWaalsContact O-N 3.15Å; M552-Y554 PolarHBondContact O-N 2.91Å; M552-G555 PolarHBondContact O-N 3.42Å; M552-F556 WeakPolarHBondContact CA-O 3.29Å; M552-F556 PolarHBondContact N-O 2.62Å; M552-F556 VanDerWaalsContact N-O 3.14Å; M552-M557 HydrophobicContact CE-CE 4.16Å; M552-M557 HydrophobicContact SD-CE 3.51Å; M552-M557 VanDerWaalsContact SD-CE 3.51Å; M552-M557 HydrophobicContact SD-SD 3.98Å; M552-M582 HydrophobicContact CE-CE 4.16Å; M552-M582 HydrophobicContact CE-SD 3.98Å; M552-M582 HydrophobicContact SD-CE 4.22Å; M552-M582 HydrophobicContact SD-SD 3.37Å
553	Q	82.8	Confident	83.1	Confident	76 Å²	76	60.4 Å²	60.4	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-29.7	177	-161.8	174.1	12	0	0	112.5	M328 K329 E549 E550 S551 G555	M328-Q553 PolarHBondContact O-NE2 2.81Å; K329-Q553 WeakPolarHBondContact CE-O 3.37Å; K329-Q553 PolarHBondContact NZ-O 3.33Å; E549-Q553 PolarHBondContact O-N 3.26Å; E550-Q553 PolarHBondContact O-N 3.26Å; S551-Q553 VanDerWaalsContact C-N 3.27Å; S551-Q553 PolarHBondContact O-N 2.95Å; Q553-G555 VanDerWaalsContact C-N 3.33Å
554	Y	83.3	Confident	83.2	Confident	67 Å²	67	58.5 Å²	58.5	26%	0.263	29%	0.29	S	S	.	.	H	α-helix	trans	-80.7	-7.2	171.3	-66.9	-68	0	0	0	114.4	E550 S551 M552 Q597 A600	E550-Y554 WeakPolarHBondContact O-CD2 3.42Å; S551-Y554 PolarHBondContact O-N 2.76Å; M552-Y554 PolarHBondContact O-N 2.91Å; Y554-Q597 HydrophobicContact CE1-CG 4.36Å; Y554-A600 HydrophobicContact CD1-CB 4.2Å; Y554-A600 HydrophobicContact CG-CB 4.48Å; Y554-A600 WeakPolarHBondContact O-CB 3.48Å
555	G	88	Confident	83.5	Confident	26 Å²	26	55.9 Å²	55.9	27%	0.268	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	29.8	-175.6	0	0	0	0	0	113.6	S551 M552 Q553 M582	S551-G555 PolarHBondContact O-N 3.19Å; M552-G555 PolarHBondContact O-N 3.42Å; Q553-G555 VanDerWaalsContact C-N 3.33Å; G555-M582 PolarHBondContact O-N 2.7Å
556	F	92	Very high	83.8	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.6	-177.5	-82.9	-92	0	0	0	112.6	S551 M552 H580 C581 Y590 V596 H599 A600	S551-F556 CarbonylContact C-O 3.53Å; S551-F556 WeakPolarHBondContact CB-O 3.15Å; S551-F556 PolarHBondContact O-N 3.37Å; S551-F556 VanDerWaalsContact O-O 3.14Å; S551-F556 PolarHBondContact OG-O 2.73Å; M552-F556 WeakPolarHBondContact CA-O 3.29Å; M552-F556 PolarHBondContact N-O 2.62Å; M552-F556 VanDerWaalsContact N-O 3.14Å; F556-H580 CarbonylContact C-O 3.54Å; F556-H580 VanDerWaalsContact CA-O 3.25Å; F556-H580 WeakPolarHBondContact CA-O 3.48Å; F556-H580 VanDerWaalsContact CD1-C 3.41Å; F556-H580 VanDerWaalsContact CD1-O 3.28Å; F556-H580 WeakPolarHBondContact CD1-O 3.31Å; F556-C581 HydrophobicContact CD1-CB 4.31Å; F556-C581 HydrophobicContact CE1-CB 3.76Å; F556-C581 HydrophobicContact CZ-CB 3.97Å; F556-Y590 AromaticContact CE1-CD2 3.88Å; F556-Y590 HydrophobicContact CE1-CD2 3.88Å; F556-Y590 HydrophobicContact CE1-CE2 4.36Å; F556-Y590 HydrophobicContact CZ-CD2 4.14Å; F556-Y590 HydrophobicContact CZ-CE2 4.28Å; F556-V596 HydrophobicContact CB-CG1 4.25Å; F556-V596 HydrophobicContact CD1-CG1 4.17Å; F556-V596 HydrophobicContact CD1-CG2 4.22Å; F556-V596 HydrophobicContact CD2-CG1 3.66Å; F556-V596 HydrophobicContact CE1-CG1 4.47Å; F556-V596 HydrophobicContact CE1-CG2 4.24Å; F556-V596 HydrophobicContact CE2-CG1 3.96Å; F556-V596 WeakPolarHBondContact CE2-O 3.41Å; F556-V596 HydrophobicContact CG-CG1 3.76Å; F556-V596 HydrophobicContact CZ-CG1 4.35Å; F556-H599 HydrophobicContact CE2-CB 4.39Å; F556-H599 AromaticContact CE2-CD2 3.99Å; F556-H599 HydrophobicContact CZ-CB 3.91Å; F556-H599 AromaticContact CZ-CD2 3.51Å; F556-H599 AromaticContact CZ-CG 3.87Å; F556-A600 HydrophobicContact CE2-CB 4.11Å
557	M	89.7	Confident	83.8	Confident	39 Å²	39	58.3 Å²	58.3	19%	0.192	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.1	169.3	-171.4	64.1	71.2	0	0	109.5	R548 M552 Y559 Y579 H580 M582	R548-M557 HydrophobicContact CG-SD 4.49Å; R548-M557 PolarHBondContact NE-SD 2.78Å; R548-M557 VanDerWaalsContact NE-SD 3.39Å; R548-M557 PolarHBondContact NH2-SD 3.04Å; M552-M557 HydrophobicContact CE-CE 4.16Å; M552-M557 HydrophobicContact SD-CE 3.51Å; M552-M557 VanDerWaalsContact SD-CE 3.51Å; M552-M557 HydrophobicContact SD-SD 3.98Å; M557-Y559 HydrophobicContact CB-CE2 3.85Å; M557-Y559 HydrophobicContact CG-CD2 4.08Å; M557-Y559 HydrophobicContact CG-CE1 4.45Å; M557-Y559 HydrophobicContact CG-CE2 3.26Å; M557-Y579 WeakPolarHBondContact O-CA 3.49Å; M557-H580 PolarHBondContact N-O 3.47Å; M557-H580 PolarHBondContact O-N 3.48Å; M557-M582 HydrophobicContact CB-CG 4.14Å; M557-M582 HydrophobicContact CB-SD 4.03Å; M557-M582 HydrophobicContact CE-CE 4.01Å; M557-M582 HydrophobicContact CE-SD 4.04Å
558	R	89.5	Confident	83.6	Confident	25 Å²	25	61.2 Å²	61.2	9%	0.094	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.6	176	180	-176.3	-174	-77.4	-10.3	111.2	R548 S551 S560 H578 Y579	R548-R558 PolarHBondContact NE-O 3.26Å; R548-R558 PolarHBondContact NH1-O 3.04Å; R548-R558 VanDerWaalsContact NH1-O 3.12Å; R548-R558 PolarHBondContact NH2-O 3.09Å; S551-R558 WeakPolarHBondContact OG-CB 3.47Å; R558-S560 PolarHBondContact NH1-OG 2.13Å; R558-H578 WeakPolarHBondContact CA-O 3.5Å; R558-Y579 HydrophobicContact CB-CD1 3.74Å; R558-Y579 HydrophobicContact CB-CE1 3.72Å; R558-Y579 HydrophobicContact CG-CD1 3.94Å; R558-Y579 HydrophobicContact CG-CE1 3.53Å; R558-Y579 PolarHBondContact NE-OH 2.72Å
559	Y	89.2	Confident	83.8	Confident	36 Å²	36	64.3 Å²	64.3	14%	0.141	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.1	170.3	-63.8	-94.6	0	0	0	110.2	R548 M557 D563 D564 C565 T577 H578 H580	R548-Y559 VanDerWaalsContact NH2-CE1 3.33Å; M557-Y559 HydrophobicContact CB-CE2 3.85Å; M557-Y559 HydrophobicContact CG-CD2 4.08Å; M557-Y559 HydrophobicContact CG-CE1 4.45Å; M557-Y559 HydrophobicContact CG-CE2 3.26Å; Y559-D563 WeakPolarHBondContact CA-OD2 3.47Å; Y559-D563 HydrophobicContact CD1-CB 3.93Å; Y559-D564 WeakPolarHBondContact CE1-O 3.46Å; Y559-C565 HydrophobicContact CD1-CB 3.67Å; Y559-C565 HydrophobicContact CD2-CB 3.72Å; Y559-C565 VanDerWaalsContact CE1-CA 3.41Å; Y559-C565 HydrophobicContact CE1-CB 3.72Å; Y559-C565 HydrophobicContact CE2-CB 3.74Å; Y559-C565 HydrophobicContact CG-CB 3.67Å; Y559-T577 VanDerWaalsContact O-CA 3.29Å; Y559-T577 WeakPolarHBondContact O-CA 3.33Å; Y559-H578 PolarHBondContact N-O 3.3Å; Y559-H578 PolarHBondContact O-N 2.81Å; Y559-H580 AromaticContact CD2-CD2 3.67Å; Y559-H580 AromaticContact CE2-CD2 3.61Å
560	S	84.2	Confident	84.3	Confident	12 Å²	12	58.8 Å²	58.8	8%	0.084	33%	0.327	C	S	.	.			trans	-108.1	169.1	177.3	-49.8	0	0	0	0	110.2	W544 R558 C562 D563	W544-S560 PolarHBondContact NE1-OG 3.49Å; R558-S560 PolarHBondContact NH1-OG 2.13Å; S560-C562 PolarHBondContact O-N 3.48Å; S560-C562 VanDerWaalsContact O-N 3.12Å; S560-D563 WeakPolarHBondContact CB-OD2 3.48Å; S560-D563 VanDerWaalsContact N-CG 3.32Å; S560-D563 PolarHBondContact N-OD2 3.05Å; S560-D563 PolarHBondContact O-N 2.55Å; S560-D563 PolarHBondContact OG-OD2 3.44Å
561	P	84.2	Confident	84.6	Confident	59 Å²	59	58 Å²	58	38%	0.383	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.9	-174.5	-20.8	33.1	0	0	0	113.3	G574 T577	P561-G574 CarbonylContact O-C 3.57Å; P561-G574 VanDerWaalsContact O-C 3.28Å; P561-G574 VanDerWaalsContact O-CA 3.32Å; P561-G574 WeakPolarHBondContact O-CA 3.41Å; P561-T577 HydrophobicContact CG-CG2 4.27Å
562	C	76.9	Confident	84.7	Confident	128 Å²	128	59.7 Å²	59.7	87%	0.865	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.1	177.4	-45.4	0	0	0	0	113.8	S560	S560-C562 PolarHBondContact O-N 3.48Å; S560-C562 VanDerWaalsContact O-N 3.12Å
563	D	80.8	Confident	84.9	Confident	23 Å²	23	58.2 Å²	58.2	12%	0.123	33%	0.332	C	S	.	.	S	Bend	trans	-96.8	127.1	-178.9	-48.3	-12.2	0	0	0	109	W544 R548 Y559 S560	W544-D563 WeakPolarHBondContact CZ2-OD2 3.42Å; R548-D563 IonicContact NH1-OD2 2.71Å; R548-D563 PolarHBondContact NH1-OD2 3.24Å; Y559-D563 WeakPolarHBondContact CA-OD2 3.47Å; Y559-D563 HydrophobicContact CD1-CB 3.93Å; S560-D563 WeakPolarHBondContact CB-OD2 3.48Å; S560-D563 VanDerWaalsContact N-CG 3.32Å; S560-D563 PolarHBondContact N-OD2 3.05Å; S560-D563 PolarHBondContact O-N 2.55Å; S560-D563 PolarHBondContact OG-OD2 3.44Å
564	D	81.8	Confident	84.9	Confident	91 Å²	91	57.2 Å²	57.2	49%	0.487	34%	0.341	S	S	.	.			trans	-72.7	131.3	163.8	-177.4	14.7	0	0	0	109.8	Y559 T566 N573	Y559-D564 WeakPolarHBondContact CE1-O 3.46Å; D564-T566 PolarHBondContact OD1-N 2.92Å; D564-N573 PolarHBondContact OD1-ND2 3.14Å; D564-N573 PolarHBondContact OD1-OD1 2.66Å
565	C	88.1	Confident	84.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.365	C	S	.	.			trans	-93.3	-2.9	174.1	71	0	0	0	0	114.8	Y559 I567 C570 N573 H578 H580	Y559-C565 HydrophobicContact CD1-CB 3.67Å; Y559-C565 HydrophobicContact CD2-CB 3.72Å; Y559-C565 VanDerWaalsContact CE1-CA 3.41Å; Y559-C565 HydrophobicContact CE1-CB 3.72Å; Y559-C565 HydrophobicContact CE2-CB 3.74Å; Y559-C565 HydrophobicContact CG-CB 3.67Å; C565-I567 PolarHBondContact O-N 3.44Å; C565-C570 VanDerWaalsContact SG-CB 3.52Å; C565-C570 VanDerWaalsContact SG-SG 3.66Å; C565-N573 PolarHBondContact N-OD1 2.83Å; C565-N573 PolarHBondContact SG-OD1 3.49Å; C565-H578 WeakPolarHBondContact CB-NE2 3.2Å; C565-H578 PolarHBondContact SG-NE2 2.82Å; C565-H578 VanDerWaalsContact SG-NE2 3.42Å; C565-H580 PolarHBondContact SG-NE2 3.42Å; C565-H580 VanDerWaalsContact SG-NE2 3.43Å
566	T	81.2	Confident	85	Confident	108 Å²	108	65.9 Å²	65.9	66%	0.663	37%	0.369	S	S	*	.			trans	55.3	-5.6	179.9	68.5	0	0	0	0	116.8	D564 I568	D564-T566 PolarHBondContact OD1-N 2.92Å; T566-I568 PolarHBondContact O-N 2.9Å
567	I	80.1	Confident	84.9	Confident	65 Å²	65	68.2 Å²	68.2	33%	0.333	38%	0.383	S	S	.	.			trans	-80.5	103.1	174.4	-66.4	163.6	0	0	0	108.5	C565 S569 C570 H580	C565-I567 PolarHBondContact O-N 3.44Å; I567-S569 WeakPolarHBondContact CG2-OG 3.49Å; I567-S569 PolarHBondContact O-N 2.87Å; I567-S569 VanDerWaalsContact O-N 3.14Å; I567-C570 HydrophobicContact CB-CB 4.29Å; I567-C570 HydrophobicContact CG2-CB 4.22Å; I567-C570 WeakPolarHBondContact O-CB 3.46Å; I567-C570 PolarHBondContact O-N 2.9Å; I567-H580 HydrophobicContact CD1-CB 4.44Å; I567-H580 WeakPolarHBondContact CD1-ND1 3.41Å
568	I	76.1	Confident	85.1	Confident	178 Å²	178	66.4 Å²	66.4	91%	0.913	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.1	-176.4	-60.7	169.8	0	0	0	112.3	T566 C570	T566-I568 PolarHBondContact O-N 2.9Å; I568-C570 VanDerWaalsContact C-N 3.3Å; I568-C570 PolarHBondContact O-N 3.04Å
569	S	82.8	Confident	85.3	Confident	106 Å²	106	66.3 Å²	66.3	74%	0.741	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	4.8	178.8	52.3	0	0	0	0	114.9	I567 P571	I567-S569 WeakPolarHBondContact CG2-OG 3.49Å; I567-S569 PolarHBondContact O-N 2.87Å; I567-S569 VanDerWaalsContact O-N 3.14Å; S569-P571 VanDerWaalsContact O-CD 3.28Å; S569-P571 WeakPolarHBondContact O-CD 3.15Å
570	C	89.2	Confident	85.4	Confident	12 Å²	12	65.2 Å²	65.2	8%	0.081	37%	0.37	C	S	.	.			trans	-80.2	113.3	-178	-176.5	0	0	0	0	112.3	C565 I567 I568 H572 N573 H578 H580	C565-C570 VanDerWaalsContact SG-CB 3.52Å; C565-C570 VanDerWaalsContact SG-SG 3.66Å; I567-C570 HydrophobicContact CB-CB 4.29Å; I567-C570 HydrophobicContact CG2-CB 4.22Å; I567-C570 WeakPolarHBondContact O-CB 3.46Å; I567-C570 PolarHBondContact O-N 2.9Å; I568-C570 VanDerWaalsContact C-N 3.3Å; I568-C570 PolarHBondContact O-N 3.04Å; C570-H572 PolarHBondContact O-N 3.44Å; C570-N573 HydrophobicContact CB-CB 4.21Å; C570-N573 PolarHBondContact O-N 3.36Å; C570-H578 PolarHBondContact SG-NE2 3.13Å; C570-H578 VanDerWaalsContact SG-NE2 3.44Å; C570-H580 VanDerWaalsContact SG-CE1 3.52Å; C570-H580 PolarHBondContact SG-NE2 2.89Å
571	P	87.8	Confident	85.9	Confident	79 Å²	79	65.6 Å²	65.6	51%	0.513	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-0	-179.9	31.9	-37.2	0	0	0	114.1	S569	S569-P571 VanDerWaalsContact O-CD 3.28Å; S569-P571 WeakPolarHBondContact O-CD 3.15Å
572	H	87.3	Confident	86.2	Confident	42 Å²	42	67.6 Å²	67.6	19%	0.194	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	1.9	-173.8	-57.2	-25.3	0	0	0	113.4	C570 G574 R575 Q576 H578 V591	C570-H572 PolarHBondContact O-N 3.44Å; H572-G574 PolarHBondContact O-N 3.42Å; H572-R575 PolarHBondContact O-N 3.43Å; H572-Q576 HydrophobicContact CB-CG 3.94Å; H572-Q576 PolarHBondContact CE1-NE2 2.65Å; H572-Q576 PolarHBondContact ND1-NE2 2.93Å; H572-Q576 VanDerWaalsContact ND1-NE2 3.14Å; H572-Q576 PolarHBondContact O-N 2.91Å; H572-H578 HydrophobicContact CB-CB 3.83Å; H572-H578 PolarHBondContact O-ND1 3.21Å; H572-V591 VanDerWaalsContact CD2-CG2 3.44Å; H572-V591 WeakPolarHBondContact CD2-CG2 3.28Å; H572-V591 VanDerWaalsContact NE2-CG2 3.34Å; H572-V591 WeakPolarHBondContact NE2-CG2 3.49Å
573	N	87.8	Confident	86.6	Confident	51 Å²	51	66.2 Å²	66.2	27%	0.273	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.8	178.4	-160.2	23.6	0	0	0	111.1	D564 C565 C570 R575	D564-N573 PolarHBondContact OD1-ND2 3.14Å; D564-N573 PolarHBondContact OD1-OD1 2.66Å; C565-N573 PolarHBondContact N-OD1 2.83Å; C565-N573 PolarHBondContact SG-OD1 3.49Å; C570-N573 HydrophobicContact CB-CB 4.21Å; C570-N573 PolarHBondContact O-N 3.36Å; N573-R575 PolarHBondContact O-N 2.89Å
574	G	82.6	Confident	86.6	Confident	54 Å²	54	69.2 Å²	69.2	56%	0.557	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	8.1	-178.8	0	0	0	0	0	116.5	P561 H572	P561-G574 CarbonylContact O-C 3.57Å; P561-G574 VanDerWaalsContact O-C 3.28Å; P561-G574 VanDerWaalsContact O-CA 3.32Å; P561-G574 WeakPolarHBondContact O-CA 3.41Å; H572-G574 PolarHBondContact O-N 3.42Å
575	R	84.4	Confident	86.5	Confident	200 Å²	200	72.7 Å²	72.7	76%	0.755	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-48.3	-172.2	-72.2	176.1	177.1	-176.4	-3.4	113.6	H572 N573	H572-R575 PolarHBondContact O-N 3.43Å; N573-R575 PolarHBondContact O-N 2.89Å
576	Q	89.5	Confident	86.6	Confident	75 Å²	75	73.4 Å²	73.4	35%	0.35	41%	0.405	S	S	.	.	S	Bend	trans	-150.6	164	-175.3	62.6	-178.3	-11.1	0	0	112.6	H572 H578 V591	H572-Q576 HydrophobicContact CB-CG 3.94Å; H572-Q576 PolarHBondContact CE1-NE2 2.65Å; H572-Q576 PolarHBondContact ND1-NE2 2.93Å; H572-Q576 VanDerWaalsContact ND1-NE2 3.14Å; H572-Q576 PolarHBondContact O-N 2.91Å; Q576-H578 PolarHBondContact O-N 3.14Å; Q576-H578 PolarHBondContact O-ND1 2.69Å; Q576-V591 HydrophobicContact CG-CG1 4.47Å; Q576-V591 VanDerWaalsContact NE2-CG2 3.33Å
577	T	89.7	Confident	86.9	Confident	50 Å²	50	75.6 Å²	75.6	31%	0.307	41%	0.413	S	S	.	.			trans	-63.6	124.2	173.2	56.6	0	0	0	0	110	Y559 P561	Y559-T577 VanDerWaalsContact O-CA 3.29Å; Y559-T577 WeakPolarHBondContact O-CA 3.33Å; P561-T577 HydrophobicContact CG-CG2 4.27Å
578	H	93.4	Very high	87.4	Confident	0 Å²	0	78 Å²	78	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.5	-176.6	64.9	-86.1	0	0	0	111.7	R558 Y559 C565 C570 H572 Q576 H580 V589 Y590	R558-H578 WeakPolarHBondContact CA-O 3.5Å; Y559-H578 PolarHBondContact N-O 3.3Å; Y559-H578 PolarHBondContact O-N 2.81Å; C565-H578 WeakPolarHBondContact CB-NE2 3.2Å; C565-H578 PolarHBondContact SG-NE2 2.82Å; C565-H578 VanDerWaalsContact SG-NE2 3.42Å; C570-H578 PolarHBondContact SG-NE2 3.13Å; C570-H578 VanDerWaalsContact SG-NE2 3.44Å; H572-H578 HydrophobicContact CB-CB 3.83Å; H572-H578 PolarHBondContact O-ND1 3.21Å; Q576-H578 PolarHBondContact O-N 3.14Å; Q576-H578 PolarHBondContact O-ND1 2.69Å; H578-H580 AromaticContact CD2-CD2 3.55Å; H578-H580 AromaticContact CD2-NE2 3.26Å; H578-H580 PolarHBondContact CD2-NE2 2.67Å; H578-H580 VanDerWaalsContact CD2-NE2 3.26Å; H578-H580 AromaticContact NE2-CD2 3.67Å; H578-H580 AromaticContact NE2-NE2 3.17Å; H578-H580 PolarHBondContact NE2-NE2 3.29Å; H578-H580 VanDerWaalsContact NE2-NE2 3.17Å; H578-V589 HydrophobicContact CB-CG1 4.25Å; H578-Y590 CarbonylContact C-O 3.56Å; H578-Y590 WeakPolarHBondContact CA-O 3.43Å
579	Y	94.1	Very high	88.2	Confident	24 Å²	24	71.4 Å²	71.4	9%	0.094	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.4	-168.7	-60.3	-98.7	0	0	0	109.8	M557 R558 V589 Y590 T593 V596	M557-Y579 WeakPolarHBondContact O-CA 3.49Å; R558-Y579 HydrophobicContact CB-CD1 3.74Å; R558-Y579 HydrophobicContact CB-CE1 3.72Å; R558-Y579 HydrophobicContact CG-CD1 3.94Å; R558-Y579 HydrophobicContact CG-CE1 3.53Å; R558-Y579 PolarHBondContact NE-OH 2.72Å; Y579-V589 CarbonylContact O-C 3.56Å; Y579-V589 WeakPolarHBondContact O-CA 3.48Å; Y579-Y590 PolarHBondContact N-O 2.67Å; Y579-Y590 PolarHBondContact O-N 3.12Å; Y579-T593 HydrophobicContact CE2-CG2 4.4Å; Y579-V596 VanDerWaalsContact CB-CG2 3.42Å; Y579-V596 HydrophobicContact CD1-CG2 4.07Å; Y579-V596 HydrophobicContact CD2-CG2 3.88Å; Y579-V596 HydrophobicContact CG-CG2 3.55Å
580	H	92.6	Very high	88.7	Confident	13 Å²	13	68.6 Å²	68.6	6%	0.06	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.4	174.3	-71.7	-83.8	0	0	0	110.6	F556 M557 Y559 C565 I567 C570 H578 V589	F556-H580 CarbonylContact C-O 3.54Å; F556-H580 VanDerWaalsContact CA-O 3.25Å; F556-H580 WeakPolarHBondContact CA-O 3.48Å; F556-H580 VanDerWaalsContact CD1-C 3.41Å; F556-H580 VanDerWaalsContact CD1-O 3.28Å; F556-H580 WeakPolarHBondContact CD1-O 3.31Å; M557-H580 PolarHBondContact N-O 3.47Å; M557-H580 PolarHBondContact O-N 3.48Å; Y559-H580 AromaticContact CD2-CD2 3.67Å; Y559-H580 AromaticContact CE2-CD2 3.61Å; C565-H580 PolarHBondContact SG-NE2 3.42Å; C565-H580 VanDerWaalsContact SG-NE2 3.43Å; I567-H580 HydrophobicContact CD1-CB 4.44Å; I567-H580 WeakPolarHBondContact CD1-ND1 3.41Å; C570-H580 VanDerWaalsContact SG-CE1 3.52Å; C570-H580 PolarHBondContact SG-NE2 2.89Å; H578-H580 AromaticContact CD2-CD2 3.55Å; H578-H580 AromaticContact CD2-NE2 3.26Å; H578-H580 PolarHBondContact CD2-NE2 2.67Å; H578-H580 VanDerWaalsContact CD2-NE2 3.26Å; H578-H580 AromaticContact NE2-CD2 3.67Å; H578-H580 AromaticContact NE2-NE2 3.17Å; H578-H580 PolarHBondContact NE2-NE2 3.29Å; H578-H580 VanDerWaalsContact NE2-NE2 3.17Å; H580-V589 WeakPolarHBondContact ND1-CG2 3.35Å
581	C	94.1	Very high	88.8	Confident	19 Å²	19	70.6 Å²	70.6	13%	0.128	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.8	169.2	-162.5	0	0	0	0	110.4	F556 K588	F556-C581 HydrophobicContact CD1-CB 4.31Å; F556-C581 HydrophobicContact CE1-CB 3.76Å; F556-C581 HydrophobicContact CZ-CB 3.97Å; C581-K588 PolarHBondContact N-O 3.44Å
582	M	90.7	Very high	89	Confident	101 Å²	101	69 Å²	69	50%	0.498	37%	0.365	S	S	.	.			trans	-101.1	6.6	177.8	-60.6	-176.4	71.6	0	0	113.1	M552 G555 M557	M552-M582 HydrophobicContact CE-CE 4.16Å; M552-M582 HydrophobicContact CE-SD 3.98Å; M552-M582 HydrophobicContact SD-CE 4.22Å; M552-M582 HydrophobicContact SD-SD 3.37Å; G555-M582 PolarHBondContact O-N 2.7Å; M557-M582 HydrophobicContact CB-CG 4.14Å; M557-M582 HydrophobicContact CB-SD 4.03Å; M557-M582 HydrophobicContact CE-CE 4.01Å; M557-M582 HydrophobicContact CE-SD 4.04Å
583	Q	84.3	Confident	89	Confident	99 Å²	99	71.3 Å²	71.3	46%	0.463	38%	0.382	S	S	.	.	S	Bend	trans	-76.6	128.6	179.9	-166.5	64.4	63.7	0	0	109.8	N585 C586	Q583-N585 PolarHBondContact O-N 3.1Å; Q583-C586 HydrophobicContact CB-CB 4.21Å; Q583-C586 WeakPolarHBondContact O-CB 3.47Å; Q583-C586 PolarHBondContact O-N 3.3Å
584	S	80.4	Confident	89.1	Confident	87 Å²	87	71.9 Å²	71.9	61%	0.608	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	126.6	173.4	55.8	0	0	0	0	111.5
585	N	81.3	Confident	89.6	Confident	163 Å²	163	72 Å²	72	87%	0.872	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	36.1	-178.8	-40	5.2	0	0	0	113.3	Q583	Q583-N585 PolarHBondContact O-N 3.1Å
586	C	89.7	Confident	89.9	Confident	15 Å²	15	62.8 Å²	62.8	10%	0.101	34%	0.343	C	S	.	.			trans	-143.9	88.3	176.5	-162.2	0	0	0	0	113.3	Q583 K588 H599 H603	Q583-C586 HydrophobicContact CB-CB 4.21Å; Q583-C586 WeakPolarHBondContact O-CB 3.47Å; Q583-C586 PolarHBondContact O-N 3.3Å; C586-K588 PolarHBondContact O-N 3.04Å; C586-H599 PolarHBondContact SG-CE1 3.23Å; C586-H599 PolarHBondContact SG-NE2 3.21Å; C586-H603 WeakPolarHBondContact CB-NE2 3.23Å; C586-H603 PolarHBondContact SG-NE2 3.08Å
587	D	88.2	Confident	89.9	Confident	155 Å²	155	62.6 Å²	62.6	83%	0.829	34%	0.343	S	S	*	.			trans	-86.1	31.7	-172.6	-41.1	-61	0	0	0	112.9
588	K	89.5	Confident	90	Very high	116 Å²	116	65.9 Å²	65.9	50%	0.504	36%	0.356	S	S	.	.			trans	-85.4	127.2	-174.9	-70.6	-152.6	178.9	-70.9	0	112.6	C581 C586 Y590	C581-K588 PolarHBondContact N-O 3.44Å; C586-K588 PolarHBondContact O-N 3.04Å; K588-Y590 HydrophobicContact CB-CE2 3.92Å; K588-Y590 WeakPolarHBondContact CD-OH 3.46Å
589	V	92.5	Very high	90	Very high	38 Å²	38	66.3 Å²	66.3	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.6	174.8	-159.8	0	0	0	0	109.6	H578 Y579 H580	H578-V589 HydrophobicContact CB-CG1 4.25Å; Y579-V589 CarbonylContact O-C 3.56Å; Y579-V589 WeakPolarHBondContact O-CA 3.48Å; H580-V589 WeakPolarHBondContact ND1-CG2 3.35Å
590	Y	93.6	Very high	89.8	Confident	48 Å²	48	65.5 Å²	65.5	19%	0.188	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.9	174.5	-65.2	-78.8	0	0	0	111.8	F556 H578 Y579 K588 D595 V596 H599	F556-Y590 AromaticContact CE1-CD2 3.88Å; F556-Y590 HydrophobicContact CE1-CD2 3.88Å; F556-Y590 HydrophobicContact CE1-CE2 4.36Å; F556-Y590 HydrophobicContact CZ-CD2 4.14Å; F556-Y590 HydrophobicContact CZ-CE2 4.28Å; H578-Y590 CarbonylContact C-O 3.56Å; H578-Y590 WeakPolarHBondContact CA-O 3.43Å; Y579-Y590 PolarHBondContact N-O 2.67Å; Y579-Y590 PolarHBondContact O-N 3.12Å; K588-Y590 HydrophobicContact CB-CE2 3.92Å; K588-Y590 WeakPolarHBondContact CD-OH 3.46Å; Y590-D595 HydrophobicContact CD1-CB 3.34Å; Y590-D595 HydrophobicContact CE1-CB 3.71Å; Y590-D595 HydrophobicContact CG-CB 3.92Å; Y590-V596 HydrophobicContact CG-CG2 4.5Å; Y590-H599 HydrophobicContact CE2-CB 3.69Å; Y590-H599 AromaticContact CE2-CG 3.6Å; Y590-H599 AromaticContact CE2-ND1 3.46Å; Y590-H599 WeakPolarHBondContact CE2-ND1 3.44Å; Y590-H599 AromaticContact CZ-ND1 3.63Å; Y590-H599 PolarHBondContact OH-ND1 3.02Å
591	V	92.1	Very high	89.7	Confident	53 Å²	53	67.1 Å²	67.1	32%	0.321	37%	0.365	S	S	.	.	S	Bend	trans	-104	-41.7	174.4	-171.5	0	0	0	0	110.7	H572 Q576	H572-V591 VanDerWaalsContact CD2-CG2 3.44Å; H572-V591 WeakPolarHBondContact CD2-CG2 3.28Å; H572-V591 VanDerWaalsContact NE2-CG2 3.34Å; H572-V591 WeakPolarHBondContact NE2-CG2 3.49Å; Q576-V591 HydrophobicContact CG-CG1 4.47Å; Q576-V591 VanDerWaalsContact NE2-CG2 3.33Å
592	S	91.1	Very high	89.5	Confident	46 Å²	46	68.7 Å²	68.7	32%	0.322	37%	0.369	S	S	.	.	S	Bend	trans	-81.8	144	178.9	-176	0	0	0	0	113	S594 D595 V596	S592-S594 VanDerWaalsContact C-N 3.3Å; S592-S594 WeakPolarHBondContact CB-OG 3.27Å; S592-S594 PolarHBondContact O-N 3.08Å; S592-S594 PolarHBondContact OG-N 3.15Å; S592-S594 PolarHBondContact OG-OG 3.28Å; S592-D595 WeakPolarHBondContact CB-OD2 3.49Å; S592-D595 PolarHBondContact O-N 3.42Å; S592-V596 WeakPolarHBondContact O-CG2 3.36Å; S592-V596 PolarHBondContact O-N 2.77Å
593	T	88.5	Confident	89.4	Confident	90 Å²	90	65.6 Å²	65.6	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-68.8	-25.2	171.6	51.5	0	0	0	0	113.1	Y579 D595 Q597	Y579-T593 HydrophobicContact CE2-CG2 4.4Å; T593-D595 VanDerWaalsContact C-N 3.32Å; T593-D595 PolarHBondContact O-N 3.3Å; T593-Q597 WeakPolarHBondContact O-CB 3.31Å; T593-Q597 PolarHBondContact O-N 2.87Å; T593-Q597 VanDerWaalsContact O-N 3.1Å
594	S	89.8	Confident	89.6	Confident	64 Å²	64	64.7 Å²	64.7	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-45.7	174.5	54.5	0	0	0	0	111.4	S592 Q597 M598	S592-S594 VanDerWaalsContact C-N 3.3Å; S592-S594 WeakPolarHBondContact CB-OG 3.27Å; S592-S594 PolarHBondContact O-N 3.08Å; S592-S594 PolarHBondContact OG-N 3.15Å; S592-S594 PolarHBondContact OG-OG 3.28Å; S594-Q597 PolarHBondContact O-N 3.44Å; S594-M598 WeakPolarHBondContact O-CB 3.37Å; S594-M598 PolarHBondContact O-N 3.45Å
595	D	92.9	Very high	90	Very high	55 Å²	55	67 Å²	67	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-81.4	-37.6	-167.6	-48.3	-24.8	0	0	0	110	Y590 S592 T593 Q597 M598 H599	Y590-D595 HydrophobicContact CD1-CB 3.34Å; Y590-D595 HydrophobicContact CE1-CB 3.71Å; Y590-D595 HydrophobicContact CG-CB 3.92Å; S592-D595 WeakPolarHBondContact CB-OD2 3.49Å; S592-D595 PolarHBondContact O-N 3.42Å; T593-D595 VanDerWaalsContact C-N 3.32Å; T593-D595 PolarHBondContact O-N 3.3Å; D595-Q597 VanDerWaalsContact C-N 3.32Å; D595-Q597 PolarHBondContact O-N 3.04Å; D595-M598 PolarHBondContact O-N 3.08Å; D595-H599 WeakPolarHBondContact O-CB 3.45Å; D595-H599 PolarHBondContact O-N 2.94Å
596	V	89.9	Confident	90.3	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-49.4	-51.8	163.8	169	0	0	0	0	110.9	F556 Y579 Y590 S592 H599 A600	F556-V596 HydrophobicContact CB-CG1 4.25Å; F556-V596 HydrophobicContact CD1-CG1 4.17Å; F556-V596 HydrophobicContact CD1-CG2 4.22Å; F556-V596 HydrophobicContact CD2-CG1 3.66Å; F556-V596 HydrophobicContact CE1-CG1 4.47Å; F556-V596 HydrophobicContact CE1-CG2 4.24Å; F556-V596 HydrophobicContact CE2-CG1 3.96Å; F556-V596 WeakPolarHBondContact CE2-O 3.41Å; F556-V596 HydrophobicContact CG-CG1 3.76Å; F556-V596 HydrophobicContact CZ-CG1 4.35Å; Y579-V596 VanDerWaalsContact CB-CG2 3.42Å; Y579-V596 HydrophobicContact CD1-CG2 4.07Å; Y579-V596 HydrophobicContact CD2-CG2 3.88Å; Y579-V596 HydrophobicContact CG-CG2 3.55Å; Y590-V596 HydrophobicContact CG-CG2 4.5Å; S592-V596 WeakPolarHBondContact O-CG2 3.36Å; S592-V596 PolarHBondContact O-N 2.77Å; V596-H599 PolarHBondContact O-N 2.99Å; V596-A600 WeakPolarHBondContact O-CB 3.07Å; V596-A600 PolarHBondContact O-N 2.8Å
597	Q	90.4	Very high	90.3	Very high	71 Å²	71	61.3 Å²	61.3	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-73	-36.3	-176.9	-160	171.7	10.6	0	0	112.2	Y554 T593 S594 D595 H599 N601	Y554-Q597 HydrophobicContact CE1-CG 4.36Å; T593-Q597 WeakPolarHBondContact O-CB 3.31Å; T593-Q597 PolarHBondContact O-N 2.87Å; T593-Q597 VanDerWaalsContact O-N 3.1Å; S594-Q597 PolarHBondContact O-N 3.44Å; D595-Q597 VanDerWaalsContact C-N 3.32Å; D595-Q597 PolarHBondContact O-N 3.04Å; Q597-H599 VanDerWaalsContact C-N 3.33Å; Q597-N601 WeakPolarHBondContact O-CB 3.14Å; Q597-N601 VanDerWaalsContact O-CG 3.23Å; Q597-N601 PolarHBondContact O-N 3.45Å; Q597-N601 PolarHBondContact O-ND2 3.25Å
598	M	92	Very high	90.4	Very high	120 Å²	120	57.6 Å²	57.6	59%	0.591	30%	0.302	S	S	*	.	H	α-helix	trans	-59.4	-43.8	170.1	174.5	172.1	62.9	0	0	111.5	S594 D595 N601 Y602	S594-M598 WeakPolarHBondContact O-CB 3.37Å; S594-M598 PolarHBondContact O-N 3.45Å; D595-M598 PolarHBondContact O-N 3.08Å; M598-N601 CarbonylContact O-C 3.59Å; M598-N601 WeakPolarHBondContact O-CB 3.37Å; M598-N601 PolarHBondContact O-N 3.09Å; M598-Y602 PolarHBondContact O-N 3.14Å
599	H	93.2	Very high	90.4	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-71.9	-42.1	-178	-172.9	103.5	0	0	0	112.3	F556 C586 Y590 D595 V596 Q597 N601 Y602 H603	F556-H599 HydrophobicContact CE2-CB 4.39Å; F556-H599 AromaticContact CE2-CD2 3.99Å; F556-H599 HydrophobicContact CZ-CB 3.91Å; F556-H599 AromaticContact CZ-CD2 3.51Å; F556-H599 AromaticContact CZ-CG 3.87Å; C586-H599 PolarHBondContact SG-CE1 3.23Å; C586-H599 PolarHBondContact SG-NE2 3.21Å; Y590-H599 HydrophobicContact CE2-CB 3.69Å; Y590-H599 AromaticContact CE2-CG 3.6Å; Y590-H599 AromaticContact CE2-ND1 3.46Å; Y590-H599 WeakPolarHBondContact CE2-ND1 3.44Å; Y590-H599 AromaticContact CZ-ND1 3.63Å; Y590-H599 PolarHBondContact OH-ND1 3.02Å; D595-H599 WeakPolarHBondContact O-CB 3.45Å; D595-H599 PolarHBondContact O-N 2.94Å; V596-H599 PolarHBondContact O-N 2.99Å; Q597-H599 VanDerWaalsContact C-N 3.33Å; H599-N601 PolarHBondContact O-N 3Å; H599-Y602 WeakPolarHBondContact O-CA 3.38Å; H599-Y602 VanDerWaalsContact O-CB 3.28Å; H599-Y602 WeakPolarHBondContact O-CB 3.44Å; H599-Y602 PolarHBondContact O-N 3.11Å; H599-H603 AromaticContact CD2-CD2 3.58Å; H599-H603 AromaticContact CD2-NE2 3.93Å; H599-H603 AromaticContact CE1-NE2 3.99Å; H599-H603 AromaticContact NE2-CD2 3.25Å; H599-H603 PolarHBondContact NE2-CD2 2.81Å; H599-H603 VanDerWaalsContact NE2-CD2 3.25Å; H599-H603 AromaticContact NE2-NE2 3.1Å; H599-H603 PolarHBondContact NE2-NE2 3.1Å; H599-H603 VanDerWaalsContact NE2-NE2 3.1Å; H599-H603 PolarHBondContact O-N 3.19Å; H599-H603 VanDerWaalsContact O-N 3.09Å
600	A	89.8	Confident	90.2	Very high	7 Å²	7	54.1 Å²	54.1	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-36.5	170.3	0	0	0	0	0	111.8	Y554 F556 V596 Y602 R604	Y554-A600 HydrophobicContact CD1-CB 4.2Å; Y554-A600 HydrophobicContact CG-CB 4.48Å; Y554-A600 WeakPolarHBondContact O-CB 3.48Å; F556-A600 HydrophobicContact CE2-CB 4.11Å; V596-A600 WeakPolarHBondContact O-CB 3.07Å; V596-A600 PolarHBondContact O-N 2.8Å; A600-Y602 VanDerWaalsContact C-N 3.33Å; A600-R604 WeakPolarHBondContact O-CB 3.36Å; A600-R604 PolarHBondContact O-N 2.92Å
601	N	89.8	Confident	89.9	Confident	47 Å²	47	59.5 Å²	59.5	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-71.2	-24.5	172.8	-76.5	-42.6	0	0	0	113.2	Q597 M598 H599 R604 K605	Q597-N601 WeakPolarHBondContact O-CB 3.14Å; Q597-N601 VanDerWaalsContact O-CG 3.23Å; Q597-N601 PolarHBondContact O-N 3.45Å; Q597-N601 PolarHBondContact O-ND2 3.25Å; M598-N601 CarbonylContact O-C 3.59Å; M598-N601 WeakPolarHBondContact O-CB 3.37Å; M598-N601 PolarHBondContact O-N 3.09Å; H599-N601 PolarHBondContact O-N 3Å; N601-R604 VanDerWaalsContact OD1-CZ 3.29Å; N601-R604 PolarHBondContact OD1-NH1 2.71Å; N601-R604 PolarHBondContact OD1-NH2 3.07Å; N601-K605 VanDerWaalsContact O-CD 3.23Å; N601-K605 WeakPolarHBondContact O-CD 3.41Å; N601-K605 WeakPolarHBondContact O-CG 3.4Å; N601-K605 PolarHBondContact O-N 3.43Å
602	Y	89.2	Confident	89.6	Confident	53 Å²	53	59.9 Å²	59.9	21%	0.208	31%	0.312	C	S	.	.	H	α-helix	trans	-68.6	-57.8	170.6	148.4	-115.3	0	0	0	110.7	M598 H599 A600 R604 K605 D606 R618	M598-Y602 PolarHBondContact O-N 3.14Å; H599-Y602 WeakPolarHBondContact O-CA 3.38Å; H599-Y602 VanDerWaalsContact O-CB 3.28Å; H599-Y602 WeakPolarHBondContact O-CB 3.44Å; H599-Y602 PolarHBondContact O-N 3.11Å; A600-Y602 VanDerWaalsContact C-N 3.33Å; Y602-R604 PolarHBondContact O-N 2.78Å; Y602-R604 VanDerWaalsContact O-N 3.16Å; Y602-K605 WeakPolarHBondContact O-CB 3.44Å; Y602-K605 PolarHBondContact O-N 2.76Å; Y602-D606 HydrophobicContact CD2-CB 4.5Å; Y602-D606 VanDerWaalsContact CD2-OD1 3.26Å; Y602-D606 WeakPolarHBondContact CD2-OD1 2.83Å; Y602-D606 HydrophobicContact CE2-CB 4.25Å; Y602-D606 WeakPolarHBondContact CE2-OD1 3.17Å; Y602-D606 VanDerWaalsContact CE2-OD2 3.3Å; Y602-D606 WeakPolarHBondContact CE2-OD2 3.21Å; Y602-D606 PolarHBondContact O-N 3.45Å; Y602-R618 VanDerWaalsContact CZ-NH1 3.3Å; Y602-R618 PolarHBondContact OH-NH1 3.15Å; Y602-R618 VanDerWaalsContact OH-NH1 3.12Å
603	H	88.3	Confident	89.6	Confident	36 Å²	36	59 Å²	59	17%	0.167	31%	0.311	C	S	.	.	H	α-helix	trans	-57	-36.1	179.7	-80.2	-57	0	0	0	112.9	C586 H599 D606 A607	C586-H603 WeakPolarHBondContact CB-NE2 3.23Å; C586-H603 PolarHBondContact SG-NE2 3.08Å; H599-H603 AromaticContact CD2-CD2 3.58Å; H599-H603 AromaticContact CD2-NE2 3.93Å; H599-H603 AromaticContact CE1-NE2 3.99Å; H599-H603 AromaticContact NE2-CD2 3.25Å; H599-H603 PolarHBondContact NE2-CD2 2.81Å; H599-H603 VanDerWaalsContact NE2-CD2 3.25Å; H599-H603 AromaticContact NE2-NE2 3.1Å; H599-H603 PolarHBondContact NE2-NE2 3.1Å; H599-H603 VanDerWaalsContact NE2-NE2 3.1Å; H599-H603 PolarHBondContact O-N 3.19Å; H599-H603 VanDerWaalsContact O-N 3.09Å; H603-D606 PolarHBondContact O-N 2.82Å; H603-A607 VanDerWaalsContact O-CB 3.29Å; H603-A607 WeakPolarHBondContact O-CB 3.21Å; H603-A607 PolarHBondContact O-N 3.05Å
604	R	88.8	Confident	89.8	Confident	80 Å²	80	55 Å²	55	30%	0.302	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-39.2	174.4	-156.8	-175.7	-43.6	144.6	19.8	113.3	D333 A600 N601 Y602 V608	D333-R604 IonicContact OD1-CZ 2.93Å; D333-R604 IonicContact OD1-NH1 2.81Å; D333-R604 PolarHBondContact OD1-NH1 3.27Å; D333-R604 IonicContact OD2-CZ 2.66Å; D333-R604 IonicContact OD2-NH1 2.65Å; D333-R604 PolarHBondContact OD2-NH1 2.7Å; A600-R604 WeakPolarHBondContact O-CB 3.36Å; A600-R604 PolarHBondContact O-N 2.92Å; N601-R604 VanDerWaalsContact OD1-CZ 3.29Å; N601-R604 PolarHBondContact OD1-NH1 2.71Å; N601-R604 PolarHBondContact OD1-NH2 3.07Å; Y602-R604 PolarHBondContact O-N 2.78Å; Y602-R604 VanDerWaalsContact O-N 3.16Å; R604-V608 WeakPolarHBondContact O-CG2 3.43Å; R604-V608 PolarHBondContact O-N 3.2Å
605	K	88.7	Confident	89.8	Confident	135 Å²	135	54.2 Å²	54.2	59%	0.587	28%	0.275	S	S	*	.	H	α-helix	trans	-67.2	-41.1	175.7	-73.7	163.2	-169.4	169.6	0	111.1	N601 Y602 V608 I609	N601-K605 VanDerWaalsContact O-CD 3.23Å; N601-K605 WeakPolarHBondContact O-CD 3.41Å; N601-K605 WeakPolarHBondContact O-CG 3.4Å; N601-K605 PolarHBondContact O-N 3.43Å; Y602-K605 WeakPolarHBondContact O-CB 3.44Å; Y602-K605 PolarHBondContact O-N 2.76Å; K605-V608 PolarHBondContact O-N 3.09Å; K605-I609 WeakPolarHBondContact O-CD1 3.11Å; K605-I609 VanDerWaalsContact O-CG1 3.3Å; K605-I609 WeakPolarHBondContact O-CG1 3.44Å; K605-I609 PolarHBondContact O-N 2.87Å; K605-I609 VanDerWaalsContact O-N 3.08Å
606	D	88.7	Confident	89.7	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-74.8	-38.7	-175.9	-75.3	52.5	0	0	0	112.1	Y602 H603 V608 I609 I610 R616	Y602-D606 HydrophobicContact CD2-CB 4.5Å; Y602-D606 VanDerWaalsContact CD2-OD1 3.26Å; Y602-D606 WeakPolarHBondContact CD2-OD1 2.83Å; Y602-D606 HydrophobicContact CE2-CB 4.25Å; Y602-D606 WeakPolarHBondContact CE2-OD1 3.17Å; Y602-D606 VanDerWaalsContact CE2-OD2 3.3Å; Y602-D606 WeakPolarHBondContact CE2-OD2 3.21Å; Y602-D606 PolarHBondContact O-N 3.45Å; H603-D606 PolarHBondContact O-N 2.82Å; D606-V608 VanDerWaalsContact C-N 3.28Å; D606-V608 PolarHBondContact O-N 3.02Å; D606-I609 PolarHBondContact O-N 3.28Å; D606-I609 VanDerWaalsContact O-N 3.16Å; D606-I610 WeakPolarHBondContact O-CB 3.44Å; D606-I610 WeakPolarHBondContact O-CG1 3.23Å; D606-I610 PolarHBondContact O-N 3.47Å; D606-R616 IonicContact OD1-CZ 3.14Å; D606-R616 IonicContact OD1-NH1 2.85Å; D606-R616 PolarHBondContact OD1-NH1 3.19Å; D606-R616 IonicContact OD1-NH2 3.32Å; D606-R616 PolarHBondContact OD1-NH2 3.28Å; D606-R616 IonicContact OD2-CZ 3.33Å; D606-R616 IonicContact OD2-NH1 3.88Å; D606-R616 PolarHBondContact OD2-NH1 3.23Å; D606-R616 IonicContact OD2-NH2 2.84Å; D606-R616 PolarHBondContact OD2-NH2 3.23Å
607	A	89.3	Confident	89.7	Confident	46 Å²	46	54.9 Å²	54.9	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-40.1	170	0	0	0	0	0	112.2	H603 I610 Q611	H603-A607 VanDerWaalsContact O-CB 3.29Å; H603-A607 WeakPolarHBondContact O-CB 3.21Å; H603-A607 PolarHBondContact O-N 3.05Å; A607-I610 PolarHBondContact O-N 3.02Å; A607-Q611 WeakPolarHBondContact O-CB 3.17Å; A607-Q611 VanDerWaalsContact O-CG 3.29Å; A607-Q611 WeakPolarHBondContact O-CG 3.1Å; A607-Q611 PolarHBondContact O-N 3.4Å
608	V	90.5	Very high	89.5	Confident	77 Å²	77	55.1 Å²	55.1	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-68.9	-37.4	175.9	170.7	0	0	0	0	112.1	R604 K605 D606 I610 Q611 E612	R604-V608 WeakPolarHBondContact O-CG2 3.43Å; R604-V608 PolarHBondContact O-N 3.2Å; K605-V608 PolarHBondContact O-N 3.09Å; D606-V608 VanDerWaalsContact C-N 3.28Å; D606-V608 PolarHBondContact O-N 3.02Å; V608-I610 VanDerWaalsContact C-N 3.33Å; V608-Q611 PolarHBondContact O-N 3.08Å; V608-E612 WeakPolarHBondContact O-CB 3.43Å; V608-E612 WeakPolarHBondContact O-CG 3.29Å; V608-E612 PolarHBondContact O-N 3.45Å
609	I	89.4	Confident	89.1	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.072	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-40.6	174.8	-67.5	159.6	0	0	0	110.5	K605 D606 E612 G613 F614 F638	K605-I609 WeakPolarHBondContact O-CD1 3.11Å; K605-I609 VanDerWaalsContact O-CG1 3.3Å; K605-I609 WeakPolarHBondContact O-CG1 3.44Å; K605-I609 PolarHBondContact O-N 2.87Å; K605-I609 VanDerWaalsContact O-N 3.08Å; D606-I609 PolarHBondContact O-N 3.28Å; D606-I609 VanDerWaalsContact O-N 3.16Å; I609-E612 PolarHBondContact O-N 3.04Å; I609-G613 PolarHBondContact O-N 3.33Å; I609-F614 CarbonylContact C-O 3.44Å; I609-F614 HydrophobicContact CG2-CB 3.81Å; I609-F614 PolarHBondContact O-N 3.4Å; I609-F614 VanDerWaalsContact O-O 3.1Å; I609-F638 HydrophobicContact CD1-CE1 4.18Å; I609-F638 HydrophobicContact CG2-CD1 4.28Å; I609-F638 HydrophobicContact CG2-CE1 4.38Å
610	I	88.9	Confident	88.5	Confident	66 Å²	66	55.6 Å²	55.6	34%	0.338	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-44.2	175.7	-72.6	165.7	0	0	0	111.8	D606 A607 V608 E612 G613 F614	D606-I610 WeakPolarHBondContact O-CB 3.44Å; D606-I610 WeakPolarHBondContact O-CG1 3.23Å; D606-I610 PolarHBondContact O-N 3.47Å; A607-I610 PolarHBondContact O-N 3.02Å; V608-I610 VanDerWaalsContact C-N 3.33Å; I610-E612 VanDerWaalsContact C-N 3.28Å; I610-E612 PolarHBondContact O-N 3.43Å; I610-G613 PolarHBondContact O-N 3.34Å; I610-F614 VanDerWaalsContact CA-O 3.28Å; I610-F614 WeakPolarHBondContact CA-O 3.42Å; I610-F614 PolarHBondContact N-O 3.14Å
611	Q	86.7	Confident	88.1	Confident	162 Å²	162	58.1 Å²	58.1	76%	0.757	30%	0.297	S	S	*	.	H	α-helix	trans	-63.8	-31.6	175.2	-75.7	173.2	-7.4	0	0	112.9	A607 V608 G613	A607-Q611 WeakPolarHBondContact O-CB 3.17Å; A607-Q611 VanDerWaalsContact O-CG 3.29Å; A607-Q611 WeakPolarHBondContact O-CG 3.1Å; A607-Q611 PolarHBondContact O-N 3.4Å; V608-Q611 PolarHBondContact O-N 3.08Å; Q611-G613 PolarHBondContact O-N 3.41Å
612	E	86.7	Confident	87.8	Confident	60 Å²	60	61.6 Å²	61.6	28%	0.28	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.9	172.8	-77	-73.8	-171.2	0	0	113.5	V608 I609 I610 F614 K659	V608-E612 WeakPolarHBondContact O-CB 3.43Å; V608-E612 WeakPolarHBondContact O-CG 3.29Å; V608-E612 PolarHBondContact O-N 3.45Å; I609-E612 PolarHBondContact O-N 3.04Å; I610-E612 VanDerWaalsContact C-N 3.28Å; I610-E612 PolarHBondContact O-N 3.43Å; E612-F614 HydrophobicContact CB-CD2 4.18Å; E612-F614 WeakPolarHBondContact O-CD2 3.26Å; E612-F614 VanDerWaalsContact O-CE2 3.23Å; E612-F614 WeakPolarHBondContact O-CE2 3.46Å; E612-K659 IonicContact OE1-NZ 3.31Å; E612-K659 PolarHBondContact OE1-NZ 3.02Å; E612-K659 WeakPolarHBondContact OE2-CD 3.48Å; E612-K659 WeakPolarHBondContact OE2-CE 3.45Å; E612-K659 IonicContact OE2-NZ 2.65Å; E612-K659 PolarHBondContact OE2-NZ 2.79Å
613	G	89.3	Confident	87.8	Confident	29 Å²	29	59.6 Å²	59.6	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	21.6	175.4	0	0	0	0	0	114.8	I609 I610 Q611 R641	I609-G613 PolarHBondContact O-N 3.33Å; I610-G613 PolarHBondContact O-N 3.34Å; Q611-G613 PolarHBondContact O-N 3.41Å; G613-R641 WeakPolarHBondContact O-CB 3.45Å; G613-R641 PolarHBondContact O-N 2.85Å
614	F	93.1	Very high	87.5	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	156.5	-179.9	-61.8	-88.7	0	0	0	111.9	I609 I610 E612 H639 F649 M655 H658 K659	I609-F614 CarbonylContact C-O 3.44Å; I609-F614 HydrophobicContact CG2-CB 3.81Å; I609-F614 PolarHBondContact O-N 3.4Å; I609-F614 VanDerWaalsContact O-O 3.1Å; I610-F614 VanDerWaalsContact CA-O 3.28Å; I610-F614 WeakPolarHBondContact CA-O 3.42Å; I610-F614 PolarHBondContact N-O 3.14Å; E612-F614 HydrophobicContact CB-CD2 4.18Å; E612-F614 WeakPolarHBondContact O-CD2 3.26Å; E612-F614 VanDerWaalsContact O-CE2 3.23Å; E612-F614 WeakPolarHBondContact O-CE2 3.46Å; F614-H639 CarbonylContact C-O 3.56Å; F614-H639 VanDerWaalsContact CA-O 3.28Å; F614-H639 WeakPolarHBondContact CA-O 3.38Å; F614-F649 AromaticContact CD1-CE1 3.87Å; F614-F649 HydrophobicContact CD1-CE1 3.87Å; F614-F649 AromaticContact CD1-CZ 3.68Å; F614-F649 HydrophobicContact CD1-CZ 3.68Å; F614-F649 AromaticContact CE1-CE1 3.69Å; F614-F649 HydrophobicContact CE1-CE1 3.69Å; F614-F649 AromaticContact CE1-CZ 3.67Å; F614-F649 HydrophobicContact CE1-CZ 3.67Å; F614-M655 HydrophobicContact CD1-CG 4.03Å; F614-M655 HydrophobicContact CD2-CG 3.46Å; F614-M655 VanDerWaalsContact CD2-CG 3.46Å; F614-M655 HydrophobicContact CD2-SD 3.94Å; F614-M655 HydrophobicContact CE1-CG 3.92Å; F614-M655 HydrophobicContact CE2-CG 3.35Å; F614-M655 HydrophobicContact CE2-SD 4.33Å; F614-M655 HydrophobicContact CG-CG 3.82Å; F614-M655 HydrophobicContact CG-SD 4.31Å; F614-M655 HydrophobicContact CZ-CB 4.46Å; F614-M655 HydrophobicContact CZ-CG 3.58Å; F614-M655 WeakPolarHBondContact CZ-O 3.39Å; F614-H658 HydrophobicContact CE1-CB 4.45Å; F614-H658 AromaticContact CE1-CD2 3.65Å; F614-H658 HydrophobicContact CZ-CB 4.44Å; F614-H658 AromaticContact CZ-CD2 3.9Å; F614-K659 HydrophobicContact CZ-CB 4.43Å
615	Q	90.4	Very high	87.2	Confident	49 Å²	49	60.9 Å²	60.9	23%	0.229	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.7	165.9	-172.6	56.8	47.3	0	0	108.4	F617 F638 H639 R641	Q615-F617 HydrophobicContact CB-CE2 4.21Å; Q615-F617 HydrophobicContact CG-CD2 4.39Å; Q615-F617 HydrophobicContact CG-CE1 4.28Å; Q615-F617 HydrophobicContact CG-CE2 3.71Å; Q615-F617 HydrophobicContact CG-CZ 3.65Å; Q615-F638 CarbonylContact O-C 3.59Å; Q615-F638 VanDerWaalsContact O-CA 3.23Å; Q615-F638 WeakPolarHBondContact O-CA 3.47Å; Q615-H639 PolarHBondContact N-O 3.16Å; Q615-H639 PolarHBondContact O-N 2.93Å; Q615-R641 HydrophobicContact CB-CG 3.99Å
616	R	89.9	Confident	86.8	Confident	35 Å²	35	59.5 Å²	59.5	13%	0.132	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.3	166.6	-162.5	-166.4	69.2	-107.4	-14.9	109.4	D606 H637 F638	D606-R616 IonicContact OD1-CZ 3.14Å; D606-R616 IonicContact OD1-NH1 2.85Å; D606-R616 PolarHBondContact OD1-NH1 3.19Å; D606-R616 IonicContact OD1-NH2 3.32Å; D606-R616 PolarHBondContact OD1-NH2 3.28Å; D606-R616 IonicContact OD2-CZ 3.33Å; D606-R616 IonicContact OD2-NH1 3.88Å; D606-R616 PolarHBondContact OD2-NH1 3.23Å; D606-R616 IonicContact OD2-NH2 2.84Å; D606-R616 PolarHBondContact OD2-NH2 3.23Å; R616-H637 WeakPolarHBondContact CA-O 3.47Å; R616-H637 WeakPolarHBondContact CG-O 3.23Å; R616-F638 HydrophobicContact CB-CD1 3.83Å; R616-F638 HydrophobicContact CB-CE1 3.8Å; R616-F638 HydrophobicContact CG-CD1 3.79Å; R616-F638 HydrophobicContact CG-CE1 3.54Å; R616-F638 HydrophobicContact CG-CE2 4.29Å; R616-F638 HydrophobicContact CG-CG 4.28Å; R616-F638 HydrophobicContact CG-CZ 3.8Å
617	F	89.6	Confident	86.4	Confident	41 Å²	41	68.1 Å²	68.1	18%	0.18	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.7	164.5	-60.3	-83.6	0	0	0	109	Q615 E621 C623 T636 H637 H639	Q615-F617 HydrophobicContact CB-CE2 4.21Å; Q615-F617 HydrophobicContact CG-CD2 4.39Å; Q615-F617 HydrophobicContact CG-CE1 4.28Å; Q615-F617 HydrophobicContact CG-CE2 3.71Å; Q615-F617 HydrophobicContact CG-CZ 3.65Å; F617-E621 HydrophobicContact CB-CB 4.42Å; F617-C623 HydrophobicContact CD1-CB 4.02Å; F617-C623 HydrophobicContact CD2-CB 3.54Å; F617-C623 HydrophobicContact CE1-CB 4.06Å; F617-C623 HydrophobicContact CE2-CB 3.57Å; F617-C623 HydrophobicContact CG-CB 3.77Å; F617-C623 HydrophobicContact CZ-CB 3.83Å; F617-T636 WeakPolarHBondContact O-CA 3.41Å; F617-H637 AromaticContact CD2-NE2 3.97Å; F617-H637 PolarHBondContact N-O 3.38Å; F617-H637 PolarHBondContact O-N 2.86Å; F617-H639 AromaticContact CD2-CD2 3.51Å; F617-H639 AromaticContact CD2-NE2 3.66Å; F617-H639 HydrophobicContact CE2-CB 4.42Å; F617-H639 AromaticContact CE2-CD2 3.47Å; F617-H639 VanDerWaalsContact CE2-CD2 3.47Å; F617-H639 WeakPolarHBondContact CE2-CD2 3.34Å; F617-H639 AromaticContact CE2-CG 3.89Å; F617-H639 AromaticContact CE2-NE2 3.93Å
618	R	86.3	Confident	86.1	Confident	76 Å²	76	66.4 Å²	66.4	29%	0.287	36%	0.36	S	S	.	.			trans	-72.5	170.9	172.1	-71.9	-174.5	177	73.3	-4	111.7	Y602 T620 E621	Y602-R618 VanDerWaalsContact CZ-NH1 3.3Å; Y602-R618 PolarHBondContact OH-NH1 3.15Å; Y602-R618 VanDerWaalsContact OH-NH1 3.12Å; R618-T620 PolarHBondContact O-N 3.34Å; R618-T620 VanDerWaalsContact O-N 3.14Å; R618-E621 HydrophobicContact CB-CB 4.17Å; R618-E621 VanDerWaalsContact CB-CD 3.44Å; R618-E621 HydrophobicContact CB-CG 3.89Å; R618-E621 WeakPolarHBondContact CB-OE2 3.5Å; R618-E621 WeakPolarHBondContact CD-OE1 3.47Å; R618-E621 HydrophobicContact CG-CG 4.45Å; R618-E621 VanDerWaalsContact CG-OE1 3.3Å; R618-E621 WeakPolarHBondContact CG-OE1 3.35Å; R618-E621 WeakPolarHBondContact CG-OE2 3.2Å; R618-E621 IonicContact CZ-OE1 2.68Å; R618-E621 PolarHBondContact N-OE2 3.32Å; R618-E621 IonicContact NE-OE1 2.66Å; R618-E621 IonicContact NH1-OE1 2.88Å; R618-E621 PolarHBondContact NH1-OE1 2.8Å; R618-E621 IonicContact NH1-OE2 2.72Å; R618-E621 PolarHBondContact O-N 3.05Å
619	A	84.3	Confident	85.8	Confident	39 Å²	39	66.9 Å²	66.9	32%	0.322	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.5	167.3	0	0	0	0	0	114.7	C634 T636	A619-C634 WeakPolarHBondContact CB-O 3.37Å; A619-C634 CarbonylContact O-C 3.5Å; A619-C634 WeakPolarHBondContact O-CA 3.4Å; A619-C634 WeakPolarHBondContact O-CB 3.4Å; A619-T636 HydrophobicContact CB-CG2 4.38Å
620	T	79.9	Confident	85.6	Confident	98 Å²	98	68 Å²	68	60%	0.601	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	14.3	-178.5	58.2	0	0	0	0	112	R618	R618-T620 PolarHBondContact O-N 3.34Å; R618-T620 VanDerWaalsContact O-N 3.14Å
621	E	82.4	Confident	85.2	Confident	60 Å²	60	68.5 Å²	68.5	28%	0.28	37%	0.368	S	S	.	.	S	Bend	trans	-132.4	112	-174.6	-70.5	161.9	-168.1	0	0	108.7	F617 R618	F617-E621 HydrophobicContact CB-CB 4.42Å; R618-E621 HydrophobicContact CB-CB 4.17Å; R618-E621 VanDerWaalsContact CB-CD 3.44Å; R618-E621 HydrophobicContact CB-CG 3.89Å; R618-E621 WeakPolarHBondContact CB-OE2 3.5Å; R618-E621 WeakPolarHBondContact CD-OE1 3.47Å; R618-E621 HydrophobicContact CG-CG 4.45Å; R618-E621 VanDerWaalsContact CG-OE1 3.3Å; R618-E621 WeakPolarHBondContact CG-OE1 3.35Å; R618-E621 WeakPolarHBondContact CG-OE2 3.2Å; R618-E621 IonicContact CZ-OE1 2.68Å; R618-E621 PolarHBondContact N-OE2 3.32Å; R618-E621 IonicContact NE-OE1 2.66Å; R618-E621 IonicContact NH1-OE1 2.88Å; R618-E621 PolarHBondContact NH1-OE1 2.8Å; R618-E621 IonicContact NH1-OE2 2.72Å; R618-E621 PolarHBondContact O-N 3.05Å
622	D	83.8	Confident	85	Confident	120 Å²	120	70 Å²	70	64%	0.642	37%	0.371	S	S	*	.			trans	-74.5	133.4	-178.8	-64.4	-4.8	0	0	0	110.7	G624 Y631	D622-G624 PolarHBondContact O-N 3.39Å; D622-Y631 HydrophobicContact CB-CE2 4.19Å
623	C	88	Confident	84.5	Confident	11 Å²	11	71.7 Å²	71.7	7%	0.074	38%	0.379	C	S	.	.			trans	-77.3	2	-179.3	65.6	0	0	0	0	114.8	F617 I625 C628 H637 H639	F617-C623 HydrophobicContact CD1-CB 4.02Å; F617-C623 HydrophobicContact CD2-CB 3.54Å; F617-C623 HydrophobicContact CE1-CB 4.06Å; F617-C623 HydrophobicContact CE2-CB 3.57Å; F617-C623 HydrophobicContact CG-CB 3.77Å; F617-C623 HydrophobicContact CZ-CB 3.83Å; C623-I625 PolarHBondContact O-N 3.47Å; C623-C628 VanDerWaalsContact SG-CB 3.58Å; C623-H637 WeakPolarHBondContact CB-NE2 3.16Å; C623-H637 PolarHBondContact SG-NE2 3.03Å; C623-H639 WeakPolarHBondContact CB-NE2 3.28Å; C623-H639 PolarHBondContact SG-CE1 2.79Å; C623-H639 PolarHBondContact SG-NE2 3.36Å
624	G	82.4	Confident	84.2	Confident	56 Å²	56	75.4 Å²	75.4	58%	0.577	40%	0.4	S	S	*	.	S	Bend	trans	65.6	-28.6	-175.7	0	0	0	0	0	116	D622 T626	D622-G624 PolarHBondContact O-N 3.39Å; G624-T626 PolarHBondContact O-N 2.86Å; G624-T626 VanDerWaalsContact O-N 3.11Å
625	I	82	Confident	83.9	Confident	87 Å²	87	77.4 Å²	77.4	45%	0.446	41%	0.412	S	S	.	.			trans	-77.8	97.9	-177.6	-61.4	163.8	0	0	0	109.5	C623 K627 C628 H639	C623-I625 PolarHBondContact O-N 3.47Å; I625-K627 HydrophobicContact CG2-CB 4.34Å; I625-K627 PolarHBondContact O-N 2.87Å; I625-K627 VanDerWaalsContact O-N 3.09Å; I625-C628 HydrophobicContact CB-CB 4.37Å; I625-C628 HydrophobicContact CG2-CB 4.31Å; I625-C628 WeakPolarHBondContact O-CB 3.46Å; I625-C628 PolarHBondContact O-N 3.24Å; I625-H639 VanDerWaalsContact CB-CE1 3.41Å; I625-H639 WeakPolarHBondContact CB-CE1 3.3Å; I625-H639 WeakPolarHBondContact CD1-CE1 3.28Å
626	T	80.1	Confident	83.9	Confident	107 Å²	107	78.5 Å²	78.5	66%	0.656	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.4	178.5	55.9	0	0	0	0	114.4	G624 Y631	G624-T626 PolarHBondContact O-N 2.86Å; G624-T626 VanDerWaalsContact O-N 3.11Å; T626-Y631 HydrophobicContact CG2-CE1 4.08Å
627	K	80.3	Confident	84	Confident	194 Å²	194	77 Å²	77	84%	0.843	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-1.6	174.7	-65.4	-178	-180	179.4	0	114.1	I625	I625-K627 HydrophobicContact CG2-CB 4.34Å; I625-K627 PolarHBondContact O-N 2.87Å; I625-K627 VanDerWaalsContact O-N 3.09Å
628	C	85	Confident	84.1	Confident	10 Å²	10	75.7 Å²	75.7	7%	0.068	41%	0.411	C	S	.	.	S	Bend	trans	-72.5	129.6	175.9	177.6	0	0	0	0	109.8	C623 I625 F630 Y631 H639	C623-C628 VanDerWaalsContact SG-CB 3.58Å; I625-C628 HydrophobicContact CB-CB 4.37Å; I625-C628 HydrophobicContact CG2-CB 4.31Å; I625-C628 WeakPolarHBondContact O-CB 3.46Å; I625-C628 PolarHBondContact O-N 3.24Å; C628-F630 PolarHBondContact O-N 2.98Å; C628-F630 PolarHBondContact SG-N 2.81Å; C628-Y631 WeakPolarHBondContact O-CB 3.35Å; C628-Y631 PolarHBondContact O-N 3.45Å; C628-H639 WeakPolarHBondContact CB-CE1 3.48Å; C628-H639 PolarHBondContact SG-CE1 3.38Å; C628-H639 PolarHBondContact SG-NE2 3.2Å
629	P	83.5	Confident	84.4	Confident	87 Å²	87	72.8 Å²	72.8	57%	0.565	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.3	177.1	-26.7	35.2	0	0	0	114.5	T648	P629-T648 WeakPolarHBondContact CD-OG1 3.22Å
630	F	84.3	Confident	84.7	Confident	38 Å²	38	71.7 Å²	71.7	17%	0.167	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5.2	-175.8	-43.3	-51.6	0	0	0	113.1	C628 K632 E633 H637 K650	C628-F630 PolarHBondContact O-N 2.98Å; C628-F630 PolarHBondContact SG-N 2.81Å; F630-K632 VanDerWaalsContact C-N 3.28Å; F630-K632 PolarHBondContact O-N 2.92Å; F630-E633 WeakPolarHBondContact CD1-OE2 3.15Å; F630-E633 PolarHBondContact O-N 3.36Å; F630-H637 HydrophobicContact CB-CB 4.2Å; F630-H637 HydrophobicContact CD2-CB 3.82Å; F630-H637 HydrophobicContact CG-CB 4.26Å; F630-K650 HydrophobicContact CD1-CD 4.23Å; F630-K650 HydrophobicContact CD1-CG 4.13Å; F630-K650 HydrophobicContact CD2-CG 4.2Å; F630-K650 HydrophobicContact CE1-CD 4.31Å; F630-K650 VanDerWaalsContact CE1-CE 3.41Å; F630-K650 HydrophobicContact CE1-CG 4.02Å; F630-K650 HydrophobicContact CE2-CG 4.13Å; F630-K650 HydrophobicContact CG-CG 4.2Å; F630-K650 HydrophobicContact CZ-CG 4.02Å
631	Y	81.9	Confident	85.2	Confident	76 Å²	76	73.7 Å²	73.7	30%	0.298	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.3	-176.6	177.8	-115	0	0	0	113.3	D622 T626 C628	D622-Y631 HydrophobicContact CB-CE2 4.19Å; T626-Y631 HydrophobicContact CG2-CE1 4.08Å; C628-Y631 WeakPolarHBondContact O-CB 3.35Å; C628-Y631 PolarHBondContact O-N 3.45Å
632	K	81.2	Confident	85.2	Confident	192 Å²	192	76.2 Å²	76.2	84%	0.835	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.7	176.5	-63.9	-171.7	176.5	-173.8	0	114	F630	F630-K632 VanDerWaalsContact C-N 3.28Å; F630-K632 PolarHBondContact O-N 2.92Å
633	E	76.5	Confident	84.9	Confident	96 Å²	96	77.5 Å²	77.5	45%	0.449	40%	0.401	S	S	.	.	S	Bend	trans	-104.6	100.1	-176.9	-63.9	-169.2	143.3	0	0	109.1	F630 T635 K650	F630-E633 WeakPolarHBondContact CD1-OE2 3.15Å; F630-E633 PolarHBondContact O-N 3.36Å; E633-T635 HydrophobicContact CB-CG2 4.46Å; E633-T635 WeakPolarHBondContact O-CB 3.3Å; E633-T635 PolarHBondContact O-N 3.47Å; E633-T635 PolarHBondContact O-OG1 3.41Å; E633-K650 VanDerWaalsContact OE2-CE 3.29Å; E633-K650 WeakPolarHBondContact OE2-CE 3.3Å; E633-K650 IonicContact OE2-NZ 3.64Å; E633-K650 PolarHBondContact OE2-NZ 2.89Å
634	C	83.5	Confident	84.3	Confident	107 Å²	107	82.7 Å²	82.7	72%	0.723	43%	0.428	S	S	*	.			trans	-56.9	72.9	-179.5	-55.5	0	0	0	0	112.8	A619	A619-C634 WeakPolarHBondContact CB-O 3.37Å; A619-C634 CarbonylContact O-C 3.5Å; A619-C634 WeakPolarHBondContact O-CA 3.4Å; A619-C634 WeakPolarHBondContact O-CB 3.4Å
635	T	86.7	Confident	84.4	Confident	46 Å²	46	80.5 Å²	80.5	28%	0.282	40%	0.404	S	S	.	.	S	Bend	trans	-149.4	141.4	-167	58.4	0	0	0	0	110.1	E633 H637 K650	E633-T635 HydrophobicContact CB-CG2 4.46Å; E633-T635 WeakPolarHBondContact O-CB 3.3Å; E633-T635 PolarHBondContact O-N 3.47Å; E633-T635 PolarHBondContact O-OG1 3.41Å; T635-H637 PolarHBondContact O-N 2.85Å; T635-H637 PolarHBondContact O-ND1 3.2Å; T635-K650 WeakPolarHBondContact OG1-CE 3.36Å; T635-K650 PolarHBondContact OG1-NZ 2.94Å
636	T	89.5	Confident	84.3	Confident	72 Å²	72	84.6 Å²	84.6	44%	0.442	42%	0.42	S	S	.	.			trans	-65.2	125.2	-179.4	60	0	0	0	0	110.3	F617 A619	F617-T636 WeakPolarHBondContact O-CA 3.41Å; A619-T636 HydrophobicContact CB-CG2 4.38Å
637	H	92.2	Very high	84.6	Confident	4 Å²	4	84 Å²	84	2%	0.019	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	165.2	-177.9	67.5	-83	0	0	0	112.2	R616 F617 C623 F630 T635 H639 K650	R616-H637 WeakPolarHBondContact CA-O 3.47Å; R616-H637 WeakPolarHBondContact CG-O 3.23Å; F617-H637 AromaticContact CD2-NE2 3.97Å; F617-H637 PolarHBondContact N-O 3.38Å; F617-H637 PolarHBondContact O-N 2.86Å; C623-H637 WeakPolarHBondContact CB-NE2 3.16Å; C623-H637 PolarHBondContact SG-NE2 3.03Å; F630-H637 HydrophobicContact CB-CB 4.2Å; F630-H637 HydrophobicContact CD2-CB 3.82Å; F630-H637 HydrophobicContact CG-CB 4.26Å; T635-H637 PolarHBondContact O-N 2.85Å; T635-H637 PolarHBondContact O-ND1 3.2Å; H637-H639 AromaticContact CD2-CD2 3.48Å; H637-H639 PolarHBondContact CD2-CD2 2.95Å; H637-H639 VanDerWaalsContact CD2-CD2 3.48Å; H637-H639 AromaticContact CD2-NE2 2.55Å; H637-H639 PolarHBondContact CD2-NE2 3.44Å; H637-H639 AromaticContact CE1-NE2 3.44Å; H637-H639 PolarHBondContact CE1-NE2 2.99Å; H637-H639 AromaticContact CG-NE2 3.88Å; H637-H639 AromaticContact NE2-CD2 3.74Å; H637-H639 AromaticContact NE2-NE2 2.13Å; H637-H639 PolarHBondContact NE2-NE2 3.44Å; H637-K650 HydrophobicContact CB-CG 4.34Å
638	F	92.6	Very high	85	Confident	14 Å²	14	75.8 Å²	75.8	6%	0.061	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.6	-172.5	-60	-98.3	0	0	0	110.1	I609 Q615 R616 T648 F649 K650 K652	I609-F638 HydrophobicContact CD1-CE1 4.18Å; I609-F638 HydrophobicContact CG2-CD1 4.28Å; I609-F638 HydrophobicContact CG2-CE1 4.38Å; Q615-F638 CarbonylContact O-C 3.59Å; Q615-F638 VanDerWaalsContact O-CA 3.23Å; Q615-F638 WeakPolarHBondContact O-CA 3.47Å; R616-F638 HydrophobicContact CB-CD1 3.83Å; R616-F638 HydrophobicContact CB-CE1 3.8Å; R616-F638 HydrophobicContact CG-CD1 3.79Å; R616-F638 HydrophobicContact CG-CE1 3.54Å; R616-F638 HydrophobicContact CG-CE2 4.29Å; R616-F638 HydrophobicContact CG-CG 4.28Å; R616-F638 HydrophobicContact CG-CZ 3.8Å; F638-T648 CarbonylContact O-C 3.03Å; F638-T648 WeakPolarHBondContact O-CA 3.44Å; F638-F649 HydrophobicContact CB-CD1 4.49Å; F638-F649 HydrophobicContact CB-CD2 3.94Å; F638-F649 HydrophobicContact CB-CE1 4.06Å; F638-F649 HydrophobicContact CB-CE2 3.45Å; F638-F649 VanDerWaalsContact CB-CE2 3.45Å; F638-F649 HydrophobicContact CB-CG 4.43Å; F638-F649 HydrophobicContact CB-CZ 3.52Å; F638-F649 HydrophobicContact CD2-CD2 4.13Å; F638-F649 AromaticContact CD2-CE2 3.9Å; F638-F649 HydrophobicContact CD2-CE2 3.9Å; F638-F649 HydrophobicContact CG-CD2 4.31Å; F638-F649 AromaticContact CG-CE2 3.74Å; F638-F649 HydrophobicContact CG-CE2 3.74Å; F638-F649 HydrophobicContact CG-CZ 4.19Å; F638-F649 PolarHBondContact N-O 2.92Å; F638-F649 PolarHBondContact O-N 2.8Å; F638-K650 WeakPolarHBondContact CE2-O 3.34Å; F638-K652 HydrophobicContact CZ-CB 4.43Å
639	H	91.3	Very high	85.3	Confident	14 Å²	14	75.7 Å²	75.7	7%	0.065	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144	173.8	-69.2	-128.2	0	0	0	109.1	F614 Q615 F617 C623 I625 C628 H637 T648	F614-H639 CarbonylContact C-O 3.56Å; F614-H639 VanDerWaalsContact CA-O 3.28Å; F614-H639 WeakPolarHBondContact CA-O 3.38Å; Q615-H639 PolarHBondContact N-O 3.16Å; Q615-H639 PolarHBondContact O-N 2.93Å; F617-H639 AromaticContact CD2-CD2 3.51Å; F617-H639 AromaticContact CD2-NE2 3.66Å; F617-H639 HydrophobicContact CE2-CB 4.42Å; F617-H639 AromaticContact CE2-CD2 3.47Å; F617-H639 VanDerWaalsContact CE2-CD2 3.47Å; F617-H639 WeakPolarHBondContact CE2-CD2 3.34Å; F617-H639 AromaticContact CE2-CG 3.89Å; F617-H639 AromaticContact CE2-NE2 3.93Å; C623-H639 WeakPolarHBondContact CB-NE2 3.28Å; C623-H639 PolarHBondContact SG-CE1 2.79Å; C623-H639 PolarHBondContact SG-NE2 3.36Å; I625-H639 VanDerWaalsContact CB-CE1 3.41Å; I625-H639 WeakPolarHBondContact CB-CE1 3.3Å; I625-H639 WeakPolarHBondContact CD1-CE1 3.28Å; C628-H639 WeakPolarHBondContact CB-CE1 3.48Å; C628-H639 PolarHBondContact SG-CE1 3.38Å; C628-H639 PolarHBondContact SG-NE2 3.2Å; H637-H639 AromaticContact CD2-CD2 3.48Å; H637-H639 PolarHBondContact CD2-CD2 2.95Å; H637-H639 VanDerWaalsContact CD2-CD2 3.48Å; H637-H639 AromaticContact CD2-NE2 2.55Å; H637-H639 PolarHBondContact CD2-NE2 3.44Å; H637-H639 AromaticContact CE1-NE2 3.44Å; H637-H639 PolarHBondContact CE1-NE2 2.99Å; H637-H639 AromaticContact CG-NE2 3.88Å; H637-H639 AromaticContact NE2-CD2 3.74Å; H637-H639 AromaticContact NE2-NE2 2.13Å; H637-H639 PolarHBondContact NE2-NE2 3.44Å; H639-T648 HydrophobicContact CB-CG2 4.23Å; H639-T648 WeakPolarHBondContact ND1-CG2 3.32Å
640	C	92.2	Very high	85.5	Confident	16 Å²	16	75.1 Å²	75.1	11%	0.108	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.5	164.2	-159.8	0	0	0	0	109.7	C645 F647 H658 H662	C640-C645 HydrophobicContact CB-CB 4.3Å; C640-F647 PolarHBondContact N-O 3.45Å; C640-H658 PolarHBondContact SG-NE2 3.21Å; C640-H658 VanDerWaalsContact SG-NE2 3.43Å; C640-H662 PolarHBondContact SG-NE2 3.22Å; C640-H662 VanDerWaalsContact SG-NE2 3.36Å
641	R	89.9	Confident	85.6	Confident	141 Å²	141	77.7 Å²	77.7	53%	0.532	38%	0.378	S	S	.	.			trans	-96.1	0.2	173	-73.6	-176	58	156	-4	113	G613 Q615	G613-R641 WeakPolarHBondContact O-CB 3.45Å; G613-R641 PolarHBondContact O-N 2.85Å; Q615-R641 HydrophobicContact CB-CG 3.99Å
642	R	82.8	Confident	85.7	Confident	112 Å²	112	80.7 Å²	80.7	42%	0.423	39%	0.392	S	S	.	.	S	Bend	trans	-75.8	132.3	-176.8	-165.7	168.9	-174.1	164.5	-5.6	110.5	N644 C645 D666	R642-N644 PolarHBondContact O-N 3.35Å; R642-C645 HydrophobicContact CB-CB 4.42Å; R642-C645 WeakPolarHBondContact O-CB 3.35Å; R642-C645 PolarHBondContact O-N 3.43Å; R642-D666 IonicContact CZ-OD1 3.1Å; R642-D666 IonicContact CZ-OD2 3.25Å; R642-D666 IonicContact NH1-OD1 2.92Å; R642-D666 IonicContact NH1-OD2 3.41Å; R642-D666 PolarHBondContact NH1-OD2 3.31Å; R642-D666 VanDerWaalsContact NH2-CG 3.26Å; R642-D666 IonicContact NH2-OD1 2.67Å; R642-D666 PolarHBondContact NH2-OD1 3.33Å; R642-D666 IonicContact NH2-OD2 2.74Å; R642-D666 PolarHBondContact NH2-OD2 3.2Å; R642-D666 VanDerWaalsContact NH2-OD2 3.14Å
643	N	77	Confident	85.9	Confident	147 Å²	147	74.1 Å²	74.1	79%	0.786	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	139.1	178.5	-58.7	39.6	0	0	0	110.8	C645	N643-C645 PolarHBondContact O-N 3.41Å
644	N	74.7	Confident	86.3	Confident	121 Å²	121	71.8 Å²	71.8	65%	0.647	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.7	-175.8	-54.5	32.6	0	0	0	114.7	R642	R642-N644 PolarHBondContact O-N 3.35Å
645	C	84.2	Confident	86.5	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.061	33%	0.334	C	S	.	.			trans	-123.2	113.5	171.8	-165.8	0	0	0	0	112.8	C640 R642 N643 H658 H662	C640-C645 HydrophobicContact CB-CB 4.3Å; R642-C645 HydrophobicContact CB-CB 4.42Å; R642-C645 WeakPolarHBondContact O-CB 3.35Å; R642-C645 PolarHBondContact O-N 3.43Å; N643-C645 PolarHBondContact O-N 3.41Å; C645-H658 PolarHBondContact SG-CE1 3.36Å; C645-H658 PolarHBondContact SG-NE2 2.76Å; C645-H658 VanDerWaalsContact SG-NE2 3.44Å; C645-H662 VanDerWaalsContact SG-CE1 3.53Å
646	H	81.9	Confident	86.5	Confident	173 Å²	173	69.6 Å²	69.6	80%	0.801	34%	0.341	S	S	*	.			trans	-103.4	23.7	178.9	-57.8	-56.5	0	0	0	113.2
647	F	84.9	Confident	86.3	Confident	95 Å²	95	72.6 Å²	72.6	42%	0.417	35%	0.348	S	S	.	.			trans	-72.3	132.6	-178.3	-167.7	-103.2	0	0	0	111.7	C640 F649 H658	C640-F647 PolarHBondContact N-O 3.45Å; F647-F649 AromaticContact CD1-CD1 3.65Å; F647-F649 HydrophobicContact CD1-CD1 3.65Å; F647-F649 HydrophobicContact CD1-CE1 4.2Å; F647-F649 HydrophobicContact CE1-CB 4.24Å; F647-F649 AromaticContact CE1-CD1 3.61Å; F647-F649 HydrophobicContact CE1-CD1 3.61Å; F647-F649 HydrophobicContact CE1-CE1 4.42Å; F647-F649 HydrophobicContact CE1-CG 4.26Å; F647-H658 WeakPolarHBondContact CB-CE1 3.41Å; F647-H658 HydrophobicContact CD1-CB 4.26Å; F647-H658 AromaticContact CD1-CE1 3.68Å; F647-H658 AromaticContact CD1-CG 3.68Å; F647-H658 AromaticContact CD1-ND1 3.21Å; F647-H658 WeakPolarHBondContact CD1-ND1 3.44Å; F647-H658 HydrophobicContact CE1-CB 4.37Å; F647-H658 AromaticContact CE1-ND1 3.88Å; F647-H658 AromaticContact CG-CE1 3.62Å; F647-H658 AromaticContact CG-ND1 3.54Å
648	T	89.1	Confident	86.2	Confident	21 Å²	21	72.9 Å²	72.9	13%	0.129	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.9	-178	57.7	0	0	0	0	111.1	P629 F638 H639	P629-T648 WeakPolarHBondContact CD-OG1 3.22Å; F638-T648 CarbonylContact O-C 3.03Å; F638-T648 WeakPolarHBondContact O-CA 3.44Å; H639-T648 HydrophobicContact CB-CG2 4.23Å; H639-T648 WeakPolarHBondContact ND1-CG2 3.32Å
649	F	90.7	Very high	85.9	Confident	9 Å²	9	74.4 Å²	74.4	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	154.1	-176	54.4	-85.8	0	0	0	112	F614 F638 F647 N651 D654 M655	F614-F649 AromaticContact CD1-CE1 3.87Å; F614-F649 HydrophobicContact CD1-CE1 3.87Å; F614-F649 AromaticContact CD1-CZ 3.68Å; F614-F649 HydrophobicContact CD1-CZ 3.68Å; F614-F649 AromaticContact CE1-CE1 3.69Å; F614-F649 HydrophobicContact CE1-CE1 3.69Å; F614-F649 AromaticContact CE1-CZ 3.67Å; F614-F649 HydrophobicContact CE1-CZ 3.67Å; F638-F649 HydrophobicContact CB-CD1 4.49Å; F638-F649 HydrophobicContact CB-CD2 3.94Å; F638-F649 HydrophobicContact CB-CE1 4.06Å; F638-F649 HydrophobicContact CB-CE2 3.45Å; F638-F649 VanDerWaalsContact CB-CE2 3.45Å; F638-F649 HydrophobicContact CB-CG 4.43Å; F638-F649 HydrophobicContact CB-CZ 3.52Å; F638-F649 HydrophobicContact CD2-CD2 4.13Å; F638-F649 AromaticContact CD2-CE2 3.9Å; F638-F649 HydrophobicContact CD2-CE2 3.9Å; F638-F649 HydrophobicContact CG-CD2 4.31Å; F638-F649 AromaticContact CG-CE2 3.74Å; F638-F649 HydrophobicContact CG-CE2 3.74Å; F638-F649 HydrophobicContact CG-CZ 4.19Å; F638-F649 PolarHBondContact N-O 2.92Å; F638-F649 PolarHBondContact O-N 2.8Å; F647-F649 AromaticContact CD1-CD1 3.65Å; F647-F649 HydrophobicContact CD1-CD1 3.65Å; F647-F649 HydrophobicContact CD1-CE1 4.2Å; F647-F649 HydrophobicContact CE1-CB 4.24Å; F647-F649 AromaticContact CE1-CD1 3.61Å; F647-F649 HydrophobicContact CE1-CD1 3.61Å; F647-F649 HydrophobicContact CE1-CE1 4.42Å; F647-F649 HydrophobicContact CE1-CG 4.26Å; F649-N651 VanDerWaalsContact CD2-O 3.23Å; F649-N651 WeakPolarHBondContact CD2-O 3.48Å; F649-D654 HydrophobicContact CB-CB 4.34Å; F649-D654 HydrophobicContact CD2-CB 4.01Å; F649-D654 HydrophobicContact CG-CB 4.18Å; F649-M655 HydrophobicContact CE2-CB 3.72Å; F649-M655 HydrophobicContact CE2-CG 4.36Å; F649-M655 HydrophobicContact CZ-CB 3.72Å; F649-M655 HydrophobicContact CZ-CG 3.97Å
650	K	88.1	Confident	85.7	Confident	74 Å²	74	76.7 Å²	76.7	32%	0.322	37%	0.37	S	S	.	.	S	Bend	trans	-87.5	-31.3	177.9	-58.4	-162.5	-174.2	-166.2	0	114.4	F630 E633 T635 H637 F638	F630-K650 HydrophobicContact CD1-CD 4.23Å; F630-K650 HydrophobicContact CD1-CG 4.13Å; F630-K650 HydrophobicContact CD2-CG 4.2Å; F630-K650 HydrophobicContact CE1-CD 4.31Å; F630-K650 VanDerWaalsContact CE1-CE 3.41Å; F630-K650 HydrophobicContact CE1-CG 4.02Å; F630-K650 HydrophobicContact CE2-CG 4.13Å; F630-K650 HydrophobicContact CG-CG 4.2Å; F630-K650 HydrophobicContact CZ-CG 4.02Å; E633-K650 VanDerWaalsContact OE2-CE 3.29Å; E633-K650 WeakPolarHBondContact OE2-CE 3.3Å; E633-K650 IonicContact OE2-NZ 3.64Å; E633-K650 PolarHBondContact OE2-NZ 2.89Å; T635-K650 WeakPolarHBondContact OG1-CE 3.36Å; T635-K650 PolarHBondContact OG1-NZ 2.94Å; H637-K650 HydrophobicContact CB-CG 4.34Å; F638-K650 WeakPolarHBondContact CE2-O 3.34Å
651	N	87.7	Confident	85.3	Confident	93 Å²	93	77.4 Å²	77.4	50%	0.497	37%	0.372	S	S	.	.			trans	-101	126.4	-167.8	-174.1	-13.7	0	0	0	112.6	F649 A653 D654	F649-N651 VanDerWaalsContact CD2-O 3.23Å; F649-N651 WeakPolarHBondContact CD2-O 3.48Å; N651-A653 PolarHBondContact O-N 3.21Å; N651-A653 WeakPolarHBondContact OD1-CB 3.28Å; N651-A653 PolarHBondContact OD1-N 3.43Å; N651-D654 PolarHBondContact O-N 3.11Å
652	K	83.3	Confident	85.1	Confident	138 Å²	138	71.9 Å²	71.9	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-53.7	-26	175.8	-173.7	174.3	-178.7	175	0	113.9	F638 D654 M655	F638-K652 HydrophobicContact CZ-CB 4.43Å; K652-D654 PolarHBondContact O-N 3.16Å; K652-M655 VanDerWaalsContact O-CB 3.27Å; K652-M655 WeakPolarHBondContact O-CB 3.31Å; K652-M655 PolarHBondContact O-N 3.34Å
653	A	85	Confident	85.2	Confident	54 Å²	54	69.1 Å²	69.1	45%	0.446	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-22.1	175.9	0	0	0	0	0	114	N651	N651-A653 PolarHBondContact O-N 3.21Å; N651-A653 WeakPolarHBondContact OD1-CB 3.28Å; N651-A653 PolarHBondContact OD1-N 3.43Å
654	D	86.1	Confident	85.4	Confident	47 Å²	47	68.2 Å²	68.2	25%	0.251	33%	0.333	S	S	.	.	H	α-helix	trans	-87	-20.9	179.6	-62.1	-53.6	0	0	0	112.8	F649 N651 K652 E656 K657 H658	F649-D654 HydrophobicContact CB-CB 4.34Å; F649-D654 HydrophobicContact CD2-CB 4.01Å; F649-D654 HydrophobicContact CG-CB 4.18Å; N651-D654 PolarHBondContact O-N 3.11Å; K652-D654 PolarHBondContact O-N 3.16Å; D654-E656 VanDerWaalsContact C-N 3.34Å; D654-E656 PolarHBondContact O-N 2.9Å; D654-K657 WeakPolarHBondContact O-CB 3.29Å; D654-K657 PolarHBondContact O-N 2.97Å; D654-K657 VanDerWaalsContact O-N 3.12Å; D654-K657 WeakPolarHBondContact OD1-CD 3.25Å; D654-K657 VanDerWaalsContact OD1-CE 3.27Å; D654-K657 WeakPolarHBondContact OD1-CE 3.31Å; D654-K657 IonicContact OD1-NZ 2.85Å; D654-K657 PolarHBondContact OD1-NZ 3.16Å; D654-H658 WeakPolarHBondContact O-CB 3.44Å; D654-H658 PolarHBondContact O-N 3.01Å
655	M	86.3	Confident	85.6	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-52.2	-48.9	173.2	-165.2	-177	86.8	0	0	111.9	F614 F649 K652 H658 K659	F614-M655 HydrophobicContact CD1-CG 4.03Å; F614-M655 HydrophobicContact CD2-CG 3.46Å; F614-M655 VanDerWaalsContact CD2-CG 3.46Å; F614-M655 HydrophobicContact CD2-SD 3.94Å; F614-M655 HydrophobicContact CE1-CG 3.92Å; F614-M655 HydrophobicContact CE2-CG 3.35Å; F614-M655 HydrophobicContact CE2-SD 4.33Å; F614-M655 HydrophobicContact CG-CG 3.82Å; F614-M655 HydrophobicContact CG-SD 4.31Å; F614-M655 HydrophobicContact CZ-CB 4.46Å; F614-M655 HydrophobicContact CZ-CG 3.58Å; F614-M655 WeakPolarHBondContact CZ-O 3.39Å; F649-M655 HydrophobicContact CE2-CB 3.72Å; F649-M655 HydrophobicContact CE2-CG 4.36Å; F649-M655 HydrophobicContact CZ-CB 3.72Å; F649-M655 HydrophobicContact CZ-CG 3.97Å; K652-M655 VanDerWaalsContact O-CB 3.27Å; K652-M655 WeakPolarHBondContact O-CB 3.31Å; K652-M655 PolarHBondContact O-N 3.34Å; M655-H658 PolarHBondContact O-N 3.3Å; M655-K659 WeakPolarHBondContact O-CB 3.4Å; M655-K659 PolarHBondContact O-N 2.83Å
656	E	87.2	Confident	85.5	Confident	90 Å²	90	66 Å²	66	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-68.2	-36.6	179.2	-165.5	71.9	-120.3	0	0	111.8	D654 H658 V660	D654-E656 VanDerWaalsContact C-N 3.34Å; D654-E656 PolarHBondContact O-N 2.9Å; E656-H658 VanDerWaalsContact C-N 3.34Å; E656-V660 WeakPolarHBondContact O-CB 3.41Å; E656-V660 VanDerWaalsContact O-CG2 3.31Å; E656-V660 WeakPolarHBondContact O-CG2 3.48Å; E656-V660 PolarHBondContact O-N 2.91Å
657	K	86.1	Confident	85.5	Confident	135 Å²	135	62.7 Å²	62.7	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-42.4	176	-56.8	176.7	-165.6	166.2	0	110.8	D654 V660 H661	D654-K657 WeakPolarHBondContact O-CB 3.29Å; D654-K657 PolarHBondContact O-N 2.97Å; D654-K657 VanDerWaalsContact O-N 3.12Å; D654-K657 WeakPolarHBondContact OD1-CD 3.25Å; D654-K657 VanDerWaalsContact OD1-CE 3.27Å; D654-K657 WeakPolarHBondContact OD1-CE 3.31Å; D654-K657 IonicContact OD1-NZ 2.85Å; D654-K657 PolarHBondContact OD1-NZ 3.16Å; K657-V660 PolarHBondContact O-N 3.07Å; K657-H661 PolarHBondContact O-N 2.78Å
658	H	89.4	Confident	85.1	Confident	10 Å²	10	60 Å²	60	5%	0.046	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-42.8	179.1	-173.3	73	0	0	0	112	F614 C640 C645 F647 D654 M655 E656 V660 H661 H662	F614-H658 HydrophobicContact CE1-CB 4.45Å; F614-H658 AromaticContact CE1-CD2 3.65Å; F614-H658 HydrophobicContact CZ-CB 4.44Å; F614-H658 AromaticContact CZ-CD2 3.9Å; C640-H658 PolarHBondContact SG-NE2 3.21Å; C640-H658 VanDerWaalsContact SG-NE2 3.43Å; C645-H658 PolarHBondContact SG-CE1 3.36Å; C645-H658 PolarHBondContact SG-NE2 2.76Å; C645-H658 VanDerWaalsContact SG-NE2 3.44Å; F647-H658 WeakPolarHBondContact CB-CE1 3.41Å; F647-H658 HydrophobicContact CD1-CB 4.26Å; F647-H658 AromaticContact CD1-CE1 3.68Å; F647-H658 AromaticContact CD1-CG 3.68Å; F647-H658 AromaticContact CD1-ND1 3.21Å; F647-H658 WeakPolarHBondContact CD1-ND1 3.44Å; F647-H658 HydrophobicContact CE1-CB 4.37Å; F647-H658 AromaticContact CE1-ND1 3.88Å; F647-H658 AromaticContact CG-CE1 3.62Å; F647-H658 AromaticContact CG-ND1 3.54Å; D654-H658 WeakPolarHBondContact O-CB 3.44Å; D654-H658 PolarHBondContact O-N 3.01Å; M655-H658 PolarHBondContact O-N 3.3Å; E656-H658 VanDerWaalsContact C-N 3.34Å; H658-V660 VanDerWaalsContact C-N 3.33Å; H658-V660 PolarHBondContact O-N 3.23Å; H658-H661 WeakPolarHBondContact O-CA 3.44Å; H658-H661 WeakPolarHBondContact O-CB 3.42Å; H658-H661 PolarHBondContact O-N 2.68Å; H658-H662 AromaticContact CD2-CD2 3.95Å; H658-H662 AromaticContact CE1-NE2 3.96Å; H658-H662 AromaticContact NE2-CD2 3.6Å; H658-H662 AromaticContact NE2-CE1 3.9Å; H658-H662 AromaticContact NE2-NE2 3.21Å; H658-H662 PolarHBondContact NE2-NE2 3.48Å; H658-H662 PolarHBondContact O-N 2.72Å
659	K	86.9	Confident	84.7	Confident	45 Å²	45	61 Å²	61	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-55.8	-45	171	-178	179.7	173.4	-174.6	0	112.2	E612 F614 M655 H661 H662 Q663	E612-K659 IonicContact OE1-NZ 3.31Å; E612-K659 PolarHBondContact OE1-NZ 3.02Å; E612-K659 WeakPolarHBondContact OE2-CD 3.48Å; E612-K659 WeakPolarHBondContact OE2-CE 3.45Å; E612-K659 IonicContact OE2-NZ 2.65Å; E612-K659 PolarHBondContact OE2-NZ 2.79Å; F614-K659 HydrophobicContact CZ-CB 4.43Å; M655-K659 WeakPolarHBondContact O-CB 3.4Å; M655-K659 PolarHBondContact O-N 2.83Å; K659-H661 VanDerWaalsContact C-N 3.31Å; K659-H661 PolarHBondContact O-N 3.48Å; K659-H662 PolarHBondContact O-N 3.44Å; K659-Q663 WeakPolarHBondContact O-CB 3.48Å; K659-Q663 PolarHBondContact O-N 3.35Å
660	V	86.5	Confident	84.1	Confident	63 Å²	63	67.9 Å²	67.9	38%	0.382	33%	0.332	S	S	.	.	H	α-helix	trans	-67.2	-28.7	174.7	169.9	0	0	0	0	112.6	E656 K657 H658 K664	E656-V660 WeakPolarHBondContact O-CB 3.41Å; E656-V660 VanDerWaalsContact O-CG2 3.31Å; E656-V660 WeakPolarHBondContact O-CG2 3.48Å; E656-V660 PolarHBondContact O-N 2.91Å; K657-V660 PolarHBondContact O-N 3.07Å; H658-V660 VanDerWaalsContact C-N 3.33Å; H658-V660 PolarHBondContact O-N 3.23Å; V660-K664 WeakPolarHBondContact O-CG 3.27Å; V660-K664 PolarHBondContact O-N 3.47Å; V660-K664 VanDerWaalsContact O-N 3.15Å
661	H	83.8	Confident	83.7	Confident	30 Å²	30	67.1 Å²	67.1	14%	0.139	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-51.3	172.5	168.5	43.8	0	0	0	111.6	K657 H658 K659 Q663 K664 N665 I677 E680	K657-H661 PolarHBondContact O-N 2.78Å; H658-H661 WeakPolarHBondContact O-CA 3.44Å; H658-H661 WeakPolarHBondContact O-CB 3.42Å; H658-H661 PolarHBondContact O-N 2.68Å; K659-H661 VanDerWaalsContact C-N 3.31Å; K659-H661 PolarHBondContact O-N 3.48Å; H661-Q663 VanDerWaalsContact C-N 3.29Å; H661-Q663 PolarHBondContact O-N 2.88Å; H661-K664 WeakPolarHBondContact O-CB 3.48Å; H661-K664 PolarHBondContact O-N 3.29Å; H661-N665 VanDerWaalsContact CE1-CG 3.42Å; H661-N665 PolarHBondContact CE1-ND2 2.86Å; H661-N665 PolarHBondContact CE1-OD1 3.34Å; H661-N665 VanDerWaalsContact CE1-OD1 3.24Å; H661-N665 PolarHBondContact O-N 2.97Å; H661-I677 WeakPolarHBondContact NE2-CD1 3.42Å; H661-E680 IonicContact NE2-OE1 3.22Å
662	H	84.7	Confident	83.4	Confident	26 Å²	26	63.1 Å²	63.1	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-53.6	-48.1	173.5	-83.5	-36	0	0	0	111.5	C640 C645 H658 K659 K664 N665 D666	C640-H662 PolarHBondContact SG-NE2 3.22Å; C640-H662 VanDerWaalsContact SG-NE2 3.36Å; C645-H662 VanDerWaalsContact SG-CE1 3.53Å; H658-H662 AromaticContact CD2-CD2 3.95Å; H658-H662 AromaticContact CE1-NE2 3.96Å; H658-H662 AromaticContact NE2-CD2 3.6Å; H658-H662 AromaticContact NE2-CE1 3.9Å; H658-H662 AromaticContact NE2-NE2 3.21Å; H658-H662 PolarHBondContact NE2-NE2 3.48Å; H658-H662 PolarHBondContact O-N 2.72Å; K659-H662 PolarHBondContact O-N 3.44Å; H662-K664 PolarHBondContact O-N 3.12Å; H662-K664 VanDerWaalsContact O-N 3.13Å; H662-N665 CarbonylContact O-C 3.53Å; H662-N665 WeakPolarHBondContact O-CA 3.34Å; H662-N665 PolarHBondContact O-N 3.25Å; H662-D666 PolarHBondContact O-N 3.33Å
663	Q	85.8	Confident	83.6	Confident	54 Å²	54	56.6 Å²	56.6	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-16.9	-179.7	-166	169.2	57.2	0	0	114.4	K659 H661 R667 I1073	K659-Q663 WeakPolarHBondContact O-CB 3.48Å; K659-Q663 PolarHBondContact O-N 3.35Å; H661-Q663 VanDerWaalsContact C-N 3.29Å; H661-Q663 PolarHBondContact O-N 2.88Å; Q663-R667 WeakPolarHBondContact O-CD 3.42Å; Q663-R667 WeakPolarHBondContact O-CG 3.45Å; Q663-I1073 VanDerWaalsContact OE1-CD1 3.25Å
664	K	82	Confident	83.5	Confident	127 Å²	127	58 Å²	58	55%	0.552	28%	0.278	S	S	*	.	H	α-helix	trans	-81.7	-43.7	166	-78.1	-176.1	176	-172.9	0	112	V660 H661 H662 D666 R667 F668	V660-K664 WeakPolarHBondContact O-CG 3.27Å; V660-K664 PolarHBondContact O-N 3.47Å; V660-K664 VanDerWaalsContact O-N 3.15Å; H661-K664 WeakPolarHBondContact O-CB 3.48Å; H661-K664 PolarHBondContact O-N 3.29Å; H662-K664 PolarHBondContact O-N 3.12Å; H662-K664 VanDerWaalsContact O-N 3.13Å; K664-D666 VanDerWaalsContact C-N 3.31Å; K664-D666 PolarHBondContact O-N 3.03Å; K664-R667 PolarHBondContact O-N 3.09Å; K664-F668 HydrophobicContact CB-CE2 4.27Å; K664-F668 WeakPolarHBondContact O-CD2 3.44Å; K664-F668 WeakPolarHBondContact O-CG 3.38Å; K664-F668 PolarHBondContact O-N 2.96Å
665	N	78.4	Confident	83.3	Confident	27 Å²	27	58.5 Å²	58.5	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-38.6	176.7	-85.1	23.1	0	0	0	112	H661 H662 R667 F668 A669 R675	H661-N665 VanDerWaalsContact CE1-CG 3.42Å; H661-N665 PolarHBondContact CE1-ND2 2.86Å; H661-N665 PolarHBondContact CE1-OD1 3.34Å; H661-N665 VanDerWaalsContact CE1-OD1 3.24Å; H661-N665 PolarHBondContact O-N 2.97Å; H662-N665 CarbonylContact O-C 3.53Å; H662-N665 WeakPolarHBondContact O-CA 3.34Å; H662-N665 PolarHBondContact O-N 3.25Å; N665-R667 VanDerWaalsContact C-N 3.32Å; N665-R667 PolarHBondContact O-N 3.41Å; N665-F668 PolarHBondContact O-N 2.97Å; N665-A669 PolarHBondContact O-N 3.36Å; N665-R675 PolarHBondContact ND2-O 3.21Å
666	D	82.3	Confident	82.9	Confident	57 Å²	57	58.1 Å²	58.1	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-41.6	173.7	-65.5	-26	0	0	0	111.9	R642 H662 K664 A669 Q670	R642-D666 IonicContact CZ-OD1 3.1Å; R642-D666 IonicContact CZ-OD2 3.25Å; R642-D666 IonicContact NH1-OD1 2.92Å; R642-D666 IonicContact NH1-OD2 3.41Å; R642-D666 PolarHBondContact NH1-OD2 3.31Å; R642-D666 VanDerWaalsContact NH2-CG 3.26Å; R642-D666 IonicContact NH2-OD1 2.67Å; R642-D666 PolarHBondContact NH2-OD1 3.33Å; R642-D666 IonicContact NH2-OD2 2.74Å; R642-D666 PolarHBondContact NH2-OD2 3.2Å; R642-D666 VanDerWaalsContact NH2-OD2 3.14Å; H662-D666 PolarHBondContact O-N 3.33Å; K664-D666 VanDerWaalsContact C-N 3.31Å; K664-D666 PolarHBondContact O-N 3.03Å; D666-A669 PolarHBondContact O-N 3.16Å; D666-Q670 WeakPolarHBondContact O-CG 3.39Å; D666-Q670 PolarHBondContact O-N 2.73Å; D666-Q670 VanDerWaalsContact O-N 3.1Å
667	R	82.3	Confident	82.5	Confident	104 Å²	104	56.1 Å²	56.1	39%	0.392	27%	0.266	S	S	.	.	H	α-helix	trans	-71.9	-38.6	176.9	-72.2	173.8	179.5	-165.6	-3	112.7	Q663 K664 N665 A669 Q670 D671	Q663-R667 WeakPolarHBondContact O-CD 3.42Å; Q663-R667 WeakPolarHBondContact O-CG 3.45Å; K664-R667 PolarHBondContact O-N 3.09Å; N665-R667 VanDerWaalsContact C-N 3.32Å; N665-R667 PolarHBondContact O-N 3.41Å; R667-A669 VanDerWaalsContact C-N 3.27Å; R667-A669 PolarHBondContact O-N 2.91Å; R667-Q670 PolarHBondContact O-N 3.36Å; R667-D671 PolarHBondContact O-N 2.9Å
668	F	75.4	Confident	82	Confident	37 Å²	37	55.5 Å²	55.5	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-41.3	171.3	-68.7	-50.4	0	0	0	110.5	K664 N665 Q670 D671 G672 F673 R675 I713	K664-F668 HydrophobicContact CB-CE2 4.27Å; K664-F668 WeakPolarHBondContact O-CD2 3.44Å; K664-F668 WeakPolarHBondContact O-CG 3.38Å; K664-F668 PolarHBondContact O-N 2.96Å; N665-F668 PolarHBondContact O-N 2.97Å; F668-Q670 VanDerWaalsContact C-N 3.33Å; F668-Q670 PolarHBondContact O-N 3.16Å; F668-D671 WeakPolarHBondContact O-CB 3.47Å; F668-D671 PolarHBondContact O-N 2.9Å; F668-G672 PolarHBondContact O-N 2.95Å; F668-G672 VanDerWaalsContact O-N 3.14Å; F668-F673 CarbonylContact C-O 3.58Å; F668-F673 HydrophobicContact CB-CB 4.32Å; F668-F673 WeakPolarHBondContact CB-O 3.33Å; F668-F673 PolarHBondContact O-N 3.08Å; F668-R675 HydrophobicContact CD2-CB 4.2Å; F668-I713 HydrophobicContact CD1-CD1 3.71Å; F668-I713 HydrophobicContact CE1-CD1 3.5Å; F668-I713 VanDerWaalsContact CE1-CD1 3.5Å; F668-I713 HydrophobicContact CZ-CD1 4.33Å
669	A	80.9	Confident	81	Confident	42 Å²	42	60.1 Å²	60.1	35%	0.347	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-40	177.9	0	0	0	0	0	111.9	N665 D666 R667 D671 G672 F673 I699	N665-A669 PolarHBondContact O-N 3.36Å; D666-A669 PolarHBondContact O-N 3.16Å; R667-A669 VanDerWaalsContact C-N 3.27Å; R667-A669 PolarHBondContact O-N 2.91Å; A669-D671 VanDerWaalsContact C-N 3.32Å; A669-D671 PolarHBondContact O-N 3.29Å; A669-G672 PolarHBondContact O-N 2.72Å; A669-F673 WeakPolarHBondContact CA-O 3.28Å; A669-F673 PolarHBondContact N-O 2.88Å; A669-I699 HydrophobicContact CB-CD1 4.25Å
670	Q	77.7	Confident	80.1	Confident	155 Å²	155	60.5 Å²	60.5	72%	0.724	30%	0.298	S	S	*	.	H	α-helix	trans	-62.7	-33.4	172.1	-70.9	173.6	-27.1	0	0	113.6	D666 R667 F668 G672	D666-Q670 WeakPolarHBondContact O-CG 3.39Å; D666-Q670 PolarHBondContact O-N 2.73Å; D666-Q670 VanDerWaalsContact O-N 3.1Å; R667-Q670 PolarHBondContact O-N 3.36Å; F668-Q670 VanDerWaalsContact C-N 3.33Å; F668-Q670 PolarHBondContact O-N 3.16Å; Q670-G672 PolarHBondContact O-N 3.44Å
671	D	79.1	Confident	79.4	Confident	57 Å²	57	63.5 Å²	63.5	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-74.7	-12	172.7	-89.8	-41	0	0	0	113.6	R667 F668 A669 F673 K717	R667-D671 PolarHBondContact O-N 2.9Å; F668-D671 WeakPolarHBondContact O-CB 3.47Å; F668-D671 PolarHBondContact O-N 2.9Å; A669-D671 VanDerWaalsContact C-N 3.32Å; A669-D671 PolarHBondContact O-N 3.29Å; D671-F673 HydrophobicContact CB-CD2 3.86Å; D671-F673 HydrophobicContact CB-CE2 4.28Å; D671-F673 WeakPolarHBondContact O-CD2 3.49Å; D671-F673 WeakPolarHBondContact O-CE2 3.3Å; D671-K717 IonicContact OD1-NZ 2.67Å; D671-K717 PolarHBondContact OD1-NZ 3.34Å
672	G	83.1	Confident	79.4	Confident	10 Å²	10	62.8 Å²	62.8	10%	0.103	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	30.3	-175.2	0	0	0	0	0	114.6	F668 A669 Q670 C698 I699	F668-G672 PolarHBondContact O-N 2.95Å; F668-G672 VanDerWaalsContact O-N 3.14Å; A669-G672 PolarHBondContact O-N 2.72Å; Q670-G672 PolarHBondContact O-N 3.44Å; G672-C698 PolarHBondContact O-SG 3.36Å; G672-I699 WeakPolarHBondContact O-CG1 3.11Å; G672-I699 PolarHBondContact O-N 2.67Å
673	F	87.7	Confident	79	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.1	-178	-59.3	-91	0	0	0	113.5	F668 A669 D671 I696 H697 C698 I707 I713 H716 K717	F668-F673 CarbonylContact C-O 3.58Å; F668-F673 HydrophobicContact CB-CB 4.32Å; F668-F673 WeakPolarHBondContact CB-O 3.33Å; F668-F673 PolarHBondContact O-N 3.08Å; A669-F673 WeakPolarHBondContact CA-O 3.28Å; A669-F673 PolarHBondContact N-O 2.88Å; D671-F673 HydrophobicContact CB-CD2 3.86Å; D671-F673 HydrophobicContact CB-CE2 4.28Å; D671-F673 WeakPolarHBondContact O-CD2 3.49Å; D671-F673 WeakPolarHBondContact O-CE2 3.3Å; F673-I696 HydrophobicContact CB-CG2 3.9Å; F673-H697 CarbonylContact C-O 3.55Å; F673-H697 WeakPolarHBondContact CA-O 3.39Å; F673-H697 WeakPolarHBondContact CB-O 3.1Å; F673-C698 HydrophobicContact CD1-CB 4.32Å; F673-C698 HydrophobicContact CE1-CB 4.26Å; F673-I707 HydrophobicContact CD1-CD1 4.09Å; F673-I707 HydrophobicContact CE1-CD1 3.65Å; F673-I713 HydrophobicContact CD1-CG2 4.31Å; F673-I713 HydrophobicContact CD2-CG2 3.62Å; F673-I713 HydrophobicContact CE1-CG2 4.19Å; F673-I713 HydrophobicContact CE2-CG2 3.5Å; F673-I713 VanDerWaalsContact CE2-CG2 3.5Å; F673-I713 HydrophobicContact CG-CG2 4.04Å; F673-I713 HydrophobicContact CZ-CG2 3.79Å; F673-H716 HydrophobicContact CE1-CB 4.33Å; F673-H716 AromaticContact CE1-CD2 3.6Å; F673-H716 HydrophobicContact CZ-CB 4.4Å; F673-H716 AromaticContact CZ-CD2 3.8Å; F673-K717 HydrophobicContact CE2-CB 4.14Å; F673-K717 HydrophobicContact CE2-CG 4.45Å; F673-K717 HydrophobicContact CZ-CB 4.13Å
674	R	82	Confident	78.6	Confident	85 Å²	85	65.9 Å²	65.9	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.1	176.5	-157.2	165.1	-172.9	-96	15	111.5	Y676 D683 I696 H697 I699	R674-Y676 HydrophobicContact CB-CE2 4.42Å; R674-Y676 HydrophobicContact CG-CE2 4.43Å; R674-Y676 VanDerWaalsContact NH1-CZ 3.29Å; R674-Y676 PolarHBondContact NH1-OH 3.16Å; R674-D683 IonicContact CZ-OD2 2.99Å; R674-D683 IonicContact NH1-OD2 3.36Å; R674-D683 PolarHBondContact NH1-OD2 3.12Å; R674-D683 IonicContact NH2-OD2 3.27Å; R674-D683 PolarHBondContact NH2-OD2 3.48Å; R674-D683 VanDerWaalsContact NH2-OD2 3.14Å; R674-I696 CarbonylContact O-C 3.54Å; R674-I696 WeakPolarHBondContact O-CA 3.38Å; R674-H697 PolarHBondContact N-O 3.42Å; R674-H697 PolarHBondContact O-N 3.33Å; R674-I699 HydrophobicContact CB-CG2 3.77Å
675	R	81.1	Confident	78.2	Confident	57 Å²	57	65 Å²	65	22%	0.215	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.6	-173.3	173.5	173.3	-172	-71.8	-5.3	111.8	N665 F668 H695 I696	N665-R675 PolarHBondContact ND2-O 3.21Å; F668-R675 HydrophobicContact CD2-CB 4.2Å; R675-H695 WeakPolarHBondContact CA-O 3.36Å; R675-I696 HydrophobicContact CB-CB 4.48Å; R675-I696 HydrophobicContact CB-CD1 4.37Å; R675-I696 HydrophobicContact CB-CG1 3.92Å; R675-I696 HydrophobicContact CB-CG2 4.24Å; R675-I696 HydrophobicContact CG-CD1 4.28Å; R675-I696 HydrophobicContact CG-CG1 3.87Å
676	Y	79	Confident	78	Confident	9 Å²	9	71.5 Å²	71.5	4%	0.035	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.8	175.2	-56	-88.2	0	0	0	110.5	R674 N681 C682 D683 F684 N694 H695 H697	R674-Y676 HydrophobicContact CB-CE2 4.42Å; R674-Y676 HydrophobicContact CG-CE2 4.43Å; R674-Y676 VanDerWaalsContact NH1-CZ 3.29Å; R674-Y676 PolarHBondContact NH1-OH 3.16Å; Y676-N681 WeakPolarHBondContact CD1-O 3.49Å; Y676-C682 HydrophobicContact CD1-CB 4.41Å; Y676-C682 HydrophobicContact CD2-CB 4.29Å; Y676-C682 HydrophobicContact CE2-CB 4.44Å; Y676-C682 WeakPolarHBondContact CE2-SG 3.26Å; Y676-C682 HydrophobicContact CG-CB 4.28Å; Y676-D683 HydrophobicContact CE1-CB 4.32Å; Y676-F684 HydrophobicContact CE2-CD2 4.39Å; Y676-N694 WeakPolarHBondContact O-CA 3.29Å; Y676-H695 AromaticContact CD2-NE2 3.5Å; Y676-H695 AromaticContact CG-NE2 3.94Å; Y676-H695 PolarHBondContact N-O 3.39Å; Y676-H695 PolarHBondContact O-N 2.86Å; Y676-H697 AromaticContact CD2-CD2 3.9Å; Y676-H697 AromaticContact CE2-CD2 3.64Å
677	I	78.5	Confident	77.9	Confident	49 Å²	49	69.4 Å²	69.4	25%	0.251	36%	0.358	S	S	.	.			trans	-88.5	152.5	169.1	-60.7	172.8	0	0	0	108.6	H661 C679 E680 N694	H661-I677 WeakPolarHBondContact NE2-CD1 3.42Å; I677-C679 PolarHBondContact O-N 3.32Å; I677-E680 HydrophobicContact CB-CG 4.23Å; I677-E680 WeakPolarHBondContact CB-OE2 3.33Å; I677-E680 WeakPolarHBondContact CG1-OE2 3.46Å; I677-E680 PolarHBondContact N-OE2 3.02Å; I677-E680 WeakPolarHBondContact O-CB 3.41Å; I677-E680 PolarHBondContact O-N 3.1Å; I677-E680 VanDerWaalsContact O-O 3.14Å; I677-N694 WeakPolarHBondContact CA-OD1 3.46Å
678	K	76.6	Confident	77.8	Confident	121 Å²	121	72.2 Å²	72.2	53%	0.526	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-8.8	177	79.2	141.6	-159.9	167.2	0	116.2	G691 N694	K678-G691 CarbonylContact O-C 3.51Å; K678-G691 WeakPolarHBondContact O-CA 3.29Å; K678-N694 PolarHBondContact N-OD1 3.1Å
679	C	68.2	Low	78.1	Confident	107 Å²	107	74.3 Å²	74.3	72%	0.723	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	6.1	176.8	-58.5	0	0	0	0	112.2	I677	I677-C679 PolarHBondContact O-N 3.32Å
680	E	66.6	Low	78.1	Confident	54 Å²	54	74.3 Å²	74.3	25%	0.252	38%	0.381	S	S	.	.	S	Bend	trans	-118.9	135.3	178	-60.8	169	149.3	0	0	107.1	H661 I677	H661-E680 IonicContact NE2-OE1 3.22Å; I677-E680 HydrophobicContact CB-CG 4.23Å; I677-E680 WeakPolarHBondContact CB-OE2 3.33Å; I677-E680 WeakPolarHBondContact CG1-OE2 3.46Å; I677-E680 PolarHBondContact N-OE2 3.02Å; I677-E680 WeakPolarHBondContact O-CB 3.41Å; I677-E680 PolarHBondContact O-N 3.1Å; I677-E680 VanDerWaalsContact O-O 3.14Å
681	N	73.2	Confident	78	Confident	126 Å²	126	68.7 Å²	68.7	67%	0.674	36%	0.364	S	S	*	.			trans	-70.3	146.6	170.3	-70.6	21.4	0	0	0	108.6	Y676	Y676-N681 WeakPolarHBondContact CD1-O 3.49Å
682	C	83.3	Confident	78	Confident	14 Å²	14	70.7 Å²	70.7	10%	0.095	38%	0.378	C	S	.	.			trans	-79.6	131.1	172.1	-174.9	0	0	0	0	110.4	Y676 F684 C687 S690 H697	Y676-C682 HydrophobicContact CD1-CB 4.41Å; Y676-C682 HydrophobicContact CD2-CB 4.29Å; Y676-C682 HydrophobicContact CE2-CB 4.44Å; Y676-C682 WeakPolarHBondContact CE2-SG 3.26Å; Y676-C682 HydrophobicContact CG-CB 4.28Å; C682-F684 PolarHBondContact O-N 2.9Å; C682-F684 PolarHBondContact SG-N 2.93Å; C682-F684 VanDerWaalsContact SG-N 3.44Å; C682-C687 HydrophobicContact CB-CB 3.91Å; C682-S690 PolarHBondContact N-OG 2.91Å; C682-H697 PolarHBondContact SG-NE2 3.35Å
683	D	76.6	Confident	78.1	Confident	95 Å²	95	73.4 Å²	73.4	51%	0.508	39%	0.39	S	S	.	.	S	Bend	trans	-79.4	-1.5	177.9	-58.5	-26.2	0	0	0	112.7	R674 Y676	R674-D683 IonicContact CZ-OD2 2.99Å; R674-D683 IonicContact NH1-OD2 3.36Å; R674-D683 PolarHBondContact NH1-OD2 3.12Å; R674-D683 IonicContact NH2-OD2 3.27Å; R674-D683 PolarHBondContact NH2-OD2 3.48Å; R674-D683 VanDerWaalsContact NH2-OD2 3.14Å; Y676-D683 HydrophobicContact CE1-CB 4.32Å
684	F	76.7	Confident	78	Confident	51 Å²	51	76.9 Å²	76.9	22%	0.224	41%	0.408	C	S	.	.	S	Bend	trans	-86.5	137.7	172.7	-86.4	-98	0	0	0	111.8	Y676 C682 C687 H697 C698 I699	Y676-F684 HydrophobicContact CE2-CD2 4.39Å; C682-F684 PolarHBondContact O-N 2.9Å; C682-F684 PolarHBondContact SG-N 2.93Å; C682-F684 VanDerWaalsContact SG-N 3.44Å; F684-C687 HydrophobicContact CB-CB 4.4Å; F684-H697 AromaticContact CD1-ND1 3.95Å; F684-H697 HydrophobicContact CD2-CB 3.86Å; F684-H697 AromaticContact CD2-CD2 3.89Å; F684-H697 AromaticContact CD2-CG 3.55Å; F684-H697 AromaticContact CD2-ND1 3.69Å; F684-H697 HydrophobicContact CE2-CB 3.45Å; F684-H697 VanDerWaalsContact CE2-CB 3.45Å; F684-H697 AromaticContact CE2-CG 3.71Å; F684-H697 AromaticContact CG-CE1 3.99Å; F684-H697 AromaticContact CG-ND1 3.64Å; F684-H697 HydrophobicContact CZ-CB 3.89Å; F684-C698 VanDerWaalsContact CZ-O 3.28Å; F684-C698 WeakPolarHBondContact CZ-O 3.46Å; F684-I699 HydrophobicContact CE2-CG2 3.78Å; F684-I699 HydrophobicContact CZ-CG2 3.78Å
685	P	73.1	Confident	78.3	Confident	109 Å²	109	72.8 Å²	72.8	71%	0.708	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	149.2	170.7	27.6	-34.5	0	0	0	111.3	C687	P685-C687 PolarHBondContact O-N 2.92Å
686	D	74.4	Confident	78.7	Confident	162 Å²	162	70.2 Å²	70.2	87%	0.866	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	22.3	176.7	-58.4	-28.7	0	0	0	117	Q688	D686-Q688 PolarHBondContact O-N 3.23Å
687	C	79.6	Confident	79.1	Confident	14 Å²	14	70.2 Å²	70.2	10%	0.095	38%	0.384	C	S	.	.			trans	-70.1	97.4	175	-174.4	0	0	0	0	111.9	C682 F684 P685 Y689 S690 H695 H697	C682-C687 HydrophobicContact CB-CB 3.91Å; F684-C687 HydrophobicContact CB-CB 4.4Å; P685-C687 PolarHBondContact O-N 2.92Å; C687-Y689 PolarHBondContact O-N 2.94Å; C687-S690 VanDerWaalsContact O-CB 3.22Å; C687-S690 WeakPolarHBondContact O-CB 3.37Å; C687-S690 PolarHBondContact O-N 3.48Å; C687-H695 PolarHBondContact SG-NE2 3.45Å; C687-H695 VanDerWaalsContact SG-NE2 3.4Å; C687-H697 WeakPolarHBondContact CB-CE1 3.47Å; C687-H697 WeakPolarHBondContact CB-NE2 3.34Å; C687-H697 PolarHBondContact SG-CE1 2.82Å; C687-H697 PolarHBondContact SG-NE2 3.29Å
688	Q	81	Confident	79.7	Confident	162 Å²	162	67.9 Å²	67.9	76%	0.757	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-14.1	176.3	-60.6	-179.8	-5.6	0	0	115.1	D686	D686-Q688 PolarHBondContact O-N 3.23Å
689	Y	81.4	Confident	80.2	Confident	82 Å²	82	65.4 Å²	65.4	32%	0.322	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-4.6	-178.2	-53.3	-65	0	0	0	113.8	C687 G691 V692 I693 H695 V706 H708	C687-Y689 PolarHBondContact O-N 2.94Å; Y689-G691 PolarHBondContact O-N 3.45Å; Y689-V692 PolarHBondContact O-N 3.36Å; Y689-I693 HydrophobicContact CD1-CD1 3.53Å; Y689-I693 HydrophobicContact CD1-CG1 3.81Å; Y689-I693 HydrophobicContact CE1-CD1 4.12Å; Y689-I693 HydrophobicContact CG-CD1 4.18Å; Y689-I693 HydrophobicContact CG-CG1 4.16Å; Y689-I693 PolarHBondContact O-N 3.03Å; Y689-H695 WeakPolarHBondContact CB-ND1 3.35Å; Y689-H695 PolarHBondContact O-CE1 3.36Å; Y689-H695 PolarHBondContact O-ND1 2.78Å; Y689-V706 HydrophobicContact CD2-CB 4.4Å; Y689-V706 HydrophobicContact CD2-CG1 3.89Å; Y689-V706 HydrophobicContact CE2-CB 4.32Å; Y689-V706 HydrophobicContact CE2-CG1 4.24Å; Y689-H708 AromaticContact CD1-NE2 2.92Å; Y689-H708 WeakPolarHBondContact CD1-NE2 3Å; Y689-H708 AromaticContact CD2-NE2 3.03Å; Y689-H708 WeakPolarHBondContact CD2-NE2 3.47Å; Y689-H708 AromaticContact CE1-NE2 2.69Å; Y689-H708 WeakPolarHBondContact CE1-NE2 3.38Å; Y689-H708 AromaticContact CE2-NE2 2.81Å; Y689-H708 WeakPolarHBondContact CE2-NE2 3.44Å; Y689-H708 AromaticContact CG-NE2 3.07Å; Y689-H708 AromaticContact CZ-NE2 2.64Å; Y689-H708 PolarHBondContact OH-NE2 3.1Å
690	S	81.7	Confident	80.9	Confident	42 Å²	42	62.9 Å²	62.9	29%	0.294	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	125	176.4	-168.9	0	0	0	0	111.2	C682 C687 V692	C682-S690 PolarHBondContact N-OG 2.91Å; C687-S690 VanDerWaalsContact O-CB 3.22Å; C687-S690 WeakPolarHBondContact O-CB 3.37Å; C687-S690 PolarHBondContact O-N 3.48Å; S690-V692 PolarHBondContact O-N 2.96Å
691	G	75.1	Confident	81.4	Confident	36 Å²	36	65.8 Å²	65.8	37%	0.371	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-17.2	-176.3	0	0	0	0	0	116.8	K678 Y689	K678-G691 CarbonylContact O-C 3.51Å; K678-G691 WeakPolarHBondContact O-CA 3.29Å; Y689-G691 PolarHBondContact O-N 3.45Å
692	V	80.2	Confident	81.6	Confident	99 Å²	99	63.8 Å²	63.8	60%	0.6	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-55.5	-176.3	-166.1	0	0	0	0	111.6	Y689 S690	Y689-V692 PolarHBondContact O-N 3.36Å; S690-V692 PolarHBondContact O-N 2.96Å
693	I	83.7	Confident	81.8	Confident	67 Å²	67	64.2 Å²	64.2	34%	0.344	37%	0.374	S	S	.	.	S	Bend	trans	-137.1	158.1	-175.7	63.4	172	0	0	0	112.3	Y689 H695 H708	Y689-I693 HydrophobicContact CD1-CD1 3.53Å; Y689-I693 HydrophobicContact CD1-CG1 3.81Å; Y689-I693 HydrophobicContact CE1-CD1 4.12Å; Y689-I693 HydrophobicContact CG-CD1 4.18Å; Y689-I693 HydrophobicContact CG-CG1 4.16Å; Y689-I693 PolarHBondContact O-N 3.03Å; I693-H695 PolarHBondContact O-N 3.37Å; I693-H695 PolarHBondContact O-ND1 2.66Å; I693-H708 WeakPolarHBondContact CD1-CE1 3.39Å
694	N	85.1	Confident	82.1	Confident	73 Å²	73	65.8 Å²	65.8	39%	0.39	38%	0.382	S	S	.	.			trans	-67.4	125.1	169.7	-51.9	-54.1	0	0	0	109.3	Y676 I677 K678	Y676-N694 WeakPolarHBondContact O-CA 3.29Å; I677-N694 WeakPolarHBondContact CA-OD1 3.46Å; K678-N694 PolarHBondContact N-OD1 3.1Å
695	H	89.6	Confident	82.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.7	-176	63.7	-85.4	0	0	0	111.1	R675 Y676 C687 Y689 I693 H697 V706	R675-H695 WeakPolarHBondContact CA-O 3.36Å; Y676-H695 AromaticContact CD2-NE2 3.5Å; Y676-H695 AromaticContact CG-NE2 3.94Å; Y676-H695 PolarHBondContact N-O 3.39Å; Y676-H695 PolarHBondContact O-N 2.86Å; C687-H695 PolarHBondContact SG-NE2 3.45Å; C687-H695 VanDerWaalsContact SG-NE2 3.4Å; Y689-H695 WeakPolarHBondContact CB-ND1 3.35Å; Y689-H695 PolarHBondContact O-CE1 3.36Å; Y689-H695 PolarHBondContact O-ND1 2.78Å; I693-H695 PolarHBondContact O-N 3.37Å; I693-H695 PolarHBondContact O-ND1 2.66Å; H695-H697 AromaticContact CD2-CD2 3.51Å; H695-H697 AromaticContact CD2-NE2 3Å; H695-H697 PolarHBondContact CD2-NE2 2.94Å; H695-H697 AromaticContact CE1-NE2 3.97Å; H695-H697 AromaticContact NE2-CD2 3.77Å; H695-H697 AromaticContact NE2-NE2 2.76Å; H695-H697 PolarHBondContact NE2-NE2 3.23Å; H695-V706 HydrophobicContact CB-CG1 4.04Å
696	I	88.4	Confident	83.1	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	117.4	-171.9	-46.9	-176	0	0	0	108.9	F673 R674 R675 I707 I713	F673-I696 HydrophobicContact CB-CG2 3.9Å; R674-I696 CarbonylContact O-C 3.54Å; R674-I696 WeakPolarHBondContact O-CA 3.38Å; R675-I696 HydrophobicContact CB-CB 4.48Å; R675-I696 HydrophobicContact CB-CD1 4.37Å; R675-I696 HydrophobicContact CB-CG1 3.92Å; R675-I696 HydrophobicContact CB-CG2 4.24Å; R675-I696 HydrophobicContact CG-CD1 4.28Å; R675-I696 HydrophobicContact CG-CG1 3.87Å; I696-I707 HydrophobicContact CB-CB 4.28Å; I696-I707 WeakPolarHBondContact CB-O 3.14Å; I696-I707 PolarHBondContact N-O 2.83Å; I696-I707 WeakPolarHBondContact O-CA 2.98Å; I696-I707 WeakPolarHBondContact O-CB 3.48Å; I696-I707 PolarHBondContact O-N 2.83Å; I696-I713 HydrophobicContact CD1-CD1 3.85Å; I696-I713 HydrophobicContact CD1-CG1 4.45Å; I696-I713 HydrophobicContact CG2-CD1 4.36Å
697	H	88.5	Confident	83.7	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	151.6	173.2	-71.9	-100.3	0	0	0	111	F673 R674 Y676 C682 F684 C687 H695	F673-H697 CarbonylContact C-O 3.55Å; F673-H697 WeakPolarHBondContact CA-O 3.39Å; F673-H697 WeakPolarHBondContact CB-O 3.1Å; R674-H697 PolarHBondContact N-O 3.42Å; R674-H697 PolarHBondContact O-N 3.33Å; Y676-H697 AromaticContact CD2-CD2 3.9Å; Y676-H697 AromaticContact CE2-CD2 3.64Å; C682-H697 PolarHBondContact SG-NE2 3.35Å; F684-H697 AromaticContact CD1-ND1 3.95Å; F684-H697 HydrophobicContact CD2-CB 3.86Å; F684-H697 AromaticContact CD2-CD2 3.89Å; F684-H697 AromaticContact CD2-CG 3.55Å; F684-H697 AromaticContact CD2-ND1 3.69Å; F684-H697 HydrophobicContact CE2-CB 3.45Å; F684-H697 VanDerWaalsContact CE2-CB 3.45Å; F684-H697 AromaticContact CE2-CG 3.71Å; F684-H697 AromaticContact CG-CE1 3.99Å; F684-H697 AromaticContact CG-ND1 3.64Å; F684-H697 HydrophobicContact CZ-CB 3.89Å; C687-H697 WeakPolarHBondContact CB-CE1 3.47Å; C687-H697 WeakPolarHBondContact CB-NE2 3.34Å; C687-H697 PolarHBondContact SG-CE1 2.82Å; C687-H697 PolarHBondContact SG-NE2 3.29Å; H695-H697 AromaticContact CD2-CD2 3.51Å; H695-H697 AromaticContact CD2-NE2 3Å; H695-H697 PolarHBondContact CD2-NE2 2.94Å; H695-H697 AromaticContact CE1-NE2 3.97Å; H695-H697 AromaticContact NE2-CD2 3.77Å; H695-H697 AromaticContact NE2-NE2 2.76Å; H695-H697 PolarHBondContact NE2-NE2 3.23Å
698	C	90.7	Very high	83.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	146.7	153.5	-162.8	0	0	0	0	109	G672 F673 F684 C703 Y705 H720	G672-C698 PolarHBondContact O-SG 3.36Å; F673-C698 HydrophobicContact CD1-CB 4.32Å; F673-C698 HydrophobicContact CE1-CB 4.26Å; F684-C698 VanDerWaalsContact CZ-O 3.28Å; F684-C698 WeakPolarHBondContact CZ-O 3.46Å; C698-C703 WeakPolarHBondContact CB-O 3.39Å; C698-Y705 PolarHBondContact N-O 3.05Å; C698-Y705 VanDerWaalsContact N-O 3.13Å; C698-H720 PolarHBondContact SG-NE2 3.41Å; C698-H720 VanDerWaalsContact SG-NE2 3.37Å
699	I	86.9	Confident	83.8	Confident	69 Å²	69	55.9 Å²	55.9	35%	0.354	32%	0.323	S	S	.	.			trans	-123.9	18.9	172.9	56.7	164.9	0	0	0	111.7	A669 G672 R674 F684	A669-I699 HydrophobicContact CB-CD1 4.25Å; G672-I699 WeakPolarHBondContact O-CG1 3.11Å; G672-I699 PolarHBondContact O-N 2.67Å; R674-I699 HydrophobicContact CB-CG2 3.77Å; F684-I699 HydrophobicContact CE2-CG2 3.78Å; F684-I699 HydrophobicContact CZ-CG2 3.78Å
700	R	82.5	Confident	83.7	Confident	53 Å²	53	55.1 Å²	55.1	20%	0.2	33%	0.329	C	S	.	.	S	Bend	trans	-76.4	139.8	166.3	-64.6	-163	-171.9	-172.5	11.3	108.7	C703 D721	R700-C703 PolarHBondContact O-N 3.34Å; R700-D721 IonicContact CZ-OD1 3.32Å; R700-D721 VanDerWaalsContact CZ-OD1 3.32Å; R700-D721 IonicContact NH1-OD1 2.69Å; R700-D721 PolarHBondContact NH1-OD1 3.34Å; R700-D721 IonicContact NH2-OD1 3.82Å; R700-D721 PolarHBondContact NH2-OD1 2.76Å
701	P	77.3	Confident	83.7	Confident	116 Å²	116	56.8 Å²	56.8	75%	0.753	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	139.9	-178.5	23.5	-33.7	0	0	0	111.4
702	G	78.5	Confident	84.1	Confident	83 Å²	83	59.4 Å²	59.4	86%	0.856	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	29.8	-177.4	0	0	0	0	0	115
703	C	85.8	Confident	84.3	Confident	24 Å²	24	55 Å²	55	16%	0.162	32%	0.317	C	S	.	.			trans	-148.9	94.2	177.6	-160.6	0	0	0	0	115.4	C698 R700 Y705 H720	C698-C703 WeakPolarHBondContact CB-O 3.39Å; R700-C703 PolarHBondContact O-N 3.34Å; C703-Y705 PolarHBondContact O-N 3.39Å; C703-Y705 VanDerWaalsContact O-N 3.11Å; C703-H720 VanDerWaalsContact CB-CE1 3.47Å; C703-H720 WeakPolarHBondContact CB-CE1 3.44Å; C703-H720 VanDerWaalsContact SG-CE1 3.54Å
704	D	83.4	Confident	84.3	Confident	127 Å²	127	56.6 Å²	56.6	68%	0.679	32%	0.324	S	S	*	.			trans	-85.5	27	-177.6	-41.1	-71.7	0	0	0	113.1	V706	D704-V706 PolarHBondContact O-N 3.49Å
705	Y	85.3	Confident	84.3	Confident	127 Å²	127	56.6 Å²	56.6	50%	0.498	33%	0.329	S	S	.	.			trans	-80.1	116.9	-170.2	-166	-98.9	0	0	0	112.3	C698 C703 I707 H716	C698-Y705 PolarHBondContact N-O 3.05Å; C698-Y705 VanDerWaalsContact N-O 3.13Å; C703-Y705 PolarHBondContact O-N 3.39Å; C703-Y705 VanDerWaalsContact O-N 3.11Å; Y705-I707 HydrophobicContact CD1-CD1 4.28Å; Y705-I707 HydrophobicContact CD1-CG1 3.74Å; Y705-I707 HydrophobicContact CE1-CG1 3.9Å; Y705-H716 WeakPolarHBondContact CB-CE1 3.43Å; Y705-H716 AromaticContact CD1-CE1 3.43Å; Y705-H716 VanDerWaalsContact CD1-CE1 3.43Å; Y705-H716 WeakPolarHBondContact CD1-CE1 3.47Å; Y705-H716 AromaticContact CD1-ND1 3.15Å; Y705-H716 WeakPolarHBondContact CD1-ND1 3.44Å; Y705-H716 AromaticContact CE1-ND1 3.75Å; Y705-H716 AromaticContact CG-CE1 3.52Å; Y705-H716 AromaticContact CG-ND1 3.71Å
706	V	86.4	Confident	84.2	Confident	32 Å²	32	57.2 Å²	57.2	19%	0.194	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138	178.7	-160.6	0	0	0	0	111.6	Y689 H695 D704	Y689-V706 HydrophobicContact CD2-CB 4.4Å; Y689-V706 HydrophobicContact CD2-CG1 3.89Å; Y689-V706 HydrophobicContact CE2-CB 4.32Å; Y689-V706 HydrophobicContact CE2-CG1 4.24Å; H695-V706 HydrophobicContact CB-CG1 4.04Å; D704-V706 PolarHBondContact O-N 3.49Å
707	I	86.4	Confident	84.1	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.5	-174.3	-64.1	178.9	0	0	0	109.5	F673 I696 Y705 S709 Q712 I713 H716	F673-I707 HydrophobicContact CD1-CD1 4.09Å; F673-I707 HydrophobicContact CE1-CD1 3.65Å; I696-I707 HydrophobicContact CB-CB 4.28Å; I696-I707 WeakPolarHBondContact CB-O 3.14Å; I696-I707 PolarHBondContact N-O 2.83Å; I696-I707 WeakPolarHBondContact O-CA 2.98Å; I696-I707 WeakPolarHBondContact O-CB 3.48Å; I696-I707 PolarHBondContact O-N 2.83Å; Y705-I707 HydrophobicContact CD1-CD1 4.28Å; Y705-I707 HydrophobicContact CD1-CG1 3.74Å; Y705-I707 HydrophobicContact CE1-CG1 3.9Å; I707-S709 WeakPolarHBondContact CG2-O 3.48Å; I707-Q712 HydrophobicContact CG2-CB 3.53Å; I707-I713 HydrophobicContact CG2-CG1 4.34Å; I707-H716 HydrophobicContact CD1-CB 3.64Å
708	H	81.5	Confident	83.9	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.417	37%	0.367	S	S	.	.	S	Bend	trans	-92.5	-18	-178.4	-60.7	-63.4	0	0	0	114.1	Y689 I693	Y689-H708 AromaticContact CD1-NE2 2.92Å; Y689-H708 WeakPolarHBondContact CD1-NE2 3Å; Y689-H708 AromaticContact CD2-NE2 3.03Å; Y689-H708 WeakPolarHBondContact CD2-NE2 3.47Å; Y689-H708 AromaticContact CE1-NE2 2.69Å; Y689-H708 WeakPolarHBondContact CE1-NE2 3.38Å; Y689-H708 AromaticContact CE2-NE2 2.81Å; Y689-H708 WeakPolarHBondContact CE2-NE2 3.44Å; Y689-H708 AromaticContact CG-NE2 3.07Å; Y689-H708 AromaticContact CZ-NE2 2.64Å; Y689-H708 PolarHBondContact OH-NE2 3.1Å; I693-H708 WeakPolarHBondContact CD1-CE1 3.39Å
709	S	80.4	Confident	83.6	Confident	39 Å²	39	71.6 Å²	71.6	27%	0.273	39%	0.391	S	S	.	.	S	Bend	trans	-136.2	143.4	-176	68	0	0	0	0	113.5	I707 S711 Q712	I707-S709 WeakPolarHBondContact CG2-O 3.48Å; S709-S711 PolarHBondContact O-N 3.49Å; S709-S711 VanDerWaalsContact O-N 3.15Å; S709-S711 PolarHBondContact OG-OG 3.01Å; S709-S711 VanDerWaalsContact OG-OG 3.11Å; S709-Q712 VanDerWaalsContact N-OE1 3.11Å; S709-Q712 PolarHBondContact O-N 3.42Å; S709-Q712 VanDerWaalsContact O-N 3.1Å; S709-Q712 VanDerWaalsContact OG-CG 3.31Å; S709-Q712 WeakPolarHBondContact OG-CG 3.25Å; S709-Q712 PolarHBondContact OG-OE1 3.4Å
710	S	80.6	Confident	83.4	Confident	66 Å²	66	69.9 Å²	69.9	46%	0.462	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-17.6	178.8	-57.8	0	0	0	0	114
711	S	81.8	Confident	83.1	Confident	77 Å²	77	70.3 Å²	70.3	54%	0.538	39%	0.387	S	S	.	.	H	α-helix	trans	-70.7	-33.3	172.9	33.5	0	0	0	0	113	S709 I713	S709-S711 PolarHBondContact O-N 3.49Å; S709-S711 VanDerWaalsContact O-N 3.15Å; S709-S711 PolarHBondContact OG-OG 3.01Å; S709-S711 VanDerWaalsContact OG-OG 3.11Å; S711-I713 VanDerWaalsContact C-N 3.34Å
712	Q	83.9	Confident	82.9	Confident	91 Å²	91	72.5 Å²	72.5	43%	0.425	38%	0.38	S	S	.	.	H	α-helix	trans	-73	-24.2	178.6	-76	161.7	-38.6	0	0	113.2	I707 S709 M714 S715 H716	I707-Q712 HydrophobicContact CG2-CB 3.53Å; S709-Q712 VanDerWaalsContact N-OE1 3.11Å; S709-Q712 PolarHBondContact O-N 3.42Å; S709-Q712 VanDerWaalsContact O-N 3.1Å; S709-Q712 VanDerWaalsContact OG-CG 3.31Å; S709-Q712 WeakPolarHBondContact OG-CG 3.25Å; S709-Q712 PolarHBondContact OG-OE1 3.4Å; Q712-M714 VanDerWaalsContact C-N 3.31Å; Q712-M714 PolarHBondContact O-N 2.9Å; Q712-S715 PolarHBondContact O-N 3.01Å; Q712-S715 VanDerWaalsContact O-N 3.15Å; Q712-H716 PolarHBondContact O-N 3.23Å
713	I	83.9	Confident	82.2	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-51.1	-48.4	179.3	-64	177.8	0	0	0	111.3	F668 F673 I696 I707 S711 S715 H716 K717	F668-I713 HydrophobicContact CD1-CD1 3.71Å; F668-I713 HydrophobicContact CE1-CD1 3.5Å; F668-I713 VanDerWaalsContact CE1-CD1 3.5Å; F668-I713 HydrophobicContact CZ-CD1 4.33Å; F673-I713 HydrophobicContact CD1-CG2 4.31Å; F673-I713 HydrophobicContact CD2-CG2 3.62Å; F673-I713 HydrophobicContact CE1-CG2 4.19Å; F673-I713 HydrophobicContact CE2-CG2 3.5Å; F673-I713 VanDerWaalsContact CE2-CG2 3.5Å; F673-I713 HydrophobicContact CG-CG2 4.04Å; F673-I713 HydrophobicContact CZ-CG2 3.79Å; I696-I713 HydrophobicContact CD1-CD1 3.85Å; I696-I713 HydrophobicContact CD1-CG1 4.45Å; I696-I713 HydrophobicContact CG2-CD1 4.36Å; I707-I713 HydrophobicContact CG2-CG1 4.34Å; S711-I713 VanDerWaalsContact C-N 3.34Å; I713-S715 VanDerWaalsContact C-N 3.34Å; I713-S715 PolarHBondContact O-N 3.06Å; I713-H716 PolarHBondContact O-N 3.49Å; I713-K717 WeakPolarHBondContact O-CB 3.23Å; I713-K717 PolarHBondContact O-N 3.25Å
714	M	83.5	Confident	80.7	Confident	99 Å²	99	76.9 Å²	76.9	49%	0.488	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-39.4	-176.9	-167.4	61.3	61.1	0	0	112.1	Q712 H716 R718	Q712-M714 VanDerWaalsContact C-N 3.31Å; Q712-M714 PolarHBondContact O-N 2.9Å; M714-H716 VanDerWaalsContact C-N 3.34Å; M714-R718 WeakPolarHBondContact O-CB 3.42Å; M714-R718 VanDerWaalsContact O-CG 3.25Å; M714-R718 WeakPolarHBondContact O-CG 3.36Å; M714-R718 PolarHBondContact O-N 3.05Å; M714-R718 VanDerWaalsContact O-N 3.15Å
715	S	85.2	Confident	79.1	Confident	73 Å²	73	76.3 Å²	76.3	51%	0.51	38%	0.379	S	S	.	.	H	α-helix	trans	-68.3	-34	177	-60.4	0	0	0	0	112.3	Q712 I713	Q712-S715 PolarHBondContact O-N 3.01Å; Q712-S715 VanDerWaalsContact O-N 3.15Å; I713-S715 VanDerWaalsContact C-N 3.34Å; I713-S715 PolarHBondContact O-N 3.06Å
716	H	88.2	Confident	77	Confident	13 Å²	13	74 Å²	74	6%	0.06	38%	0.381	C	S	.	.	H	α-helix	trans	-75.1	-44.4	175.4	-172.1	89.3	0	0	0	112.2	F673 Y705 I707 Q712 I713 M714 R718 K719 H720	F673-H716 HydrophobicContact CE1-CB 4.33Å; F673-H716 AromaticContact CE1-CD2 3.6Å; F673-H716 HydrophobicContact CZ-CB 4.4Å; F673-H716 AromaticContact CZ-CD2 3.8Å; Y705-H716 WeakPolarHBondContact CB-CE1 3.43Å; Y705-H716 AromaticContact CD1-CE1 3.43Å; Y705-H716 VanDerWaalsContact CD1-CE1 3.43Å; Y705-H716 WeakPolarHBondContact CD1-CE1 3.47Å; Y705-H716 AromaticContact CD1-ND1 3.15Å; Y705-H716 WeakPolarHBondContact CD1-ND1 3.44Å; Y705-H716 AromaticContact CE1-ND1 3.75Å; Y705-H716 AromaticContact CG-CE1 3.52Å; Y705-H716 AromaticContact CG-ND1 3.71Å; I707-H716 HydrophobicContact CD1-CB 3.64Å; Q712-H716 PolarHBondContact O-N 3.23Å; I713-H716 PolarHBondContact O-N 3.49Å; M714-H716 VanDerWaalsContact C-N 3.34Å; H716-R718 VanDerWaalsContact C-N 3.28Å; H716-R718 PolarHBondContact O-N 2.96Å; H716-K719 WeakPolarHBondContact O-CA 3.35Å; H716-K719 VanDerWaalsContact O-CB 3.31Å; H716-K719 WeakPolarHBondContact O-CB 3.45Å; H716-K719 PolarHBondContact O-N 3.02Å; H716-H720 AromaticContact CD2-CD2 3.78Å; H716-H720 AromaticContact CD2-NE2 3.77Å; H716-H720 AromaticContact NE2-CD2 3.62Å; H716-H720 AromaticContact NE2-NE2 3.13Å; H716-H720 PolarHBondContact NE2-NE2 3.1Å; H716-H720 VanDerWaalsContact NE2-NE2 3.13Å
717	K	85.1	Confident	74.6	Confident	51 Å²	51	78.4 Å²	78.4	22%	0.222	40%	0.398	C	S	.	.	H	α-helix	trans	-53.7	-45.6	175.2	-168.1	-179.2	175.5	177.8	0	111.3	D671 F673 I713 K719 H720 D721	D671-K717 IonicContact OD1-NZ 2.67Å; D671-K717 PolarHBondContact OD1-NZ 3.34Å; F673-K717 HydrophobicContact CE2-CB 4.14Å; F673-K717 HydrophobicContact CE2-CG 4.45Å; F673-K717 HydrophobicContact CZ-CB 4.13Å; I713-K717 WeakPolarHBondContact O-CB 3.23Å; I713-K717 PolarHBondContact O-N 3.25Å; K717-K719 PolarHBondContact O-N 3.28Å; K717-K719 VanDerWaalsContact O-N 3.11Å; K717-H720 PolarHBondContact O-N 3.43Å; K717-H720 VanDerWaalsContact O-N 3.16Å; K717-D721 VanDerWaalsContact O-CG 3.26Å; K717-D721 PolarHBondContact O-N 3.25Å
718	R	84.4	Confident	72	Confident	152 Å²	152	82 Å²	82	57%	0.574	42%	0.423	S	S	*	.	H	α-helix	trans	-63	-8.8	172.8	-71.4	174	-174.8	174.9	1.2	115.5	M714 H716 R722	M714-R718 WeakPolarHBondContact O-CB 3.42Å; M714-R718 VanDerWaalsContact O-CG 3.25Å; M714-R718 WeakPolarHBondContact O-CG 3.36Å; M714-R718 PolarHBondContact O-N 3.05Å; M714-R718 VanDerWaalsContact O-N 3.15Å; H716-R718 VanDerWaalsContact C-N 3.28Å; H716-R718 PolarHBondContact O-N 2.96Å; R718-R722 PolarHBondContact O-NE 3.1Å; R718-R722 PolarHBondContact O-NH2 3.34Å
719	K	83.6	Confident	69.7	Low	112 Å²	112	82.5 Å²	82.5	49%	0.487	43%	0.434	S	S	.	.	H	α-helix	trans	-79.9	-55.7	166.8	-67	-172.6	176.3	-173.7	0	109.6	H716 K717 D721 R722 H723	H716-K719 WeakPolarHBondContact O-CA 3.35Å; H716-K719 VanDerWaalsContact O-CB 3.31Å; H716-K719 WeakPolarHBondContact O-CB 3.45Å; H716-K719 PolarHBondContact O-N 3.02Å; K717-K719 PolarHBondContact O-N 3.28Å; K717-K719 VanDerWaalsContact O-N 3.11Å; K719-D721 VanDerWaalsContact C-N 3.34Å; K719-D721 PolarHBondContact O-N 3.39Å; K719-R722 WeakPolarHBondContact O-CB 3.46Å; K719-R722 PolarHBondContact O-N 3.18Å; K719-R722 VanDerWaalsContact O-N 3.15Å; K719-H723 PolarHBondContact O-CD2 3.26Å; K719-H723 PolarHBondContact O-N 3.09Å
720	H	82.9	Confident	67.5	Low	33 Å²	33	87.3 Å²	87.3	15%	0.153	46%	0.457	C	S	.	.	H	α-helix	trans	-56.8	-45.3	178.6	-69.9	-69.1	0	0	0	113.2	C698 C703 H716 K717 R722 H723 I724	C698-H720 PolarHBondContact SG-NE2 3.41Å; C698-H720 VanDerWaalsContact SG-NE2 3.37Å; C703-H720 VanDerWaalsContact CB-CE1 3.47Å; C703-H720 WeakPolarHBondContact CB-CE1 3.44Å; C703-H720 VanDerWaalsContact SG-CE1 3.54Å; H716-H720 AromaticContact CD2-CD2 3.78Å; H716-H720 AromaticContact CD2-NE2 3.77Å; H716-H720 AromaticContact NE2-CD2 3.62Å; H716-H720 AromaticContact NE2-NE2 3.13Å; H716-H720 PolarHBondContact NE2-NE2 3.1Å; H716-H720 VanDerWaalsContact NE2-NE2 3.13Å; K717-H720 PolarHBondContact O-N 3.43Å; K717-H720 VanDerWaalsContact O-N 3.16Å; H720-R722 PolarHBondContact O-N 2.86Å; H720-H723 PolarHBondContact O-N 3.47Å; H720-I724 WeakPolarHBondContact O-CG1 3.32Å; H720-I724 PolarHBondContact O-N 2.76Å
721	D	76.9	Confident	65.3	Low	62 Å²	62	89.5 Å²	89.5	33%	0.332	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-28.1	-176.7	-57.9	-16.6	0	0	0	111.4	R700 K717 K719 T725	R700-D721 IonicContact CZ-OD1 3.32Å; R700-D721 VanDerWaalsContact CZ-OD1 3.32Å; R700-D721 IonicContact NH1-OD1 2.69Å; R700-D721 PolarHBondContact NH1-OD1 3.34Å; R700-D721 IonicContact NH2-OD1 3.82Å; R700-D721 PolarHBondContact NH2-OD1 2.76Å; K717-D721 VanDerWaalsContact O-CG 3.26Å; K717-D721 PolarHBondContact O-N 3.25Å; K719-D721 VanDerWaalsContact C-N 3.34Å; K719-D721 PolarHBondContact O-N 3.39Å; D721-T725 PolarHBondContact O-N 2.97Å
722	R	73.3	Confident	63.4	Low	161 Å²	161	88.8 Å²	88.8	61%	0.608	45%	0.446	S	S	*	.	H	α-helix	trans	-73.2	-39.8	170.9	-83.3	-178.1	-73.9	173.8	-3.5	113.4	R718 K719 H720 I724 T725 S726	R718-R722 PolarHBondContact O-NE 3.1Å; R718-R722 PolarHBondContact O-NH2 3.34Å; K719-R722 WeakPolarHBondContact O-CB 3.46Å; K719-R722 PolarHBondContact O-N 3.18Å; K719-R722 VanDerWaalsContact O-N 3.15Å; H720-R722 PolarHBondContact O-N 2.86Å; R722-I724 PolarHBondContact O-N 2.69Å; R722-T725 WeakPolarHBondContact CA-OG1 3.13Å; R722-T725 PolarHBondContact O-N 3.36Å; R722-T725 PolarHBondContact O-OG1 3.31Å; R722-S726 PolarHBondContact O-N 3.21Å
723	H	63.1	Low	61.1	Low	129 Å²	129	90.5 Å²	90.5	60%	0.597	46%	0.458	S	S	*	.	H	α-helix	trans	-66.5	-23.6	175.1	-70.3	-69.7	0	0	0	112.9	K719 H720 S726 F727	K719-H723 PolarHBondContact O-CD2 3.26Å; K719-H723 PolarHBondContact O-N 3.09Å; H720-H723 PolarHBondContact O-N 3.47Å; H723-S726 PolarHBondContact O-OG 3.18Å; H723-S726 VanDerWaalsContact O-OG 3.05Å; H723-F727 WeakPolarHBondContact O-CD2 3.17Å
724	I	56	Low	58.9	Low	71 Å²	71	94.8 Å²	94.8	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-74.7	-38.2	172.2	-65.5	166.2	0	0	0	110.8	H720 R722 S726	H720-I724 WeakPolarHBondContact O-CG1 3.32Å; H720-I724 PolarHBondContact O-N 2.76Å; R722-I724 PolarHBondContact O-N 2.69Å; I724-S726 PolarHBondContact O-N 3.41Å
725	T	49.2	Very low	56.6	Low	115 Å²	115	95 Å²	95	71%	0.706	48%	0.482	S	S	*	.	H	α-helix	trans	-71.2	-10	179.9	50.8	0	0	0	0	115.4	D721 R722	D721-T725 PolarHBondContact O-N 2.97Å; R722-T725 WeakPolarHBondContact CA-OG1 3.13Å; R722-T725 PolarHBondContact O-N 3.36Å; R722-T725 PolarHBondContact O-OG1 3.31Å
726	S	41.8	Very low	54.1	Low	78 Å²	78	99.3 Å²	99.3	55%	0.545	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	6.9	-177.6	55.5	0	0	0	0	115.1	R722 H723 I724	R722-S726 PolarHBondContact O-N 3.21Å; H723-S726 PolarHBondContact O-OG 3.18Å; H723-S726 VanDerWaalsContact O-OG 3.05Å; I724-S726 PolarHBondContact O-N 3.41Å
727	F	35.9	Very low	51.5	Low	124 Å²	124	105.9 Å²	105.9	54%	0.544	52%	0.519	S	S	.	.	S	Bend	trans	-123.9	144.3	179.7	-71.7	-84.9	0	0	0	112.6	H723 Y731	H723-F727 WeakPolarHBondContact O-CD2 3.17Å; F727-Y731 HydrophobicContact CD1-CD1 4.04Å; F727-Y731 HydrophobicContact CD1-CE1 4.47Å; F727-Y731 HydrophobicContact CG-CD1 4.42Å
728	S	30.5	Very low	48.8	Very low	77 Å²	77	109.1 Å²	109.1	54%	0.538	54%	0.538	S	S	.	.			trans	-63.4	144.4	-179.7	179.6	0	0	0	0	111.8	N730 Y731	S728-N730 PolarHBondContact O-N 3.41Å; S728-Y731 PolarHBondContact O-N 2.99Å
729	P	34.5	Very low	46.1	Very low	101 Å²	101	108 Å²	108	66%	0.656	54%	0.544	S	S	*	.	H	α-helix	trans	-51.2	-30.8	-176.1	-30.1	36.1	0	0	0	115.1	Y731 I732	P729-Y731 VanDerWaalsContact C-N 3.27Å; P729-Y731 PolarHBondContact O-N 3.39Å; P729-I732 PolarHBondContact O-N 3.2Å
730	N	34.3	Very low	43.5	Very low	141 Å²	141	108.7 Å²	108.7	75%	0.754	55%	0.552	S	S	*	*	H	α-helix	trans	-69.9	-17.6	-177.9	-66.9	-4	0	0	0	114.2	S728	S728-N730 PolarHBondContact O-N 3.41Å
731	Y	33.7	Very low	40.8	Very low	111 Å²	111	114.3 Å²	114.3	44%	0.435	58%	0.583	S	S	.	*	H	α-helix	trans	-86.7	-24.7	179.4	-164.7	-120.9	0	0	0	113	F727 S728 P729 N733 I734 L735	F727-Y731 HydrophobicContact CD1-CD1 4.04Å; F727-Y731 HydrophobicContact CD1-CE1 4.47Å; F727-Y731 HydrophobicContact CG-CD1 4.42Å; S728-Y731 PolarHBondContact O-N 2.99Å; P729-Y731 VanDerWaalsContact C-N 3.27Å; P729-Y731 PolarHBondContact O-N 3.39Å; Y731-N733 VanDerWaalsContact C-N 3.33Å; Y731-N733 PolarHBondContact O-N 2.74Å; Y731-I734 PolarHBondContact O-N 2.77Å; Y731-I734 VanDerWaalsContact O-N 3.16Å; Y731-L735 HydrophobicContact CD1-CD1 4.06Å; Y731-L735 HydrophobicContact CE1-CD1 3.72Å; Y731-L735 HydrophobicContact CE1-CG 4.13Å
732	I	41.6	Very low	38.4	Very low	63 Å²	63	119.3 Å²	119.3	32%	0.323	60%	0.604	S	S	.	*	H	α-helix	trans	-64.2	-35.7	-174.2	-66.4	178.9	0	0	0	111.9	P729 I734 L735 Y736	P729-I732 PolarHBondContact O-N 3.2Å; I732-I734 PolarHBondContact O-N 3.04Å; I732-L735 PolarHBondContact O-N 3.1Å; I732-Y736 HydrophobicContact CG2-CD2 3.76Å; I732-Y736 HydrophobicContact CG2-CE2 3.92Å; I732-Y736 WeakPolarHBondContact O-CD2 3.46Å; I732-Y736 PolarHBondContact O-N 3.49Å
733	N	35.8	Very low	36.2	Very low	127 Å²	127	117.5 Å²	117.5	68%	0.679	61%	0.611	S	S	*	*	H	α-helix	trans	-65	-19.2	178.2	-87.5	-7.4	0	0	0	114.4	Y731	Y731-N733 VanDerWaalsContact C-N 3.33Å; Y731-N733 PolarHBondContact O-N 2.74Å
734	I	37.8	Very low	34.4	Very low	97 Å²	97	121 Å²	121	50%	0.497	63%	0.625	S	S	.	*	H	α-helix	trans	-86.4	-36.6	-179	-63.4	176.1	0	0	0	111	Y731 I732	Y731-I734 PolarHBondContact O-N 2.77Å; Y731-I734 VanDerWaalsContact O-N 3.16Å; I732-I734 PolarHBondContact O-N 3.04Å
735	L	35.7	Very low	32.8	Very low	103 Å²	103	122.8 Å²	122.8	54%	0.539	64%	0.644	S	S	.	*	H	α-helix	trans	-78.5	-26.8	-178	-66.9	178.6	0	0	0	114	Y731 I732	Y731-L735 HydrophobicContact CD1-CD1 4.06Å; Y731-L735 HydrophobicContact CE1-CD1 3.72Å; Y731-L735 HydrophobicContact CE1-CG 4.13Å; I732-L735 PolarHBondContact O-N 3.1Å
736	Y	33	Very low	31.8	Very low	165 Å²	165	122.8 Å²	122.8	65%	0.647	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	0.1	-179.8	-82.2	-81.2	0	0	0	114.9	I732	I732-Y736 HydrophobicContact CG2-CD2 3.76Å; I732-Y736 HydrophobicContact CG2-CE2 3.92Å; I732-Y736 WeakPolarHBondContact O-CD2 3.46Å; I732-Y736 PolarHBondContact O-N 3.49Å
737	H	32.4	Very low	31	Very low	151 Å²	151	123.9 Å²	123.9	70%	0.699	66%	0.656	S	S	*	*	S	Bend	trans	-113.2	-6.2	-171.9	-106.5	-68.6	0	0	0	116.4
738	N	27.7	Very low	30.5	Very low	118 Å²	118	125.3 Å²	125.3	63%	0.631	67%	0.67	S	S	*	*	S	Bend	trans	-105.2	-27.7	-174.8	-70.4	-17.3	0	0	0	114.9
739	D	28.4	Very low	30.3	Very low	128 Å²	128	129 Å²	129	68%	0.684	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	57.2	-169.4	-66	-46.8	0	0	0	114.6
740	I	29	Very low	30.1	Very low	127 Å²	127	131.1 Å²	131.1	65%	0.651	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	-18.1	167.8	-68.9	-177.2	0	0	0	112.8
741	N	27.2	Very low	29.7	Very low	151 Å²	151	131.1 Å²	131.1	81%	0.807	68%	0.683	S	S	*	*	S	Bend	trans	-107.9	55.5	-177.7	-73.2	-19.8	0	0	0	112.8
742	Q	26	Very low	29.4	Very low	168 Å²	168	132.6 Å²	132.6	79%	0.785	70%	0.698	S	S	*	*	S	Bend	trans	-150.6	146.9	164.2	-114	160.6	99.9	0	0	112.2
743	T	27.1	Very low	28.7	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	72%	0.721	S	S	*	*			trans	51.9	70.7	169	57.2	0	0	0	0	119.1
744	F	24.7	Very low	28.2	Very low	204 Å²	204	138 Å²	138	90%	0.895	72%	0.722	S	S	*	*			trans	-117	65.1	137.2	-98	-69.5	0	0	0	110.5
745	S	23.4	Very low	27.6	Very low	107 Å²	107	139.7 Å²	139.7	75%	0.748	73%	0.732	S	S	*	*			trans	-132.5	124.7	170.5	-63.2	0	0	0	0	108.5
746	S	27	Very low	27.1	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	74%	0.74	S	S	*	*			trans	-151.5	138.6	175.6	-54.5	0	0	0	0	110.5
747	S	24.7	Very low	26.9	Very low	102 Å²	102	141.5 Å²	141.5	71%	0.713	75%	0.748	S	S	*	*			cis	-158.2	138.8	-19.3	-81.4	0	0	0	0	107.2
748	N	25.3	Very low	26.6	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	75%	0.747	S	S	*	*			trans	-171	126.3	168.8	-102.9	5.7	0	0	0	105.9
749	E	27.1	Very low	26.7	Very low	154 Å²	154	141.1 Å²	141.1	72%	0.72	75%	0.75	S	S	*	*			cis	-143.9	149.1	4.7	-79.2	173.7	152.1	0	0	111.9
750	I	29.5	Very low	26.8	Very low	146 Å²	146	141.6 Å²	141.6	75%	0.749	75%	0.751	S	S	*	*			trans	50.3	117	139.5	-54.2	166.7	0	0	0	120.6
751	N	25.9	Very low	26.7	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	75%	0.754	S	S	*	*			trans	0.5	155.3	139.8	-52.8	-4.8	0	0	0	119
752	N	28.2	Very low	26.6	Very low	142 Å²	142	140 Å²	140	76%	0.759	74%	0.744	S	S	*	*				-170.3	-180	51.2	-147.2	-1.9	0	0	0	115.5
753	H	27.5	Very low	26.6	Very low	172 Å²	172	137.6 Å²	137.6	80%	0.796	74%	0.737	S	S	*	*			trans	-56.9	126.8	-174.5	-77.1	-96	0	0	0	118.4
754	N	24.3	Very low	26.5	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	73%	0.733	S	S	*	*				28.8	145.8	104.3	-90.6	31.3	0	0	0	123.2
755	N	26	Very low	26.5	Very low	132 Å²	132	134 Å²	134	71%	0.706	72%	0.722	S	S	*	*			trans	79.7	144.4	148.9	-69	25.2	0	0	0	118
756	N	25.4	Very low	26.8	Very low	133 Å²	133	135.5 Å²	135.5	71%	0.711	72%	0.721	S	S	*	*			cis	-150.3	169.6	23.3	-101.2	-25.9	0	0	0	113.2
757	E	27.3	Very low	26.8	Very low	173 Å²	173	136.2 Å²	136.2	81%	0.808	72%	0.716	S	S	*	*			trans	162.3	108.6	132.6	-91.6	-179.7	-157.1	0	0	107.8
758	D	27.7	Very low	26.9	Very low	130 Å²	130	137.4 Å²	137.4	70%	0.695	72%	0.715	S	S	*	*				94.7	147	77.7	-81.7	9.5	0	0	0	110.9
759	L	29.4	Very low	26.8	Very low	131 Å²	131	137 Å²	137	69%	0.686	71%	0.708	S	S	*	*			cis	-158	149.9	13.5	-154.7	70.7	0	0	0	111.9
760	I	29.6	Very low	26.6	Very low	137 Å²	137	135.8 Å²	135.8	70%	0.703	71%	0.705	S	S	*	*			trans	59.2	116.6	148.6	-82.2	169.9	0	0	0	120.6
761	N	27	Very low	26.4	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	70%	0.704	S	S	*	*				79.1	145.3	85	-118.3	8.2	0	0	0	115.2
762	N	26.4	Very low	26.3	Very low	111 Å²	111	137.6 Å²	137.6	59%	0.594	71%	0.707	S	S	*	*			cis	-165.5	161.2	2.8	-152.4	-6	0	0	0	114.8
763	N	25.7	Very low	26.1	Very low	119 Å²	119	137.2 Å²	137.2	64%	0.636	71%	0.71	S	S	*	*			trans	73.5	141.2	145.1	-83.9	-16.4	0	0	0	127
764	N	25.4	Very low	25.8	Very low	125 Å²	125	136.5 Å²	136.5	67%	0.668	71%	0.712	S	S	*	*			trans	72	146.3	148.7	-61.4	-5.5	0	0	0	120.2
765	N	24.8	Very low	25.8	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	72%	0.722	S	S	*	*			cis	-164	160.8	-8.8	-110.2	-9.9	0	0	0	111.7
766	N	29.5	Very low	25.6	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	72%	0.722	S	S	*	*			trans	136.5	94.4	145.3	-69.8	-20.3	0	0	0	118
767	N	26.5	Very low	25.6	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	72%	0.722	S	S	*	*				42	127.8	119.4	-52.3	-1.2	0	0	0	123.4
768	N	25.7	Very low	25.4	Very low	128 Å²	128	139.3 Å²	139.3	68%	0.684	72%	0.722	S	S	*	*				62.4	152.6	128.4	-61.7	42.3	0	0	0	120.6
769	E	23.6	Very low	25.1	Very low	145 Å²	145	137.5 Å²	137.5	68%	0.678	72%	0.719	S	S	*	*			cis	-168.4	165.8	-15.7	-114.4	-177.5	125.9	0	0	111.6
770	I	24.1	Very low	24.9	Very low	129 Å²	129	137.1 Å²	137.1	66%	0.662	72%	0.723	S	S	*	*			trans	75.3	123.3	141.9	-75.2	168.3	0	0	0	123.3
771	N	24.7	Very low	24.6	Very low	136 Å²	136	137.5 Å²	137.5	73%	0.727	73%	0.725	S	S	*	*			trans	67.1	112.9	146.8	-71.8	-15.9	0	0	0	126.6
772	K	23.1	Very low	24.5	Very low	189 Å²	189	136.2 Å²	136.2	82%	0.822	72%	0.717	S	S	*	*				16.9	131.8	122.4	-60.4	173.4	-179.9	172.4	0	120.7
773	T	24.5	Very low	24.5	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	73%	0.73	S	S	*	*				-162.3	147.4	111.8	20.9	0	0	0	0	111.7
774	N	22	Very low	24.5	Very low	157 Å²	157	138.9 Å²	138.9	84%	0.84	74%	0.742	S	S	*	*			trans	-100.4	142.6	165	-77.7	-3.5	0	0	0	109.8
775	F	23.9	Very low	24.4	Very low	207 Å²	207	138.8 Å²	138.8	91%	0.908	74%	0.74	S	S	*	*			trans	-140.3	171.1	150.8	-97.6	-76.8	0	0	0	109.6
776	N	22.5	Very low	24.4	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	74%	0.744	S	S	*	*			trans	-151	155.9	-146.5	-159	18.7	0	0	0	111.1
777	I	23.7	Very low	24.3	Very low	139 Å²	139	140 Å²	140	71%	0.713	74%	0.74	S	S	*	*			trans	70.9	140.6	161.3	-69.2	158.9	0	0	0	114.8
778	D	23.1	Very low	24.2	Very low	150 Å²	150	142 Å²	142	80%	0.802	75%	0.745	S	S	*	*			cis	-145.6	-171	0.9	-140.6	-34.6	0	0	0	113.4
779	S	22.1	Very low	24	Very low	91 Å²	91	145 Å²	145	64%	0.636	75%	0.752	S	S	*	*			trans	-82.3	178.3	-178.3	-169.9	0	0	0	0	116.1
780	T	25.8	Very low	24	Very low	123 Å²	123	142.5 Å²	142.5	76%	0.755	75%	0.751	S	S	*	*			trans	79.7	143.1	175.9	75.5	0	0	0	0	116.5
781	L	23.4	Very low	24.1	Very low	145 Å²	145	144.6 Å²	144.6	76%	0.759	76%	0.762	S	S	*	*			cis	-146	150.9	-4.9	-151.7	80.7	0	0	0	111.5
782	I	24	Very low	24	Very low	106 Å²	106	145.4 Å²	145.4	54%	0.544	77%	0.766	S	S	.	*			trans	4.1	124.9	155.8	-61.7	159.9	0	0	0	118	L785	I782-L785 HydrophobicContact CD1-CD2 4.48Å; I782-L785 HydrophobicContact CG2-CB 3.93Å
783	D	25.8	Very low	24.2	Very low	161 Å²	161	143.6 Å²	143.6	86%	0.861	76%	0.764	S	S	*	*	S	Bend	trans	-149	68.5	130.6	-145.9	0.3	0	0	0	112
784	S	26.6	Very low	24.5	Very low	126 Å²	126	142.3 Å²	142.3	88%	0.881	76%	0.757	S	S	*	*	S	Bend	trans	-167.2	57.8	170.6	-79.3	0	0	0	0	109.4
785	L	22.7	Very low	24.5	Very low	122 Å²	122	139.6 Å²	139.6	64%	0.639	74%	0.742	S	S	*	*			trans	-123.3	123.4	172.9	-149.6	79	0	0	0	105.7	I782	I782-L785 HydrophobicContact CD1-CD2 4.48Å; I782-L785 HydrophobicContact CG2-CB 3.93Å
786	E	25.5	Very low	24.5	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	72%	0.724	S	S	*	*				162.1	161.9	103.3	-85.3	-160.1	133.3	0	0	105.9
787	I	26.4	Very low	24.7	Very low	129 Å²	129	131.8 Å²	131.8	66%	0.662	71%	0.71	S	S	*	*			cis	-153.6	171.5	16.6	-138.2	156.9	0	0	0	110.7
788	H	24.5	Very low	24.8	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.796	71%	0.714	S	S	*	*			trans	73.9	114.9	166.5	-96	-63.2	0	0	0	121.8
789	K	22.8	Very low	24.7	Very low	192 Å²	192	132.1 Å²	132.1	84%	0.835	71%	0.712	S	S	*	*			trans	-71.4	168.6	147.7	-70.5	174	176.7	171.4	0	111.1
790	S	22.2	Very low	24.8	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	72%	0.716	S	S	*	*			trans	78.7	85.6	159.9	75.1	0	0	0	0	120.1
791	L	25.9	Very low	24.8	Very low	173 Å²	173	137.2 Å²	137.2	91%	0.906	72%	0.715	S	S	*	*			trans	-151.2	139.2	140.3	-114.8	156.6	0	0	0	108.4
792	L	24	Very low	24.7	Very low	152 Å²	152	133.4 Å²	133.4	80%	0.796	70%	0.701	S	S	*	*			trans	-140	115.5	-168.8	-104.8	168.6	0	0	0	111.3
793	I	27.7	Very low	24.8	Very low	152 Å²	152	138.6 Å²	138.6	78%	0.779	72%	0.72	S	S	*	*			trans	67.8	157.8	164	-59.3	167.5	0	0	0	112.4
794	P	29.3	Very low	24.8	Very low	106 Å²	106	138.4 Å²	138.4	69%	0.688	71%	0.711	S	S	*	*			cis	-110.4	-168.4	-0	11.8	16.2	0	0	0	112.4
795	L	22.3	Very low	24.7	Very low	100 Å²	100	139.4 Å²	139.4	52%	0.524	71%	0.707	S	S	.	*			cis	-144	144.6	30.6	-117.1	102.4	0	0	0	113.5	N797 K800	L795-N797 WeakPolarHBondContact CD2-ND2 3.47Å; L795-K800 WeakPolarHBondContact CD2-O 3.48Å
796	N	25	Very low	25	Very low	97 Å²	97	142.7 Å²	142.7	52%	0.519	72%	0.719	S	S	.	*			trans	-89.5	132.7	158.3	174.6	22.6	0	0	0	108.9	L799 K800	N796-L799 PolarHBondContact ND2-N 3.17Å; N796-L799 PolarHBondContact ND2-O 3.02Å; N796-K800 HydrophobicContact CB-CB 4.27Å; N796-K800 CarbonylContact O-C 3.39Å; N796-K800 VanDerWaalsContact O-CA 3.32Å; N796-K800 WeakPolarHBondContact O-CA 3.46Å; N796-K800 PolarHBondContact O-N 3.46Å
797	N	25.3	Very low	24.8	Very low	80 Å²	80	139.4 Å²	139.4	43%	0.428	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-148.7	123.3	161.9	-86.2	-26.2	0	0	0	107	L795 Q801	L795-N797 WeakPolarHBondContact CD2-ND2 3.47Å; N797-Q801 WeakPolarHBondContact OD1-CA 3.36Å; N797-Q801 VanDerWaalsContact OD1-CB 3.29Å; N797-Q801 WeakPolarHBondContact OD1-CB 3.46Å; N797-Q801 PolarHBondContact OD1-N 2.82Å
798	N	25.5	Very low	24.8	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	cis	-100.9	74.2	17.9	-67.8	-34.8	0	0	0	114.8
799	L	21	Very low	24.7	Very low	147 Å²	147	137.5 Å²	137.5	77%	0.77	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.1	55	130.1	-110.9	171.7	0	0	0	115.4	N796	N796-L799 PolarHBondContact ND2-N 3.17Å; N796-L799 PolarHBondContact ND2-O 3.02Å
800	K	24.9	Very low	24.8	Very low	164 Å²	164	135.3 Å²	135.3	71%	0.713	71%	0.705	S	S	*	*			trans	-160.6	65.6	151.1	-129.6	174.2	-174.2	178.8	0	114.3	L795 N796 S802	L795-K800 WeakPolarHBondContact CD2-O 3.48Å; N796-K800 HydrophobicContact CB-CB 4.27Å; N796-K800 CarbonylContact O-C 3.39Å; N796-K800 VanDerWaalsContact O-CA 3.32Å; N796-K800 WeakPolarHBondContact O-CA 3.46Å; N796-K800 PolarHBondContact O-N 3.46Å; K800-S802 PolarHBondContact O-N 2.95Å
801	Q	25.2	Very low	24.8	Very low	157 Å²	157	134.9 Å²	134.9	73%	0.734	70%	0.702	S	S	*	*			trans	-73.6	88.6	-177.9	-157.6	161.5	8	0	0	112.8	N797	N797-Q801 WeakPolarHBondContact OD1-CA 3.36Å; N797-Q801 VanDerWaalsContact OD1-CB 3.29Å; N797-Q801 WeakPolarHBondContact OD1-CB 3.46Å; N797-Q801 PolarHBondContact OD1-N 2.82Å
802	S	23.1	Very low	24.6	Very low	66 Å²	66	133.6 Å²	133.6	46%	0.462	70%	0.696	S	S	.	*			trans	51.6	88.5	152	178.8	0	0	0	0	119.6	K800	K800-S802 PolarHBondContact O-N 2.95Å
803	F	24.3	Very low	24.8	Very low	214 Å²	214	135.2 Å²	135.2	94%	0.939	70%	0.699	S	S	*	*				-135.2	114.2	123.7	-82.1	-87.6	0	0	0	105.8
804	K	26.1	Very low	24.6	Very low	158 Å²	158	134.4 Å²	134.4	69%	0.687	70%	0.697	S	S	*	*			cis	100.6	94.8	33.6	-168.5	175.4	-176.8	179	0	111.8
805	N	25.1	Very low	24.5	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	71%	0.707	S	S	*	*			trans	69.3	154	168.1	-52.3	0.6	0	0	0	114.9
806	Q	27.9	Very low	24.5	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	72%	0.717	S	S	*	*			cis	-140.3	179.8	13.1	-164	164.3	-9.9	0	0	111.2
807	S	22.8	Very low	24.6	Very low	91 Å²	91	146.2 Å²	146.2	64%	0.636	74%	0.737	S	S	*	*			trans	-141.1	167.8	-162.6	52.7	0	0	0	0	114.9
808	I	25	Very low	24.4	Very low	133 Å²	133	149.9 Å²	149.9	68%	0.682	75%	0.752	S	S	*	*			trans	78	149.5	147.5	-102.4	165	0	0	0	116
809	L	24.2	Very low	24.4	Very low	127 Å²	127	151.6 Å²	151.6	67%	0.665	76%	0.755	S	S	*	*			cis	-152.8	168.5	14.6	-120.9	173.4	0	0	0	112.1
810	L	23.7	Very low	24.5	Very low	147 Å²	147	150.7 Å²	150.7	77%	0.77	75%	0.751	S	S	*	*			trans	66.2	157.2	154.7	-61.8	162.6	0	0	0	121.1
811	S	22.4	Very low	24.5	Very low	83 Å²	83	150.8 Å²	150.8	58%	0.58	76%	0.758	S	S	*	*			cis	-176.2	142	-46.5	51.3	0	0	0	0	111.7
812	D	22.6	Very low	24.4	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	76%	0.758	S	S	*	*			trans	36.4	123	142.6	-49.2	-33.5	0	0	0	122.3
813	H	27.7	Very low	24.5	Very low	186 Å²	186	154.7 Å²	154.7	86%	0.861	78%	0.778	S	S	*	*				-162.7	157	111.7	-123	-97.4	0	0	0	114.1
814	N	22.6	Very low	24.4	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	76%	0.764	S	S	*	*			trans	-75.4	154.1	-174.5	-66.5	-50.7	0	0	0	114.9
815	L	27	Very low	24.4	Very low	174 Å²	174	147.7 Å²	147.7	91%	0.911	77%	0.766	S	S	*	*				-162.2	141.1	119.7	-107.3	167.7	0	0	0	111.5
816	N	22.6	Very low	24.4	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	77%	0.766	S	S	*	*			trans	-82.9	147.8	-175.8	-73.2	-18.8	0	0	0	112.8
817	Y	26.6	Very low	24.2	Very low	238 Å²	238	147.1 Å²	147.1	93%	0.933	77%	0.768	S	S	*	*			trans	-144.2	131.3	133.5	-119.8	-82.8	0	0	0	109.1
818	E	21.1	Very low	24.4	Very low	158 Å²	158	148.8 Å²	148.8	74%	0.738	77%	0.77	S	S	*	*			trans	-79.7	141.2	178.6	-62.8	-172.7	111.9	0	0	111.4
819	H	27	Very low	24.3	Very low	184 Å²	184	150.2 Å²	150.2	85%	0.852	78%	0.778	S	S	*	*				-151.5	124.5	122.9	-138.4	-73.6	0	0	0	111.7
820	N	22.7	Very low	24.3	Very low	128 Å²	128	150 Å²	150	68%	0.684	78%	0.778	S	S	*	*			trans	-71	135.6	166.5	-83.9	-76.8	0	0	0	109.8
821	L	25	Very low	24.4	Very low	165 Å²	165	148 Å²	148	86%	0.864	78%	0.776	S	S	*	*			trans	-143	99.3	152.4	-106.5	175.6	0	0	0	109	L823	L821-L823 PolarHBondContact O-N 2.74Å
822	N	22.9	Very low	24.6	Very low	137 Å²	137	150.6 Å²	150.6	73%	0.733	78%	0.783	S	S	*	*			trans	-87.8	101	-175.2	-158.9	-11.2	0	0	0	109	N824	N822-N824 PolarHBondContact O-N 3.21Å
823	L	25.6	Very low	24.6	Very low	168 Å²	168	152.8 Å²	152.8	88%	0.88	79%	0.786	S	S	*	*			trans	-88.7	98.8	-179	-106.9	160.1	0	0	0	110.1	L821	L821-L823 PolarHBondContact O-N 2.74Å
824	N	22.9	Very low	24.4	Very low	122 Å²	122	150.8 Å²	150.8	65%	0.652	78%	0.782	S	S	*	*			trans	-122.5	156.4	-176.5	-142.6	-17.7	0	0	0	110.4	N822	N822-N824 PolarHBondContact O-N 3.21Å
825	S	25.8	Very low	24.5	Very low	104 Å²	104	153.6 Å²	153.6	73%	0.727	79%	0.791	S	S	*	*			trans	65.4	117.3	-166.3	72.9	0	0	0	0	114.6
826	N	24.7	Very low	24.3	Very low	146 Å²	146	151.9 Å²	151.9	78%	0.781	78%	0.781	S	S	*	*			cis	84.7	72.2	44.1	-62.8	-19.5	0	0	0	114.8	N828	N826-N828 VanDerWaalsContact C-N 3.34Å; N826-N828 PolarHBondContact O-N 2.89Å
827	L	24.1	Very low	24.3	Very low	178 Å²	178	151.4 Å²	151.4	93%	0.932	78%	0.778	S	S	*	*			trans	-79.8	81.9	151.4	-83.6	168.1	0	0	0	109.4	L829	L827-L829 PolarHBondContact O-N 2.98Å
828	N	25.6	Very low	24.2	Very low	127 Å²	127	146.4 Å²	146.4	68%	0.679	77%	0.767	S	S	*	*			trans	-91.9	98.7	177.7	-161.4	3.5	0	0	0	110.9	N826 N830	N826-N828 VanDerWaalsContact C-N 3.34Å; N826-N828 PolarHBondContact O-N 2.89Å; N828-N830 PolarHBondContact O-N 3.47Å
829	L	24.4	Very low	24.3	Very low	162 Å²	162	144.3 Å²	144.3	85%	0.848	76%	0.76	S	S	*	*			trans	-83.7	84.3	178	-82.8	165.5	0	0	0	111	L827	L827-L829 PolarHBondContact O-N 2.98Å
830	N	23.7	Very low	24.2	Very low	123 Å²	123	145.1 Å²	145.1	66%	0.658	76%	0.762	S	S	*	*			trans	-107.6	100.9	166.4	-94.1	-7.9	0	0	0	110.9	N828	N828-N830 PolarHBondContact O-N 3.47Å
831	S	26.4	Very low	24.8	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	76%	0.758	S	S	*	*			trans	-112.1	122.2	156.3	57.1	0	0	0	0	107.5	F833	S831-F833 PolarHBondContact O-N 3.38Å
832	N	26	Very low	25.5	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	74%	0.738	S	S	*	*			trans	-53.9	128.2	-165.3	-70.5	-4.6	0	0	0	114
833	F	22	Very low	26.5	Very low	192 Å²	192	137.9 Å²	137.9	84%	0.842	73%	0.728	S	S	*	*			trans	-66.9	131.7	155.9	-80.3	-111.4	0	0	0	108.8	S831	S831-F833 PolarHBondContact O-N 3.38Å
834	N	23.5	Very low	27.5	Very low	143 Å²	143	134 Å²	134	77%	0.765	70%	0.702	S	S	*	*				169.1	77.3	129.8	-85.9	-16	0	0	0	111.6
835	Q	24.8	Very low	28.7	Very low	196 Å²	196	130.7 Å²	130.7	92%	0.916	68%	0.684	S	S	*	*			trans	-149.4	92.6	134	-150.5	158.3	12.8	0	0	111.4
836	I	23.5	Very low	29.9	Very low	137 Å²	137	129.5 Å²	129.5	70%	0.703	67%	0.669	S	S	*	*			trans	-22.1	134.5	146.6	-64.1	154.4	0	0	0	111.2
837	D	22.5	Very low	31.2	Very low	129 Å²	129	126 Å²	126	69%	0.69	65%	0.647	S	S	*	*			cis	-148.7	-176.7	34.8	-139.9	-35.1	0	0	0	115.2
838	L	23.5	Very low	32.5	Very low	132 Å²	132	118.2 Å²	118.2	69%	0.691	61%	0.606	S	S	*	*	S	Bend	trans	72.1	61.5	172.1	-74.5	133.1	0	0	0	117.3	P316	P316-L838 HydrophobicContact CB-CD1 4.47Å
839	L	24	Very low	33.7	Very low	115 Å²	115	113.6 Å²	113.6	60%	0.602	58%	0.581	S	S	*	*			trans	-146.3	54.5	168	-128.7	176.1	0	0	0	115.8	T841 N842	L839-T841 VanDerWaalsContact C-N 3.25Å; L839-T841 PolarHBondContact O-N 3.31Å; L839-T841 VanDerWaalsContact O-N 3.14Å; L839-N842 HydrophobicContact CD2-CB 4.27Å; L839-N842 WeakPolarHBondContact CD2-ND2 3.42Å
840	F	25.3	Very low	35.1	Very low	200 Å²	200	112.8 Å²	112.8	88%	0.877	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	9.3	-176.6	-100.4	-77.4	0	0	0	116.9
841	T	35	Very low	36.8	Very low	98 Å²	98	107.5 Å²	107.5	60%	0.601	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-21.9	-171.1	48.8	0	0	0	0	115.8	L839	L839-T841 VanDerWaalsContact C-N 3.25Å; L839-T841 PolarHBondContact O-N 3.31Å; L839-T841 VanDerWaalsContact O-N 3.14Å
842	N	39.6	Very low	38.2	Very low	86 Å²	86	102.6 Å²	102.6	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-73.3	-30.1	-174.8	-82.3	-16.2	0	0	0	113.7	L839 L845 N846	L839-N842 HydrophobicContact CD2-CB 4.27Å; L839-N842 WeakPolarHBondContact CD2-ND2 3.42Å; N842-L845 PolarHBondContact O-N 2.98Å; N842-N846 WeakPolarHBondContact O-CB 3.15Å; N842-N846 PolarHBondContact O-N 2.95Å; N842-N846 PolarHBondContact O-ND2 3.1Å
843	D	44.4	Very low	39.4	Very low	95 Å²	95	98 Å²	98	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-72.6	-37.8	-166.8	-148.3	51.3	0	0	0	113	K847	D843-K847 WeakPolarHBondContact O-CD 3.36Å; D843-K847 VanDerWaalsContact O-CG 3.25Å; D843-K847 WeakPolarHBondContact O-CG 3.37Å; D843-K847 PolarHBondContact O-N 3.49Å; D843-K847 WeakPolarHBondContact OD2-CE 3.45Å; D843-K847 IonicContact OD2-NZ 2.68Å; D843-K847 PolarHBondContact OD2-NZ 3.18Å
844	Y	45.9	Very low	40.8	Very low	87 Å²	87	91.7 Å²	91.7	34%	0.341	46%	0.458	S	S	.	.	H	α-helix	trans	-67.4	-40.8	171.5	-85.2	-79	0	0	0	112.5	N846 K847 I848 Y977	Y844-N846 VanDerWaalsContact C-N 3.32Å; Y844-N846 PolarHBondContact O-N 2.98Å; Y844-K847 PolarHBondContact O-N 3.45Å; Y844-I848 WeakPolarHBondContact O-CD1 3.41Å; Y844-I848 VanDerWaalsContact O-CG1 3.26Å; Y844-I848 WeakPolarHBondContact O-CG1 3.36Å; Y844-I848 PolarHBondContact O-N 2.91Å; Y844-Y977 AromaticContact CD1-CE1 3.78Å; Y844-Y977 HydrophobicContact CD1-CE1 3.78Å; Y844-Y977 HydrophobicContact CE1-CE1 4.32Å
845	L	48	Very low	42.1	Very low	52 Å²	52	85.5 Å²	85.5	27%	0.272	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.2	-157.2	81.2	0	0	0	111	N842 I848 I849 L1047	N842-L845 PolarHBondContact O-N 2.98Å; L845-I848 PolarHBondContact O-N 3.04Å; L845-I849 HydrophobicContact CD2-CD1 4.36Å; L845-I849 HydrophobicContact CG-CD1 4.21Å; L845-I849 WeakPolarHBondContact O-CB 3.47Å; L845-I849 VanDerWaalsContact O-CG1 3.3Å; L845-I849 WeakPolarHBondContact O-CG1 3.33Å; L845-I849 PolarHBondContact O-N 3.38Å; L845-L1047 HydrophobicContact CD2-CD1 4.07Å
846	N	50.2	Low	43.3	Very low	78 Å²	78	77.9 Å²	77.9	42%	0.417	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-37.7	174.3	-74.4	-27.8	0	0	0	112.7	N842 Y844 K850	N842-N846 WeakPolarHBondContact O-CB 3.15Å; N842-N846 PolarHBondContact O-N 2.95Å; N842-N846 PolarHBondContact O-ND2 3.1Å; Y844-N846 VanDerWaalsContact C-N 3.32Å; Y844-N846 PolarHBondContact O-N 2.98Å; N846-K850 WeakPolarHBondContact O-CB 3.22Å; N846-K850 VanDerWaalsContact O-CG 3.31Å; N846-K850 WeakPolarHBondContact O-CG 3.27Å; N846-K850 PolarHBondContact O-N 2.92Å
847	K	53.4	Low	44.3	Very low	72 Å²	72	78.9 Å²	78.9	31%	0.313	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-42.6	172.9	-73	163.9	-170.1	165.9	0	111.7	D843 Y844 K850 F851 L883	D843-K847 WeakPolarHBondContact O-CD 3.36Å; D843-K847 VanDerWaalsContact O-CG 3.25Å; D843-K847 WeakPolarHBondContact O-CG 3.37Å; D843-K847 PolarHBondContact O-N 3.49Å; D843-K847 WeakPolarHBondContact OD2-CE 3.45Å; D843-K847 IonicContact OD2-NZ 2.68Å; D843-K847 PolarHBondContact OD2-NZ 3.18Å; Y844-K847 PolarHBondContact O-N 3.45Å; K847-K850 PolarHBondContact O-N 3.2Å; K847-F851 WeakPolarHBondContact O-CB 3.36Å; K847-F851 PolarHBondContact O-N 2.91Å; K847-L883 HydrophobicContact CD-CD2 4.46Å
848	I	50.2	Low	45.5	Very low	16 Å²	16	77 Å²	77	8%	0.082	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-47	175	-64.8	160	0	0	0	111	Y844 L845 K850 F851 I852 W970 C973 Y977	Y844-I848 WeakPolarHBondContact O-CD1 3.41Å; Y844-I848 VanDerWaalsContact O-CG1 3.26Å; Y844-I848 WeakPolarHBondContact O-CG1 3.36Å; Y844-I848 PolarHBondContact O-N 2.91Å; L845-I848 PolarHBondContact O-N 3.04Å; I848-K850 PolarHBondContact O-N 3.44Å; I848-F851 PolarHBondContact O-N 2.86Å; I848-I852 HydrophobicContact CG2-CD1 3.75Å; I848-I852 HydrophobicContact CG2-CG1 4.39Å; I848-I852 WeakPolarHBondContact O-CG1 3.22Å; I848-I852 PolarHBondContact O-N 3.36Å; I848-W970 HydrophobicContact CG2-CZ3 4.23Å; I848-C973 HydrophobicContact CG2-CB 4.45Å; I848-Y977 HydrophobicContact CD1-CD1 4.42Å; I848-Y977 HydrophobicContact CD1-CD2 3.48Å; I848-Y977 VanDerWaalsContact CD1-CD2 3.48Å; I848-Y977 HydrophobicContact CD1-CE1 4.32Å; I848-Y977 HydrophobicContact CD1-CE2 3.37Å; I848-Y977 HydrophobicContact CD1-CG 4.04Å; I848-Y977 HydrophobicContact CG1-CD2 4.25Å; I848-Y977 HydrophobicContact CG1-CE2 3.64Å
849	I	50.6	Low	46.5	Very low	30 Å²	30	76.9 Å²	76.9	15%	0.154	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-45.3	178	-70.4	164.2	0	0	0	110.7	L845 F851 I852 N853 W970 Y1051	L845-I849 HydrophobicContact CD2-CD1 4.36Å; L845-I849 HydrophobicContact CG-CD1 4.21Å; L845-I849 WeakPolarHBondContact O-CB 3.47Å; L845-I849 VanDerWaalsContact O-CG1 3.3Å; L845-I849 WeakPolarHBondContact O-CG1 3.33Å; L845-I849 PolarHBondContact O-N 3.38Å; I849-F851 PolarHBondContact O-N 3.34Å; I849-I852 PolarHBondContact O-N 3.14Å; I849-N853 WeakPolarHBondContact O-CB 3.29Å; I849-N853 PolarHBondContact O-N 3.02Å; I849-N853 PolarHBondContact O-ND2 2.89Å; I849-N853 VanDerWaalsContact O-ND2 3.13Å; I849-W970 HydrophobicContact CG1-CH2 3.84Å; I849-W970 HydrophobicContact CG1-CZ2 4.34Å; I849-Y1051 HydrophobicContact CG2-CE2 3.96Å
850	K	54.9	Low	47.2	Very low	144 Å²	144	78.1 Å²	78.1	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-59.2	-44.6	174.3	-77.2	177.5	178.4	-178.8	0	112.2	N846 K847 I848 N853 L854	N846-K850 WeakPolarHBondContact O-CB 3.22Å; N846-K850 VanDerWaalsContact O-CG 3.31Å; N846-K850 WeakPolarHBondContact O-CG 3.27Å; N846-K850 PolarHBondContact O-N 2.92Å; K847-K850 PolarHBondContact O-N 3.2Å; I848-K850 PolarHBondContact O-N 3.44Å; K850-N853 PolarHBondContact O-N 3.04Å; K850-L854 WeakPolarHBondContact O-CG 3.37Å; K850-L854 PolarHBondContact O-N 2.9Å
851	F	58.2	Low	48.2	Very low	12 Å²	12	72 Å²	72	5%	0.053	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-48.5	176.5	170.5	-109.5	0	0	0	112.1	K847 I848 I849 N853 L854 C855 L866 I887 L891 L969	K847-F851 WeakPolarHBondContact O-CB 3.36Å; K847-F851 PolarHBondContact O-N 2.91Å; I848-F851 PolarHBondContact O-N 2.86Å; I849-F851 PolarHBondContact O-N 3.34Å; F851-N853 VanDerWaalsContact C-N 3.34Å; F851-N853 PolarHBondContact O-N 3.24Å; F851-L854 WeakPolarHBondContact O-CB 3.39Å; F851-L854 PolarHBondContact O-N 2.67Å; F851-C855 PolarHBondContact O-N 3.29Å; F851-C855 PolarHBondContact O-SG 3.02Å; F851-L866 HydrophobicContact CE2-CD1 3.84Å; F851-I887 HydrophobicContact CD2-CD1 4.24Å; F851-I887 HydrophobicContact CD2-CG2 4.31Å; F851-I887 HydrophobicContact CE1-CG2 4.11Å; F851-I887 HydrophobicContact CE2-CD1 4.48Å; F851-I887 HydrophobicContact CE2-CG2 3.52Å; F851-I887 HydrophobicContact CG-CD1 4.32Å; F851-I887 HydrophobicContact CZ-CG2 3.4Å; F851-I887 VanDerWaalsContact CZ-CG2 3.4Å; F851-L891 HydrophobicContact CZ-CD1 4.13Å; F851-L891 HydrophobicContact CZ-CD2 4.22Å; F851-L891 HydrophobicContact CZ-CG 4.3Å; F851-L969 HydrophobicContact CE1-CD1 4.31Å
852	I	56.6	Low	48.7	Very low	2 Å²	2	71.9 Å²	71.9	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-38.3	179.2	-66.7	175.3	0	0	0	111.1	I848 I849 L854 C855 I856 L966 L969 W970	I848-I852 HydrophobicContact CG2-CD1 3.75Å; I848-I852 HydrophobicContact CG2-CG1 4.39Å; I848-I852 WeakPolarHBondContact O-CG1 3.22Å; I848-I852 PolarHBondContact O-N 3.36Å; I849-I852 PolarHBondContact O-N 3.14Å; I852-L854 PolarHBondContact O-N 2.82Å; I852-C855 PolarHBondContact O-N 2.94Å; I852-I856 HydrophobicContact CG2-CD1 3.99Å; I852-I856 WeakPolarHBondContact O-CD1 3.47Å; I852-I856 VanDerWaalsContact O-CG1 3.29Å; I852-I856 WeakPolarHBondContact O-CG1 3.38Å; I852-I856 PolarHBondContact O-N 3.3Å; I852-L966 HydrophobicContact CG2-CD1 4.02Å; I852-L969 HydrophobicContact CG1-CD2 4.15Å; I852-L969 HydrophobicContact CG1-CG 4.31Å; I852-L969 HydrophobicContact CG2-CD2 4.4Å; I852-W970 HydrophobicContact CD1-CD2 3.59Å; I852-W970 HydrophobicContact CD1-CE3 3.88Å; I852-W970 HydrophobicContact CD1-CG 4.06Å; I852-W970 HydrophobicContact CD1-CH2 4.18Å; I852-W970 HydrophobicContact CD1-CZ2 3.88Å; I852-W970 HydrophobicContact CD1-CZ3 4.18Å
853	N	51.3	Low	48.8	Very low	41 Å²	41	73.6 Å²	73.6	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-43.1	172.3	-73.3	-29.3	0	0	0	112.8	I849 K850 F851 I856 Y857 Y1051	I849-N853 WeakPolarHBondContact O-CB 3.29Å; I849-N853 PolarHBondContact O-N 3.02Å; I849-N853 PolarHBondContact O-ND2 2.89Å; I849-N853 VanDerWaalsContact O-ND2 3.13Å; K850-N853 PolarHBondContact O-N 3.04Å; F851-N853 VanDerWaalsContact C-N 3.34Å; F851-N853 PolarHBondContact O-N 3.24Å; N853-I856 WeakPolarHBondContact O-CB 3.36Å; N853-I856 PolarHBondContact O-N 3.13Å; N853-Y857 PolarHBondContact O-N 2.96Å; N853-Y1051 VanDerWaalsContact CG-OH 3.24Å; N853-Y1051 PolarHBondContact ND2-OH 3.17Å; N853-Y1051 WeakPolarHBondContact OD1-CE1 3.37Å; N853-Y1051 VanDerWaalsContact OD1-CZ 3.3Å; N853-Y1051 PolarHBondContact OD1-OH 3.05Å
854	L	51.2	Low	48.9	Very low	61 Å²	61	75.2 Å²	75.2	32%	0.319	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-40.5	176.5	-72.5	164.5	0	0	0	111.5	K850 F851 I852 I856 Y857 Q858 I869	K850-L854 WeakPolarHBondContact O-CG 3.37Å; K850-L854 PolarHBondContact O-N 2.9Å; F851-L854 WeakPolarHBondContact O-CB 3.39Å; F851-L854 PolarHBondContact O-N 2.67Å; I852-L854 PolarHBondContact O-N 2.82Å; L854-I856 VanDerWaalsContact C-N 3.3Å; L854-I856 PolarHBondContact O-N 3.49Å; L854-Y857 PolarHBondContact O-N 3.06Å; L854-Q858 PolarHBondContact O-N 3.26Å; L854-Q858 VanDerWaalsContact O-N 3.14Å; L854-I869 HydrophobicContact CD1-CD1 3.88Å; L854-I869 HydrophobicContact CD1-CG1 3.74Å
855	C	52	Low	48.9	Very low	13 Å²	13	71.3 Å²	71.3	9%	0.088	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-29.2	172.8	-67.5	0	0	0	0	113.7	F851 I852 L969	F851-C855 PolarHBondContact O-N 3.29Å; F851-C855 PolarHBondContact O-SG 3.02Å; I852-C855 PolarHBondContact O-N 2.94Å; C855-L969 HydrophobicContact CB-CD2 4.32Å
856	I	49.6	Very low	48.6	Very low	36 Å²	36	70 Å²	70	19%	0.185	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-49.8	173.2	-70.3	158.5	0	0	0	110.3	I852 N853 L854 L966	I852-I856 HydrophobicContact CG2-CD1 3.99Å; I852-I856 WeakPolarHBondContact O-CD1 3.47Å; I852-I856 VanDerWaalsContact O-CG1 3.29Å; I852-I856 WeakPolarHBondContact O-CG1 3.38Å; I852-I856 PolarHBondContact O-N 3.3Å; N853-I856 WeakPolarHBondContact O-CB 3.36Å; N853-I856 PolarHBondContact O-N 3.13Å; L854-I856 VanDerWaalsContact C-N 3.3Å; L854-I856 PolarHBondContact O-N 3.49Å; I856-L966 HydrophobicContact CD1-CD1 4.06Å; I856-L966 HydrophobicContact CD1-CD2 4.02Å; I856-L966 HydrophobicContact CG1-CD1 3.7Å; I856-L966 HydrophobicContact CG1-CD2 4.08Å
857	Y	45	Very low	48.2	Very low	158 Å²	158	72.2 Å²	72.2	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-75.4	-26.1	-172.3	-88.4	-69.1	0	0	0	115.5	N853 L854 E1058	N853-Y857 PolarHBondContact O-N 2.96Å; L854-Y857 PolarHBondContact O-N 3.06Å; Y857-E1058 PolarHBondContact OH-OE1 3.14Å
858	Q	47.4	Very low	47.7	Very low	88 Å²	88	73.8 Å²	73.8	41%	0.411	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	62.1	178.4	-66.5	-160	13	0	0	113.8	L854 N860 N861	L854-Q858 PolarHBondContact O-N 3.26Å; L854-Q858 VanDerWaalsContact O-N 3.14Å; Q858-N860 PolarHBondContact O-N 2.71Å; Q858-N861 PolarHBondContact O-N 3.03Å
859	R	43.6	Very low	47.4	Very low	131 Å²	131	76.5 Å²	76.5	49%	0.494	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-17.3	-179.8	-156.8	173.1	-172.3	176.5	2	116.6
860	N	39.7	Very low	46.6	Very low	141 Å²	141	79.5 Å²	79.5	75%	0.754	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	4.5	-179.8	-68	-15.1	0	0	0	114.7	Q858	Q858-N860 PolarHBondContact O-N 2.71Å
861	N	45.5	Very low	45.6	Very low	72 Å²	72	79.2 Å²	79.2	39%	0.385	38%	0.381	S	S	.	.			trans	-150.1	42.7	-176	-97.5	-64.9	0	0	0	112.8	Q858 E863 K864 S865	Q858-N861 PolarHBondContact O-N 3.03Å; N861-E863 VanDerWaalsContact C-N 3.25Å; N861-E863 PolarHBondContact O-N 3.28Å; N861-K864 PolarHBondContact O-N 2.98Å; N861-K864 VanDerWaalsContact O-N 3.12Å; N861-S865 PolarHBondContact O-N 2.87Å
862	W	45.3	Very low	44.2	Very low	95 Å²	95	87.7 Å²	87.7	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-58	-34.7	-178.3	63.3	-92.2	0	0	0	113.1	K864 S865 L866 L891	W862-K864 VanDerWaalsContact C-N 3.33Å; W862-K864 PolarHBondContact O-N 3.33Å; W862-S865 WeakPolarHBondContact O-CA 3.12Å; W862-S865 WeakPolarHBondContact O-CB 3.45Å; W862-S865 PolarHBondContact O-N 3.29Å; W862-S865 VanDerWaalsContact O-N 3.09Å; W862-L866 PolarHBondContact O-N 3.15Å; W862-L891 HydrophobicContact CD2-CD1 4.47Å; W862-L891 HydrophobicContact CE3-CD1 3.64Å; W862-L891 HydrophobicContact CH2-CD1 4.4Å; W862-L891 HydrophobicContact CZ3-CD1 3.6Å
863	E	42.8	Very low	42.8	Very low	121 Å²	121	94.7 Å²	94.7	57%	0.565	46%	0.456	S	S	*	.	H	α-helix	trans	-57.5	-41.3	175.4	-63.1	171	-173.1	0	0	112.6	N861 L866 L867	N861-E863 VanDerWaalsContact C-N 3.25Å; N861-E863 PolarHBondContact O-N 3.28Å; E863-L866 VanDerWaalsContact O-CB 3.27Å; E863-L866 WeakPolarHBondContact O-CB 3.27Å; E863-L866 PolarHBondContact O-N 2.95Å; E863-L867 PolarHBondContact O-N 3.44Å
864	K	46.6	Very low	41.7	Very low	129 Å²	129	104.4 Å²	104.4	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-71.7	-32.4	176.2	-68	-173.6	179.1	-179.9	0	112.2	N861 W862 L866 L867 L868	N861-K864 PolarHBondContact O-N 2.98Å; N861-K864 VanDerWaalsContact O-N 3.12Å; W862-K864 VanDerWaalsContact C-N 3.33Å; W862-K864 PolarHBondContact O-N 3.33Å; K864-L866 VanDerWaalsContact C-N 3.29Å; K864-L867 PolarHBondContact O-N 2.89Å; K864-L868 PolarHBondContact O-N 3.36Å
865	S	44.7	Very low	40.6	Very low	6 Å²	6	109 Å²	109	4%	0.042	51%	0.511	C	S	.	.	H	α-helix	trans	-67.4	-33.1	173	-60.1	0	0	0	0	111.6	N861 W862 L867 L868	N861-S865 PolarHBondContact O-N 2.87Å; W862-S865 WeakPolarHBondContact O-CA 3.12Å; W862-S865 WeakPolarHBondContact O-CB 3.45Å; W862-S865 PolarHBondContact O-N 3.29Å; W862-S865 VanDerWaalsContact O-N 3.09Å; S865-L867 VanDerWaalsContact C-N 3.31Å; S865-L867 PolarHBondContact O-N 3.38Å; S865-L868 PolarHBondContact O-N 3.01Å
866	L	41.6	Very low	39.5	Very low	23 Å²	23	116.5 Å²	116.5	12%	0.12	55%	0.549	C	S	.	.	H	α-helix	trans	-62.9	-35.4	173	-133.3	80.8	0	0	0	112.5	F851 W862 E863 K864 Y884 I887	F851-L866 HydrophobicContact CE2-CD1 3.84Å; W862-L866 PolarHBondContact O-N 3.15Å; E863-L866 VanDerWaalsContact O-CB 3.27Å; E863-L866 WeakPolarHBondContact O-CB 3.27Å; E863-L866 PolarHBondContact O-N 2.95Å; K864-L866 VanDerWaalsContact C-N 3.29Å; L866-Y884 HydrophobicContact CD2-CD1 3.93Å; L866-Y884 HydrophobicContact CD2-CE1 3.94Å; L866-Y884 HydrophobicContact CG-CD1 4.19Å; L866-Y884 HydrophobicContact CG-CE1 3.78Å; L866-Y884 WeakPolarHBondContact O-CE1 3.13Å; L866-Y884 PolarHBondContact O-OH 3.28Å; L866-I887 HydrophobicContact CD1-CG2 4.04Å
867	L	42.1	Very low	38.8	Very low	125 Å²	125	119.9 Å²	119.9	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-76.2	-37.5	175.6	-85.9	155.9	0	0	0	113	E863 K864 S865 I869 N870	E863-L867 PolarHBondContact O-N 3.44Å; K864-L867 PolarHBondContact O-N 2.89Å; S865-L867 VanDerWaalsContact C-N 3.31Å; S865-L867 PolarHBondContact O-N 3.38Å; L867-I869 PolarHBondContact O-N 2.91Å; L867-N870 PolarHBondContact O-N 2.93Å; L867-N870 VanDerWaalsContact O-N 3.1Å
868	L	43.6	Very low	38.7	Very low	105 Å²	105	119.9 Å²	119.9	55%	0.55	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-21.6	179.8	-102.1	154.6	0	0	0	114.1	K864 S865 N870	K864-L868 PolarHBondContact O-N 3.36Å; S865-L868 PolarHBondContact O-N 3.01Å; L868-N870 PolarHBondContact O-N 3.37Å
869	I	42.5	Very low	38.3	Very low	74 Å²	74	121.7 Å²	121.7	38%	0.379	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-26.9	174.2	-68.7	167.4	0	0	0	112	L854 L867 N871	L854-I869 HydrophobicContact CD1-CD1 3.88Å; L854-I869 HydrophobicContact CD1-CG1 3.74Å; L867-I869 PolarHBondContact O-N 2.91Å; I869-N871 VanDerWaalsContact C-N 3.32Å; I869-N871 PolarHBondContact O-N 3.4Å
870	N	34.7	Very low	38.2	Very low	92 Å²	92	118.8 Å²	118.8	49%	0.492	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	6.4	-176.3	-82.5	-20.5	0	0	0	115.3	L867 L868 F872 Y884	L867-N870 PolarHBondContact O-N 2.93Å; L867-N870 VanDerWaalsContact O-N 3.1Å; L868-N870 PolarHBondContact O-N 3.37Å; N870-F872 PolarHBondContact O-N 3.29Å; N870-Y884 VanDerWaalsContact CG-OH 3.3Å; N870-Y884 PolarHBondContact ND2-OH 3.4Å; N870-Y884 PolarHBondContact OD1-OH 3.27Å
871	N	34.6	Very low	38.6	Very low	138 Å²	138	116 Å²	116	74%	0.738	56%	0.56	S	S	*	*			trans	-81.9	18.5	175.5	-91.7	7.4	0	0	0	114.4	I869	I869-N871 VanDerWaalsContact C-N 3.32Å; I869-N871 PolarHBondContact O-N 3.4Å
872	F	27	Very low	38.9	Very low	190 Å²	190	116.8 Å²	116.8	83%	0.833	56%	0.564	S	S	*	*	S	Bend	trans	-116.2	102.1	166	-90.3	-85.7	0	0	0	110.5	N870	N870-F872 PolarHBondContact O-N 3.29Å
873	N	28.8	Very low	39	Very low	149 Å²	149	113.5 Å²	113.5	80%	0.797	55%	0.554	S	S	*	*			trans	61.7	129.5	175.3	-67.9	2.2	0	0	0	118.5	E875	N873-E875 PolarHBondContact O-N 3.48Å
874	Y	26.5	Very low	39.2	Very low	246 Å²	246	110.3 Å²	110.3	97%	0.965	54%	0.537	S	S	*	.	S	Bend	trans	-71.4	82.7	164.2	-94.2	-107.1	0	0	0	110.5
875	E	28.5	Very low	39.6	Very low	157 Å²	157	110.3 Å²	110.3	73%	0.734	54%	0.537	S	S	*	.			trans	-159.7	121.3	156.2	-117.7	164.8	-145.2	0	0	111.4	N873 N877	N873-E875 PolarHBondContact O-N 3.48Å; E875-N877 PolarHBondContact O-N 2.81Å
876	L	30.1	Very low	40	Very low	170 Å²	170	112 Å²	112	89%	0.89	54%	0.543	S	S	*	.			trans	-82.3	77.1	-173.3	-90.4	115.5	0	0	0	112.5
877	N	35.2	Very low	40.8	Very low	107 Å²	107	111.7 Å²	111.7	57%	0.572	54%	0.542	S	S	*	.			trans	-67.4	133.5	170.6	-81.1	-29.4	0	0	0	112.3	E875 E879 N880	E875-N877 PolarHBondContact O-N 2.81Å; N877-E879 PolarHBondContact O-N 3.4Å; N877-E879 VanDerWaalsContact O-N 3.1Å; N877-N880 PolarHBondContact O-N 2.76Å
878	H	40.9	Very low	41.2	Very low	158 Å²	158	109.3 Å²	109.3	73%	0.731	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-23.2	-166.7	-151.1	-64.3	0	0	0	114	L882	H878-L882 PolarHBondContact O-N 2.87Å
879	E	40.2	Very low	41.9	Very low	126 Å²	126	108.9 Å²	108.9	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-67	-37.9	175.1	-59.2	-171.3	139.8	0	0	112.8	N877 L881 L882 L883	N877-E879 PolarHBondContact O-N 3.4Å; N877-E879 VanDerWaalsContact O-N 3.1Å; E879-L881 VanDerWaalsContact C-N 3.35Å; E879-L881 PolarHBondContact O-N 3.09Å; E879-L882 PolarHBondContact O-N 3.04Å; E879-L883 PolarHBondContact O-N 3.09Å
880	N	41.7	Very low	42.7	Very low	70 Å²	70	105.5 Å²	105.5	37%	0.374	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-40.9	179.6	-71.9	-23.3	0	0	0	110.3	N877 L882 L883 Y884	N877-N880 PolarHBondContact O-N 2.76Å; N880-L882 VanDerWaalsContact C-N 3.29Å; N880-L882 PolarHBondContact O-N 3Å; N880-L883 WeakPolarHBondContact O-CB 3.37Å; N880-L883 PolarHBondContact O-N 2.99Å; N880-L883 VanDerWaalsContact O-N 3.17Å; N880-Y884 VanDerWaalsContact O-CD2 3.3Å; N880-Y884 WeakPolarHBondContact O-CD2 3.31Å; N880-Y884 PolarHBondContact O-N 2.94Å
881	L	47.1	Very low	43.6	Very low	83 Å²	83	102.6 Å²	102.6	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-35.3	176	-176	62.6	0	0	0	112.4	E879 K885	E879-L881 VanDerWaalsContact C-N 3.35Å; E879-L881 PolarHBondContact O-N 3.09Å; L881-K885 WeakPolarHBondContact O-CG 3.34Å; L881-K885 PolarHBondContact O-N 2.85Å; L881-K885 VanDerWaalsContact O-N 3.16Å
882	L	51.5	Low	44.7	Very low	88 Å²	88	100.3 Å²	100.3	46%	0.461	48%	0.477	S	S	.	.	H	α-helix	trans	-69.1	-41.4	173.5	-173.6	64	0	0	0	111.3	H878 E879 N880 K885 K886	H878-L882 PolarHBondContact O-N 2.87Å; E879-L882 PolarHBondContact O-N 3.04Å; N880-L882 VanDerWaalsContact C-N 3.29Å; N880-L882 PolarHBondContact O-N 3Å; L882-K885 PolarHBondContact O-N 2.8Å; L882-K886 WeakPolarHBondContact O-CG 3.44Å; L882-K886 PolarHBondContact O-N 2.97Å
883	L	48.5	Very low	46.1	Very low	27 Å²	27	92.8 Å²	92.8	14%	0.141	45%	0.447	C	S	.	.	H	α-helix	trans	-58.9	-47.6	174.8	176.1	59	0	0	0	111.8	K847 E879 N880 K885 K886 I887 Y977	K847-L883 HydrophobicContact CD-CD2 4.46Å; E879-L883 PolarHBondContact O-N 3.09Å; N880-L883 WeakPolarHBondContact O-CB 3.37Å; N880-L883 PolarHBondContact O-N 2.99Å; N880-L883 VanDerWaalsContact O-N 3.17Å; L883-K885 PolarHBondContact O-N 3.13Å; L883-K886 PolarHBondContact O-N 3.13Å; L883-I887 HydrophobicContact CD1-CD1 3.83Å; L883-I887 HydrophobicContact CD1-CG1 4.27Å; L883-I887 HydrophobicContact CG-CD1 3.98Å; L883-I887 WeakPolarHBondContact O-CG1 3.11Å; L883-I887 PolarHBondContact O-N 2.85Å; L883-Y977 WeakPolarHBondContact CD1-OH 3.46Å
884	Y	46.9	Very low	47.3	Very low	54 Å²	54	86.5 Å²	86.5	21%	0.212	41%	0.413	C	S	.	.	H	α-helix	trans	-56.3	-48.7	173.5	-89	-82.3	0	0	0	111.7	L866 N870 N880 K886 I887 D888	L866-Y884 HydrophobicContact CD2-CD1 3.93Å; L866-Y884 HydrophobicContact CD2-CE1 3.94Å; L866-Y884 HydrophobicContact CG-CD1 4.19Å; L866-Y884 HydrophobicContact CG-CE1 3.78Å; L866-Y884 WeakPolarHBondContact O-CE1 3.13Å; L866-Y884 PolarHBondContact O-OH 3.28Å; N870-Y884 VanDerWaalsContact CG-OH 3.3Å; N870-Y884 PolarHBondContact ND2-OH 3.4Å; N870-Y884 PolarHBondContact OD1-OH 3.27Å; N880-Y884 VanDerWaalsContact O-CD2 3.3Å; N880-Y884 WeakPolarHBondContact O-CD2 3.31Å; N880-Y884 PolarHBondContact O-N 2.94Å; Y884-K886 VanDerWaalsContact C-N 3.31Å; Y884-K886 PolarHBondContact O-N 3.48Å; Y884-I887 PolarHBondContact O-N 3.23Å; Y884-D888 PolarHBondContact O-N 2.91Å
885	K	53.8	Low	48.4	Very low	129 Å²	129	82.1 Å²	82.1	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-63.3	-31.5	178.2	-74.2	-179.5	179.6	-178.3	0	113.9	L881 L882 L883 K889	L881-K885 WeakPolarHBondContact O-CG 3.34Å; L881-K885 PolarHBondContact O-N 2.85Å; L881-K885 VanDerWaalsContact O-N 3.16Å; L882-K885 PolarHBondContact O-N 2.8Å; L883-K885 PolarHBondContact O-N 3.13Å; K885-K889 WeakPolarHBondContact O-CG 3.44Å; K885-K889 PolarHBondContact O-N 2.91Å
886	K	55	Low	49.7	Very low	40 Å²	40	81.2 Å²	81.2	17%	0.174	39%	0.391	C	S	.	.	H	α-helix	trans	-71.4	-43.4	173.3	-71.1	-173.2	173.7	-159.5	0	111.1	L882 L883 Y884 K889 I890 Y976	L882-K886 WeakPolarHBondContact O-CG 3.44Å; L882-K886 PolarHBondContact O-N 2.97Å; L883-K886 PolarHBondContact O-N 3.13Å; Y884-K886 VanDerWaalsContact C-N 3.31Å; Y884-K886 PolarHBondContact O-N 3.48Å; K886-K889 PolarHBondContact O-N 3.4Å; K886-I890 WeakPolarHBondContact O-CD1 3.28Å; K886-I890 VanDerWaalsContact O-CG1 3.26Å; K886-I890 WeakPolarHBondContact O-CG1 3.44Å; K886-I890 PolarHBondContact O-N 3.33Å; K886-I890 VanDerWaalsContact O-N 3.09Å; K886-Y976 HydrophobicContact CB-CD1 4.2Å; K886-Y976 HydrophobicContact CB-CE1 4.16Å; K886-Y976 HydrophobicContact CD-CD1 3.73Å; K886-Y976 HydrophobicContact CD-CE1 3.66Å; K886-Y976 HydrophobicContact CG-CD1 3.93Å; K886-Y976 HydrophobicContact CG-CE1 3.55Å
887	I	56.6	Low	50.8	Low	18 Å²	18	74 Å²	74	9%	0.092	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-44.2	177.7	-72.6	169.1	0	0	0	111.8	F851 L866 L883 Y884 K889 I890 L891	F851-I887 HydrophobicContact CD2-CD1 4.24Å; F851-I887 HydrophobicContact CD2-CG2 4.31Å; F851-I887 HydrophobicContact CE1-CG2 4.11Å; F851-I887 HydrophobicContact CE2-CD1 4.48Å; F851-I887 HydrophobicContact CE2-CG2 3.52Å; F851-I887 HydrophobicContact CG-CD1 4.32Å; F851-I887 HydrophobicContact CZ-CG2 3.4Å; F851-I887 VanDerWaalsContact CZ-CG2 3.4Å; L866-I887 HydrophobicContact CD1-CG2 4.04Å; L883-I887 HydrophobicContact CD1-CD1 3.83Å; L883-I887 HydrophobicContact CD1-CG1 4.27Å; L883-I887 HydrophobicContact CG-CD1 3.98Å; L883-I887 WeakPolarHBondContact O-CG1 3.11Å; L883-I887 PolarHBondContact O-N 2.85Å; Y884-I887 PolarHBondContact O-N 3.23Å; I887-K889 PolarHBondContact O-N 3.37Å; I887-I890 WeakPolarHBondContact O-CB 3.36Å; I887-I890 PolarHBondContact O-N 3.2Å; I887-L891 HydrophobicContact CG2-CD1 3.9Å; I887-L891 HydrophobicContact CG2-CG 4.42Å; I887-L891 WeakPolarHBondContact O-CG 3.35Å; I887-L891 PolarHBondContact O-N 3.19Å
888	D	52.1	Low	51.6	Low	75 Å²	75	70.9 Å²	70.9	40%	0.401	34%	0.336	S	S	.	.	H	α-helix	trans	-58.3	-47.4	176.8	-107.2	6.8	0	0	0	111.7	Y884 I890 L891 I892	Y884-D888 PolarHBondContact O-N 2.91Å; D888-I890 VanDerWaalsContact C-N 3.34Å; D888-I890 PolarHBondContact O-N 3.19Å; D888-L891 PolarHBondContact O-N 3.01Å; D888-I892 WeakPolarHBondContact O-CB 3.41Å; D888-I892 WeakPolarHBondContact O-CD1 3.45Å; D888-I892 VanDerWaalsContact O-CG1 3.25Å; D888-I892 WeakPolarHBondContact O-CG1 3.21Å; D888-I892 PolarHBondContact O-N 3Å
889	K	57.9	Low	52	Low	95 Å²	95	66.7 Å²	66.7	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-56.9	-46.6	175.1	-76.2	178.4	174.3	-175.2	0	111.6	K885 K886 I887 L891 I892 T893 Y976	K885-K889 WeakPolarHBondContact O-CG 3.44Å; K885-K889 PolarHBondContact O-N 2.91Å; K886-K889 PolarHBondContact O-N 3.4Å; I887-K889 PolarHBondContact O-N 3.37Å; K889-L891 PolarHBondContact O-N 2.68Å; K889-I892 PolarHBondContact O-N 3.39Å; K889-T893 WeakPolarHBondContact O-CB 3.45Å; K889-T893 PolarHBondContact O-N 2.83Å; K889-T893 PolarHBondContact O-OG1 3.42Å; K889-T893 VanDerWaalsContact O-OG1 3.07Å; K889-Y976 HydrophobicContact CB-CE2 4.46Å; K889-Y976 HydrophobicContact CD-CE2 4.3Å; K889-Y976 WeakPolarHBondContact CD-OH 3.47Å; K889-Y976 PolarHBondContact NZ-OH 3.46Å
890	I	59.3	Low	52.2	Low	3 Å²	3	65 Å²	65	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-46.4	178.7	-70.1	166.3	0	0	0	111	K886 I887 D888 T893 I894 L969 I972 Y976	K886-I890 WeakPolarHBondContact O-CD1 3.28Å; K886-I890 VanDerWaalsContact O-CG1 3.26Å; K886-I890 WeakPolarHBondContact O-CG1 3.44Å; K886-I890 PolarHBondContact O-N 3.33Å; K886-I890 VanDerWaalsContact O-N 3.09Å; I887-I890 WeakPolarHBondContact O-CB 3.36Å; I887-I890 PolarHBondContact O-N 3.2Å; D888-I890 VanDerWaalsContact C-N 3.34Å; D888-I890 PolarHBondContact O-N 3.19Å; I890-T893 PolarHBondContact O-N 3.22Å; I890-I894 HydrophobicContact CG2-CD1 3.9Å; I890-I894 WeakPolarHBondContact O-CD1 3.44Å; I890-I894 VanDerWaalsContact O-CG1 3.28Å; I890-I894 WeakPolarHBondContact O-CG1 3.29Å; I890-I894 PolarHBondContact O-N 2.96Å; I890-L969 HydrophobicContact CG2-CD1 4.12Å; I890-I972 HydrophobicContact CB-CG2 4.24Å; I890-I972 HydrophobicContact CG1-CG2 3.99Å; I890-I972 HydrophobicContact CG2-CG2 3.79Å; I890-Y976 HydrophobicContact CD1-CD2 4.41Å; I890-Y976 HydrophobicContact CD1-CG 4.19Å; I890-Y976 HydrophobicContact CG1-CD2 4.03Å; I890-Y976 HydrophobicContact CG1-CG 4.32Å
891	L	53.3	Low	52.2	Low	31 Å²	31	72.4 Å²	72.4	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-66.6	-41	179.1	-69.9	171.6	0	0	0	112.4	F851 W862 I887 D888 K889 I894 Y895	F851-L891 HydrophobicContact CZ-CD1 4.13Å; F851-L891 HydrophobicContact CZ-CD2 4.22Å; F851-L891 HydrophobicContact CZ-CG 4.3Å; W862-L891 HydrophobicContact CD2-CD1 4.47Å; W862-L891 HydrophobicContact CE3-CD1 3.64Å; W862-L891 HydrophobicContact CH2-CD1 4.4Å; W862-L891 HydrophobicContact CZ3-CD1 3.6Å; I887-L891 HydrophobicContact CG2-CD1 3.9Å; I887-L891 HydrophobicContact CG2-CG 4.42Å; I887-L891 WeakPolarHBondContact O-CG 3.35Å; I887-L891 PolarHBondContact O-N 3.19Å; D888-L891 PolarHBondContact O-N 3.01Å; K889-L891 PolarHBondContact O-N 2.68Å; L891-I894 PolarHBondContact O-N 3.14Å; L891-Y895 WeakPolarHBondContact O-CB 3.25Å; L891-Y895 PolarHBondContact O-N 2.96Å
892	I	58.1	Low	52.5	Low	90 Å²	90	71.9 Å²	71.9	46%	0.462	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-45.1	174.7	-69.4	164.6	0	0	0	110.6	D888 K889 I894 Y895 Q896	D888-I892 WeakPolarHBondContact O-CB 3.41Å; D888-I892 WeakPolarHBondContact O-CD1 3.45Å; D888-I892 VanDerWaalsContact O-CG1 3.25Å; D888-I892 WeakPolarHBondContact O-CG1 3.21Å; D888-I892 PolarHBondContact O-N 3Å; K889-I892 PolarHBondContact O-N 3.39Å; I892-I894 PolarHBondContact O-N 2.92Å; I892-Y895 PolarHBondContact O-N 3.49Å; I892-Q896 HydrophobicContact CG2-CG 4.39Å; I892-Q896 WeakPolarHBondContact O-CB 3.39Å; I892-Q896 VanDerWaalsContact O-CG 3.3Å; I892-Q896 WeakPolarHBondContact O-CG 3.43Å; I892-Q896 PolarHBondContact O-N 3.4Å
893	T	55.3	Low	52.5	Low	32 Å²	32	75.1 Å²	75.1	20%	0.196	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-43.6	175.2	-63.3	0	0	0	0	111.9	K889 I890 Y895 Q896 S897 I972 F1026	K889-T893 WeakPolarHBondContact O-CB 3.45Å; K889-T893 PolarHBondContact O-N 2.83Å; K889-T893 PolarHBondContact O-OG1 3.42Å; K889-T893 VanDerWaalsContact O-OG1 3.07Å; I890-T893 PolarHBondContact O-N 3.22Å; T893-Y895 PolarHBondContact O-N 3.48Å; T893-Q896 PolarHBondContact O-N 3.31Å; T893-S897 WeakPolarHBondContact O-CB 3.37Å; T893-S897 PolarHBondContact O-N 3.43Å; T893-S897 PolarHBondContact O-OG 3.04Å; T893-I972 HydrophobicContact CG2-CD1 4.12Å; T893-F1026 HydrophobicContact CG2-CD2 4.32Å; T893-F1026 HydrophobicContact CG2-CE1 4.48Å; T893-F1026 HydrophobicContact CG2-CE2 3.51Å; T893-F1026 HydrophobicContact CG2-CZ 3.61Å
894	I	54.5	Low	52.7	Low	17 Å²	17	80.2 Å²	80.2	9%	0.087	37%	0.367	C	S	.	.	H	α-helix	trans	-60.8	-46.4	176.9	-70.2	162	0	0	0	110.4	I890 L891 I892 Q896 S897 Y898 L969 I972	I890-I894 HydrophobicContact CG2-CD1 3.9Å; I890-I894 WeakPolarHBondContact O-CD1 3.44Å; I890-I894 VanDerWaalsContact O-CG1 3.28Å; I890-I894 WeakPolarHBondContact O-CG1 3.29Å; I890-I894 PolarHBondContact O-N 2.96Å; L891-I894 PolarHBondContact O-N 3.14Å; I892-I894 PolarHBondContact O-N 2.92Å; I894-Q896 PolarHBondContact O-N 3.3Å; I894-S897 PolarHBondContact O-N 3.07Å; I894-S897 PolarHBondContact O-OG 3.26Å; I894-Y898 PolarHBondContact O-N 3.48Å; I894-L969 HydrophobicContact CD1-CB 3.99Å; I894-L969 HydrophobicContact CD1-CD1 3.42Å; I894-L969 VanDerWaalsContact CD1-CD1 3.42Å; I894-L969 HydrophobicContact CD1-CG 4.29Å; I894-I972 HydrophobicContact CD1-CD1 4.38Å; I894-I972 HydrophobicContact CG1-CD1 3.54Å
895	Y	50.5	Low	53.5	Low	154 Å²	154	78.1 Å²	78.1	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-41.3	178.2	-168.7	-97.3	0	0	0	112.3	L891 I892 T893 Y898 Q900	L891-Y895 WeakPolarHBondContact O-CB 3.25Å; L891-Y895 PolarHBondContact O-N 2.96Å; I892-Y895 PolarHBondContact O-N 3.49Å; T893-Y895 PolarHBondContact O-N 3.48Å; Y895-Y898 PolarHBondContact O-N 3.43Å; Y895-Q900 PolarHBondContact OH-NE2 2.85Å
896	Q	55	Low	53.6	Low	138 Å²	138	76 Å²	76	65%	0.645	36%	0.361	S	S	*	.	H	α-helix	trans	-66.6	-35.6	174.2	-72.1	170.3	-17.7	0	0	112.6	I892 T893 I894 Y898	I892-Q896 HydrophobicContact CG2-CG 4.39Å; I892-Q896 WeakPolarHBondContact O-CB 3.39Å; I892-Q896 VanDerWaalsContact O-CG 3.3Å; I892-Q896 WeakPolarHBondContact O-CG 3.43Å; I892-Q896 PolarHBondContact O-N 3.4Å; T893-Q896 PolarHBondContact O-N 3.31Å; I894-Q896 PolarHBondContact O-N 3.3Å; Q896-Y898 PolarHBondContact O-N 3.44Å
897	S	53.2	Low	53.7	Low	20 Å²	20	76.2 Å²	76.2	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-73	-8.8	175.3	79.7	0	0	0	0	114.3	T893 I894 S906	T893-S897 WeakPolarHBondContact O-CB 3.37Å; T893-S897 PolarHBondContact O-N 3.43Å; T893-S897 PolarHBondContact O-OG 3.04Å; I894-S897 PolarHBondContact O-N 3.07Å; I894-S897 PolarHBondContact O-OG 3.26Å; S897-S906 PolarHBondContact O-N 3.39Å; S897-S906 PolarHBondContact O-OG 3.17Å
898	Y	51.9	Low	53.4	Low	40 Å²	40	79.5 Å²	79.5	16%	0.157	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	83.2	175.9	-174.5	-97.5	0	0	0	110.4	I894 Y895 Q896 Q900 P960	I894-Y898 PolarHBondContact O-N 3.48Å; Y895-Y898 PolarHBondContact O-N 3.43Å; Q896-Y898 PolarHBondContact O-N 3.44Å; Y898-Q900 PolarHBondContact O-N 2.87Å; Y898-P960 PolarHBondContact OH-O 3.42Å
899	N	49.8	Very low	53.3	Low	70 Å²	70	82.6 Å²	82.6	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	108.7	-173.9	-173.3	-22.2	0	0	0	111.7	Y901 T902 K903	N899-Y901 PolarHBondContact O-N 2.77Å; N899-Y901 PolarHBondContact OD1-N 3.12Å; N899-Y901 VanDerWaalsContact OD1-N 3.16Å; N899-T902 PolarHBondContact O-N 2.86Å; N899-T902 PolarHBondContact O-OG1 3.27Å; N899-K903 PolarHBondContact O-N 3.4Å
900	Q	43.2	Very low	53.1	Low	90 Å²	90	79.5 Å²	79.5	42%	0.421	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.4	-172.6	-61.3	-164.2	-3	0	0	114.2	Y895 Y898	Y895-Q900 PolarHBondContact OH-NE2 2.85Å; Y898-Q900 PolarHBondContact O-N 2.87Å
901	Y	42.9	Very low	52.5	Low	226 Å²	226	84.7 Å²	84.7	89%	0.886	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-29.1	179.8	-79.9	-88.4	0	0	0	113.3	N899	N899-Y901 PolarHBondContact O-N 2.77Å; N899-Y901 PolarHBondContact OD1-N 3.12Å; N899-Y901 VanDerWaalsContact OD1-N 3.16Å
902	T	52.3	Low	51.6	Low	72 Å²	72	86.9 Å²	86.9	44%	0.442	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-15.5	-172.2	63.6	0	0	0	0	114.2	N899 K904	N899-T902 PolarHBondContact O-N 2.86Å; N899-T902 PolarHBondContact O-OG1 3.27Å; T902-K904 PolarHBondContact O-N 2.96Å; T902-K904 VanDerWaalsContact O-N 3.08Å; T902-K904 PolarHBondContact OG1-N 3.25Å
903	K	51.9	Low	50.1	Low	156 Å²	156	90.2 Å²	90.2	68%	0.678	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	18.9	-168.2	-59.6	-179.8	-179.2	173.7	0	113.7	N899	N899-K903 PolarHBondContact O-N 3.4Å
904	K	54.2	Low	48.7	Very low	134 Å²	134	96 Å²	96	58%	0.583	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.1	176.2	-70.2	-178.1	-178	-177.8	0	109.4	T902	T902-K904 PolarHBondContact O-N 2.96Å; T902-K904 VanDerWaalsContact O-N 3.08Å; T902-K904 PolarHBondContact OG1-N 3.25Å
905	C	61.9	Low	47.3	Very low	11 Å²	11	102.8 Å²	102.8	7%	0.074	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.5	-178.8	-171.6	0	0	0	0	109.2	W907 C910 H911 C962 H968	C905-W907 PolarHBondContact O-N 2.89Å; C905-C910 HydrophobicContact CB-CB 4.39Å; C905-H911 PolarHBondContact O-CD2 3.49Å; C905-H911 VanDerWaalsContact O-CD2 3.23Å; C905-H911 PolarHBondContact O-NE2 3.32Å; C905-C962 HydrophobicContact CB-CB 3.86Å; C905-H968 VanDerWaalsContact SG-CE1 3.57Å
906	S	56.9	Low	46.1	Very low	83 Å²	83	103 Å²	103	58%	0.58	52%	0.519	S	S	*	.			trans	-69.8	14.8	-171.4	-44.8	0	0	0	0	114.8	S897	S897-S906 PolarHBondContact O-N 3.39Å; S897-S906 PolarHBondContact O-OG 3.17Å
907	W	58	Low	44.7	Very low	46 Å²	46	103.3 Å²	103.3	17%	0.174	53%	0.525	C	S	.	.			trans	-85.7	130.3	-176.3	-92.2	63.3	0	0	0	111.5	C905 K909 C910 H968 D971 I972	C905-W907 PolarHBondContact O-N 2.89Å; W907-K909 VanDerWaalsContact C-N 3.28Å; W907-K909 PolarHBondContact O-N 3.03Å; W907-K909 VanDerWaalsContact O-N 3.14Å; W907-C910 HydrophobicContact CB-CB 4.23Å; W907-C910 WeakPolarHBondContact O-CB 3.4Å; W907-C910 PolarHBondContact O-N 3.2Å; W907-H968 AromaticContact CD1-CE1 3.92Å; W907-H968 AromaticContact CD1-ND1 3.57Å; W907-H968 HydrophobicContact CD2-CB 3.93Å; W907-H968 AromaticContact CD2-CD2 3.42Å; W907-H968 VanDerWaalsContact CD2-CD2 3.42Å; W907-H968 AromaticContact CD2-CE1 3.74Å; W907-H968 AromaticContact CD2-CG 3.38Å; W907-H968 AromaticContact CD2-ND1 3.57Å; W907-H968 AromaticContact CD2-NE2 3.68Å; W907-H968 AromaticContact CE2-CG 3.58Å; W907-H968 AromaticContact CE2-ND1 3.89Å; W907-H968 HydrophobicContact CE3-CB 4.22Å; W907-H968 AromaticContact CE3-CD2 3.2Å; W907-H968 AromaticContact CE3-CG 3.64Å; W907-H968 AromaticContact CE3-NE2 3.61Å; W907-H968 AromaticContact CG-CD2 3.95Å; W907-H968 AromaticContact CG-CE1 3.4Å; W907-H968 VanDerWaalsContact CG-CE1 3.4Å; W907-H968 AromaticContact CG-CG 3.8Å; W907-H968 AromaticContact CG-ND1 3.44Å; W907-H968 AromaticContact CG-NE2 3.74Å; W907-H968 HydrophobicContact CH2-CB 4Å; W907-H968 HydrophobicContact CZ2-CB 3.67Å; W907-H968 HydrophobicContact CZ3-CB 4.23Å; W907-H968 AromaticContact CZ3-CD2 3.7Å; W907-H968 AromaticContact NE1-CG 3.93Å; W907-H968 AromaticContact NE1-ND1 3.81Å; W907-D971 HydrophobicContact CH2-CB 3.65Å; W907-D971 HydrophobicContact CZ3-CB 3.99Å; W907-I972 HydrophobicContact CH2-CG1 4.27Å; W907-I972 HydrophobicContact CZ2-CD1 3.79Å; W907-I972 HydrophobicContact CZ2-CG1 3.76Å
908	P	50	Low	43.7	Very low	86 Å²	86	109.9 Å²	109.9	56%	0.558	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-53.2	-41.6	-173.6	-29.7	35.5	0	0	0	114.2	C910	P908-C910 VanDerWaalsContact C-N 3.27Å; P908-C910 PolarHBondContact O-N 3.36Å
909	K	48.4	Very low	42.3	Very low	141 Å²	141	112.3 Å²	112.3	61%	0.613	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-78.9	0	-178.6	-62.2	177	-179	172	0	114.5	W907	W907-K909 VanDerWaalsContact C-N 3.28Å; W907-K909 PolarHBondContact O-N 3.03Å; W907-K909 VanDerWaalsContact O-N 3.14Å
910	C	55.4	Low	41.4	Very low	30 Å²	30	115 Å²	115	20%	0.203	60%	0.604	C	S	.	*	G	3₁₀ helix	trans	-94.8	-12.9	-179.6	-80.7	0	0	0	0	115	C905 W907 P908 C962 H968	C905-C910 HydrophobicContact CB-CB 4.39Å; W907-C910 HydrophobicContact CB-CB 4.23Å; W907-C910 WeakPolarHBondContact O-CB 3.4Å; W907-C910 PolarHBondContact O-N 3.2Å; P908-C910 VanDerWaalsContact C-N 3.27Å; P908-C910 PolarHBondContact O-N 3.36Å; C910-C962 VanDerWaalsContact SG-SG 3.6Å; C910-H968 PolarHBondContact SG-CE1 2.78Å; C910-H968 PolarHBondContact SG-NE2 3.3Å; C910-H968 VanDerWaalsContact SG-NE2 3.39Å
911	H	46.9	Very low	40.6	Very low	112 Å²	112	116.4 Å²	116.4	52%	0.519	62%	0.619	S	S	.	*	S	Bend	trans	-118.7	-2.7	-177	-78.3	-59.6	0	0	0	114.6	C905 N913	C905-H911 PolarHBondContact O-CD2 3.49Å; C905-H911 VanDerWaalsContact O-CD2 3.23Å; C905-H911 PolarHBondContact O-NE2 3.32Å; H911-N913 PolarHBondContact O-N 3.07Å; H911-N913 VanDerWaalsContact O-N 3.17Å
912	S	33	Very low	39.9	Very low	77 Å²	77	111.3 Å²	111.3	54%	0.538	61%	0.611	S	S	.	*	S	Bend	trans	-78.5	88.1	167.1	54.1	0	0	0	0	111.2
913	N	26.7	Very low	38.8	Very low	159 Å²	159	114.2 Å²	114.2	85%	0.85	63%	0.629	S	S	*	*	S	Bend	trans	154.3	53.3	151.1	-78.6	-3.5	0	0	0	113.3	H911	H911-N913 PolarHBondContact O-N 3.07Å; H911-N913 VanDerWaalsContact O-N 3.17Å
914	I	26.5	Very low	37.5	Very low	155 Å²	155	113.2 Å²	113.2	80%	0.795	64%	0.636	S	S	*	*			trans	-141.4	96.2	158.3	-54.7	-178.6	0	0	0	108.8
915	N	23.9	Very low	36.6	Very low	158 Å²	158	111.5 Å²	111.5	85%	0.845	64%	0.639	S	S	*	*			trans	176.5	119	149.9	-100.5	-5.3	0	0	0	110.5
916	I	26.6	Very low	34.9	Very low	159 Å²	159	116.8 Å²	116.8	82%	0.815	67%	0.671	S	S	*	*			trans	-172.1	160.1	152.1	-100	154.6	0	0	0	105.6
917	D	25.6	Very low	33.5	Very low	144 Å²	144	118 Å²	118	77%	0.77	68%	0.675	S	S	*	*			trans	70.5	123.3	-171.8	-61.7	-18.6	0	0	0	114.8
918	I	31.1	Very low	32.1	Very low	159 Å²	159	122.1 Å²	122.1	82%	0.815	70%	0.701	S	S	*	*			cis	-132.7	155.8	-0.4	-78.6	117.9	0	0	0	109.4
919	A	23.7	Very low	31	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	71%	0.71	S	S	*	*			trans	-115.8	145.1	-176.9	0	0	0	0	0	114.1
920	T	30.3	Very low	29.9	Very low	126 Å²	126	122.4 Å²	122.4	77%	0.773	71%	0.713	S	S	*	*			trans	-156.8	126	160.1	23.7	0	0	0	0	111
921	T	27.4	Very low	28.5	Very low	119 Å²	119	126.6 Å²	126.6	73%	0.73	74%	0.738	S	S	*	*			trans	41.3	134.3	142.2	60.1	0	0	0	0	120.9
922	T	27.6	Very low	27.6	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	75%	0.746	S	S	*	*			cis	-169.4	160.8	3.6	9.2	0	0	0	0	110.8
923	T	29.3	Very low	27.3	Very low	134 Å²	134	130.4 Å²	130.4	82%	0.822	76%	0.756	S	S	*	*			trans	61.5	133.4	155.6	49.6	0	0	0	0	121.5
924	T	25.1	Very low	27.4	Very low	134 Å²	134	128.7 Å²	128.7	82%	0.822	76%	0.757	S	S	*	*			trans	-111.7	-170.1	167.1	59.7	0	0	0	0	108.6
925	P	34.2	Very low	27.3	Very low	98 Å²	98	126.7 Å²	126.7	64%	0.636	76%	0.756	S	S	*	*			cis	-140	-167	-1.3	41.9	-21.4	0	0	0	116
926	T	26	Very low	27.5	Very low	122 Å²	122	126.3 Å²	126.3	75%	0.748	75%	0.752	S	S	*	*			trans	68.2	145.3	157.9	56.9	0	0	0	0	119.3
927	T	28.6	Very low	27.4	Very low	110 Å²	110	125.6 Å²	125.6	68%	0.675	75%	0.75	S	S	*	*			cis	-161	151.8	-6.1	11.6	0	0	0	0	113.1
928	N	27.7	Very low	27.5	Very low	132 Å²	132	123.2 Å²	123.2	71%	0.706	75%	0.745	S	S	*	*			trans	66.8	123	142.9	-64.3	-3.7	0	0	0	124.3
929	T	26.5	Very low	27.3	Very low	122 Å²	122	121.9 Å²	121.9	75%	0.748	74%	0.739	S	S	*	*			trans	63.4	144.3	132.7	61.1	0	0	0	0	121.1
930	T	25.7	Very low	27.4	Very low	110 Å²	110	124.6 Å²	124.6	68%	0.675	74%	0.741	S	S	*	*			cis	-170.1	151.9	-7.1	18	0	0	0	0	110.2
931	T	26	Very low	27.3	Very low	119 Å²	119	123.7 Å²	123.7	73%	0.73	74%	0.74	S	S	*	*			trans	61.8	156.8	153.9	55.8	0	0	0	0	118.7
932	N	27.3	Very low	27.4	Very low	130 Å²	130	125.4 Å²	125.4	70%	0.695	75%	0.745	S	S	*	*			cis	-157.3	158.3	-9.2	-113.6	-8.3	0	0	0	111.4
933	N	26.4	Very low	27.3	Very low	139 Å²	139	124 Å²	124	74%	0.743	74%	0.74	S	S	*	*			trans	29.4	128	148.5	-55.6	-14.4	0	0	0	122.3
934	S	28.9	Very low	27.1	Very low	123 Å²	123	124 Å²	124	86%	0.86	74%	0.735	S	S	*	*				-172.1	175.3	110.1	34.9	0	0	0	0	111.7
935	S	25	Very low	27.3	Very low	113 Å²	113	124 Å²	124	79%	0.79	73%	0.73	S	S	*	*			trans	-144.9	-172.3	-168.2	-51.5	0	0	0	0	111
936	I	28.6	Very low	26.8	Very low	149 Å²	149	125.5 Å²	125.5	76%	0.764	73%	0.733	S	S	*	*			trans	100.7	107.3	162.9	-56.1	164.6	0	0	0	116.1
937	N	25.3	Very low	26.9	Very low	144 Å²	144	125.6 Å²	125.6	77%	0.77	73%	0.729	S	S	*	*				37.8	151.7	119.5	-52	1.5	0	0	0	120.7
938	S	25.7	Very low	27	Very low	94 Å²	94	127.6 Å²	127.6	66%	0.657	74%	0.735	S	S	*	*			cis	-175	-168.2	-7.1	47	0	0	0	0	110.5
939	N	28.5	Very low	26.9	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	74%	0.74	S	S	*	*			trans	107.4	90	156.7	-54.2	-1.7	0	0	0	118.5
940	D	26.1	Very low	27.2	Very low	148 Å²	148	130.6 Å²	130.6	79%	0.791	75%	0.745	S	S	*	*				51	155.1	108.2	-55.5	-10.2	0	0	0	124.3
941	S	27.5	Very low	27.1	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	75%	0.752	S	S	*	*			trans	82.6	138.4	174	-39.7	0	0	0	0	114.6
942	N	28.6	Very low	27.3	Very low	155 Å²	155	137 Å²	137	83%	0.829	76%	0.756	S	S	*	*			cis	-162.2	170.6	-2.6	-102.7	-19.3	0	0	0	106.3
943	S	25.7	Very low	27.2	Very low	89 Å²	89	140 Å²	140	62%	0.622	76%	0.763	S	S	*	*			cis	-176.3	169.8	-24.7	-170.3	0	0	0	0	107.6
944	N	25.3	Very low	27.2	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	77%	0.77	S	S	*	*			trans	84.4	129.1	154.6	-67	-2.1	0	0	0	122.7
945	N	29.8	Very low	27.1	Very low	134 Å²	134	144 Å²	144	72%	0.717	77%	0.769	S	S	*	*			trans	87	90.7	137.8	-62.2	3.1	0	0	0	122.3
946	N	24.5	Very low	27.4	Very low	130 Å²	130	148.2 Å²	148.2	70%	0.695	77%	0.773	S	S	*	*				67.3	126	106.5	-83.8	51.8	0	0	0	124.6
947	D	27.1	Very low	27.4	Very low	125 Å²	125	146.5 Å²	146.5	67%	0.668	77%	0.774	S	S	*	*			trans	94.1	140.2	132.4	-58.7	-23.1	0	0	0	123.6
948	N	29.7	Very low	27.8	Very low	151 Å²	151	147.3 Å²	147.3	81%	0.807	78%	0.777	S	S	*	*			trans	87.7	88.5	159.7	-56.5	-48.6	0	0	0	121.4
949	D	26.3	Very low	28.5	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	78%	0.779	S	S	*	*			trans	26	112.8	132.2	-84.9	-21.6	0	0	0	121.2
950	I	32.3	Very low	29.3	Very low	164 Å²	164	147.9 Å²	147.9	84%	0.841	77%	0.77	S	S	*	*			trans	-134.1	131.6	136	-63.2	-174.1	0	0	0	109.8
951	K	24.5	Very low	30.6	Very low	189 Å²	189	145.8 Å²	145.8	82%	0.822	75%	0.751	S	S	*	*			trans	-74.4	123.8	-179.3	-63.2	168.1	-179	169.5	0	112.3
952	Q	29.3	Very low	32.4	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	72%	0.723	S	S	*	*			trans	-162.3	126.7	145.5	-116.1	163	99.4	0	0	115.2
953	K	26.6	Very low	33.7	Very low	193 Å²	193	142.6 Å²	142.6	84%	0.839	72%	0.719	S	S	*	*			trans	33.3	89.1	155.5	-62.4	-179.2	178.8	179.7	0	118.8	E955	K953-E955 PolarHBondContact O-N 3.3Å
954	N	26	Very low	35.4	Very low	167 Å²	167	144.1 Å²	144.1	89%	0.893	71%	0.712	S	S	*	*			trans	-85.5	97	157.4	-97.6	-36	0	0	0	110.9
955	E	26.8	Very low	37.3	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	69%	0.685	S	S	*	*			trans	-73.4	123.2	161.8	-70.6	-171	158.1	0	0	109.6	K953 S957	K953-E955 PolarHBondContact O-N 3.3Å; E955-S957 PolarHBondContact O-N 3.13Å; E955-S957 VanDerWaalsContact O-N 3.1Å
956	K	30.9	Very low	38.6	Very low	201 Å²	201	135.4 Å²	135.4	87%	0.874	66%	0.662	S	S	*	*			trans	-71.4	107.5	176.4	-73.4	-177.5	178.6	177	0	109.5	L958	K956-L958 PolarHBondContact O-N 3.27Å; K956-L958 VanDerWaalsContact O-N 3.08Å
957	S	28.4	Very low	40.2	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	65%	0.646	S	S	*	*			trans	-62	108.3	-174.6	47.7	0	0	0	0	112.8	E955 K959	E955-S957 PolarHBondContact O-N 3.13Å; E955-S957 VanDerWaalsContact O-N 3.1Å; S957-K959 PolarHBondContact O-N 2.92Å
958	L	33.8	Very low	42.1	Very low	160 Å²	160	126.1 Å²	126.1	84%	0.838	62%	0.616	S	S	*	*			trans	-62.2	119.9	172	-114.5	70	0	0	0	109.7	K956 P960	K956-L958 PolarHBondContact O-N 3.27Å; K956-L958 VanDerWaalsContact O-N 3.08Å; L958-P960 WeakPolarHBondContact O-CD 2.97Å
959	K	40.1	Very low	43.9	Very low	157 Å²	157	119.1 Å²	119.1	68%	0.683	58%	0.579	S	S	*	*			trans	-66.6	117.5	174.2	-65.7	-177.1	178.9	-176.6	0	108.9	S957 W961	S957-K959 PolarHBondContact O-N 2.92Å; K959-W961 PolarHBondContact O-N 3.36Å; K959-W961 VanDerWaalsContact O-N 3.12Å
960	P	46.5	Very low	45.7	Very low	81 Å²	81	113 Å²	113	53%	0.526	54%	0.544	S	S	.	.			trans	-82.4	96	-170.7	31.6	-34.2	0	0	0	111.5	Y898 L958	Y898-P960 PolarHBondContact OH-O 3.42Å; L958-P960 WeakPolarHBondContact O-CD 2.97Å
961	W	53	Low	47	Very low	104 Å²	104	106.8 Å²	106.8	39%	0.394	51%	0.512	S	S	.	.			trans	-56.8	150.1	172.5	-71.2	62.2	0	0	0	111.4	K959 K963 W965	K959-W961 PolarHBondContact O-N 3.36Å; K959-W961 VanDerWaalsContact O-N 3.12Å; W961-K963 PolarHBondContact O-N 3.06Å; W961-W965 HydrophobicContact CE3-CB 4.14Å; W961-W965 AromaticContact CE3-CD2 3.92Å; W961-W965 HydrophobicContact CE3-CD2 3.92Å; W961-W965 AromaticContact CE3-CE3 3.93Å; W961-W965 HydrophobicContact CE3-CE3 3.93Å; W961-W965 HydrophobicContact CE3-CG 4.02Å; W961-W965 HydrophobicContact CZ3-CD2 4.29Å; W961-W965 AromaticContact CZ3-CE3 3.82Å; W961-W965 HydrophobicContact CZ3-CE3 3.82Å; W961-W965 HydrophobicContact CZ3-CZ3 4.3Å
962	C	64.5	Low	48.8	Very low	21 Å²	21	97.9 Å²	97.9	14%	0.142	47%	0.474	C	S	.	.			trans	-51.3	136.3	174.4	179.3	0	0	0	0	111.9	C905 C910 Y964 W965	C905-C962 HydrophobicContact CB-CB 3.86Å; C910-C962 VanDerWaalsContact SG-SG 3.6Å; C962-Y964 PolarHBondContact O-N 2.83Å; C962-Y964 PolarHBondContact SG-N 2.8Å; C962-W965 HydrophobicContact CB-CB 4.43Å; C962-W965 WeakPolarHBondContact O-CB 3.13Å; C962-W965 VanDerWaalsContact O-CD1 3.24Å; C962-W965 PolarHBondContact O-N 3.11Å
963	K	56.5	Low	50.4	Low	174 Å²	174	89.8 Å²	89.8	76%	0.757	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.5	178.3	-170.9	-177.8	178.5	-170.5	0	113	W961	W961-K963 PolarHBondContact O-N 3.06Å
964	Y	62	Low	52	Low	121 Å²	121	82.1 Å²	82.1	48%	0.475	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	11.2	-176.4	-54.2	-64	0	0	0	114.4	C962 L966 S967 H968	C962-Y964 PolarHBondContact O-N 2.83Å; C962-Y964 PolarHBondContact SG-N 2.8Å; Y964-L966 PolarHBondContact O-N 3.28Å; Y964-S967 WeakPolarHBondContact O-CA 3.47Å; Y964-S967 WeakPolarHBondContact O-CB 3.44Å; Y964-S967 PolarHBondContact O-N 3.46Å; Y964-H968 PolarHBondContact O-CD2 3.38Å; Y964-H968 PolarHBondContact O-N 2.66Å
965	W	64.7	Low	53.7	Low	39 Å²	39	74.6 Å²	74.6	15%	0.148	37%	0.365	C	S	.	.	H	α-helix	trans	-49.8	-36.5	-175.7	78.1	-80.5	0	0	0	114.3	W961 C962 H968 L969	W961-W965 HydrophobicContact CE3-CB 4.14Å; W961-W965 AromaticContact CE3-CD2 3.92Å; W961-W965 HydrophobicContact CE3-CD2 3.92Å; W961-W965 AromaticContact CE3-CE3 3.93Å; W961-W965 HydrophobicContact CE3-CE3 3.93Å; W961-W965 HydrophobicContact CE3-CG 4.02Å; W961-W965 HydrophobicContact CZ3-CD2 4.29Å; W961-W965 AromaticContact CZ3-CE3 3.82Å; W961-W965 HydrophobicContact CZ3-CE3 3.82Å; W961-W965 HydrophobicContact CZ3-CZ3 4.3Å; C962-W965 HydrophobicContact CB-CB 4.43Å; C962-W965 WeakPolarHBondContact O-CB 3.13Å; C962-W965 VanDerWaalsContact O-CD1 3.24Å; C962-W965 PolarHBondContact O-N 3.11Å; W965-H968 PolarHBondContact O-N 3.03Å; W965-L969 HydrophobicContact CZ3-CD2 4.16Å; W965-L969 PolarHBondContact O-N 3.01Å
966	L	57	Low	55.3	Low	45 Å²	45	67.4 Å²	67.4	24%	0.236	33%	0.33	C	S	.	.	H	α-helix	trans	-72.3	-29.2	-179.7	-168.3	68.4	0	0	0	112.5	I852 I856 Y964 L969 W970	I852-L966 HydrophobicContact CG2-CD1 4.02Å; I856-L966 HydrophobicContact CD1-CD1 4.06Å; I856-L966 HydrophobicContact CD1-CD2 4.02Å; I856-L966 HydrophobicContact CG1-CD1 3.7Å; I856-L966 HydrophobicContact CG1-CD2 4.08Å; Y964-L966 PolarHBondContact O-N 3.28Å; L966-L969 HydrophobicContact CD1-CD2 4.26Å; L966-W970 PolarHBondContact O-N 3.4Å
967	S	59.5	Low	56.7	Low	51 Å²	51	60.8 Å²	60.8	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-67.4	-45.8	169.5	-161.4	0	0	0	0	109.8	Y964 L969 W970 D971	Y964-S967 WeakPolarHBondContact O-CA 3.47Å; Y964-S967 WeakPolarHBondContact O-CB 3.44Å; Y964-S967 PolarHBondContact O-N 3.46Å; S967-L969 VanDerWaalsContact C-N 3.29Å; S967-L969 PolarHBondContact O-N 2.92Å; S967-W970 CarbonylContact O-C 3.59Å; S967-W970 WeakPolarHBondContact O-CA 3.34Å; S967-W970 WeakPolarHBondContact O-CB 3.38Å; S967-W970 PolarHBondContact O-N 3.33Å; S967-D971 WeakPolarHBondContact O-CB 3.23Å; S967-D971 VanDerWaalsContact O-CG 3.24Å; S967-D971 PolarHBondContact O-N 2.99Å; S967-D971 PolarHBondContact OG-OD2 3.3Å
968	H	67.1	Low	58.3	Low	10 Å²	10	57 Å²	57	5%	0.046	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-37.9	-178.8	-52.7	172	0	0	0	111.9	C905 W907 C910 Y964 W965 I972	C905-H968 VanDerWaalsContact SG-CE1 3.57Å; W907-H968 AromaticContact CD1-CE1 3.92Å; W907-H968 AromaticContact CD1-ND1 3.57Å; W907-H968 HydrophobicContact CD2-CB 3.93Å; W907-H968 AromaticContact CD2-CD2 3.42Å; W907-H968 VanDerWaalsContact CD2-CD2 3.42Å; W907-H968 AromaticContact CD2-CE1 3.74Å; W907-H968 AromaticContact CD2-CG 3.38Å; W907-H968 AromaticContact CD2-ND1 3.57Å; W907-H968 AromaticContact CD2-NE2 3.68Å; W907-H968 AromaticContact CE2-CG 3.58Å; W907-H968 AromaticContact CE2-ND1 3.89Å; W907-H968 HydrophobicContact CE3-CB 4.22Å; W907-H968 AromaticContact CE3-CD2 3.2Å; W907-H968 AromaticContact CE3-CG 3.64Å; W907-H968 AromaticContact CE3-NE2 3.61Å; W907-H968 AromaticContact CG-CD2 3.95Å; W907-H968 AromaticContact CG-CE1 3.4Å; W907-H968 VanDerWaalsContact CG-CE1 3.4Å; W907-H968 AromaticContact CG-CG 3.8Å; W907-H968 AromaticContact CG-ND1 3.44Å; W907-H968 AromaticContact CG-NE2 3.74Å; W907-H968 HydrophobicContact CH2-CB 4Å; W907-H968 HydrophobicContact CZ2-CB 3.67Å; W907-H968 HydrophobicContact CZ3-CB 4.23Å; W907-H968 AromaticContact CZ3-CD2 3.7Å; W907-H968 AromaticContact NE1-CG 3.93Å; W907-H968 AromaticContact NE1-ND1 3.81Å; C910-H968 PolarHBondContact SG-CE1 2.78Å; C910-H968 PolarHBondContact SG-NE2 3.3Å; C910-H968 VanDerWaalsContact SG-NE2 3.39Å; Y964-H968 PolarHBondContact O-CD2 3.38Å; Y964-H968 PolarHBondContact O-N 2.66Å; W965-H968 PolarHBondContact O-N 3.03Å; H968-I972 WeakPolarHBondContact O-CB 3.37Å; H968-I972 VanDerWaalsContact O-CG1 3.28Å; H968-I972 WeakPolarHBondContact O-CG1 3.4Å; H968-I972 PolarHBondContact O-N 3.41Å
969	L	67.3	Low	59.9	Low	3 Å²	3	50 Å²	50	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-47.1	170.7	174.3	61	0	0	0	111.6	F851 I852 C855 I890 I894 W965 L966 S967 C973	F851-L969 HydrophobicContact CE1-CD1 4.31Å; I852-L969 HydrophobicContact CG1-CD2 4.15Å; I852-L969 HydrophobicContact CG1-CG 4.31Å; I852-L969 HydrophobicContact CG2-CD2 4.4Å; C855-L969 HydrophobicContact CB-CD2 4.32Å; I890-L969 HydrophobicContact CG2-CD1 4.12Å; I894-L969 HydrophobicContact CD1-CB 3.99Å; I894-L969 HydrophobicContact CD1-CD1 3.42Å; I894-L969 VanDerWaalsContact CD1-CD1 3.42Å; I894-L969 HydrophobicContact CD1-CG 4.29Å; W965-L969 HydrophobicContact CZ3-CD2 4.16Å; W965-L969 PolarHBondContact O-N 3.01Å; L966-L969 HydrophobicContact CD1-CD2 4.26Å; S967-L969 VanDerWaalsContact C-N 3.29Å; S967-L969 PolarHBondContact O-N 2.92Å; L969-C973 VanDerWaalsContact O-CB 3.25Å; L969-C973 WeakPolarHBondContact O-CB 3.48Å; L969-C973 PolarHBondContact O-N 3.05Å; L969-C973 PolarHBondContact O-SG 3.16Å
970	W	63.1	Low	61.3	Low	26 Å²	26	46.4 Å²	46.4	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-48.9	175.3	-94.5	110.1	0	0	0	112.6	I848 I849 I852 L966 S967 C973 L974	I848-W970 HydrophobicContact CG2-CZ3 4.23Å; I849-W970 HydrophobicContact CG1-CH2 3.84Å; I849-W970 HydrophobicContact CG1-CZ2 4.34Å; I852-W970 HydrophobicContact CD1-CD2 3.59Å; I852-W970 HydrophobicContact CD1-CE3 3.88Å; I852-W970 HydrophobicContact CD1-CG 4.06Å; I852-W970 HydrophobicContact CD1-CH2 4.18Å; I852-W970 HydrophobicContact CD1-CZ2 3.88Å; I852-W970 HydrophobicContact CD1-CZ3 4.18Å; L966-W970 PolarHBondContact O-N 3.4Å; S967-W970 CarbonylContact O-C 3.59Å; S967-W970 WeakPolarHBondContact O-CA 3.34Å; S967-W970 WeakPolarHBondContact O-CB 3.38Å; S967-W970 PolarHBondContact O-N 3.33Å; W970-C973 WeakPolarHBondContact O-CB 3.49Å; W970-C973 PolarHBondContact O-N 3Å; W970-L974 HydrophobicContact CE3-CD1 3.64Å; W970-L974 HydrophobicContact CZ3-CD1 4Å; W970-L974 WeakPolarHBondContact O-CD1 3.25Å; W970-L974 PolarHBondContact O-N 3.5Å
971	D	60.3	Low	62.3	Low	32 Å²	32	45.3 Å²	45.3	17%	0.171	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-43.3	-177.5	-66.9	-43.5	0	0	0	111.4	W907 S967 S975	W907-D971 HydrophobicContact CH2-CB 3.65Å; W907-D971 HydrophobicContact CZ3-CB 3.99Å; S967-D971 WeakPolarHBondContact O-CB 3.23Å; S967-D971 VanDerWaalsContact O-CG 3.24Å; S967-D971 PolarHBondContact O-N 2.99Å; S967-D971 PolarHBondContact OG-OD2 3.3Å; D971-S975 PolarHBondContact O-N 2.89Å
972	I	62.6	Low	63.4	Low	3 Å²	3	41.4 Å²	41.4	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-44.5	174.4	-67.4	166	0	0	0	110.8	I890 T893 I894 W907 H968 L974 S975 Y976 F1026	I890-I972 HydrophobicContact CB-CG2 4.24Å; I890-I972 HydrophobicContact CG1-CG2 3.99Å; I890-I972 HydrophobicContact CG2-CG2 3.79Å; T893-I972 HydrophobicContact CG2-CD1 4.12Å; I894-I972 HydrophobicContact CD1-CD1 4.38Å; I894-I972 HydrophobicContact CG1-CD1 3.54Å; W907-I972 HydrophobicContact CH2-CG1 4.27Å; W907-I972 HydrophobicContact CZ2-CD1 3.79Å; W907-I972 HydrophobicContact CZ2-CG1 3.76Å; H968-I972 WeakPolarHBondContact O-CB 3.37Å; H968-I972 VanDerWaalsContact O-CG1 3.28Å; H968-I972 WeakPolarHBondContact O-CG1 3.4Å; H968-I972 PolarHBondContact O-N 3.41Å; I972-L974 PolarHBondContact O-N 3.46Å; I972-S975 PolarHBondContact O-N 3.42Å; I972-S975 PolarHBondContact O-OG 3.21Å; I972-Y976 PolarHBondContact O-N 3.32Å; I972-F1026 HydrophobicContact CG1-CD1 4.47Å; I972-F1026 HydrophobicContact CG2-CE1 4.24Å
973	C	62.2	Low	63.2	Low	4 Å²	4	47.5 Å²	47.5	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-51.6	175.1	-81.1	0	0	0	0	111.2	I848 L969 W970 S975 Y976 Y977	I848-C973 HydrophobicContact CG2-CB 4.45Å; L969-C973 VanDerWaalsContact O-CB 3.25Å; L969-C973 WeakPolarHBondContact O-CB 3.48Å; L969-C973 PolarHBondContact O-N 3.05Å; L969-C973 PolarHBondContact O-SG 3.16Å; W970-C973 WeakPolarHBondContact O-CB 3.49Å; W970-C973 PolarHBondContact O-N 3Å; C973-S975 VanDerWaalsContact C-N 3.31Å; C973-S975 PolarHBondContact O-N 3.24Å; C973-Y976 PolarHBondContact O-N 2.66Å; C973-Y976 VanDerWaalsContact O-N 3.16Å; C973-Y977 VanDerWaalsContact O-CD2 3.28Å; C973-Y977 WeakPolarHBondContact O-CD2 3.4Å; C973-Y977 PolarHBondContact O-N 3.19Å
974	L	59.1	Low	63.3	Low	32 Å²	32	44 Å²	44	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-52.7	-49.8	176.5	-100.3	61	0	0	0	111.1	W970 I972 Y976 Y977 T978 L1044	W970-L974 HydrophobicContact CE3-CD1 3.64Å; W970-L974 HydrophobicContact CZ3-CD1 4Å; W970-L974 WeakPolarHBondContact O-CD1 3.25Å; W970-L974 PolarHBondContact O-N 3.5Å; I972-L974 PolarHBondContact O-N 3.46Å; L974-Y976 PolarHBondContact O-N 3.36Å; L974-Y977 PolarHBondContact O-N 2.78Å; L974-T978 PolarHBondContact O-N 3.13Å; L974-T978 PolarHBondContact O-OG1 2.83Å; L974-L1044 HydrophobicContact CD1-CD2 4.35Å; L974-L1044 HydrophobicContact CD2-CD1 3.94Å; L974-L1044 HydrophobicContact CD2-CD2 4.37Å; L974-L1044 HydrophobicContact CG-CD1 4.37Å
975	S	61.9	Low	62.7	Low	9 Å²	9	45.1 Å²	45.1	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-46.7	179.1	77.2	0	0	0	0	112	D971 I972 C973 Y977 T978 Y979	D971-S975 PolarHBondContact O-N 2.89Å; I972-S975 PolarHBondContact O-N 3.42Å; I972-S975 PolarHBondContact O-OG 3.21Å; C973-S975 VanDerWaalsContact C-N 3.31Å; C973-S975 PolarHBondContact O-N 3.24Å; S975-Y977 PolarHBondContact O-N 2.88Å; S975-Y977 VanDerWaalsContact O-N 3.11Å; S975-T978 PolarHBondContact O-N 3.17Å; S975-T978 VanDerWaalsContact O-N 3.15Å; S975-T978 PolarHBondContact O-OG1 3.33Å; S975-Y979 WeakPolarHBondContact O-CD2 3.28Å
976	Y	60.5	Low	62.1	Low	30 Å²	30	50.2 Å²	50.2	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-18.5	-176.2	-141.8	-69.4	0	0	0	113.6	K886 K889 I890 I972 C973 L974	K886-Y976 HydrophobicContact CB-CD1 4.2Å; K886-Y976 HydrophobicContact CB-CE1 4.16Å; K886-Y976 HydrophobicContact CD-CD1 3.73Å; K886-Y976 HydrophobicContact CD-CE1 3.66Å; K886-Y976 HydrophobicContact CG-CD1 3.93Å; K886-Y976 HydrophobicContact CG-CE1 3.55Å; K889-Y976 HydrophobicContact CB-CE2 4.46Å; K889-Y976 HydrophobicContact CD-CE2 4.3Å; K889-Y976 WeakPolarHBondContact CD-OH 3.47Å; K889-Y976 PolarHBondContact NZ-OH 3.46Å; I890-Y976 HydrophobicContact CD1-CD2 4.41Å; I890-Y976 HydrophobicContact CD1-CG 4.19Å; I890-Y976 HydrophobicContact CG1-CD2 4.03Å; I890-Y976 HydrophobicContact CG1-CG 4.32Å; I972-Y976 PolarHBondContact O-N 3.32Å; C973-Y976 PolarHBondContact O-N 2.66Å; C973-Y976 VanDerWaalsContact O-N 3.16Å; L974-Y976 PolarHBondContact O-N 3.36Å
977	Y	60	Low	62.3	Low	62 Å²	62	48.5 Å²	48.5	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-95.1	-14.2	175.6	-75.4	-79.9	0	0	0	114.7	Y844 I848 L883 C973 L974 S975	Y844-Y977 AromaticContact CD1-CE1 3.78Å; Y844-Y977 HydrophobicContact CD1-CE1 3.78Å; Y844-Y977 HydrophobicContact CE1-CE1 4.32Å; I848-Y977 HydrophobicContact CD1-CD1 4.42Å; I848-Y977 HydrophobicContact CD1-CD2 3.48Å; I848-Y977 VanDerWaalsContact CD1-CD2 3.48Å; I848-Y977 HydrophobicContact CD1-CE1 4.32Å; I848-Y977 HydrophobicContact CD1-CE2 3.37Å; I848-Y977 HydrophobicContact CD1-CG 4.04Å; I848-Y977 HydrophobicContact CG1-CD2 4.25Å; I848-Y977 HydrophobicContact CG1-CE2 3.64Å; L883-Y977 WeakPolarHBondContact CD1-OH 3.46Å; C973-Y977 VanDerWaalsContact O-CD2 3.28Å; C973-Y977 WeakPolarHBondContact O-CD2 3.4Å; C973-Y977 PolarHBondContact O-N 3.19Å; L974-Y977 PolarHBondContact O-N 2.78Å; S975-Y977 PolarHBondContact O-N 2.88Å; S975-Y977 VanDerWaalsContact O-N 3.11Å
978	T	62.1	Low	62.2	Low	33 Å²	33	50.1 Å²	50.1	20%	0.202	26%	0.263	C	S	.	.	S	Bend	trans	-94.7	8.2	179	56.5	0	0	0	0	114.4	L974 S975 Y1010 L1033	L974-T978 PolarHBondContact O-N 3.13Å; L974-T978 PolarHBondContact O-OG1 2.83Å; S975-T978 PolarHBondContact O-N 3.17Å; S975-T978 VanDerWaalsContact O-N 3.15Å; S975-T978 PolarHBondContact O-OG1 3.33Å; T978-Y1010 WeakPolarHBondContact O-CB 3.45Å; T978-Y1010 PolarHBondContact O-N 3.3Å; T978-L1033 HydrophobicContact CG2-CD1 3.75Å; T978-L1033 HydrophobicContact CG2-CD2 3.94Å
979	Y	69.1	Low	61.5	Low	14 Å²	14	54.4 Å²	54.4	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.8	174.4	-60.9	-86.8	0	0	0	112.2	S975 I1007 H1008 C1009 F1017 L1029	S975-Y979 WeakPolarHBondContact O-CD2 3.28Å; Y979-I1007 HydrophobicContact CD1-CD1 4.46Å; Y979-I1007 HydrophobicContact CG-CD1 4.12Å; Y979-H1008 CarbonylContact C-O 3.56Å; Y979-H1008 WeakPolarHBondContact CA-O 3.26Å; Y979-H1008 WeakPolarHBondContact CB-O 3.16Å; Y979-H1008 WeakPolarHBondContact CD1-O 3.34Å; Y979-C1009 HydrophobicContact CD1-CB 4.47Å; Y979-C1009 HydrophobicContact CE1-CB 4.25Å; Y979-F1017 HydrophobicContact CD1-CD1 4.49Å; Y979-F1017 HydrophobicContact CD1-CE1 4.44Å; Y979-F1017 AromaticContact CE1-CD1 3.83Å; Y979-F1017 HydrophobicContact CE1-CD1 3.83Å; Y979-F1017 AromaticContact CE1-CE1 3.72Å; Y979-F1017 HydrophobicContact CE1-CE1 3.72Å; Y979-L1029 HydrophobicContact CD1-CD2 4Å; Y979-L1029 HydrophobicContact CD2-CD2 3.94Å; Y979-L1029 HydrophobicContact CE1-CD2 3.72Å; Y979-L1029 HydrophobicContact CE2-CB 3.93Å; Y979-L1029 HydrophobicContact CE2-CD2 3.69Å; Y979-L1029 HydrophobicContact CE2-CG 4.36Å; Y979-L1029 HydrophobicContact CG-CD2 4.15Å; Y979-L1029 PolarHBondContact OH-O 3.1Å
980	I	69.1	Low	60.6	Low	81 Å²	81	60.1 Å²	60.1	42%	0.415	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.7	-174.7	-55.8	175.2	0	0	0	109	I1007 H1008 Y1010	I980-I1007 CarbonylContact O-C 3.58Å; I980-I1007 VanDerWaalsContact O-CA 3.3Å; I980-I1007 WeakPolarHBondContact O-CA 3.48Å; I980-H1008 PolarHBondContact N-O 3.19Å; I980-H1008 PolarHBondContact O-N 3.14Å; I980-Y1010 HydrophobicContact CD1-CD2 3.98Å; I980-Y1010 HydrophobicContact CG1-CD2 4.3Å
981	E	67.7	Low	59.2	Low	58 Å²	58	63 Å²	63	27%	0.271	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.8	177.2	-63.2	176.9	170.3	0	0	110.5	N983 I1007 I1021	E981-N983 PolarHBondContact O-N 3.29Å; E981-N983 VanDerWaalsContact O-N 3.1Å; E981-I1007 HydrophobicContact CG-CG2 3.88Å; E981-I1021 HydrophobicContact CB-CD1 4.38Å; E981-I1021 HydrophobicContact CG-CD1 3.95Å
982	C	75.4	Confident	58	Low	22 Å²	22	66 Å²	66	15%	0.149	35%	0.352	C	S	.	.			trans	-72.6	104.1	-172.8	-176.1	0	0	0	0	113.1	H1006 H1008	C982-H1006 VanDerWaalsContact CB-CD2 3.45Å; C982-H1006 WeakPolarHBondContact CB-CD2 3.38Å; C982-H1006 WeakPolarHBondContact CB-NE2 3.45Å; C982-H1006 VanDerWaalsContact CB-O 3.25Å; C982-H1006 WeakPolarHBondContact CB-O 3.45Å; C982-H1006 PolarHBondContact N-O 3.01Å; C982-H1006 PolarHBondContact SG-NE2 3.22Å; C982-H1008 WeakPolarHBondContact CB-NE2 3.44Å; C982-H1008 PolarHBondContact SG-NE2 2.99Å
983	N	59.7	Low	56.6	Low	148 Å²	148	72 Å²	72	79%	0.791	39%	0.389	S	S	*	.			trans	-104.7	18.4	179	-65.6	-22.5	0	0	0	113.5	E981	E981-N983 PolarHBondContact O-N 3.29Å; E981-N983 VanDerWaalsContact O-N 3.1Å
984	Q	58.5	Low	55	Low	102 Å²	102	77.5 Å²	77.5	48%	0.477	42%	0.423	S	S	.	.			trans	-107.4	151.5	-173.8	-76.9	-74.5	-12.3	0	0	113.1	K990 W1012	Q984-K990 PolarHBondContact O-NZ 3.44Å; Q984-W1012 HydrophobicContact CB-CH2 4.36Å; Q984-W1012 HydrophobicContact CG-CH2 3.94Å; Q984-W1012 HydrophobicContact CG-CZ3 4.18Å
985	L	50.3	Low	53.7	Low	143 Å²	143	82.3 Å²	82.3	75%	0.749	45%	0.454	S	S	*	.	S	Bend	trans	-80.4	-37.2	172.3	-80.7	163.4	0	0	0	111.6	C987	L985-C987 VanDerWaalsContact C-N 3.28Å; L985-C987 PolarHBondContact O-N 3.35Å
986	N	51.8	Low	52.4	Low	147 Å²	147	88.3 Å²	88.3	79%	0.786	49%	0.49	S	S	*	.			trans	-89.3	31.2	-170.9	-61.3	1.3	0	0	0	113.7
987	C	61.2	Low	50.8	Low	8 Å²	8	94.6 Å²	94.6	5%	0.054	53%	0.526	C	S	.	.			trans	-86.9	127.2	173.7	-177.1	0	0	0	0	110.9	L985 M989 K990 H1006 H1008	L985-C987 VanDerWaalsContact C-N 3.28Å; L985-C987 PolarHBondContact O-N 3.35Å; C987-M989 PolarHBondContact O-N 2.98Å; C987-K990 PolarHBondContact O-N 3.41Å; C987-H1006 PolarHBondContact SG-NE2 3.24Å; C987-H1008 VanDerWaalsContact SG-CE1 3.57Å
988	S	56.3	Low	49.5	Very low	86 Å²	86	98.7 Å²	98.7	60%	0.601	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-56.6	-16.5	-175.9	-39.8	0	0	0	0	115.3	S991	S988-S991 PolarHBondContact O-OG 3.1Å
989	M	52.9	Low	48	Very low	99 Å²	99	103.7 Å²	103.7	49%	0.488	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-88.4	-0.9	179.7	-66.8	-72	94.2	0	0	114.5	C987 I1018	C987-M989 PolarHBondContact O-N 2.98Å; M989-I1018 HydrophobicContact CG-CD1 3.75Å; M989-I1018 HydrophobicContact CG-CG2 4.43Å
990	K	47.8	Very low	46.2	Very low	124 Å²	124	109.8 Å²	109.8	54%	0.539	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-84.9	-13.5	167.5	-82.4	178.3	176.7	164.6	0	113.6	Q984 C987	Q984-K990 PolarHBondContact O-NZ 3.44Å; C987-K990 PolarHBondContact O-N 3.41Å
991	S	35.3	Very low	44.2	Very low	87 Å²	87	114 Å²	114	61%	0.608	65%	0.645	S	S	*	*	S	Bend	trans	-98	4.1	-171.3	29.9	0	0	0	0	115.4	S988	S988-S991 PolarHBondContact O-OG 3.1Å
992	T	34.1	Very low	42.6	Very low	94 Å²	94	116.1 Å²	116.1	58%	0.577	66%	0.658	S	S	*	*	S	Bend	trans	-126.1	38.7	-171.1	54.1	0	0	0	0	114.4
993	T	33.4	Very low	40.9	Very low	128 Å²	128	123.1 Å²	123.1	79%	0.785	69%	0.694	S	S	*	*			trans	-140	86.4	163.7	53.3	0	0	0	0	110.5
994	T	29.5	Very low	40.4	Very low	121 Å²	121	121.6 Å²	121.6	74%	0.742	69%	0.686	S	S	*	*			trans	-123.2	129.2	172.5	-37	0	0	0	0	108
995	T	31.4	Very low	40.4	Very low	132 Å²	132	118.2 Å²	118.2	81%	0.81	68%	0.678	S	S	*	*			trans	67	137.5	-161.4	80.2	0	0	0	0	112.9
996	T	34	Very low	41.5	Very low	135 Å²	135	112.4 Å²	112.4	83%	0.828	65%	0.648	S	S	*	*			cis	-122.7	172.9	1.1	50.4	0	0	0	0	112.3
997	N	28.1	Very low	42.6	Very low	163 Å²	163	106.1 Å²	106.1	87%	0.872	61%	0.614	S	S	*	*			trans	-81.6	128.9	-170.3	-53.9	-33.5	0	0	0	114
998	T	32.1	Very low	43.4	Very low	148 Å²	148	106 Å²	106	91%	0.908	61%	0.612	S	S	*	*			trans	-154.8	158.1	131.8	21.4	0	0	0	0	109.9
999	T	29.9	Very low	44.5	Very low	137 Å²	137	102 Å²	102	84%	0.84	58%	0.584	S	S	*	*			trans	-81.5	118.7	-173.7	48.4	0	0	0	0	112.7
1000	D	31.2	Very low	45.4	Very low	143 Å²	143	103.8 Å²	103.8	77%	0.765	59%	0.587	S	S	*	*			trans	-157.3	122.4	148.6	-127.4	-20.4	0	0	0	112.6	N1002	D1000-N1002 PolarHBondContact O-N 3.28Å
1001	N	27.7	Very low	46.4	Very low	170 Å²	170	101.9 Å²	101.9	91%	0.909	58%	0.577	S	S	*	*			trans	-81.9	76.5	-175.8	-88.4	-28.8	0	0	0	111.6
1002	N	33.5	Very low	47.7	Very low	102 Å²	102	101.9 Å²	101.9	55%	0.545	56%	0.563	S	S	.	*			trans	-128.3	103	173.7	-85.1	-70.1	0	0	0	111.4	D1000 N1004	D1000-N1002 PolarHBondContact O-N 3.28Å; N1002-N1004 PolarHBondContact O-N 3.13Å
1003	N	40.8	Very low	49	Very low	169 Å²	169	101.9 Å²	101.9	90%	0.904	57%	0.565	S	S	*	*			trans	-53.1	111.9	172.9	-84.4	-35.6	0	0	0	110.5	G1005	N1003-G1005 PolarHBondContact O-N 2.88Å
1004	N	48.3	Very low	50.1	Low	115 Å²	115	105.4 Å²	105.4	62%	0.615	57%	0.569	S	S	*	*			trans	-73.8	75.6	175.4	-76.1	-18.7	0	0	0	110.4	N1002 K1022	N1002-N1004 PolarHBondContact O-N 3.13Å; N1004-K1022 WeakPolarHBondContact OD1-CE 3.26Å; N1004-K1022 PolarHBondContact OD1-NZ 3.06Å
1005	G	57.9	Low	52.2	Low	31 Å²	31	100.5 Å²	100.5	32%	0.32	54%	0.54	S	S	.	.			trans	-58.9	136.8	170.3	0	0	0	0	0	110.9	N1003 I1021	N1003-G1005 PolarHBondContact O-N 2.88Å; G1005-I1021 VanDerWaalsContact O-CB 3.25Å; G1005-I1021 WeakPolarHBondContact O-CB 3.19Å; G1005-I1021 WeakPolarHBondContact O-CG1 3.48Å; G1005-I1021 PolarHBondContact O-N 2.86Å
1006	H	73.9	Confident	54.1	Low	22 Å²	22	100.6 Å²	100.6	10%	0.102	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.5	172.4	49.4	-87.5	0	0	0	109	C982 C987 H1008 I1018 H1019	C982-H1006 VanDerWaalsContact CB-CD2 3.45Å; C982-H1006 WeakPolarHBondContact CB-CD2 3.38Å; C982-H1006 WeakPolarHBondContact CB-NE2 3.45Å; C982-H1006 VanDerWaalsContact CB-O 3.25Å; C982-H1006 WeakPolarHBondContact CB-O 3.45Å; C982-H1006 PolarHBondContact N-O 3.01Å; C982-H1006 PolarHBondContact SG-NE2 3.22Å; C987-H1006 PolarHBondContact SG-NE2 3.24Å; H1006-H1008 AromaticContact CD2-NE2 3.55Å; H1006-H1008 AromaticContact NE2-NE2 3.67Å; H1006-I1018 HydrophobicContact CB-CG2 3.78Å; H1006-H1019 CarbonylContact C-O 3.6Å; H1006-H1019 VanDerWaalsContact CA-O 3.26Å; H1006-H1019 WeakPolarHBondContact CA-O 3.47Å; H1006-H1019 WeakPolarHBondContact CB-O 3.44Å
1007	I	75.5	Confident	56.2	Low	14 Å²	14	96.3 Å²	96.3	7%	0.072	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.1	176.5	44.3	166.8	0	0	0	110.4	Y979 I980 E981 I1018 H1019 I1021 L1029	Y979-I1007 HydrophobicContact CD1-CD1 4.46Å; Y979-I1007 HydrophobicContact CG-CD1 4.12Å; I980-I1007 CarbonylContact O-C 3.58Å; I980-I1007 VanDerWaalsContact O-CA 3.3Å; I980-I1007 WeakPolarHBondContact O-CA 3.48Å; E981-I1007 HydrophobicContact CG-CG2 3.88Å; I1007-I1018 CarbonylContact O-C 3.55Å; I1007-I1018 WeakPolarHBondContact O-CA 3.29Å; I1007-H1019 HydrophobicContact CD1-CB 4.32Å; I1007-H1019 HydrophobicContact CG1-CB 4.04Å; I1007-H1019 VanDerWaalsContact CG1-O 3.31Å; I1007-H1019 WeakPolarHBondContact CG1-O 3.31Å; I1007-H1019 PolarHBondContact N-O 2.83Å; I1007-H1019 PolarHBondContact O-N 2.88Å; I1007-I1021 HydrophobicContact CG2-CD1 4Å; I1007-I1021 HydrophobicContact CG2-CG1 3.87Å; I1007-L1029 HydrophobicContact CD1-CD1 4.36Å; I1007-L1029 HydrophobicContact CD1-CD2 3.83Å
1008	H	77.3	Confident	58.4	Low	5 Å²	5	91 Å²	91	2%	0.023	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	151.9	171	-67.8	-92.6	0	0	0	110.5	Y979 I980 C982 C987 H1006 W1012 F1017	Y979-H1008 CarbonylContact C-O 3.56Å; Y979-H1008 WeakPolarHBondContact CA-O 3.26Å; Y979-H1008 WeakPolarHBondContact CB-O 3.16Å; Y979-H1008 WeakPolarHBondContact CD1-O 3.34Å; I980-H1008 PolarHBondContact N-O 3.19Å; I980-H1008 PolarHBondContact O-N 3.14Å; C982-H1008 WeakPolarHBondContact CB-NE2 3.44Å; C982-H1008 PolarHBondContact SG-NE2 2.99Å; C987-H1008 VanDerWaalsContact SG-CE1 3.57Å; H1006-H1008 AromaticContact CD2-NE2 3.55Å; H1006-H1008 AromaticContact NE2-NE2 3.67Å; H1008-W1012 HydrophobicContact CB-CB 3.72Å; H1008-W1012 HydrophobicContact CB-CG 3.9Å; H1008-W1012 AromaticContact CE1-CD1 3.84Å; H1008-W1012 AromaticContact CE1-CE2 3.82Å; H1008-W1012 AromaticContact CE1-NE1 3.56Å; H1008-W1012 AromaticContact CG-CD1 3.97Å; H1008-W1012 AromaticContact CG-CG 3.81Å; H1008-W1012 AromaticContact ND1-CD1 3.15Å; H1008-W1012 AromaticContact ND1-CD2 3.81Å; H1008-W1012 AromaticContact ND1-CE2 3.79Å; H1008-W1012 AromaticContact ND1-CG 3.44Å; H1008-W1012 AromaticContact ND1-NE1 3.37Å; H1008-W1012 PolarHBondContact ND1-NE1 3.12Å; H1008-F1017 WeakPolarHBondContact CA-O 3.43Å
1009	C	79.9	Confident	60.4	Low	3 Å²	3	85.5 Å²	85.5	2%	0.02	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	144	163.1	179.2	0	0	0	0	110.7	Y979 Y1011 W1012 C1015 F1017 H1036	Y979-C1009 HydrophobicContact CD1-CB 4.47Å; Y979-C1009 HydrophobicContact CE1-CB 4.25Å; C1009-Y1011 PolarHBondContact O-N 2.77Å; C1009-W1012 VanDerWaalsContact O-CB 3.29Å; C1009-W1012 WeakPolarHBondContact O-CB 3.4Å; C1009-W1012 PolarHBondContact O-N 2.75Å; C1009-C1015 HydrophobicContact CB-CB 4.15Å; C1009-F1017 HydrophobicContact CB-CB 4.28Å; C1009-F1017 PolarHBondContact N-O 3.2Å; C1009-H1036 PolarHBondContact SG-NE2 3.35Å
1010	Y	72.1	Confident	62.4	Low	136 Å²	136	80.8 Å²	80.8	53%	0.533	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-27.8	175.4	-178	-95.5	0	0	0	114	T978 I980 W1012	T978-Y1010 WeakPolarHBondContact O-CB 3.45Å; T978-Y1010 PolarHBondContact O-N 3.3Å; I980-Y1010 HydrophobicContact CD1-CD2 3.98Å; I980-Y1010 HydrophobicContact CG1-CD2 4.3Å; Y1010-W1012 VanDerWaalsContact C-N 3.34Å; Y1010-W1012 PolarHBondContact O-N 3.29Å
1011	Y	67.7	Low	63.8	Low	85 Å²	85	76.3 Å²	76.3	33%	0.333	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.2	177.5	-63.9	-68.8	0	0	0	115.1	C1009 K1014 C1015 H1036 L1040	C1009-Y1011 PolarHBondContact O-N 2.77Å; Y1011-K1014 WeakPolarHBondContact O-CA 3.28Å; Y1011-K1014 VanDerWaalsContact O-CB 3.27Å; Y1011-K1014 WeakPolarHBondContact O-CB 3.19Å; Y1011-K1014 PolarHBondContact O-N 3.21Å; Y1011-C1015 PolarHBondContact O-N 2.99Å; Y1011-H1036 HydrophobicContact CD2-CB 4.01Å; Y1011-H1036 AromaticContact CD2-CE1 3.99Å; Y1011-H1036 AromaticContact CD2-CG 3.58Å; Y1011-H1036 AromaticContact CD2-ND1 3.46Å; Y1011-H1036 WeakPolarHBondContact CD2-ND1 3.43Å; Y1011-H1036 HydrophobicContact CE2-CB 3.68Å; Y1011-H1036 AromaticContact CE2-CG 3.8Å; Y1011-L1040 VanDerWaalsContact OH-CD1 3.29Å; Y1011-L1040 WeakPolarHBondContact OH-CD1 3.42Å
1012	W	63.9	Low	64.8	Low	87 Å²	87	74.3 Å²	74.3	33%	0.33	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	137.2	173.9	-176	85.2	0	0	0	111.2	Q984 H1008 C1009 Y1010 C1015	Q984-W1012 HydrophobicContact CB-CH2 4.36Å; Q984-W1012 HydrophobicContact CG-CH2 3.94Å; Q984-W1012 HydrophobicContact CG-CZ3 4.18Å; H1008-W1012 HydrophobicContact CB-CB 3.72Å; H1008-W1012 HydrophobicContact CB-CG 3.9Å; H1008-W1012 AromaticContact CE1-CD1 3.84Å; H1008-W1012 AromaticContact CE1-CE2 3.82Å; H1008-W1012 AromaticContact CE1-NE1 3.56Å; H1008-W1012 AromaticContact CG-CD1 3.97Å; H1008-W1012 AromaticContact CG-CG 3.81Å; H1008-W1012 AromaticContact ND1-CD1 3.15Å; H1008-W1012 AromaticContact ND1-CD2 3.81Å; H1008-W1012 AromaticContact ND1-CE2 3.79Å; H1008-W1012 AromaticContact ND1-CG 3.44Å; H1008-W1012 AromaticContact ND1-NE1 3.37Å; H1008-W1012 PolarHBondContact ND1-NE1 3.12Å; C1009-W1012 VanDerWaalsContact O-CB 3.29Å; C1009-W1012 WeakPolarHBondContact O-CB 3.4Å; C1009-W1012 PolarHBondContact O-N 2.75Å; Y1010-W1012 VanDerWaalsContact C-N 3.34Å; Y1010-W1012 PolarHBondContact O-N 3.29Å; W1012-C1015 VanDerWaalsContact CD1-O 3.31Å
1013	P	61.5	Low	66	Low	93 Å²	93	74.6 Å²	74.6	60%	0.604	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.1	3.7	9.8	35.3	-37.7	0	0	0	116	C1015	P1013-C1015 PolarHBondContact O-N 2.94Å
1014	K	56.4	Low	66.7	Low	203 Å²	203	68.9 Å²	68.9	88%	0.883	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.3	176.2	-55.3	-176.5	179.8	-178	0	112.8	Y1011	Y1011-K1014 WeakPolarHBondContact O-CA 3.28Å; Y1011-K1014 VanDerWaalsContact O-CB 3.27Å; Y1011-K1014 WeakPolarHBondContact O-CB 3.19Å; Y1011-K1014 PolarHBondContact O-N 3.21Å
1015	C	73.5	Confident	67.3	Low	18 Å²	18	67 Å²	67	12%	0.122	33%	0.332	C	S	.	.			trans	-120.3	124.5	169.8	-171.7	0	0	0	0	111	C1009 Y1011 W1012 P1013 F1017 H1032 H1036	C1009-C1015 HydrophobicContact CB-CB 4.15Å; Y1011-C1015 PolarHBondContact O-N 2.99Å; W1012-C1015 VanDerWaalsContact CD1-O 3.31Å; P1013-C1015 PolarHBondContact O-N 2.94Å; C1015-F1017 VanDerWaalsContact C-N 3.29Å; C1015-F1017 PolarHBondContact O-N 2.88Å; C1015-H1032 PolarHBondContact SG-CE1 3.49Å; C1015-H1032 PolarHBondContact SG-NE2 3.35Å; C1015-H1032 VanDerWaalsContact SG-NE2 3.43Å; C1015-H1036 PolarHBondContact SG-CE1 3.42Å; C1015-H1036 PolarHBondContact SG-NE2 3.23Å
1016	N	71.5	Confident	67.1	Low	133 Å²	133	68 Å²	68	71%	0.711	33%	0.328	S	S	*	.			trans	-87.6	15.1	-179.6	-72.2	-21.1	0	0	0	114.2	I1018	N1016-I1018 PolarHBondContact O-N 2.82Å
1017	F	77.3	Confident	66.3	Low	45 Å²	45	70.6 Å²	70.6	20%	0.197	34%	0.34	C	S	.	.			trans	-70.9	127.2	175.8	-179.3	-88.1	0	0	0	111.2	Y979 H1008 C1009 C1015 H1019 L1029 H1032	Y979-F1017 HydrophobicContact CD1-CD1 4.49Å; Y979-F1017 HydrophobicContact CD1-CE1 4.44Å; Y979-F1017 AromaticContact CE1-CD1 3.83Å; Y979-F1017 HydrophobicContact CE1-CD1 3.83Å; Y979-F1017 AromaticContact CE1-CE1 3.72Å; Y979-F1017 HydrophobicContact CE1-CE1 3.72Å; H1008-F1017 WeakPolarHBondContact CA-O 3.43Å; C1009-F1017 HydrophobicContact CB-CB 4.28Å; C1009-F1017 PolarHBondContact N-O 3.2Å; C1015-F1017 VanDerWaalsContact C-N 3.29Å; C1015-F1017 PolarHBondContact O-N 2.88Å; F1017-H1019 HydrophobicContact CE1-CB 4.04Å; F1017-H1019 HydrophobicContact CZ-CB 4.32Å; F1017-L1029 HydrophobicContact CE1-CD2 3.95Å; F1017-L1029 HydrophobicContact CZ-CD2 4.39Å; F1017-H1032 WeakPolarHBondContact CB-CE1 3.43Å; F1017-H1032 VanDerWaalsContact CB-NE2 3.26Å; F1017-H1032 WeakPolarHBondContact CB-NE2 3.31Å; F1017-H1032 HydrophobicContact CD1-CB 4.45Å; F1017-H1032 AromaticContact CD1-CD2 3.54Å; F1017-H1032 AromaticContact CD1-CG 3.8Å; F1017-H1032 AromaticContact CD1-NE2 3.91Å; F1017-H1032 HydrophobicContact CD2-CB 4.06Å; F1017-H1032 AromaticContact CD2-CD2 3.98Å; F1017-H1032 AromaticContact CD2-CE1 3.77Å; F1017-H1032 AromaticContact CD2-CG 3.47Å; F1017-H1032 VanDerWaalsContact CD2-CG 3.47Å; F1017-H1032 AromaticContact CD2-ND1 3.33Å; F1017-H1032 VanDerWaalsContact CD2-ND1 3.33Å; F1017-H1032 WeakPolarHBondContact CD2-ND1 3.49Å; F1017-H1032 HydrophobicContact CE1-CB 4.2Å; F1017-H1032 HydrophobicContact CE2-CB 3.77Å; F1017-H1032 AromaticContact CE2-CG 3.73Å; F1017-H1032 AromaticContact CE2-ND1 3.94Å; F1017-H1032 HydrophobicContact CG-CB 4.38Å; F1017-H1032 AromaticContact CG-CD2 3.5Å; F1017-H1032 VanDerWaalsContact CG-CD2 3.5Å; F1017-H1032 WeakPolarHBondContact CG-CD2 3.14Å; F1017-H1032 AromaticContact CG-CE1 3.55Å; F1017-H1032 AromaticContact CG-CG 3.5Å; F1017-H1032 AromaticContact CG-ND1 3.54Å; F1017-H1032 AromaticContact CG-NE2 3.51Å; F1017-H1032 HydrophobicContact CZ-CB 3.85Å
1018	I	74.5	Confident	65.7	Low	53 Å²	53	73.7 Å²	73.7	27%	0.272	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.2	-177.4	-62.4	173.5	0	0	0	108	M989 H1006 I1007 N1016	M989-I1018 HydrophobicContact CG-CD1 3.75Å; M989-I1018 HydrophobicContact CG-CG2 4.43Å; H1006-I1018 HydrophobicContact CB-CG2 3.78Å; I1007-I1018 CarbonylContact O-C 3.55Å; I1007-I1018 WeakPolarHBondContact O-CA 3.29Å; N1016-I1018 PolarHBondContact O-N 2.82Å
1019	H	74.2	Confident	65.1	Low	32 Å²	32	73.5 Å²	73.5	15%	0.148	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149	174.9	-157	79.2	0	0	0	112	H1006 I1007 F1017 D1023 L1029	H1006-H1019 CarbonylContact C-O 3.6Å; H1006-H1019 VanDerWaalsContact CA-O 3.26Å; H1006-H1019 WeakPolarHBondContact CA-O 3.47Å; H1006-H1019 WeakPolarHBondContact CB-O 3.44Å; I1007-H1019 HydrophobicContact CD1-CB 4.32Å; I1007-H1019 HydrophobicContact CG1-CB 4.04Å; I1007-H1019 VanDerWaalsContact CG1-O 3.31Å; I1007-H1019 WeakPolarHBondContact CG1-O 3.31Å; I1007-H1019 PolarHBondContact N-O 2.83Å; I1007-H1019 PolarHBondContact O-N 2.88Å; F1017-H1019 HydrophobicContact CE1-CB 4.04Å; F1017-H1019 HydrophobicContact CZ-CB 4.32Å; H1019-D1023 PolarHBondContact NE2-O 3.41Å; H1019-L1029 HydrophobicContact CB-CD2 4.18Å
1020	S	71.3	Confident	64	Low	37 Å²	37	76.6 Å²	76.6	26%	0.259	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.1	-179.7	171.8	0	0	0	0	112.3	K1022 D1023	S1020-K1022 PolarHBondContact O-N 3.46Å; S1020-K1022 PolarHBondContact OG-N 2.88Å; S1020-K1022 VanDerWaalsContact OG-N 3.08Å; S1020-D1023 WeakPolarHBondContact CB-OD2 3.48Å; S1020-D1023 PolarHBondContact O-N 3.34Å; S1020-D1023 PolarHBondContact OG-N 3.35Å; S1020-D1023 PolarHBondContact OG-OD2 3Å
1021	I	61	Low	63.4	Low	49 Å²	49	74.5 Å²	74.5	25%	0.251	36%	0.362	S	S	.	.	S	Bend	trans	-74	-17.4	172.2	-63.8	175.4	0	0	0	111.8	E981 G1005 I1007 L1024	E981-I1021 HydrophobicContact CB-CD1 4.38Å; E981-I1021 HydrophobicContact CG-CD1 3.95Å; G1005-I1021 VanDerWaalsContact O-CB 3.25Å; G1005-I1021 WeakPolarHBondContact O-CB 3.19Å; G1005-I1021 WeakPolarHBondContact O-CG1 3.48Å; G1005-I1021 PolarHBondContact O-N 2.86Å; I1007-I1021 HydrophobicContact CG2-CD1 4Å; I1007-I1021 HydrophobicContact CG2-CG1 3.87Å; I1021-L1024 HydrophobicContact CG2-CD1 4.43Å; I1021-L1024 WeakPolarHBondContact O-CD1 3.34Å
1022	K	49.7	Very low	63.6	Low	129 Å²	129	71.7 Å²	71.7	56%	0.561	35%	0.352	S	S	*	.	S	Bend	trans	-80.7	-23.2	174.6	-70	178.6	171.9	175.1	0	112.7	N1004 S1020	N1004-K1022 WeakPolarHBondContact OD1-CE 3.26Å; N1004-K1022 PolarHBondContact OD1-NZ 3.06Å; S1020-K1022 PolarHBondContact O-N 3.46Å; S1020-K1022 PolarHBondContact OG-N 2.88Å; S1020-K1022 VanDerWaalsContact OG-N 3.08Å
1023	D	57.8	Low	63.5	Low	108 Å²	108	69 Å²	69	58%	0.578	34%	0.344	S	S	*	.	S	Bend	trans	-126.7	37.1	-166.2	-45.9	-81	0	0	0	112.6	H1019 S1020 N1025	H1019-D1023 PolarHBondContact NE2-O 3.41Å; S1020-D1023 WeakPolarHBondContact CB-OD2 3.48Å; S1020-D1023 PolarHBondContact O-N 3.34Å; S1020-D1023 PolarHBondContact OG-N 3.35Å; S1020-D1023 PolarHBondContact OG-OD2 3Å; D1023-N1025 PolarHBondContact O-N 3.47Å
1024	L	54.8	Low	63.4	Low	49 Å²	49	68.5 Å²	68.5	26%	0.257	34%	0.336	S	S	.	.			trans	-54.7	105.9	-177.1	-90	88.9	0	0	0	112	I1021 F1026 L1029	I1021-L1024 HydrophobicContact CG2-CD1 4.43Å; I1021-L1024 WeakPolarHBondContact O-CD1 3.34Å; L1024-F1026 HydrophobicContact CB-CE2 4.13Å; L1024-F1026 HydrophobicContact CB-CZ 3.97Å; L1024-F1026 HydrophobicContact CD2-CE1 3.87Å; L1024-F1026 HydrophobicContact CD2-CZ 3.88Å; L1024-L1029 HydrophobicContact CB-CD1 4.5Å; L1024-L1029 HydrophobicContact CD2-CD1 4.14Å; L1024-L1029 HydrophobicContact CG-CD1 4.24Å
1025	N	61.6	Low	63.8	Low	74 Å²	74	63.9 Å²	63.9	40%	0.396	33%	0.325	S	S	.	.			trans	-100.3	99.7	170.3	-175.7	-15.5	0	0	0	108.6	D1023 Q1027 L1028 L1029	D1023-N1025 PolarHBondContact O-N 3.47Å; N1025-Q1027 PolarHBondContact O-N 2.86Å; N1025-Q1027 WeakPolarHBondContact OD1-CB 3.28Å; N1025-Q1027 PolarHBondContact OD1-N 3.38Å; N1025-Q1027 VanDerWaalsContact OD1-N 3.09Å; N1025-L1028 HydrophobicContact CB-CB 4.24Å; N1025-L1028 HydrophobicContact CB-CD1 4.21Å; N1025-L1028 PolarHBondContact O-N 3.24Å; N1025-L1028 VanDerWaalsContact O-N 3.16Å; N1025-L1029 WeakPolarHBondContact O-CG 3.48Å; N1025-L1029 PolarHBondContact O-N 2.95Å
1026	F	54.4	Low	63.2	Low	53 Å²	53	65.1 Å²	65.1	23%	0.232	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-24.8	-177.8	-59.8	-83	0	0	0	113.5	T893 I972 L1024 Y1030	T893-F1026 HydrophobicContact CG2-CD2 4.32Å; T893-F1026 HydrophobicContact CG2-CE1 4.48Å; T893-F1026 HydrophobicContact CG2-CE2 3.51Å; T893-F1026 HydrophobicContact CG2-CZ 3.61Å; I972-F1026 HydrophobicContact CG1-CD1 4.47Å; I972-F1026 HydrophobicContact CG2-CE1 4.24Å; L1024-F1026 HydrophobicContact CB-CE2 4.13Å; L1024-F1026 HydrophobicContact CB-CZ 3.97Å; L1024-F1026 HydrophobicContact CD2-CE1 3.87Å; L1024-F1026 HydrophobicContact CD2-CZ 3.88Å; F1026-Y1030 VanDerWaalsContact O-CB 3.22Å; F1026-Y1030 WeakPolarHBondContact O-CB 3.48Å; F1026-Y1030 PolarHBondContact O-N 3.47Å
1027	Q	56	Low	62.3	Low	77 Å²	77	62.5 Å²	62.5	36%	0.36	32%	0.315	S	S	.	.	H	α-helix	trans	-67.9	-52.3	173.8	-172.8	68.8	22	0	0	110.6	N1025 L1029 Y1030 E1031	N1025-Q1027 PolarHBondContact O-N 2.86Å; N1025-Q1027 WeakPolarHBondContact OD1-CB 3.28Å; N1025-Q1027 PolarHBondContact OD1-N 3.38Å; N1025-Q1027 VanDerWaalsContact OD1-N 3.09Å; Q1027-L1029 VanDerWaalsContact C-N 3.29Å; Q1027-L1029 PolarHBondContact O-N 3.37Å; Q1027-Y1030 PolarHBondContact O-N 3.03Å; Q1027-E1031 WeakPolarHBondContact CG-OE1 3.43Å; Q1027-E1031 PolarHBondContact NE2-OE1 2.85Å; Q1027-E1031 WeakPolarHBondContact O-CB 3.43Å; Q1027-E1031 WeakPolarHBondContact O-CG 3.49Å; Q1027-E1031 PolarHBondContact O-N 2.88Å
1028	L	63	Low	60.8	Low	78 Å²	78	67.7 Å²	67.7	41%	0.408	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-37.2	177	-89.7	167	0	0	0	112.5	N1025 H1032	N1025-L1028 HydrophobicContact CB-CB 4.24Å; N1025-L1028 HydrophobicContact CB-CD1 4.21Å; N1025-L1028 PolarHBondContact O-N 3.24Å; N1025-L1028 VanDerWaalsContact O-N 3.16Å; L1028-H1032 VanDerWaalsContact O-CB 3.27Å; L1028-H1032 WeakPolarHBondContact O-CB 3.33Å; L1028-H1032 PolarHBondContact O-N 2.97Å
1029	L	64.7	Low	59.2	Low	1 Å²	1	69.5 Å²	69.5	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-51.4	174.2	-66.4	165.2	0	0	0	110.6	Y979 I1007 F1017 H1019 L1024 N1025 Q1027 E1031 H1032 L1033	Y979-L1029 HydrophobicContact CD1-CD2 4Å; Y979-L1029 HydrophobicContact CD2-CD2 3.94Å; Y979-L1029 HydrophobicContact CE1-CD2 3.72Å; Y979-L1029 HydrophobicContact CE2-CB 3.93Å; Y979-L1029 HydrophobicContact CE2-CD2 3.69Å; Y979-L1029 HydrophobicContact CE2-CG 4.36Å; Y979-L1029 HydrophobicContact CG-CD2 4.15Å; Y979-L1029 PolarHBondContact OH-O 3.1Å; I1007-L1029 HydrophobicContact CD1-CD1 4.36Å; I1007-L1029 HydrophobicContact CD1-CD2 3.83Å; F1017-L1029 HydrophobicContact CE1-CD2 3.95Å; F1017-L1029 HydrophobicContact CZ-CD2 4.39Å; H1019-L1029 HydrophobicContact CB-CD2 4.18Å; L1024-L1029 HydrophobicContact CB-CD1 4.5Å; L1024-L1029 HydrophobicContact CD2-CD1 4.14Å; L1024-L1029 HydrophobicContact CG-CD1 4.24Å; N1025-L1029 WeakPolarHBondContact O-CG 3.48Å; N1025-L1029 PolarHBondContact O-N 2.95Å; Q1027-L1029 VanDerWaalsContact C-N 3.29Å; Q1027-L1029 PolarHBondContact O-N 3.37Å; L1029-E1031 PolarHBondContact O-N 3.26Å; L1029-H1032 PolarHBondContact O-N 3.5Å; L1029-L1033 PolarHBondContact O-N 3.28Å
1030	Y	57.3	Low	57.8	Low	69 Å²	69	71.9 Å²	71.9	27%	0.271	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-40.5	179.7	-175.2	-90.4	0	0	0	112.9	F1026 Q1027 L1033 L1034	F1026-Y1030 VanDerWaalsContact O-CB 3.22Å; F1026-Y1030 WeakPolarHBondContact O-CB 3.48Å; F1026-Y1030 PolarHBondContact O-N 3.47Å; Q1027-Y1030 PolarHBondContact O-N 3.03Å; Y1030-L1033 PolarHBondContact O-N 2.69Å; Y1030-L1034 HydrophobicContact CD1-CD1 3.77Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.54Å; Y1030-L1034 HydrophobicContact CE1-CG 4.25Å; Y1030-L1034 PolarHBondContact O-N 3.1Å; Y1030-L1034 VanDerWaalsContact O-N 3.12Å
1031	E	60.1	Low	56.6	Low	92 Å²	92	71.9 Å²	71.9	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-38.3	173.6	-74.1	172.1	176.9	0	0	112.2	Q1027 L1029 L1034	Q1027-E1031 WeakPolarHBondContact CG-OE1 3.43Å; Q1027-E1031 PolarHBondContact NE2-OE1 2.85Å; Q1027-E1031 WeakPolarHBondContact O-CB 3.43Å; Q1027-E1031 WeakPolarHBondContact O-CG 3.49Å; Q1027-E1031 PolarHBondContact O-N 2.88Å; L1029-E1031 PolarHBondContact O-N 3.26Å; E1031-L1034 WeakPolarHBondContact O-CB 3.43Å; E1031-L1034 PolarHBondContact O-N 3.14Å
1032	H	71.1	Confident	55.8	Low	25 Å²	25	73.4 Å²	73.4	12%	0.116	37%	0.365	C	S	.	.	H	α-helix	trans	-67.1	-39.5	172.9	-176.5	66.9	0	0	0	112.4	C1015 F1017 L1028 L1029 L1034 T1035 H1036	C1015-H1032 PolarHBondContact SG-CE1 3.49Å; C1015-H1032 PolarHBondContact SG-NE2 3.35Å; C1015-H1032 VanDerWaalsContact SG-NE2 3.43Å; F1017-H1032 WeakPolarHBondContact CB-CE1 3.43Å; F1017-H1032 VanDerWaalsContact CB-NE2 3.26Å; F1017-H1032 WeakPolarHBondContact CB-NE2 3.31Å; F1017-H1032 HydrophobicContact CD1-CB 4.45Å; F1017-H1032 AromaticContact CD1-CD2 3.54Å; F1017-H1032 AromaticContact CD1-CG 3.8Å; F1017-H1032 AromaticContact CD1-NE2 3.91Å; F1017-H1032 HydrophobicContact CD2-CB 4.06Å; F1017-H1032 AromaticContact CD2-CD2 3.98Å; F1017-H1032 AromaticContact CD2-CE1 3.77Å; F1017-H1032 AromaticContact CD2-CG 3.47Å; F1017-H1032 VanDerWaalsContact CD2-CG 3.47Å; F1017-H1032 AromaticContact CD2-ND1 3.33Å; F1017-H1032 VanDerWaalsContact CD2-ND1 3.33Å; F1017-H1032 WeakPolarHBondContact CD2-ND1 3.49Å; F1017-H1032 HydrophobicContact CE1-CB 4.2Å; F1017-H1032 HydrophobicContact CE2-CB 3.77Å; F1017-H1032 AromaticContact CE2-CG 3.73Å; F1017-H1032 AromaticContact CE2-ND1 3.94Å; F1017-H1032 HydrophobicContact CG-CB 4.38Å; F1017-H1032 AromaticContact CG-CD2 3.5Å; F1017-H1032 VanDerWaalsContact CG-CD2 3.5Å; F1017-H1032 WeakPolarHBondContact CG-CD2 3.14Å; F1017-H1032 AromaticContact CG-CE1 3.55Å; F1017-H1032 AromaticContact CG-CG 3.5Å; F1017-H1032 AromaticContact CG-ND1 3.54Å; F1017-H1032 AromaticContact CG-NE2 3.51Å; F1017-H1032 HydrophobicContact CZ-CB 3.85Å; L1028-H1032 VanDerWaalsContact O-CB 3.27Å; L1028-H1032 WeakPolarHBondContact O-CB 3.33Å; L1028-H1032 PolarHBondContact O-N 2.97Å; L1029-H1032 PolarHBondContact O-N 3.5Å; H1032-L1034 VanDerWaalsContact C-N 3.27Å; H1032-L1034 PolarHBondContact O-N 3.13Å; H1032-T1035 PolarHBondContact O-N 3.26Å; H1032-T1035 PolarHBondContact O-OG1 3.34Å; H1032-H1036 AromaticContact CD2-NE2 3.85Å; H1032-H1036 AromaticContact CE1-NE2 3.31Å; H1032-H1036 PolarHBondContact CE1-NE2 3.07Å; H1032-H1036 VanDerWaalsContact CE1-NE2 3.31Å; H1032-H1036 AromaticContact NE2-CD2 3.58Å; H1032-H1036 AromaticContact NE2-NE2 2.91Å; H1032-H1036 PolarHBondContact NE2-NE2 3.4Å; H1032-H1036 PolarHBondContact O-CD2 3.27Å
1033	L	62.2	Low	55.5	Low	32 Å²	32	71.7 Å²	71.7	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-36.3	177.8	-178.9	60.3	0	0	0	112.1	T978 L1029 Y1030 T1035 H1036	T978-L1033 HydrophobicContact CG2-CD1 3.75Å; T978-L1033 HydrophobicContact CG2-CD2 3.94Å; L1029-L1033 PolarHBondContact O-N 3.28Å; Y1030-L1033 PolarHBondContact O-N 2.69Å; L1033-T1035 PolarHBondContact O-N 3.17Å; L1033-H1036 PolarHBondContact O-N 3.17Å
1034	L	59.1	Low	54.9	Low	82 Å²	82	68.3 Å²	68.3	43%	0.429	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-29.1	175.9	-84.9	159.3	0	0	0	113.7	Y1030 E1031 H1032 H1036 I1041	Y1030-L1034 HydrophobicContact CD1-CD1 3.77Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.54Å; Y1030-L1034 HydrophobicContact CE1-CG 4.25Å; Y1030-L1034 PolarHBondContact O-N 3.1Å; Y1030-L1034 VanDerWaalsContact O-N 3.12Å; E1031-L1034 WeakPolarHBondContact O-CB 3.43Å; E1031-L1034 PolarHBondContact O-N 3.14Å; H1032-L1034 VanDerWaalsContact C-N 3.27Å; H1032-L1034 PolarHBondContact O-N 3.13Å; L1034-H1036 VanDerWaalsContact C-N 3.29Å; L1034-H1036 PolarHBondContact O-N 3.43Å; L1034-I1041 HydrophobicContact CD2-CD1 3.47Å; L1034-I1041 VanDerWaalsContact CD2-CD1 3.47Å; L1034-I1041 HydrophobicContact CG-CD1 4.1Å
1035	T	64.2	Low	54.5	Low	106 Å²	106	70 Å²	70	65%	0.65	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.1	-177.4	71.6	0	0	0	0	114	H1032 L1033	H1032-T1035 PolarHBondContact O-N 3.26Å; H1032-T1035 PolarHBondContact O-OG1 3.34Å; L1033-T1035 PolarHBondContact O-N 3.17Å
1036	H	60.8	Low	53.8	Low	44 Å²	44	70.2 Å²	70.2	20%	0.204	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-33.4	-171.4	-80.3	-72.3	0	0	0	115.7	C1009 Y1011 C1015 H1032 L1033 L1034	C1009-H1036 PolarHBondContact SG-NE2 3.35Å; Y1011-H1036 HydrophobicContact CD2-CB 4.01Å; Y1011-H1036 AromaticContact CD2-CE1 3.99Å; Y1011-H1036 AromaticContact CD2-CG 3.58Å; Y1011-H1036 AromaticContact CD2-ND1 3.46Å; Y1011-H1036 WeakPolarHBondContact CD2-ND1 3.43Å; Y1011-H1036 HydrophobicContact CE2-CB 3.68Å; Y1011-H1036 AromaticContact CE2-CG 3.8Å; C1015-H1036 PolarHBondContact SG-CE1 3.42Å; C1015-H1036 PolarHBondContact SG-NE2 3.23Å; H1032-H1036 AromaticContact CD2-NE2 3.85Å; H1032-H1036 AromaticContact CE1-NE2 3.31Å; H1032-H1036 PolarHBondContact CE1-NE2 3.07Å; H1032-H1036 VanDerWaalsContact CE1-NE2 3.31Å; H1032-H1036 AromaticContact NE2-CD2 3.58Å; H1032-H1036 AromaticContact NE2-NE2 2.91Å; H1032-H1036 PolarHBondContact NE2-NE2 3.4Å; H1032-H1036 PolarHBondContact O-CD2 3.27Å; L1033-H1036 PolarHBondContact O-N 3.17Å; L1034-H1036 VanDerWaalsContact C-N 3.29Å; L1034-H1036 PolarHBondContact O-N 3.43Å
1037	N	53	Low	53.3	Low	78 Å²	78	71.6 Å²	71.6	42%	0.417	36%	0.359	S	S	.	.			trans	-179.7	130.5	166.8	-118.5	-87.5	0	0	0	113.1	Q1039 L1040	N1037-Q1039 PolarHBondContact O-N 3.29Å; N1037-Q1039 WeakPolarHBondContact OD1-CG 3.21Å; N1037-L1040 PolarHBondContact O-N 3.12Å
1038	E	45.5	Very low	52.8	Low	153 Å²	153	69.7 Å²	69.7	72%	0.715	35%	0.351	S	S	*	.	H	α-helix	trans	-57.6	-32.2	164.9	-65.6	-175.2	114.1	0	0	112.4	L1040 I1041 N1042	E1038-L1040 VanDerWaalsContact C-N 3.29Å; E1038-L1040 PolarHBondContact O-N 3.13Å; E1038-I1041 CarbonylContact O-C 3.54Å; E1038-I1041 PolarHBondContact O-N 3.22Å; E1038-I1041 VanDerWaalsContact O-N 3.16Å; E1038-N1042 PolarHBondContact O-N 2.95Å; E1038-N1042 PolarHBondContact O-ND2 3.32Å
1039	Q	41.4	Very low	51.9	Low	91 Å²	91	69 Å²	69	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-29.2	-172.6	-60.9	-179.3	12.6	0	0	113.6	N323 N1037 K1043	N323-Q1039 PolarHBondContact ND2-NE2 3.07Å; N323-Q1039 WeakPolarHBondContact OD1-CG 3.41Å; N323-Q1039 PolarHBondContact OD1-OE1 3.15Å; N1037-Q1039 PolarHBondContact O-N 3.29Å; N1037-Q1039 WeakPolarHBondContact OD1-CG 3.21Å; Q1039-K1043 PolarHBondContact O-N 3.29Å
1040	L	44.2	Very low	51	Low	83 Å²	83	73.7 Å²	73.7	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-74.7	-41.6	175.3	-124.4	169.5	0	0	0	110.5	Y1011 N1037 E1038 K1043 L1044	Y1011-L1040 VanDerWaalsContact OH-CD1 3.29Å; Y1011-L1040 WeakPolarHBondContact OH-CD1 3.42Å; N1037-L1040 PolarHBondContact O-N 3.12Å; E1038-L1040 VanDerWaalsContact C-N 3.29Å; E1038-L1040 PolarHBondContact O-N 3.13Å; L1040-K1043 PolarHBondContact O-N 2.98Å; L1040-L1044 HydrophobicContact CD2-CD1 4.23Å; L1040-L1044 PolarHBondContact O-N 3.27Å; L1040-L1044 VanDerWaalsContact O-N 3.12Å
1041	I	46.3	Very low	50.1	Low	37 Å²	37	73.2 Å²	73.2	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-42.4	175.9	-70.3	173.8	0	0	0	110.6	L1034 E1038 K1043 L1044 I1045	L1034-I1041 HydrophobicContact CD2-CD1 3.47Å; L1034-I1041 VanDerWaalsContact CD2-CD1 3.47Å; L1034-I1041 HydrophobicContact CG-CD1 4.1Å; E1038-I1041 CarbonylContact O-C 3.54Å; E1038-I1041 PolarHBondContact O-N 3.22Å; E1038-I1041 VanDerWaalsContact O-N 3.16Å; I1041-K1043 VanDerWaalsContact C-N 3.28Å; I1041-K1043 PolarHBondContact O-N 2.72Å; I1041-L1044 CarbonylContact O-C 3.46Å; I1041-L1044 PolarHBondContact O-N 2.88Å; I1041-L1044 VanDerWaalsContact O-N 3.13Å; I1041-I1045 HydrophobicContact CG2-CD1 3.56Å; I1041-I1045 HydrophobicContact CG2-CG1 4.02Å; I1041-I1045 WeakPolarHBondContact O-CB 3.32Å; I1041-I1045 WeakPolarHBondContact O-CG1 3.48Å; I1041-I1045 PolarHBondContact O-N 3.5Å
1042	N	44.3	Very low	49.1	Very low	80 Å²	80	75.5 Å²	75.5	43%	0.428	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-33.3	176.1	-78.3	-34.9	0	0	0	113.1	E1038 N1046	E1038-N1042 PolarHBondContact O-N 2.95Å; E1038-N1042 PolarHBondContact O-ND2 3.32Å; N1042-N1046 WeakPolarHBondContact O-CB 3.43Å; N1042-N1046 PolarHBondContact O-N 3.44Å; N1042-N1046 VanDerWaalsContact O-N 3.15Å; N1042-N1046 PolarHBondContact O-ND2 2.92Å
1043	K	43.8	Very low	47.6	Very low	94 Å²	94	78.2 Å²	78.2	41%	0.409	39%	0.389	S	S	.	.	H	α-helix	trans	-71.3	-40.4	173.3	-74.6	170.8	175.5	171.9	0	112.3	T322 Q1039 L1040 I1041 N1046 L1047	T322-K1043 WeakPolarHBondContact O-CE 3.28Å; T322-K1043 PolarHBondContact O-NZ 2.94Å; T322-K1043 WeakPolarHBondContact OG1-CE 3.26Å; T322-K1043 PolarHBondContact OG1-NZ 3.32Å; Q1039-K1043 PolarHBondContact O-N 3.29Å; L1040-K1043 PolarHBondContact O-N 2.98Å; I1041-K1043 VanDerWaalsContact C-N 3.28Å; I1041-K1043 PolarHBondContact O-N 2.72Å; K1043-N1046 PolarHBondContact O-N 3.49Å; K1043-L1047 PolarHBondContact O-N 2.77Å
1044	L	44.1	Very low	46.2	Very low	36 Å²	36	81.7 Å²	81.7	19%	0.188	41%	0.408	C	S	.	.	H	α-helix	trans	-70.3	-39.7	176.4	-79.3	158.1	0	0	0	112.6	L974 L1040 I1041 N1046 L1047 I1048	L974-L1044 HydrophobicContact CD1-CD2 4.35Å; L974-L1044 HydrophobicContact CD2-CD1 3.94Å; L974-L1044 HydrophobicContact CD2-CD2 4.37Å; L974-L1044 HydrophobicContact CG-CD1 4.37Å; L1040-L1044 HydrophobicContact CD2-CD1 4.23Å; L1040-L1044 PolarHBondContact O-N 3.27Å; L1040-L1044 VanDerWaalsContact O-N 3.12Å; I1041-L1044 CarbonylContact O-C 3.46Å; I1041-L1044 PolarHBondContact O-N 2.88Å; I1041-L1044 VanDerWaalsContact O-N 3.13Å; L1044-N1046 PolarHBondContact O-N 2.94Å; L1044-L1047 PolarHBondContact O-N 3.23Å; L1044-I1048 WeakPolarHBondContact O-CB 3.18Å; L1044-I1048 VanDerWaalsContact O-CG1 3.31Å; L1044-I1048 WeakPolarHBondContact O-CG1 3.36Å; L1044-I1048 PolarHBondContact O-N 2.88Å
1045	I	47.1	Very low	45	Very low	86 Å²	86	80.8 Å²	80.8	44%	0.441	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-48	172.3	-73.8	175.1	0	0	0	109.9	I1041 L1047 I1048 H1049	I1041-I1045 HydrophobicContact CG2-CD1 3.56Å; I1041-I1045 HydrophobicContact CG2-CG1 4.02Å; I1041-I1045 WeakPolarHBondContact O-CB 3.32Å; I1041-I1045 WeakPolarHBondContact O-CG1 3.48Å; I1041-I1045 PolarHBondContact O-N 3.5Å; I1045-L1047 VanDerWaalsContact C-N 3.29Å; I1045-L1047 PolarHBondContact O-N 2.9Å; I1045-I1048 PolarHBondContact O-N 2.89Å; I1045-H1049 WeakPolarHBondContact O-CB 3.35Å; I1045-H1049 PolarHBondContact O-N 3.31Å
1046	N	46.2	Very low	43.5	Very low	78 Å²	78	84.6 Å²	84.6	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-35	177.8	-83.3	-62.4	0	0	0	113.1	N1042 K1043 L1044 N1050	N1042-N1046 WeakPolarHBondContact O-CB 3.43Å; N1042-N1046 PolarHBondContact O-N 3.44Å; N1042-N1046 VanDerWaalsContact O-N 3.15Å; N1042-N1046 PolarHBondContact O-ND2 2.92Å; K1043-N1046 PolarHBondContact O-N 3.49Å; L1044-N1046 PolarHBondContact O-N 2.94Å; N1046-N1050 PolarHBondContact O-N 3.46Å; N1046-N1050 PolarHBondContact O-ND2 3.49Å
1047	L	45.5	Very low	42	Very low	81 Å²	81	87.4 Å²	87.4	42%	0.424	42%	0.423	S	S	.	.	H	α-helix	trans	-71	-46.5	173.9	-78.5	162.9	0	0	0	112.5	L845 K1043 L1044 I1045 H1049 N1050 Y1051	L845-L1047 HydrophobicContact CD2-CD1 4.07Å; K1043-L1047 PolarHBondContact O-N 2.77Å; L1044-L1047 PolarHBondContact O-N 3.23Å; I1045-L1047 VanDerWaalsContact C-N 3.29Å; I1045-L1047 PolarHBondContact O-N 2.9Å; L1047-H1049 VanDerWaalsContact C-N 3.28Å; L1047-H1049 PolarHBondContact O-N 3.43Å; L1047-N1050 PolarHBondContact O-N 3.44Å; L1047-Y1051 PolarHBondContact O-N 3.38Å
1048	I	45.2	Very low	40.7	Very low	38 Å²	38	89.6 Å²	89.6	20%	0.195	43%	0.431	C	S	.	.	H	α-helix	trans	-62.9	-36.4	176.4	-68.3	164.8	0	0	0	111	L1044 I1045 Y1051 K1052	L1044-I1048 WeakPolarHBondContact O-CB 3.18Å; L1044-I1048 VanDerWaalsContact O-CG1 3.31Å; L1044-I1048 WeakPolarHBondContact O-CG1 3.36Å; L1044-I1048 PolarHBondContact O-N 2.88Å; I1045-I1048 PolarHBondContact O-N 2.89Å; I1048-Y1051 PolarHBondContact O-N 3.45Å; I1048-K1052 WeakPolarHBondContact O-CG 3.34Å; I1048-K1052 PolarHBondContact O-N 3.34Å
1049	H	44.1	Very low	39.8	Very low	63 Å²	63	89.8 Å²	89.8	29%	0.292	44%	0.437	S	S	.	.	H	α-helix	trans	-68.1	-42.6	176.7	-177.5	-59.8	0	0	0	111.6	I1045 L1047 Y1051 K1052 Q1053 I1166	I1045-H1049 WeakPolarHBondContact O-CB 3.35Å; I1045-H1049 PolarHBondContact O-N 3.31Å; L1047-H1049 VanDerWaalsContact C-N 3.28Å; L1047-H1049 PolarHBondContact O-N 3.43Å; H1049-Y1051 VanDerWaalsContact C-N 3.27Å; H1049-Y1051 PolarHBondContact O-N 3Å; H1049-K1052 PolarHBondContact O-N 3.39Å; H1049-Q1053 VanDerWaalsContact O-CG 3.25Å; H1049-Q1053 WeakPolarHBondContact O-CG 3.4Å; H1049-Q1053 PolarHBondContact O-N 3.47Å; H1049-I1166 VanDerWaalsContact NE2-CG2 3.32Å; H1049-I1166 WeakPolarHBondContact NE2-CG2 3.29Å
1050	N	44.8	Very low	39.1	Very low	99 Å²	99	94.2 Å²	94.2	53%	0.529	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-34.9	169.2	-82.9	-36.8	0	0	0	112.1	N1046 L1047 Q1053	N1046-N1050 PolarHBondContact O-N 3.46Å; N1046-N1050 PolarHBondContact O-ND2 3.49Å; L1047-N1050 PolarHBondContact O-N 3.44Å; N1050-Q1053 WeakPolarHBondContact O-CB 3.38Å; N1050-Q1053 PolarHBondContact O-N 3.26Å
1051	Y	39	Very low	38.1	Very low	60 Å²	60	96.4 Å²	96.4	24%	0.235	47%	0.467	C	S	.	.	H	α-helix	trans	-72.5	-35.4	176	-116.5	-82.9	0	0	0	114.2	I849 N853 L1047 I1048 H1049 Q1053 L1054 N1055	I849-Y1051 HydrophobicContact CG2-CE2 3.96Å; N853-Y1051 VanDerWaalsContact CG-OH 3.24Å; N853-Y1051 PolarHBondContact ND2-OH 3.17Å; N853-Y1051 WeakPolarHBondContact OD1-CE1 3.37Å; N853-Y1051 VanDerWaalsContact OD1-CZ 3.3Å; N853-Y1051 PolarHBondContact OD1-OH 3.05Å; L1047-Y1051 PolarHBondContact O-N 3.38Å; I1048-Y1051 PolarHBondContact O-N 3.45Å; H1049-Y1051 VanDerWaalsContact C-N 3.27Å; H1049-Y1051 PolarHBondContact O-N 3Å; Y1051-Q1053 VanDerWaalsContact C-N 3.28Å; Y1051-Q1053 PolarHBondContact O-N 3.1Å; Y1051-L1054 PolarHBondContact O-N 3.21Å; Y1051-N1055 PolarHBondContact O-N 3.42Å
1052	K	38.9	Very low	37	Very low	139 Å²	139	101.7 Å²	101.7	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-64.6	-31.5	172.9	-76.3	178.4	179	177.3	0	112.6	I1048 H1049 L1054	I1048-K1052 WeakPolarHBondContact O-CG 3.34Å; I1048-K1052 PolarHBondContact O-N 3.34Å; H1049-K1052 PolarHBondContact O-N 3.39Å; K1052-L1054 VanDerWaalsContact C-N 3.31Å; K1052-L1054 PolarHBondContact O-N 3.43Å
1053	Q	40.2	Very low	36	Very low	82 Å²	82	107.6 Å²	107.6	38%	0.383	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-32.8	174	-65.1	-102.1	49.9	0	0	112.6	H1049 N1050 Y1051 N1057	H1049-Q1053 VanDerWaalsContact O-CG 3.25Å; H1049-Q1053 WeakPolarHBondContact O-CG 3.4Å; H1049-Q1053 PolarHBondContact O-N 3.47Å; N1050-Q1053 WeakPolarHBondContact O-CB 3.38Å; N1050-Q1053 PolarHBondContact O-N 3.26Å; Y1051-Q1053 VanDerWaalsContact C-N 3.28Å; Y1051-Q1053 PolarHBondContact O-N 3.1Å; Q1053-N1057 PolarHBondContact O-ND2 3.27Å
1054	L	33.3	Very low	35.2	Very low	106 Å²	106	113 Å²	113	56%	0.555	53%	0.533	S	S	*	.	H	α-helix	trans	-74	-49.5	179.3	-66.6	169.5	0	0	0	111.4	Y1051 K1052 Y1056 N1057	Y1051-L1054 PolarHBondContact O-N 3.21Å; K1052-L1054 VanDerWaalsContact C-N 3.31Å; K1052-L1054 PolarHBondContact O-N 3.43Å; L1054-Y1056 VanDerWaalsContact C-N 3.28Å; L1054-Y1056 PolarHBondContact O-N 3.12Å; L1054-N1057 PolarHBondContact O-N 2.95Å
1055	N	32.8	Very low	34.1	Very low	62 Å²	62	121.1 Å²	121.1	33%	0.332	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	2.9	-172.2	-75.3	1.1	0	0	0	115.8	Y1051	Y1051-N1055 PolarHBondContact O-N 3.42Å
1056	Y	32.3	Very low	33.1	Very low	187 Å²	187	122.4 Å²	122.4	73%	0.733	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-5.1	171.8	-117	-90.1	0	0	0	114	L1054	L1054-Y1056 VanDerWaalsContact C-N 3.28Å; L1054-Y1056 PolarHBondContact O-N 3.12Å
1057	N	28.8	Very low	31.9	Very low	102 Å²	102	122.9 Å²	122.9	55%	0.545	59%	0.589	S	S	.	*	S	Bend	trans	-95.9	-7.7	-174.9	-74.7	-59.1	0	0	0	115.4	Q1053 L1054 N1059	Q1053-N1057 PolarHBondContact O-ND2 3.27Å; L1054-N1057 PolarHBondContact O-N 2.95Å; N1057-N1059 VanDerWaalsContact C-N 3.27Å; N1057-N1059 PolarHBondContact O-N 3.2Å
1058	E	26.6	Very low	30.9	Very low	125 Å²	125	126.4 Å²	126.4	58%	0.584	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-3.4	-180	-71.9	-168.7	152.5	0	0	114.5	Y857	Y857-E1058 PolarHBondContact OH-OE1 3.14Å
1059	N	26	Very low	29.9	Very low	156 Å²	156	131.5 Å²	131.5	83%	0.834	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	32.5	179.7	-91.7	-44.9	0	0	0	114.6	N1057	N1057-N1059 VanDerWaalsContact C-N 3.27Å; N1057-N1059 PolarHBondContact O-N 3.2Å
1060	Q	27.1	Very low	29	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	66%	0.663	S	S	*	*			trans	-157.4	50.2	161.9	-128.7	160.3	97.6	0	0	114.7	N1062	Q1060-N1062 PolarHBondContact O-N 3.48Å
1061	M	22.7	Very low	28.1	Very low	128 Å²	128	134.6 Å²	134.6	63%	0.631	66%	0.66	S	S	*	*			trans	-87.4	83.7	176.7	-78.7	-66.5	151.9	0	0	113.3
1062	N	23.3	Very low	27.5	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	68%	0.683	S	S	*	*			trans	-171.2	99.5	145.1	-108	-39.3	0	0	0	112	Q1060	Q1060-N1062 PolarHBondContact O-N 3.48Å
1063	Y	24.7	Very low	27.2	Very low	204 Å²	204	134.8 Å²	134.8	80%	0.8	67%	0.671	S	S	*	*	S	Bend		172.1	127.3	128.5	-100.2	-68.1	0	0	0	111.1
1064	Y	25.7	Very low	26.6	Very low	209 Å²	209	137.1 Å²	137.1	82%	0.82	69%	0.686	S	S	*	*			trans	50.5	85.8	169.5	-71.3	-74.6	0	0	0	118.9
1065	Y	22.2	Very low	26.5	Very low	205 Å²	205	135.1 Å²	135.1	80%	0.804	68%	0.68	S	S	*	*			trans	-72.9	136.1	148.1	-109	-94.4	0	0	0	110.6
1066	V	24.8	Very low	26.4	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.685	71%	0.709	S	S	*	*			trans	-130.2	115.1	156.8	176.4	0	0	0	0	106.6
1067	A	22.2	Very low	26.3	Very low	89 Å²	89	144 Å²	144	74%	0.736	71%	0.714	S	S	*	*			trans	-66.8	146.9	178.6	0	0	0	0	0	111.4
1068	M	25	Very low	26.2	Very low	155 Å²	155	152 Å²	152	76%	0.764	74%	0.736	S	S	*	*			trans	-133.7	106.7	176.5	-84.5	-77	165.1	0	0	109.5	T1070	M1068-T1070 PolarHBondContact O-N 3.14Å
1069	D	22.8	Very low	26.4	Very low	144 Å²	144	149 Å²	149	77%	0.77	74%	0.739	S	S	*	*			trans	-63.6	121.3	175.9	-73.8	-62.2	0	0	0	111.9	T1071	D1069-T1071 PolarHBondContact O-N 3.37Å
1070	T	25.7	Very low	26.7	Very low	149 Å²	149	152.7 Å²	152.7	91%	0.914	74%	0.741	S	S	*	*	S	Bend	trans	-80.9	51.6	177.5	40.2	0	0	0	0	112.8	M1068	M1068-T1070 PolarHBondContact O-N 3.14Å
1071	T	25	Very low	27	Very low	79 Å²	79	146.3 Å²	146.3	49%	0.485	72%	0.715	S	S	.	*			trans	-123.7	23.8	-174.3	61.3	0	0	0	0	115.6	D1069	D1069-T1071 PolarHBondContact O-N 3.37Å
1072	L	28.4	Very low	27.5	Very low	135 Å²	135	145.3 Å²	145.3	71%	0.707	72%	0.718	S	S	*	*			trans	-131.6	97.4	175.5	-92.4	106.9	0	0	0	117.3
1073	I	32	Very low	28	Very low	68 Å²	68	145 Å²	145	35%	0.349	71%	0.71	S	S	.	*				57.4	105.3	120.6	-60.1	170.5	0	0	0	118.2	Q663 S1075	Q663-I1073 VanDerWaalsContact OE1-CD1 3.25Å; I1073-S1075 PolarHBondContact O-N 3.02Å
1074	N	27.7	Very low	28.6	Very low	131 Å²	131	143 Å²	143	70%	0.701	70%	0.702	S	S	*	*			trans	-56.8	110.2	143.5	-94.9	-29.8	0	0	0	110
1075	S	30.7	Very low	29.2	Very low	63 Å²	63	135.7 Å²	135.7	44%	0.441	69%	0.685	S	S	.	*			trans	-151.1	127.7	160.6	70.4	0	0	0	0	112.7	I1073 R1077	I1073-S1075 PolarHBondContact O-N 3.02Å; S1075-R1077 PolarHBondContact O-N 3.47Å; S1075-R1077 VanDerWaalsContact O-N 3.11Å
1076	K	30.7	Very low	30.3	Very low	216 Å²	216	134.6 Å²	134.6	94%	0.939	69%	0.685	S	S	*	*			trans	-74.5	98.4	177.4	-71.9	176.9	179.4	172.1	0	110.5
1077	R	29.8	Very low	31.5	Very low	221 Å²	221	138.4 Å²	138.4	83%	0.834	69%	0.694	S	S	*	*			trans	-106.7	109.9	172.8	-65.9	-169.4	178.5	-141	-2.3	111.6	S1075 G1079	S1075-R1077 PolarHBondContact O-N 3.47Å; S1075-R1077 VanDerWaalsContact O-N 3.11Å; R1077-G1079 VanDerWaalsContact C-N 3.33Å; R1077-G1079 PolarHBondContact O-N 3.39Å
1078	R	27.9	Very low	33.3	Very low	269 Å²	269	136.4 Å²	136.4	100%	1.015	67%	0.671	S	S	*	*			trans	-74.9	87.3	162.4	-75.9	-177.4	172	178.1	-2.7	108.4
1079	G	29.5	Very low	35.4	Very low	61 Å²	61	135.6 Å²	135.6	63%	0.629	66%	0.661	S	S	*	*	S	Bend	trans	-160.5	169.3	-177.5	0	0	0	0	0	111.9	R1077	R1077-G1079 VanDerWaalsContact C-N 3.33Å; R1077-G1079 PolarHBondContact O-N 3.39Å
1080	R	32	Very low	37.7	Very low	235 Å²	235	128.8 Å²	128.8	89%	0.887	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-60.8	137.6	-176.4	-166.7	-178.8	-166.4	173.1	6	111.1
1081	P	34.7	Very low	39.8	Very low	50 Å²	50	123.4 Å²	123.4	33%	0.325	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-58.1	150	175.2	-25.4	34.6	0	0	0	112.9	Y1238	P1081-Y1238 HydrophobicContact CG-CE2 4.38Å
1082	P	32.4	Very low	42.2	Very low	107 Å²	107	120.6 Å²	120.6	70%	0.695	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-58	156	164.6	-19.3	32.4	0	0	0	111
1083	K	33.7	Very low	44.5	Very low	143 Å²	143	115.5 Å²	115.5	62%	0.622	55%	0.546	S	S	*	.	S	Bend	trans	-86.7	140.5	171.4	-64.7	-173.2	179.8	-178.9	0	110.5
1084	Y	37.3	Very low	46.3	Very low	160 Å²	160	117.3 Å²	117.3	63%	0.627	56%	0.557	S	S	*	*			trans	74.2	89.2	163.4	-36.9	-57	0	0	0	117.3	N1235	Y1084-N1235 WeakPolarHBondContact CE1-OD1 3.48Å
1085	A	39.5	Very low	48.6	Very low	56 Å²	56	111.6 Å²	111.6	46%	0.463	53%	0.527	S	S	.	.			trans	-102.9	116	137.1	0	0	0	0	0	107.5	I1088	A1085-I1088 HydrophobicContact CB-CD1 4.34Å
1086	K	44.6	Very low	50.7	Low	183 Å²	183	111.7 Å²	111.7	80%	0.796	53%	0.526	S	S	*	.			trans	-81.6	131.5	178.7	-69.4	-179	179.1	177.8	0	109.6	I1088	K1086-I1088 PolarHBondContact O-N 3.09Å
1087	H	50.5	Low	52.7	Low	192 Å²	192	109.1 Å²	109.1	89%	0.889	52%	0.517	S	S	*	.			trans	26.8	82.9	169.8	-74	-83.5	0	0	0	116.7
1088	I	60	Low	54.9	Low	47 Å²	47	103.7 Å²	103.7	24%	0.241	50%	0.501	C	S	.	.			trans	-86.6	112.6	164.5	-63.7	-179.6	0	0	0	107.3	A1085 K1086 R1216 R1217 P1218	A1085-I1088 HydrophobicContact CB-CD1 4.34Å; K1086-I1088 PolarHBondContact O-N 3.09Å; I1088-R1216 HydrophobicContact CG2-CB 3.59Å; I1088-R1217 HydrophobicContact CB-CG 4.35Å; I1088-R1217 HydrophobicContact CD1-CB 4.34Å; I1088-R1217 HydrophobicContact CD1-CG 4.16Å; I1088-R1217 HydrophobicContact CG2-CG 4.1Å; I1088-P1218 VanDerWaalsContact CD1-CD 3.44Å; I1088-P1218 HydrophobicContact CD1-CG 4.48Å
1089	Y	68.4	Low	57.3	Low	139 Å²	139	92.8 Å²	92.8	55%	0.545	46%	0.463	S	S	.	.			trans	-105	130.1	-176.7	-177.7	-115	0	0	0	111.2	P1091 R1216	Y1089-P1091 HydrophobicContact CE1-CB 4.45Å; Y1089-P1091 HydrophobicContact CE1-CG 4.48Å; Y1089-R1216 WeakPolarHBondContact O-CD 3.41Å
1090	V	70.6	Confident	59.6	Low	1 Å²	1	90.6 Å²	90.6	1%	0.006	44%	0.437	C	S	.	.			trans	-102.2	128	164.6	178.5	0	0	0	0	106.7	H1092 Y1180 Y1209 I1213 N1214 R1216	V1090-H1092 PolarHBondContact O-N 3.28Å; V1090-H1092 VanDerWaalsContact O-N 3.1Å; V1090-Y1180 HydrophobicContact CB-CD1 4.07Å; V1090-Y1180 HydrophobicContact CB-CE1 3.61Å; V1090-Y1180 HydrophobicContact CG1-CD1 3.64Å; V1090-Y1180 HydrophobicContact CG1-CE1 3.59Å; V1090-Y1180 WeakPolarHBondContact O-CE1 3.43Å; V1090-Y1180 PolarHBondContact O-OH 3.48Å; V1090-Y1209 HydrophobicContact CB-CE1 4.13Å; V1090-Y1209 HydrophobicContact CG1-CE1 4.44Å; V1090-Y1209 HydrophobicContact CG2-CE1 3.73Å; V1090-I1213 HydrophobicContact CG1-CG2 4.18Å; V1090-N1214 WeakPolarHBondContact CG2-O 3.35Å; V1090-R1216 HydrophobicContact CG2-CB 4.29Å; V1090-R1216 HydrophobicContact CG2-CG 3.91Å
1091	P	70.8	Confident	61.7	Low	35 Å²	35	83.3 Å²	83.3	23%	0.227	42%	0.415	C	S	.	.			trans	-58.5	115.4	179.5	-27	36.6	0	0	0	112.3	Y1089 P1158	Y1089-P1091 HydrophobicContact CE1-CB 4.45Å; Y1089-P1091 HydrophobicContact CE1-CG 4.48Å; P1091-P1158 HydrophobicContact CB-CB 4.26Å; P1091-P1158 WeakPolarHBondContact CB-O 3.41Å; P1091-P1158 WeakPolarHBondContact CG-O 3.46Å
1092	H	75.3	Confident	63.7	Low	20 Å²	20	81 Å²	81	9%	0.093	40%	0.4	C	S	.	.			trans	-112.9	134.2	172.1	-167.3	-93.8	0	0	0	108.5	V1090 N1094 K1176 Y1180	V1090-H1092 PolarHBondContact O-N 3.28Å; V1090-H1092 VanDerWaalsContact O-N 3.1Å; H1092-N1094 PolarHBondContact ND1-OD1 3.04Å; H1092-N1094 PolarHBondContact O-N 3.3Å; H1092-K1176 PolarHBondContact NE2-O 3.07Å; H1092-Y1180 HydrophobicContact CB-CE1 3.73Å; H1092-Y1180 AromaticContact CD2-CE1 3.89Å
1093	I	75.6	Confident	65.4	Low	29 Å²	29	82.3 Å²	82.3	15%	0.149	40%	0.401	C	S	.	.			trans	-75.4	122.5	168.1	-63.4	-164.1	0	0	0	107.2	P1095 F1141 K1149 Y1151 P1158 V1175	I1093-P1095 WeakPolarHBondContact O-CD 3.42Å; I1093-F1141 HydrophobicContact CG2-CD1 3.8Å; I1093-F1141 HydrophobicContact CG2-CE1 3.55Å; I1093-K1149 HydrophobicContact CD1-CD 3.99Å; I1093-Y1151 WeakPolarHBondContact CD1-OH 3.29Å; I1093-P1158 HydrophobicContact CD1-CG 4.12Å; I1093-P1158 HydrophobicContact CG1-CG 3.88Å; I1093-V1175 HydrophobicContact CB-CG1 4.29Å; I1093-V1175 HydrophobicContact CG2-CG1 4.45Å; I1093-V1175 WeakPolarHBondContact O-CG1 3.24Å
1094	N	70.6	Confident	67.3	Low	106 Å²	106	79.2 Å²	79.2	57%	0.567	39%	0.388	S	S	*	.			trans	-106.4	84.9	176.2	-61.7	-35.6	0	0	0	108.1	H1092	H1092-N1094 PolarHBondContact ND1-OD1 3.04Å; H1092-N1094 PolarHBondContact O-N 3.3Å
1095	P	75.8	Confident	68.9	Low	11 Å²	11	74.3 Å²	74.3	7%	0.071	37%	0.369	C	S	.	.			trans	-73	168.4	175.5	36.1	-37	0	0	0	109.9	I1093 L1099 F1141 I1144 V1175	I1093-P1095 WeakPolarHBondContact O-CD 3.42Å; P1095-L1099 HydrophobicContact CB-CB 4Å; P1095-L1099 HydrophobicContact CB-CD1 4.08Å; P1095-L1099 HydrophobicContact CG-CB 4.08Å; P1095-F1141 HydrophobicContact CB-CD1 3.74Å; P1095-F1141 HydrophobicContact CB-CE1 3.89Å; P1095-I1144 HydrophobicContact CB-CD1 4.12Å; P1095-I1144 HydrophobicContact CG-CD1 4.43Å; P1095-V1175 VanDerWaalsContact CD-CG1 3.42Å; P1095-V1175 HydrophobicContact CG-CG1 3.69Å
1096	P	74.8	Confident	70.3	Confident	65 Å²	65	78 Å²	78	42%	0.422	39%	0.385	S	S	.	.			trans	-49.4	145.6	169.2	-28.6	36.7	0	0	0	112.4	H1098 L1099	P1096-H1098 PolarHBondContact O-N 2.86Å; P1096-L1099 PolarHBondContact O-N 2.96Å
1097	E	73.5	Confident	71.9	Confident	162 Å²	162	71.8 Å²	71.8	76%	0.757	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-55.9	-32.2	-169.4	-171.2	166.9	-155.9	0	0	113.6	L1099 C1100 I1101	E1097-L1099 VanDerWaalsContact C-N 3.25Å; E1097-L1099 PolarHBondContact O-N 2.68Å; E1097-C1100 WeakPolarHBondContact O-CB 3.32Å; E1097-C1100 PolarHBondContact O-N 3.15Å; E1097-I1101 WeakPolarHBondContact O-CG1 3.44Å; E1097-I1101 PolarHBondContact O-N 3.34Å
1098	H	75.2	Confident	73.5	Confident	107 Å²	107	65.7 Å²	65.7	50%	0.495	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-61.9	-27.6	176.2	70.4	-97.5	0	0	0	114.1	P1096 F1120	P1096-H1098 PolarHBondContact O-N 2.86Å; H1098-F1120 AromaticContact NE2-CZ 3.84Å
1099	L	78.2	Confident	74.8	Confident	40 Å²	40	63.6 Å²	63.6	21%	0.209	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-85.7	-16.4	174.3	-61.5	-178.2	0	0	0	112.9	P1095 P1096 E1097 I1144 A1147	P1095-L1099 HydrophobicContact CB-CB 4Å; P1095-L1099 HydrophobicContact CB-CD1 4.08Å; P1095-L1099 HydrophobicContact CG-CB 4.08Å; P1096-L1099 PolarHBondContact O-N 2.96Å; E1097-L1099 VanDerWaalsContact C-N 3.25Å; E1097-L1099 PolarHBondContact O-N 2.68Å; L1099-I1144 HydrophobicContact CB-CG2 4.06Å; L1099-I1144 HydrophobicContact CD1-CB 4.49Å; L1099-I1144 HydrophobicContact CD1-CD1 4.48Å; L1099-A1147 VanDerWaalsContact O-CA 3.31Å; L1099-A1147 WeakPolarHBondContact O-CA 3.37Å; L1099-A1147 PolarHBondContact O-N 3.31Å
1100	C	79.2	Confident	75.7	Confident	15 Å²	15	60.5 Å²	60.5	10%	0.101	32%	0.322	C	S	.	.	S	Bend	trans	-78.8	-8.4	173.4	-67.4	0	0	0	0	113.1	E1097 A1147 P1177	E1097-C1100 WeakPolarHBondContact O-CB 3.32Å; E1097-C1100 PolarHBondContact O-N 3.15Å; C1100-A1147 WeakPolarHBondContact O-CB 3.49Å; C1100-P1177 HydrophobicContact CB-CG 4.16Å
1101	I	74.4	Confident	76.5	Confident	81 Å²	81	65 Å²	65	42%	0.415	34%	0.339	S	S	.	.			trans	-89.9	135.2	-176	-68.7	170	0	0	0	110.2	E1097 N1103	E1097-I1101 WeakPolarHBondContact O-CG1 3.44Å; E1097-I1101 PolarHBondContact O-N 3.34Å; I1101-N1103 HydrophobicContact CG2-CB 4.39Å; I1101-N1103 VanDerWaalsContact CG2-CG 3.43Å; I1101-N1103 WeakPolarHBondContact CG2-ND2 3.43Å; I1101-N1103 VanDerWaalsContact CG2-OD1 3.23Å; I1101-N1103 WeakPolarHBondContact CG2-OD1 3.4Å
1102	D	77.1	Confident	77.1	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.35	C	S	.	.			trans	-126.8	112.4	163.7	-177.1	3.2	0	0	0	106.6	K1104 Y1105 A1147 R1193	D1102-K1104 PolarHBondContact OD1-N 3.43Å; D1102-Y1105 HydrophobicContact CB-CE1 4.04Å; D1102-Y1105 WeakPolarHBondContact O-CE2 3.35Å; D1102-Y1105 PolarHBondContact O-OH 2.92Å; D1102-Y1105 VanDerWaalsContact O-OH 3.07Å; D1102-Y1105 WeakPolarHBondContact OD2-CD1 3.4Å; D1102-A1147 HydrophobicContact CB-CB 4.43Å; D1102-R1193 IonicContact OD1-NH2 3.74Å; D1102-R1193 PolarHBondContact OD1-NH2 3.49Å; D1102-R1193 VanDerWaalsContact OD1-NH2 3.1Å; D1102-R1193 IonicContact OD2-CZ 2.67Å; D1102-R1193 VanDerWaalsContact OD2-CZ 3.25Å; D1102-R1193 IonicContact OD2-NE 3.91Å; D1102-R1193 PolarHBondContact OD2-NE 3.4Å; D1102-R1193 IonicContact OD2-NH2 2.81Å; D1102-R1193 PolarHBondContact OD2-NH2 2.91Å
1103	N	67.9	Low	77.6	Confident	136 Å²	136	67.3 Å²	67.3	73%	0.727	36%	0.355	S	S	*	.			trans	-111.8	-0.5	178	-72.6	-12.3	0	0	0	111.7	I1101	I1101-N1103 HydrophobicContact CG2-CB 4.39Å; I1101-N1103 VanDerWaalsContact CG2-CG 3.43Å; I1101-N1103 WeakPolarHBondContact CG2-ND2 3.43Å; I1101-N1103 VanDerWaalsContact CG2-OD1 3.23Å; I1101-N1103 WeakPolarHBondContact CG2-OD1 3.4Å
1104	K	74.6	Confident	78.1	Confident	78 Å²	78	66.5 Å²	66.5	34%	0.339	35%	0.35	S	S	.	.			trans	-123.5	55.3	-176.8	-54.1	-169.8	-156.7	161.7	0	110.2	D1102 T1106 T1107 E1119 Y1146 R1193	D1102-K1104 PolarHBondContact OD1-N 3.43Å; K1104-T1106 PolarHBondContact O-N 2.78Å; K1104-T1106 VanDerWaalsContact O-N 3.17Å; K1104-T1107 VanDerWaalsContact CB-OG1 3.27Å; K1104-T1107 WeakPolarHBondContact CB-OG1 3.43Å; K1104-T1107 PolarHBondContact O-N 3.29Å; K1104-T1107 PolarHBondContact O-OG1 3.29Å; K1104-E1119 IonicContact NZ-OE1 3.83Å; K1104-E1119 PolarHBondContact NZ-OE1 3.26Å; K1104-E1119 IonicContact NZ-OE2 3.27Å; K1104-Y1146 HydrophobicContact CB-CE1 4.19Å; K1104-Y1146 HydrophobicContact CD-CE1 3.85Å; K1104-Y1146 WeakPolarHBondContact CD-OH 3.44Å; K1104-Y1146 HydrophobicContact CG-CE1 4.09Å; K1104-Y1146 PolarHBondContact NZ-OH 3.34Å; K1104-R1193 PolarHBondContact O-NH2 2.99Å
1105	Y	70.8	Confident	78.8	Confident	57 Å²	57	65.5 Å²	65.5	22%	0.224	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.7	175.9	-56.2	-75.3	0	0	0	112.9	D1102 T1107 K1176 R1193 R1194 H1197	D1102-Y1105 HydrophobicContact CB-CE1 4.04Å; D1102-Y1105 WeakPolarHBondContact O-CE2 3.35Å; D1102-Y1105 PolarHBondContact O-OH 2.92Å; D1102-Y1105 VanDerWaalsContact O-OH 3.07Å; D1102-Y1105 WeakPolarHBondContact OD2-CD1 3.4Å; Y1105-T1107 VanDerWaalsContact C-N 3.29Å; Y1105-T1107 PolarHBondContact O-N 3.06Å; Y1105-K1176 PolarHBondContact OH-NZ 2.82Å; Y1105-R1193 WeakPolarHBondContact CD1-O 3.4Å; Y1105-R1194 WeakPolarHBondContact O-CD 3.44Å; Y1105-R1194 VanDerWaalsContact O-CG 3.22Å; Y1105-R1194 WeakPolarHBondContact O-CG 3.26Å; Y1105-H1197 HydrophobicContact CE1-CB 3.89Å
1106	T	68	Low	78.6	Confident	133 Å²	133	68.6 Å²	68.6	82%	0.816	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.6	176.2	47.8	0	0	0	0	113.8	K1104	K1104-T1106 PolarHBondContact O-N 2.78Å; K1104-T1106 VanDerWaalsContact O-N 3.17Å
1107	T	79.6	Confident	77.6	Confident	53 Å²	53	71.2 Å²	71.2	33%	0.325	38%	0.377	S	S	.	.	S	Bend	trans	-99.7	115.8	174.3	59.5	0	0	0	0	110.3	K1104 Y1105 R1193	K1104-T1107 VanDerWaalsContact CB-OG1 3.27Å; K1104-T1107 WeakPolarHBondContact CB-OG1 3.43Å; K1104-T1107 PolarHBondContact O-N 3.29Å; K1104-T1107 PolarHBondContact O-OG1 3.29Å; Y1105-T1107 VanDerWaalsContact C-N 3.29Å; Y1105-T1107 PolarHBondContact O-N 3.06Å; T1107-R1193 PolarHBondContact O-NH1 3.29Å; T1107-R1193 PolarHBondContact O-NH2 3.49Å
1108	D	84.1	Confident	76.1	Confident	64 Å²	64	68.1 Å²	68.1	34%	0.342	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-67.2	138.3	168.7	-72.5	-35.4	0	0	0	110.3	T1110 N1190 R1194	D1108-T1110 PolarHBondContact O-N 3.26Å; D1108-N1190 HydrophobicContact CB-CB 4.43Å; D1108-N1190 WeakPolarHBondContact OD1-CB 3.39Å; D1108-R1194 IonicContact OD1-CZ 2.67Å; D1108-R1194 IonicContact OD1-NE 3.12Å; D1108-R1194 PolarHBondContact OD1-NE 2.98Å; D1108-R1194 IonicContact OD1-NH1 3.81Å; D1108-R1194 PolarHBondContact OD1-NH1 3.46Å; D1108-R1194 IonicContact OD1-NH2 3.29Å; D1108-R1194 PolarHBondContact OD1-NH2 3.31Å; D1108-R1194 IonicContact OD2-CZ 3.24Å; D1108-R1194 VanDerWaalsContact OD2-CZ 3.27Å; D1108-R1194 IonicContact OD2-NH1 3.38Å; D1108-R1194 PolarHBondContact OD2-NH1 2.91Å; D1108-R1194 IonicContact OD2-NH2 2.7Å; D1108-R1194 PolarHBondContact OD2-NH2 3.45Å
1109	L	86.9	Confident	74.3	Confident	3 Å²	3	68 Å²	68	2%	0.016	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67.6	122.8	171.6	-76.5	153.3	0	0	0	108.8	M1113 F1114 K1145 Y1146 V1148 L1186 N1190	L1109-M1113 HydrophobicContact CD2-CB 4.35Å; L1109-F1114 HydrophobicContact CB-CE2 4.3Å; L1109-F1114 HydrophobicContact CB-CZ 4.32Å; L1109-F1114 HydrophobicContact CD1-CZ 3.96Å; L1109-F1114 HydrophobicContact CD2-CE1 4.28Å; L1109-F1114 HydrophobicContact CD2-CE2 4.29Å; L1109-F1114 HydrophobicContact CD2-CZ 3.94Å; L1109-F1114 HydrophobicContact CG-CZ 4.31Å; L1109-K1145 HydrophobicContact CD2-CB 3.77Å; L1109-K1145 HydrophobicContact CD2-CG 3.78Å; L1109-Y1146 HydrophobicContact CD2-CD2 3.57Å; L1109-Y1146 HydrophobicContact CD2-CE2 4.29Å; L1109-Y1146 HydrophobicContact CD2-CG 4.43Å; L1109-Y1146 HydrophobicContact CG-CD2 4Å; L1109-V1148 HydrophobicContact CD1-CB 3.9Å; L1109-V1148 HydrophobicContact CD1-CG1 4.42Å; L1109-V1148 HydrophobicContact CD1-CG2 3.82Å; L1109-L1186 HydrophobicContact CB-CD1 4.11Å; L1109-L1186 WeakPolarHBondContact O-CD2 3.26Å; L1109-N1190 WeakPolarHBondContact CB-OD1 3.01Å; L1109-N1190 PolarHBondContact N-ND2 3.19Å; L1109-N1190 PolarHBondContact N-OD1 3.38Å; L1109-N1190 PolarHBondContact O-ND2 3.39Å
1110	T	87.7	Confident	72.3	Confident	73 Å²	73	74.1 Å²	74.1	45%	0.448	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-90	161.6	161	71.5	0	0	0	0	109.7	D1108 S1112 M1113	D1108-T1110 PolarHBondContact O-N 3.26Å; T1110-S1112 VanDerWaalsContact C-N 3.27Å; T1110-S1112 PolarHBondContact O-N 2.82Å; T1110-S1112 PolarHBondContact OG1-OG 2.74Å; T1110-S1112 VanDerWaalsContact OG1-OG 3.1Å; T1110-M1113 PolarHBondContact O-N 3.16Å; T1110-M1113 WeakPolarHBondContact OG1-CG 3.48Å
1111	Y	87.3	Confident	69.9	Low	96 Å²	96	80 Å²	80	38%	0.376	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-62	-31.2	-177.7	-176.4	-114.8	0	0	0	113.5	M1113 F1115 L1150 Q1170	Y1111-M1113 VanDerWaalsContact C-N 3.32Å; Y1111-M1113 PolarHBondContact O-N 2.91Å; Y1111-F1115 HydrophobicContact CD1-CE2 4.17Å; Y1111-F1115 HydrophobicContact CD2-CE2 4.4Å; Y1111-F1115 AromaticContact CE1-CE2 3.74Å; Y1111-F1115 HydrophobicContact CE1-CE2 3.74Å; Y1111-F1115 HydrophobicContact CE1-CZ 4.21Å; Y1111-F1115 AromaticContact CE2-CE2 3.98Å; Y1111-F1115 HydrophobicContact CE2-CE2 3.98Å; Y1111-F1115 HydrophobicContact CE2-CZ 4.24Å; Y1111-F1115 HydrophobicContact CG-CE2 4.49Å; Y1111-F1115 AromaticContact CZ-CE2 3.63Å; Y1111-F1115 AromaticContact CZ-CZ 3.77Å; Y1111-F1115 WeakPolarHBondContact O-CD2 3.34Å; Y1111-F1115 WeakPolarHBondContact O-CE2 3.18Å; Y1111-L1150 HydrophobicContact CD2-CD2 4.22Å; Y1111-L1150 HydrophobicContact CE2-CD1 4.25Å; Y1111-L1150 HydrophobicContact CE2-CD2 3.63Å; Y1111-Q1170 PolarHBondContact OH-OE1 3.18Å
1112	S	83.7	Confident	67.8	Low	64 Å²	64	83.6 Å²	83.6	45%	0.448	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-65.4	-32.3	178.3	60.5	0	0	0	0	113.3	T1110 F1114 F1115 D1116	T1110-S1112 VanDerWaalsContact C-N 3.27Å; T1110-S1112 PolarHBondContact O-N 2.82Å; T1110-S1112 PolarHBondContact OG1-OG 2.74Å; T1110-S1112 VanDerWaalsContact OG1-OG 3.1Å; S1112-F1114 PolarHBondContact O-N 3.2Å; S1112-F1115 PolarHBondContact O-N 3Å; S1112-D1116 PolarHBondContact O-N 3.02Å
1113	M	85.4	Confident	65.6	Low	40 Å²	40	90.5 Å²	90.5	20%	0.197	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-63.4	-13.4	-174.5	-61.3	-179	105	0	0	114.5	L1109 T1110 Y1111 D1116 K1145 Y1146	L1109-M1113 HydrophobicContact CD2-CB 4.35Å; T1110-M1113 PolarHBondContact O-N 3.16Å; T1110-M1113 WeakPolarHBondContact OG1-CG 3.48Å; Y1111-M1113 VanDerWaalsContact C-N 3.32Å; Y1111-M1113 PolarHBondContact O-N 2.91Å; M1113-D1116 WeakPolarHBondContact CA-OD2 3.4Å; M1113-K1145 HydrophobicContact CB-CG 4.3Å; M1113-K1145 WeakPolarHBondContact O-CD 3.4Å; M1113-K1145 WeakPolarHBondContact O-CG 3.49Å; M1113-Y1146 HydrophobicContact CE-CE2 3.89Å; M1113-Y1146 HydrophobicContact SD-CE2 4.41Å
1114	F	86.4	Confident	64	Low	11 Å²	11	91.3 Å²	91.3	5%	0.048	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-83.1	-12.6	173.8	-64.8	-77.5	0	0	0	113.7	L1109 S1112 H1143 K1145 V1148 L1150 Y1172 L1186	L1109-F1114 HydrophobicContact CB-CE2 4.3Å; L1109-F1114 HydrophobicContact CB-CZ 4.32Å; L1109-F1114 HydrophobicContact CD1-CZ 3.96Å; L1109-F1114 HydrophobicContact CD2-CE1 4.28Å; L1109-F1114 HydrophobicContact CD2-CE2 4.29Å; L1109-F1114 HydrophobicContact CD2-CZ 3.94Å; L1109-F1114 HydrophobicContact CG-CZ 4.31Å; S1112-F1114 PolarHBondContact O-N 3.2Å; F1114-H1143 HydrophobicContact CB-CB 4.34Å; F1114-H1143 WeakPolarHBondContact CD1-O 3.25Å; F1114-K1145 HydrophobicContact CD1-CB 3.97Å; F1114-K1145 HydrophobicContact CE1-CB 4.1Å; F1114-V1148 HydrophobicContact CE1-CB 4.24Å; F1114-V1148 HydrophobicContact CE1-CG1 3.96Å; F1114-V1148 HydrophobicContact CZ-CB 4.4Å; F1114-V1148 HydrophobicContact CZ-CG1 3.91Å; F1114-L1150 HydrophobicContact CB-CB 4.33Å; F1114-L1150 HydrophobicContact CB-CD2 3.66Å; F1114-L1150 HydrophobicContact CD1-CB 3.76Å; F1114-L1150 HydrophobicContact CD2-CB 4.35Å; F1114-L1150 HydrophobicContact CD2-CD2 4.03Å; F1114-L1150 HydrophobicContact CE1-CB 4.08Å; F1114-L1150 HydrophobicContact CG-CB 3.89Å; F1114-L1150 HydrophobicContact CG-CD2 3.84Å; F1114-L1150 HydrophobicContact CZ-CB 4.48Å; F1114-Y1172 HydrophobicContact CD2-CE1 4.38Å; F1114-Y1172 HydrophobicContact CE2-CD1 4.17Å; F1114-Y1172 AromaticContact CE2-CE1 3.67Å; F1114-Y1172 HydrophobicContact CE2-CE1 3.67Å; F1114-Y1172 AromaticContact CZ-CD1 3.9Å; F1114-Y1172 HydrophobicContact CZ-CD1 3.9Å; F1114-Y1172 AromaticContact CZ-CE1 3.91Å; F1114-Y1172 HydrophobicContact CZ-CE1 3.91Å; F1114-L1186 HydrophobicContact CE2-CD1 4.13Å
1115	F	83.9	Confident	62	Low	86 Å²	86	94.2 Å²	94.2	38%	0.377	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-21.8	179.3	-52.9	-82.3	0	0	0	112.5	Y1111 S1112 S1117 H1143 L1150 L1152	Y1111-F1115 HydrophobicContact CD1-CE2 4.17Å; Y1111-F1115 HydrophobicContact CD2-CE2 4.4Å; Y1111-F1115 AromaticContact CE1-CE2 3.74Å; Y1111-F1115 HydrophobicContact CE1-CE2 3.74Å; Y1111-F1115 HydrophobicContact CE1-CZ 4.21Å; Y1111-F1115 AromaticContact CE2-CE2 3.98Å; Y1111-F1115 HydrophobicContact CE2-CE2 3.98Å; Y1111-F1115 HydrophobicContact CE2-CZ 4.24Å; Y1111-F1115 HydrophobicContact CG-CE2 4.49Å; Y1111-F1115 AromaticContact CZ-CE2 3.63Å; Y1111-F1115 AromaticContact CZ-CZ 3.77Å; Y1111-F1115 WeakPolarHBondContact O-CD2 3.34Å; Y1111-F1115 WeakPolarHBondContact O-CE2 3.18Å; S1112-F1115 PolarHBondContact O-N 3Å; F1115-S1117 PolarHBondContact O-N 3.2Å; F1115-S1117 PolarHBondContact O-OG 2.8Å; F1115-H1143 AromaticContact CE1-CD2 3.98Å; F1115-L1150 HydrophobicContact CE2-CD2 4.12Å; F1115-L1150 HydrophobicContact CZ-CD2 3.91Å; F1115-L1152 HydrophobicContact CE1-CD1 4.26Å; F1115-L1152 HydrophobicContact CE1-CD2 4.17Å; F1115-L1152 HydrophobicContact CZ-CD2 3.82Å
1116	D	72.2	Confident	60.3	Low	76 Å²	76	101.1 Å²	101.1	41%	0.406	53%	0.53	S	S	.	.			trans	-60.5	101	176.7	-67.1	-32.7	0	0	0	112	S1112 M1113 S1118	S1112-D1116 PolarHBondContact O-N 3.02Å; M1113-D1116 WeakPolarHBondContact CA-OD2 3.4Å; D1116-S1118 PolarHBondContact O-N 3.33Å; D1116-S1118 VanDerWaalsContact O-N 3.14Å
1117	S	53.8	Low	58.6	Low	120 Å²	120	102.4 Å²	102.4	84%	0.839	53%	0.525	S	S	*	.			trans	-79.5	15	-177.5	-60.1	0	0	0	0	114	F1115	F1115-S1117 PolarHBondContact O-N 3.2Å; F1115-S1117 PolarHBondContact O-OG 2.8Å
1118	S	40.9	Very low	56.4	Low	96 Å²	96	105.7 Å²	105.7	67%	0.671	55%	0.545	S	S	*	.			trans	-119.7	44.8	-158	47.6	0	0	0	0	115.2	D1116	D1116-S1118 PolarHBondContact O-N 3.33Å; D1116-S1118 VanDerWaalsContact O-N 3.14Å
1119	E	38.6	Very low	54	Low	105 Å²	105	109.8 Å²	109.8	49%	0.491	57%	0.565	S	S	.	*			trans	-133.3	53.3	163.7	-82.4	-171.8	123.1	0	0	110.8	K1104 K1145	K1104-E1119 IonicContact NZ-OE1 3.83Å; K1104-E1119 PolarHBondContact NZ-OE1 3.26Å; K1104-E1119 IonicContact NZ-OE2 3.27Å; E1119-K1145 WeakPolarHBondContact OE2-CE 3.38Å; E1119-K1145 IonicContact OE2-NZ 2.7Å; E1119-K1145 PolarHBondContact OE2-NZ 3.38Å
1120	F	36.3	Very low	51.4	Low	169 Å²	169	116.8 Å²	116.8	74%	0.741	60%	0.602	S	S	*	*			trans	-130.3	17.7	179.8	-113.5	-65.3	0	0	0	116	H1098	H1098-F1120 AromaticContact NE2-CZ 3.84Å
1121	D	28.8	Very low	48.5	Very low	139 Å²	139	125 Å²	125	74%	0.743	63%	0.625	S	S	*	*			trans	-108.4	161.2	166.1	-81.6	-57.1	0	0	0	111.6
1122	N	29.9	Very low	45.8	Very low	155 Å²	155	125.5 Å²	125.5	83%	0.829	63%	0.634	S	S	*	*	S	Bend	trans	71.4	41.3	178	-54.3	-35.7	0	0	0	117.7
1123	N	31.8	Very low	43.3	Very low	146 Å²	146	128 Å²	128	78%	0.781	65%	0.649	S	S	*	*			trans	-150.6	91	147	-120.7	-47.4	0	0	0	112.8	N1125	N1123-N1125 VanDerWaalsContact C-N 3.27Å; N1123-N1125 PolarHBondContact O-N 3.01Å
1124	H	34	Very low	40.7	Very low	153 Å²	153	135.7 Å²	135.7	71%	0.708	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	30.3	-158.8	-148.6	-68.8	0	0	0	115.5
1125	N	33.1	Very low	38.2	Very low	139 Å²	139	139.8 Å²	139.8	74%	0.743	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	11.8	-169.6	-140.8	1	0	0	0	116.2	N1123	N1123-N1125 VanDerWaalsContact C-N 3.27Å; N1123-N1125 PolarHBondContact O-N 3.01Å
1126	Y	33.8	Very low	35.7	Very low	202 Å²	202	146.6 Å²	146.6	79%	0.792	72%	0.724	S	S	*	*	S	Bend	trans	-115.2	3.7	172.4	-76.9	-79.6	0	0	0	114.2	T1128	Y1126-T1128 PolarHBondContact O-N 3.28Å
1127	K	31.7	Very low	33.8	Very low	160 Å²	160	150.3 Å²	150.3	70%	0.696	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	7.2	-172.3	-116.8	173	-172.5	169.7	0	115.3
1128	T	33.4	Very low	33.2	Very low	122 Å²	122	148.9 Å²	148.9	75%	0.748	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-6.6	-169.8	39.8	0	0	0	0	115.7	Y1126	Y1126-T1128 PolarHBondContact O-N 3.28Å
1129	I	34.9	Very low	34	Very low	150 Å²	150	149 Å²	149	77%	0.769	72%	0.72	S	S	*	*	S	Bend	trans	-99.5	-19.4	-179.9	-66.9	178.9	0	0	0	113	R1131	I1129-R1131 PolarHBondContact O-N 3.21Å
1130	L	31.4	Very low	35.2	Very low	151 Å²	151	146.2 Å²	146.2	79%	0.791	71%	0.712	S	S	*	*			trans	-102.9	63.9	177.9	-75.7	169.4	0	0	0	112.9
1131	R	28.3	Very low	37.1	Very low	246 Å²	246	141.7 Å²	141.7	93%	0.928	69%	0.692	S	S	*	*			trans	-97.6	69.7	162.3	-106.8	-167.4	175.8	-160.9	0.2	110.4	I1129	I1129-R1131 PolarHBondContact O-N 3.21Å
1132	N	30.6	Very low	39.4	Very low	106 Å²	106	140.5 Å²	140.5	57%	0.567	68%	0.68	S	S	*	*			trans	-148.9	109.4	168.8	-142.6	-1.1	0	0	0	110.6	Y1134	N1132-Y1134 PolarHBondContact O-N 3.28Å
1133	P	29.4	Very low	42.1	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	20.4	-167.1	33.3	-37.3	0	0	0	115.1
1134	Y	31.5	Very low	44.7	Very low	201 Å²	201	128.8 Å²	128.8	79%	0.788	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-9.9	-174.3	-75.2	-74.2	0	0	0	115.2	N1132 Y1136	N1132-Y1134 PolarHBondContact O-N 3.28Å; Y1134-Y1136 PolarHBondContact O-N 2.7Å
1135	D	33.4	Very low	47.2	Very low	97 Å²	97	123 Å²	123	52%	0.519	59%	0.589	S	S	.	*			trans	-87.2	0.2	-173.1	-100.7	-57.1	0	0	0	115.7	N1137 N1138	D1135-N1137 PolarHBondContact O-N 2.86Å; D1135-N1138 PolarHBondContact OD1-ND2 3.36Å
1136	Y	32.4	Very low	49.7	Very low	230 Å²	230	117.8 Å²	117.8	90%	0.902	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	7.6	-169.5	-119.9	-88.5	0	0	0	116.2	Y1134	Y1134-Y1136 PolarHBondContact O-N 2.7Å
1137	N	31.4	Very low	52.2	Low	153 Å²	153	108.2 Å²	108.2	82%	0.818	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	6.2	-175.8	-87	-36.5	0	0	0	115.1	D1135 N1139	D1135-N1137 PolarHBondContact O-N 2.86Å; N1137-N1139 PolarHBondContact O-N 3.22Å
1138	N	41.4	Very low	54.9	Low	91 Å²	91	100.6 Å²	100.6	49%	0.487	49%	0.489	S	S	.	.			trans	-77.8	81	177.7	-83.4	-53.3	0	0	0	112.8	D1135 S1140 F1141	D1135-N1138 PolarHBondContact OD1-ND2 3.36Å; N1138-S1140 PolarHBondContact O-N 3.02Å; N1138-F1141 HydrophobicContact CB-CD2 4.39Å
1139	N	57.5	Low	57.7	Low	97 Å²	97	95.3 Å²	95.3	52%	0.519	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-54	-18.7	172.2	-105.4	5.1	0	0	0	113.9	N1137 F1141 K1142	N1137-N1139 PolarHBondContact O-N 3.22Å; N1139-F1141 PolarHBondContact O-N 3Å; N1139-K1142 PolarHBondContact O-N 3.29Å; N1139-K1142 WeakPolarHBondContact OD1-CD 3.05Å; N1139-K1142 VanDerWaalsContact OD1-CE 3.24Å; N1139-K1142 WeakPolarHBondContact OD1-CE 3.31Å; N1139-K1142 PolarHBondContact OD1-NZ 2.92Å
1140	S	64.9	Low	60.4	Low	48 Å²	48	88.1 Å²	88.1	34%	0.336	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.7	-176.7	50	0	0	0	0	114.9	N1138 K1149	N1138-S1140 PolarHBondContact O-N 3.02Å; S1140-K1149 PolarHBondContact O-NZ 3.24Å
1141	F	75.1	Confident	63.1	Low	73 Å²	73	81.3 Å²	81.3	32%	0.32	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-105.2	8.1	-176.4	-55.5	-59.4	0	0	0	115	I1093 P1095 N1138 N1139 I1144	I1093-F1141 HydrophobicContact CG2-CD1 3.8Å; I1093-F1141 HydrophobicContact CG2-CE1 3.55Å; P1095-F1141 HydrophobicContact CB-CD1 3.74Å; P1095-F1141 HydrophobicContact CB-CE1 3.89Å; N1138-F1141 HydrophobicContact CB-CD2 4.39Å; N1139-F1141 PolarHBondContact O-N 3Å; F1141-I1144 HydrophobicContact CB-CD1 4.19Å; F1141-I1144 HydrophobicContact CD1-CD1 4.17Å; F1141-I1144 WeakPolarHBondContact O-CG1 3.3Å
1142	K	77.7	Confident	66	Low	114 Å²	114	71.7 Å²	71.7	50%	0.496	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	158.3	170.6	-71.4	-178.6	176	170.1	0	111.4	N1139 I1144 K1149	N1139-K1142 PolarHBondContact O-N 3.29Å; N1139-K1142 WeakPolarHBondContact OD1-CD 3.05Å; N1139-K1142 VanDerWaalsContact OD1-CE 3.24Å; N1139-K1142 WeakPolarHBondContact OD1-CE 3.31Å; N1139-K1142 PolarHBondContact OD1-NZ 2.92Å; K1142-I1144 VanDerWaalsContact C-N 3.32Å; K1142-I1144 PolarHBondContact O-N 3.3Å; K1142-K1149 WeakPolarHBondContact O-CE 3.09Å
1143	H	85.9	Confident	68.4	Low	36 Å²	36	71.9 Å²	71.9	17%	0.167	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	39.5	179	-39.1	127.7	0	0	0	113.7	F1114 F1115 K1149 L1150 L1152 E1155	F1114-H1143 HydrophobicContact CB-CB 4.34Å; F1114-H1143 WeakPolarHBondContact CD1-O 3.25Å; F1115-H1143 AromaticContact CE1-CD2 3.98Å; H1143-K1149 WeakPolarHBondContact O-CA 3.32Å; H1143-L1150 HydrophobicContact CB-CB 3.95Å; H1143-L1150 HydrophobicContact CB-CD2 4.41Å; H1143-L1150 HydrophobicContact CB-CG 4.32Å; H1143-L1150 PolarHBondContact O-N 3.44Å; H1143-L1152 VanDerWaalsContact CE1-CD1 3.46Å; H1143-L1152 WeakPolarHBondContact CE1-CD1 3.48Å; H1143-E1155 IonicContact CE1-OE1 2.71Å; H1143-E1155 IonicContact ND1-OE1 3.16Å; H1143-E1155 IonicContact ND1-OE2 3.07Å
1144	I	87	Confident	70.3	Confident	20 Å²	20	68.4 Å²	68.4	10%	0.103	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.6	173.1	-55.6	-175.9	0	0	0	110.2	P1095 L1099 F1141 K1142 V1148 K1149 V1175	P1095-I1144 HydrophobicContact CB-CD1 4.12Å; P1095-I1144 HydrophobicContact CG-CD1 4.43Å; L1099-I1144 HydrophobicContact CB-CG2 4.06Å; L1099-I1144 HydrophobicContact CD1-CB 4.49Å; L1099-I1144 HydrophobicContact CD1-CD1 4.48Å; F1141-I1144 HydrophobicContact CB-CD1 4.19Å; F1141-I1144 HydrophobicContact CD1-CD1 4.17Å; F1141-I1144 WeakPolarHBondContact O-CG1 3.3Å; K1142-I1144 VanDerWaalsContact C-N 3.32Å; K1142-I1144 PolarHBondContact O-N 3.3Å; I1144-V1148 CarbonylContact C-O 3.5Å; I1144-V1148 VanDerWaalsContact CA-O 3.31Å; I1144-V1148 WeakPolarHBondContact CA-O 3.33Å; I1144-K1149 HydrophobicContact CD1-CB 4.45Å; I1144-K1149 HydrophobicContact CD1-CD 4.35Å; I1144-K1149 HydrophobicContact CG1-CB 3.9Å; I1144-K1149 HydrophobicContact CG1-CD 4.14Å; I1144-K1149 HydrophobicContact CG1-CG 3.9Å; I1144-V1175 HydrophobicContact CG2-CG2 4.5Å
1145	K	85.7	Confident	72.6	Confident	31 Å²	31	61.4 Å²	61.4	14%	0.135	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	137.4	177.4	-160.9	77.7	175.2	-171.2	0	110.2	L1109 M1113 F1114 E1119 A1147 V1148	L1109-K1145 HydrophobicContact CD2-CB 3.77Å; L1109-K1145 HydrophobicContact CD2-CG 3.78Å; M1113-K1145 HydrophobicContact CB-CG 4.3Å; M1113-K1145 WeakPolarHBondContact O-CD 3.4Å; M1113-K1145 WeakPolarHBondContact O-CG 3.49Å; F1114-K1145 HydrophobicContact CD1-CB 3.97Å; F1114-K1145 HydrophobicContact CE1-CB 4.1Å; E1119-K1145 WeakPolarHBondContact OE2-CE 3.38Å; E1119-K1145 IonicContact OE2-NZ 2.7Å; E1119-K1145 PolarHBondContact OE2-NZ 3.38Å; K1145-A1147 VanDerWaalsContact C-N 3.29Å; K1145-A1147 PolarHBondContact O-N 3.49Å; K1145-V1148 PolarHBondContact N-O 3.12Å; K1145-V1148 PolarHBondContact O-N 3.06Å
1146	Y	85.8	Confident	74.7	Confident	29 Å²	29	62.1 Å²	62.1	11%	0.114	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.3	50	-178.1	-54.8	-50.4	0	0	0	114.4	K1104 L1109 M1113 V1148	K1104-Y1146 HydrophobicContact CB-CE1 4.19Å; K1104-Y1146 HydrophobicContact CD-CE1 3.85Å; K1104-Y1146 WeakPolarHBondContact CD-OH 3.44Å; K1104-Y1146 HydrophobicContact CG-CE1 4.09Å; K1104-Y1146 PolarHBondContact NZ-OH 3.34Å; L1109-Y1146 HydrophobicContact CD2-CD2 3.57Å; L1109-Y1146 HydrophobicContact CD2-CE2 4.29Å; L1109-Y1146 HydrophobicContact CD2-CG 4.43Å; L1109-Y1146 HydrophobicContact CG-CD2 4Å; M1113-Y1146 HydrophobicContact CE-CE2 3.89Å; M1113-Y1146 HydrophobicContact SD-CE2 4.41Å; Y1146-V1148 PolarHBondContact O-N 3.07Å
1147	A	86	Confident	77.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	26	-177.2	0	0	0	0	0	116.3	L1099 C1100 D1102 K1145 V1175 K1176	L1099-A1147 VanDerWaalsContact O-CA 3.31Å; L1099-A1147 WeakPolarHBondContact O-CA 3.37Å; L1099-A1147 PolarHBondContact O-N 3.31Å; C1100-A1147 WeakPolarHBondContact O-CB 3.49Å; D1102-A1147 HydrophobicContact CB-CB 4.43Å; K1145-A1147 VanDerWaalsContact C-N 3.29Å; K1145-A1147 PolarHBondContact O-N 3.49Å; A1147-V1175 PolarHBondContact O-N 3.24Å; A1147-K1176 HydrophobicContact CB-CD 4.35Å; A1147-K1176 HydrophobicContact CB-CG 3.5Å
1148	V	89.5	Confident	79.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.6	167.6	174.7	0	0	0	0	108.9	L1109 F1114 I1144 K1145 Y1146 Y1172 H1173 I1189 R1193	L1109-V1148 HydrophobicContact CD1-CB 3.9Å; L1109-V1148 HydrophobicContact CD1-CG1 4.42Å; L1109-V1148 HydrophobicContact CD1-CG2 3.82Å; F1114-V1148 HydrophobicContact CE1-CB 4.24Å; F1114-V1148 HydrophobicContact CE1-CG1 3.96Å; F1114-V1148 HydrophobicContact CZ-CB 4.4Å; F1114-V1148 HydrophobicContact CZ-CG1 3.91Å; I1144-V1148 CarbonylContact C-O 3.5Å; I1144-V1148 VanDerWaalsContact CA-O 3.31Å; I1144-V1148 WeakPolarHBondContact CA-O 3.33Å; K1145-V1148 PolarHBondContact N-O 3.12Å; K1145-V1148 PolarHBondContact O-N 3.06Å; Y1146-V1148 PolarHBondContact O-N 3.07Å; V1148-Y1172 HydrophobicContact CG1-CD1 4.15Å; V1148-Y1172 HydrophobicContact CG1-CG 4.49Å; V1148-H1173 CarbonylContact C-O 2.87Å; V1148-H1173 WeakPolarHBondContact CA-O 3.42Å; V1148-I1189 HydrophobicContact CB-CG1 4.39Å; V1148-I1189 HydrophobicContact CG1-CG1 3.85Å; V1148-I1189 HydrophobicContact CG1-CG2 4.32Å; V1148-I1189 HydrophobicContact CG2-CD1 4.37Å; V1148-I1189 HydrophobicContact CG2-CG1 3.56Å; V1148-R1193 HydrophobicContact CG2-CG 4.04Å
1149	K	91.3	Very high	81.6	Confident	10 Å²	10	42.4 Å²	42.4	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129	167.3	-179	171	177.6	-174.8	0	109.9	I1093 S1140 K1142 H1143 I1144 Y1151 Y1172 H1173 V1175	I1093-K1149 HydrophobicContact CD1-CD 3.99Å; S1140-K1149 PolarHBondContact O-NZ 3.24Å; K1142-K1149 WeakPolarHBondContact O-CE 3.09Å; H1143-K1149 WeakPolarHBondContact O-CA 3.32Å; I1144-K1149 HydrophobicContact CD1-CB 4.45Å; I1144-K1149 HydrophobicContact CD1-CD 4.35Å; I1144-K1149 HydrophobicContact CG1-CB 3.9Å; I1144-K1149 HydrophobicContact CG1-CD 4.14Å; I1144-K1149 HydrophobicContact CG1-CG 3.9Å; K1149-Y1151 HydrophobicContact CB-CE2 4.42Å; K1149-Y1151 HydrophobicContact CD-CD2 4.47Å; K1149-Y1151 HydrophobicContact CD-CE1 4.17Å; K1149-Y1151 HydrophobicContact CD-CE2 3.91Å; K1149-Y1151 HydrophobicContact CG-CD2 4.32Å; K1149-Y1151 HydrophobicContact CG-CE2 4.04Å; K1149-Y1172 CarbonylContact O-C 3.33Å; K1149-Y1172 VanDerWaalsContact O-CA 3.28Å; K1149-Y1172 WeakPolarHBondContact O-CA 3.26Å; K1149-H1173 PolarHBondContact N-O 2.92Å; K1149-H1173 PolarHBondContact O-N 3.17Å; K1149-V1175 HydrophobicContact CB-CG2 3.66Å; K1149-V1175 VanDerWaalsContact N-CG2 3.26Å
1150	L	91.9	Very high	82.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.3	162.6	166.2	65.3	0	0	0	109.9	Y1111 F1114 F1115 H1143 L1152 Q1170 Y1172	Y1111-L1150 HydrophobicContact CD2-CD2 4.22Å; Y1111-L1150 HydrophobicContact CE2-CD1 4.25Å; Y1111-L1150 HydrophobicContact CE2-CD2 3.63Å; F1114-L1150 HydrophobicContact CB-CB 4.33Å; F1114-L1150 HydrophobicContact CB-CD2 3.66Å; F1114-L1150 HydrophobicContact CD1-CB 3.76Å; F1114-L1150 HydrophobicContact CD2-CB 4.35Å; F1114-L1150 HydrophobicContact CD2-CD2 4.03Å; F1114-L1150 HydrophobicContact CE1-CB 4.08Å; F1114-L1150 HydrophobicContact CG-CB 3.89Å; F1114-L1150 HydrophobicContact CG-CD2 3.84Å; F1114-L1150 HydrophobicContact CZ-CB 4.48Å; F1115-L1150 HydrophobicContact CE2-CD2 4.12Å; F1115-L1150 HydrophobicContact CZ-CD2 3.91Å; H1143-L1150 HydrophobicContact CB-CB 3.95Å; H1143-L1150 HydrophobicContact CB-CD2 4.41Å; H1143-L1150 HydrophobicContact CB-CG 4.32Å; H1143-L1150 PolarHBondContact O-N 3.44Å; L1150-L1152 HydrophobicContact CD1-CD2 4.22Å; L1150-L1152 HydrophobicContact CD2-CD2 3.67Å; L1150-L1152 HydrophobicContact CG-CD2 3.83Å; L1150-Q1170 HydrophobicContact CD1-CG 3.56Å; L1150-Y1172 HydrophobicContact CB-CD1 4.1Å; L1150-Y1172 HydrophobicContact CB-CE1 4.15Å; L1150-Y1172 HydrophobicContact CD1-CD1 4.07Å; L1150-Y1172 HydrophobicContact CD1-CE1 3.65Å; L1150-Y1172 HydrophobicContact CG-CE1 4.37Å
1151	Y	89.3	Confident	83.6	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.4	162.9	-65.2	-98.3	0	0	0	108	I1093 K1149 E1155 C1157 P1158 Q1170 H1171 H1173	I1093-Y1151 WeakPolarHBondContact CD1-OH 3.29Å; K1149-Y1151 HydrophobicContact CB-CE2 4.42Å; K1149-Y1151 HydrophobicContact CD-CD2 4.47Å; K1149-Y1151 HydrophobicContact CD-CE1 4.17Å; K1149-Y1151 HydrophobicContact CD-CE2 3.91Å; K1149-Y1151 HydrophobicContact CG-CD2 4.32Å; K1149-Y1151 HydrophobicContact CG-CE2 4.04Å; Y1151-E1155 WeakPolarHBondContact CA-OE2 3.46Å; Y1151-E1155 HydrophobicContact CD1-CB 4.43Å; Y1151-C1157 HydrophobicContact CE1-CB 4.47Å; Y1151-P1158 WeakPolarHBondContact OH-CD 3.47Å; Y1151-Q1170 WeakPolarHBondContact O-CA 3.39Å; Y1151-H1171 AromaticContact CD2-NE2 3.88Å; Y1151-H1171 PolarHBondContact N-O 3.23Å; Y1151-H1171 PolarHBondContact O-N 3.34Å; Y1151-H1171 VanDerWaalsContact O-N 3.1Å; Y1151-H1173 AromaticContact CD2-CD2 3.86Å; Y1151-H1173 HydrophobicContact CE2-CB 4.09Å; Y1151-H1173 AromaticContact CE2-CD2 3.47Å; Y1151-H1173 VanDerWaalsContact CE2-CD2 3.47Å; Y1151-H1173 WeakPolarHBondContact CE2-CD2 3.48Å; Y1151-H1173 AromaticContact CE2-CG 3.88Å
1152	L	87.7	Confident	84.2	Confident	44 Å²	44	39.6 Å²	39.6	23%	0.23	21%	0.214	C	C	.	.			trans	-80.9	161.8	177.1	-54.3	-178.4	0	0	0	111.5	F1115 H1143 L1150 G1154 E1155	F1115-L1152 HydrophobicContact CE1-CD1 4.26Å; F1115-L1152 HydrophobicContact CE1-CD2 4.17Å; F1115-L1152 HydrophobicContact CZ-CD2 3.82Å; H1143-L1152 VanDerWaalsContact CE1-CD1 3.46Å; H1143-L1152 WeakPolarHBondContact CE1-CD1 3.48Å; L1150-L1152 HydrophobicContact CD1-CD2 4.22Å; L1150-L1152 HydrophobicContact CD2-CD2 3.67Å; L1150-L1152 HydrophobicContact CG-CD2 3.83Å; L1152-G1154 PolarHBondContact O-N 3.25Å; L1152-G1154 VanDerWaalsContact O-N 3.13Å; L1152-E1155 HydrophobicContact CB-CG 4.09Å; L1152-E1155 PolarHBondContact N-OE2 3.12Å; L1152-E1155 WeakPolarHBondContact O-CB 3.37Å; L1152-E1155 PolarHBondContact O-N 3.08Å
1153	T	81.3	Confident	84.4	Confident	110 Å²	110	36.8 Å²	36.8	68%	0.675	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	118.2	176	-55.1	0	0	0	0	110.9	Q1168	T1153-Q1168 VanDerWaalsContact CA-O 3.32Å; T1153-Q1168 WeakPolarHBondContact CA-O 3.29Å
1154	G	69.3	Low	84.4	Confident	43 Å²	43	36.6 Å²	36.6	44%	0.443	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-5.1	-175.3	0	0	0	0	0	116.3	L1152 Q1168	L1152-G1154 PolarHBondContact O-N 3.25Å; L1152-G1154 VanDerWaalsContact O-N 3.13Å; G1154-Q1168 PolarHBondContact N-O 2.93Å; G1154-Q1168 VanDerWaalsContact N-O 3.12Å
1155	E	79.8	Confident	84.2	Confident	55 Å²	55	38.4 Å²	38.4	26%	0.257	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-75.9	129.6	166.5	-69.2	-170.4	137.3	0	0	110.5	H1143 Y1151 L1152 C1157	H1143-E1155 IonicContact CE1-OE1 2.71Å; H1143-E1155 IonicContact ND1-OE1 3.16Å; H1143-E1155 IonicContact ND1-OE2 3.07Å; Y1151-E1155 WeakPolarHBondContact CA-OE2 3.46Å; Y1151-E1155 HydrophobicContact CD1-CB 4.43Å; L1152-E1155 HydrophobicContact CB-CG 4.09Å; L1152-E1155 PolarHBondContact N-OE2 3.12Å; L1152-E1155 WeakPolarHBondContact O-CB 3.37Å; L1152-E1155 PolarHBondContact O-N 3.08Å; E1155-C1157 PolarHBondContact O-N 3.1Å
1156	I	78.9	Confident	83.7	Confident	112 Å²	112	40.3 Å²	40.3	57%	0.574	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-80.5	118.4	-175.7	-57.2	177.9	0	0	0	110.1	Y1165	I1156-Y1165 HydrophobicContact CG2-CD2 4.33Å; I1156-Y1165 HydrophobicContact CG2-CE2 3.58Å
1157	C	85.4	Confident	83.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.014	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-67.7	137.6	171.9	-178.7	0	0	0	0	110.9	Y1151 E1155 D1159 Y1165 H1171 H1173	Y1151-C1157 HydrophobicContact CE1-CB 4.47Å; E1155-C1157 PolarHBondContact O-N 3.1Å; C1157-D1159 VanDerWaalsContact C-N 3.28Å; C1157-D1159 PolarHBondContact O-N 3.45Å; C1157-Y1165 HydrophobicContact CB-CD2 4.25Å; C1157-Y1165 WeakPolarHBondContact O-CD2 3.15Å; C1157-Y1165 VanDerWaalsContact O-CE2 3.26Å; C1157-Y1165 WeakPolarHBondContact O-CE2 3.3Å; C1157-H1171 WeakPolarHBondContact CB-NE2 3.48Å; C1157-H1173 PolarHBondContact SG-NE2 3.49Å
1158	P	80.7	Confident	82.9	Confident	56 Å²	56	47.1 Å²	47.1	36%	0.364	26%	0.26	S	S	.	.	S	Bend	trans	-72	-17.2	179.4	29.7	-36.6	0	0	0	113.9	P1091 I1093 Y1151	P1091-P1158 HydrophobicContact CB-CB 4.26Å; P1091-P1158 WeakPolarHBondContact CB-O 3.41Å; P1091-P1158 WeakPolarHBondContact CG-O 3.46Å; I1093-P1158 HydrophobicContact CD1-CG 4.12Å; I1093-P1158 HydrophobicContact CG1-CG 3.88Å; Y1151-P1158 WeakPolarHBondContact OH-CD 3.47Å
1159	D	84.1	Confident	82.5	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.011	28%	0.28	C	S	.	.			trans	-93.3	100	171.2	-176.8	19.5	0	0	0	110.8	C1157 N1161 C1162 R1216	C1157-D1159 VanDerWaalsContact C-N 3.28Å; C1157-D1159 PolarHBondContact O-N 3.45Å; D1159-N1161 PolarHBondContact O-N 3.07Å; D1159-N1161 WeakPolarHBondContact OD1-CB 3.49Å; D1159-N1161 PolarHBondContact OD1-N 3.07Å; D1159-C1162 HydrophobicContact CB-CB 4.13Å; D1159-C1162 WeakPolarHBondContact O-CB 3.47Å; D1159-C1162 PolarHBondContact O-N 2.91Å; D1159-C1162 PolarHBondContact OD2-N 2.94Å; D1159-R1216 IonicContact OD1-CZ 3.54Å; D1159-R1216 IonicContact OD1-NE 2.69Å; D1159-R1216 IonicContact OD1-NH2 3.41Å; D1159-R1216 PolarHBondContact OD1-NH2 3.47Å
1160	I	81.2	Confident	82.4	Confident	91 Å²	91	53.7 Å²	53.7	47%	0.467	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.3	173.3	-58.3	172	0	0	0	112.4	Y1165	I1160-Y1165 HydrophobicContact CB-CE1 4.36Å; I1160-Y1165 HydrophobicContact CB-CE2 4.45Å; I1160-Y1165 HydrophobicContact CG1-CE1 4.38Å; I1160-Y1165 HydrophobicContact CG1-CE2 3.96Å; I1160-Y1165 HydrophobicContact CG2-CD1 4.18Å; I1160-Y1165 HydrophobicContact CG2-CE1 3.9Å
1161	N	82.6	Confident	82.5	Confident	64 Å²	64	53.8 Å²	53.8	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	4.1	178.1	-69.7	-48.1	0	0	0	114.3	D1159 N1214 R1216 K1224	D1159-N1161 PolarHBondContact O-N 3.07Å; D1159-N1161 WeakPolarHBondContact OD1-CB 3.49Å; D1159-N1161 PolarHBondContact OD1-N 3.07Å; N1161-N1214 HydrophobicContact CB-CB 3.94Å; N1161-R1216 PolarHBondContact ND2-NE 3.35Å; N1161-R1216 PolarHBondContact ND2-NH2 2.9Å; N1161-K1224 PolarHBondContact O-NZ 3.07Å
1162	C	86.9	Confident	82.7	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.027	29%	0.291	C	S	.	.	S	Bend	trans	-66.4	136.9	170.6	-178.6	0	0	0	0	109.7	D1159 Y1164 Y1165 H1173	D1159-C1162 HydrophobicContact CB-CB 4.13Å; D1159-C1162 WeakPolarHBondContact O-CB 3.47Å; D1159-C1162 PolarHBondContact O-N 2.91Å; D1159-C1162 PolarHBondContact OD2-N 2.94Å; C1162-Y1164 PolarHBondContact O-N 2.9Å; C1162-Y1164 VanDerWaalsContact O-N 3.13Å; C1162-Y1165 WeakPolarHBondContact O-CB 3.43Å; C1162-Y1165 PolarHBondContact O-N 2.91Å; C1162-Y1165 VanDerWaalsContact O-N 3.13Å; C1162-H1173 PolarHBondContact SG-NE2 3.05Å; C1162-H1173 VanDerWaalsContact SG-NE2 3.38Å
1163	P	81.7	Confident	82.9	Confident	54 Å²	54	52.6 Å²	52.6	35%	0.351	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.6	179.4	-28.1	36	0	0	0	114	S1212	P1163-S1212 WeakPolarHBondContact CD-O 3.2Å; P1163-S1212 VanDerWaalsContact CG-O 3.29Å; P1163-S1212 WeakPolarHBondContact CG-O 3.48Å
1164	Y	86.1	Confident	83.4	Confident	33 Å²	33	47.6 Å²	47.6	13%	0.129	25%	0.254	C	S	.	.	H	α-helix	trans	-88.5	-4.6	-173.8	-47.8	-70.7	0	0	0	113.9	C1162 I1166 T1167 Q1168 H1171 N1184	C1162-Y1164 PolarHBondContact O-N 2.9Å; C1162-Y1164 VanDerWaalsContact O-N 3.13Å; Y1164-I1166 VanDerWaalsContact C-N 3.25Å; Y1164-I1166 PolarHBondContact O-N 3.45Å; Y1164-T1167 WeakPolarHBondContact CA-OG1 3.33Å; Y1164-T1167 PolarHBondContact O-OG1 2.92Å; Y1164-Q1168 PolarHBondContact O-N 2.71Å; Y1164-H1171 VanDerWaalsContact CB-CG 3.47Å; Y1164-H1171 WeakPolarHBondContact CB-ND1 3.49Å; Y1164-H1171 HydrophobicContact CD1-CB 4.35Å; Y1164-H1171 HydrophobicContact CD2-CB 3.56Å; Y1164-H1171 AromaticContact CD2-CD2 3.8Å; Y1164-H1171 AromaticContact CD2-CG 3.76Å; Y1164-H1171 HydrophobicContact CE2-CB 4.2Å; Y1164-H1171 HydrophobicContact CG-CB 3.65Å; Y1164-H1171 AromaticContact CG-CG 3.77Å; Y1164-N1184 HydrophobicContact CD1-CB 4.06Å; Y1164-N1184 HydrophobicContact CE1-CB 3.51Å; Y1164-N1184 VanDerWaalsContact CZ-N 3.33Å; Y1164-N1184 PolarHBondContact OH-N 3.16Å; Y1164-N1184 VanDerWaalsContact OH-N 3.09Å; Y1164-N1184 PolarHBondContact OH-OD1 2.88Å
1165	Y	82.9	Confident	84.3	Confident	57 Å²	57	45.8 Å²	45.8	22%	0.224	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-37	179.4	178	-93.7	0	0	0	112.4	I1156 C1157 I1160 C1162	I1156-Y1165 HydrophobicContact CG2-CD2 4.33Å; I1156-Y1165 HydrophobicContact CG2-CE2 3.58Å; C1157-Y1165 HydrophobicContact CB-CD2 4.25Å; C1157-Y1165 WeakPolarHBondContact O-CD2 3.15Å; C1157-Y1165 VanDerWaalsContact O-CE2 3.26Å; C1157-Y1165 WeakPolarHBondContact O-CE2 3.3Å; I1160-Y1165 HydrophobicContact CB-CE1 4.36Å; I1160-Y1165 HydrophobicContact CB-CE2 4.45Å; I1160-Y1165 HydrophobicContact CG1-CE1 4.38Å; I1160-Y1165 HydrophobicContact CG1-CE2 3.96Å; I1160-Y1165 HydrophobicContact CG2-CD1 4.18Å; I1160-Y1165 HydrophobicContact CG2-CE1 3.9Å; C1162-Y1165 WeakPolarHBondContact O-CB 3.43Å; C1162-Y1165 PolarHBondContact O-N 2.91Å; C1162-Y1165 VanDerWaalsContact O-N 3.13Å
1166	I	75.8	Confident	84.6	Confident	72 Å²	72	44.6 Å²	44.6	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-96	-30.4	-174.3	-41.1	171.3	0	0	0	112.1	H1049 Y1164 Q1168	H1049-I1166 VanDerWaalsContact NE2-CG2 3.32Å; H1049-I1166 WeakPolarHBondContact NE2-CG2 3.29Å; Y1164-I1166 VanDerWaalsContact C-N 3.25Å; Y1164-I1166 PolarHBondContact O-N 3.45Å; I1166-Q1168 VanDerWaalsContact C-N 3.26Å
1167	T	77.8	Confident	84.8	Confident	74 Å²	74	42.1 Å²	42.1	45%	0.454	22%	0.22	S	C	.	.	H	α-helix	trans	-71.6	-25	172.1	64	0	0	0	0	111.9	Y1164 E1169	Y1164-T1167 WeakPolarHBondContact CA-OG1 3.33Å; Y1164-T1167 PolarHBondContact O-OG1 2.92Å; T1167-E1169 WeakPolarHBondContact CB-OE2 3.32Å; T1167-E1169 PolarHBondContact O-N 3.35Å; T1167-E1169 VanDerWaalsContact OG1-CD 3.29Å; T1167-E1169 WeakPolarHBondContact OG1-CG 3.4Å; T1167-E1169 PolarHBondContact OG1-N 2.94Å; T1167-E1169 PolarHBondContact OG1-OE2 3.3Å
1168	Q	76	Confident	84.8	Confident	99 Å²	99	45.6 Å²	45.6	46%	0.463	23%	0.232	S	C	.	.			trans	57	21.9	-174.3	-56.7	-168.6	-22.6	0	0	113.5	T1153 G1154 Y1164 I1166	T1153-Q1168 VanDerWaalsContact CA-O 3.32Å; T1153-Q1168 WeakPolarHBondContact CA-O 3.29Å; G1154-Q1168 PolarHBondContact N-O 2.93Å; G1154-Q1168 VanDerWaalsContact N-O 3.12Å; Y1164-Q1168 PolarHBondContact O-N 2.71Å; I1166-Q1168 VanDerWaalsContact C-N 3.26Å
1169	E	82.4	Confident	85.3	Confident	89 Å²	89	42.9 Å²	42.9	42%	0.416	22%	0.215	S	C	.	.			trans	-69.6	154.7	175.2	-69.3	162.9	144.3	0	0	111.4	T1167 H1171	T1167-E1169 WeakPolarHBondContact CB-OE2 3.32Å; T1167-E1169 PolarHBondContact O-N 3.35Å; T1167-E1169 VanDerWaalsContact OG1-CD 3.29Å; T1167-E1169 WeakPolarHBondContact OG1-CG 3.4Å; T1167-E1169 PolarHBondContact OG1-N 2.94Å; T1167-E1169 PolarHBondContact OG1-OE2 3.3Å; E1169-H1171 PolarHBondContact O-N 3.15Å; E1169-H1171 PolarHBondContact O-ND1 3.35Å
1170	Q	89.2	Confident	85.6	Confident	59 Å²	59	43.7 Å²	43.7	28%	0.276	22%	0.218	S	C	.	.			trans	-55	127	168.3	-174.7	-174.9	-48.7	0	0	111	Y1111 L1150 Y1151 Y1172 N1184	Y1111-Q1170 PolarHBondContact OH-OE1 3.18Å; L1150-Q1170 HydrophobicContact CD1-CG 3.56Å; Y1151-Q1170 WeakPolarHBondContact O-CA 3.39Å; Q1170-Y1172 PolarHBondContact NE2-OH 3.11Å; Q1170-Y1172 VanDerWaalsContact NE2-OH 3.17Å; Q1170-N1184 WeakPolarHBondContact O-CB 3.47Å
1171	H	93.1	Very high	86	Confident	2 Å²	2	40 Å²	40	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.5	179.1	63.3	-73.7	0	0	0	113.8	Y1151 C1157 Y1164 E1169 H1173 N1184	Y1151-H1171 AromaticContact CD2-NE2 3.88Å; Y1151-H1171 PolarHBondContact N-O 3.23Å; Y1151-H1171 PolarHBondContact O-N 3.34Å; Y1151-H1171 VanDerWaalsContact O-N 3.1Å; C1157-H1171 WeakPolarHBondContact CB-NE2 3.48Å; Y1164-H1171 VanDerWaalsContact CB-CG 3.47Å; Y1164-H1171 WeakPolarHBondContact CB-ND1 3.49Å; Y1164-H1171 HydrophobicContact CD1-CB 4.35Å; Y1164-H1171 HydrophobicContact CD2-CB 3.56Å; Y1164-H1171 AromaticContact CD2-CD2 3.8Å; Y1164-H1171 AromaticContact CD2-CG 3.76Å; Y1164-H1171 HydrophobicContact CE2-CB 4.2Å; Y1164-H1171 HydrophobicContact CG-CB 3.65Å; Y1164-H1171 AromaticContact CG-CG 3.77Å; E1169-H1171 PolarHBondContact O-N 3.15Å; E1169-H1171 PolarHBondContact O-ND1 3.35Å; H1171-H1173 AromaticContact CD2-CD2 3.49Å; H1171-H1173 PolarHBondContact CD2-CD2 3.23Å; H1171-H1173 VanDerWaalsContact CD2-CD2 3.49Å; H1171-H1173 AromaticContact CD2-NE2 3.47Å; H1171-H1173 PolarHBondContact CD2-NE2 3.1Å; H1171-H1173 AromaticContact NE2-CD2 3.85Å; H1171-H1173 AromaticContact NE2-NE2 3.58Å; H1171-N1184 HydrophobicContact CB-CB 4.37Å
1172	Y	93.5	Very high	86.4	Confident	7 Å²	7	37 Å²	37	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.1	-178.7	-50.8	-84	0	0	0	110.3	F1114 V1148 K1149 L1150 Q1170 A1182 T1183 N1184 L1186 I1189	F1114-Y1172 HydrophobicContact CD2-CE1 4.38Å; F1114-Y1172 HydrophobicContact CE2-CD1 4.17Å; F1114-Y1172 AromaticContact CE2-CE1 3.67Å; F1114-Y1172 HydrophobicContact CE2-CE1 3.67Å; F1114-Y1172 AromaticContact CZ-CD1 3.9Å; F1114-Y1172 HydrophobicContact CZ-CD1 3.9Å; F1114-Y1172 AromaticContact CZ-CE1 3.91Å; F1114-Y1172 HydrophobicContact CZ-CE1 3.91Å; V1148-Y1172 HydrophobicContact CG1-CD1 4.15Å; V1148-Y1172 HydrophobicContact CG1-CG 4.49Å; K1149-Y1172 CarbonylContact O-C 3.33Å; K1149-Y1172 VanDerWaalsContact O-CA 3.28Å; K1149-Y1172 WeakPolarHBondContact O-CA 3.26Å; L1150-Y1172 HydrophobicContact CB-CD1 4.1Å; L1150-Y1172 HydrophobicContact CB-CE1 4.15Å; L1150-Y1172 HydrophobicContact CD1-CD1 4.07Å; L1150-Y1172 HydrophobicContact CD1-CE1 3.65Å; L1150-Y1172 HydrophobicContact CG-CE1 4.37Å; Q1170-Y1172 PolarHBondContact NE2-OH 3.11Å; Q1170-Y1172 VanDerWaalsContact NE2-OH 3.17Å; Y1172-A1182 VanDerWaalsContact O-CA 3.27Å; Y1172-A1182 WeakPolarHBondContact O-CA 3.49Å; Y1172-T1183 WeakPolarHBondContact CD2-O 3.32Å; Y1172-T1183 PolarHBondContact N-O 2.72Å; Y1172-T1183 PolarHBondContact O-N 3.03Å; Y1172-N1184 WeakPolarHBondContact CE2-O 3.27Å; Y1172-L1186 HydrophobicContact CD1-CD1 4.45Å; Y1172-L1186 HydrophobicContact CE1-CD1 3.88Å; Y1172-L1186 HydrophobicContact CE2-CB 3.91Å; Y1172-L1186 HydrophobicContact CE2-CD1 4.34Å; Y1172-I1189 HydrophobicContact CD1-CG2 4.48Å; Y1172-I1189 HydrophobicContact CD2-CG2 4.35Å; Y1172-I1189 HydrophobicContact CG-CG2 4.06Å
1173	H	92.1	Very high	86.6	Confident	20 Å²	20	37.2 Å²	37.2	9%	0.093	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142	165.5	-82.2	-114.2	0	0	0	110.1	V1148 K1149 Y1151 C1157 C1162 H1171 M1181	V1148-H1173 CarbonylContact C-O 2.87Å; V1148-H1173 WeakPolarHBondContact CA-O 3.42Å; K1149-H1173 PolarHBondContact N-O 2.92Å; K1149-H1173 PolarHBondContact O-N 3.17Å; Y1151-H1173 AromaticContact CD2-CD2 3.86Å; Y1151-H1173 HydrophobicContact CE2-CB 4.09Å; Y1151-H1173 AromaticContact CE2-CD2 3.47Å; Y1151-H1173 VanDerWaalsContact CE2-CD2 3.47Å; Y1151-H1173 WeakPolarHBondContact CE2-CD2 3.48Å; Y1151-H1173 AromaticContact CE2-CG 3.88Å; C1157-H1173 PolarHBondContact SG-NE2 3.49Å; C1162-H1173 PolarHBondContact SG-NE2 3.05Å; C1162-H1173 VanDerWaalsContact SG-NE2 3.38Å; H1171-H1173 AromaticContact CD2-CD2 3.49Å; H1171-H1173 PolarHBondContact CD2-CD2 3.23Å; H1171-H1173 VanDerWaalsContact CD2-CD2 3.49Å; H1171-H1173 AromaticContact CD2-NE2 3.47Å; H1171-H1173 PolarHBondContact CD2-NE2 3.1Å; H1171-H1173 AromaticContact NE2-CD2 3.85Å; H1171-H1173 AromaticContact NE2-NE2 3.58Å; H1173-M1181 WeakPolarHBondContact CA-O 3.48Å
1174	C	92.6	Very high	87	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.034	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.1	158.8	-167.6	0	0	0	0	109.4	M1181 I1189 H1197	C1174-M1181 HydrophobicContact CB-CB 3.92Å; C1174-M1181 HydrophobicContact CB-CG 4.47Å; C1174-M1181 PolarHBondContact N-O 3.37Å; C1174-I1189 HydrophobicContact CB-CD1 4.34Å; C1174-H1197 PolarHBondContact SG-NE2 3Å; C1174-H1197 VanDerWaalsContact SG-NE2 3.42Å
1175	V	88.1	Confident	87.2	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.024	20%	0.197	C	C	.	.			trans	-121.9	6.9	-180	-144.5	0	0	0	0	111.7	I1093 P1095 I1144 A1147 K1149	I1093-V1175 HydrophobicContact CB-CG1 4.29Å; I1093-V1175 HydrophobicContact CG2-CG1 4.45Å; I1093-V1175 WeakPolarHBondContact O-CG1 3.24Å; P1095-V1175 VanDerWaalsContact CD-CG1 3.42Å; P1095-V1175 HydrophobicContact CG-CG1 3.69Å; I1144-V1175 HydrophobicContact CG2-CG2 4.5Å; A1147-V1175 PolarHBondContact O-N 3.24Å; K1149-V1175 HydrophobicContact CB-CG2 3.66Å; K1149-V1175 VanDerWaalsContact N-CG2 3.26Å
1176	K	86.3	Confident	87.5	Confident	30 Å²	30	38.3 Å²	38.3	13%	0.13	19%	0.193	C	C	.	.	S	Bend	trans	-64.2	129.8	172.7	-73.2	-142.7	179.4	-171.7	0	109.7	H1092 Y1105 A1147 R1178 C1179 H1197	H1092-K1176 PolarHBondContact NE2-O 3.07Å; Y1105-K1176 PolarHBondContact OH-NZ 2.82Å; A1147-K1176 HydrophobicContact CB-CD 4.35Å; A1147-K1176 HydrophobicContact CB-CG 3.5Å; K1176-R1178 PolarHBondContact O-N 3.35Å; K1176-R1178 VanDerWaalsContact O-N 3.16Å; K1176-C1179 HydrophobicContact CB-CB 4.19Å; K1176-C1179 VanDerWaalsContact O-CB 3.25Å; K1176-C1179 WeakPolarHBondContact O-CB 3.35Å; K1176-C1179 PolarHBondContact O-N 3.36Å; K1176-H1197 HydrophobicContact CD-CB 4.32Å
1177	P	81.8	Confident	88.2	Confident	60 Å²	60	39.6 Å²	39.6	39%	0.39	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	122.9	-175	-32.1	35.2	0	0	0	113.3	C1100	C1100-P1177 HydrophobicContact CB-CG 4.16Å
1178	R	84.9	Confident	88.8	Confident	75 Å²	75	40.6 Å²	40.6	28%	0.283	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	12.1	-178.9	-42.4	145.7	-63.8	-178.4	-9.9	115.4	K1176 I1202 E1203 N1204 F1206 E1207 Y1208	K1176-R1178 PolarHBondContact O-N 3.35Å; K1176-R1178 VanDerWaalsContact O-N 3.16Å; R1178-I1202 HydrophobicContact CB-CG2 4.22Å; R1178-I1202 VanDerWaalsContact CZ-O 3.25Å; R1178-I1202 PolarHBondContact NH1-O 3.12Å; R1178-I1202 PolarHBondContact NH2-O 2.96Å; R1178-I1202 VanDerWaalsContact NH2-O 3.09Å; R1178-I1202 WeakPolarHBondContact O-CD1 3.16Å; R1178-E1203 PolarHBondContact NH1-O 3.18Å; R1178-N1204 PolarHBondContact NH1-OD1 2.89Å; R1178-F1206 WeakPolarHBondContact CB-O 3.25Å; R1178-F1206 VanDerWaalsContact CD-O 3.3Å; R1178-F1206 WeakPolarHBondContact CD-O 3.41Å; R1178-E1207 HydrophobicContact CB-CG 4.35Å; R1178-Y1208 PolarHBondContact O-N 2.93Å
1179	C	92	Very high	89.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	101.8	176.1	-163.2	0	0	0	0	111.8	K1176 M1181 H1192 H1197 I1202	K1176-C1179 HydrophobicContact CB-CB 4.19Å; K1176-C1179 VanDerWaalsContact O-CB 3.25Å; K1176-C1179 WeakPolarHBondContact O-CB 3.35Å; K1176-C1179 PolarHBondContact O-N 3.36Å; C1179-M1181 PolarHBondContact O-N 2.86Å; C1179-H1192 VanDerWaalsContact SG-CE1 3.58Å; C1179-H1192 PolarHBondContact SG-NE2 3.32Å; C1179-H1197 VanDerWaalsContact SG-CE1 3.53Å; C1179-H1197 PolarHBondContact SG-NE2 2.88Å; C1179-I1202 HydrophobicContact CB-CD1 3.71Å
1180	Y	89.7	Confident	89.9	Confident	18 Å²	18	31.9 Å²	31.9	7%	0.071	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	88.3	177.1	-61.3	-89.3	0	0	0	110.4	V1090 H1092 E1207 Y1208 Y1209 D1210	V1090-Y1180 HydrophobicContact CB-CD1 4.07Å; V1090-Y1180 HydrophobicContact CB-CE1 3.61Å; V1090-Y1180 HydrophobicContact CG1-CD1 3.64Å; V1090-Y1180 HydrophobicContact CG1-CE1 3.59Å; V1090-Y1180 WeakPolarHBondContact O-CE1 3.43Å; V1090-Y1180 PolarHBondContact O-OH 3.48Å; H1092-Y1180 HydrophobicContact CB-CE1 3.73Å; H1092-Y1180 AromaticContact CD2-CE1 3.89Å; Y1180-E1207 HydrophobicContact CE2-CB 4.24Å; Y1180-E1207 HydrophobicContact CE2-CG 4.12Å; Y1180-Y1208 WeakPolarHBondContact CB-O 3.47Å; Y1180-Y1208 WeakPolarHBondContact CD2-O 3.41Å; Y1180-Y1208 PolarHBondContact N-O 3.21Å; Y1180-Y1209 VanDerWaalsContact CB-CD1 3.47Å; Y1180-Y1209 AromaticContact CD1-CE1 3.98Å; Y1180-Y1209 HydrophobicContact CD1-CE1 3.98Å; Y1180-Y1209 AromaticContact CD2-CD1 3.78Å; Y1180-Y1209 HydrophobicContact CD2-CD1 3.78Å; Y1180-Y1209 AromaticContact CD2-CE1 3.24Å; Y1180-Y1209 HydrophobicContact CD2-CE1 3.24Å; Y1180-Y1209 HydrophobicContact CD2-CE2 4.2Å; Y1180-Y1209 HydrophobicContact CD2-CG 4.41Å; Y1180-Y1209 AromaticContact CD2-CZ 3.5Å; Y1180-Y1209 HydrophobicContact CE1-CE1 4.4Å; Y1180-Y1209 AromaticContact CE2-CE1 3.74Å; Y1180-Y1209 HydrophobicContact CE2-CE1 3.74Å; Y1180-Y1209 HydrophobicContact CE2-CE2 4.46Å; Y1180-Y1209 AromaticContact CE2-CZ 3.63Å; Y1180-Y1209 WeakPolarHBondContact CE2-OH 3.5Å; Y1180-Y1209 AromaticContact CG-CD1 3.71Å; Y1180-Y1209 HydrophobicContact CG-CD1 3.71Å; Y1180-Y1209 AromaticContact CG-CE1 3.38Å; Y1180-Y1209 HydrophobicContact CG-CE1 3.38Å; Y1180-D1210 PolarHBondContact O-N 3.33Å
1181	M	90.2	Very high	89.8	Confident	13 Å²	13	32 Å²	32	6%	0.064	16%	0.164	C	C	.	.			trans	-125.2	135.4	173	166.3	61.8	95.5	0	0	110.1	H1173 C1174 C1179 I1189 H1192 D1210	H1173-M1181 WeakPolarHBondContact CA-O 3.48Å; C1174-M1181 HydrophobicContact CB-CB 3.92Å; C1174-M1181 HydrophobicContact CB-CG 4.47Å; C1174-M1181 PolarHBondContact N-O 3.37Å; C1179-M1181 PolarHBondContact O-N 2.86Å; M1181-I1189 HydrophobicContact CG-CD1 3.75Å; M1181-H1192 HydrophobicContact CE-CB 4.02Å; M1181-D1210 HydrophobicContact CB-CB 4.47Å; M1181-D1210 HydrophobicContact CE-CB 3.95Å; M1181-D1210 WeakPolarHBondContact CE-OD1 3.46Å; M1181-D1210 HydrophobicContact SD-CB 3.78Å
1182	A	91.4	Very high	89.8	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.8	171.1	0	0	0	0	0	112.1	Y1172 S1212 I1213	Y1172-A1182 VanDerWaalsContact O-CA 3.27Å; Y1172-A1182 WeakPolarHBondContact O-CA 3.49Å; A1182-S1212 WeakPolarHBondContact O-CB 3.32Å; A1182-S1212 PolarHBondContact O-OG 2.72Å; A1182-I1213 HydrophobicContact CB-CD1 3.87Å; A1182-I1213 HydrophobicContact CB-CG1 4.07Å
1183	T	90.4	Very high	89.7	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	147.5	-178.6	169.2	0	0	0	0	110.4	Y1172 N1185 L1188 I1189	Y1172-T1183 WeakPolarHBondContact CD2-O 3.32Å; Y1172-T1183 PolarHBondContact N-O 2.72Å; Y1172-T1183 PolarHBondContact O-N 3.03Å; T1183-N1185 WeakPolarHBondContact CG2-O 3.38Å; T1183-N1185 PolarHBondContact OG1-N 2.9Å; T1183-N1185 PolarHBondContact OG1-O 3.47Å; T1183-N1185 VanDerWaalsContact OG1-O 3.09Å; T1183-L1188 HydrophobicContact CG2-CB 4.29Å; T1183-I1189 HydrophobicContact CG2-CB 3.72Å; T1183-I1189 HydrophobicContact CG2-CD1 4.12Å; T1183-I1189 HydrophobicContact CG2-CG1 4.42Å
1184	N	90.4	Very high	89.4	Confident	78 Å²	78	35.3 Å²	35.3	42%	0.417	18%	0.176	S	C	.	.	S	Bend	trans	-87.4	-16.5	169.2	59	-17.5	0	0	0	113.6	Y1164 Q1170 H1171 Y1172	Y1164-N1184 HydrophobicContact CD1-CB 4.06Å; Y1164-N1184 HydrophobicContact CE1-CB 3.51Å; Y1164-N1184 VanDerWaalsContact CZ-N 3.33Å; Y1164-N1184 PolarHBondContact OH-N 3.16Å; Y1164-N1184 VanDerWaalsContact OH-N 3.09Å; Y1164-N1184 PolarHBondContact OH-OD1 2.88Å; Q1170-N1184 WeakPolarHBondContact O-CB 3.47Å; H1171-N1184 HydrophobicContact CB-CB 4.37Å; Y1172-N1184 WeakPolarHBondContact CE2-O 3.27Å
1185	N	89.9	Confident	89	Confident	60 Å²	60	41.5 Å²	41.5	32%	0.321	21%	0.205	S	C	.	.			trans	-90.9	135.1	176	172.8	-70	0	0	0	111.4	T1183 D1187 L1188	T1183-N1185 WeakPolarHBondContact CG2-O 3.38Å; T1183-N1185 PolarHBondContact OG1-N 2.9Å; T1183-N1185 PolarHBondContact OG1-O 3.47Å; T1183-N1185 VanDerWaalsContact OG1-O 3.09Å; N1185-D1187 PolarHBondContact ND2-OD2 3.17Å; N1185-D1187 VanDerWaalsContact ND2-OD2 3.16Å; N1185-D1187 WeakPolarHBondContact OD1-CA 3.3Å; N1185-D1187 WeakPolarHBondContact OD1-CB 3.48Å; N1185-D1187 PolarHBondContact OD1-N 2.96Å; N1185-D1187 PolarHBondContact OD1-OD2 3.38Å; N1185-L1188 HydrophobicContact CB-CB 4.41Å; N1185-L1188 HydrophobicContact CB-CD1 4.11Å; N1185-L1188 HydrophobicContact CB-CG 4.13Å; N1185-L1188 WeakPolarHBondContact OD1-CG 3.42Å; N1185-L1188 PolarHBondContact OD1-N 3.2Å
1186	L	89.8	Confident	89	Confident	30 Å²	30	42.3 Å²	42.3	16%	0.157	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-36.2	-176.6	-179.6	57	0	0	0	113	L1109 F1114 Y1172 L1188 I1189 N1190	L1109-L1186 HydrophobicContact CB-CD1 4.11Å; L1109-L1186 WeakPolarHBondContact O-CD2 3.26Å; F1114-L1186 HydrophobicContact CE2-CD1 4.13Å; Y1172-L1186 HydrophobicContact CD1-CD1 4.45Å; Y1172-L1186 HydrophobicContact CE1-CD1 3.88Å; Y1172-L1186 HydrophobicContact CE2-CB 3.91Å; Y1172-L1186 HydrophobicContact CE2-CD1 4.34Å; L1186-L1188 VanDerWaalsContact C-N 3.34Å; L1186-L1188 PolarHBondContact O-N 2.96Å; L1186-I1189 HydrophobicContact CD1-CG2 4.02Å; L1186-I1189 VanDerWaalsContact O-CG2 3.23Å; L1186-I1189 WeakPolarHBondContact O-CG2 3.02Å; L1186-I1189 PolarHBondContact O-N 2.96Å; L1186-N1190 PolarHBondContact O-N 2.93Å; L1186-N1190 PolarHBondContact O-ND2 3.23Å
1187	D	90	Very high	89.1	Confident	99 Å²	99	41.7 Å²	41.7	53%	0.529	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-40.9	177.3	-43	-58.2	0	0	0	110.5	N1185 I1189 N1190 I1191	N1185-D1187 PolarHBondContact ND2-OD2 3.17Å; N1185-D1187 VanDerWaalsContact ND2-OD2 3.16Å; N1185-D1187 WeakPolarHBondContact OD1-CA 3.3Å; N1185-D1187 WeakPolarHBondContact OD1-CB 3.48Å; N1185-D1187 PolarHBondContact OD1-N 2.96Å; N1185-D1187 PolarHBondContact OD1-OD2 3.38Å; D1187-I1189 VanDerWaalsContact C-N 3.33Å; D1187-I1189 PolarHBondContact O-N 3.25Å; D1187-N1190 PolarHBondContact O-N 3.19Å; D1187-I1191 WeakPolarHBondContact O-CB 3.39Å; D1187-I1191 VanDerWaalsContact O-CG1 3.22Å; D1187-I1191 WeakPolarHBondContact O-CG1 3.39Å; D1187-I1191 PolarHBondContact O-N 2.84Å
1188	L	90.1	Very high	89.1	Confident	95 Å²	95	43.5 Å²	43.5	50%	0.497	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-34	176.6	-67.1	-174.7	0	0	0	112.9	T1183 N1185 L1186 H1192	T1183-L1188 HydrophobicContact CG2-CB 4.29Å; N1185-L1188 HydrophobicContact CB-CB 4.41Å; N1185-L1188 HydrophobicContact CB-CD1 4.11Å; N1185-L1188 HydrophobicContact CB-CG 4.13Å; N1185-L1188 WeakPolarHBondContact OD1-CG 3.42Å; N1185-L1188 PolarHBondContact OD1-N 3.2Å; L1186-L1188 VanDerWaalsContact C-N 3.34Å; L1186-L1188 PolarHBondContact O-N 2.96Å; L1188-H1192 WeakPolarHBondContact O-CB 3.3Å; L1188-H1192 PolarHBondContact O-N 3.17Å
1189	I	91	Very high	88.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-77.9	-31.3	174.7	-160.2	68.7	0	0	0	111.9	V1148 Y1172 C1174 M1181 T1183 L1186 D1187 H1192 R1193	V1148-I1189 HydrophobicContact CB-CG1 4.39Å; V1148-I1189 HydrophobicContact CG1-CG1 3.85Å; V1148-I1189 HydrophobicContact CG1-CG2 4.32Å; V1148-I1189 HydrophobicContact CG2-CD1 4.37Å; V1148-I1189 HydrophobicContact CG2-CG1 3.56Å; Y1172-I1189 HydrophobicContact CD1-CG2 4.48Å; Y1172-I1189 HydrophobicContact CD2-CG2 4.35Å; Y1172-I1189 HydrophobicContact CG-CG2 4.06Å; C1174-I1189 HydrophobicContact CB-CD1 4.34Å; M1181-I1189 HydrophobicContact CG-CD1 3.75Å; T1183-I1189 HydrophobicContact CG2-CB 3.72Å; T1183-I1189 HydrophobicContact CG2-CD1 4.12Å; T1183-I1189 HydrophobicContact CG2-CG1 4.42Å; L1186-I1189 HydrophobicContact CD1-CG2 4.02Å; L1186-I1189 VanDerWaalsContact O-CG2 3.23Å; L1186-I1189 WeakPolarHBondContact O-CG2 3.02Å; L1186-I1189 PolarHBondContact O-N 2.96Å; D1187-I1189 VanDerWaalsContact C-N 3.33Å; D1187-I1189 PolarHBondContact O-N 3.25Å; I1189-H1192 HydrophobicContact CD1-CB 4.39Å; I1189-H1192 PolarHBondContact O-N 3.32Å; I1189-R1193 WeakPolarHBondContact O-CG 3.28Å; I1189-R1193 PolarHBondContact O-N 2.94Å
1190	N	90.8	Very high	88.3	Confident	5 Å²	5	50 Å²	50	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-45.1	171.1	-81	-35.8	0	0	0	112.5	D1108 L1109 L1186 D1187 H1192 R1193 R1194	D1108-N1190 HydrophobicContact CB-CB 4.43Å; D1108-N1190 WeakPolarHBondContact OD1-CB 3.39Å; L1109-N1190 WeakPolarHBondContact CB-OD1 3.01Å; L1109-N1190 PolarHBondContact N-ND2 3.19Å; L1109-N1190 PolarHBondContact N-OD1 3.38Å; L1109-N1190 PolarHBondContact O-ND2 3.39Å; L1186-N1190 PolarHBondContact O-N 2.93Å; L1186-N1190 PolarHBondContact O-ND2 3.23Å; D1187-N1190 PolarHBondContact O-N 3.19Å; N1190-H1192 VanDerWaalsContact C-N 3.29Å; N1190-H1192 PolarHBondContact O-N 3.45Å; N1190-R1193 WeakPolarHBondContact O-CB 3.28Å; N1190-R1193 PolarHBondContact O-N 2.96Å; N1190-R1193 PolarHBondContact OD1-NH1 2.87Å; N1190-R1194 WeakPolarHBondContact O-CG 3.47Å; N1190-R1194 PolarHBondContact O-N 3.17Å
1191	I	88.7	Confident	87.8	Confident	61 Å²	61	54.7 Å²	54.7	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-56.6	-44.5	170.3	-70.4	164.8	0	0	0	109.9	D1187 R1194 E1195	D1187-I1191 WeakPolarHBondContact O-CB 3.39Å; D1187-I1191 VanDerWaalsContact O-CG1 3.22Å; D1187-I1191 WeakPolarHBondContact O-CG1 3.39Å; D1187-I1191 PolarHBondContact O-N 2.84Å; I1191-R1194 PolarHBondContact O-N 3.4Å; I1191-E1195 HydrophobicContact CG2-CG 4.24Å; I1191-E1195 WeakPolarHBondContact O-CB 3.45Å; I1191-E1195 PolarHBondContact O-N 3.46Å
1192	H	92.1	Very high	87.5	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.046	26%	0.261	C	S	.	.	I	π-helix	trans	-61.2	-45.2	174.4	177.3	67	0	0	0	113.2	C1179 M1181 L1188 I1189 N1190 R1194 F1196 H1197	C1179-H1192 VanDerWaalsContact SG-CE1 3.58Å; C1179-H1192 PolarHBondContact SG-NE2 3.32Å; M1181-H1192 HydrophobicContact CE-CB 4.02Å; L1188-H1192 WeakPolarHBondContact O-CB 3.3Å; L1188-H1192 PolarHBondContact O-N 3.17Å; I1189-H1192 HydrophobicContact CD1-CB 4.39Å; I1189-H1192 PolarHBondContact O-N 3.32Å; N1190-H1192 VanDerWaalsContact C-N 3.29Å; N1190-H1192 PolarHBondContact O-N 3.45Å; H1192-R1194 PolarHBondContact O-N 2.89Å; H1192-F1196 AromaticContact CE1-CD1 3.48Å; H1192-F1196 VanDerWaalsContact CE1-CD1 3.48Å; H1192-F1196 WeakPolarHBondContact CE1-CD1 3.4Å; H1192-F1196 AromaticContact CE1-CG 3.79Å; H1192-F1196 AromaticContact ND1-CG 3.94Å; H1192-F1196 WeakPolarHBondContact O-CA 3.28Å; H1192-F1196 WeakPolarHBondContact O-CB 3.32Å; H1192-F1196 PolarHBondContact O-N 3.45Å; H1192-H1197 AromaticContact NE2-CD2 3.93Å; H1192-H1197 AromaticContact NE2-NE2 3.66Å; H1192-H1197 PolarHBondContact O-N 2.95Å
1193	R	91	Very high	87	Confident	3 Å²	3	57 Å²	57	1%	0.011	27%	0.273	C	S	.	.	I	π-helix	trans	-56.1	-49.6	175	-74.2	170.4	60.5	-128.8	-6.8	111.4	D1102 K1104 Y1105 T1107 V1148 I1189 N1190 H1197	D1102-R1193 IonicContact OD1-NH2 3.74Å; D1102-R1193 PolarHBondContact OD1-NH2 3.49Å; D1102-R1193 VanDerWaalsContact OD1-NH2 3.1Å; D1102-R1193 IonicContact OD2-CZ 2.67Å; D1102-R1193 VanDerWaalsContact OD2-CZ 3.25Å; D1102-R1193 IonicContact OD2-NE 3.91Å; D1102-R1193 PolarHBondContact OD2-NE 3.4Å; D1102-R1193 IonicContact OD2-NH2 2.81Å; D1102-R1193 PolarHBondContact OD2-NH2 2.91Å; K1104-R1193 PolarHBondContact O-NH2 2.99Å; Y1105-R1193 WeakPolarHBondContact CD1-O 3.4Å; T1107-R1193 PolarHBondContact O-NH1 3.29Å; T1107-R1193 PolarHBondContact O-NH2 3.49Å; V1148-R1193 HydrophobicContact CG2-CG 4.04Å; I1189-R1193 WeakPolarHBondContact O-CG 3.28Å; I1189-R1193 PolarHBondContact O-N 2.94Å; N1190-R1193 WeakPolarHBondContact O-CB 3.28Å; N1190-R1193 PolarHBondContact O-N 2.96Å; N1190-R1193 PolarHBondContact OD1-NH1 2.87Å; R1193-H1197 WeakPolarHBondContact O-CB 3.25Å; R1193-H1197 PolarHBondContact O-N 3.26Å
1194	R	85.3	Confident	86.3	Confident	86 Å²	86	62 Å²	62	33%	0.325	30%	0.299	S	S	.	.	I	π-helix	trans	-69.4	-64.4	-178.5	-65.6	-166.9	-64.7	-151.4	-9.6	112.1	Y1105 D1108 N1190 I1191 H1192 F1196 Q1198	Y1105-R1194 WeakPolarHBondContact O-CD 3.44Å; Y1105-R1194 VanDerWaalsContact O-CG 3.22Å; Y1105-R1194 WeakPolarHBondContact O-CG 3.26Å; D1108-R1194 IonicContact OD1-CZ 2.67Å; D1108-R1194 IonicContact OD1-NE 3.12Å; D1108-R1194 PolarHBondContact OD1-NE 2.98Å; D1108-R1194 IonicContact OD1-NH1 3.81Å; D1108-R1194 PolarHBondContact OD1-NH1 3.46Å; D1108-R1194 IonicContact OD1-NH2 3.29Å; D1108-R1194 PolarHBondContact OD1-NH2 3.31Å; D1108-R1194 IonicContact OD2-CZ 3.24Å; D1108-R1194 VanDerWaalsContact OD2-CZ 3.27Å; D1108-R1194 IonicContact OD2-NH1 3.38Å; D1108-R1194 PolarHBondContact OD2-NH1 2.91Å; D1108-R1194 IonicContact OD2-NH2 2.7Å; D1108-R1194 PolarHBondContact OD2-NH2 3.45Å; N1190-R1194 WeakPolarHBondContact O-CG 3.47Å; N1190-R1194 PolarHBondContact O-N 3.17Å; I1191-R1194 PolarHBondContact O-N 3.4Å; H1192-R1194 PolarHBondContact O-N 2.89Å; R1194-F1196 PolarHBondContact O-N 3.37Å; R1194-Q1198 WeakPolarHBondContact O-CB 3.48Å; R1194-Q1198 PolarHBondContact O-N 3.33Å
1195	E	85.4	Confident	85.9	Confident	134 Å²	134	59.6 Å²	59.6	63%	0.626	29%	0.293	S	S	*	.	I	π-helix	trans	-75.2	-29.9	-169.6	-62	-178	-178.9	0	0	113.5	I1191 Y1199	I1191-E1195 HydrophobicContact CG2-CG 4.24Å; I1191-E1195 WeakPolarHBondContact O-CB 3.45Å; I1191-E1195 PolarHBondContact O-N 3.46Å; E1195-Y1199 WeakPolarHBondContact O-CD2 3.33Å
1196	F	88.2	Confident	85.9	Confident	22 Å²	22	56.8 Å²	56.8	10%	0.096	28%	0.278	C	S	.	.	I	π-helix	trans	-90.3	-58.6	176.9	-165.6	-104.2	0	0	0	111.6	H1192 R1194 Q1198 Y1199 H1200 I1202 Y1208 F1229	H1192-F1196 AromaticContact CE1-CD1 3.48Å; H1192-F1196 VanDerWaalsContact CE1-CD1 3.48Å; H1192-F1196 WeakPolarHBondContact CE1-CD1 3.4Å; H1192-F1196 AromaticContact CE1-CG 3.79Å; H1192-F1196 AromaticContact ND1-CG 3.94Å; H1192-F1196 WeakPolarHBondContact O-CA 3.28Å; H1192-F1196 WeakPolarHBondContact O-CB 3.32Å; H1192-F1196 PolarHBondContact O-N 3.45Å; R1194-F1196 PolarHBondContact O-N 3.37Å; F1196-Q1198 PolarHBondContact O-N 3.01Å; F1196-Y1199 PolarHBondContact O-N 3.19Å; F1196-H1200 HydrophobicContact CD2-CB 4.17Å; F1196-H1200 AromaticContact CD2-CD2 3.87Å; F1196-H1200 HydrophobicContact CE2-CB 4.1Å; F1196-H1200 AromaticContact CE2-CD2 3.87Å; F1196-H1200 HydrophobicContact CG-CB 4.47Å; F1196-H1200 HydrophobicContact CZ-CB 4.32Å; F1196-H1200 WeakPolarHBondContact O-CA 3.06Å; F1196-H1200 VanDerWaalsContact O-CB 3.27Å; F1196-H1200 WeakPolarHBondContact O-CB 3.42Å; F1196-H1200 PolarHBondContact O-N 3.38Å; F1196-I1202 HydrophobicContact CE1-CD1 4.26Å; F1196-I1202 HydrophobicContact CE1-CG1 4.23Å; F1196-Y1208 HydrophobicContact CE1-CD1 4.03Å; F1196-Y1208 HydrophobicContact CE1-CD2 4.28Å; F1196-Y1208 HydrophobicContact CE1-CE1 4.4Å; F1196-Y1208 AromaticContact CE1-CG 3.97Å; F1196-Y1208 HydrophobicContact CE1-CG 3.97Å; F1196-Y1208 AromaticContact CE2-CD2 3.8Å; F1196-Y1208 HydrophobicContact CE2-CD2 3.8Å; F1196-Y1208 AromaticContact CE2-CE2 3.61Å; F1196-Y1208 HydrophobicContact CE2-CE2 3.61Å; F1196-Y1208 HydrophobicContact CE2-CG 4.31Å; F1196-Y1208 AromaticContact CZ-CD1 3.91Å; F1196-Y1208 HydrophobicContact CZ-CD1 3.91Å; F1196-Y1208 AromaticContact CZ-CD2 3.37Å; F1196-Y1208 HydrophobicContact CZ-CD2 3.37Å; F1196-Y1208 HydrophobicContact CZ-CE1 4.19Å; F1196-Y1208 AromaticContact CZ-CE2 3.66Å; F1196-Y1208 HydrophobicContact CZ-CE2 3.66Å; F1196-Y1208 AromaticContact CZ-CG 3.49Å; F1196-Y1208 HydrophobicContact CZ-CG 3.49Å; F1196-Y1208 VanDerWaalsContact CZ-CG 3.49Å; F1196-F1229 HydrophobicContact CE2-CE1 4.33Å; F1196-F1229 AromaticContact CE2-CZ 3.77Å; F1196-F1229 HydrophobicContact CE2-CZ 3.77Å; F1196-F1229 AromaticContact CZ-CE1 3.77Å; F1196-F1229 HydrophobicContact CZ-CE1 3.77Å; F1196-F1229 AromaticContact CZ-CZ 3.69Å; F1196-F1229 HydrophobicContact CZ-CZ 3.69Å
1197	H	87.5	Confident	85.9	Confident	16 Å²	16	57.2 Å²	57.2	7%	0.074	28%	0.279	C	S	.	.	I	π-helix	trans	-79.7	-17.6	-168.6	-76.8	-43.4	0	0	0	116.1	Y1105 C1174 K1176 C1179 H1192 R1193	Y1105-H1197 HydrophobicContact CE1-CB 3.89Å; C1174-H1197 PolarHBondContact SG-NE2 3Å; C1174-H1197 VanDerWaalsContact SG-NE2 3.42Å; K1176-H1197 HydrophobicContact CD-CB 4.32Å; C1179-H1197 VanDerWaalsContact SG-CE1 3.53Å; C1179-H1197 PolarHBondContact SG-NE2 2.88Å; H1192-H1197 AromaticContact NE2-CD2 3.93Å; H1192-H1197 AromaticContact NE2-NE2 3.66Å; H1192-H1197 PolarHBondContact O-N 2.95Å; R1193-H1197 WeakPolarHBondContact O-CB 3.25Å; R1193-H1197 PolarHBondContact O-N 3.26Å
1198	Q	82.3	Confident	86	Confident	99 Å²	99	52.7 Å²	52.7	46%	0.463	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-36.4	169.6	-168.8	179.5	-8.4	0	0	112.1	R1194 F1196	R1194-Q1198 WeakPolarHBondContact O-CB 3.48Å; R1194-Q1198 PolarHBondContact O-N 3.33Å; F1196-Q1198 PolarHBondContact O-N 3.01Å
1199	Y	80.3	Confident	86	Confident	145 Å²	145	48.2 Å²	48.2	57%	0.569	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-19.5	-171	-56.3	-78	0	0	0	114.2	E1195 F1196	E1195-Y1199 WeakPolarHBondContact O-CD2 3.33Å; F1196-Y1199 PolarHBondContact O-N 3.19Å
1200	H	80.3	Confident	86	Confident	67 Å²	67	48.9 Å²	48.9	31%	0.31	23%	0.234	S	C	.	.			trans	-126.2	88.8	-174.4	-64.3	-6.3	0	0	0	112.1	F1196 I1202	F1196-H1200 HydrophobicContact CD2-CB 4.17Å; F1196-H1200 AromaticContact CD2-CD2 3.87Å; F1196-H1200 HydrophobicContact CE2-CB 4.1Å; F1196-H1200 AromaticContact CE2-CD2 3.87Å; F1196-H1200 HydrophobicContact CG-CB 4.47Å; F1196-H1200 HydrophobicContact CZ-CB 4.32Å; F1196-H1200 WeakPolarHBondContact O-CA 3.06Å; F1196-H1200 VanDerWaalsContact O-CB 3.27Å; F1196-H1200 WeakPolarHBondContact O-CB 3.42Å; F1196-H1200 PolarHBondContact O-N 3.38Å; H1200-I1202 PolarHBondContact O-N 3.47Å
1201	I	79.5	Confident	85.9	Confident	116 Å²	116	51.5 Å²	51.5	60%	0.595	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-66.6	125.4	162.3	-57.2	173.7	0	0	0	108.7
1202	I	83.7	Confident	85.7	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.036	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-75.7	122.4	170.1	-53.6	174	0	0	0	107.9	R1178 C1179 F1196 H1200 F1206	R1178-I1202 HydrophobicContact CB-CG2 4.22Å; R1178-I1202 VanDerWaalsContact CZ-O 3.25Å; R1178-I1202 PolarHBondContact NH1-O 3.12Å; R1178-I1202 PolarHBondContact NH2-O 2.96Å; R1178-I1202 VanDerWaalsContact NH2-O 3.09Å; R1178-I1202 WeakPolarHBondContact O-CD1 3.16Å; C1179-I1202 HydrophobicContact CB-CD1 3.71Å; F1196-I1202 HydrophobicContact CE1-CD1 4.26Å; F1196-I1202 HydrophobicContact CE1-CG1 4.23Å; H1200-I1202 PolarHBondContact O-N 3.47Å; I1202-F1206 HydrophobicContact CG2-CB 4.24Å; I1202-F1206 WeakPolarHBondContact CG2-O 3.15Å
1203	E	80.5	Confident	85.3	Confident	56 Å²	56	49.4 Å²	49.4	26%	0.262	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-73.2	157.2	-175.9	-63.5	-70.4	174.9	0	0	112	R1178 G1205 F1206 M1246 K1247 I1250	R1178-E1203 PolarHBondContact NH1-O 3.18Å; E1203-G1205 PolarHBondContact O-N 3.31Å; E1203-F1206 HydrophobicContact CB-CD2 3.8Å; E1203-F1206 HydrophobicContact CB-CE2 4.27Å; E1203-F1206 PolarHBondContact O-N 2.84Å; E1203-M1246 HydrophobicContact CB-CE 4.3Å; E1203-M1246 HydrophobicContact CG-CE 3.84Å; E1203-K1247 HydrophobicContact CG-CG 4.13Å; E1203-K1247 VanDerWaalsContact OE1-CE 3.27Å; E1203-K1247 WeakPolarHBondContact OE1-CE 3.5Å; E1203-I1250 HydrophobicContact CB-CD1 3.83Å; E1203-I1250 HydrophobicContact CG-CD1 4.47Å; E1203-I1250 HydrophobicContact CG-CG2 4.47Å
1204	N	76	Confident	85	Confident	113 Å²	113	51 Å²	51	60%	0.604	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	132.9	179.2	-70.7	0.8	0	0	0	110.5	R1178 F1206 Y1233	R1178-N1204 PolarHBondContact NH1-OD1 2.89Å; N1204-F1206 WeakPolarHBondContact O-CD2 3.27Å; N1204-Y1233 VanDerWaalsContact O-CE2 3.23Å; N1204-Y1233 WeakPolarHBondContact O-CE2 3.18Å; N1204-Y1233 PolarHBondContact O-OH 3.25Å
1205	G	81.8	Confident	85.2	Confident	28 Å²	28	47 Å²	47	29%	0.289	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	22.5	-172.2	0	0	0	0	0	115.4	E1203 C1232	E1203-G1205 PolarHBondContact O-N 3.31Å; G1205-C1232 PolarHBondContact O-N 2.75Å
1206	F	89.4	Confident	85.1	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.8	173.4	-64.6	-96.7	0	0	0	112.4	R1178 I1202 E1203 N1204 H1230 C1231 Y1233 F1240 M1246 H1249 I1250	R1178-F1206 WeakPolarHBondContact CB-O 3.25Å; R1178-F1206 VanDerWaalsContact CD-O 3.3Å; R1178-F1206 WeakPolarHBondContact CD-O 3.41Å; I1202-F1206 HydrophobicContact CG2-CB 4.24Å; I1202-F1206 WeakPolarHBondContact CG2-O 3.15Å; E1203-F1206 HydrophobicContact CB-CD2 3.8Å; E1203-F1206 HydrophobicContact CB-CE2 4.27Å; E1203-F1206 PolarHBondContact O-N 2.84Å; N1204-F1206 WeakPolarHBondContact O-CD2 3.27Å; F1206-H1230 CarbonylContact C-O 3.59Å; F1206-H1230 VanDerWaalsContact CA-O 3.22Å; F1206-H1230 WeakPolarHBondContact CA-O 3.43Å; F1206-H1230 WeakPolarHBondContact CB-O 3.21Å; F1206-H1230 WeakPolarHBondContact CD1-O 3.45Å; F1206-C1231 HydrophobicContact CD1-CB 3.96Å; F1206-C1231 HydrophobicContact CE1-CB 3.62Å; F1206-C1231 HydrophobicContact CZ-CB 4.37Å; F1206-Y1233 HydrophobicContact CD2-CE2 4.43Å; F1206-Y1233 HydrophobicContact CE2-CD2 4.21Å; F1206-Y1233 AromaticContact CE2-CE2 3.83Å; F1206-Y1233 HydrophobicContact CE2-CE2 3.83Å; F1206-F1240 HydrophobicContact CE1-CD2 4.48Å; F1206-F1240 HydrophobicContact CE1-CE2 4.08Å; F1206-M1246 HydrophobicContact CB-SD 3.76Å; F1206-M1246 HydrophobicContact CD1-CG 3.36Å; F1206-M1246 HydrophobicContact CD1-SD 3.73Å; F1206-M1246 HydrophobicContact CD2-CG 4.38Å; F1206-M1246 HydrophobicContact CD2-SD 4.43Å; F1206-M1246 HydrophobicContact CE1-CG 3.5Å; F1206-M1246 VanDerWaalsContact CE1-CG 3.5Å; F1206-M1246 HydrophobicContact CE1-SD 4.45Å; F1206-M1246 HydrophobicContact CG-CG 3.83Å; F1206-M1246 HydrophobicContact CG-SD 3.71Å; F1206-M1246 HydrophobicContact CZ-CG 4.11Å; F1206-H1249 AromaticContact CE1-CD2 3.94Å; F1206-H1249 AromaticContact CZ-CD2 3.86Å; F1206-I1250 HydrophobicContact CE2-CB 3.66Å; F1206-I1250 HydrophobicContact CE2-CD1 3.91Å; F1206-I1250 HydrophobicContact CE2-CG1 3.9Å; F1206-I1250 HydrophobicContact CZ-CB 3.9Å
1207	E	89.5	Confident	84.8	Confident	38 Å²	38	44.8 Å²	44.8	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.2	176.4	-71.5	155.8	-169.4	0	0	109.6	R1178 Y1180 Y1209 R1217 F1229 H1230 C1232	R1178-E1207 HydrophobicContact CB-CG 4.35Å; Y1180-E1207 HydrophobicContact CE2-CB 4.24Å; Y1180-E1207 HydrophobicContact CE2-CG 4.12Å; E1207-Y1209 HydrophobicContact CB-CD2 4.36Å; E1207-Y1209 HydrophobicContact CB-CE2 3.6Å; E1207-Y1209 PolarHBondContact OE2-OH 3.42Å; E1207-Y1209 VanDerWaalsContact OE2-OH 3.1Å; E1207-R1217 IonicContact OE2-CZ 2.64Å; E1207-R1217 IonicContact OE2-NH2 3.78Å; E1207-R1217 PolarHBondContact OE2-NH2 3.42Å; E1207-F1229 CarbonylContact O-C 3.59Å; E1207-F1229 WeakPolarHBondContact O-CA 3.2Å; E1207-H1230 PolarHBondContact N-O 3.21Å; E1207-H1230 PolarHBondContact O-N 3.31Å; E1207-C1232 PolarHBondContact OE1-SG 3.49Å; E1207-C1232 PolarHBondContact OE2-SG 2.91Å
1208	Y	92.9	Very high	83.9	Confident	5 Å²	5	49 Å²	49	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.2	172	171.5	-95.8	0	0	0	110.5	R1178 Y1180 F1196 D1210 K1227 F1229	R1178-Y1208 PolarHBondContact O-N 2.93Å; Y1180-Y1208 WeakPolarHBondContact CB-O 3.47Å; Y1180-Y1208 WeakPolarHBondContact CD2-O 3.41Å; Y1180-Y1208 PolarHBondContact N-O 3.21Å; F1196-Y1208 HydrophobicContact CE1-CD1 4.03Å; F1196-Y1208 HydrophobicContact CE1-CD2 4.28Å; F1196-Y1208 HydrophobicContact CE1-CE1 4.4Å; F1196-Y1208 AromaticContact CE1-CG 3.97Å; F1196-Y1208 HydrophobicContact CE1-CG 3.97Å; F1196-Y1208 AromaticContact CE2-CD2 3.8Å; F1196-Y1208 HydrophobicContact CE2-CD2 3.8Å; F1196-Y1208 AromaticContact CE2-CE2 3.61Å; F1196-Y1208 HydrophobicContact CE2-CE2 3.61Å; F1196-Y1208 HydrophobicContact CE2-CG 4.31Å; F1196-Y1208 AromaticContact CZ-CD1 3.91Å; F1196-Y1208 HydrophobicContact CZ-CD1 3.91Å; F1196-Y1208 AromaticContact CZ-CD2 3.37Å; F1196-Y1208 HydrophobicContact CZ-CD2 3.37Å; F1196-Y1208 HydrophobicContact CZ-CE1 4.19Å; F1196-Y1208 AromaticContact CZ-CE2 3.66Å; F1196-Y1208 HydrophobicContact CZ-CE2 3.66Å; F1196-Y1208 AromaticContact CZ-CG 3.49Å; F1196-Y1208 HydrophobicContact CZ-CG 3.49Å; F1196-Y1208 VanDerWaalsContact CZ-CG 3.49Å; Y1208-D1210 HydrophobicContact CE1-CB 4Å; Y1208-D1210 PolarHBondContact OH-OD1 2.96Å; Y1208-K1227 HydrophobicContact CE2-CB 4.14Å; Y1208-K1227 WeakPolarHBondContact OH-CB 3.46Å; Y1208-K1227 WeakPolarHBondContact OH-CD 3.48Å; Y1208-K1227 WeakPolarHBondContact OH-CG 3.45Å; Y1208-F1229 AromaticContact CD2-CD1 4Å; Y1208-F1229 HydrophobicContact CD2-CD1 4Å; Y1208-F1229 HydrophobicContact CD2-CD2 4.38Å; Y1208-F1229 AromaticContact CD2-CE1 3.72Å; Y1208-F1229 HydrophobicContact CD2-CE1 3.72Å; Y1208-F1229 HydrophobicContact CD2-CE2 4.1Å; Y1208-F1229 HydrophobicContact CD2-CG 4.34Å; Y1208-F1229 AromaticContact CD2-CZ 3.77Å; Y1208-F1229 HydrophobicContact CD2-CZ 3.77Å; Y1208-F1229 HydrophobicContact CE2-CZ 4.36Å; Y1208-F1229 HydrophobicContact CG-CD1 4.48Å; Y1208-F1229 HydrophobicContact CG-CE1 4.26Å
1209	Y	90.7	Very high	83.5	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.3	174.2	-66.3	-83.3	0	0	0	110.3	V1090 Y1180 E1207 I1213 C1215 H1228 H1230	V1090-Y1209 HydrophobicContact CB-CE1 4.13Å; V1090-Y1209 HydrophobicContact CG1-CE1 4.44Å; V1090-Y1209 HydrophobicContact CG2-CE1 3.73Å; Y1180-Y1209 VanDerWaalsContact CB-CD1 3.47Å; Y1180-Y1209 AromaticContact CD1-CE1 3.98Å; Y1180-Y1209 HydrophobicContact CD1-CE1 3.98Å; Y1180-Y1209 AromaticContact CD2-CD1 3.78Å; Y1180-Y1209 HydrophobicContact CD2-CD1 3.78Å; Y1180-Y1209 AromaticContact CD2-CE1 3.24Å; Y1180-Y1209 HydrophobicContact CD2-CE1 3.24Å; Y1180-Y1209 HydrophobicContact CD2-CE2 4.2Å; Y1180-Y1209 HydrophobicContact CD2-CG 4.41Å; Y1180-Y1209 AromaticContact CD2-CZ 3.5Å; Y1180-Y1209 HydrophobicContact CE1-CE1 4.4Å; Y1180-Y1209 AromaticContact CE2-CE1 3.74Å; Y1180-Y1209 HydrophobicContact CE2-CE1 3.74Å; Y1180-Y1209 HydrophobicContact CE2-CE2 4.46Å; Y1180-Y1209 AromaticContact CE2-CZ 3.63Å; Y1180-Y1209 WeakPolarHBondContact CE2-OH 3.5Å; Y1180-Y1209 AromaticContact CG-CD1 3.71Å; Y1180-Y1209 HydrophobicContact CG-CD1 3.71Å; Y1180-Y1209 AromaticContact CG-CE1 3.38Å; Y1180-Y1209 HydrophobicContact CG-CE1 3.38Å; E1207-Y1209 HydrophobicContact CB-CD2 4.36Å; E1207-Y1209 HydrophobicContact CB-CE2 3.6Å; E1207-Y1209 PolarHBondContact OE2-OH 3.42Å; E1207-Y1209 VanDerWaalsContact OE2-OH 3.1Å; Y1209-I1213 HydrophobicContact CD1-CG2 4.16Å; Y1209-C1215 HydrophobicContact CD1-CB 3.82Å; Y1209-C1215 HydrophobicContact CD2-CB 3.79Å; Y1209-C1215 HydrophobicContact CE1-CB 4.1Å; Y1209-C1215 HydrophobicContact CE2-CB 4.04Å; Y1209-C1215 HydrophobicContact CG-CB 3.68Å; Y1209-H1228 PolarHBondContact N-O 2.77Å; Y1209-H1228 PolarHBondContact O-N 3.25Å; Y1209-H1230 AromaticContact CD2-CD2 3.79Å; Y1209-H1230 HydrophobicContact CE2-CB 4.49Å; Y1209-H1230 AromaticContact CE2-CD2 3.82Å
1210	D	89.9	Confident	83.8	Confident	13 Å²	13	44 Å²	44	7%	0.07	23%	0.233	C	C	.	.			trans	-78.1	171.5	168.6	-150.4	90.5	0	0	0	111.7	Y1180 M1181 Y1208 S1212 I1213 K1227	Y1180-D1210 PolarHBondContact O-N 3.33Å; M1181-D1210 HydrophobicContact CB-CB 4.47Å; M1181-D1210 HydrophobicContact CE-CB 3.95Å; M1181-D1210 WeakPolarHBondContact CE-OD1 3.46Å; M1181-D1210 HydrophobicContact SD-CB 3.78Å; Y1208-D1210 HydrophobicContact CE1-CB 4Å; Y1208-D1210 PolarHBondContact OH-OD1 2.96Å; D1210-S1212 PolarHBondContact O-N 3.29Å; D1210-I1213 PolarHBondContact O-N 3.34Å; D1210-K1227 WeakPolarHBondContact OD1-CD 3.25Å; D1210-K1227 WeakPolarHBondContact OD1-CE 3.45Å; D1210-K1227 IonicContact OD1-NZ 3.42Å; D1210-K1227 PolarHBondContact OD1-NZ 3.32Å; D1210-K1227 WeakPolarHBondContact OD2-CE 3.29Å; D1210-K1227 IonicContact OD2-NZ 3.14Å
1211	I	88.1	Confident	83.8	Confident	61 Å²	61	48.2 Å²	48.2	31%	0.313	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.1	-178.4	-65.1	168.5	0	0	0	111.3	K1224 K1227	I1211-K1224 WeakPolarHBondContact O-CA 3.41Å; I1211-K1227 HydrophobicContact CD1-CG 3.98Å; I1211-K1227 HydrophobicContact CG1-CG 3.87Å
1212	S	85.5	Confident	84.1	Confident	24 Å²	24	43.5 Å²	43.5	17%	0.168	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.4	180	55.9	0	0	0	0	113.6	P1163 A1182 D1210 K1224	P1163-S1212 WeakPolarHBondContact CD-O 3.2Å; P1163-S1212 VanDerWaalsContact CG-O 3.29Å; P1163-S1212 WeakPolarHBondContact CG-O 3.48Å; A1182-S1212 WeakPolarHBondContact O-CB 3.32Å; A1182-S1212 PolarHBondContact O-OG 2.72Å; D1210-S1212 PolarHBondContact O-N 3.29Å; S1212-K1224 PolarHBondContact O-NZ 3.16Å; S1212-K1224 VanDerWaalsContact O-NZ 3.1Å
1213	I	84	Confident	84.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.237	C	C	.	.	S	Bend	trans	-96.8	140.4	-171.9	-64.9	-173.2	0	0	0	112.2	V1090 A1182 Y1209 D1210 C1215	V1090-I1213 HydrophobicContact CG1-CG2 4.18Å; A1182-I1213 HydrophobicContact CB-CD1 3.87Å; A1182-I1213 HydrophobicContact CB-CG1 4.07Å; Y1209-I1213 HydrophobicContact CD1-CG2 4.16Å; D1210-I1213 PolarHBondContact O-N 3.34Å; I1213-C1215 PolarHBondContact O-N 3.07Å
1214	N	84.8	Confident	84.3	Confident	38 Å²	38	46.7 Å²	46.7	20%	0.203	24%	0.243	C	C	.	.			trans	-78.9	113.8	172.4	-170.2	-11.4	0	0	0	109.2	V1090 N1161 R1216 N1223	V1090-N1214 WeakPolarHBondContact CG2-O 3.35Å; N1161-N1214 HydrophobicContact CB-CB 3.94Å; N1214-R1216 PolarHBondContact O-N 3.09Å; N1214-R1216 VanDerWaalsContact O-N 3.11Å; N1214-R1216 WeakPolarHBondContact OD1-CA 3.22Å; N1214-R1216 PolarHBondContact OD1-N 3.41Å; N1214-N1223 PolarHBondContact OD1-ND2 3.27Å; N1214-N1223 PolarHBondContact OD1-OD1 2.97Å
1215	C	88.7	Confident	84.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.			trans	-67.9	-7.3	175	70.1	0	0	0	0	113.4	Y1209 I1213 R1217 N1223	Y1209-C1215 HydrophobicContact CD1-CB 3.82Å; Y1209-C1215 HydrophobicContact CD2-CB 3.79Å; Y1209-C1215 HydrophobicContact CE1-CB 4.1Å; Y1209-C1215 HydrophobicContact CE2-CB 4.04Å; Y1209-C1215 HydrophobicContact CG-CB 3.68Å; I1213-C1215 PolarHBondContact O-N 3.07Å; C1215-R1217 WeakPolarHBondContact O-CG 3.4Å; C1215-R1217 PolarHBondContact O-N 3.42Å; C1215-N1223 PolarHBondContact N-OD1 2.91Å; C1215-N1223 PolarHBondContact SG-OD1 3.27Å
1216	R	83.6	Confident	84.9	Confident	80 Å²	80	44.9 Å²	44.9	30%	0.302	23%	0.226	S	C	.	.			trans	60	-0.9	179.6	-58.9	177.8	-175.4	-144.7	-2.8	115.6	I1088 Y1089 V1090 D1159 N1161 N1214 P1218	I1088-R1216 HydrophobicContact CG2-CB 3.59Å; Y1089-R1216 WeakPolarHBondContact O-CD 3.41Å; V1090-R1216 HydrophobicContact CG2-CB 4.29Å; V1090-R1216 HydrophobicContact CG2-CG 3.91Å; D1159-R1216 IonicContact OD1-CZ 3.54Å; D1159-R1216 IonicContact OD1-NE 2.69Å; D1159-R1216 IonicContact OD1-NH2 3.41Å; D1159-R1216 PolarHBondContact OD1-NH2 3.47Å; N1161-R1216 PolarHBondContact ND2-NE 3.35Å; N1161-R1216 PolarHBondContact ND2-NH2 2.9Å; N1214-R1216 PolarHBondContact O-N 3.09Å; N1214-R1216 VanDerWaalsContact O-N 3.11Å; N1214-R1216 WeakPolarHBondContact OD1-CA 3.22Å; N1214-R1216 PolarHBondContact OD1-N 3.41Å; R1216-P1218 WeakPolarHBondContact O-CD 3.44Å
1217	R	82.9	Confident	84.9	Confident	30 Å²	30	49.4 Å²	49.4	11%	0.113	25%	0.246	C	C	.	.			trans	-81	115.5	-179.7	-58.8	-162.9	-174.2	-147.7	7.6	111	I1088 E1207 C1215 I1219 C1220 C1232 D1237	I1088-R1217 HydrophobicContact CB-CG 4.35Å; I1088-R1217 HydrophobicContact CD1-CB 4.34Å; I1088-R1217 HydrophobicContact CD1-CG 4.16Å; I1088-R1217 HydrophobicContact CG2-CG 4.1Å; E1207-R1217 IonicContact OE2-CZ 2.64Å; E1207-R1217 IonicContact OE2-NH2 3.78Å; E1207-R1217 PolarHBondContact OE2-NH2 3.42Å; C1215-R1217 WeakPolarHBondContact O-CG 3.4Å; C1215-R1217 PolarHBondContact O-N 3.42Å; R1217-I1219 PolarHBondContact O-N 3.45Å; R1217-I1219 VanDerWaalsContact O-N 3.08Å; R1217-C1220 HydrophobicContact CB-CB 4.06Å; R1217-C1220 WeakPolarHBondContact O-CB 3.5Å; R1217-C1220 PolarHBondContact O-N 3.14Å; R1217-C1232 PolarHBondContact NH2-SG 3.31Å; R1217-D1237 IonicContact NH1-OD1 2.97Å
1218	P	67	Low	85.1	Confident	104 Å²	104	47.6 Å²	47.6	68%	0.675	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.6	-168.1	27.3	-36.2	0	0	0	114.6	I1088 R1216	I1088-P1218 VanDerWaalsContact CD1-CD 3.44Å; I1088-P1218 HydrophobicContact CD1-CG 4.48Å; R1216-P1218 WeakPolarHBondContact O-CD 3.44Å
1219	I	74.9	Confident	85.1	Confident	127 Å²	127	47.5 Å²	47.5	65%	0.651	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	7.9	177.2	62	172.1	0	0	0	113.4	R1217 H1221	R1217-I1219 PolarHBondContact O-N 3.45Å; R1217-I1219 VanDerWaalsContact O-N 3.08Å; I1219-H1221 PolarHBondContact O-N 3.48Å
1220	C	86.1	Confident	85.1	Confident	13 Å²	13	47.7 Å²	47.7	9%	0.088	24%	0.238	C	C	.	.			trans	-79.7	107.7	178.6	-177.6	0	0	0	0	111.7	R1217 N1222 N1223 H1228 H1230	R1217-C1220 HydrophobicContact CB-CB 4.06Å; R1217-C1220 WeakPolarHBondContact O-CB 3.5Å; R1217-C1220 PolarHBondContact O-N 3.14Å; C1220-N1222 PolarHBondContact O-N 3.5Å; C1220-N1222 PolarHBondContact SG-N 3.46Å; C1220-N1222 VanDerWaalsContact SG-N 3.44Å; C1220-N1223 HydrophobicContact CB-CB 4.25Å; C1220-N1223 WeakPolarHBondContact O-CB 3.45Å; C1220-N1223 PolarHBondContact O-N 2.88Å; C1220-H1228 PolarHBondContact SG-NE2 3.31Å; C1220-H1228 VanDerWaalsContact SG-NE2 3.45Å; C1220-H1230 PolarHBondContact SG-CE1 3Å; C1220-H1230 PolarHBondContact SG-NE2 3.34Å
1221	H	81.7	Confident	85.2	Confident	155 Å²	155	47.1 Å²	47.1	72%	0.718	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-10	176.6	-170	55.8	0	0	0	114.4	I1219	I1219-H1221 PolarHBondContact O-N 3.48Å
1222	N	84.5	Confident	85.1	Confident	17 Å²	17	46.3 Å²	46.3	9%	0.091	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.1	179.1	-72.4	-23	0	0	0	113.7	C1220 K1224 I1225 N1226 H1228 T1239 I1241	C1220-N1222 PolarHBondContact O-N 3.5Å; C1220-N1222 PolarHBondContact SG-N 3.46Å; C1220-N1222 VanDerWaalsContact SG-N 3.44Å; N1222-K1224 PolarHBondContact O-N 2.88Å; N1222-I1225 PolarHBondContact O-N 2.83Å; N1222-N1226 HydrophobicContact CB-CB 4.08Å; N1222-N1226 PolarHBondContact O-N 3.32Å; N1222-N1226 PolarHBondContact OD1-ND2 3.4Å; N1222-H1228 HydrophobicContact CB-CB 3.81Å; N1222-T1239 HydrophobicContact CB-CG2 4.47Å; N1222-I1241 WeakPolarHBondContact ND2-CG1 3.36Å
1223	N	86.1	Confident	85	Confident	42 Å²	42	47.8 Å²	47.8	23%	0.225	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	119.6	-174.3	-168.3	23.6	0	0	0	111.5	N1214 C1215 C1220 I1225	N1214-N1223 PolarHBondContact OD1-ND2 3.27Å; N1214-N1223 PolarHBondContact OD1-OD1 2.97Å; C1215-N1223 PolarHBondContact N-OD1 2.91Å; C1215-N1223 PolarHBondContact SG-OD1 3.27Å; C1220-N1223 HydrophobicContact CB-CB 4.25Å; C1220-N1223 WeakPolarHBondContact O-CB 3.45Å; C1220-N1223 PolarHBondContact O-N 2.88Å; N1223-I1225 WeakPolarHBondContact O-CG1 3.3Å; N1223-I1225 PolarHBondContact O-N 3.19Å; N1223-I1225 VanDerWaalsContact O-N 3.12Å
1224	K	82.9	Confident	84.5	Confident	88 Å²	88	52.7 Å²	52.7	38%	0.383	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	21.6	-171.6	-54.4	-155	-179.9	-146.7	0	116.1	N1161 I1211 S1212 N1222	N1161-K1224 PolarHBondContact O-NZ 3.07Å; I1211-K1224 WeakPolarHBondContact O-CA 3.41Å; S1212-K1224 PolarHBondContact O-NZ 3.16Å; S1212-K1224 VanDerWaalsContact O-NZ 3.1Å; N1222-K1224 PolarHBondContact O-N 2.88Å
1225	I	83.6	Confident	83.8	Confident	72 Å²	72	56.4 Å²	56.4	37%	0.369	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-41.1	-179.3	-65.2	162.1	0	0	0	111.4	Q334 N1222 N1223	Q334-I1225 PolarHBondContact NE2-O 3.42Å; N1222-I1225 PolarHBondContact O-N 2.83Å; N1223-I1225 WeakPolarHBondContact O-CG1 3.3Å; N1223-I1225 PolarHBondContact O-N 3.19Å; N1223-I1225 VanDerWaalsContact O-N 3.12Å
1226	N	86.6	Confident	83.5	Confident	31 Å²	31	56.7 Å²	56.7	17%	0.166	29%	0.29	C	S	.	.	S	Bend	trans	-133.6	151.5	177.4	-70.9	-67.4	0	0	0	109.8	Q334 N1222 H1228 I1241	Q334-N1226 PolarHBondContact NE2-OD1 3.34Å; Q334-N1226 VanDerWaalsContact NE2-OD1 3.16Å; N1222-N1226 HydrophobicContact CB-CB 4.08Å; N1222-N1226 PolarHBondContact O-N 3.32Å; N1222-N1226 PolarHBondContact OD1-ND2 3.4Å; N1226-H1228 PolarHBondContact O-N 3.2Å; N1226-H1228 PolarHBondContact O-ND1 3.23Å; N1226-I1241 HydrophobicContact CB-CD1 4.04Å; N1226-I1241 HydrophobicContact CB-CG1 4.16Å
1227	K	90.1	Very high	83.1	Confident	96 Å²	96	54.9 Å²	54.9	42%	0.417	29%	0.287	S	S	.	.			trans	-62.4	127.7	159.9	-61.7	-176.7	177.6	-137.5	0	108.1	Y1208 D1210 I1211	Y1208-K1227 HydrophobicContact CE2-CB 4.14Å; Y1208-K1227 WeakPolarHBondContact OH-CB 3.46Å; Y1208-K1227 WeakPolarHBondContact OH-CD 3.48Å; Y1208-K1227 WeakPolarHBondContact OH-CG 3.45Å; D1210-K1227 WeakPolarHBondContact OD1-CD 3.25Å; D1210-K1227 WeakPolarHBondContact OD1-CE 3.45Å; D1210-K1227 IonicContact OD1-NZ 3.42Å; D1210-K1227 PolarHBondContact OD1-NZ 3.32Å; D1210-K1227 WeakPolarHBondContact OD2-CE 3.29Å; D1210-K1227 IonicContact OD2-NZ 3.14Å; I1211-K1227 HydrophobicContact CD1-CG 3.98Å; I1211-K1227 HydrophobicContact CG1-CG 3.87Å
1228	H	93.6	Very high	83.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.9	-170.9	63.7	-77.9	0	0	0	115	Y1209 C1220 N1222 N1226 H1230 T1239 F1240	Y1209-H1228 PolarHBondContact N-O 2.77Å; Y1209-H1228 PolarHBondContact O-N 3.25Å; C1220-H1228 PolarHBondContact SG-NE2 3.31Å; C1220-H1228 VanDerWaalsContact SG-NE2 3.45Å; N1222-H1228 HydrophobicContact CB-CB 3.81Å; N1226-H1228 PolarHBondContact O-N 3.2Å; N1226-H1228 PolarHBondContact O-ND1 3.23Å; H1228-H1230 AromaticContact CD2-CD2 3.78Å; H1228-H1230 AromaticContact CD2-NE2 3.6Å; H1228-H1230 AromaticContact NE2-CD2 3.83Å; H1228-H1230 AromaticContact NE2-NE2 3.51Å; H1228-T1239 HydrophobicContact CB-CG2 4.09Å; H1228-F1240 CarbonylContact C-O 3.58Å; H1228-F1240 VanDerWaalsContact CA-O 3.26Å; H1228-F1240 WeakPolarHBondContact CA-O 3.37Å; H1228-F1240 WeakPolarHBondContact CB-O 3.33Å
1229	F	92.4	Very high	84.4	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.3	173.6	-55.2	-97.8	0	0	0	110.1	F1196 E1207 Y1208 T1239 F1240 A1243 M1246	F1196-F1229 HydrophobicContact CE2-CE1 4.33Å; F1196-F1229 AromaticContact CE2-CZ 3.77Å; F1196-F1229 HydrophobicContact CE2-CZ 3.77Å; F1196-F1229 AromaticContact CZ-CE1 3.77Å; F1196-F1229 HydrophobicContact CZ-CE1 3.77Å; F1196-F1229 AromaticContact CZ-CZ 3.69Å; F1196-F1229 HydrophobicContact CZ-CZ 3.69Å; E1207-F1229 CarbonylContact O-C 3.59Å; E1207-F1229 WeakPolarHBondContact O-CA 3.2Å; Y1208-F1229 AromaticContact CD2-CD1 4Å; Y1208-F1229 HydrophobicContact CD2-CD1 4Å; Y1208-F1229 HydrophobicContact CD2-CD2 4.38Å; Y1208-F1229 AromaticContact CD2-CE1 3.72Å; Y1208-F1229 HydrophobicContact CD2-CE1 3.72Å; Y1208-F1229 HydrophobicContact CD2-CE2 4.1Å; Y1208-F1229 HydrophobicContact CD2-CG 4.34Å; Y1208-F1229 AromaticContact CD2-CZ 3.77Å; Y1208-F1229 HydrophobicContact CD2-CZ 3.77Å; Y1208-F1229 HydrophobicContact CE2-CZ 4.36Å; Y1208-F1229 HydrophobicContact CG-CD1 4.48Å; Y1208-F1229 HydrophobicContact CG-CE1 4.26Å; F1229-T1239 CarbonylContact O-C 3.28Å; F1229-T1239 WeakPolarHBondContact O-CA 3.5Å; F1229-F1240 HydrophobicContact CB-CB 4.38Å; F1229-F1240 PolarHBondContact N-O 3.17Å; F1229-F1240 PolarHBondContact O-N 2.71Å; F1229-A1243 HydrophobicContact CE2-CB 4.01Å; F1229-A1243 HydrophobicContact CZ-CB 3.84Å; F1229-M1246 HydrophobicContact CB-CG 4.37Å; F1229-M1246 HydrophobicContact CB-SD 3.82Å; F1229-M1246 HydrophobicContact CD1-CE 4.07Å; F1229-M1246 HydrophobicContact CD1-SD 3.35Å; F1229-M1246 WeakPolarHBondContact CD1-SD 3.26Å; F1229-M1246 HydrophobicContact CE1-CE 4.1Å; F1229-M1246 HydrophobicContact CE1-SD 4Å; F1229-M1246 HydrophobicContact CG-SD 3.69Å
1230	H	91.1	Very high	85.1	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.019	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	143.3	165.8	-83.3	-58	0	0	0	111.2	F1206 E1207 Y1209 C1220 H1228 T1239	F1206-H1230 CarbonylContact C-O 3.59Å; F1206-H1230 VanDerWaalsContact CA-O 3.22Å; F1206-H1230 WeakPolarHBondContact CA-O 3.43Å; F1206-H1230 WeakPolarHBondContact CB-O 3.21Å; F1206-H1230 WeakPolarHBondContact CD1-O 3.45Å; E1207-H1230 PolarHBondContact N-O 3.21Å; E1207-H1230 PolarHBondContact O-N 3.31Å; Y1209-H1230 AromaticContact CD2-CD2 3.79Å; Y1209-H1230 HydrophobicContact CE2-CB 4.49Å; Y1209-H1230 AromaticContact CE2-CD2 3.82Å; C1220-H1230 PolarHBondContact SG-CE1 3Å; C1220-H1230 PolarHBondContact SG-NE2 3.34Å; H1228-H1230 AromaticContact CD2-CD2 3.78Å; H1228-H1230 AromaticContact CD2-NE2 3.6Å; H1228-H1230 AromaticContact NE2-CD2 3.83Å; H1228-H1230 AromaticContact NE2-NE2 3.51Å; H1230-T1239 PolarHBondContact CE1-OG1 3.26Å; H1230-T1239 PolarHBondContact ND1-OG1 2.8Å; H1230-T1239 VanDerWaalsContact ND1-OG1 3.15Å
1231	C	91.1	Very high	85.2	Confident	1 Å²	1	55 Å²	55	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.5	164.2	-168.6	0	0	0	0	109.8	F1206 C1236 Y1238 F1240 H1253	F1206-C1231 HydrophobicContact CD1-CB 3.96Å; F1206-C1231 HydrophobicContact CE1-CB 3.62Å; F1206-C1231 HydrophobicContact CZ-CB 4.37Å; C1231-C1236 VanDerWaalsContact CB-O 3.31Å; C1231-C1236 WeakPolarHBondContact CB-O 3.4Å; C1231-Y1238 PolarHBondContact N-O 2.9Å; C1231-F1240 HydrophobicContact CB-CE2 4.34Å; C1231-H1253 PolarHBondContact SG-NE2 3.45Å
1232	C	85.8	Confident	85.5	Confident	45 Å²	45	54 Å²	54	30%	0.304	27%	0.266	S	S	.	.			trans	-118.3	8.2	-177.6	-55.8	0	0	0	0	112.6	G1205 E1207 R1217	G1205-C1232 PolarHBondContact O-N 2.75Å; E1207-C1232 PolarHBondContact OE1-SG 3.49Å; E1207-C1232 PolarHBondContact OE2-SG 2.91Å; R1217-C1232 PolarHBondContact NH2-SG 3.31Å
1233	Y	83.6	Confident	85.6	Confident	54 Å²	54	53.5 Å²	53.5	21%	0.212	26%	0.264	C	S	.	.	S	Bend	trans	-64.9	141.5	170.4	-80.8	-86.4	0	0	0	110.8	N1204 F1206 N1235 C1236 I1250 H1253	N1204-Y1233 VanDerWaalsContact O-CE2 3.23Å; N1204-Y1233 WeakPolarHBondContact O-CE2 3.18Å; N1204-Y1233 PolarHBondContact O-OH 3.25Å; F1206-Y1233 HydrophobicContact CD2-CE2 4.43Å; F1206-Y1233 HydrophobicContact CE2-CD2 4.21Å; F1206-Y1233 AromaticContact CE2-CE2 3.83Å; F1206-Y1233 HydrophobicContact CE2-CE2 3.83Å; Y1233-N1235 PolarHBondContact O-N 3.08Å; Y1233-C1236 VanDerWaalsContact O-CB 3.3Å; Y1233-C1236 WeakPolarHBondContact O-CB 3.37Å; Y1233-C1236 PolarHBondContact O-N 3.06Å; Y1233-C1236 VanDerWaalsContact O-N 3.13Å; Y1233-I1250 HydrophobicContact CE2-CD1 4.49Å; Y1233-I1250 HydrophobicContact CE2-CG1 4.37Å; Y1233-H1253 HydrophobicContact CD1-CB 4.44Å; Y1233-H1253 AromaticContact CD2-CD2 3.84Å; Y1233-H1253 HydrophobicContact CE1-CB 4.39Å; Y1233-H1253 HydrophobicContact CE2-CB 4.45Å; Y1233-H1253 AromaticContact CG-CG 3.92Å; Y1233-H1253 AromaticContact CG-ND1 3.95Å
1234	P	73.5	Confident	85.6	Confident	106 Å²	106	56.9 Å²	56.9	69%	0.688	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	131.5	-179.1	-28.9	35.7	0	0	0	113.6
1235	N	70.2	Confident	85.9	Confident	115 Å²	115	55.4 Å²	55.4	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	29.5	-176.4	-43.4	-87.8	0	0	0	114.9	Y1084 Y1233	Y1084-N1235 WeakPolarHBondContact CE1-OD1 3.48Å; Y1233-N1235 PolarHBondContact O-N 3.08Å
1236	C	82.2	Confident	86.2	Confident	6 Å²	6	52 Å²	52	4%	0.041	26%	0.264	C	S	.	.			trans	-139.3	70.2	-172.9	-166.4	0	0	0	0	115.2	C1231 Y1233 Y1238 H1249 H1253	C1231-C1236 VanDerWaalsContact CB-O 3.31Å; C1231-C1236 WeakPolarHBondContact CB-O 3.4Å; Y1233-C1236 VanDerWaalsContact O-CB 3.3Å; Y1233-C1236 WeakPolarHBondContact O-CB 3.37Å; Y1233-C1236 PolarHBondContact O-N 3.06Å; Y1233-C1236 VanDerWaalsContact O-N 3.13Å; C1236-Y1238 PolarHBondContact O-N 3.41Å; C1236-H1249 PolarHBondContact SG-NE2 2.82Å; C1236-H1253 WeakPolarHBondContact CB-CE1 3.37Å; C1236-H1253 WeakPolarHBondContact CB-NE2 3.43Å; C1236-H1253 PolarHBondContact SG-CE1 3.21Å; C1236-H1253 PolarHBondContact SG-NE2 3.32Å
1237	D	76.1	Confident	86.2	Confident	42 Å²	42	53.5 Å²	53.5	23%	0.225	27%	0.268	C	S	.	.			trans	-79.1	38.3	-179.4	-55.8	-82.6	0	0	0	114.9	R1217	R1217-D1237 IonicContact NH1-OD1 2.97Å
1238	Y	86.9	Confident	86.1	Confident	119 Å²	119	55 Å²	55	47%	0.467	28%	0.277	S	S	.	.			trans	-74.7	146.2	175.5	-82.3	-94.9	0	0	0	112	P1081 C1231 C1236 F1240 H1249	P1081-Y1238 HydrophobicContact CG-CE2 4.38Å; C1231-Y1238 PolarHBondContact N-O 2.9Å; C1236-Y1238 PolarHBondContact O-N 3.41Å; Y1238-F1240 HydrophobicContact CD1-CZ 4.39Å; Y1238-F1240 HydrophobicContact CG-CZ 4.24Å; Y1238-H1249 AromaticContact CD2-CE1 3.65Å; Y1238-H1249 AromaticContact CG-CE1 3.77Å
1239	T	89.1	Confident	85.9	Confident	48 Å²	48	55.8 Å²	55.8	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.8	178.6	-45.4	0	0	0	0	109.8	N1222 H1228 F1229 H1230	N1222-T1239 HydrophobicContact CB-CG2 4.47Å; H1228-T1239 HydrophobicContact CB-CG2 4.09Å; F1229-T1239 CarbonylContact O-C 3.28Å; F1229-T1239 WeakPolarHBondContact O-CA 3.5Å; H1230-T1239 PolarHBondContact CE1-OG1 3.26Å; H1230-T1239 PolarHBondContact ND1-OG1 2.8Å; H1230-T1239 VanDerWaalsContact ND1-OG1 3.15Å
1240	F	90.2	Very high	85.7	Confident	25 Å²	25	56.6 Å²	56.6	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.4	-176.9	-52.2	-82.5	0	0	0	110.2	F1206 H1228 F1229 C1231 Y1238 M1246 H1249	F1206-F1240 HydrophobicContact CE1-CD2 4.48Å; F1206-F1240 HydrophobicContact CE1-CE2 4.08Å; H1228-F1240 CarbonylContact C-O 3.58Å; H1228-F1240 VanDerWaalsContact CA-O 3.26Å; H1228-F1240 WeakPolarHBondContact CA-O 3.37Å; H1228-F1240 WeakPolarHBondContact CB-O 3.33Å; F1229-F1240 HydrophobicContact CB-CB 4.38Å; F1229-F1240 PolarHBondContact N-O 3.17Å; F1229-F1240 PolarHBondContact O-N 2.71Å; C1231-F1240 HydrophobicContact CB-CE2 4.34Å; Y1238-F1240 HydrophobicContact CD1-CZ 4.39Å; Y1238-F1240 HydrophobicContact CG-CZ 4.24Å; F1240-M1246 HydrophobicContact CB-CB 4.29Å; F1240-M1246 HydrophobicContact CD2-CB 4.18Å; F1240-M1246 HydrophobicContact CD2-CG 4.45Å; F1240-M1246 HydrophobicContact CG-CB 4.19Å; F1240-H1249 HydrophobicContact CE1-CB 3.82Å; F1240-H1249 HydrophobicContact CE2-CB 4.11Å; F1240-H1249 AromaticContact CE2-CD2 3.86Å; F1240-H1249 AromaticContact CE2-CG 3.95Å; F1240-H1249 HydrophobicContact CZ-CB 3.44Å; F1240-H1249 VanDerWaalsContact CZ-CB 3.44Å; F1240-H1249 AromaticContact CZ-CD2 3.61Å; F1240-H1249 AromaticContact CZ-CG 3.27Å; F1240-H1249 AromaticContact CZ-ND1 3.57Å
1241	I	88.3	Confident	85.4	Confident	84 Å²	84	62.8 Å²	62.8	43%	0.431	31%	0.312	S	S	.	.	S	Bend	trans	-92.9	-47.1	170.7	-63.1	173.1	0	0	0	109.5	N1222 N1226	N1222-I1241 WeakPolarHBondContact ND2-CG1 3.36Å; N1226-I1241 HydrophobicContact CB-CD1 4.04Å; N1226-I1241 HydrophobicContact CB-CG1 4.16Å
1242	R	87.8	Confident	85.1	Confident	134 Å²	134	68.7 Å²	68.7	51%	0.506	34%	0.337	S	S	.	.	S	Bend	trans	-92.9	128.3	-176.9	-61.4	-178.6	179.4	134.7	-1	112.5	E341 N1244 T1245 M1246	E341-R1242 IonicContact OE1-CZ 3.73Å; E341-R1242 VanDerWaalsContact OE1-CZ 3.24Å; E341-R1242 IonicContact OE1-NH1 3.87Å; E341-R1242 PolarHBondContact OE1-NH1 3.22Å; E341-R1242 IonicContact OE1-NH2 3.35Å; E341-R1242 PolarHBondContact OE1-NH2 3Å; E341-R1242 IonicContact OE2-CZ 3.98Å; E341-R1242 IonicContact OE2-NE 2.68Å; E341-R1242 IonicContact OE2-NH2 3.79Å; E341-R1242 PolarHBondContact OE2-NH2 3.04Å; R1242-N1244 PolarHBondContact O-N 3.27Å; R1242-N1244 VanDerWaalsContact O-N 3.13Å; R1242-T1245 HydrophobicContact CB-CG2 4.48Å; R1242-T1245 PolarHBondContact O-N 3.12Å; R1242-T1245 PolarHBondContact O-OG1 3.22Å; R1242-M1246 PolarHBondContact O-N 3.47Å
1243	A	86	Confident	85	Confident	7 Å²	7	68.1 Å²	68.1	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-53.2	-35.3	179.7	0	0	0	0	0	113.7	F1229 T1245 M1246 K1247	F1229-A1243 HydrophobicContact CE2-CB 4.01Å; F1229-A1243 HydrophobicContact CZ-CB 3.84Å; A1243-T1245 VanDerWaalsContact C-N 3.29Å; A1243-T1245 PolarHBondContact O-N 3.2Å; A1243-M1246 WeakPolarHBondContact O-CB 3.3Å; A1243-M1246 PolarHBondContact O-N 3.25Å; A1243-K1247 PolarHBondContact O-N 3.47Å
1244	N	87	Confident	84.9	Confident	114 Å²	114	68.3 Å²	68.3	61%	0.61	34%	0.337	S	S	*	.	H	α-helix	trans	-63.3	-32.3	176.4	-75.3	-13.5	0	0	0	113.3	R1242 K1247 Q1248	R1242-N1244 PolarHBondContact O-N 3.27Å; R1242-N1244 VanDerWaalsContact O-N 3.13Å; N1244-K1247 PolarHBondContact O-N 3.14Å; N1244-Q1248 VanDerWaalsContact O-CG 3.32Å; N1244-Q1248 WeakPolarHBondContact O-CG 3.38Å; N1244-Q1248 PolarHBondContact O-N 3.03Å
1245	T	89.2	Confident	85.1	Confident	57 Å²	57	67.7 Å²	67.7	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-76.4	-32.1	177.2	62.7	0	0	0	0	112.1	R1242 A1243 Q1248 H1249	R1242-T1245 HydrophobicContact CB-CG2 4.48Å; R1242-T1245 PolarHBondContact O-N 3.12Å; R1242-T1245 PolarHBondContact O-OG1 3.22Å; A1243-T1245 VanDerWaalsContact C-N 3.29Å; A1243-T1245 PolarHBondContact O-N 3.2Å; T1245-Q1248 PolarHBondContact O-N 3.49Å; T1245-H1249 WeakPolarHBondContact O-CB 3.29Å; T1245-H1249 PolarHBondContact O-N 3.32Å
1246	M	89.7	Confident	85.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-48.6	166.8	-178.4	-165.7	66.1	0	0	111.4	E1203 F1206 F1229 F1240 R1242 A1243 Q1248 H1249 I1250	E1203-M1246 HydrophobicContact CB-CE 4.3Å; E1203-M1246 HydrophobicContact CG-CE 3.84Å; F1206-M1246 HydrophobicContact CB-SD 3.76Å; F1206-M1246 HydrophobicContact CD1-CG 3.36Å; F1206-M1246 HydrophobicContact CD1-SD 3.73Å; F1206-M1246 HydrophobicContact CD2-CG 4.38Å; F1206-M1246 HydrophobicContact CD2-SD 4.43Å; F1206-M1246 HydrophobicContact CE1-CG 3.5Å; F1206-M1246 VanDerWaalsContact CE1-CG 3.5Å; F1206-M1246 HydrophobicContact CE1-SD 4.45Å; F1206-M1246 HydrophobicContact CG-CG 3.83Å; F1206-M1246 HydrophobicContact CG-SD 3.71Å; F1206-M1246 HydrophobicContact CZ-CG 4.11Å; F1229-M1246 HydrophobicContact CB-CG 4.37Å; F1229-M1246 HydrophobicContact CB-SD 3.82Å; F1229-M1246 HydrophobicContact CD1-CE 4.07Å; F1229-M1246 HydrophobicContact CD1-SD 3.35Å; F1229-M1246 WeakPolarHBondContact CD1-SD 3.26Å; F1229-M1246 HydrophobicContact CE1-CE 4.1Å; F1229-M1246 HydrophobicContact CE1-SD 4Å; F1229-M1246 HydrophobicContact CG-SD 3.69Å; F1240-M1246 HydrophobicContact CB-CB 4.29Å; F1240-M1246 HydrophobicContact CD2-CB 4.18Å; F1240-M1246 HydrophobicContact CD2-CG 4.45Å; F1240-M1246 HydrophobicContact CG-CB 4.19Å; R1242-M1246 PolarHBondContact O-N 3.47Å; A1243-M1246 WeakPolarHBondContact O-CB 3.3Å; A1243-M1246 PolarHBondContact O-N 3.25Å; M1246-Q1248 VanDerWaalsContact C-N 3.28Å; M1246-Q1248 PolarHBondContact O-N 3.1Å; M1246-H1249 WeakPolarHBondContact O-CA 3.37Å; M1246-H1249 WeakPolarHBondContact O-CB 3.21Å; M1246-H1249 PolarHBondContact O-N 3.12Å; M1246-I1250 PolarHBondContact O-N 3.44Å
1247	K	86.6	Confident	84.4	Confident	62 Å²	62	71 Å²	71	27%	0.27	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-28.6	176.9	-74.1	-177.1	172.1	-178.6	0	113.5	E1203 A1243 N1244 I1250	E1203-K1247 HydrophobicContact CG-CG 4.13Å; E1203-K1247 VanDerWaalsContact OE1-CE 3.27Å; E1203-K1247 WeakPolarHBondContact OE1-CE 3.5Å; A1243-K1247 PolarHBondContact O-N 3.47Å; N1244-K1247 PolarHBondContact O-N 3.14Å; K1247-I1250 WeakPolarHBondContact O-CG2 3.27Å
1248	Q	87.3	Confident	84	Confident	128 Å²	128	76.1 Å²	76.1	60%	0.598	36%	0.362	S	S	*	.	H	α-helix	trans	-75.7	-26.3	168.9	-71.9	174.6	12.2	0	0	113.1	N1244 T1245 M1246	N1244-Q1248 VanDerWaalsContact O-CG 3.32Å; N1244-Q1248 WeakPolarHBondContact O-CG 3.38Å; N1244-Q1248 PolarHBondContact O-N 3.03Å; T1245-Q1248 PolarHBondContact O-N 3.49Å; M1246-Q1248 VanDerWaalsContact C-N 3.28Å; M1246-Q1248 PolarHBondContact O-N 3.1Å
1249	H	90.6	Very high	82.6	Confident	17 Å²	17	75.7 Å²	75.7	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-78.9	-41.8	178.6	-176.4	81.9	0	0	0	112.8	F1206 C1236 Y1238 F1240 T1245 M1246 K1251 K1252 H1253	F1206-H1249 AromaticContact CE1-CD2 3.94Å; F1206-H1249 AromaticContact CZ-CD2 3.86Å; C1236-H1249 PolarHBondContact SG-NE2 2.82Å; Y1238-H1249 AromaticContact CD2-CE1 3.65Å; Y1238-H1249 AromaticContact CG-CE1 3.77Å; F1240-H1249 HydrophobicContact CE1-CB 3.82Å; F1240-H1249 HydrophobicContact CE2-CB 4.11Å; F1240-H1249 AromaticContact CE2-CD2 3.86Å; F1240-H1249 AromaticContact CE2-CG 3.95Å; F1240-H1249 HydrophobicContact CZ-CB 3.44Å; F1240-H1249 VanDerWaalsContact CZ-CB 3.44Å; F1240-H1249 AromaticContact CZ-CD2 3.61Å; F1240-H1249 AromaticContact CZ-CG 3.27Å; F1240-H1249 AromaticContact CZ-ND1 3.57Å; T1245-H1249 WeakPolarHBondContact O-CB 3.29Å; T1245-H1249 PolarHBondContact O-N 3.32Å; M1246-H1249 WeakPolarHBondContact O-CA 3.37Å; M1246-H1249 WeakPolarHBondContact O-CB 3.21Å; M1246-H1249 PolarHBondContact O-N 3.12Å; H1249-K1251 PolarHBondContact O-N 3.46Å; H1249-K1252 WeakPolarHBondContact O-CB 3.33Å; H1249-K1252 PolarHBondContact O-N 3.18Å; H1249-H1253 AromaticContact CD2-CD2 3.82Å; H1249-H1253 AromaticContact CD2-NE2 3.14Å; H1249-H1253 PolarHBondContact CD2-NE2 3.27Å; H1249-H1253 AromaticContact CE1-NE2 3.32Å; H1249-H1253 PolarHBondContact CE1-NE2 3.43Å; H1249-H1253 VanDerWaalsContact CE1-NE2 3.32Å; H1249-H1253 AromaticContact NE2-CD2 3.69Å; H1249-H1253 AromaticContact NE2-NE2 2.35Å; H1249-H1253 PolarHBondContact NE2-NE2 3.42Å
1250	I	86.5	Confident	80.9	Confident	21 Å²	21	76.5 Å²	76.5	11%	0.108	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-33.5	177.4	-170	171.2	0	0	0	112.5	E1203 F1206 Y1233 M1246 K1247 K1252 H1253 T1254	E1203-I1250 HydrophobicContact CB-CD1 3.83Å; E1203-I1250 HydrophobicContact CG-CD1 4.47Å; E1203-I1250 HydrophobicContact CG-CG2 4.47Å; F1206-I1250 HydrophobicContact CE2-CB 3.66Å; F1206-I1250 HydrophobicContact CE2-CD1 3.91Å; F1206-I1250 HydrophobicContact CE2-CG1 3.9Å; F1206-I1250 HydrophobicContact CZ-CB 3.9Å; Y1233-I1250 HydrophobicContact CE2-CD1 4.49Å; Y1233-I1250 HydrophobicContact CE2-CG1 4.37Å; M1246-I1250 PolarHBondContact O-N 3.44Å; K1247-I1250 WeakPolarHBondContact O-CG2 3.27Å; I1250-K1252 PolarHBondContact O-N 3.28Å; I1250-H1253 WeakPolarHBondContact O-CA 3.5Å; I1250-H1253 WeakPolarHBondContact O-CB 3.3Å; I1250-H1253 PolarHBondContact O-N 3.39Å; I1250-T1254 HydrophobicContact CG1-CG2 4.37Å; I1250-T1254 PolarHBondContact O-N 3.41Å
1251	K	86	Confident	79.3	Confident	134 Å²	134	79.3 Å²	79.3	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-54.9	-34.5	173.3	-68.7	-177.2	-179.8	-173.6	0	112.6	H1249 T1254 E1255	H1249-K1251 PolarHBondContact O-N 3.46Å; K1251-T1254 PolarHBondContact O-N 3.37Å; K1251-T1254 PolarHBondContact O-OG1 2.64Å; K1251-T1254 VanDerWaalsContact O-OG1 3.12Å; K1251-E1255 WeakPolarHBondContact O-CB 3.2Å; K1251-E1255 VanDerWaalsContact O-CG 3.32Å; K1251-E1255 WeakPolarHBondContact O-CG 3.48Å; K1251-E1255 PolarHBondContact O-N 3.43Å
1252	K	84.1	Confident	77.4	Confident	124 Å²	124	82.6 Å²	82.6	54%	0.539	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-33.6	176.6	-56.3	-178.8	-177.2	179.3	0	112.1	H1249 I1250 N1256	H1249-K1252 WeakPolarHBondContact O-CB 3.33Å; H1249-K1252 PolarHBondContact O-N 3.18Å; I1250-K1252 PolarHBondContact O-N 3.28Å; K1252-N1256 VanDerWaalsContact O-CB 3.28Å; K1252-N1256 WeakPolarHBondContact O-CB 3.34Å; K1252-N1256 PolarHBondContact O-N 3.1Å; K1252-N1256 PolarHBondContact O-ND2 3.35Å; K1252-N1256 VanDerWaalsContact O-ND2 3.14Å
1253	H	84.5	Confident	75.3	Confident	34 Å²	34	81.2 Å²	81.2	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-69.5	-45.7	171.9	-73.6	-66.8	0	0	0	111.6	C1231 Y1233 C1236 H1249 I1250 E1255 N1256 L1257	C1231-H1253 PolarHBondContact SG-NE2 3.45Å; Y1233-H1253 HydrophobicContact CD1-CB 4.44Å; Y1233-H1253 AromaticContact CD2-CD2 3.84Å; Y1233-H1253 HydrophobicContact CE1-CB 4.39Å; Y1233-H1253 HydrophobicContact CE2-CB 4.45Å; Y1233-H1253 AromaticContact CG-CG 3.92Å; Y1233-H1253 AromaticContact CG-ND1 3.95Å; C1236-H1253 WeakPolarHBondContact CB-CE1 3.37Å; C1236-H1253 WeakPolarHBondContact CB-NE2 3.43Å; C1236-H1253 PolarHBondContact SG-CE1 3.21Å; C1236-H1253 PolarHBondContact SG-NE2 3.32Å; H1249-H1253 AromaticContact CD2-CD2 3.82Å; H1249-H1253 AromaticContact CD2-NE2 3.14Å; H1249-H1253 PolarHBondContact CD2-NE2 3.27Å; H1249-H1253 AromaticContact CE1-NE2 3.32Å; H1249-H1253 PolarHBondContact CE1-NE2 3.43Å; H1249-H1253 VanDerWaalsContact CE1-NE2 3.32Å; H1249-H1253 AromaticContact NE2-CD2 3.69Å; H1249-H1253 AromaticContact NE2-NE2 2.35Å; H1249-H1253 PolarHBondContact NE2-NE2 3.42Å; I1250-H1253 WeakPolarHBondContact O-CA 3.5Å; I1250-H1253 WeakPolarHBondContact O-CB 3.3Å; I1250-H1253 PolarHBondContact O-N 3.39Å; H1253-E1255 VanDerWaalsContact C-N 3.34Å; H1253-E1255 PolarHBondContact O-N 3.46Å; H1253-N1256 PolarHBondContact O-N 2.9Å; H1253-L1257 WeakPolarHBondContact O-CB 3.27Å; H1253-L1257 VanDerWaalsContact O-CG 3.29Å; H1253-L1257 WeakPolarHBondContact O-CG 3.31Å; H1253-L1257 PolarHBondContact O-N 3.14Å
1254	T	81.4	Confident	73.3	Confident	57 Å²	57	87.1 Å²	87.1	35%	0.35	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-35.1	178.4	65.2	0	0	0	0	112.4	I1250 K1251 K1258	I1250-T1254 HydrophobicContact CG1-CG2 4.37Å; I1250-T1254 PolarHBondContact O-N 3.41Å; K1251-T1254 PolarHBondContact O-N 3.37Å; K1251-T1254 PolarHBondContact O-OG1 2.64Å; K1251-T1254 VanDerWaalsContact O-OG1 3.12Å; T1254-K1258 WeakPolarHBondContact O-CB 3.34Å; T1254-K1258 VanDerWaalsContact O-CG 3.26Å; T1254-K1258 WeakPolarHBondContact O-CG 3.46Å; T1254-K1258 PolarHBondContact O-N 3.16Å
1255	E	78	Confident	71.1	Confident	94 Å²	94	86.2 Å²	86.2	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-45.8	169.2	-80	178.3	-137.2	0	0	113.1	K1251 H1253 L1257 K1258 K1259	K1251-E1255 WeakPolarHBondContact O-CB 3.2Å; K1251-E1255 VanDerWaalsContact O-CG 3.32Å; K1251-E1255 WeakPolarHBondContact O-CG 3.48Å; K1251-E1255 PolarHBondContact O-N 3.43Å; H1253-E1255 VanDerWaalsContact C-N 3.34Å; H1253-E1255 PolarHBondContact O-N 3.46Å; E1255-L1257 VanDerWaalsContact C-N 3.34Å; E1255-K1258 PolarHBondContact O-N 3.22Å; E1255-K1259 WeakPolarHBondContact O-CB 3.4Å; E1255-K1259 VanDerWaalsContact O-CG 3.3Å; E1255-K1259 WeakPolarHBondContact O-CG 3.45Å; E1255-K1259 PolarHBondContact O-N 2.83Å; E1255-K1259 IonicContact OE2-NZ 3.63Å; E1255-K1259 PolarHBondContact OE2-NZ 2.87Å
1256	N	69.8	Low	68.9	Low	91 Å²	91	88.2 Å²	88.2	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-68.4	-34.7	-179.7	-73.4	-20.6	0	0	0	111.8	K1252 H1253 K1259 S1260	K1252-N1256 VanDerWaalsContact O-CB 3.28Å; K1252-N1256 WeakPolarHBondContact O-CB 3.34Å; K1252-N1256 PolarHBondContact O-N 3.1Å; K1252-N1256 PolarHBondContact O-ND2 3.35Å; K1252-N1256 VanDerWaalsContact O-ND2 3.14Å; H1253-N1256 PolarHBondContact O-N 2.9Å; N1256-K1259 PolarHBondContact O-N 3.09Å; N1256-S1260 WeakPolarHBondContact O-CB 3.25Å; N1256-S1260 PolarHBondContact O-N 2.86Å
1257	L	68.2	Low	66.6	Low	98 Å²	98	94.7 Å²	94.7	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-63.8	-46.8	169.8	-71.4	167.5	0	0	0	111	H1253 E1255 K1259 S1260 V1261	H1253-L1257 WeakPolarHBondContact O-CB 3.27Å; H1253-L1257 VanDerWaalsContact O-CG 3.29Å; H1253-L1257 WeakPolarHBondContact O-CG 3.31Å; H1253-L1257 PolarHBondContact O-N 3.14Å; E1255-L1257 VanDerWaalsContact C-N 3.34Å; L1257-K1259 VanDerWaalsContact C-N 3.32Å; L1257-K1259 PolarHBondContact O-N 3.16Å; L1257-S1260 WeakPolarHBondContact O-CB 3.33Å; L1257-S1260 PolarHBondContact O-N 3.39Å; L1257-S1260 VanDerWaalsContact O-N 3.16Å; L1257-V1261 WeakPolarHBondContact O-CG2 3.34Å; L1257-V1261 PolarHBondContact O-N 3.05Å
1258	K	67.1	Low	64.3	Low	150 Å²	150	98.6 Å²	98.6	65%	0.652	48%	0.478	S	S	*	.	H	α-helix	trans	-59.9	-38.2	174.8	-75.8	172.4	178.2	-177.4	0	112.8	T1254 E1255 K1262	T1254-K1258 WeakPolarHBondContact O-CB 3.34Å; T1254-K1258 VanDerWaalsContact O-CG 3.26Å; T1254-K1258 WeakPolarHBondContact O-CG 3.46Å; T1254-K1258 PolarHBondContact O-N 3.16Å; E1255-K1258 PolarHBondContact O-N 3.22Å; K1258-K1262 PolarHBondContact O-N 3.18Å
1259	K	57.3	Low	62.2	Low	111 Å²	111	97.5 Å²	97.5	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-68	-40.8	173.7	-71	163.5	-170.5	159.6	0	111.8	E1255 N1256 L1257 K1262 N1263	E1255-K1259 WeakPolarHBondContact O-CB 3.4Å; E1255-K1259 VanDerWaalsContact O-CG 3.3Å; E1255-K1259 WeakPolarHBondContact O-CG 3.45Å; E1255-K1259 PolarHBondContact O-N 2.83Å; E1255-K1259 IonicContact OE2-NZ 3.63Å; E1255-K1259 PolarHBondContact OE2-NZ 2.87Å; N1256-K1259 PolarHBondContact O-N 3.09Å; L1257-K1259 VanDerWaalsContact C-N 3.32Å; L1257-K1259 PolarHBondContact O-N 3.16Å; K1259-K1262 PolarHBondContact O-N 2.69Å; K1259-N1263 PolarHBondContact O-N 2.73Å
1260	S	53.9	Low	59.6	Low	64 Å²	64	102.6 Å²	102.6	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.5	-169.3	0	0	0	0	112.1	N1256 L1257 N1263 K1264	N1256-S1260 WeakPolarHBondContact O-CB 3.25Å; N1256-S1260 PolarHBondContact O-N 2.86Å; L1257-S1260 WeakPolarHBondContact O-CB 3.33Å; L1257-S1260 PolarHBondContact O-N 3.39Å; L1257-S1260 VanDerWaalsContact O-N 3.16Å; S1260-N1263 PolarHBondContact O-N 3.22Å; S1260-K1264 WeakPolarHBondContact O-CG 3.26Å; S1260-K1264 PolarHBondContact O-N 3.43Å
1261	V	55.9	Low	57.1	Low	85 Å²	85	106.7 Å²	106.7	52%	0.515	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-45.3	173.6	173.5	0	0	0	0	111.4	L1257 N1263 K1264 N1265	L1257-V1261 WeakPolarHBondContact O-CG2 3.34Å; L1257-V1261 PolarHBondContact O-N 3.05Å; V1261-N1263 PolarHBondContact O-N 2.94Å; V1261-K1264 PolarHBondContact O-N 3.3Å; V1261-N1265 PolarHBondContact O-N 3.24Å; V1261-N1265 PolarHBondContact O-OD1 2.76Å
1262	K	47.8	Very low	54.6	Low	153 Å²	153	107 Å²	107	67%	0.665	54%	0.535	S	S	*	.	H	α-helix	trans	-60.5	-41.4	174.8	-78	-163.6	172.5	-166	0	112.7	K1258 K1259 N1265 N1266	K1258-K1262 PolarHBondContact O-N 3.18Å; K1259-K1262 PolarHBondContact O-N 2.69Å; K1262-N1265 PolarHBondContact O-N 2.81Å; K1262-N1266 PolarHBondContact O-N 2.83Å; K1262-N1266 PolarHBondContact O-OD1 3.48Å
1263	N	44	Very low	52.3	Low	105 Å²	105	107 Å²	107	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-68.2	-35.5	176.2	-79.5	17.2	0	0	0	112.6	K1259 S1260 V1261 N1266 Q1267	K1259-N1263 PolarHBondContact O-N 2.73Å; S1260-N1263 PolarHBondContact O-N 3.22Å; V1261-N1263 PolarHBondContact O-N 2.94Å; N1263-N1266 PolarHBondContact O-N 2.76Å; N1263-Q1267 PolarHBondContact O-N 3.47Å
1264	K	44.2	Very low	49.8	Very low	130 Å²	130	110.2 Å²	110.2	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-64.4	-40.8	172.1	-80.3	-169.7	172.5	-168	0	112.4	S1260 V1261 N1266 Q1267 F1268	S1260-K1264 WeakPolarHBondContact O-CG 3.26Å; S1260-K1264 PolarHBondContact O-N 3.43Å; V1261-K1264 PolarHBondContact O-N 3.3Å; K1264-N1266 VanDerWaalsContact C-N 3.34Å; K1264-N1266 PolarHBondContact O-N 2.9Å; K1264-Q1267 PolarHBondContact O-N 3.08Å; K1264-F1268 PolarHBondContact O-N 3.41Å
1265	N	41.9	Very low	47.4	Very low	95 Å²	95	115.2 Å²	115.2	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-63.9	-40.5	175.2	-69.1	14.9	0	0	0	111.2	V1261 K1262 F1268 I1269	V1261-N1265 PolarHBondContact O-N 3.24Å; V1261-N1265 PolarHBondContact O-OD1 2.76Å; K1262-N1265 PolarHBondContact O-N 2.81Å; N1265-F1268 PolarHBondContact O-N 3.04Å; N1265-I1269 WeakPolarHBondContact O-CG1 3.25Å; N1265-I1269 PolarHBondContact O-N 2.94Å
1266	N	43.1	Very low	45.2	Very low	99 Å²	99	118.1 Å²	118.1	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-69	-31.2	174.8	-72.6	13.5	0	0	0	113	K1262 N1263 K1264 N1270	K1262-N1266 PolarHBondContact O-N 2.83Å; K1262-N1266 PolarHBondContact O-OD1 3.48Å; N1263-N1266 PolarHBondContact O-N 2.76Å; K1264-N1266 VanDerWaalsContact C-N 3.34Å; K1264-N1266 PolarHBondContact O-N 2.9Å; N1266-N1270 VanDerWaalsContact O-CB 3.3Å; N1266-N1270 WeakPolarHBondContact O-CB 3.13Å; N1266-N1270 PolarHBondContact O-N 3.42Å
1267	Q	39.8	Very low	43.4	Very low	136 Å²	136	121.4 Å²	121.4	64%	0.636	63%	0.626	S	S	*	*	H	α-helix	trans	-73.3	-36	172.1	-77	-172.6	-67.2	0	0	112.6	N1263 K1264 T1271	N1263-Q1267 PolarHBondContact O-N 3.47Å; K1264-Q1267 PolarHBondContact O-N 3.08Å; Q1267-T1271 WeakPolarHBondContact O-CB 3.35Å; Q1267-T1271 PolarHBondContact O-N 3.18Å; Q1267-T1271 VanDerWaalsContact O-N 3.1Å; Q1267-T1271 PolarHBondContact O-OG1 2.57Å
1268	F	39.7	Very low	41.5	Very low	144 Å²	144	121.5 Å²	121.5	63%	0.632	64%	0.635	S	S	*	*	H	α-helix	trans	-64.4	-40.6	172.5	-98.9	-94.3	0	0	0	111.8	K1264 N1265 T1271 M1272	K1264-F1268 PolarHBondContact O-N 3.41Å; N1265-F1268 PolarHBondContact O-N 3.04Å; F1268-T1271 PolarHBondContact O-N 3.03Å; F1268-M1272 HydrophobicContact CD1-CE 4.42Å; F1268-M1272 WeakPolarHBondContact O-CG 3.35Å
1269	I	43	Very low	39.7	Very low	105 Å²	105	123.2 Å²	123.2	54%	0.538	64%	0.642	S	S	.	*	H	α-helix	trans	-69.2	-45.3	176.7	-68.9	169	0	0	0	111.3	N1265 T1271 M1272	N1265-I1269 WeakPolarHBondContact O-CG1 3.25Å; N1265-I1269 PolarHBondContact O-N 2.94Å; I1269-T1271 PolarHBondContact O-N 2.84Å; I1269-T1271 VanDerWaalsContact O-N 3.16Å; I1269-M1272 PolarHBondContact O-N 3.07Å; I1269-M1272 VanDerWaalsContact O-N 3.11Å
1270	N	34.4	Very low	38.2	Very low	125 Å²	125	124.6 Å²	124.6	67%	0.668	65%	0.654	S	S	*	*	H	α-helix	trans	-71.5	-5.4	177.9	-74.1	9.9	0	0	0	114.4	N1266	N1266-N1270 VanDerWaalsContact O-CB 3.3Å; N1266-N1270 WeakPolarHBondContact O-CB 3.13Å; N1266-N1270 PolarHBondContact O-N 3.42Å
1271	T	35.7	Very low	36.9	Very low	106 Å²	106	131 Å²	131	65%	0.65	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	11.6	172.6	-38.7	0	0	0	0	112.1	Q1267 F1268 I1269	Q1267-T1271 WeakPolarHBondContact O-CB 3.35Å; Q1267-T1271 PolarHBondContact O-N 3.18Å; Q1267-T1271 VanDerWaalsContact O-N 3.1Å; Q1267-T1271 PolarHBondContact O-OG1 2.57Å; F1268-T1271 PolarHBondContact O-N 3.03Å; I1269-T1271 PolarHBondContact O-N 2.84Å; I1269-T1271 VanDerWaalsContact O-N 3.16Å
1272	M	33.2	Very low	35.7	Very low	142 Å²	142	132.4 Å²	132.4	70%	0.7	68%	0.684	S	S	*	*	S	Bend	trans	-125.1	11.4	178	-73	-173.4	171.5	0	0	114	F1268 I1269	F1268-M1272 HydrophobicContact CD1-CE 4.42Å; F1268-M1272 WeakPolarHBondContact O-CG 3.35Å; I1269-M1272 PolarHBondContact O-N 3.07Å; I1269-M1272 VanDerWaalsContact O-N 3.11Å
1273	V	34.8	Very low	34.8	Very low	123 Å²	123	134.4 Å²	134.4	75%	0.745	69%	0.692	S	S	*	*	S	Bend	trans	-112.9	-7.8	177.9	-178.8	0	0	0	0	112.7
1274	T	31.6	Very low	34	Very low	102 Å²	102	134.2 Å²	134.2	63%	0.626	70%	0.699	S	S	*	*	S	Bend	trans	-108.3	137.3	165.8	51.5	0	0	0	0	110
1275	N	31.3	Very low	33.4	Very low	161 Å²	161	136.4 Å²	136.4	86%	0.861	71%	0.709	S	S	*	*			trans	70.9	75.3	-180	-57.6	-12.4	0	0	0	116.2
1276	N	33.2	Very low	32.8	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	72%	0.719	S	S	*	*			trans	-141.5	97.5	150.4	-115.3	-32.9	0	0	0	109.1
1277	I	30.3	Very low	31.8	Very low	160 Å²	160	142.8 Å²	142.8	82%	0.821	74%	0.737	S	S	*	*			trans	-179.4	135.6	160	-99.1	150.7	0	0	0	108.7
1278	S	28.9	Very low	31.5	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	74%	0.739	S	S	*	*			trans	63.6	135.3	176.1	-64.1	0	0	0	0	117.6
1279	K	29.5	Very low	30.7	Very low	185 Å²	185	142.1 Å²	142.1	80%	0.804	75%	0.747	S	S	*	*			cis	-147.4	131.2	-19	-85.2	167	-174.8	172.9	0	104.7
1280	L	25.7	Very low	29.9	Very low	140 Å²	140	142.1 Å²	142.1	73%	0.733	75%	0.752	S	S	*	*				77.3	122.3	57.7	-77.8	176.6	0	0	0	116
1281	Y	27.4	Very low	29.4	Very low	200 Å²	200	142.9 Å²	142.9	78%	0.784	76%	0.755	S	S	*	*			trans	70.4	145	170.5	-60.7	-72.7	0	0	0	117.2
1282	S	31.1	Very low	29.1	Very low	114 Å²	114	144 Å²	144	80%	0.797	76%	0.758	S	S	*	*			cis	-137	169.2	19.6	-72.6	0	0	0	0	115.5
1283	K	28	Very low	28.9	Very low	195 Å²	195	143.5 Å²	143.5	85%	0.848	76%	0.757	S	S	*	*			trans	-72.6	169.2	174	-57.4	173.4	178.8	173.8	0	110.9
1284	S	27.8	Very low	28.7	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	75%	0.751	S	S	*	*			cis	179.9	165.1	47.6	62.9	0	0	0	0	116.9
1285	K	31.2	Very low	28.5	Very low	176 Å²	176	145.9 Å²	145.9	77%	0.765	76%	0.756	S	S	*	*			trans	77.1	115.4	149.7	-78.1	-173.7	172.9	-174.7	0	123.1
1286	Q	29.1	Very low	28.4	Very low	156 Å²	156	144.4 Å²	144.4	73%	0.729	75%	0.748	S	S	*	*				58.3	103.5	126.2	-63.6	176	-81.3	0	0	123.3
1287	L	22	Very low	28.2	Very low	171 Å²	171	144.9 Å²	144.9	90%	0.895	75%	0.745	S	S	*	*				62.1	166.4	125	-93.3	74.5	0	0	0	120.9
1288	P	32.9	Very low	28.1	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	74%	0.738	S	S	*	*			trans	-130.3	-157.2	-142.7	37.8	-15.1	0	0	0	114.8
1289	M	23.7	Very low	28.1	Very low	160 Å²	160	146.9 Å²	146.9	79%	0.788	75%	0.746	S	S	*	*			trans	77	154.8	169	-61.8	-175.7	66	0	0	116.4
1290	T	26.4	Very low	28	Very low	106 Å²	106	140.9 Å²	140.9	65%	0.65	74%	0.737	S	S	*	*			cis	-140.2	-123.9	-21.8	16.2	0	0	0	0	109.3
1291	L	24.8	Very low	28.1	Very low	141 Å²	141	141.5 Å²	141.5	74%	0.738	74%	0.741	S	S	*	*			cis	-164.1	178.9	-4.7	-164.6	52.2	0	0	0	110.7
1292	N	28.8	Very low	28.2	Very low	130 Å²	130	140.6 Å²	140.6	70%	0.695	74%	0.744	S	S	*	*			trans	104.9	127.5	160.8	-58.9	-13.3	0	0	0	114.5
1293	N	28.6	Very low	27.9	Very low	130 Å²	130	139.7 Å²	139.7	70%	0.695	74%	0.737	S	S	*	*			cis	-155.3	161	16.1	-105.9	-4	0	0	0	111.2
1294	I	30.2	Very low	27.7	Very low	119 Å²	119	137.1 Å²	137.1	61%	0.61	73%	0.732	S	S	*	*			cis	-166.1	147.1	-15.8	-154.7	173.8	0	0	0	111.9
1295	Q	28.8	Very low	27.4	Very low	157 Å²	157	139.6 Å²	139.6	73%	0.734	74%	0.737	S	S	*	*			trans	58.4	152.8	147.9	-85.3	163.5	-15.2	0	0	126.5
1296	N	27.7	Very low	27	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	73%	0.73	S	S	*	*			trans	73.3	116	164.6	-61	1.7	0	0	0	118.4
1297	E	28.7	Very low	26.8	Very low	166 Å²	166	134.8 Å²	134.8	78%	0.776	73%	0.73	S	S	*	*				82.6	140.3	57.6	-77.8	-165.4	-141.7	0	0	113.5
1298	N	29.2	Very low	27	Very low	123 Å²	123	132.8 Å²	132.8	66%	0.658	72%	0.72	S	S	*	*			cis	-160.5	141.8	-2.3	-131.6	-41.6	0	0	0	107.2
1299	M	28.1	Very low	26.6	Very low	178 Å²	178	133.1 Å²	133.1	88%	0.877	72%	0.716	S	S	*	*				156.8	152.5	87.8	-103.2	-93.3	-82	0	0	111
1300	G	27.7	Very low	26.9	Very low	60 Å²	60	132.7 Å²	132.7	62%	0.619	71%	0.712	S	S	*	*			trans	103.5	98.8	143.9	0	0	0	0	0	122.8
1301	N	28.4	Very low	26.9	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	71%	0.711	S	S	*	*			trans	62.4	142.8	141.8	-58	-2.1	0	0	0	121
1302	H	29.8	Very low	26.9	Very low	181 Å²	181	132.8 Å²	132.8	84%	0.838	71%	0.709	S	S	*	*			cis	-159	179.9	-16.1	-134.7	-95.2	0	0	0	109.6
1303	S	24.4	Very low	27	Very low	95 Å²	95	132.5 Å²	132.5	66%	0.664	71%	0.708	S	S	*	*			trans	-137.6	155.5	-175	-167.3	0	0	0	0	115.4
1304	L	22.9	Very low	27	Very low	141 Å²	141	131.5 Å²	131.5	74%	0.738	70%	0.702	S	S	*	*			trans	33.9	123.9	159.7	-75.9	164.3	0	0	0	122.4
1305	L	22.6	Very low	27	Very low	153 Å²	153	131.6 Å²	131.6	80%	0.801	70%	0.704	S	S	*	*			trans	64.6	147.3	146	-63.9	167	0	0	0	117.7
1306	S	23	Very low	27.1	Very low	90 Å²	90	130.1 Å²	130.1	63%	0.629	70%	0.701	S	S	*	*			cis	-164.8	170.9	-3.3	-135.2	0	0	0	0	112.1
1307	I	25.3	Very low	27.2	Very low	140 Å²	140	128.4 Å²	128.4	72%	0.718	70%	0.699	S	S	*	*			trans	77.9	118	148.9	-74	164.6	0	0	0	120.5
1308	N	25.3	Very low	27.2	Very low	130 Å²	130	126.1 Å²	126.1	70%	0.695	69%	0.693	S	S	*	*			trans	61.5	151.8	146.7	-66.1	40.6	0	0	0	120.5
1309	D	25.1	Very low	27.2	Very low	113 Å²	113	125.9 Å²	125.9	60%	0.604	69%	0.691	S	S	*	*			cis	-154	172.6	-0.5	-137.1	-53.4	0	0	0	112.3
1310	H	29.7	Very low	27.3	Very low	151 Å²	151	123.4 Å²	123.4	70%	0.699	68%	0.681	S	S	*	*			trans	68.3	152.1	155	-78.5	23.9	0	0	0	120.3
1311	N	25.2	Very low	27.2	Very low	116 Å²	116	127.6 Å²	127.6	62%	0.62	69%	0.687	S	S	*	*			cis	-168	162.2	-34.4	-139.5	-18.1	0	0	0	109.7
1312	N	26.7	Very low	27.4	Very low	132 Å²	132	127.1 Å²	127.1	71%	0.706	68%	0.683	S	S	*	*			trans	62.8	143.7	163.6	-69	-5.3	0	0	0	116.4
1313	N	29.1	Very low	27.3	Very low	125 Å²	125	126.3 Å²	126.3	67%	0.668	68%	0.677	S	S	*	*			cis	-148.5	164.9	11.2	-95.1	-22.7	0	0	0	107.1
1314	N	29.6	Very low	27.6	Very low	109 Å²	109	130.3 Å²	130.3	58%	0.583	68%	0.682	S	S	*	*			cis	-162.3	152.4	5.3	-121.1	-15.1	0	0	0	108.5
1315	N	30	Very low	27.9	Very low	121 Å²	121	129 Å²	129	65%	0.647	68%	0.676	S	S	*	*			trans	54.7	146	138.9	-57.5	-9.2	0	0	0	120.7
1316	N	29.9	Very low	28.3	Very low	126 Å²	126	127 Å²	127	67%	0.674	67%	0.674	S	S	*	*			cis	-166.6	154.2	-5.5	-115.9	-0.8	0	0	0	109.3
1317	S	30.6	Very low	28.7	Very low	93 Å²	93	129 Å²	129	65%	0.65	68%	0.676	S	S	*	*			trans	66.5	155.9	139.5	-65.2	0	0	0	0	120.5
1318	N	27.8	Very low	29.1	Very low	119 Å²	119	131 Å²	131	64%	0.636	68%	0.682	S	S	*	*			cis	-159.9	164.4	-15.6	-116.8	34.4	0	0	0	110.6
1319	D	30.1	Very low	29.3	Very low	117 Å²	117	131.5 Å²	131.5	63%	0.626	69%	0.685	S	S	*	*			trans	67.6	131.3	137.7	-63.1	-14.3	0	0	0	125
1320	N	30.4	Very low	29.5	Very low	126 Å²	126	130.8 Å²	130.8	67%	0.674	69%	0.689	S	S	*	*			trans	76	125.6	144.3	-61.6	-26	0	0	0	118.4
1321	M	25.3	Very low	29.4	Very low	148 Å²	148	128.8 Å²	128.8	73%	0.729	69%	0.692	S	S	*	*				64.4	136.3	56.4	-59	178.2	58.5	0	0	111.2
1322	I	32.2	Very low	29.4	Very low	144 Å²	144	131.2 Å²	131.2	74%	0.738	70%	0.704	S	S	*	*			cis	-143.8	145.1	41.4	-71.8	171	0	0	0	112.2
1323	K	28.7	Very low	29.9	Very low	163 Å²	163	130.7 Å²	130.7	71%	0.709	71%	0.708	S	S	*	*			trans	7.2	148.4	145.5	-48.4	179.6	-178.7	-177.2	0	118.2
1324	K	31.2	Very low	30	Very low	179 Å²	179	128.3 Å²	128.3	78%	0.778	71%	0.712	S	S	*	*				-169	132.3	55.9	-147	169.2	-175.4	-174.4	0	114.1
1325	D	28.6	Very low	30.2	Very low	113 Å²	113	129.4 Å²	129.4	60%	0.604	72%	0.723	S	S	*	*				21.1	137.5	129	-28.3	-40.5	0	0	0	118.1
1326	C	31	Very low	30.1	Very low	113 Å²	113	131.6 Å²	131.6	76%	0.764	73%	0.734	S	S	*	*			cis	-139.7	146.5	41.2	-72.9	0	0	0	0	112
1327	I	32	Very low	30.4	Very low	130 Å²	130	130.3 Å²	130.3	67%	0.667	73%	0.733	S	S	*	*				68	124	63.1	-61.7	164.3	0	0	0	110.5
1328	E	31.7	Very low	30.4	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	74%	0.738	S	S	*	*			cis	-154.8	177.8	16.3	-143.9	158.4	-107.8	0	0	110.2
1329	D	29.5	Very low	30.4	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	75%	0.747	S	S	*	*				-154	175.2	-70.5	-175.9	41	0	0	0	110.7
1330	S	29.3	Very low	30.3	Very low	99 Å²	99	136.6 Å²	136.6	69%	0.692	76%	0.755	S	S	*	*			trans	80.8	154.3	161.2	83.8	0	0	0	0	119.8
1331	S	27.7	Very low	30.5	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	76%	0.757	S	S	*	*			cis	-164.6	152.1	-44.5	55.8	0	0	0	0	111.1
1332	L	25.3	Very low	30.7	Very low	166 Å²	166	133.2 Å²	133.2	87%	0.869	76%	0.756	S	S	*	*			trans	-122	174.6	168.4	-108	79.8	0	0	0	108.2
1333	P	38.9	Very low	30.6	Very low	122 Å²	122	132.9 Å²	132.9	79%	0.792	76%	0.761	S	S	*	*			cis	-132.9	-169.8	-36	38.7	-21.5	0	0	0	111.8
1334	G	29.8	Very low	30.7	Very low	74 Å²	74	129.3 Å²	129.3	76%	0.763	76%	0.762	S	S	*	*			trans	-175.4	148.9	166.5	0	0	0	0	0	115.4
1335	T	34.4	Very low	30.7	Very low	132 Å²	132	125 Å²	125	81%	0.81	76%	0.76	S	S	*	*			trans	-136.7	118.1	-173.6	53	0	0	0	0	114.9
1336	L	27.8	Very low	30.7	Very low	167 Å²	167	127.7 Å²	127.7	87%	0.874	77%	0.771	S	S	*	*			trans	64.9	163.8	151	-66.4	173.4	0	0	0	118.4
1337	P	36.7	Very low	30.5	Very low	100 Å²	100	127.8 Å²	127.8	65%	0.649	77%	0.767	S	S	*	*			cis	-136.9	171.4	-23.3	33.5	-14.1	0	0	0	116.5
1338	I	30.9	Very low	30.6	Very low	147 Å²	147	127 Å²	127	75%	0.754	77%	0.769	S	S	*	*			trans	76.6	122.1	144.3	-77.1	158.9	0	0	0	121.5
1339	W	27.1	Very low	30.5	Very low	217 Å²	217	124.2 Å²	124.2	82%	0.822	77%	0.765	S	S	*	*			trans	46.1	145.5	153	93.8	-34.7	0	0	0	125.5
1340	A	29	Very low	30.5	Very low	96 Å²	96	125.7 Å²	125.7	79%	0.793	77%	0.769	S	S	*	*			trans	-152.4	132	153.2	0	0	0	0	0	111.1
1341	T	32.7	Very low	30.5	Very low	116 Å²	116	127 Å²	127	71%	0.712	77%	0.768	S	S	*	*			trans	-160.9	156.7	177	45.9	0	0	0	0	107.8
1342	A	30.9	Very low	30.5	Very low	87 Å²	87	128.1 Å²	128.1	72%	0.719	77%	0.766	S	S	*	*			cis	-134.4	-147.2	6.1	0	0	0	0	0	109.4
1343	T	30.5	Very low	30.6	Very low	137 Å²	137	125.4 Å²	125.4	84%	0.84	76%	0.756	S	S	*	*			cis	-166.7	163.5	28.9	-14.9	0	0	0	0	107.2
1344	A	29.3	Very low	30.2	Very low	89 Å²	89	128.9 Å²	128.9	74%	0.736	76%	0.759	S	S	*	*			cis	-142.3	-153.2	4.5	0	0	0	0	0	108.1
1345	A	30.8	Very low	30.1	Very low	88 Å²	88	134 Å²	134	73%	0.727	76%	0.76	S	S	*	*			cis	-160	-174.1	2.2	0	0	0	0	0	107.7
1346	M	28.5	Very low	29.6	Very low	169 Å²	169	134 Å²	134	83%	0.833	75%	0.752	S	S	*	*			cis	-155.2	124.6	-4.1	-153.4	164.8	177.9	0	0	111.2
1347	V	28	Very low	29.6	Very low	115 Å²	115	133.3 Å²	133.3	70%	0.697	75%	0.745	S	S	*	*			trans	50.3	140.8	140.9	-172.9	0	0	0	0	122.5
1348	T	33.1	Very low	29.1	Very low	114 Å²	114	133.2 Å²	133.2	70%	0.699	75%	0.746	S	S	*	*			trans	77.5	92	161.8	35.4	0	0	0	0	122.9
1349	T	30.1	Very low	29	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	75%	0.749	S	S	*	*				59	141.3	116.8	56.1	0	0	0	0	125.1
1350	M	29.1	Very low	29	Very low	172 Å²	172	128 Å²	128	85%	0.847	74%	0.741	S	S	*	*			trans	94.4	117.7	148.9	-81.6	-178.7	173	0	0	121.8
1351	N	29.7	Very low	28.8	Very low	125 Å²	125	128.8 Å²	128.8	67%	0.668	74%	0.741	S	S	*	*			trans	64.9	125.5	132.9	-75.1	50.7	0	0	0	124.7
1352	D	27.6	Very low	28.8	Very low	134 Å²	134	127.4 Å²	127.4	72%	0.717	74%	0.737	S	S	*	*				93.2	132.1	124.5	-81.5	-41.4	0	0	0	124.8
1353	V	28.2	Very low	28.5	Very low	109 Å²	109	130.4 Å²	130.4	66%	0.661	74%	0.739	S	S	*	*			trans	87.5	112.6	133.3	164.6	0	0	0	0	122.5
1354	K	30.2	Very low	28.3	Very low	195 Å²	195	130.9 Å²	130.9	85%	0.848	73%	0.729	S	S	*	*			trans	73.7	130.2	142.9	-73	172.2	-164.9	169.4	0	124
1355	K	28	Very low	28.1	Very low	181 Å²	181	133.7 Å²	133.7	79%	0.787	73%	0.73	S	S	*	*			trans	-37.1	155.7	153.4	-99.8	176.2	159.2	-167.1	0	117.9
1356	M	24.6	Very low	27.9	Very low	133 Å²	133	135.5 Å²	135.5	66%	0.655	73%	0.728	S	S	*	*			trans	71.8	145.2	146.6	-68.7	163.8	78.7	0	0	116
1357	E	26.2	Very low	27.8	Very low	152 Å²	152	133 Å²	133	71%	0.71	73%	0.726	S	S	*	*			cis	-162.1	161.7	-0.2	-133.2	169	-178	0	0	114.1
1358	S	26.4	Very low	27.9	Very low	98 Å²	98	132.5 Å²	132.5	69%	0.685	73%	0.728	S	S	*	*			trans	76.6	168.5	143.3	78.1	0	0	0	0	122.4
1359	I	30	Very low	28.1	Very low	158 Å²	158	132.8 Å²	132.8	81%	0.81	73%	0.734	S	S	*	*			trans	75.6	135.8	170.8	-55.2	173.1	0	0	0	116.8
1360	S	25.8	Very low	28.2	Very low	95 Å²	95	135 Å²	135	66%	0.664	74%	0.736	S	S	*	*				-171.3	147.6	-62.9	50.7	0	0	0	0	111.3
1361	S	25.9	Very low	28.5	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	73%	0.73	S	S	*	*			trans	68	164.8	169.5	95.1	0	0	0	0	115.1
1362	S	31.3	Very low	28.9	Very low	88 Å²	88	132.2 Å²	132.2	62%	0.615	74%	0.736	S	S	*	*			cis	-151.2	141.6	5.3	-86.4	0	0	0	0	111.5
1363	I	24.9	Very low	29.7	Very low	149 Å²	149	139.3 Å²	139.3	76%	0.764	76%	0.761	S	S	*	*			trans	61.7	150.3	133.2	-65.3	168.4	0	0	0	120.8
1364	K	26.8	Very low	29.8	Very low	147 Å²	147	140.8 Å²	140.8	64%	0.639	77%	0.766	S	S	*	*			trans	70.2	138.1	170.5	-81	167.5	157.5	-104.8	0	115.4	D1366	K1364-D1366 IonicContact NZ-OD1 2.82Å; K1364-D1366 PolarHBondContact NZ-OD1 2.73Å; K1364-D1366 IonicContact NZ-OD2 2.73Å; K1364-D1366 PolarHBondContact NZ-OD2 2.98Å
1365	I	25.5	Very low	29.7	Very low	148 Å²	148	137.9 Å²	137.9	76%	0.759	76%	0.761	S	S	*	*			cis	57.2	100.9	17	-45.5	176.2	0	0	0	114.2
1366	D	27.4	Very low	29.8	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	76%	0.76	S	S	*	*			trans	-143.1	143.7	144.6	-84.9	-49.6	0	0	0	109.4	K1364	K1364-D1366 IonicContact NZ-OD1 2.82Å; K1364-D1366 PolarHBondContact NZ-OD1 2.73Å; K1364-D1366 IonicContact NZ-OD2 2.73Å; K1364-D1366 PolarHBondContact NZ-OD2 2.98Å
1367	C	25.6	Very low	30.2	Very low	116 Å²	116	135.7 Å²	135.7	78%	0.784	77%	0.766	S	S	*	*			trans	-109.4	155.2	168.6	-54.7	0	0	0	0	107.6
1368	S	30.1	Very low	30.4	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	77%	0.77	S	S	*	*			trans	176	126.9	145.2	35.5	0	0	0	0	113.9
1369	S	36.8	Very low	30.7	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	78%	0.775	S	S	*	*				-142.7	134.7	98.3	52.4	0	0	0	0	107
1370	E	32.6	Very low	30.7	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	77%	0.773	S	S	*	*			cis	103	142.4	17.6	-164.6	167.9	-125.3	0	0	114.3
1371	C	34.1	Very low	31.1	Very low	106 Å²	106	138.8 Å²	138.8	72%	0.716	78%	0.781	S	S	*	*			trans	80.1	116	178	-73.5	0	0	0	0	120.8
1372	T	39.2	Very low	31.5	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	78%	0.78	S	S	*	*			trans	65.8	87.8	140.2	60.3	0	0	0	0	120.8
1373	K	44	Very low	31.6	Very low	283 Å²	283	145.7 Å²	145.7	100%	1.23	80%	0.795	S	S	*	*				-165.1	0	91	-108.3	-177.7	179	179.6	0	112.6

Retrieved 1,373 of 1,373 residues in 1211.9 ms (Link to these results)

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