A0A3Q0KQ59_SCHMA Loading...

Putative sumo ligase

AlphaFold DB , UniProt , Accession A0A3Q0KQ59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,264 aa.

						>A0A3Q0KQ59_SCHMA|A0A3Q0KQ59
MSTPNLPNGNIRSGLPFELCRSDYSLPIPVISQASPLVSVPRNVFNAYPSSTQSRGSNVLQKPTVSNSTSNFSLVTTSNIAQSNANTFANYPAFNSIFQTLLRGTNPSQVTISPPNVSGYVNTVAGPNGNLFTGFRPTQLSYQPNIRITAPGIISSGSTHGTVNSVALRSTNYTTRNSVISTSTCTTTATTTCNSLTTSRTANPSVESLFVSSNLVPVSDSINRTQKLGATAFLRWAEACTRSFRKERISVWPRCKADSDALHEMNWIISPPGLLGIYSESPFLRPVVLLRRVQFTAPGNVNPNIPDTDNMVRSLREMADAKVTKYPGFAPQFPPSAASVGFTTDYMTYVFTLELERQVVKLLRPKTGDHSEWRVVLRLGWATTDFYVPSNVSSNASSRRALVLEALPRCLSIRVSGRPVPLPDPIFHGGQAQRLGKRLRLSIDITDKVLLKCGSAVRNRVVDIELTWLHAPLEDQSVGLLNLVADGLVSPLLCHLIGLPLVQVTLDRAYSVSDLRNTFNLDNPEAHKNFINGPFLDPIEFPSLTVNADGSGTLKDHGVFGAYDNCLPPTFSLPADDTKHELKSRLQKSSNDSDLCIEDGDVELADYIPVCLLCPLTRTRIDLPVRSFNCSHLQCFDLHSYLTINMRRPRWSCPICSISAPFRDLRVDEFFMSILKNPRSVDVEFVQLDGNGDWHLNNPNDVSPNSSFITESNQAKSEQRNVEEVKASITLEKHDAPNEKSKLTTDKSNESETNTVDVNNTHMDTTEQVTNDNQNNTISNNNHYQLEPEVIILSDDDDDDNDNNTKEAETNVQNDSNDKSVNQCPQNVDKLKTTCNNSQKNDVNNGFPCLKEKSTISSNTQSTRTFTLEIDLTNDDSDSSSLCEPNNRILEAPFTTDHIVPTNDIQQSDLSSDFIRTRDEIRFGNKGPLIVISPLPSISIPNSLSGSTEENDLNSHLDEFTTIRNELTVDPKQISRADSNWPPGLVQTMLRTSNSSFNNINQFDINDSKSAFYQRLLEVTAHRVNQTMLKRNSHISLKDNEKLLYNKALSLAFDGGGSKRKGTSTRPNNNKVNSRPKTSKKVLTSDSEDEFPDKPCSIASSSTSTGRRNAHIIKQQQAAALARLIQERSTRIRSTSEASNEQNQKGIENLPSTSSTSKKVKSKKNSVIAQSNKKRPIRKRPRRRRPSNISDDSDSSSQSLYTSEMSCVSTSEPSNDSSFVSSSQCTDEDDDLSIDSFSSDDRWSPSQVSLNRKQKTKRKPKVRR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	32.8	Very low	235 Å²	235	144.9 Å²	144.9	100%	1.158	84%	0.843	S	S	*	*				0	97.2	0	-70.3	168	174.6	0	0	106.6
2	S	30.4	Very low	32.4	Very low	95 Å²	95	152.3 Å²	152.3	66%	0.664	85%	0.846	S	S	*	*				72.5	76	79.7	65.3	0	0	0	0	111.7
3	T	29.6	Very low	32.2	Very low	136 Å²	136	150.1 Å²	150.1	83%	0.834	85%	0.847	S	S	*	*				80.4	149.1	86.5	57.8	0	0	0	0	113.4
4	P	41.5	Very low	32.3	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	85%	0.846	S	S	*	*			trans	-113.9	-171.4	-130.5	41.7	-35.2	0	0	0	114.1
5	N	34.4	Very low	32.2	Very low	163 Å²	163	146.9 Å²	146.9	87%	0.872	85%	0.85	S	S	*	*			trans	-173.5	154.9	136.2	-93.9	-29.3	0	0	0	114.3
6	L	30	Very low	32.3	Very low	163 Å²	163	143.8 Å²	143.8	85%	0.853	84%	0.836	S	S	*	*			trans	-84.3	-176.9	161.9	-75.7	122.1	0	0	0	109.8
7	P	36.4	Very low	32.3	Very low	103 Å²	103	146.5 Å²	146.5	67%	0.669	84%	0.836	S	S	*	*			cis	-137.4	-177.5	4.7	41.7	-22.9	0	0	0	116.5
8	N	29.4	Very low	32	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	83%	0.831	S	S	*	*			trans	45.2	119.7	148	-62.6	-1.5	0	0	0	121.6
9	G	32.3	Very low	31.9	Very low	79 Å²	79	147.3 Å²	147.3	81%	0.814	83%	0.828	S	S	*	*			trans	-171.1	113.7	159.3	0	0	0	0	0	112.9
10	N	27.8	Very low	31.8	Very low	166 Å²	166	143.4 Å²	143.4	89%	0.888	81%	0.809	S	S	*	*			trans	-73.4	144.7	176.3	-72.9	-29.2	0	0	0	111.9
11	I	31.9	Very low	31.6	Very low	181 Å²	181	145.2 Å²	145.2	93%	0.928	80%	0.804	S	S	*	*			trans	-167.3	162.1	134.3	-100.2	152.3	0	0	0	109.6
12	R	28.6	Very low	31.4	Very low	234 Å²	234	138.8 Å²	138.8	88%	0.883	78%	0.782	S	S	*	*			trans	-125.2	166.4	-154.1	-172.9	-176.5	-177.8	-155.2	3.9	112.8
13	S	29.1	Very low	31.3	Very low	123 Å²	123	140 Å²	140	86%	0.86	78%	0.781	S	S	*	*			trans	99.9	139.1	157.7	77.7	0	0	0	0	118.1
14	G	33.7	Very low	31.4	Very low	81 Å²	81	142.5 Å²	142.5	84%	0.835	78%	0.776	S	S	*	*			trans	154.4	45.9	-175.3	0	0	0	0	0	116.1
15	L	31.2	Very low	30.8	Very low	172 Å²	172	142.8 Å²	142.8	90%	0.901	78%	0.781	S	S	*	*			trans	-84.7	-176.2	169.2	-78.5	167	0	0	0	110.4
16	P	34.6	Very low	30.6	Very low	96 Å²	96	141.7 Å²	141.7	62%	0.623	77%	0.774	S	S	*	*			cis	-118.9	-171.9	-3.4	8.8	19.9	0	0	0	112.8
17	F	31.3	Very low	30.4	Very low	191 Å²	191	139.6 Å²	139.6	84%	0.838	77%	0.771	S	S	*	*			cis	-155.1	157.1	49.7	-98.7	-90.2	0	0	0	115.5
18	E	27.6	Very low	30.1	Very low	160 Å²	160	141.8 Å²	141.8	75%	0.748	78%	0.775	S	S	*	*			trans	-100.5	170.2	172.6	-60.2	179.1	110.2	0	0	112.1
19	L	29.3	Very low	30	Very low	148 Å²	148	139.6 Å²	139.6	78%	0.775	77%	0.77	S	S	*	*			trans	164.4	142.5	133.4	-87.8	167.2	0	0	0	109.2
20	C	31.2	Very low	29.7	Very low	68 Å²	68	141.4 Å²	141.4	46%	0.459	77%	0.765	S	S	.	*			cis	-123.8	160.8	-0.6	-67.8	0	0	0	0	111.9	E959	C20-E959 PolarHBondContact SG-OE1 3.24Å
21	R	27.2	Very low	29.7	Very low	183 Å²	183	141.7 Å²	141.7	69%	0.691	76%	0.764	S	S	*	*			trans	-78.4	164.5	150.8	-84.1	178.1	157.4	86.8	-3.1	109.8
22	S	32.9	Very low	29.5	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	74%	0.744	S	S	*	*			trans	-150.6	96.6	148.6	61.1	0	0	0	0	109.2
23	D	28.2	Very low	29.4	Very low	121 Å²	121	132.9 Å²	132.9	65%	0.647	74%	0.737	S	S	*	*			trans	-73.3	129.5	176.6	-60.4	-77.6	0	0	0	110.2
24	Y	30.6	Very low	29.4	Very low	189 Å²	189	130.9 Å²	130.9	74%	0.741	73%	0.728	S	S	*	*			trans	-133	78	168.5	-93.4	-68.5	0	0	0	111.1	L26	Y24-L26 PolarHBondContact O-N 3.06Å
25	S	29.1	Very low	29.1	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	73%	0.725	S	S	*	*			trans	-69.9	115.3	161	-60.4	0	0	0	0	109.2
26	L	29.5	Very low	29.1	Very low	141 Å²	141	130 Å²	130	74%	0.738	72%	0.72	S	S	*	*			trans	-128.2	146.8	165.4	-76.3	177.7	0	0	0	109.5	Y24 I28	Y24-L26 PolarHBondContact O-N 3.06Å; L26-I28 PolarHBondContact O-N 3.46Å
27	P	26.9	Very low	28.7	Very low	119 Å²	119	133.9 Å²	133.9	77%	0.773	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-73.2	132	-158.5	27	-35.1	0	0	0	113.1	P29	P27-P29 WeakPolarHBondContact O-CD 3.28Å
28	I	29.9	Very low	28.5	Very low	148 Å²	148	131.6 Å²	131.6	76%	0.759	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-79.6	119.3	162.1	-60.9	174.3	0	0	0	106.9	L26 V30	L26-I28 PolarHBondContact O-N 3.46Å; I28-V30 PolarHBondContact O-N 3.44Å
29	P	27.2	Very low	28.4	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-66.5	117.2	167.4	26	-29.6	0	0	0	108.6	P27 I31	P27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-I31 PolarHBondContact O-N 3.22Å
30	V	25.7	Very low	28.5	Very low	117 Å²	117	127.3 Å²	127.3	71%	0.709	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-67.2	119	-175.4	176.7	0	0	0	0	110.4	I28	I28-V30 PolarHBondContact O-N 3.44Å
31	I	28.5	Very low	28.7	Very low	171 Å²	171	129.4 Å²	129.4	88%	0.877	75%	0.745	S	S	*	*			trans	-123.6	92.4	150.6	-57.7	-178.3	0	0	0	106.1	P29	P29-I31 PolarHBondContact O-N 3.22Å
32	S	26.6	Very low	28.8	Very low	72 Å²	72	129.3 Å²	129.3	50%	0.503	75%	0.745	S	S	.	*			trans	-102.4	160.7	171.6	-169.8	0	0	0	0	108.9
33	Q	27.9	Very low	28.6	Very low	159 Å²	159	131.3 Å²	131.3	74%	0.743	75%	0.747	S	S	*	*			trans	69.4	146.5	172.3	-52.3	-169.2	21.8	0	0	115.8
34	A	28.8	Very low	28.8	Very low	81 Å²	81	132.4 Å²	132.4	67%	0.669	76%	0.758	S	S	*	*			cis	-160.1	166.4	-15.8	0	0	0	0	0	111.9
35	S	27.5	Very low	28.6	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	76%	0.758	S	S	*	*			trans	27.6	146.7	144	-55	0	0	0	0	123.1
36	P	30.5	Very low	28.7	Very low	123 Å²	123	133.1 Å²	133.1	80%	0.799	76%	0.758	S	S	*	*			trans	-84.9	119.4	-172.6	33.6	-34.6	0	0	0	114
37	L	26.3	Very low	28.6	Very low	179 Å²	179	130.2 Å²	130.2	94%	0.937	75%	0.754	S	S	*	*			trans	-142	147.3	160	-80.2	-178	0	0	0	112.3
38	V	26.8	Very low	28.7	Very low	143 Å²	143	135 Å²	135	87%	0.867	76%	0.758	S	S	*	*			trans	-84.7	127.9	-175.8	174	0	0	0	0	111.6
39	S	26.7	Very low	28.8	Very low	116 Å²	116	133.5 Å²	133.5	81%	0.811	76%	0.758	S	S	*	*			trans	-171.7	147.9	141.4	40.9	0	0	0	0	114
40	V	31.9	Very low	28.9	Very low	102 Å²	102	133.4 Å²	133.4	62%	0.618	76%	0.76	S	S	*	*			trans	-124.7	136.4	-178.9	164.5	0	0	0	0	107
41	P	34.5	Very low	29.1	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	76%	0.76	S	S	*	*				-156.8	141.8	110.7	37	-16.5	0	0	0	119.9
42	R	28.4	Very low	29.1	Very low	181 Å²	181	129.9 Å²	129.9	68%	0.683	75%	0.752	S	S	*	*			trans	60	107.6	133.8	-65.7	-177.4	175.2	158.3	3.7	122.1	T805	R42-T805 PolarHBondContact NH2-OG1 3.29Å
43	N	29.6	Very low	29.1	Very low	140 Å²	140	135.1 Å²	135.1	75%	0.749	77%	0.768	S	S	*	*				20	129.3	115	-74	-29.7	0	0	0	119.9
44	V	31.8	Very low	29.1	Very low	145 Å²	145	132 Å²	132	88%	0.879	76%	0.764	S	S	*	*			trans	-126.5	119.9	142.7	177.4	0	0	0	0	109.4
45	F	27.4	Very low	29	Very low	168 Å²	168	140.1 Å²	140.1	74%	0.737	78%	0.777	S	S	*	*			trans	-82.3	149.9	171.2	-106.4	-103.8	0	0	0	111
46	N	30.8	Very low	29	Very low	152 Å²	152	138.3 Å²	138.3	81%	0.813	78%	0.776	S	S	*	*			trans	-156.3	136.5	137.4	-113.8	-37.2	0	0	0	111.7
47	A	26.9	Very low	28.9	Very low	79 Å²	79	137.2 Å²	137.2	65%	0.653	77%	0.771	S	S	*	*			trans	-145.6	140.9	178.2	0	0	0	0	0	109.7
48	Y	30.2	Very low	28.9	Very low	219 Å²	219	136 Å²	136	86%	0.859	77%	0.766	S	S	*	*			trans	-137.3	152.7	171.4	-93.5	-88.4	0	0	0	111.7
49	P	31.4	Very low	28.9	Very low	118 Å²	118	134.5 Å²	134.5	77%	0.766	76%	0.757	S	S	*	*			trans	-117.3	-179.6	-153.4	42.1	-31.6	0	0	0	116.5
50	S	29.9	Very low	28.9	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	75%	0.752	S	S	*	*			trans	-68.9	153.5	-172.8	58.1	0	0	0	0	118.8
51	S	28.7	Very low	28.6	Very low	101 Å²	101	139 Å²	139	71%	0.706	76%	0.762	S	S	*	*			trans	-162.7	105.1	146.2	61	0	0	0	0	112.4
52	T	27.6	Very low	28.2	Very low	114 Å²	114	143.2 Å²	143.2	70%	0.699	77%	0.768	S	S	*	*				81.7	127	94.9	58.2	0	0	0	0	119.5
53	Q	27.5	Very low	28.5	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	77%	0.767	S	S	*	*			trans	70.6	152.8	143.6	-71.9	178.1	49.3	0	0	118.9
54	S	27.6	Very low	28.5	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	76%	0.755	S	S	*	*			cis	-165.4	153.5	-9.7	53.5	0	0	0	0	114
55	R	26.3	Very low	28.4	Very low	251 Å²	251	133.1 Å²	133.1	95%	0.947	73%	0.734	S	S	*	*			trans	43.2	124	143.5	-74.5	-178.1	166.9	-177.7	-4.5	121.8
56	G	27.6	Very low	28.6	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	72%	0.72	S	S	*	*			trans	125.8	140	137.6	0	0	0	0	0	114
57	S	28.9	Very low	28.5	Very low	99 Å²	99	127 Å²	127	69%	0.692	71%	0.714	S	S	*	*			cis	162.5	141.9	-11.8	38.9	0	0	0	0	106
58	N	26.7	Very low	28.7	Very low	155 Å²	155	127.8 Å²	127.8	83%	0.829	72%	0.715	S	S	*	*			trans	72.7	151.8	168	-54.7	-15.7	0	0	0	114.8
59	V	26.9	Very low	28.8	Very low	111 Å²	111	123.7 Å²	123.7	67%	0.673	71%	0.713	S	S	*	*			cis	-165.8	142.2	-3.5	116	0	0	0	0	111.1
60	L	25.5	Very low	28.9	Very low	137 Å²	137	123.1 Å²	123.1	72%	0.717	71%	0.711	S	S	*	*			trans	56.6	165.6	161.4	-84.3	49.1	0	0	0	117.7
61	Q	26.6	Very low	29.1	Very low	176 Å²	176	123.5 Å²	123.5	82%	0.822	71%	0.705	S	S	*	*			cis	-152.6	175.1	-18.4	-126.9	158.6	-8.3	0	0	110.7
62	K	26.4	Very low	29.2	Very low	199 Å²	199	127 Å²	127	87%	0.865	71%	0.707	S	S	*	*			trans	-92.8	-176.3	-179.1	-65.7	-179	165.8	-174.2	0	112.9
63	P	33.6	Very low	29.5	Very low	100 Å²	100	126.6 Å²	126.6	65%	0.649	71%	0.709	S	S	*	*				-145.2	-176.8	-61.2	45.6	-28.2	0	0	0	117
64	T	29.4	Very low	29.6	Very low	81 Å²	81	124.3 Å²	124.3	50%	0.497	70%	0.702	S	S	.	*			trans	73.1	173.5	155.6	66	0	0	0	0	120.2	C1225	T64-C1225 WeakPolarHBondContact CA-O 3.35Å; T64-C1225 WeakPolarHBondContact CB-O 3.46Å; T64-C1225 WeakPolarHBondContact CG2-O 3.45Å
65	V	30.6	Very low	29.7	Very low	73 Å²	73	126.5 Å²	126.5	44%	0.442	71%	0.712	S	S	.	*			cis	-164.6	140.7	22.5	82.6	0	0	0	0	118.9	Q1224 C1225	V65-Q1224 VanDerWaalsContact CG2-O 3.31Å; V65-Q1224 WeakPolarHBondContact CG2-O 3.42Å; V65-C1225 WeakPolarHBondContact CA-O 3.36Å; V65-C1225 HydrophobicContact CG2-CB 4.12Å
66	S	30.4	Very low	30	Very low	63 Å²	63	119.4 Å²	119.4	44%	0.441	70%	0.696	S	S	.	*			trans	102.1	126.8	134.2	71.5	0	0	0	0	127.1
67	N	30.4	Very low	30.2	Very low	129 Å²	129	122 Å²	122	69%	0.69	70%	0.698	S	S	*	*			trans	58	155.3	138	-60.8	-17.4	0	0	0	121.7
68	S	31.1	Very low	30.5	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	70%	0.699	S	S	*	*			cis	-170.3	156.6	25.9	50.7	0	0	0	0	116.2
69	T	31.7	Very low	30.8	Very low	133 Å²	133	120.6 Å²	120.6	82%	0.816	69%	0.691	S	S	*	*			trans	61.4	153.8	151.7	51	0	0	0	0	120.8
70	S	32.9	Very low	31	Very low	105 Å²	105	122 Å²	122	73%	0.734	69%	0.693	S	S	*	*			cis	-174.4	-170.2	-13.5	57.8	0	0	0	0	108.2
71	N	33.7	Very low	31.3	Very low	122 Å²	122	119.2 Å²	119.2	65%	0.652	69%	0.689	S	S	*	*			cis	-168.4	170.7	5	-151.1	-15.8	0	0	0	112.3
72	F	31.6	Very low	31.4	Very low	174 Å²	174	118.4 Å²	118.4	76%	0.763	69%	0.686	S	S	*	*			trans	61.7	153.8	165.6	-73.5	-74	0	0	0	119.9
73	S	33	Very low	31.6	Very low	106 Å²	106	114 Å²	114	74%	0.741	68%	0.679	S	S	*	*			cis	-144.9	179.9	6.3	-156	0	0	0	0	114.9
74	L	29.6	Very low	31.3	Very low	134 Å²	134	115.8 Å²	115.8	70%	0.702	68%	0.684	S	S	*	*			trans	-76.5	166.2	-172.9	-78.1	149.5	0	0	0	114.6	T76	L74-T76 HydrophobicContact CD2-CG2 4.33Å
75	V	31.5	Very low	31.2	Very low	141 Å²	141	116.5 Å²	116.5	86%	0.855	70%	0.698	S	S	*	*				-151.8	147.3	69.7	161.8	0	0	0	0	114
76	T	31.6	Very low	31	Very low	101 Å²	101	120.5 Å²	120.5	62%	0.62	72%	0.717	S	S	*	*			trans	-87.9	179.2	178.4	56.2	0	0	0	0	112	L74	L74-T76 HydrophobicContact CD2-CG2 4.33Å
77	T	32.9	Very low	30.9	Very low	127 Å²	127	123.6 Å²	123.6	78%	0.779	73%	0.733	S	S	*	*			cis	-164.4	-179.7	21.6	-19.3	0	0	0	0	106.1
78	S	34.3	Very low	30.8	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	75%	0.745	S	S	*	*			cis	-164.7	176.4	0.7	79.2	0	0	0	0	107
79	N	32.4	Very low	30.7	Very low	123 Å²	123	126.6 Å²	126.6	66%	0.658	74%	0.742	S	S	*	*			cis	-162.3	-175.1	-9.1	-143.7	-21.3	0	0	0	110.3
80	I	30.9	Very low	30.5	Very low	141 Å²	141	126.8 Å²	126.8	72%	0.723	74%	0.738	S	S	*	*			trans	45.6	116.4	149.7	-62.7	156.6	0	0	0	118.6
81	A	33	Very low	30.2	Very low	78 Å²	78	131.9 Å²	131.9	65%	0.645	74%	0.743	S	S	*	*			cis	-153.3	130.2	-12.8	0	0	0	0	0	106.7
82	Q	28.4	Very low	30.2	Very low	159 Å²	159	131 Å²	131	74%	0.743	74%	0.744	S	S	*	*				59.9	131.5	70.2	-61.9	178.4	3.4	0	0	111.8
83	S	30.4	Very low	30	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	74%	0.74	S	S	*	*			cis	-160.5	170.2	17.9	48.2	0	0	0	0	110.5
84	N	28	Very low	29.6	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	74%	0.743	S	S	*	*			cis	-155	145.8	-24	-99.5	-8.3	0	0	0	107.3
85	A	27	Very low	29.4	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	75%	0.745	S	S	*	*			trans	-84.7	117.7	157.5	0	0	0	0	0	108.4
86	N	26.3	Very low	29.1	Very low	157 Å²	157	129.6 Å²	129.6	84%	0.84	74%	0.744	S	S	*	*			trans	-179.6	137.5	155.7	-98.6	-23.6	0	0	0	111.3
87	T	28.7	Very low	28.9	Very low	128 Å²	128	130 Å²	130	79%	0.785	74%	0.742	S	S	*	*			trans	148.6	80.5	143.7	-57.7	0	0	0	0	108.4
88	F	27.6	Very low	28.4	Very low	213 Å²	213	131.8 Å²	131.8	93%	0.934	74%	0.739	S	S	*	*			trans	-76.5	158.5	152.2	-114.8	-99.3	0	0	0	108.6
89	A	28.3	Very low	28.2	Very low	74 Å²	74	131.1 Å²	131.1	61%	0.612	72%	0.724	S	S	*	*			trans	74.6	155.8	176.2	0	0	0	0	0	118.5
90	N	28.2	Very low	27.9	Very low	138 Å²	138	130 Å²	130	74%	0.738	72%	0.722	S	S	*	*			trans	92.9	106.3	153.7	-72.7	-10.8	0	0	0	122.5
91	Y	27.6	Very low	27.8	Very low	211 Å²	211	131.3 Å²	131.3	83%	0.827	73%	0.73	S	S	*	*			trans	84.6	151.6	143.9	-77.6	-102.8	0	0	0	119.6
92	P	31.8	Very low	27.6	Very low	105 Å²	105	135 Å²	135	68%	0.682	74%	0.738	S	S	*	*			trans	-140.9	-167.2	-135.6	43.1	-22.5	0	0	0	115.7
93	A	28.4	Very low	27.7	Very low	81 Å²	81	139.5 Å²	139.5	67%	0.669	75%	0.748	S	S	*	*			trans	56.6	121.5	142	0	0	0	0	0	122.1
94	F	24.6	Very low	27.8	Very low	186 Å²	186	137.8 Å²	137.8	82%	0.816	75%	0.747	S	S	*	*			trans	80.3	121.8	139.9	-88.6	-109.8	0	0	0	122.5
95	N	25.1	Very low	28	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	75%	0.751	S	S	*	*			trans	56.8	131	138.3	-73	2	0	0	0	124
96	S	25.4	Very low	28.3	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	75%	0.754	S	S	*	*			trans	74.7	155.5	150	-123.7	0	0	0	0	116
97	I	26.6	Very low	28.8	Very low	111 Å²	111	138.6 Å²	138.6	57%	0.569	75%	0.749	S	S	*	*			cis	-128.6	179.5	10.3	-78.5	-178.4	0	0	0	111	E1212	I97-E1212 HydrophobicContact CG2-CG 4.5Å
98	F	24.2	Very low	29	Very low	163 Å²	163	137.7 Å²	137.7	72%	0.715	75%	0.748	S	S	*	*			trans	-119.5	163.2	-176.9	-155.7	-79.2	0	0	0	111.5
99	Q	29	Very low	29.2	Very low	88 Å²	88	136.6 Å²	136.6	41%	0.411	75%	0.746	S	S	.	*			trans	77.5	158.4	-177.1	-47.6	-65.5	4.5	0	0	113.9	S1209	Q99-S1209 PolarHBondContact NE2-OG 3.26Å
100	T	26.9	Very low	29.3	Very low	99 Å²	99	139.6 Å²	139.6	61%	0.607	76%	0.756	S	S	*	*			cis	-144.2	138.6	14.6	-51	0	0	0	0	112.8
101	L	28.5	Very low	29.1	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	76%	0.756	S	S	*	*			trans	-170.8	105.6	139.7	-109.4	170.2	0	0	0	111.8
102	L	27.7	Very low	29.3	Very low	156 Å²	156	136.8 Å²	136.8	82%	0.817	76%	0.759	S	S	*	*			trans	-144.9	129	173	-93.4	173.7	0	0	0	110.2
103	R	31.6	Very low	29.1	Very low	253 Å²	253	136.5 Å²	136.5	96%	0.955	76%	0.759	S	S	*	*			trans	-163	103.8	158.7	-112.9	178.3	-168.8	-160.5	3.1	112.9
104	G	31.1	Very low	29.1	Very low	70 Å²	70	138 Å²	138	72%	0.722	76%	0.762	S	S	*	*			trans	84.5	149.3	150.2	0	0	0	0	0	118.6
105	T	32.9	Very low	29.7	Very low	133 Å²	133	135.3 Å²	135.3	82%	0.816	76%	0.763	S	S	*	*			cis	-157	123.2	-8.4	43.4	0	0	0	0	113
106	N	32.8	Very low	29.8	Very low	161 Å²	161	136.2 Å²	136.2	86%	0.861	77%	0.768	S	S	*	*			trans	61.6	158.9	141.7	-80.6	2.1	0	0	0	123.1
107	P	37.3	Very low	30.1	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	77%	0.772	S	S	*	*			trans	-138	-175.1	-141.7	45.1	-28.3	0	0	0	116.5
108	S	33.9	Very low	30.1	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	78%	0.781	S	S	*	*			trans	-156.8	128.2	152.8	-59.1	0	0	0	0	112.7
109	Q	30.7	Very low	30.4	Very low	189 Å²	189	133.3 Å²	133.3	88%	0.883	78%	0.783	S	S	*	*			trans	32.3	144	136.6	-50.4	179.4	-3.2	0	0	120.5
110	V	30.2	Very low	30.4	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	80%	0.802	S	S	*	*			cis	-143.4	157.4	24.5	177.5	0	0	0	0	111.3
111	T	25	Very low	30.3	Very low	118 Å²	118	140.4 Å²	140.4	72%	0.724	81%	0.809	S	S	*	*			trans	-104.5	141.4	-174.6	-29.2	0	0	0	0	114.8
112	I	31	Very low	30.4	Very low	173 Å²	173	139.3 Å²	139.3	89%	0.887	81%	0.805	S	S	*	*			trans	-143.9	142.7	147.1	-59.2	-173.8	0	0	0	108.5
113	S	28.2	Very low	30.3	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	80%	0.801	S	S	*	*			trans	-116.8	154.8	-168.1	-52.2	0	0	0	0	114.9
114	P	28.8	Very low	30.3	Very low	112 Å²	112	132.2 Å²	132.2	73%	0.727	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-97.2	162.2	174.2	38.4	-34.9	0	0	0	114.1
115	P	36	Very low	30.2	Very low	130 Å²	130	133.8 Å²	133.8	84%	0.844	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-90.4	148.9	172.6	34.9	-33.3	0	0	0	113.9
116	N	28.6	Very low	30.1	Very low	156 Å²	156	130.8 Å²	130.8	83%	0.834	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-92.8	158.1	-176.5	-57.9	-72.3	0	0	0	114
117	V	30.5	Very low	30.1	Very low	152 Å²	152	128.4 Å²	128.4	92%	0.921	79%	0.791	S	S	*	*			trans	-139.3	134.5	132.1	-177.4	0	0	0	0	109.2
118	S	27.5	Very low	29.8	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	80%	0.798	S	S	*	*			trans	-122.2	152.3	172	178.3	0	0	0	0	109.8
119	G	29.7	Very low	29.6	Very low	73 Å²	73	129.5 Å²	129.5	75%	0.753	80%	0.8	S	S	*	*			trans	-154.4	64.4	-165.8	0	0	0	0	0	115.4
120	Y	29.2	Very low	29.5	Very low	210 Å²	210	128.3 Å²	128.3	82%	0.824	80%	0.8	S	S	*	*			trans	2.9	127.9	164.6	-86.8	-94.2	0	0	0	121
121	V	25.6	Very low	29.5	Very low	125 Å²	125	129.9 Å²	129.9	76%	0.758	80%	0.803	S	S	*	*			trans	-75.1	142.9	152.2	174.4	0	0	0	0	109.7
122	N	29.6	Very low	29.5	Very low	147 Å²	147	133.7 Å²	133.7	79%	0.786	81%	0.81	S	S	*	*			trans	-150.4	128.9	158.8	-110.3	-33.3	0	0	0	111.4
123	T	26.7	Very low	29.5	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	81%	0.809	S	S	*	*			trans	-113	117.8	176.6	47.6	0	0	0	0	110.5
124	V	31.8	Very low	29.4	Very low	139 Å²	139	131 Å²	131	84%	0.842	81%	0.812	S	S	*	*			trans	-138.1	134.8	166.8	-173.7	0	0	0	0	108.7
125	A	28.8	Very low	29.3	Very low	103 Å²	103	135.3 Å²	135.3	85%	0.851	82%	0.82	S	S	*	*			trans	-93.4	142.7	175.9	0	0	0	0	0	111.2
126	G	30.6	Very low	28.7	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	82%	0.823	S	S	*	*			trans	-172	120.2	175.4	0	0	0	0	0	111.9
127	P	31.9	Very low	28.8	Very low	112 Å²	112	139 Å²	139	73%	0.727	82%	0.821	S	S	*	*			trans	-88.6	157.8	-179.8	34.1	-34.1	0	0	0	113.2
128	N	30.5	Very low	28.7	Very low	166 Å²	166	137.6 Å²	137.6	89%	0.888	81%	0.813	S	S	*	*			trans	76.9	126.9	172.9	-41.6	-69.4	0	0	0	116.5
129	G	30.5	Very low	28.6	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	82%	0.819	S	S	*	*			trans	148.8	80.9	164.4	0	0	0	0	0	115.3
130	N	28.3	Very low	28.5	Very low	165 Å²	165	145.1 Å²	145.1	88%	0.882	82%	0.821	S	S	*	*			trans	-67.4	131.4	167.8	-75.6	-16.2	0	0	0	110.8
131	L	30.2	Very low	28.3	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	82%	0.82	S	S	*	*			trans	-156.5	120.1	147.6	-113.4	162.1	0	0	0	111.7
132	F	25.9	Very low	28.4	Very low	198 Å²	198	144.5 Å²	144.5	87%	0.868	82%	0.822	S	S	*	*			trans	-74.7	137.5	168.8	-90.7	-114.7	0	0	0	110.4
133	T	31	Very low	28.2	Very low	141 Å²	141	144 Å²	144	87%	0.865	82%	0.815	S	S	*	*			trans	-146.4	144.2	130.2	33.8	0	0	0	0	108.5
134	G	24.9	Very low	28.3	Very low	73 Å²	73	143.9 Å²	143.9	75%	0.753	82%	0.817	S	S	*	*			trans	-101.6	140.9	-170.1	0	0	0	0	0	113.8
135	F	28	Very low	28	Very low	202 Å²	202	142.8 Å²	142.8	89%	0.886	81%	0.806	S	S	*	*			trans	-118.5	141.9	158.1	-88.6	-93.4	0	0	0	109.6
136	R	23.5	Very low	28	Very low	241 Å²	241	144.3 Å²	144.3	91%	0.909	80%	0.799	S	S	*	*			trans	-99.5	115.9	163.6	-81.4	-177.6	171.3	-177.1	-1.5	108.7
137	P	30.6	Very low	27.8	Very low	122 Å²	122	148.6 Å²	148.6	79%	0.792	79%	0.793	S	S	*	*			trans	-86.2	108.4	155	-7.7	26.6	0	0	0	108.6
138	T	27.7	Very low	27.5	Very low	123 Å²	123	150.1 Å²	150.1	76%	0.755	79%	0.793	S	S	*	*			trans	-56.2	142.8	158	37.2	0	0	0	0	111.2
139	Q	25.9	Very low	27.5	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	78%	0.777	S	S	*	*			trans	12.1	110.4	163.1	-61.9	-174.9	2	0	0	118.3
140	L	26.7	Very low	27.3	Very low	152 Å²	152	145.9 Å²	145.9	80%	0.796	77%	0.765	S	S	*	*			trans	-130	129.2	136.2	-96.2	104.9	0	0	0	109.3	Y142	L140-Y142 HydrophobicContact CD2-CE2 4.44Å; L140-Y142 PolarHBondContact O-N 3.21Å
141	S	24.9	Very low	27.4	Very low	115 Å²	115	144 Å²	144	80%	0.804	76%	0.762	S	S	*	*			trans	-84.3	107.6	174	52	0	0	0	0	110.1
142	Y	28	Very low	27.4	Very low	207 Å²	207	138.4 Å²	138.4	81%	0.812	75%	0.745	S	S	*	*			trans	-101.5	106.1	166.9	-102.5	-94.7	0	0	0	109.7	L140	L140-Y142 HydrophobicContact CD2-CE2 4.44Å; L140-Y142 PolarHBondContact O-N 3.21Å
143	Q	26	Very low	27.6	Very low	136 Å²	136	136.6 Å²	136.6	64%	0.636	74%	0.743	S	S	*	*			trans	-97.2	119.7	168.8	-68.9	-160.2	-57.8	0	0	109.9	N145	Q143-N145 PolarHBondContact O-N 2.84Å; Q143-N145 PolarHBondContact OE1-ND2 3.3Å
144	P	28.6	Very low	27.5	Very low	119 Å²	119	137 Å²	137	77%	0.773	74%	0.738	S	S	*	*			trans	-76.8	66.4	163.5	33.9	-33.5	0	0	0	109.5	I146	P144-I146 PolarHBondContact O-N 3.44Å
145	N	25.9	Very low	27.8	Very low	116 Å²	116	139 Å²	139	62%	0.62	74%	0.741	S	S	*	*			trans	-73.1	59.7	175.8	-77.5	-14.5	0	0	0	111.4	Q143 R147	Q143-N145 PolarHBondContact O-N 2.84Å; Q143-N145 PolarHBondContact OE1-ND2 3.3Å; N145-R147 PolarHBondContact O-N 2.73Å
146	I	28.2	Very low	28.1	Very low	135 Å²	135	134.7 Å²	134.7	69%	0.692	74%	0.736	S	S	*	*			trans	-81.6	74.8	165.9	-55	-174.7	0	0	0	107.2	P144 I148	P144-I146 PolarHBondContact O-N 3.44Å; I146-I148 VanDerWaalsContact C-N 3.33Å; I146-I148 HydrophobicContact CG2-CD1 4.3Å; I146-I148 HydrophobicContact CG2-CG1 3.89Å; I146-I148 PolarHBondContact O-N 2.93Å
147	R	26.2	Very low	28.4	Very low	160 Å²	160	127 Å²	127	60%	0.604	73%	0.731	S	S	*	*			trans	-76.1	84.9	176.8	-166.9	-177.9	-153.3	-162.5	5.2	109.2	N145 T149 E354	N145-R147 PolarHBondContact O-N 2.73Å; R147-T149 HydrophobicContact CG-CG2 3.93Å; R147-T149 PolarHBondContact O-N 2.75Å; R147-E354 IonicContact CZ-OE2 3.76Å; R147-E354 IonicContact NE-OE2 3.97Å; R147-E354 VanDerWaalsContact NH2-CD 3.28Å; R147-E354 IonicContact NH2-OE1 3.01Å; R147-E354 PolarHBondContact NH2-OE1 3.01Å; R147-E354 IonicContact NH2-OE2 2.73Å; R147-E354 PolarHBondContact NH2-OE2 3.01Å
148	I	27.1	Very low	28.4	Very low	143 Å²	143	125.9 Å²	125.9	73%	0.733	73%	0.727	S	S	*	*			trans	-75.3	67.8	167.2	-45.9	-174.2	0	0	0	108.8	I146 A150	I146-I148 VanDerWaalsContact C-N 3.33Å; I146-I148 HydrophobicContact CG2-CD1 4.3Å; I146-I148 HydrophobicContact CG2-CG1 3.89Å; I146-I148 PolarHBondContact O-N 2.93Å; I148-A150 PolarHBondContact O-N 2.87Å
149	T	28.5	Very low	28.6	Very low	88 Å²	88	126 Å²	126	54%	0.54	73%	0.728	S	S	.	*			trans	-67	118	159.3	30.7	0	0	0	0	107.9	R147	R147-T149 HydrophobicContact CG-CG2 3.93Å; R147-T149 PolarHBondContact O-N 2.75Å
150	A	28.2	Very low	28.9	Very low	70 Å²	70	126.1 Å²	126.1	58%	0.579	73%	0.728	S	S	*	*			trans	-54.6	144.7	162.1	0	0	0	0	0	109.4	I148 G152	I148-A150 PolarHBondContact O-N 2.87Å; A150-G152 PolarHBondContact O-N 3.38Å
151	P	29.3	Very low	29	Very low	125 Å²	125	122.5 Å²	122.5	81%	0.812	73%	0.727	S	S	*	*			trans	-73.8	88.8	-172.1	29.5	-35.2	0	0	0	111.6	I153	P151-I153 PolarHBondContact O-N 2.88Å
152	G	29.7	Very low	29.2	Very low	53 Å²	53	123.6 Å²	123.6	55%	0.546	73%	0.729	S	S	.	*			trans	-62.5	118	170.6	0	0	0	0	0	111	A150 I154	A150-G152 PolarHBondContact O-N 3.38Å; G152-I154 PolarHBondContact O-N 3.33Å
153	I	31.2	Very low	29.3	Very low	160 Å²	160	119.3 Å²	119.3	82%	0.821	72%	0.724	S	S	*	*			trans	-77	106.8	-177.3	-60.1	176.7	0	0	0	109.3	P151 S155	P151-I153 PolarHBondContact O-N 2.88Å; I153-S155 PolarHBondContact O-N 3.39Å
154	I	29.4	Very low	29.5	Very low	148 Å²	148	119.8 Å²	119.8	76%	0.759	73%	0.731	S	S	*	*			trans	-82.2	110	171	-60.4	176.3	0	0	0	108.6	G152 S156	G152-I154 PolarHBondContact O-N 3.33Å; I154-S156 PolarHBondContact O-N 3.5Å
155	S	31.2	Very low	29.5	Very low	117 Å²	117	119.3 Å²	119.3	82%	0.818	73%	0.73	S	S	*	*			trans	-66.3	112.2	165.8	-63.5	0	0	0	0	109.8	I153	I153-S155 PolarHBondContact O-N 3.39Å
156	S	32.3	Very low	29.7	Very low	111 Å²	111	120 Å²	120	78%	0.776	74%	0.738	S	S	*	*			trans	-108.6	120.8	-177.4	49.9	0	0	0	0	112.5	I154	I154-S156 PolarHBondContact O-N 3.5Å
157	G	31.2	Very low	29.6	Very low	79 Å²	79	116.8 Å²	116.8	81%	0.814	73%	0.732	S	S	*	*			trans	-83.2	114.6	171.8	0	0	0	0	0	111.7
158	S	29.5	Very low	29.8	Very low	99 Å²	99	116.8 Å²	116.8	69%	0.692	74%	0.743	S	S	*	*			trans	-5.7	122.2	162.7	-170	0	0	0	0	118.4
159	T	32.3	Very low	29.8	Very low	126 Å²	126	120.4 Å²	120.4	77%	0.773	75%	0.748	S	S	*	*				-173.2	138.8	103.1	25.4	0	0	0	0	113.9
160	H	31.8	Very low	29.7	Very low	190 Å²	190	121.2 Å²	121.2	88%	0.88	76%	0.757	S	S	*	*			trans	1.4	126.5	167	-64	-89.5	0	0	0	122.2
161	G	30.2	Very low	29.8	Very low	76 Å²	76	123.9 Å²	123.9	78%	0.784	77%	0.766	S	S	*	*			trans	-178.6	98.9	159.7	0	0	0	0	0	113
162	T	27.9	Very low	29.6	Very low	138 Å²	138	125.2 Å²	125.2	85%	0.847	77%	0.766	S	S	*	*			trans	-63	150.2	174.8	39.1	0	0	0	0	111.8
163	V	31	Very low	29.5	Very low	117 Å²	117	133.3 Å²	133.3	71%	0.709	78%	0.782	S	S	*	*				-156.5	146.6	65.8	161.2	0	0	0	0	111.8
164	N	29.1	Very low	29.3	Very low	146 Å²	146	132 Å²	132	78%	0.781	78%	0.782	S	S	*	*			trans	14.3	134.3	157.8	-49.6	-12.5	0	0	0	119
165	S	29.4	Very low	29.3	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	79%	0.785	S	S	*	*			cis	-173.2	-177	3.2	48	0	0	0	0	107.4
166	V	30.3	Very low	29.1	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	79%	0.787	S	S	*	*			cis	-140.4	-178	16.7	-168.1	0	0	0	0	109.1
167	A	26.4	Very low	28.8	Very low	67 Å²	67	138.8 Å²	138.8	55%	0.554	79%	0.789	S	S	*	*			trans	-81.7	170.6	171	0	0	0	0	0	111.9
168	L	30.1	Very low	28.6	Very low	160 Å²	160	140.2 Å²	140.2	84%	0.838	79%	0.787	S	S	*	*			cis	-139.8	122.8	31.2	-63.2	154.7	0	0	0	110.3
169	R	26.6	Very low	28.5	Very low	220 Å²	220	141.5 Å²	141.5	83%	0.83	79%	0.79	S	S	*	*				57.8	98	85.2	-74.1	-167.6	177.1	-168.3	-0.2	113.9
170	S	26.4	Very low	28.2	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	80%	0.796	S	S	*	*				89.1	144.7	94.7	69.6	0	0	0	0	113
171	T	30.6	Very low	28	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	79%	0.788	S	S	*	*			cis	-143.9	165.7	38.5	46.6	0	0	0	0	114.5
172	N	26	Very low	27.7	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	78%	0.78	S	S	*	*			trans	-79	150.4	170	-59.3	-21	0	0	0	111.4
173	Y	28	Very low	27.8	Very low	223 Å²	223	140 Å²	140	88%	0.875	78%	0.78	S	S	*	*			trans	-153.6	136.9	144.6	-111	-74	0	0	0	112
174	T	26.3	Very low	27.6	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	78%	0.778	S	S	*	*			trans	-105.8	116.6	177.3	48.7	0	0	0	0	111.1
175	T	29.4	Very low	27.5	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	78%	0.782	S	S	*	*			trans	-144.9	139.9	166.2	35.5	0	0	0	0	111
176	R	26	Very low	27.4	Very low	231 Å²	231	139 Å²	139	87%	0.872	78%	0.78	S	S	*	*			trans	-73.8	172	169.1	-77.7	178.3	165.5	149.7	-6.2	111.2
177	N	27.6	Very low	27.4	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	78%	0.778	S	S	*	*			trans	89.7	147.3	165	-57.6	-9.3	0	0	0	117.1
178	S	26.1	Very low	27.5	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	79%	0.789	S	S	*	*			trans	-39.4	135.9	172.1	51.8	0	0	0	0	115.9
179	V	28	Very low	27.5	Very low	125 Å²	125	138.8 Å²	138.8	76%	0.758	79%	0.789	S	S	*	*			trans	-160.9	148	132.6	128	0	0	0	0	110.5	S181	V179-S181 PolarHBondContact O-N 3.38Å
180	I	25.8	Very low	27.5	Very low	174 Å²	174	135 Å²	135	89%	0.892	79%	0.791	S	S	*	*			trans	-69.7	117.2	170.6	-62.7	160.9	0	0	0	108.1
181	S	26.2	Very low	27.8	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	80%	0.797	S	S	*	*			trans	-150.7	129.9	170.5	-82.8	0	0	0	0	113	V179	V179-S181 PolarHBondContact O-N 3.38Å
182	T	25.7	Very low	27.6	Very low	100 Å²	100	136.8 Å²	136.8	61%	0.613	80%	0.797	S	S	*	*			trans	-72.4	125.7	178.3	46.5	0	0	0	0	111.9	T184	T182-T184 PolarHBondContact O-N 3.14Å
183	S	29.2	Very low	27.8	Very low	122 Å²	122	135.8 Å²	135.8	85%	0.853	80%	0.801	S	S	*	*			trans	-84.8	101.7	162.9	46.9	0	0	0	0	110.3	C185	S183-C185 PolarHBondContact O-N 2.85Å
184	T	26.9	Very low	27.8	Very low	108 Å²	108	132.6 Å²	132.6	66%	0.663	80%	0.799	S	S	*	*			trans	-74.4	110.5	177.7	-37.9	0	0	0	0	110.3	T182 T186	T182-T184 PolarHBondContact O-N 3.14Å; T184-T186 HydrophobicContact CG2-CG2 3.65Å; T184-T186 PolarHBondContact O-N 3.26Å
185	C	27.3	Very low	27.8	Very low	127 Å²	127	131.6 Å²	131.6	86%	0.858	80%	0.797	S	S	*	*			trans	-83.4	91.6	168.5	-160.8	0	0	0	0	109.3	S183 T187	S183-C185 PolarHBondContact O-N 2.85Å; C185-T187 PolarHBondContact O-N 3.38Å
186	T	26.9	Very low	27.7	Very low	116 Å²	116	132.2 Å²	132.2	71%	0.712	80%	0.795	S	S	*	*			trans	-84.8	106.3	-175.9	47.8	0	0	0	0	112.3	T184	T184-T186 HydrophobicContact CG2-CG2 3.65Å; T184-T186 PolarHBondContact O-N 3.26Å
187	T	29.9	Very low	27.7	Very low	122 Å²	122	128.5 Å²	128.5	75%	0.748	80%	0.798	S	S	*	*			trans	-138.5	81.9	155.8	-38.1	0	0	0	0	111.3	C185	C185-T187 PolarHBondContact O-N 3.38Å
188	T	28.1	Very low	27.8	Very low	130 Å²	130	126.6 Å²	126.6	80%	0.798	79%	0.792	S	S	*	*			trans	35.7	95	151.5	55.7	0	0	0	0	119.8
189	A	30.2	Very low	28.1	Very low	101 Å²	101	126.3 Å²	126.3	84%	0.835	79%	0.79	S	S	*	*			trans	-148.2	100.8	143.1	0	0	0	0	0	108.9
190	T	27.8	Very low	28.5	Very low	140 Å²	140	131.1 Å²	131.1	86%	0.859	79%	0.794	S	S	*	*			trans	-104.9	107.1	-173.5	48.6	0	0	0	0	112.4
191	T	31.6	Very low	29.6	Very low	143 Å²	143	127.7 Å²	127.7	88%	0.877	78%	0.782	S	S	*	*			trans	-138.4	144.6	157.8	-32.2	0	0	0	0	109.4
192	T	27.9	Very low	31.1	Very low	126 Å²	126	127.1 Å²	127.1	77%	0.773	78%	0.783	S	S	*	*			trans	-87.3	124.1	-163.7	47.6	0	0	0	0	114.4
193	C	29.3	Very low	33.1	Very low	132 Å²	132	127 Å²	127	89%	0.892	78%	0.779	S	S	*	*			trans	-131	95.2	154.9	-65.5	0	0	0	0	109.3
194	N	27.7	Very low	35.5	Very low	156 Å²	156	123.1 Å²	123.1	83%	0.834	75%	0.751	S	S	*	*			trans	-74.1	161.7	166.7	-80.9	-19.7	0	0	0	110.2
195	S	26.3	Very low	38.2	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	74%	0.74	S	S	*	*			trans	64.3	84.2	175	-179	0	0	0	0	116.2
196	L	28	Very low	40.9	Very low	148 Å²	148	117.2 Å²	117.2	78%	0.775	71%	0.713	S	S	*	*				-160.9	109.8	119	-125.4	109.2	0	0	0	110.4	T198	L196-T198 HydrophobicContact CD2-CG2 4.15Å; L196-T198 PolarHBondContact O-N 2.81Å
197	T	25.6	Very low	43.5	Very low	153 Å²	153	117.7 Å²	117.7	94%	0.939	71%	0.707	S	S	*	*			trans	-74.9	95.3	178	46.7	0	0	0	0	110.7
198	T	30.4	Very low	46.2	Very low	111 Å²	111	113.8 Å²	113.8	68%	0.681	69%	0.685	S	S	*	*			trans	-116.8	141.3	171.3	47.8	0	0	0	0	109.8	L196 R200	L196-T198 HydrophobicContact CD2-CG2 4.15Å; L196-T198 PolarHBondContact O-N 2.81Å; T198-R200 PolarHBondContact O-N 3Å
199	S	30.8	Very low	49	Very low	105 Å²	105	107.6 Å²	107.6	73%	0.734	65%	0.647	S	S	*	*			trans	-70.2	124.3	-170.8	43	0	0	0	0	111.9	T201	S199-T201 VanDerWaalsContact C-N 3.28Å; S199-T201 PolarHBondContact O-N 3.44Å
200	R	37.7	Very low	51.7	Low	225 Å²	225	103.4 Å²	103.4	85%	0.849	61%	0.61	S	S	*	*			trans	-67	91.9	158.4	-84.5	-177.3	165.4	-178.5	-4.9	108	T198 A202	T198-R200 PolarHBondContact O-N 3Å; R200-A202 PolarHBondContact O-N 3.23Å
201	T	48.8	Very low	54.4	Low	103 Å²	103	100.3 Å²	100.3	63%	0.632	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.5	169.8	50.4	0	0	0	0	109.1	S199	S199-T201 VanDerWaalsContact C-N 3.28Å; S199-T201 PolarHBondContact O-N 3.44Å
202	A	58.4	Low	56.7	Low	91 Å²	91	98.5 Å²	98.5	75%	0.752	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-61.1	148	171.4	0	0	0	0	0	110.3	R200	R200-A202 PolarHBondContact O-N 3.23Å
203	N	67.5	Low	59.3	Low	97 Å²	97	97.3 Å²	97.3	52%	0.519	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-58.3	138.2	170.6	-73.7	5.5	0	0	0	109
204	P	79	Confident	61.9	Low	41 Å²	41	92.8 Å²	92.8	27%	0.266	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-64.5	142.6	178.8	30.7	-37	0	0	0	110	A239	P204-A239 HydrophobicContact CG-CB 3.78Å
205	S	83	Confident	64.5	Low	61 Å²	61	86.1 Å²	86.1	43%	0.427	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-73.7	168	-178.3	81.3	0	0	0	0	112.1	E207 S208 W236	S205-E207 VanDerWaalsContact C-N 3.28Å; S205-E207 WeakPolarHBondContact CB-OE2 3.5Å; S205-E207 PolarHBondContact O-N 2.78Å; S205-E207 PolarHBondContact OG-OE2 3.37Å; S205-S208 WeakPolarHBondContact O-CB 3.34Å; S205-S208 PolarHBondContact O-N 3.22Å; S205-S208 PolarHBondContact O-OG 3.31Å; S205-W236 PolarHBondContact O-NE1 3.37Å
206	V	83.9	Confident	67.2	Low	50 Å²	50	85 Å²	85	30%	0.303	50%	0.5	S	S	.	.	S	Bend	trans	-66.1	-35.1	178.9	175.4	0	0	0	0	111	S208 L209 F210 W236 P271 L274	V206-S208 PolarHBondContact O-N 2.88Å; V206-L209 VanDerWaalsContact O-CB 3.31Å; V206-L209 WeakPolarHBondContact O-CB 3.44Å; V206-L209 PolarHBondContact O-N 3.37Å; V206-L209 VanDerWaalsContact O-N 3.13Å; V206-F210 HydrophobicContact CG1-CE2 4.17Å; V206-W236 HydrophobicContact CG2-CZ2 4.45Å; V206-P271 HydrophobicContact CG2-CG 4.12Å; V206-L274 HydrophobicContact CG1-CD1 3.55Å; V206-L274 HydrophobicContact CG1-CD2 4.16Å; V206-L274 HydrophobicContact CG1-CG 4.33Å
207	E	82	Confident	69.3	Low	126 Å²	126	82.6 Å²	82.6	59%	0.589	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.6	178.5	-54.5	69.9	-148.6	0	0	111.7	S205 L209 F210 V211	S205-E207 VanDerWaalsContact C-N 3.28Å; S205-E207 WeakPolarHBondContact CB-OE2 3.5Å; S205-E207 PolarHBondContact O-N 2.78Å; S205-E207 PolarHBondContact OG-OE2 3.37Å; E207-L209 PolarHBondContact O-N 3.49Å; E207-F210 CarbonylContact O-C 3.47Å; E207-F210 PolarHBondContact O-N 2.98Å; E207-V211 PolarHBondContact O-N 3.08Å
208	S	85.9	Confident	71.3	Confident	39 Å²	39	78 Å²	78	27%	0.273	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-65.2	-21.9	177.7	75.8	0	0	0	0	113.7	S205 V206 F210 N214 W236	S205-S208 WeakPolarHBondContact O-CB 3.34Å; S205-S208 PolarHBondContact O-N 3.22Å; S205-S208 PolarHBondContact O-OG 3.31Å; V206-S208 PolarHBondContact O-N 2.88Å; S208-F210 VanDerWaalsContact C-N 3.32Å; S208-N214 PolarHBondContact O-ND2 3.12Å; S208-W236 PolarHBondContact OG-NE1 2.81Å
209	L	87.9	Confident	72.3	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-68	-34.2	170.6	-176.5	65.7	0	0	0	111.5	V206 E207 N214 L228 F233 W236 L274	V206-L209 VanDerWaalsContact O-CB 3.31Å; V206-L209 WeakPolarHBondContact O-CB 3.44Å; V206-L209 PolarHBondContact O-N 3.37Å; V206-L209 VanDerWaalsContact O-N 3.13Å; E207-L209 PolarHBondContact O-N 3.49Å; L209-N214 WeakPolarHBondContact O-CB 3.22Å; L209-N214 PolarHBondContact O-ND2 2.98Å; L209-L228 HydrophobicContact CD1-CD1 3.99Å; L209-L228 HydrophobicContact CD1-CD2 3.94Å; L209-L228 HydrophobicContact CD2-CD2 3.84Å; L209-L228 HydrophobicContact CG-CD1 4.28Å; L209-L228 HydrophobicContact CG-CD2 3.77Å; L209-F233 HydrophobicContact CD1-CB 4.41Å; L209-F233 HydrophobicContact CD1-CD2 4.22Å; L209-F233 HydrophobicContact CD2-CD2 4.18Å; L209-W236 HydrophobicContact CB-CD2 4.18Å; L209-W236 HydrophobicContact CB-CG 4.02Å; L209-W236 HydrophobicContact CD1-CB 3.63Å; L209-W236 HydrophobicContact CD1-CD2 4.04Å; L209-W236 HydrophobicContact CD1-CE3 4.3Å; L209-W236 HydrophobicContact CD1-CG 3.75Å; L209-W236 HydrophobicContact CD2-CD2 4.43Å; L209-W236 HydrophobicContact CD2-CE3 4.4Å; L209-W236 HydrophobicContact CG-CD2 4.45Å; L209-W236 HydrophobicContact CG-CG 4.41Å; L209-L274 HydrophobicContact CD2-CD1 4.09Å; L209-L274 HydrophobicContact CD2-CD2 4.37Å
210	F	86.6	Confident	73.3	Confident	14 Å²	14	80.8 Å²	80.8	6%	0.061	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-100.3	21.6	-173.1	-60.5	-73.5	0	0	0	114.2	V206 E207 S208 L215 L274 V388 R399 A401	V206-F210 HydrophobicContact CG1-CE2 4.17Å; E207-F210 CarbonylContact O-C 3.47Å; E207-F210 PolarHBondContact O-N 2.98Å; S208-F210 VanDerWaalsContact C-N 3.32Å; F210-L215 HydrophobicContact CB-CD1 4.35Å; F210-L215 HydrophobicContact CD1-CD2 4.47Å; F210-L215 VanDerWaalsContact O-CD1 3.22Å; F210-L215 WeakPolarHBondContact O-CD1 3.37Å; F210-L274 HydrophobicContact CE2-CD1 3.44Å; F210-L274 VanDerWaalsContact CE2-CD1 3.44Å; F210-L274 HydrophobicContact CZ-CD1 3.59Å; F210-V388 HydrophobicContact CD1-CG1 3.91Å; F210-V388 HydrophobicContact CD1-CG2 4.17Å; F210-V388 HydrophobicContact CE1-CG1 3.84Å; F210-V388 HydrophobicContact CE1-CG2 3.83Å; F210-R399 HydrophobicContact CD1-CB 4.02Å; F210-R399 HydrophobicContact CD2-CB 3.9Å; F210-R399 HydrophobicContact CE1-CB 3.88Å; F210-R399 HydrophobicContact CE2-CB 3.75Å; F210-R399 WeakPolarHBondContact CE2-O 3.47Å; F210-R399 HydrophobicContact CG-CB 4.02Å; F210-R399 HydrophobicContact CZ-CB 3.74Å; F210-R399 VanDerWaalsContact CZ-O 3.23Å; F210-R399 WeakPolarHBondContact CZ-O 3.44Å; F210-R399 PolarHBondContact O-NH1 3.33Å; F210-R399 VanDerWaalsContact O-NH1 3.08Å; F210-A401 HydrophobicContact CE1-CB 4.32Å; F210-A401 HydrophobicContact CZ-CB 4.27Å
211	V	84.6	Confident	73.9	Confident	74 Å²	74	71.8 Å²	71.8	45%	0.448	45%	0.448	S	S	.	.	S	Bend	trans	-67.6	142.4	168.4	177.7	0	0	0	0	109.3	E207 S213 N214	E207-V211 PolarHBondContact O-N 3.08Å; V211-S213 PolarHBondContact O-N 3.14Å; V211-N214 WeakPolarHBondContact O-CB 3.47Å; V211-N214 PolarHBondContact O-N 3.23Å
212	S	79.7	Confident	73.9	Confident	106 Å²	106	72.2 Å²	72.2	74%	0.741	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-55.4	-25	-174.3	-45.7	0	0	0	0	114.6	N214 L215	S212-N214 PolarHBondContact O-N 2.58Å; S212-L215 PolarHBondContact O-N 2.91Å
213	S	82.8	Confident	73.5	Confident	100 Å²	100	71 Å²	71	70%	0.699	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-62.5	-20.4	173.9	57.1	0	0	0	0	114.5	V211	V211-S213 PolarHBondContact O-N 3.14Å
214	N	83.2	Confident	73	Confident	38 Å²	38	76.4 Å²	76.4	20%	0.203	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-100.8	-7.6	-177.1	-56.7	-10.5	0	0	0	112.1	S208 L209 V211 S212 L228 A232	S208-N214 PolarHBondContact O-ND2 3.12Å; L209-N214 WeakPolarHBondContact O-CB 3.22Å; L209-N214 PolarHBondContact O-ND2 2.98Å; V211-N214 WeakPolarHBondContact O-CB 3.47Å; V211-N214 PolarHBondContact O-N 3.23Å; S212-N214 PolarHBondContact O-N 2.58Å; N214-L228 HydrophobicContact CB-CD1 3.9Å; N214-A232 HydrophobicContact CB-CB 3.92Å
215	L	83.3	Confident	72.3	Confident	15 Å²	15	75.1 Å²	75.1	8%	0.079	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.6	-165.8	-63.9	173.8	0	0	0	110.1	F210 S212 Q226 L228 V388	F210-L215 HydrophobicContact CB-CD1 4.35Å; F210-L215 HydrophobicContact CD1-CD2 4.47Å; F210-L215 VanDerWaalsContact O-CD1 3.22Å; F210-L215 WeakPolarHBondContact O-CD1 3.37Å; S212-L215 PolarHBondContact O-N 2.91Å; L215-Q226 HydrophobicContact CB-CB 4.45Å; L215-Q226 HydrophobicContact CD2-CB 4.48Å; L215-L228 HydrophobicContact CD2-CB 3.82Å; L215-L228 HydrophobicContact CD2-CD1 4.34Å; L215-V388 HydrophobicContact CD2-CB 4.36Å; L215-V388 HydrophobicContact CD2-CG2 3.87Å
216	V	81.6	Confident	72	Confident	88 Å²	88	74.8 Å²	74.8	53%	0.533	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.1	176.9	-172.5	0	0	0	0	108.6	K227	V216-K227 PolarHBondContact N-O 2.87Å; V216-K227 WeakPolarHBondContact O-CB 3.38Å; V216-K227 PolarHBondContact O-N 2.79Å
217	P	72.3	Confident	72.1	Confident	98 Å²	98	75.9 Å²	75.9	64%	0.636	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.9	170.5	29.1	-34	0	0	0	110
218	V	67.2	Low	72.4	Confident	55 Å²	55	69.9 Å²	69.9	33%	0.333	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-89.3	119.6	173.6	-174.4	0	0	0	0	108.8	D220 S221 T225 K227	V218-D220 VanDerWaalsContact C-N 3.26Å; V218-D220 PolarHBondContact O-N 2.95Å; V218-S221 PolarHBondContact O-N 3.33Å; V218-S221 PolarHBondContact O-OG 3.27Å; V218-S221 VanDerWaalsContact O-OG 3.07Å; V218-T225 WeakPolarHBondContact CB-OG1 3.26Å; V218-T225 WeakPolarHBondContact CG2-OG1 3.37Å; V218-T225 PolarHBondContact N-O 3.03Å; V218-K227 HydrophobicContact CG2-CB 3.88Å
219	S	53.1	Low	72.4	Confident	117 Å²	117	68.7 Å²	68.7	82%	0.818	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.2	-169.9	-49.2	0	0	0	0	114.7
220	D	51.7	Low	72.2	Confident	158 Å²	158	69.1 Å²	69.1	85%	0.845	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	4.6	-170.7	-45.5	-56.8	0	0	0	113.8	V218	V218-D220 VanDerWaalsContact C-N 3.26Å; V218-D220 PolarHBondContact O-N 2.95Å
221	S	49.8	Very low	72.2	Confident	36 Å²	36	72.3 Å²	72.3	25%	0.252	41%	0.414	S	S	.	.			trans	-106.8	111.6	-175.4	66.3	0	0	0	0	112.5	V218 N223 T225	V218-S221 PolarHBondContact O-N 3.33Å; V218-S221 PolarHBondContact O-OG 3.27Å; V218-S221 VanDerWaalsContact O-OG 3.07Å; S221-N223 VanDerWaalsContact C-N 3.31Å; S221-N223 CarbonylContact C-O 3.6Å; S221-N223 WeakPolarHBondContact CB-O 3.11Å; S221-N223 CarbonylContact O-C 3.52Å; S221-N223 PolarHBondContact OG-O 3.37Å; S221-T225 WeakPolarHBondContact CB-OG1 3.43Å; S221-T225 PolarHBondContact OG-N 2.97Å; S221-T225 PolarHBondContact OG-OG1 3.41Å
222	I	48.3	Very low	72.4	Confident	112 Å²	112	69.5 Å²	69.5	57%	0.574	40%	0.398	S	S	*	.	S	Bend	trans	-63.1	-39.2	170.1	-62	167.8	0	0	0	110.4	R224 P569	I222-R224 PolarHBondContact O-N 3.06Å; I222-P569 HydrophobicContact CB-CB 3.75Å; I222-P569 HydrophobicContact CB-CG 3.99Å; I222-P569 HydrophobicContact CD1-CG 4.13Å; I222-P569 HydrophobicContact CG1-CG 4.49Å; I222-P569 HydrophobicContact CG2-CB 4.03Å
223	N	51.1	Low	73	Confident	65 Å²	65	64.4 Å²	64.4	35%	0.348	36%	0.362	S	S	.	.	S	Bend	trans	-61	129.5	159.2	-68.7	-21.6	0	0	0	107.8	S221 T225 P569	S221-N223 VanDerWaalsContact C-N 3.31Å; S221-N223 CarbonylContact C-O 3.6Å; S221-N223 WeakPolarHBondContact CB-O 3.11Å; S221-N223 CarbonylContact O-C 3.52Å; S221-N223 PolarHBondContact OG-O 3.37Å; N223-T225 HydrophobicContact CB-CG2 4.14Å; N223-T225 PolarHBondContact O-N 3.34Å; N223-P569 WeakPolarHBondContact OD1-CB 3.24Å
224	R	56.2	Low	73.3	Confident	212 Å²	212	60 Å²	60	80%	0.8	33%	0.331	S	S	*	.			trans	-67.6	57.7	-174.5	-63.4	177.9	176.1	171.9	-2.3	114.1	I222 S390	I222-R224 PolarHBondContact O-N 3.06Å; R224-S390 WeakPolarHBondContact O-CB 3.2Å; R224-S390 PolarHBondContact O-OG 3.45Å
225	T	64.5	Low	73.6	Confident	13 Å²	13	66.2 Å²	66.2	8%	0.08	35%	0.351	C	S	.	.			trans	-72.8	138.7	-171.9	74.7	0	0	0	0	111.6	V218 S221 N223 Y387 N565	V218-T225 WeakPolarHBondContact CB-OG1 3.26Å; V218-T225 WeakPolarHBondContact CG2-OG1 3.37Å; V218-T225 PolarHBondContact N-O 3.03Å; S221-T225 WeakPolarHBondContact CB-OG1 3.43Å; S221-T225 PolarHBondContact OG-N 2.97Å; S221-T225 PolarHBondContact OG-OG1 3.41Å; N223-T225 HydrophobicContact CB-CG2 4.14Å; N223-T225 PolarHBondContact O-N 3.34Å; T225-Y387 HydrophobicContact CG2-CE2 3.82Å; T225-N565 WeakPolarHBondContact CG2-OD1 3.37Å
226	Q	77.1	Confident	74	Confident	55 Å²	55	66.2 Å²	66.2	26%	0.257	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.9	179.5	-69.2	-178.4	-21.1	0	0	109.6	L215 V388	L215-Q226 HydrophobicContact CB-CB 4.45Å; L215-Q226 HydrophobicContact CD2-CB 4.48Å; Q226-V388 HydrophobicContact CB-CB 4.19Å; Q226-V388 PolarHBondContact N-O 3.13Å; Q226-V388 PolarHBondContact O-N 3.26Å
227	K	85.3	Confident	74.6	Confident	72 Å²	72	62 Å²	62	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.7	-178.6	-174.2	-178.2	178.6	-168.2	0	108.9	V216 V218 D385 F386	V216-K227 PolarHBondContact N-O 2.87Å; V216-K227 WeakPolarHBondContact O-CB 3.38Å; V216-K227 PolarHBondContact O-N 2.79Å; V218-K227 HydrophobicContact CG2-CB 3.88Å; K227-D385 HydrophobicContact CD-CB 4.36Å; K227-D385 WeakPolarHBondContact CE-OD2 3.05Å; K227-D385 HydrophobicContact CG-CB 4.14Å; K227-D385 IonicContact NZ-OD2 3.1Å; K227-D385 PolarHBondContact NZ-OD2 2.99Å; K227-F386 WeakPolarHBondContact CA-O 3.46Å
228	L	88.1	Confident	75.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.5	171.8	168.7	67.3	0	0	0	108.2	L209 N214 L215 A232 F386 V388 A401	L209-L228 HydrophobicContact CD1-CD1 3.99Å; L209-L228 HydrophobicContact CD1-CD2 3.94Å; L209-L228 HydrophobicContact CD2-CD2 3.84Å; L209-L228 HydrophobicContact CG-CD1 4.28Å; L209-L228 HydrophobicContact CG-CD2 3.77Å; N214-L228 HydrophobicContact CB-CD1 3.9Å; L215-L228 HydrophobicContact CD2-CB 3.82Å; L215-L228 HydrophobicContact CD2-CD1 4.34Å; L228-A232 HydrophobicContact CD1-CB 3.89Å; L228-F386 HydrophobicContact CB-CB 4.1Å; L228-F386 HydrophobicContact CD2-CB 4.26Å; L228-F386 HydrophobicContact CD2-CD2 4.42Å; L228-F386 HydrophobicContact CD2-CG 4.43Å; L228-F386 HydrophobicContact CG-CB 4.41Å; L228-F386 PolarHBondContact N-O 3.2Å; L228-F386 PolarHBondContact O-N 2.87Å; L228-V388 HydrophobicContact CB-CG2 3.67Å; L228-V388 HydrophobicContact CD2-CG2 4.48Å; L228-A401 HydrophobicContact CD2-CB 3.88Å
229	G	85.5	Confident	76.5	Confident	14 Å²	14	56.4 Å²	56.4	14%	0.144	29%	0.29	C	S	.	.			trans	-62.7	140	-178.5	0	0	0	0	0	112.3	T231 A232 F233 D385	G229-T231 PolarHBondContact O-N 2.8Å; G229-T231 VanDerWaalsContact O-N 3.13Å; G229-A232 WeakPolarHBondContact O-CB 3.46Å; G229-A232 PolarHBondContact O-N 2.68Å; G229-F233 PolarHBondContact O-N 2.9Å; G229-D385 WeakPolarHBondContact CA-OD1 3.42Å
230	A	85.3	Confident	78.3	Confident	10 Å²	10	51 Å²	51	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-32.4	-180	0	0	0	0	0	112.4	F233 L234 D385	A230-F233 PolarHBondContact O-N 2.84Å; A230-L234 WeakPolarHBondContact O-CB 3.31Å; A230-L234 WeakPolarHBondContact O-CD1 3.49Å; A230-L234 VanDerWaalsContact O-CG 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.47Å; A230-L234 PolarHBondContact O-N 2.84Å; A230-D385 PolarHBondContact N-OD1 2.8Å
231	T	85.5	Confident	80	Confident	81 Å²	81	43.6 Å²	43.6	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-67.8	-29.3	174.8	53	0	0	0	0	113.7	G229 R235	G229-T231 PolarHBondContact O-N 2.8Å; G229-T231 VanDerWaalsContact O-N 3.13Å; T231-R235 VanDerWaalsContact O-CG 3.3Å; T231-R235 WeakPolarHBondContact O-CG 3.34Å; T231-R235 PolarHBondContact O-N 3.18Å; T231-R235 VanDerWaalsContact O-N 3.16Å
232	A	89.6	Confident	81.7	Confident	14 Å²	14	48 Å²	48	12%	0.116	22%	0.224	C	C	.	.	H	α-helix	trans	-74.5	-42.6	173.7	0	0	0	0	0	111	N214 L228 G229 R235 W236	N214-A232 HydrophobicContact CB-CB 3.92Å; L228-A232 HydrophobicContact CD1-CB 3.89Å; G229-A232 WeakPolarHBondContact O-CB 3.46Å; G229-A232 PolarHBondContact O-N 2.68Å; A232-R235 PolarHBondContact O-N 3.18Å; A232-W236 PolarHBondContact O-N 3.09Å
233	F	91.7	Very high	83.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-45.7	171.2	177.2	-101	0	0	0	112	L209 G229 A230 R235 W236 A237 L275 F295 A382 F386 I497	L209-F233 HydrophobicContact CD1-CB 4.41Å; L209-F233 HydrophobicContact CD1-CD2 4.22Å; L209-F233 HydrophobicContact CD2-CD2 4.18Å; G229-F233 PolarHBondContact O-N 2.9Å; A230-F233 PolarHBondContact O-N 2.84Å; F233-R235 VanDerWaalsContact C-N 3.34Å; F233-R235 PolarHBondContact O-N 3.19Å; F233-W236 HydrophobicContact CD2-CE3 4.14Å; F233-W236 HydrophobicContact CD2-CZ3 4.47Å; F233-W236 AromaticContact CE2-CE3 3.97Å; F233-W236 HydrophobicContact CE2-CE3 3.97Å; F233-W236 AromaticContact CE2-CZ3 3.87Å; F233-W236 HydrophobicContact CE2-CZ3 3.87Å; F233-W236 PolarHBondContact O-N 3.01Å; F233-A237 HydrophobicContact CE1-CB 4.44Å; F233-A237 HydrophobicContact CZ-CB 4.48Å; F233-A237 VanDerWaalsContact O-CB 3.26Å; F233-A237 WeakPolarHBondContact O-CB 3.24Å; F233-A237 PolarHBondContact O-N 3.31Å; F233-L275 HydrophobicContact CE2-CD2 4.05Å; F233-L275 HydrophobicContact CZ-CD1 4.46Å; F233-F295 HydrophobicContact CE1-CZ 4.32Å; F233-F295 HydrophobicContact CZ-CZ 4.44Å; F233-A382 HydrophobicContact CD1-CB 4.31Å; F233-A382 HydrophobicContact CE1-CB 3.86Å; F233-F386 HydrophobicContact CB-CD2 4.19Å; F233-F386 HydrophobicContact CB-CE2 3.58Å; F233-F386 HydrophobicContact CB-CZ 4.27Å; F233-F386 AromaticContact CD1-CE2 3.74Å; F233-F386 HydrophobicContact CD1-CE2 3.74Å; F233-F386 AromaticContact CD1-CZ 3.73Å; F233-F386 HydrophobicContact CD1-CZ 3.73Å; F233-F386 HydrophobicContact CD2-CE2 4.17Å; F233-F386 HydrophobicContact CD2-CZ 4.03Å; F233-F386 HydrophobicContact CE1-CZ 4.06Å; F233-F386 HydrophobicContact CE2-CZ 4.33Å; F233-F386 HydrophobicContact CG-CD2 4.48Å; F233-F386 AromaticContact CG-CE2 3.54Å; F233-F386 HydrophobicContact CG-CE2 3.54Å; F233-F386 AromaticContact CG-CZ 3.71Å; F233-F386 HydrophobicContact CG-CZ 3.71Å; F233-F386 HydrophobicContact CZ-CZ 4.35Å; F233-I497 HydrophobicContact CE1-CD1 4.01Å; F233-I497 HydrophobicContact CE1-CG1 4.45Å
234	L	89.8	Confident	84.4	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-43.1	175.4	-80	161.8	0	0	0	112.8	A230 E238 L480 L483 V489 I497	A230-L234 WeakPolarHBondContact O-CB 3.31Å; A230-L234 WeakPolarHBondContact O-CD1 3.49Å; A230-L234 VanDerWaalsContact O-CG 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.47Å; A230-L234 PolarHBondContact O-N 2.84Å; L234-E238 WeakPolarHBondContact O-CB 3.41Å; L234-E238 PolarHBondContact O-N 3.05Å; L234-L480 HydrophobicContact CD1-CD1 4.07Å; L234-L480 HydrophobicContact CD2-CD1 3.91Å; L234-L483 HydrophobicContact CD1-CD1 3.83Å; L234-V489 HydrophobicContact CD2-CG2 4.34Å; L234-I497 HydrophobicContact CD2-CB 4.4Å; L234-I497 HydrophobicContact CD2-CD1 3.81Å; L234-I497 HydrophobicContact CD2-CG2 3.87Å
235	R	88.5	Confident	84.9	Confident	167 Å²	167	40.7 Å²	40.7	63%	0.63	20%	0.198	S	C	*	.	H	α-helix	trans	-67.6	-40.4	177.6	-75.7	171.1	175.5	-178.8	-0.9	112.8	T231 A232 F233 A239	T231-R235 VanDerWaalsContact O-CG 3.3Å; T231-R235 WeakPolarHBondContact O-CG 3.34Å; T231-R235 PolarHBondContact O-N 3.18Å; T231-R235 VanDerWaalsContact O-N 3.16Å; A232-R235 PolarHBondContact O-N 3.18Å; F233-R235 VanDerWaalsContact C-N 3.34Å; F233-R235 PolarHBondContact O-N 3.19Å; R235-A239 PolarHBondContact O-N 3.46Å; R235-A239 VanDerWaalsContact O-N 3.12Å
236	W	92.7	Very high	84.4	Confident	15 Å²	15	48.2 Å²	48.2	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-47.9	174.1	174	86.8	0	0	0	111.2	S205 V206 S208 L209 A232 F233 E238 A239 C240 I269 L274	S205-W236 PolarHBondContact O-NE1 3.37Å; V206-W236 HydrophobicContact CG2-CZ2 4.45Å; S208-W236 PolarHBondContact OG-NE1 2.81Å; L209-W236 HydrophobicContact CB-CD2 4.18Å; L209-W236 HydrophobicContact CB-CG 4.02Å; L209-W236 HydrophobicContact CD1-CB 3.63Å; L209-W236 HydrophobicContact CD1-CD2 4.04Å; L209-W236 HydrophobicContact CD1-CE3 4.3Å; L209-W236 HydrophobicContact CD1-CG 3.75Å; L209-W236 HydrophobicContact CD2-CD2 4.43Å; L209-W236 HydrophobicContact CD2-CE3 4.4Å; L209-W236 HydrophobicContact CG-CD2 4.45Å; L209-W236 HydrophobicContact CG-CG 4.41Å; A232-W236 PolarHBondContact O-N 3.09Å; F233-W236 HydrophobicContact CD2-CE3 4.14Å; F233-W236 HydrophobicContact CD2-CZ3 4.47Å; F233-W236 AromaticContact CE2-CE3 3.97Å; F233-W236 HydrophobicContact CE2-CE3 3.97Å; F233-W236 AromaticContact CE2-CZ3 3.87Å; F233-W236 HydrophobicContact CE2-CZ3 3.87Å; F233-W236 PolarHBondContact O-N 3.01Å; W236-E238 VanDerWaalsContact C-N 3.29Å; W236-E238 PolarHBondContact O-N 2.77Å; W236-A239 PolarHBondContact O-N 3.23Å; W236-C240 VanDerWaalsContact CZ2-SG 3.59Å; W236-C240 PolarHBondContact O-N 3.44Å; W236-C240 PolarHBondContact O-SG 2.85Å; W236-I269 HydrophobicContact CZ3-CB 4.29Å; W236-L274 HydrophobicContact CH2-CD2 3.49Å; W236-L274 VanDerWaalsContact CH2-CD2 3.49Å; W236-L274 HydrophobicContact CZ2-CD2 4.11Å; W236-L274 HydrophobicContact CZ3-CD2 4Å
237	A	92.7	Very high	83.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-34.9	178.6	0	0	0	0	0	112.5	F233 T241 I269 L493 I497	F233-A237 HydrophobicContact CE1-CB 4.44Å; F233-A237 HydrophobicContact CZ-CB 4.48Å; F233-A237 VanDerWaalsContact O-CB 3.26Å; F233-A237 WeakPolarHBondContact O-CB 3.24Å; F233-A237 PolarHBondContact O-N 3.31Å; A237-T241 WeakPolarHBondContact O-CB 3.39Å; A237-T241 WeakPolarHBondContact O-CG2 3.49Å; A237-T241 PolarHBondContact O-N 2.95Å; A237-T241 PolarHBondContact O-OG1 3.26Å; A237-I269 HydrophobicContact CB-CB 4.26Å; A237-I269 HydrophobicContact CB-CD1 4.49Å; A237-I269 HydrophobicContact CB-CG2 3.93Å; A237-L493 HydrophobicContact CB-CD1 4.37Å; A237-I497 HydrophobicContact CB-CD1 3.8Å
238	E	90.2	Very high	81.4	Confident	15 Å²	15	62.7 Å²	62.7	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-51.2	168.9	-178.2	-85.1	160.2	0	0	111.5	L234 W236 C240 T241 R242 R245 L488 L493	L234-E238 WeakPolarHBondContact O-CB 3.41Å; L234-E238 PolarHBondContact O-N 3.05Å; W236-E238 VanDerWaalsContact C-N 3.29Å; W236-E238 PolarHBondContact O-N 2.77Å; E238-C240 PolarHBondContact O-N 2.96Å; E238-T241 CarbonylContact O-C 3.58Å; E238-T241 PolarHBondContact O-N 3.13Å; E238-T241 PolarHBondContact O-OG1 3.45Å; E238-R242 VanDerWaalsContact CD-NE 3.32Å; E238-R242 WeakPolarHBondContact O-CG 3.46Å; E238-R242 PolarHBondContact O-N 3.27Å; E238-R242 VanDerWaalsContact O-N 3.08Å; E238-R242 WeakPolarHBondContact OE1-CG 3.27Å; E238-R242 IonicContact OE1-CZ 3.14Å; E238-R242 IonicContact OE1-NE 3.66Å; E238-R242 PolarHBondContact OE1-NE 2.77Å; E238-R242 IonicContact OE1-NH2 3.59Å; E238-R242 IonicContact OE2-CZ 3.57Å; E238-R242 VanDerWaalsContact OE2-CZ 3.25Å; E238-R242 IonicContact OE2-NE 2.7Å; E238-R242 PolarHBondContact OE2-NE 2.58Å; E238-R242 IonicContact OE2-NH2 3.45Å; E238-R242 PolarHBondContact OE2-NH2 2.96Å; E238-R245 IonicContact OE1-CZ 3.36Å; E238-R245 IonicContact OE1-NE 2.78Å; E238-R245 PolarHBondContact OE1-NE 3Å; E238-R245 IonicContact OE1-NH2 3.19Å; E238-R245 PolarHBondContact OE1-NH2 2.82Å; E238-L488 WeakPolarHBondContact CG-O 3.38Å; E238-L493 HydrophobicContact CB-CD2 3.94Å
239	A	90.3	Very high	79.6	Confident	20 Å²	20	64.8 Å²	64.8	17%	0.165	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-33.8	-177.9	0	0	0	0	0	112.2	P204 R235 W236 T241	P204-A239 HydrophobicContact CG-CB 3.78Å; R235-A239 PolarHBondContact O-N 3.46Å; R235-A239 VanDerWaalsContact O-N 3.12Å; W236-A239 PolarHBondContact O-N 3.23Å; A239-T241 VanDerWaalsContact C-N 3.35Å
240	C	89.8	Confident	78	Confident	4 Å²	4	65.9 Å²	65.9	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-27.1	169.9	-61.1	0	0	0	0	114.6	W236 E238 I268 I269	W236-C240 VanDerWaalsContact CZ2-SG 3.59Å; W236-C240 PolarHBondContact O-N 3.44Å; W236-C240 PolarHBondContact O-SG 2.85Å; E238-C240 PolarHBondContact O-N 2.96Å; C240-I268 HydrophobicContact CB-CG2 3.62Å; C240-I269 HydrophobicContact CB-CG2 4.36Å
241	T	89	Confident	76.6	Confident	3 Å²	3	67 Å²	67	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-113.4	15.6	-171.3	57.8	0	0	0	0	114.1	A237 E238 A239 S243 F244 M265 I268 I269 L493	A237-T241 WeakPolarHBondContact O-CB 3.39Å; A237-T241 WeakPolarHBondContact O-CG2 3.49Å; A237-T241 PolarHBondContact O-N 2.95Å; A237-T241 PolarHBondContact O-OG1 3.26Å; E238-T241 CarbonylContact O-C 3.58Å; E238-T241 PolarHBondContact O-N 3.13Å; E238-T241 PolarHBondContact O-OG1 3.45Å; A239-T241 VanDerWaalsContact C-N 3.35Å; T241-S243 PolarHBondContact O-N 2.98Å; T241-S243 VanDerWaalsContact O-N 3.1Å; T241-F244 HydrophobicContact CG2-CD2 4.33Å; T241-F244 WeakPolarHBondContact O-CD2 3.48Å; T241-F244 PolarHBondContact O-N 3.2Å; T241-M265 HydrophobicContact CG2-CB 4.19Å; T241-M265 HydrophobicContact CG2-CE 4.01Å; T241-M265 HydrophobicContact CG2-CG 3.9Å; T241-I268 HydrophobicContact CG2-CG2 4.34Å; T241-I269 HydrophobicContact CG2-CG2 3.66Å; T241-L493 HydrophobicContact CG2-CD1 4.42Å
242	R	83.8	Confident	75.4	Confident	129 Å²	129	64.5 Å²	64.5	49%	0.487	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-55	-28.5	177.6	-79.3	177.6	-177	163.8	10.7	114.7	E238 F244 R245	E238-R242 VanDerWaalsContact CD-NE 3.32Å; E238-R242 WeakPolarHBondContact O-CG 3.46Å; E238-R242 PolarHBondContact O-N 3.27Å; E238-R242 VanDerWaalsContact O-N 3.08Å; E238-R242 WeakPolarHBondContact OE1-CG 3.27Å; E238-R242 IonicContact OE1-CZ 3.14Å; E238-R242 IonicContact OE1-NE 3.66Å; E238-R242 PolarHBondContact OE1-NE 2.77Å; E238-R242 IonicContact OE1-NH2 3.59Å; E238-R242 IonicContact OE2-CZ 3.57Å; E238-R242 VanDerWaalsContact OE2-CZ 3.25Å; E238-R242 IonicContact OE2-NE 2.7Å; E238-R242 PolarHBondContact OE2-NE 2.58Å; E238-R242 IonicContact OE2-NH2 3.45Å; E238-R242 PolarHBondContact OE2-NH2 2.96Å; R242-F244 VanDerWaalsContact C-N 3.26Å; R242-F244 PolarHBondContact O-N 2.85Å; R242-R245 WeakPolarHBondContact O-CB 3.31Å; R242-R245 PolarHBondContact O-N 3.47Å
243	S	79.9	Confident	74	Confident	80 Å²	80	64.6 Å²	64.6	56%	0.559	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-56.7	-38	173.3	45.6	0	0	0	0	112.9	T241 R245	T241-S243 PolarHBondContact O-N 2.98Å; T241-S243 VanDerWaalsContact O-N 3.1Å; S243-R245 PolarHBondContact O-N 3.11Å
244	F	77.2	Confident	72.6	Confident	42 Å²	42	74 Å²	74	18%	0.184	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-80.2	3.2	-177.9	-55.5	-89.6	0	0	0	113.6	T241 R242 K246 I249 A261 E264 M265 I268	T241-F244 HydrophobicContact CG2-CD2 4.33Å; T241-F244 WeakPolarHBondContact O-CD2 3.48Å; T241-F244 PolarHBondContact O-N 3.2Å; R242-F244 VanDerWaalsContact C-N 3.26Å; R242-F244 PolarHBondContact O-N 2.85Å; F244-K246 VanDerWaalsContact C-N 3.27Å; F244-K246 PolarHBondContact O-N 3.44Å; F244-I249 HydrophobicContact CB-CD1 4.14Å; F244-I249 HydrophobicContact CD1-CD1 4.33Å; F244-A261 HydrophobicContact CD1-CB 4.04Å; F244-A261 HydrophobicContact CE1-CB 4.09Å; F244-E264 HydrophobicContact CE1-CB 4.28Å; F244-E264 HydrophobicContact CZ-CB 3.88Å; F244-M265 HydrophobicContact CB-CG 4.44Å; F244-M265 HydrophobicContact CB-SD 3.93Å; F244-M265 HydrophobicContact CD1-CG 3.93Å; F244-M265 HydrophobicContact CD1-SD 4.14Å; F244-M265 HydrophobicContact CD2-CG 3.46Å; F244-M265 VanDerWaalsContact CD2-CG 3.46Å; F244-M265 HydrophobicContact CD2-SD 4.08Å; F244-M265 HydrophobicContact CE1-CG 3.97Å; F244-M265 HydrophobicContact CE2-CG 3.52Å; F244-M265 HydrophobicContact CG-CG 3.69Å; F244-M265 HydrophobicContact CG-SD 3.79Å; F244-M265 HydrophobicContact CZ-CG 3.77Å; F244-I268 HydrophobicContact CE2-CD1 3.83Å; F244-I268 HydrophobicContact CZ-CD1 4.13Å
245	R	66	Low	71.7	Confident	112 Å²	112	76.7 Å²	76.7	42%	0.423	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-75	-8.3	176.4	-74.4	-179.1	166.9	-96.3	4.9	114	E238 R242 S243 G487	E238-R245 IonicContact OE1-CZ 3.36Å; E238-R245 IonicContact OE1-NE 2.78Å; E238-R245 PolarHBondContact OE1-NE 3Å; E238-R245 IonicContact OE1-NH2 3.19Å; E238-R245 PolarHBondContact OE1-NH2 2.82Å; R242-R245 WeakPolarHBondContact O-CB 3.31Å; R242-R245 PolarHBondContact O-N 3.47Å; S243-R245 PolarHBondContact O-N 3.11Å; R245-G487 PolarHBondContact NH1-O 2.95Å; R245-G487 PolarHBondContact NH2-O 2.89Å
246	K	54.1	Low	71	Confident	171 Å²	171	75.7 Å²	75.7	74%	0.743	34%	0.344	S	S	*	.	S	Bend	trans	-110.7	143.3	-177.4	-67.9	-172.4	176.8	-175.1	0	111.8	F244	F244-K246 VanDerWaalsContact C-N 3.27Å; F244-K246 PolarHBondContact O-N 3.44Å
247	E	50.8	Low	70.3	Confident	176 Å²	176	78.1 Å²	78.1	82%	0.822	37%	0.367	S	S	*	.	S	Bend	trans	65	87.5	172.1	-63.8	179.9	-151	0	0	117.5	I249	E247-I249 VanDerWaalsContact C-N 3.26Å; E247-I249 PolarHBondContact O-N 3.49Å
248	R	49.5	Very low	69.4	Low	255 Å²	255	78.5 Å²	78.5	96%	0.962	37%	0.37	S	S	*	.			trans	41.9	30.8	149.7	-57.7	-168.9	-173.5	-177.3	4.6	118.9	S250	R248-S250 PolarHBondContact O-N 2.83Å; R248-S250 VanDerWaalsContact O-N 3.13Å
249	I	49.4	Very low	68.8	Low	45 Å²	45	79.9 Å²	79.9	23%	0.231	38%	0.381	C	S	.	.			trans	-58.3	123.9	168.8	-49.4	175.1	0	0	0	107.4	F244 E247 D258 A261 L492	F244-I249 HydrophobicContact CB-CD1 4.14Å; F244-I249 HydrophobicContact CD1-CD1 4.33Å; E247-I249 VanDerWaalsContact C-N 3.26Å; E247-I249 PolarHBondContact O-N 3.49Å; I249-D258 HydrophobicContact CG2-CB 4.01Å; I249-D258 VanDerWaalsContact CG2-OD1 3.27Å; I249-D258 WeakPolarHBondContact CG2-OD1 3.44Å; I249-A261 HydrophobicContact CD1-CB 4.18Å; I249-L492 HydrophobicContact CB-CD2 4.06Å; I249-L492 HydrophobicContact CD1-CD2 3.53Å; I249-L492 HydrophobicContact CG1-CD2 4.38Å; I249-L492 HydrophobicContact CG2-CD1 3.89Å; I249-L492 HydrophobicContact CG2-CD2 3.6Å; I249-L492 HydrophobicContact CG2-CG 4.37Å
250	S	52.9	Low	68.5	Low	36 Å²	36	82.2 Å²	82.2	25%	0.252	39%	0.39	S	S	.	.			trans	-74.8	139.5	-174.3	92.3	0	0	0	0	109.1	R248 W252 R254 D258	R248-S250 PolarHBondContact O-N 2.83Å; R248-S250 VanDerWaalsContact O-N 3.13Å; S250-W252 CarbonylContact C-O 3.42Å; S250-W252 CarbonylContact O-C 3.37Å; S250-W252 PolarHBondContact O-N 3.23Å; S250-W252 PolarHBondContact OG-O 3.45Å; S250-R254 WeakPolarHBondContact OG-CB 3.44Å; S250-D258 PolarHBondContact N-OD1 2.76Å; S250-D258 PolarHBondContact OG-OD2 2.9Å
251	V	56.1	Low	68.2	Low	34 Å²	34	82.6 Å²	82.6	21%	0.206	39%	0.394	C	S	.	.	S	Bend	trans	-71.5	-6.2	-164.3	-164.2	0	0	0	0	113	A338 P491	V251-A338 WeakPolarHBondContact CB-O 3.19Å; V251-A338 WeakPolarHBondContact CG1-O 3.41Å; V251-P491 HydrophobicContact CG1-CB 3.57Å; V251-P491 HydrophobicContact CG2-CB 4.25Å
252	W	59.3	Low	68	Low	29 Å²	29	83 Å²	83	11%	0.11	40%	0.396	C	S	.	.	S	Bend	trans	-112.5	146.1	161.5	-116.3	85.1	0	0	0	107.8	S250 R254 V301 T343 M347	S250-W252 CarbonylContact C-O 3.42Å; S250-W252 CarbonylContact O-C 3.37Å; S250-W252 PolarHBondContact O-N 3.23Å; S250-W252 PolarHBondContact OG-O 3.45Å; W252-R254 VanDerWaalsContact C-N 3.29Å; W252-R254 HydrophobicContact CB-CG 3.72Å; W252-R254 PolarHBondContact O-N 3.36Å; W252-V301 HydrophobicContact CD2-CG2 4.49Å; W252-V301 HydrophobicContact CE3-CG2 4.25Å; W252-V301 HydrophobicContact CH2-CB 4.15Å; W252-V301 HydrophobicContact CH2-CG2 3.19Å; W252-V301 HydrophobicContact CZ2-CG2 3.42Å; W252-V301 VanDerWaalsContact CZ2-CG2 3.42Å; W252-V301 HydrophobicContact CZ3-CG2 3.64Å; W252-T343 VanDerWaalsContact CD1-OG1 3.28Å; W252-T343 HydrophobicContact CZ2-CG2 3.54Å; W252-T343 PolarHBondContact NE1-OG1 2.86Å; W252-M347 HydrophobicContact CH2-CE 3.52Å; W252-M347 HydrophobicContact CZ2-CE 3.79Å; W252-M347 HydrophobicContact CZ3-CE 4.35Å
253	P	60.5	Low	68.1	Low	15 Å²	15	80.5 Å²	80.5	10%	0.097	39%	0.39	C	S	.	.			trans	-63.5	91.2	162.9	24.7	-31.2	0	0	0	110.7	D258 L262	P253-D258 HydrophobicContact CB-CB 4.28Å; P253-L262 HydrophobicContact CB-CD1 3.98Å; P253-L262 HydrophobicContact CG-CD1 3.91Å
254	R	62.9	Low	68.5	Low	199 Å²	199	81.1 Å²	81.1	75%	0.751	38%	0.384	S	S	*	.			trans	-104.2	-31.3	179.8	-62.4	-173.2	175.9	-146.1	-2.2	111.9	S250 W252 D258	S250-R254 WeakPolarHBondContact OG-CB 3.44Å; W252-R254 VanDerWaalsContact C-N 3.29Å; W252-R254 HydrophobicContact CB-CG 3.72Å; W252-R254 PolarHBondContact O-N 3.36Å; R254-D258 PolarHBondContact N-OD2 3.18Å
255	C	69.3	Low	69.1	Low	64 Å²	64	79.1 Å²	79.1	43%	0.432	38%	0.375	S	S	.	.	S	Bend	trans	-111.8	163.4	170.2	77.3	0	0	0	0	110.7	A257 D258 S259	C255-A257 PolarHBondContact O-N 3.27Å; C255-D258 PolarHBondContact N-OD2 3.42Å; C255-D258 WeakPolarHBondContact O-CB 3.35Å; C255-D258 PolarHBondContact O-N 2.94Å; C255-D258 PolarHBondContact SG-N 2.81Å; C255-D258 VanDerWaalsContact SG-N 3.44Å; C255-D258 PolarHBondContact SG-OD2 2.85Å; C255-S259 PolarHBondContact O-N 2.9Å
256	K	75.6	Confident	70.3	Confident	145 Å²	145	73.9 Å²	73.9	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-59.2	-37.9	178	-161.9	-159.8	171	-125	0	111.8	D258 S259 D260	K256-D258 VanDerWaalsContact C-N 3.32Å; K256-D258 PolarHBondContact O-N 2.94Å; K256-S259 CarbonylContact O-C 3.58Å; K256-S259 WeakPolarHBondContact O-CB 3.49Å; K256-S259 PolarHBondContact O-N 2.77Å; K256-S259 VanDerWaalsContact O-N 3.08Å; K256-D260 WeakPolarHBondContact CE-OD1 3.49Å; K256-D260 VanDerWaalsContact CE-OD2 3.28Å; K256-D260 WeakPolarHBondContact CE-OD2 3.45Å; K256-D260 IonicContact NZ-OD1 3.38Å; K256-D260 PolarHBondContact NZ-OD1 3.4Å; K256-D260 IonicContact NZ-OD2 2.75Å; K256-D260 PolarHBondContact NZ-OD2 3.2Å; K256-D260 WeakPolarHBondContact O-CB 3.2Å; K256-D260 VanDerWaalsContact O-CG 3.26Å; K256-D260 PolarHBondContact O-N 3.37Å
257	A	76.8	Confident	72	Confident	66 Å²	66	72.8 Å²	72.8	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-34.9	179.7	0	0	0	0	0	113.1	C255 S259 A261	C255-A257 PolarHBondContact O-N 3.27Å; A257-S259 VanDerWaalsContact C-N 3.35Å; A257-A261 VanDerWaalsContact O-CB 3.22Å; A257-A261 WeakPolarHBondContact O-CB 3.19Å; A257-A261 PolarHBondContact O-N 2.92Å
258	D	73.9	Confident	73.9	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-41.3	172.8	-54.7	-39	0	0	0	111	I249 S250 P253 R254 C255 K256 L262	I249-D258 HydrophobicContact CG2-CB 4.01Å; I249-D258 VanDerWaalsContact CG2-OD1 3.27Å; I249-D258 WeakPolarHBondContact CG2-OD1 3.44Å; S250-D258 PolarHBondContact N-OD1 2.76Å; S250-D258 PolarHBondContact OG-OD2 2.9Å; P253-D258 HydrophobicContact CB-CB 4.28Å; R254-D258 PolarHBondContact N-OD2 3.18Å; C255-D258 PolarHBondContact N-OD2 3.42Å; C255-D258 WeakPolarHBondContact O-CB 3.35Å; C255-D258 PolarHBondContact O-N 2.94Å; C255-D258 PolarHBondContact SG-N 2.81Å; C255-D258 VanDerWaalsContact SG-N 3.44Å; C255-D258 PolarHBondContact SG-OD2 2.85Å; K256-D258 VanDerWaalsContact C-N 3.32Å; K256-D258 PolarHBondContact O-N 2.94Å; D258-L262 WeakPolarHBondContact O-CG 3.33Å; D258-L262 PolarHBondContact O-N 3.05Å
259	S	78.7	Confident	76	Confident	43 Å²	43	54.6 Å²	54.6	30%	0.301	27%	0.274	S	S	.	.	H	α-helix	trans	-71.7	-39.7	178.6	-173.8	0	0	0	0	112.7	C255 K256 A257 A261 L262 H263	C255-S259 PolarHBondContact O-N 2.9Å; K256-S259 CarbonylContact O-C 3.58Å; K256-S259 WeakPolarHBondContact O-CB 3.49Å; K256-S259 PolarHBondContact O-N 2.77Å; K256-S259 VanDerWaalsContact O-N 3.08Å; A257-S259 VanDerWaalsContact C-N 3.35Å; S259-A261 VanDerWaalsContact C-N 3.35Å; S259-L262 PolarHBondContact O-N 2.97Å; S259-H263 WeakPolarHBondContact O-CB 3.42Å; S259-H263 PolarHBondContact O-N 2.74Å
260	D	82.2	Confident	77.9	Confident	69 Å²	69	52.5 Å²	52.5	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-40.9	174.6	-67.3	-16	0	0	0	109	K256 H263 E264	K256-D260 WeakPolarHBondContact CE-OD1 3.49Å; K256-D260 VanDerWaalsContact CE-OD2 3.28Å; K256-D260 WeakPolarHBondContact CE-OD2 3.45Å; K256-D260 IonicContact NZ-OD1 3.38Å; K256-D260 PolarHBondContact NZ-OD1 3.4Å; K256-D260 IonicContact NZ-OD2 2.75Å; K256-D260 PolarHBondContact NZ-OD2 3.2Å; K256-D260 WeakPolarHBondContact O-CB 3.2Å; K256-D260 VanDerWaalsContact O-CG 3.26Å; K256-D260 PolarHBondContact O-N 3.37Å; D260-H263 WeakPolarHBondContact O-CB 3.44Å; D260-H263 PolarHBondContact O-N 2.77Å; D260-E264 WeakPolarHBondContact O-CG 3.33Å; D260-E264 PolarHBondContact O-N 3.3Å
261	A	83.5	Confident	79.5	Confident	13 Å²	13	52.1 Å²	52.1	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-42.4	173.7	0	0	0	0	0	113.3	F244 I249 A257 S259 H263 E264 M265	F244-A261 HydrophobicContact CD1-CB 4.04Å; F244-A261 HydrophobicContact CE1-CB 4.09Å; I249-A261 HydrophobicContact CD1-CB 4.18Å; A257-A261 VanDerWaalsContact O-CB 3.22Å; A257-A261 WeakPolarHBondContact O-CB 3.19Å; A257-A261 PolarHBondContact O-N 2.92Å; S259-A261 VanDerWaalsContact C-N 3.35Å; A261-H263 VanDerWaalsContact C-N 3.3Å; A261-H263 PolarHBondContact O-N 2.93Å; A261-E264 PolarHBondContact O-N 3.33Å; A261-M265 WeakPolarHBondContact O-CB 3.46Å; A261-M265 WeakPolarHBondContact O-CG 3.42Å; A261-M265 PolarHBondContact O-N 3.49Å
262	L	86	Confident	80.8	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-37.4	172.3	-80	171.2	0	0	0	112.1	P253 D258 S259 N266 L492 L496	P253-L262 HydrophobicContact CB-CD1 3.98Å; P253-L262 HydrophobicContact CG-CD1 3.91Å; D258-L262 WeakPolarHBondContact O-CG 3.33Å; D258-L262 PolarHBondContact O-N 3.05Å; S259-L262 PolarHBondContact O-N 2.97Å; L262-N266 WeakPolarHBondContact O-CB 3.25Å; L262-N266 PolarHBondContact O-N 3.22Å; L262-L492 HydrophobicContact CD1-CD1 4.29Å; L262-L492 HydrophobicContact CD2-CD1 3.69Å; L262-L492 HydrophobicContact CD2-CG 3.85Å; L262-L492 HydrophobicContact CG-CD1 3.82Å; L262-L492 HydrophobicContact CG-CG 4.33Å; L262-L496 HydrophobicContact CD2-CB 3.9Å; L262-L496 HydrophobicContact CD2-CD1 4.4Å
263	H	86.5	Confident	81.7	Confident	76 Å²	76	53 Å²	53	35%	0.352	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-48.6	175	-176.8	-86.4	0	0	0	111.5	S259 D260 A261 N266 W267	S259-H263 WeakPolarHBondContact O-CB 3.42Å; S259-H263 PolarHBondContact O-N 2.74Å; D260-H263 WeakPolarHBondContact O-CB 3.44Å; D260-H263 PolarHBondContact O-N 2.77Å; A261-H263 VanDerWaalsContact C-N 3.3Å; A261-H263 PolarHBondContact O-N 2.93Å; H263-N266 WeakPolarHBondContact O-CB 3.48Å; H263-N266 PolarHBondContact O-N 3.34Å; H263-W267 PolarHBondContact O-N 2.95Å
264	E	87.4	Confident	82.9	Confident	92 Å²	92	52.5 Å²	52.5	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-40	179.2	-65.6	-50.5	100.5	0	0	112.5	F244 D260 A261 N266 W267 I268	F244-E264 HydrophobicContact CE1-CB 4.28Å; F244-E264 HydrophobicContact CZ-CB 3.88Å; D260-E264 WeakPolarHBondContact O-CG 3.33Å; D260-E264 PolarHBondContact O-N 3.3Å; A261-E264 PolarHBondContact O-N 3.33Å; E264-N266 PolarHBondContact O-N 3.41Å; E264-W267 WeakPolarHBondContact O-CB 3.4Å; E264-W267 PolarHBondContact O-N 3.05Å; E264-I268 WeakPolarHBondContact O-CB 3Å; E264-I268 WeakPolarHBondContact O-CD1 3.48Å; E264-I268 VanDerWaalsContact O-CG1 3.25Å; E264-I268 WeakPolarHBondContact O-CG1 3.38Å; E264-I268 PolarHBondContact O-N 2.93Å
265	M	90.2	Very high	84.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-45.2	171.8	-73.7	176.5	66.2	0	0	111.6	T241 F244 A261 W267 I268 I269 L492 L493 L496	T241-M265 HydrophobicContact CG2-CB 4.19Å; T241-M265 HydrophobicContact CG2-CE 4.01Å; T241-M265 HydrophobicContact CG2-CG 3.9Å; F244-M265 HydrophobicContact CB-CG 4.44Å; F244-M265 HydrophobicContact CB-SD 3.93Å; F244-M265 HydrophobicContact CD1-CG 3.93Å; F244-M265 HydrophobicContact CD1-SD 4.14Å; F244-M265 HydrophobicContact CD2-CG 3.46Å; F244-M265 VanDerWaalsContact CD2-CG 3.46Å; F244-M265 HydrophobicContact CD2-SD 4.08Å; F244-M265 HydrophobicContact CE1-CG 3.97Å; F244-M265 HydrophobicContact CE2-CG 3.52Å; F244-M265 HydrophobicContact CG-CG 3.69Å; F244-M265 HydrophobicContact CG-SD 3.79Å; F244-M265 HydrophobicContact CZ-CG 3.77Å; A261-M265 WeakPolarHBondContact O-CB 3.46Å; A261-M265 WeakPolarHBondContact O-CG 3.42Å; A261-M265 PolarHBondContact O-N 3.49Å; M265-W267 VanDerWaalsContact C-N 3.31Å; M265-W267 PolarHBondContact O-N 3Å; M265-I268 PolarHBondContact O-N 3.3Å; M265-I269 WeakPolarHBondContact O-CG1 3.46Å; M265-I269 PolarHBondContact O-N 2.84Å; M265-L492 HydrophobicContact CE-CG 4.48Å; M265-L492 HydrophobicContact SD-CD2 3.49Å; M265-L492 WeakPolarHBondContact SD-CD2 3.46Å; M265-L492 HydrophobicContact SD-CG 3.93Å; M265-L493 HydrophobicContact CE-CB 3.68Å; M265-L493 HydrophobicContact CE-CD1 3.64Å; M265-L493 HydrophobicContact CE-CG 4.27Å; M265-L496 HydrophobicContact CB-CD2 3.62Å; M265-L496 HydrophobicContact CE-CD2 4.49Å
266	N	91.8	Very high	85.1	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-42.5	175.2	-166.6	-0	0	0	0	110.8	L262 H263 E264 I268 S270 R292 F295 L496	L262-N266 WeakPolarHBondContact O-CB 3.25Å; L262-N266 PolarHBondContact O-N 3.22Å; H263-N266 WeakPolarHBondContact O-CB 3.48Å; H263-N266 PolarHBondContact O-N 3.34Å; E264-N266 PolarHBondContact O-N 3.41Å; N266-I268 VanDerWaalsContact C-N 3.31Å; N266-I268 PolarHBondContact O-N 3.25Å; N266-S270 WeakPolarHBondContact O-CB 3.42Å; N266-S270 PolarHBondContact O-N 3.44Å; N266-S270 VanDerWaalsContact O-N 3.13Å; N266-S270 PolarHBondContact O-OG 3.23Å; N266-S270 PolarHBondContact OD1-OG 3.39Å; N266-R292 PolarHBondContact O-NH2 3.13Å; N266-F295 PolarHBondContact ND2-O 3.35Å; N266-F295 WeakPolarHBondContact OD1-CD2 3.47Å; N266-F295 PolarHBondContact OD1-N 3.08Å; N266-F295 VanDerWaalsContact OD1-N 3.12Å; N266-L496 HydrophobicContact CB-CD1 4.08Å; N266-L496 HydrophobicContact CB-CD2 4.27Å
267	W	89.9	Confident	85.7	Confident	148 Å²	148	33.2 Å²	33.2	56%	0.561	18%	0.182	S	C	*	.	H	α-helix	trans	-60.6	-39.5	175.5	-169.5	-90.3	0	0	0	112.4	H263 E264 M265 R292	H263-W267 PolarHBondContact O-N 2.95Å; E264-W267 WeakPolarHBondContact O-CB 3.4Å; E264-W267 PolarHBondContact O-N 3.05Å; M265-W267 VanDerWaalsContact C-N 3.31Å; M265-W267 PolarHBondContact O-N 3Å; W267-R292 VanDerWaalsContact CA-NH2 3.34Å; W267-R292 VanDerWaalsContact CZ3-NH1 3.3Å; W267-R292 PolarHBondContact O-NH2 3.38Å
268	I	90.6	Very high	86	Confident	48 Å²	48	31.4 Å²	31.4	25%	0.246	16%	0.161	C	C	.	.	H	α-helix	trans	-73.6	-41.2	-179.5	-72.9	163.7	0	0	0	112.9	C240 T241 F244 E264 M265 N266 P271	C240-I268 HydrophobicContact CB-CG2 3.62Å; T241-I268 HydrophobicContact CG2-CG2 4.34Å; F244-I268 HydrophobicContact CE2-CD1 3.83Å; F244-I268 HydrophobicContact CZ-CD1 4.13Å; E264-I268 WeakPolarHBondContact O-CB 3Å; E264-I268 WeakPolarHBondContact O-CD1 3.48Å; E264-I268 VanDerWaalsContact O-CG1 3.25Å; E264-I268 WeakPolarHBondContact O-CG1 3.38Å; E264-I268 PolarHBondContact O-N 2.93Å; M265-I268 PolarHBondContact O-N 3.3Å; N266-I268 VanDerWaalsContact C-N 3.31Å; N266-I268 PolarHBondContact O-N 3.25Å; I268-P271 WeakPolarHBondContact O-CD 3.4Å
269	I	92.1	Very high	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-94.5	-7.8	-173	74.7	174.6	0	0	0	114.8	W236 A237 C240 T241 M265 F295 L493 L496 I497	W236-I269 HydrophobicContact CZ3-CB 4.29Å; A237-I269 HydrophobicContact CB-CB 4.26Å; A237-I269 HydrophobicContact CB-CD1 4.49Å; A237-I269 HydrophobicContact CB-CG2 3.93Å; C240-I269 HydrophobicContact CB-CG2 4.36Å; T241-I269 HydrophobicContact CG2-CG2 3.66Å; M265-I269 WeakPolarHBondContact O-CG1 3.46Å; M265-I269 PolarHBondContact O-N 2.84Å; I269-F295 HydrophobicContact CD1-CD2 4.23Å; I269-F295 HydrophobicContact CD1-CE2 3.66Å; I269-F295 HydrophobicContact CD1-CZ 4.27Å; I269-F295 HydrophobicContact CG1-CD2 4.34Å; I269-F295 HydrophobicContact CG1-CE2 3.88Å; I269-L493 HydrophobicContact CD1-CD1 4.09Å; I269-L496 HydrophobicContact CD1-CD2 3.69Å; I269-L496 HydrophobicContact CD1-CG 4.2Å; I269-L496 HydrophobicContact CG1-CD2 4.36Å; I269-I497 HydrophobicContact CD1-CD1 4.03Å; I269-I497 HydrophobicContact CD1-CG1 3.79Å
270	S	90.4	Very high	86	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.149	C	C	.	.	S	Bend	trans	-121.9	34.7	177.9	70.2	0	0	0	0	115.7	N266 R292	N266-S270 WeakPolarHBondContact O-CB 3.42Å; N266-S270 PolarHBondContact O-N 3.44Å; N266-S270 VanDerWaalsContact O-N 3.13Å; N266-S270 PolarHBondContact O-OG 3.23Å; N266-S270 PolarHBondContact OD1-OG 3.39Å; S270-R292 PolarHBondContact O-NE 2.87Å; S270-R292 PolarHBondContact O-NH2 2.94Å; S270-R292 PolarHBondContact OG-NH2 3.49Å
271	P	86.3	Confident	85.8	Confident	29 Å²	29	26.6 Å²	26.6	19%	0.188	13%	0.132	C	C	.	.			trans	-52.5	151.4	-168.8	20.1	-33.4	0	0	0	113.5	V206 I268 G273 L274	V206-P271 HydrophobicContact CG2-CG 4.12Å; I268-P271 WeakPolarHBondContact O-CD 3.4Å; P271-G273 PolarHBondContact O-N 3.29Å; P271-L274 HydrophobicContact CG-CB 3.96Å; P271-L274 HydrophobicContact CG-CD2 3.71Å; P271-L274 HydrophobicContact CG-CG 4.48Å; P271-L274 VanDerWaalsContact O-CB 3.3Å; P271-L274 WeakPolarHBondContact O-CB 3.44Å; P271-L274 PolarHBondContact O-N 3.12Å
272	P	82.8	Confident	85.7	Confident	75 Å²	75	26.1 Å²	26.1	49%	0.487	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	128.2	-173.2	-25.5	34.1	0	0	0	112.4	L274	P272-L274 VanDerWaalsContact C-N 3.31Å; P272-L274 PolarHBondContact O-N 3.35Å
273	G	77.7	Confident	85.7	Confident	7 Å²	7	25.8 Å²	25.8	7%	0.072	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-18	-178.7	0	0	0	0	0	116	P271 R400	P271-G273 PolarHBondContact O-N 3.29Å; G273-R400 WeakPolarHBondContact O-CG 3.4Å; G273-R400 PolarHBondContact O-NE 2.97Å
274	L	85.5	Confident	85.5	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.016	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-43.4	-178.3	179.7	57	0	0	0	113.3	V206 L209 F210 W236 P271 P272 R400 A401	V206-L274 HydrophobicContact CG1-CD1 3.55Å; V206-L274 HydrophobicContact CG1-CD2 4.16Å; V206-L274 HydrophobicContact CG1-CG 4.33Å; L209-L274 HydrophobicContact CD2-CD1 4.09Å; L209-L274 HydrophobicContact CD2-CD2 4.37Å; F210-L274 HydrophobicContact CE2-CD1 3.44Å; F210-L274 VanDerWaalsContact CE2-CD1 3.44Å; F210-L274 HydrophobicContact CZ-CD1 3.59Å; W236-L274 HydrophobicContact CH2-CD2 3.49Å; W236-L274 VanDerWaalsContact CH2-CD2 3.49Å; W236-L274 HydrophobicContact CZ2-CD2 4.11Å; W236-L274 HydrophobicContact CZ3-CD2 4Å; P271-L274 HydrophobicContact CG-CB 3.96Å; P271-L274 HydrophobicContact CG-CD2 3.71Å; P271-L274 HydrophobicContact CG-CG 4.48Å; P271-L274 VanDerWaalsContact O-CB 3.3Å; P271-L274 WeakPolarHBondContact O-CB 3.44Å; P271-L274 PolarHBondContact O-N 3.12Å; P272-L274 VanDerWaalsContact C-N 3.31Å; P272-L274 PolarHBondContact O-N 3.35Å; L274-R400 CarbonylContact O-C 3.36Å; L274-R400 WeakPolarHBondContact O-CA 3.28Å; L274-R400 WeakPolarHBondContact O-CG 3.27Å; L274-A401 PolarHBondContact O-N 3.22Å
275	L	89.6	Confident	85.2	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.5	-177.1	-57.9	-173.3	0	0	0	111.4	F233 V293 F295 F386 A401 L501	F233-L275 HydrophobicContact CE2-CD2 4.05Å; F233-L275 HydrophobicContact CZ-CD1 4.46Å; L275-V293 HydrophobicContact CB-CG1 4.16Å; L275-V293 WeakPolarHBondContact O-CB 3.44Å; L275-F295 HydrophobicContact CD1-CE2 4.26Å; L275-F386 HydrophobicContact CD2-CE1 3.93Å; L275-A401 WeakPolarHBondContact CA-O 3.23Å; L275-A401 HydrophobicContact CD2-CB 4.23Å; L275-L501 HydrophobicContact CD1-CD1 4.38Å; L275-L501 HydrophobicContact CD1-CD2 3.89Å
276	G	88.8	Confident	84.7	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	174.7	169.1	0	0	0	0	0	113	A401 L402 V403	G276-A401 PolarHBondContact N-O 2.94Å; G276-L402 WeakPolarHBondContact O-CA 3.36Å; G276-V403 PolarHBondContact O-N 2.81Å
277	I	88.8	Confident	84	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.8	-179.5	-48.5	-177.2	0	0	0	108.6	R378 V403 E405 L501 Q503	I277-R378 HydrophobicContact CB-CB 4.29Å; I277-R378 HydrophobicContact CD1-CB 4.48Å; I277-R378 WeakPolarHBondContact CD1-O 3.2Å; I277-R378 HydrophobicContact CG2-CB 4.14Å; I277-V403 CarbonylContact C-O 3.4Å; I277-V403 VanDerWaalsContact CA-O 3.27Å; I277-V403 WeakPolarHBondContact CA-O 3.14Å; I277-V403 HydrophobicContact CB-CG2 4.37Å; I277-V403 HydrophobicContact CG1-CG2 3.88Å; I277-V403 HydrophobicContact CG2-CG2 4.3Å; I277-E405 HydrophobicContact CG2-CB 3.95Å; I277-L501 HydrophobicContact CD1-CB 4.02Å; I277-Q503 HydrophobicContact CB-CB 4.19Å; I277-Q503 HydrophobicContact CD1-CB 3.74Å; I277-Q503 HydrophobicContact CG1-CB 3.89Å; I277-Q503 PolarHBondContact O-NE2 2.82Å
278	Y	84.2	Confident	83.5	Confident	27 Å²	27	13.9 Å²	13.9	11%	0.106	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.5	175	78.5	-80.2	0	0	0	112.8	E280 L402 V403 L404 E405 A562 N565	Y278-E280 HydrophobicContact CE2-CG 4.27Å; Y278-L402 HydrophobicContact CD1-CB 3.94Å; Y278-V403 WeakPolarHBondContact CD1-O 3.48Å; Y278-V403 PolarHBondContact N-O 2.85Å; Y278-L404 HydrophobicContact CD1-CB 4.44Å; Y278-L404 HydrophobicContact CD2-CD1 4.15Å; Y278-L404 HydrophobicContact CE1-CB 3.82Å; Y278-L404 HydrophobicContact CE1-CD1 4.35Å; Y278-L404 HydrophobicContact CE2-CD1 3.75Å; Y278-E405 WeakPolarHBondContact O-CB 3.4Å; Y278-E405 PolarHBondContact O-N 2.93Å; Y278-A562 WeakPolarHBondContact CB-O 3.18Å; Y278-N565 HydrophobicContact CE2-CB 4.41Å
279	S	78.9	Confident	83.2	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.			trans	-103.9	158.5	165.2	-174.6	0	0	0	0	108.4	S281 E405 S442 Y563 C566 S933	S279-S281 VanDerWaalsContact C-N 3.34Å; S279-S281 WeakPolarHBondContact OG-CB 3.48Å; S279-S281 PolarHBondContact OG-N 3.16Å; S279-E405 VanDerWaalsContact CB-CD 3.44Å; S279-E405 VanDerWaalsContact CB-OE1 3.26Å; S279-E405 WeakPolarHBondContact CB-OE1 3.27Å; S279-E405 WeakPolarHBondContact CB-OE2 3.42Å; S279-E405 VanDerWaalsContact OG-CD 3.27Å; S279-E405 PolarHBondContact OG-OE1 3.39Å; S279-S442 PolarHBondContact OG-OG 3.24Å; S279-Y563 WeakPolarHBondContact CB-OH 3.47Å; S279-Y563 PolarHBondContact N-OH 3.24Å; S279-Y563 VanDerWaalsContact N-OH 3.16Å; S279-C566 PolarHBondContact O-SG 2.86Å; S279-S933 PolarHBondContact OG-OG 3.37Å
280	E	73.6	Confident	82.9	Confident	21 Å²	21	14.6 Å²	14.6	10%	0.098	8%	0.083	C	C	.	.	S	Bend	trans	-91.9	-2.9	165.4	-71.1	160.1	178.9	0	0	111	Y278 L404 R440 S933 P934	Y278-E280 HydrophobicContact CE2-CG 4.27Å; E280-L404 HydrophobicContact CG-CD1 3.94Å; E280-L404 WeakPolarHBondContact OE1-CD2 3.27Å; E280-R440 IonicContact OE1-CZ 3.25Å; E280-R440 IonicContact OE1-NH1 2.96Å; E280-R440 PolarHBondContact OE1-NH1 2.85Å; E280-R440 IonicContact OE2-NH1 3.37Å; E280-R440 PolarHBondContact OE2-NH1 2.98Å; E280-S933 PolarHBondContact N-OG 3.44Å; E280-P934 HydrophobicContact CB-CG 4.06Å; E280-P934 VanDerWaalsContact OE2-CD 3.29Å; E280-P934 WeakPolarHBondContact OE2-CD 3.39Å; E280-P934 WeakPolarHBondContact OE2-CG 3.32Å
281	S	77.1	Confident	82.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.			trans	-76.6	125	177.3	178.5	0	0	0	0	112.1	S279 F283 Y563 V931 S933	S279-S281 VanDerWaalsContact C-N 3.34Å; S279-S281 WeakPolarHBondContact OG-CB 3.48Å; S279-S281 PolarHBondContact OG-N 3.16Å; S281-F283 VanDerWaalsContact C-N 3.3Å; S281-F283 PolarHBondContact O-N 3.12Å; S281-F283 PolarHBondContact OG-N 3.09Å; S281-Y563 WeakPolarHBondContact O-CE1 3.48Å; S281-V931 WeakPolarHBondContact OG-CG1 3.2Å; S281-S933 PolarHBondContact N-OG 2.93Å
282	P	82.3	Confident	82.7	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.019	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.8	176.8	33.7	-37.9	0	0	0	113.8	L284 L515 W651 F662	P282-L284 VanDerWaalsContact C-N 3.35Å; P282-L284 PolarHBondContact O-N 3.08Å; P282-L515 HydrophobicContact CB-CD1 3.82Å; P282-L515 HydrophobicContact CB-CD2 3.87Å; P282-L515 HydrophobicContact CG-CD1 3.65Å; P282-W651 HydrophobicContact CG-CH2 3.83Å; P282-W651 HydrophobicContact CG-CZ2 4.16Å; P282-F662 HydrophobicContact CB-CB 4.36Å; P282-F662 HydrophobicContact CB-CD1 3.51Å; P282-F662 HydrophobicContact CB-CD2 4.17Å; P282-F662 HydrophobicContact CB-CE1 3.67Å; P282-F662 HydrophobicContact CB-CE2 4.29Å; P282-F662 HydrophobicContact CB-CG 3.77Å; P282-F662 HydrophobicContact CB-CZ 4.05Å; P282-F662 HydrophobicContact CG-CB 4Å; P282-F662 HydrophobicContact CG-CD1 4Å; P282-F662 HydrophobicContact CG-CD2 3.85Å; P282-F662 HydrophobicContact CG-CE1 4.41Å; P282-F662 HydrophobicContact CG-CE2 4.25Å; P282-F662 HydrophobicContact CG-CG 3.7Å
283	F	85.1	Confident	83.1	Confident	4 Å²	4	13.5 Å²	13.5	2%	0.018	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.7	-170.6	-63.9	-77.3	0	0	0	114.7	S281 A509 Y510 V512 L515 M646 W651 V931	S281-F283 VanDerWaalsContact C-N 3.3Å; S281-F283 PolarHBondContact O-N 3.12Å; S281-F283 PolarHBondContact OG-N 3.09Å; F283-A509 VanDerWaalsContact O-CA 3.32Å; F283-A509 WeakPolarHBondContact O-CA 3.5Å; F283-Y510 PolarHBondContact O-N 2.87Å; F283-V512 HydrophobicContact CE1-CG2 4.23Å; F283-L515 HydrophobicContact CD1-CD1 3.56Å; F283-L515 HydrophobicContact CE1-CD1 3.51Å; F283-L515 HydrophobicContact CG-CD1 4.15Å; F283-L515 HydrophobicContact CZ-CD1 4.06Å; F283-M646 HydrophobicContact CD1-CB 4.49Å; F283-M646 HydrophobicContact CD1-CE 4.22Å; F283-M646 HydrophobicContact CD1-CG 3.95Å; F283-M646 HydrophobicContact CD1-SD 4.32Å; F283-M646 HydrophobicContact CE1-CB 3.76Å; F283-M646 HydrophobicContact CE1-CG 3.66Å; F283-M646 HydrophobicContact CE1-SD 4.06Å; F283-M646 HydrophobicContact CE2-CB 4.12Å; F283-M646 HydrophobicContact CE2-CG 4.39Å; F283-M646 HydrophobicContact CG-CG 4.44Å; F283-M646 HydrophobicContact CZ-CB 3.55Å; F283-M646 HydrophobicContact CZ-CG 3.92Å; F283-W651 HydrophobicContact CE2-CH2 4.29Å; F283-W651 AromaticContact CE2-CZ2 3.95Å; F283-W651 HydrophobicContact CE2-CZ2 3.95Å; F283-V931 HydrophobicContact CD2-CG1 4.03Å
284	L	83.1	Confident	83.8	Confident	3 Å²	3	14.8 Å²	14.8	2%	0.016	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	103.8	-177.2	-69.2	173.1	0	0	0	110.2	P282 P286 R374 V376 R378 A509 V931	P282-L284 VanDerWaalsContact C-N 3.35Å; P282-L284 PolarHBondContact O-N 3.08Å; L284-P286 WeakPolarHBondContact O-CD 3.49Å; L284-R374 HydrophobicContact CD2-CB 4.27Å; L284-R374 HydrophobicContact CD2-CG 3.91Å; L284-V376 HydrophobicContact CD1-CG1 4.45Å; L284-V376 HydrophobicContact CD1-CG2 4.24Å; L284-V376 HydrophobicContact CD2-CG2 4.34Å; L284-R378 PolarHBondContact O-NH2 3.33Å; L284-A509 HydrophobicContact CD2-CB 4.03Å; L284-V931 HydrophobicContact CD1-CG2 3.89Å; L284-V931 HydrophobicContact CG-CG2 4.4Å
285	R	80.2	Confident	84.2	Confident	21 Å²	21	14.7 Å²	14.7	8%	0.079	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.9	-178.5	-170.2	-174.9	-166.9	80.6	14.3	111	V287 D507 R508 Y510 F530 I531	R285-V287 PolarHBondContact O-N 3.01Å; R285-D507 CarbonylContact O-C 3.45Å; R285-D507 WeakPolarHBondContact O-CA 3.21Å; R285-R508 PolarHBondContact N-O 3.2Å; R285-R508 PolarHBondContact O-N 3.48Å; R285-Y510 HydrophobicContact CB-CD2 4.15Å; R285-Y510 HydrophobicContact CB-CE2 3.64Å; R285-Y510 HydrophobicContact CG-CE2 4.39Å; R285-F530 PolarHBondContact NE-O 3.06Å; R285-F530 PolarHBondContact NH1-O 2.84Å; R285-I531 VanDerWaalsContact CZ-O 3.32Å; R285-I531 PolarHBondContact NE-O 3.05Å; R285-I531 PolarHBondContact NH2-O 3.25Å
286	P	79.8	Confident	84.3	Confident	9 Å²	9	14.5 Å²	14.5	6%	0.058	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	130	168.5	-27.1	36.7	0	0	0	112.8	L284 T505 D507 V559 Y563	L284-P286 WeakPolarHBondContact O-CD 3.49Å; P286-T505 HydrophobicContact CB-CG2 3.89Å; P286-T505 HydrophobicContact CG-CG2 4.39Å; P286-D507 WeakPolarHBondContact CA-OD1 3.33Å; P286-D507 WeakPolarHBondContact CD-OD2 3.44Å; P286-D507 WeakPolarHBondContact CG-OD2 3.48Å; P286-V559 HydrophobicContact CB-CB 3.71Å; P286-V559 HydrophobicContact CB-CG1 3.73Å; P286-V559 HydrophobicContact CB-CG2 3.73Å; P286-V559 HydrophobicContact CG-CG1 4.39Å; P286-Y563 HydrophobicContact CG-CD2 4.47Å; P286-Y563 HydrophobicContact CG-CE2 3.64Å
287	V	76.6	Confident	84	Confident	22 Å²	22	16.2 Å²	16.2	13%	0.133	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-46.1	174.7	-177.7	0	0	0	0	110	R285 W373 L506 R508 L536	R285-V287 PolarHBondContact O-N 3.01Å; V287-W373 HydrophobicContact CB-CH2 4.44Å; V287-W373 HydrophobicContact CB-CZ3 3.97Å; V287-W373 HydrophobicContact CG1-CH2 4.43Å; V287-W373 HydrophobicContact CG1-CZ3 4.39Å; V287-W373 HydrophobicContact CG2-CH2 4.07Å; V287-W373 HydrophobicContact CG2-CZ3 3.71Å; V287-L506 PolarHBondContact N-O 3.41Å; V287-R508 HydrophobicContact CG2-CB 4.39Å; V287-L536 HydrophobicContact CG1-CD1 3.96Å; V287-L536 HydrophobicContact CG1-CG 4.21Å
288	V	79.4	Confident	82.9	Confident	15 Å²	15	16.4 Å²	16.4	9%	0.091	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.1	-178.9	-170.9	0	0	0	0	110.8	L290 T505 L506 L536 L544 L554	V288-L290 PolarHBondContact O-N 2.94Å; V288-T505 CarbonylContact O-C 3.21Å; V288-T505 WeakPolarHBondContact O-CA 3.47Å; V288-L506 HydrophobicContact CB-CB 4.16Å; V288-L506 HydrophobicContact CG2-CD2 4.4Å; V288-L506 PolarHBondContact N-O 3.44Å; V288-L506 PolarHBondContact O-N 2.98Å; V288-L536 HydrophobicContact CG2-CD1 3.64Å; V288-L544 HydrophobicContact CG2-CB 4.43Å; V288-L554 HydrophobicContact CG2-CD1 4.43Å
289	L	84.3	Confident	81.7	Confident	31 Å²	31	17.3 Å²	17.3	16%	0.162	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	110.5	171.6	-178.1	64	0	0	0	110	R291 V293 Q503 T505 V559	L289-R291 WeakPolarHBondContact CD1-O 3.18Å; L289-R291 WeakPolarHBondContact CG-O 3.24Å; L289-V293 HydrophobicContact CD1-CG2 3.8Å; L289-V293 HydrophobicContact CD2-CG2 4.21Å; L289-Q503 HydrophobicContact CD1-CG 3.85Å; L289-T505 HydrophobicContact CD1-CG2 3.88Å; L289-V559 HydrophobicContact CB-CG2 4.25Å
290	L	86.6	Confident	80.6	Confident	31 Å²	31	23.1 Å²	23.1	16%	0.162	13%	0.132	C	C	.	.	S	Bend	trans	-83.3	-10.4	-173.3	-63.8	175.2	0	0	0	114.1	V288 L353 L355 V359 V375 V504 L506	V288-L290 PolarHBondContact O-N 2.94Å; L290-L353 HydrophobicContact CB-CD1 4.05Å; L290-L355 HydrophobicContact CD1-CD2 3.95Å; L290-V359 HydrophobicContact CD2-CG2 3.85Å; L290-V375 HydrophobicContact CD1-CG1 4.05Å; L290-V375 HydrophobicContact CD1-CG2 4.46Å; L290-V504 HydrophobicContact CD1-CG1 4.39Å; L290-V504 PolarHBondContact N-O 3.5Å; L290-L506 HydrophobicContact CD1-CB 4.03Å; L290-L506 HydrophobicContact CD2-CB 4.09Å; L290-L506 HydrophobicContact CG-CB 4.07Å
291	R	86.3	Confident	80	Confident	37 Å²	37	24.2 Å²	24.2	14%	0.14	14%	0.14	C	C	.	.	S	Bend	trans	-155.5	154.6	168	63	169.3	-69	-173.1	8.9	110.4	L289 V293 Y349 F351 L353 V504	L289-R291 WeakPolarHBondContact CD1-O 3.18Å; L289-R291 WeakPolarHBondContact CG-O 3.24Å; R291-V293 PolarHBondContact O-N 3.5Å; R291-Y349 PolarHBondContact NH2-OH 3.37Å; R291-Y349 VanDerWaalsContact NH2-OH 3.09Å; R291-F351 VanDerWaalsContact NH1-CD1 3.33Å; R291-L353 HydrophobicContact CB-CD1 4.37Å; R291-V504 HydrophobicContact CG-CB 4.12Å; R291-V504 HydrophobicContact CG-CG2 4.3Å
292	R	86.2	Confident	79.3	Confident	39 Å²	39	26.1 Å²	26.1	15%	0.147	15%	0.15	C	C	.	.			trans	-49.1	132.9	167	174.6	178.6	171.1	165.8	-7.4	110.9	N266 W267 S270	N266-R292 PolarHBondContact O-NH2 3.13Å; W267-R292 VanDerWaalsContact CA-NH2 3.34Å; W267-R292 VanDerWaalsContact CZ3-NH1 3.3Å; W267-R292 PolarHBondContact O-NH2 3.38Å; S270-R292 PolarHBondContact O-NE 2.87Å; S270-R292 PolarHBondContact O-NH2 2.94Å; S270-R292 PolarHBondContact OG-NH2 3.49Å
293	V	90.8	Very high	78.2	Confident	6 Å²	6	31.2 Å²	31.2	4%	0.036	18%	0.183	C	C	.	.			trans	-74	127.1	170	-175.6	0	0	0	0	108.8	L275 L289 R291 V502 Q503	L275-V293 HydrophobicContact CB-CG1 4.16Å; L275-V293 WeakPolarHBondContact O-CB 3.44Å; L289-V293 HydrophobicContact CD1-CG2 3.8Å; L289-V293 HydrophobicContact CD2-CG2 4.21Å; R291-V293 PolarHBondContact O-N 3.5Å; V293-V502 WeakPolarHBondContact CA-O 3.45Å; V293-Q503 HydrophobicContact CG1-CB 4.42Å; V293-Q503 HydrophobicContact CG2-CB 3.89Å; V293-Q503 HydrophobicContact CG2-CG 3.89Å
294	Q	92.7	Very high	77.3	Confident	35 Å²	35	37.6 Å²	37.6	16%	0.164	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	165.7	-175.5	61.9	-179.6	96.4	0	0	110.3	V502	Q294-V502 PolarHBondContact O-N 2.89Å
295	F	94.4	Very high	76.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.7	169.9	-64.2	-90.1	0	0	0	110.5	F233 N266 I269 L275 A297 A382 L496 I497 L499 P500 L501	F233-F295 HydrophobicContact CE1-CZ 4.32Å; F233-F295 HydrophobicContact CZ-CZ 4.44Å; N266-F295 PolarHBondContact ND2-O 3.35Å; N266-F295 WeakPolarHBondContact OD1-CD2 3.47Å; N266-F295 PolarHBondContact OD1-N 3.08Å; N266-F295 VanDerWaalsContact OD1-N 3.12Å; I269-F295 HydrophobicContact CD1-CD2 4.23Å; I269-F295 HydrophobicContact CD1-CE2 3.66Å; I269-F295 HydrophobicContact CD1-CZ 4.27Å; I269-F295 HydrophobicContact CG1-CD2 4.34Å; I269-F295 HydrophobicContact CG1-CE2 3.88Å; L275-F295 HydrophobicContact CD1-CE2 4.26Å; F295-A297 PolarHBondContact O-N 3.12Å; F295-A382 HydrophobicContact CE1-CB 3.51Å; F295-A382 HydrophobicContact CZ-CB 3.42Å; F295-A382 VanDerWaalsContact CZ-CB 3.42Å; F295-L496 HydrophobicContact CB-CD1 3.74Å; F295-L496 WeakPolarHBondContact CD1-O 3.19Å; F295-L496 HydrophobicContact CD2-CD1 4.41Å; F295-L496 HydrophobicContact CD2-CG 4.46Å; F295-L496 HydrophobicContact CG-CD1 4.08Å; F295-L496 HydrophobicContact CG-CG 4.4Å; F295-I497 HydrophobicContact CE1-CB 4.47Å; F295-I497 HydrophobicContact CE1-CG1 4.44Å; F295-I497 HydrophobicContact CZ-CG1 4.12Å; F295-L499 WeakPolarHBondContact CD1-O 3.38Å; F295-P500 CarbonylContact C-O 3.58Å; F295-P500 WeakPolarHBondContact CA-O 3.32Å; F295-L501 HydrophobicContact CD1-CD2 3.83Å; F295-L501 HydrophobicContact CD1-CG 4.25Å; F295-L501 HydrophobicContact CD2-CD2 3.82Å; F295-L501 HydrophobicContact CE1-CD2 3.79Å; F295-L501 HydrophobicContact CE1-CG 4.04Å; F295-L501 HydrophobicContact CE2-CD2 3.77Å; F295-L501 HydrophobicContact CG-CD2 3.85Å; F295-L501 HydrophobicContact CZ-CD2 3.77Å; F295-L501 HydrophobicContact CZ-CG 4.33Å
296	T	91.7	Very high	76.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.			trans	-58.1	138.6	165.2	63	0	0	0	0	109.5	P298 Y349 W468 L499 P500 V502	T296-P298 VanDerWaalsContact C-CD 3.49Å; T296-P298 VanDerWaalsContact O-CD 3.23Å; T296-P298 WeakPolarHBondContact O-CD 3.4Å; T296-Y349 HydrophobicContact CG2-CD1 3.56Å; T296-Y349 HydrophobicContact CG2-CE1 4.19Å; T296-Y349 HydrophobicContact CG2-CG 4.05Å; T296-W468 HydrophobicContact CG2-CH2 3.75Å; T296-W468 HydrophobicContact CG2-CZ2 4.34Å; T296-W468 HydrophobicContact CG2-CZ3 4.21Å; T296-W468 WeakPolarHBondContact OG1-CH2 3.33Å; T296-L499 WeakPolarHBondContact O-CD1 3.3Å; T296-P500 HydrophobicContact CG2-CB 4.19Å; T296-P500 HydrophobicContact CG2-CG 4.4Å; T296-P500 PolarHBondContact N-O 2.71Å; T296-V502 HydrophobicContact CG2-CG2 3.5Å; T296-V502 VanDerWaalsContact CG2-CG2 3.5Å
297	A	81.8	Confident	75.9	Confident	36 Å²	36	44.7 Å²	44.7	30%	0.298	26%	0.261	S	S	.	.			trans	-111.9	80.3	170.3	0	0	0	0	0	108.7	F295 G299 Y349	F295-A297 PolarHBondContact O-N 3.12Å; A297-G299 PolarHBondContact O-N 2.98Å; A297-Y349 HydrophobicContact CB-CE2 4.22Å; A297-Y349 VanDerWaalsContact O-CD2 3.28Å; A297-Y349 WeakPolarHBondContact O-CD2 3.23Å
298	P	66.2	Low	75.6	Confident	5 Å²	5	47 Å²	47	3%	0.032	28%	0.276	C	S	.	.			trans	-68.9	105.5	-174.9	28.4	-34.3	0	0	0	110.2	T296 N300 M347 T348 W468 L499	T296-P298 VanDerWaalsContact C-CD 3.49Å; T296-P298 VanDerWaalsContact O-CD 3.23Å; T296-P298 WeakPolarHBondContact O-CD 3.4Å; P298-N300 PolarHBondContact O-N 2.9Å; P298-N300 VanDerWaalsContact O-N 3.16Å; P298-M347 HydrophobicContact CB-CB 4.13Å; P298-M347 HydrophobicContact CB-CE 3.98Å; P298-M347 HydrophobicContact CG-CE 3.35Å; P298-M347 HydrophobicContact CG-SD 4.01Å; P298-T348 WeakPolarHBondContact CA-O 3.44Å; P298-T348 WeakPolarHBondContact CB-O 3.26Å; P298-W468 HydrophobicContact CB-CH2 4.3Å; P298-L499 HydrophobicContact CG-CD1 4.11Å; P298-L499 HydrophobicContact CG-CD2 4.02Å
299	G	58	Low	75.1	Confident	45 Å²	45	52.5 Å²	52.5	46%	0.464	30%	0.304	S	S	.	.			trans	-71	-7.6	-171.8	0	0	0	0	0	115.7	A297	A297-G299 PolarHBondContact O-N 2.98Å
300	N	57.2	Low	74.9	Confident	123 Å²	123	55.2 Å²	55.2	66%	0.658	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.6	157	176.7	-84.9	-66.7	0	0	0	111.2	P298	P298-N300 PolarHBondContact O-N 2.9Å; P298-N300 VanDerWaalsContact O-N 3.16Å
301	V	59.4	Low	74.7	Confident	44 Å²	44	55.7 Å²	55.7	27%	0.267	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	148.5	151.4	-177.5	0	0	0	0	108	W252 P303	W252-V301 HydrophobicContact CD2-CG2 4.49Å; W252-V301 HydrophobicContact CE3-CG2 4.25Å; W252-V301 HydrophobicContact CH2-CB 4.15Å; W252-V301 HydrophobicContact CH2-CG2 3.19Å; W252-V301 HydrophobicContact CZ2-CG2 3.42Å; W252-V301 VanDerWaalsContact CZ2-CG2 3.42Å; W252-V301 HydrophobicContact CZ3-CG2 3.64Å; V301-P303 WeakPolarHBondContact O-CD 3.4Å
302	N	62.5	Low	74.6	Confident	39 Å²	39	54.3 Å²	54.3	21%	0.209	32%	0.317	C	S	.	.			trans	-98	87.1	167.2	-167.4	-12.1	0	0	0	111.3	N304 I305 Y346 T348	N302-N304 PolarHBondContact O-N 3.41Å; N302-N304 WeakPolarHBondContact OD1-CB 3.4Å; N302-N304 PolarHBondContact OD1-N 3.32Å; N302-N304 PolarHBondContact OD1-ND2 3.13Å; N302-I305 HydrophobicContact CB-CD1 3.86Å; N302-I305 HydrophobicContact CB-CG1 4.16Å; N302-I305 PolarHBondContact O-N 3.49Å; N302-I305 VanDerWaalsContact O-N 3.15Å; N302-Y346 PolarHBondContact N-O 3.2Å; N302-T348 PolarHBondContact ND2-OG1 2.63Å
303	P	60.5	Low	74.6	Confident	110 Å²	110	58 Å²	58	71%	0.714	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-6.5	-175.9	31.1	-39.3	0	0	0	113.7	V301 I305	V301-P303 WeakPolarHBondContact O-CD 3.4Å; P303-I305 VanDerWaalsContact C-N 3.32Å
304	N	65.5	Low	74.4	Confident	138 Å²	138	60.6 Å²	60.6	74%	0.738	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.1	178.1	-48.9	-74.4	0	0	0	112.6	N302 P306	N302-N304 PolarHBondContact O-N 3.41Å; N302-N304 WeakPolarHBondContact OD1-CB 3.4Å; N302-N304 PolarHBondContact OD1-N 3.32Å; N302-N304 PolarHBondContact OD1-ND2 3.13Å; N304-P306 WeakPolarHBondContact O-CD 3.47Å
305	I	69.4	Low	74.1	Confident	51 Å²	51	60.4 Å²	60.4	26%	0.262	35%	0.349	S	S	.	.	S	Bend	trans	-84.8	113.5	174.1	-60.2	174.7	0	0	0	107.7	N302 P303 D307 Y346 T467	N302-I305 HydrophobicContact CB-CD1 3.86Å; N302-I305 HydrophobicContact CB-CG1 4.16Å; N302-I305 PolarHBondContact O-N 3.49Å; N302-I305 VanDerWaalsContact O-N 3.15Å; P303-I305 VanDerWaalsContact C-N 3.32Å; I305-D307 PolarHBondContact O-N 3.09Å; I305-Y346 HydrophobicContact CB-CD2 4.29Å; I305-Y346 HydrophobicContact CB-CG 4.41Å; I305-Y346 HydrophobicContact CD1-CD1 4.38Å; I305-Y346 HydrophobicContact CD1-CG 4.17Å; I305-Y346 HydrophobicContact CG2-CD1 4.33Å; I305-Y346 HydrophobicContact CG2-CD2 3.56Å; I305-Y346 HydrophobicContact CG2-CE2 3.8Å; I305-Y346 HydrophobicContact CG2-CG 3.87Å; I305-T467 HydrophobicContact CD1-CG2 3.52Å
306	P	71.2	Confident	73.8	Confident	90 Å²	90	65.1 Å²	65.1	58%	0.584	37%	0.367	S	S	*	.			trans	-67.7	134.8	177.2	28	-33.2	0	0	0	110	N304 T308	N304-P306 WeakPolarHBondContact O-CD 3.47Å; P306-T308 PolarHBondContact O-N 2.78Å; P306-T308 PolarHBondContact O-OG1 3.44Å
307	D	73.1	Confident	73.6	Confident	42 Å²	42	70.5 Å²	70.5	23%	0.225	39%	0.392	C	S	.	.			trans	-65.4	74.5	171.2	179.3	28	0	0	0	110.5	I305 N310 M311 V312 R313	I305-D307 PolarHBondContact O-N 3.09Å; D307-N310 PolarHBondContact O-N 2.71Å; D307-N310 WeakPolarHBondContact OD1-CA 3.48Å; D307-N310 WeakPolarHBondContact OD2-CA 3.31Å; D307-M311 PolarHBondContact OD1-N 3.23Å; D307-M311 VanDerWaalsContact OD1-N 3.08Å; D307-V312 HydrophobicContact CB-CB 4.46Å; D307-V312 WeakPolarHBondContact OD1-CA 3.47Å; D307-V312 VanDerWaalsContact OD1-CB 3.31Å; D307-V312 WeakPolarHBondContact OD1-CB 3.33Å; D307-V312 WeakPolarHBondContact OD1-CG2 3.36Å; D307-V312 PolarHBondContact OD1-N 3.23Å; D307-R313 WeakPolarHBondContact OD2-CB 3.37Å; D307-R313 IonicContact OD2-CZ 3.46Å; D307-R313 PolarHBondContact OD2-N 3.34Å; D307-R313 IonicContact OD2-NH1 2.74Å; D307-R313 PolarHBondContact OD2-NH1 3.4Å; D307-R313 IonicContact OD2-NH2 3.77Å; D307-R313 PolarHBondContact OD2-NH2 2.96Å
308	T	69.6	Low	73.8	Confident	71 Å²	71	73.1 Å²	73.1	44%	0.436	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-71.5	134.9	-173.6	-54	0	0	0	0	108.4	P306 N310 M311	P306-T308 PolarHBondContact O-N 2.78Å; P306-T308 PolarHBondContact O-OG1 3.44Å; T308-N310 PolarHBondContact O-N 3.25Å; T308-M311 PolarHBondContact O-N 2.83Å
309	D	70.6	Confident	74.8	Confident	130 Å²	130	73 Å²	73	70%	0.695	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	55.4	16.3	-171.8	-51.6	-41.8	0	0	0	114.8	M311	D309-M311 HydrophobicContact CB-CG 4.37Å; D309-M311 PolarHBondContact O-N 2.93Å
310	N	79.8	Confident	76.3	Confident	87 Å²	87	72.9 Å²	72.9	47%	0.465	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	62.4	19.6	-178.8	-49.6	-68	0	0	0	115.1	D307 T308 V312 R313 S314	D307-N310 PolarHBondContact O-N 2.71Å; D307-N310 WeakPolarHBondContact OD1-CA 3.48Å; D307-N310 WeakPolarHBondContact OD2-CA 3.31Å; T308-N310 PolarHBondContact O-N 3.25Å; N310-V312 PolarHBondContact O-N 2.89Å; N310-R313 PolarHBondContact O-N 3.28Å; N310-R313 PolarHBondContact OD1-NH1 3.1Å; N310-S314 PolarHBondContact O-N 3.36Å; N310-S314 PolarHBondContact O-OG 3.2Å
311	M	80.9	Confident	77.7	Confident	42 Å²	42	68.7 Å²	68.7	21%	0.207	37%	0.37	C	S	.	.	H	α-helix	trans	-57.2	-44	-173.8	-66.4	-170.8	-66.8	0	0	113.4	D307 T308 D309 S314 L315	D307-M311 PolarHBondContact OD1-N 3.23Å; D307-M311 VanDerWaalsContact OD1-N 3.08Å; T308-M311 PolarHBondContact O-N 2.83Å; D309-M311 HydrophobicContact CB-CG 4.37Å; D309-M311 PolarHBondContact O-N 2.93Å; M311-S314 PolarHBondContact O-N 2.93Å; M311-L315 WeakPolarHBondContact O-CB 3.47Å; M311-L315 WeakPolarHBondContact O-CD1 3.02Å; M311-L315 WeakPolarHBondContact O-CG 3.16Å; M311-L315 PolarHBondContact O-N 3.07Å
312	V	84.5	Confident	79	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.048	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-43.4	-179.8	-174.9	0	0	0	0	110.1	D307 N310 R316 Y346 L469	D307-V312 HydrophobicContact CB-CB 4.46Å; D307-V312 WeakPolarHBondContact OD1-CA 3.47Å; D307-V312 VanDerWaalsContact OD1-CB 3.31Å; D307-V312 WeakPolarHBondContact OD1-CB 3.33Å; D307-V312 WeakPolarHBondContact OD1-CG2 3.36Å; D307-V312 PolarHBondContact OD1-N 3.23Å; N310-V312 PolarHBondContact O-N 2.89Å; V312-R316 WeakPolarHBondContact O-CB 3.31Å; V312-R316 PolarHBondContact O-N 2.92Å; V312-Y346 HydrophobicContact CG2-CD2 3.5Å; V312-Y346 HydrophobicContact CG2-CE2 3.45Å; V312-Y346 VanDerWaalsContact CG2-CE2 3.45Å; V312-L469 HydrophobicContact CG2-CD1 3.96Å
313	R	86.4	Confident	80.1	Confident	115 Å²	115	68.4 Å²	68.4	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-63.2	-49.1	177.3	-175.3	-179.4	-55.9	84.4	9.9	111.7	D307 N310 L315 R316 E317	D307-R313 WeakPolarHBondContact OD2-CB 3.37Å; D307-R313 IonicContact OD2-CZ 3.46Å; D307-R313 PolarHBondContact OD2-N 3.34Å; D307-R313 IonicContact OD2-NH1 2.74Å; D307-R313 PolarHBondContact OD2-NH1 3.4Å; D307-R313 IonicContact OD2-NH2 3.77Å; D307-R313 PolarHBondContact OD2-NH2 2.96Å; N310-R313 PolarHBondContact O-N 3.28Å; N310-R313 PolarHBondContact OD1-NH1 3.1Å; R313-L315 PolarHBondContact O-N 3.08Å; R313-R316 PolarHBondContact O-N 2.78Å; R313-E317 WeakPolarHBondContact CD-OE1 3.36Å; R313-E317 HydrophobicContact CG-CG 4.34Å; R313-E317 VanDerWaalsContact CG-OE1 3.23Å; R313-E317 WeakPolarHBondContact CG-OE1 3.4Å; R313-E317 WeakPolarHBondContact O-CB 3.37Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.24Å; R313-E317 PolarHBondContact O-N 3.42Å
314	S	86.7	Confident	81.3	Confident	61 Å²	61	67.4 Å²	67.4	43%	0.427	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-36.3	-179.7	-64.7	0	0	0	0	113	N310 M311 M318	N310-S314 PolarHBondContact O-N 3.36Å; N310-S314 PolarHBondContact O-OG 3.2Å; M311-S314 PolarHBondContact O-N 2.93Å; S314-M318 VanDerWaalsContact O-CB 3.28Å; S314-M318 WeakPolarHBondContact O-CB 3.04Å; S314-M318 PolarHBondContact O-N 3.26Å
315	L	86.9	Confident	82.1	Confident	32 Å²	32	68.1 Å²	68.1	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-69.5	-34.7	173.6	-67.8	165.9	0	0	0	112	M311 R313 A319 T344 L469 A471 E474	M311-L315 WeakPolarHBondContact O-CB 3.47Å; M311-L315 WeakPolarHBondContact O-CD1 3.02Å; M311-L315 WeakPolarHBondContact O-CG 3.16Å; M311-L315 PolarHBondContact O-N 3.07Å; R313-L315 PolarHBondContact O-N 3.08Å; L315-A319 VanDerWaalsContact O-CB 3.31Å; L315-A319 WeakPolarHBondContact O-CB 3.15Å; L315-A319 PolarHBondContact O-N 2.59Å; L315-T344 HydrophobicContact CB-CG2 3.59Å; L315-L469 HydrophobicContact CD1-CD1 4.49Å; L315-L469 HydrophobicContact CD1-CD2 3.75Å; L315-L469 HydrophobicContact CD1-CG 4.28Å; L315-A471 HydrophobicContact CD1-CB 4.21Å; L315-E474 HydrophobicContact CD2-CB 4.42Å; L315-E474 HydrophobicContact CD2-CG 3.69Å
316	R	87.8	Confident	82.8	Confident	99 Å²	99	68 Å²	68	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-46.3	174.8	-174.5	176.5	-61.2	171.2	1.5	111.7	V312 R313 M318 A319 D320 T344 D345	V312-R316 WeakPolarHBondContact O-CB 3.31Å; V312-R316 PolarHBondContact O-N 2.92Å; R313-R316 PolarHBondContact O-N 2.78Å; R316-M318 VanDerWaalsContact C-N 3.27Å; R316-M318 PolarHBondContact O-N 3.41Å; R316-A319 PolarHBondContact O-N 3.44Å; R316-D320 WeakPolarHBondContact O-CB 3.25Å; R316-D320 PolarHBondContact O-N 3.02Å; R316-T344 HydrophobicContact CB-CG2 4.4Å; R316-T344 PolarHBondContact NE-O 2.99Å; R316-T344 VanDerWaalsContact NE-O 3.12Å; R316-T344 PolarHBondContact NH2-O 2.9Å; R316-D345 IonicContact CZ-OD2 3.47Å; R316-D345 IonicContact NH2-OD1 3.2Å; R316-D345 IonicContact NH2-OD2 2.68Å; R316-D345 PolarHBondContact NH2-OD2 2.85Å
317	E	87.8	Confident	83.2	Confident	112 Å²	112	69.5 Å²	69.5	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-58.5	-38.8	172.9	-73.2	168	179.9	0	0	111.4	R313 A321	R313-E317 WeakPolarHBondContact CD-OE1 3.36Å; R313-E317 HydrophobicContact CG-CG 4.34Å; R313-E317 VanDerWaalsContact CG-OE1 3.23Å; R313-E317 WeakPolarHBondContact CG-OE1 3.4Å; R313-E317 WeakPolarHBondContact O-CB 3.37Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.24Å; R313-E317 PolarHBondContact O-N 3.42Å; E317-A321 WeakPolarHBondContact O-CB 3.31Å; E317-A321 PolarHBondContact O-N 2.63Å
318	M	86.1	Confident	83.4	Confident	92 Å²	92	69.3 Å²	69.3	45%	0.453	37%	0.366	S	S	.	.	H	α-helix	trans	-69.2	-41.6	175.1	-169.1	175	-61.9	0	0	112.7	S314 R316 A321 K322 E474	S314-M318 VanDerWaalsContact O-CB 3.28Å; S314-M318 WeakPolarHBondContact O-CB 3.04Å; S314-M318 PolarHBondContact O-N 3.26Å; R316-M318 VanDerWaalsContact C-N 3.27Å; R316-M318 PolarHBondContact O-N 3.41Å; M318-A321 PolarHBondContact O-N 2.86Å; M318-K322 WeakPolarHBondContact O-CG 3.28Å; M318-K322 PolarHBondContact O-N 3.25Å; M318-E474 WeakPolarHBondContact CG-OE1 3.31Å; M318-E474 VanDerWaalsContact SD-CD 3.54Å; M318-E474 HydrophobicContact SD-CG 4.39Å
319	A	87.5	Confident	83.6	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-48.8	174.8	0	0	0	0	0	111.6	L315 R316 A321 K322 V323 A337 L473	L315-A319 VanDerWaalsContact O-CB 3.31Å; L315-A319 WeakPolarHBondContact O-CB 3.15Å; L315-A319 PolarHBondContact O-N 2.59Å; R316-A319 PolarHBondContact O-N 3.44Å; A319-A321 VanDerWaalsContact C-N 3.33Å; A319-A321 PolarHBondContact O-N 2.86Å; A319-K322 WeakPolarHBondContact O-CB 3.43Å; A319-K322 PolarHBondContact O-N 3.47Å; A319-V323 PolarHBondContact O-N 3.15Å; A319-A337 HydrophobicContact CB-CB 3.66Å; A319-L473 HydrophobicContact CB-CB 4.47Å; A319-L473 HydrophobicContact CB-CD1 4.07Å
320	D	88.5	Confident	83.3	Confident	43 Å²	43	63.3 Å²	63.3	23%	0.23	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-40.8	175.5	-71.2	-32.6	0	0	0	111.1	R316 K322 V323 T324 S336 A337	R316-D320 WeakPolarHBondContact O-CB 3.25Å; R316-D320 PolarHBondContact O-N 3.02Å; D320-K322 VanDerWaalsContact C-N 3.34Å; D320-K322 PolarHBondContact O-N 3.33Å; D320-V323 PolarHBondContact O-N 3.01Å; D320-T324 WeakPolarHBondContact O-CB 3.44Å; D320-T324 WeakPolarHBondContact O-CG2 3.38Å; D320-T324 PolarHBondContact O-N 2.88Å; D320-T324 PolarHBondContact O-OG1 3.35Å; D320-S336 VanDerWaalsContact OD1-CA 3.31Å; D320-S336 WeakPolarHBondContact OD1-CA 3.19Å; D320-S336 WeakPolarHBondContact OD1-CB 3.38Å; D320-A337 WeakPolarHBondContact OD1-CB 3.47Å; D320-A337 PolarHBondContact OD1-N 2.83Å
321	A	87.1	Confident	82.5	Confident	36 Å²	36	65.7 Å²	65.7	30%	0.298	36%	0.357	S	S	.	.	H	α-helix	trans	-67.5	-28.4	175.4	0	0	0	0	0	113.9	E317 M318 A319 T324 K325	E317-A321 WeakPolarHBondContact O-CB 3.31Å; E317-A321 PolarHBondContact O-N 2.63Å; M318-A321 PolarHBondContact O-N 2.86Å; A319-A321 VanDerWaalsContact C-N 3.33Å; A319-A321 PolarHBondContact O-N 2.86Å; A321-T324 WeakPolarHBondContact CA-OG1 3.04Å; A321-K325 WeakPolarHBondContact O-CB 3.41Å; A321-K325 VanDerWaalsContact O-CD 3.3Å; A321-K325 WeakPolarHBondContact O-CD 3.33Å; A321-K325 WeakPolarHBondContact O-CG 3.14Å
322	K	85.7	Confident	81.6	Confident	69 Å²	69	71.1 Å²	71.1	30%	0.3	38%	0.381	S	S	.	.	H	α-helix	trans	-71	-48.1	171.3	-81.4	174.4	173.1	172.9	0	111	M318 A319 D320 K325 Y326 L473 E474	M318-K322 WeakPolarHBondContact O-CG 3.28Å; M318-K322 PolarHBondContact O-N 3.25Å; A319-K322 WeakPolarHBondContact O-CB 3.43Å; A319-K322 PolarHBondContact O-N 3.47Å; D320-K322 VanDerWaalsContact C-N 3.34Å; D320-K322 PolarHBondContact O-N 3.33Å; K322-K325 PolarHBondContact O-N 3.28Å; K322-Y326 WeakPolarHBondContact O-CB 3.38Å; K322-Y326 PolarHBondContact O-N 2.9Å; K322-L473 HydrophobicContact CB-CD1 4.41Å; K322-L473 HydrophobicContact CD-CB 4.2Å; K322-L473 PolarHBondContact NZ-O 2.91Å; K322-E474 WeakPolarHBondContact CE-OE1 3.41Å; K322-E474 IonicContact NZ-OE1 3.92Å; K322-E474 PolarHBondContact NZ-OE1 3.14Å; K322-E474 IonicContact NZ-OE2 3.87Å; K322-E474 PolarHBondContact NZ-OE2 3.31Å
323	V	86.7	Confident	80.6	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-67.8	-43.8	-177.7	173.2	0	0	0	0	112	A319 D320 K325 Y326 F329 A337 V340 F342 L473 L481	A319-V323 PolarHBondContact O-N 3.15Å; D320-V323 PolarHBondContact O-N 3.01Å; V323-K325 PolarHBondContact O-N 2.56Å; V323-Y326 WeakPolarHBondContact O-CB 3.43Å; V323-Y326 PolarHBondContact O-N 2.89Å; V323-Y326 VanDerWaalsContact O-N 3.11Å; V323-F329 HydrophobicContact CG1-CD2 4.21Å; V323-F329 HydrophobicContact CG1-CE2 3.87Å; V323-A337 HydrophobicContact CB-CB 4.44Å; V323-A337 HydrophobicContact CG2-CB 3.81Å; V323-V340 HydrophobicContact CG1-CG2 3.85Å; V323-V340 HydrophobicContact CG2-CG2 3.95Å; V323-F342 HydrophobicContact CG2-CD2 4.38Å; V323-L473 HydrophobicContact CG2-CD1 3.6Å; V323-L481 HydrophobicContact CG2-CD1 3.92Å
324	T	84.7	Confident	79.5	Confident	89 Å²	89	72.7 Å²	72.7	55%	0.546	40%	0.397	S	S	.	.	H	α-helix	trans	-69	-17.6	178.8	52.2	0	0	0	0	114.4	D320 A321 P335	D320-T324 WeakPolarHBondContact O-CB 3.44Å; D320-T324 WeakPolarHBondContact O-CG2 3.38Å; D320-T324 PolarHBondContact O-N 2.88Å; D320-T324 PolarHBondContact O-OG1 3.35Å; A321-T324 WeakPolarHBondContact CA-OG1 3.04Å; T324-P335 WeakPolarHBondContact CG2-O 3.38Å
325	K	84.3	Confident	78.4	Confident	154 Å²	154	75 Å²	75	67%	0.67	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.9	172.4	-66.9	177.1	-172.6	176.5	0	113.5	A321 K322 V323	A321-K325 WeakPolarHBondContact O-CB 3.41Å; A321-K325 VanDerWaalsContact O-CD 3.3Å; A321-K325 WeakPolarHBondContact O-CD 3.33Å; A321-K325 WeakPolarHBondContact O-CG 3.14Å; K322-K325 PolarHBondContact O-N 3.28Å; V323-K325 PolarHBondContact O-N 2.56Å
326	Y	83.9	Confident	78.2	Confident	47 Å²	47	75.1 Å²	75.1	18%	0.184	41%	0.414	C	S	.	.			trans	-82	118.3	-174.2	-174.6	-92.3	0	0	0	111	K322 V323 G328 F329 V478 L481 N482 A485	K322-Y326 WeakPolarHBondContact O-CB 3.38Å; K322-Y326 PolarHBondContact O-N 2.9Å; V323-Y326 WeakPolarHBondContact O-CB 3.43Å; V323-Y326 PolarHBondContact O-N 2.89Å; V323-Y326 VanDerWaalsContact O-N 3.11Å; Y326-G328 VanDerWaalsContact C-N 3.31Å; Y326-G328 PolarHBondContact O-N 2.88Å; Y326-F329 AromaticContact CD1-CD2 3.78Å; Y326-F329 HydrophobicContact CD1-CD2 3.78Å; Y326-F329 AromaticContact CD1-CE2 3.92Å; Y326-F329 HydrophobicContact CD1-CE2 3.92Å; Y326-F329 HydrophobicContact CG-CD2 4.45Å; Y326-F329 HydrophobicContact CG-CE2 4.47Å; Y326-V478 HydrophobicContact CE2-CG1 4.17Å; Y326-L481 HydrophobicContact CD1-CG 4.38Å; Y326-L481 HydrophobicContact CD2-CD2 3.52Å; Y326-L481 HydrophobicContact CD2-CG 3.89Å; Y326-L481 HydrophobicContact CE2-CD2 4.14Å; Y326-L481 HydrophobicContact CE2-CG 4.18Å; Y326-L481 HydrophobicContact CG-CD2 3.85Å; Y326-L481 HydrophobicContact CG-CG 4Å; Y326-N482 WeakPolarHBondContact CE2-OD1 3.44Å; Y326-N482 VanDerWaalsContact CZ-OD1 3.31Å; Y326-N482 WeakPolarHBondContact OH-CA 3.49Å; Y326-N482 PolarHBondContact OH-OD1 2.92Å; Y326-A485 HydrophobicContact CD1-CB 4.01Å; Y326-A485 HydrophobicContact CE1-CB 3.48Å; Y326-A485 VanDerWaalsContact CE1-CB 3.48Å
327	P	79.2	Confident	78.2	Confident	123 Å²	123	70.4 Å²	70.4	80%	0.799	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12.9	-166.3	30	-36.9	0	0	0	115
328	G	76.1	Confident	78	Confident	37 Å²	37	66.9 Å²	66.9	38%	0.381	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.7	-177.6	0	0	0	0	0	115.2	Y326	Y326-G328 VanDerWaalsContact C-N 3.31Å; Y326-G328 PolarHBondContact O-N 2.88Å
329	F	74	Confident	77.7	Confident	31 Å²	31	63.6 Å²	63.6	14%	0.136	37%	0.372	C	S	.	.	S	Bend	trans	-81	133	173.5	-72	-67.3	0	0	0	111.2	V323 Y326 F333 V340 L481 V484 A485	V323-F329 HydrophobicContact CG1-CD2 4.21Å; V323-F329 HydrophobicContact CG1-CE2 3.87Å; Y326-F329 AromaticContact CD1-CD2 3.78Å; Y326-F329 HydrophobicContact CD1-CD2 3.78Å; Y326-F329 AromaticContact CD1-CE2 3.92Å; Y326-F329 HydrophobicContact CD1-CE2 3.92Å; Y326-F329 HydrophobicContact CG-CD2 4.45Å; Y326-F329 HydrophobicContact CG-CE2 4.47Å; F329-F333 HydrophobicContact CB-CB 4.24Å; F329-F333 HydrophobicContact CD1-CB 4.26Å; F329-F333 AromaticContact CD1-CD1 3.43Å; F329-F333 HydrophobicContact CD1-CD1 3.43Å; F329-F333 VanDerWaalsContact CD1-CD1 3.43Å; F329-F333 HydrophobicContact CD1-CE1 4.08Å; F329-F333 HydrophobicContact CD1-CG 4.07Å; F329-F333 AromaticContact CE1-CD1 3.73Å; F329-F333 HydrophobicContact CE1-CD1 3.73Å; F329-F333 AromaticContact CE1-CE1 3.99Å; F329-F333 HydrophobicContact CE1-CE1 3.99Å; F329-F333 HydrophobicContact CG-CD1 4.41Å; F329-V340 HydrophobicContact CE1-CB 4.48Å; F329-V340 HydrophobicContact CE1-CG1 3.79Å; F329-V340 HydrophobicContact CZ-CB 4.16Å; F329-V340 HydrophobicContact CZ-CG1 3.82Å; F329-V340 HydrophobicContact CZ-CG2 4.34Å; F329-L481 HydrophobicContact CE2-CD1 3.73Å; F329-L481 HydrophobicContact CZ-CD1 4.03Å; F329-V484 HydrophobicContact CE1-CG1 4.33Å; F329-V484 HydrophobicContact CZ-CG1 4.38Å; F329-A485 HydrophobicContact CD1-CB 3.97Å; F329-A485 HydrophobicContact CD2-CB 4.36Å; F329-A485 VanDerWaalsContact CE1-CA 3.46Å; F329-A485 HydrophobicContact CE1-CB 3.76Å; F329-A485 HydrophobicContact CE2-CB 4.15Å; F329-A485 HydrophobicContact CG-CB 4.26Å; F329-A485 HydrophobicContact CZ-CB 3.85Å
330	A	65.2	Low	77.4	Confident	45 Å²	45	63.6 Å²	63.6	37%	0.372	37%	0.372	S	S	.	.			trans	-60.6	145.9	171.8	0	0	0	0	0	110.9	Q332 F333	A330-Q332 PolarHBondContact O-N 2.86Å; A330-F333 WeakPolarHBondContact O-CB 3.42Å; A330-F333 PolarHBondContact O-N 3.03Å
331	P	63.1	Low	77.2	Confident	137 Å²	137	61.6 Å²	61.6	89%	0.89	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.6	-175	-28.2	36.1	0	0	0	116
332	Q	61.8	Low	77.2	Confident	156 Å²	156	60 Å²	60	73%	0.729	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	1.7	176	67	-86.8	19.8	0	0	115.1	A330	A330-Q332 PolarHBondContact O-N 2.86Å
333	F	62.8	Low	77.1	Confident	98 Å²	98	56.7 Å²	56.7	43%	0.43	33%	0.334	S	S	.	.	S	Bend	trans	-80.5	146.2	178	-131.1	-116.3	0	0	0	111.5	F329 A330 V340	F329-F333 HydrophobicContact CB-CB 4.24Å; F329-F333 HydrophobicContact CD1-CB 4.26Å; F329-F333 AromaticContact CD1-CD1 3.43Å; F329-F333 HydrophobicContact CD1-CD1 3.43Å; F329-F333 VanDerWaalsContact CD1-CD1 3.43Å; F329-F333 HydrophobicContact CD1-CE1 4.08Å; F329-F333 HydrophobicContact CD1-CG 4.07Å; F329-F333 AromaticContact CE1-CD1 3.73Å; F329-F333 HydrophobicContact CE1-CD1 3.73Å; F329-F333 AromaticContact CE1-CE1 3.99Å; F329-F333 HydrophobicContact CE1-CE1 3.99Å; F329-F333 HydrophobicContact CG-CD1 4.41Å; A330-F333 WeakPolarHBondContact O-CB 3.42Å; A330-F333 PolarHBondContact O-N 3.03Å; F333-V340 HydrophobicContact CD1-CG1 3.96Å; F333-V340 HydrophobicContact CE1-CG1 3.95Å
334	P	62.9	Low	77.1	Confident	57 Å²	57	56.7 Å²	56.7	37%	0.37	33%	0.333	S	S	.	.			trans	-68.7	140.8	-165.7	26.4	-36.4	0	0	0	113.8	S336 S339	P334-S336 VanDerWaalsContact C-N 3.27Å; P334-S336 PolarHBondContact O-N 2.93Å; P334-S339 WeakPolarHBondContact CB-OG 3.5Å; P334-S339 PolarHBondContact O-OG 3.44Å
335	P	63.9	Low	77.3	Confident	110 Å²	110	53.8 Å²	53.8	71%	0.714	32%	0.315	S	S	*	.	S	Bend	trans	-85.5	36.9	-158.6	36.8	-40.9	0	0	0	114.8	T324	T324-P335 WeakPolarHBondContact CG2-O 3.38Å
336	S	83.9	Confident	77.4	Confident	34 Å²	34	47.5 Å²	47.5	24%	0.238	29%	0.287	C	S	.	.	S	Bend	trans	-146.7	151.1	179.9	74.6	0	0	0	0	113.2	D320 P334 A338 S339	D320-S336 VanDerWaalsContact OD1-CA 3.31Å; D320-S336 WeakPolarHBondContact OD1-CA 3.19Å; D320-S336 WeakPolarHBondContact OD1-CB 3.38Å; P334-S336 VanDerWaalsContact C-N 3.27Å; P334-S336 PolarHBondContact O-N 2.93Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-A338 PolarHBondContact O-N 2.95Å; S336-S339 PolarHBondContact N-OG 2.67Å; S336-S339 PolarHBondContact O-N 2.84Å; S336-S339 VanDerWaalsContact O-N 3.13Å; S336-S339 PolarHBondContact O-OG 3.02Å; S336-S339 WeakPolarHBondContact OG-CB 3.47Å; S336-S339 PolarHBondContact OG-N 2.75Å; S336-S339 PolarHBondContact OG-OG 3.08Å
337	A	86.8	Confident	77.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.4	-38.2	172.9	0	0	0	0	0	112	A319 D320 V323 S339 V340 G341 F342 L473	A319-A337 HydrophobicContact CB-CB 3.66Å; D320-A337 WeakPolarHBondContact OD1-CB 3.47Å; D320-A337 PolarHBondContact OD1-N 2.83Å; V323-A337 HydrophobicContact CB-CB 4.44Å; V323-A337 HydrophobicContact CG2-CB 3.81Å; A337-S339 PolarHBondContact O-N 3.01Å; A337-V340 VanDerWaalsContact O-CG2 3.31Å; A337-V340 WeakPolarHBondContact O-CG2 3.42Å; A337-V340 PolarHBondContact O-N 2.75Å; A337-V340 VanDerWaalsContact O-N 3.09Å; A337-G341 PolarHBondContact O-N 3.18Å; A337-F342 CarbonylContact C-O 3.59Å; A337-F342 HydrophobicContact CB-CB 3.93Å; A337-F342 WeakPolarHBondContact CB-O 3.34Å; A337-F342 CarbonylContact O-C 3.55Å; A337-F342 WeakPolarHBondContact O-CA 3.43Å; A337-F342 PolarHBondContact O-N 3.26Å; A337-L473 HydrophobicContact CB-CD1 4.15Å
338	A	83.7	Confident	78.1	Confident	38 Å²	38	40.6 Å²	40.6	31%	0.314	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-61.1	-26.4	174.3	0	0	0	0	0	113.3	V251 S336	V251-A338 WeakPolarHBondContact CB-O 3.19Å; V251-A338 WeakPolarHBondContact CG1-O 3.41Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-A338 PolarHBondContact O-N 2.95Å
339	S	79.4	Confident	78.8	Confident	22 Å²	22	39.9 Å²	39.9	15%	0.154	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-87.5	-1.3	176.8	49.8	0	0	0	0	115	P334 S336 A337	P334-S339 WeakPolarHBondContact CB-OG 3.5Å; P334-S339 PolarHBondContact O-OG 3.44Å; S336-S339 PolarHBondContact N-OG 2.67Å; S336-S339 PolarHBondContact O-N 2.84Å; S336-S339 VanDerWaalsContact O-N 3.13Å; S336-S339 PolarHBondContact O-OG 3.02Å; S336-S339 WeakPolarHBondContact OG-CB 3.47Å; S336-S339 PolarHBondContact OG-N 2.75Å; S336-S339 PolarHBondContact OG-OG 3.08Å; A337-S339 PolarHBondContact O-N 3.01Å
340	V	82.2	Confident	79.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-121.6	17.1	175.4	-65.9	0	0	0	0	112.8	V323 F329 F333 A337 F342 V484	V323-V340 HydrophobicContact CG1-CG2 3.85Å; V323-V340 HydrophobicContact CG2-CG2 3.95Å; F329-V340 HydrophobicContact CE1-CB 4.48Å; F329-V340 HydrophobicContact CE1-CG1 3.79Å; F329-V340 HydrophobicContact CZ-CB 4.16Å; F329-V340 HydrophobicContact CZ-CG1 3.82Å; F329-V340 HydrophobicContact CZ-CG2 4.34Å; F333-V340 HydrophobicContact CD1-CG1 3.96Å; F333-V340 HydrophobicContact CE1-CG1 3.95Å; A337-V340 VanDerWaalsContact O-CG2 3.31Å; A337-V340 WeakPolarHBondContact O-CG2 3.42Å; A337-V340 PolarHBondContact O-N 2.75Å; A337-V340 VanDerWaalsContact O-N 3.09Å; V340-F342 HydrophobicContact CB-CD2 4.5Å; V340-F342 HydrophobicContact CG2-CD2 3.67Å; V340-F342 HydrophobicContact CG2-CE2 4.32Å; V340-V484 HydrophobicContact CB-CG1 4.02Å
341	G	83.1	Confident	81	Confident	1 Å²	1	41 Å²	41	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-14.8	176.1	0	0	0	0	0	114.6	A337 T343 P491	A337-G341 PolarHBondContact O-N 3.18Å; G341-T343 PolarHBondContact O-N 2.82Å; G341-P491 WeakPolarHBondContact CA-O 3.47Å
342	F	87.3	Confident	82.4	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.009	22%	0.218	C	C	.	.			trans	-81.5	54.1	178.8	-61	-60.7	0	0	0	112.5	V323 A337 V340 T344 P472 L473 L480 L481 V484 C494	V323-F342 HydrophobicContact CG2-CD2 4.38Å; A337-F342 CarbonylContact C-O 3.59Å; A337-F342 HydrophobicContact CB-CB 3.93Å; A337-F342 WeakPolarHBondContact CB-O 3.34Å; A337-F342 CarbonylContact O-C 3.55Å; A337-F342 WeakPolarHBondContact O-CA 3.43Å; A337-F342 PolarHBondContact O-N 3.26Å; V340-F342 HydrophobicContact CB-CD2 4.5Å; V340-F342 HydrophobicContact CG2-CD2 3.67Å; V340-F342 HydrophobicContact CG2-CE2 4.32Å; F342-T344 PolarHBondContact O-N 2.57Å; F342-P472 HydrophobicContact CB-CG 4.18Å; F342-P472 HydrophobicContact CD1-CB 4.04Å; F342-P472 HydrophobicContact CD1-CG 3.97Å; F342-L473 HydrophobicContact CB-CD1 3.61Å; F342-L473 HydrophobicContact CB-CG 3.73Å; F342-L473 HydrophobicContact CD1-CD1 4.36Å; F342-L473 HydrophobicContact CD1-CD2 3.78Å; F342-L473 HydrophobicContact CD1-CG 3.66Å; F342-L473 HydrophobicContact CD2-CD1 3.86Å; F342-L473 HydrophobicContact CD2-CD2 3.92Å; F342-L473 HydrophobicContact CD2-CG 3.98Å; F342-L473 HydrophobicContact CE1-CD2 3.88Å; F342-L473 HydrophobicContact CE1-CG 4.28Å; F342-L473 HydrophobicContact CE2-CD2 4.08Å; F342-L473 HydrophobicContact CG-CD1 3.68Å; F342-L473 HydrophobicContact CG-CD2 3.82Å; F342-L473 HydrophobicContact CG-CG 3.5Å; F342-L473 VanDerWaalsContact CG-CG 3.5Å; F342-L473 HydrophobicContact CZ-CD2 4.05Å; F342-L480 HydrophobicContact CE1-CB 4.38Å; F342-L480 HydrophobicContact CE1-CD2 3.98Å; F342-L480 HydrophobicContact CE1-CG 3.95Å; F342-L480 HydrophobicContact CZ-CB 4.32Å; F342-L480 HydrophobicContact CZ-CD2 4.47Å; F342-L480 HydrophobicContact CZ-CG 3.95Å; F342-L481 HydrophobicContact CD2-CD1 3.99Å; F342-L481 HydrophobicContact CE2-CB 4.14Å; F342-L481 HydrophobicContact CE2-CD1 3.5Å; F342-L481 HydrophobicContact CE2-CG 4.44Å; F342-L481 HydrophobicContact CZ-CB 4.17Å; F342-L481 HydrophobicContact CZ-CD1 4.36Å; F342-V484 HydrophobicContact CE2-CG2 4.36Å; F342-V484 HydrophobicContact CZ-CG2 4.28Å; F342-C494 WeakPolarHBondContact CE1-SG 3.45Å; F342-C494 WeakPolarHBondContact CZ-SG 3.42Å
343	T	84.4	Confident	83.8	Confident	1 Å²	1	31 Å²	31	1%	0.006	18%	0.184	C	C	.	.			trans	-58.2	129.8	171.6	-80.3	0	0	0	0	111	W252 G341 H470 P472	W252-T343 VanDerWaalsContact CD1-OG1 3.28Å; W252-T343 HydrophobicContact CZ2-CG2 3.54Å; W252-T343 PolarHBondContact NE1-OG1 2.86Å; G341-T343 PolarHBondContact O-N 2.82Å; T343-H470 PolarHBondContact O-CD2 3.21Å; T343-H470 PolarHBondContact O-NE2 3.3Å; T343-P472 WeakPolarHBondContact O-CD 3.23Å
344	T	87.6	Confident	84.9	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.037	19%	0.187	C	C	.	.			trans	-120	108.4	172	-64.3	0	0	0	0	109.8	L315 R316 F342 H470 A471	L315-T344 HydrophobicContact CB-CG2 3.59Å; R316-T344 HydrophobicContact CB-CG2 4.4Å; R316-T344 PolarHBondContact NE-O 2.99Å; R316-T344 VanDerWaalsContact NE-O 3.12Å; R316-T344 PolarHBondContact NH2-O 2.9Å; F342-T344 PolarHBondContact O-N 2.57Å; T344-H470 VanDerWaalsContact CA-O 3.25Å; T344-H470 WeakPolarHBondContact CA-O 3.39Å; T344-A471 HydrophobicContact CG2-CB 4.06Å
345	D	87	Confident	85.9	Confident	28 Å²	28	28.9 Å²	28.9	15%	0.15	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	171.8	177.5	-142.5	-35.7	0	0	0	112	R316 H470	R316-D345 IonicContact CZ-OD2 3.47Å; R316-D345 IonicContact NH2-OD1 3.2Å; R316-D345 IonicContact NH2-OD2 2.68Å; R316-D345 PolarHBondContact NH2-OD2 2.85Å; D345-H470 PolarHBondContact N-O 2.9Å; D345-H470 VanDerWaalsContact N-O 3.15Å; D345-H470 PolarHBondContact O-N 3.16Å
346	Y	86.5	Confident	86.7	Confident	23 Å²	23	26.8 Å²	26.8	9%	0.09	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.8	162.7	-80.5	-72.9	0	0	0	110.6	N302 I305 V312 C410 W468 L469	N302-Y346 PolarHBondContact N-O 3.2Å; I305-Y346 HydrophobicContact CB-CD2 4.29Å; I305-Y346 HydrophobicContact CB-CG 4.41Å; I305-Y346 HydrophobicContact CD1-CD1 4.38Å; I305-Y346 HydrophobicContact CD1-CG 4.17Å; I305-Y346 HydrophobicContact CG2-CD1 4.33Å; I305-Y346 HydrophobicContact CG2-CD2 3.56Å; I305-Y346 HydrophobicContact CG2-CE2 3.8Å; I305-Y346 HydrophobicContact CG2-CG 3.87Å; V312-Y346 HydrophobicContact CG2-CD2 3.5Å; V312-Y346 HydrophobicContact CG2-CE2 3.45Å; V312-Y346 VanDerWaalsContact CG2-CE2 3.45Å; Y346-C410 HydrophobicContact CE1-CB 4.02Å; Y346-W468 WeakPolarHBondContact CA-O 3.16Å; Y346-L469 HydrophobicContact CD1-CB 4.09Å; Y346-L469 HydrophobicContact CD1-CD1 4.47Å; Y346-L469 HydrophobicContact CD2-CD1 4.5Å; Y346-L469 HydrophobicContact CE1-CB 3.73Å; Y346-L469 HydrophobicContact CE1-CD1 4.4Å; Y346-L469 HydrophobicContact CE1-CG 4.49Å; Y346-L469 HydrophobicContact CE2-CD1 4.42Å
347	M	87.9	Confident	86.4	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.5	179.8	-54.7	-164.6	97.1	0	0	110.4	W252 P298 T467 W468 H470 L499	W252-M347 HydrophobicContact CH2-CE 3.52Å; W252-M347 HydrophobicContact CZ2-CE 3.79Å; W252-M347 HydrophobicContact CZ3-CE 4.35Å; P298-M347 HydrophobicContact CB-CB 4.13Å; P298-M347 HydrophobicContact CB-CE 3.98Å; P298-M347 HydrophobicContact CG-CE 3.35Å; P298-M347 HydrophobicContact CG-SD 4.01Å; M347-T467 VanDerWaalsContact O-CA 3.31Å; M347-T467 WeakPolarHBondContact O-CA 3.37Å; M347-W468 HydrophobicContact CB-CD2 4.37Å; M347-W468 HydrophobicContact CB-CH2 4.02Å; M347-W468 HydrophobicContact CB-CZ2 3.68Å; M347-W468 PolarHBondContact N-O 2.9Å; M347-W468 PolarHBondContact O-N 3.17Å; M347-W468 HydrophobicContact SD-CZ2 4.33Å; M347-H470 HydrophobicContact CG-CB 3.83Å; M347-H470 HydrophobicContact SD-CB 3.67Å; M347-H470 PolarHBondContact SD-CD2 3.34Å; M347-L499 HydrophobicContact CE-CD2 4.22Å; M347-L499 HydrophobicContact SD-CD2 3.53Å; M347-L499 VanDerWaalsContact SD-CD2 3.53Å
348	T	90.2	Very high	86	Confident	24 Å²	24	34.3 Å²	34.3	15%	0.147	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.5	174.9	-61.8	0	0	0	0	109.6	P298 N302 V350 E465 L466 T467	P298-T348 WeakPolarHBondContact CA-O 3.44Å; P298-T348 WeakPolarHBondContact CB-O 3.26Å; N302-T348 PolarHBondContact ND2-OG1 2.63Å; T348-V350 HydrophobicContact CG2-CG2 4.29Å; T348-E465 HydrophobicContact CG2-CG 4.04Å; T348-L466 CarbonylContact C-O 3.55Å; T348-L466 VanDerWaalsContact CA-O 3.28Å; T348-L466 WeakPolarHBondContact CA-O 3.26Å; T348-T467 PolarHBondContact OG1-OG1 3.21Å
349	Y	92.5	Very high	85.9	Confident	22 Å²	22	32.5 Å²	32.5	9%	0.086	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.5	174.3	174.3	-121.3	0	0	0	109.1	R291 T296 A297 F351 L466 V502	R291-Y349 PolarHBondContact NH2-OH 3.37Å; R291-Y349 VanDerWaalsContact NH2-OH 3.09Å; T296-Y349 HydrophobicContact CG2-CD1 3.56Å; T296-Y349 HydrophobicContact CG2-CE1 4.19Å; T296-Y349 HydrophobicContact CG2-CG 4.05Å; A297-Y349 HydrophobicContact CB-CE2 4.22Å; A297-Y349 VanDerWaalsContact O-CD2 3.28Å; A297-Y349 WeakPolarHBondContact O-CD2 3.23Å; Y349-F351 AromaticContact CD1-CD1 3.8Å; Y349-F351 HydrophobicContact CD1-CD1 3.8Å; Y349-F351 HydrophobicContact CD1-CE1 4.41Å; Y349-F351 HydrophobicContact CE1-CB 4.12Å; Y349-F351 AromaticContact CE1-CD1 3.44Å; Y349-F351 HydrophobicContact CE1-CD1 3.44Å; Y349-F351 VanDerWaalsContact CE1-CD1 3.44Å; Y349-F351 HydrophobicContact CE1-CE1 4.16Å; Y349-F351 HydrophobicContact CE1-CG 4.09Å; Y349-L466 HydrophobicContact CD1-CD1 4.4Å; Y349-L466 PolarHBondContact N-O 3.42Å; Y349-L466 PolarHBondContact O-N 3.44Å; Y349-V502 HydrophobicContact CD1-CG2 4.47Å; Y349-V502 HydrophobicContact CE1-CG2 4.26Å
350	V	92.3	Very high	86	Confident	85 Å²	85	32.6 Å²	32.6	52%	0.515	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134	175.6	-175.5	0	0	0	0	108.3	T348 I464 E465	T348-V350 HydrophobicContact CG2-CG2 4.29Å; V350-I464 WeakPolarHBondContact CA-O 3.29Å; V350-E465 HydrophobicContact CG2-CB 4.11Å; V350-E465 HydrophobicContact CG2-CG 4.04Å
351	F	92.5	Very high	85.9	Confident	14 Å²	14	38 Å²	38	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.5	172	67.8	-89.7	0	0	0	111	R291 Y349 L377 I464 L466 V502 V504	R291-F351 VanDerWaalsContact NH1-CD1 3.33Å; Y349-F351 AromaticContact CD1-CD1 3.8Å; Y349-F351 HydrophobicContact CD1-CD1 3.8Å; Y349-F351 HydrophobicContact CD1-CE1 4.41Å; Y349-F351 HydrophobicContact CE1-CB 4.12Å; Y349-F351 AromaticContact CE1-CD1 3.44Å; Y349-F351 HydrophobicContact CE1-CD1 3.44Å; Y349-F351 VanDerWaalsContact CE1-CD1 3.44Å; Y349-F351 HydrophobicContact CE1-CE1 4.16Å; Y349-F351 HydrophobicContact CE1-CG 4.09Å; F351-L377 HydrophobicContact CZ-CD1 4.5Å; F351-I464 HydrophobicContact CD1-CB 4.31Å; F351-I464 HydrophobicContact CD2-CB 4.36Å; F351-I464 HydrophobicContact CE1-CB 3.88Å; F351-I464 HydrophobicContact CE1-CG2 3.71Å; F351-I464 HydrophobicContact CE2-CB 3.94Å; F351-I464 HydrophobicContact CE2-CD1 3.81Å; F351-I464 HydrophobicContact CE2-CG1 4.23Å; F351-I464 HydrophobicContact CE2-CG2 4.42Å; F351-I464 HydrophobicContact CZ-CB 3.69Å; F351-I464 HydrophobicContact CZ-CD1 3.87Å; F351-I464 HydrophobicContact CZ-CG1 4.28Å; F351-I464 HydrophobicContact CZ-CG2 3.67Å; F351-I464 PolarHBondContact N-O 3.28Å; F351-I464 PolarHBondContact O-N 2.96Å; F351-L466 HydrophobicContact CE1-CD1 4.11Å; F351-L466 HydrophobicContact CE1-CG 4.21Å; F351-V502 HydrophobicContact CE1-CG1 3.97Å; F351-V502 HydrophobicContact CZ-CG1 3.92Å; F351-V504 HydrophobicContact CE2-CG2 4.07Å; F351-V504 HydrophobicContact CZ-CG2 3.99Å
352	T	91.4	Very high	85.8	Confident	81 Å²	81	39.1 Å²	39.1	50%	0.497	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.4	179.4	-54.3	0	0	0	0	109.9	V461 D463	T352-V461 HydrophobicContact CG2-CG1 3.25Å; T352-D463 WeakPolarHBondContact CB-OD1 3.29Å; T352-D463 WeakPolarHBondContact CG2-OD1 3.32Å; T352-D463 PolarHBondContact OG1-OD1 3.18Å
353	L	91	Very high	85.6	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.7	174.7	-174.9	73	0	0	0	108.7	L290 R291 L355 V375 V462 I464 V504	L290-L353 HydrophobicContact CB-CD1 4.05Å; R291-L353 HydrophobicContact CB-CD1 4.37Å; L353-L355 HydrophobicContact CD2-CD2 3.73Å; L353-L355 HydrophobicContact CD2-CG 4.32Å; L353-L355 HydrophobicContact CG-CD2 3.95Å; L353-L355 HydrophobicContact CG-CG 4.41Å; L353-V375 HydrophobicContact CD2-CG1 4.22Å; L353-V462 HydrophobicContact CB-CB 4.37Å; L353-V462 PolarHBondContact N-O 3.03Å; L353-V462 PolarHBondContact O-N 2.84Å; L353-I464 HydrophobicContact CB-CD1 4.41Å; L353-I464 HydrophobicContact CD2-CD1 4.27Å; L353-V504 HydrophobicContact CD1-CB 4.4Å; L353-V504 HydrophobicContact CD1-CG1 4.29Å; L353-V504 HydrophobicContact CD2-CG1 3.91Å
354	E	86.3	Confident	85.2	Confident	108 Å²	108	44.9 Å²	44.9	51%	0.505	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.2	175.1	-170.3	162.7	179.7	0	0	109.5	R147 V461	R147-E354 IonicContact CZ-OE2 3.76Å; R147-E354 IonicContact NE-OE2 3.97Å; R147-E354 VanDerWaalsContact NH2-CD 3.28Å; R147-E354 IonicContact NH2-OE1 3.01Å; R147-E354 PolarHBondContact NH2-OE1 3.01Å; R147-E354 IonicContact NH2-OE2 2.73Å; R147-E354 PolarHBondContact NH2-OE2 3.01Å; E354-V461 HydrophobicContact CG-CG2 4.34Å
355	L	85.4	Confident	84.2	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	23%	0.234	C	C	.	.			trans	-86.2	128.4	-177.8	-63	177.4	0	0	0	111.2	L290 L353 V359 V360 L363 V449 R460 V462	L290-L355 HydrophobicContact CD1-CD2 3.95Å; L353-L355 HydrophobicContact CD2-CD2 3.73Å; L353-L355 HydrophobicContact CD2-CG 4.32Å; L353-L355 HydrophobicContact CG-CD2 3.95Å; L353-L355 HydrophobicContact CG-CG 4.41Å; L355-V359 HydrophobicContact CD2-CG1 4.3Å; L355-V360 HydrophobicContact CB-CG2 3.99Å; L355-L363 HydrophobicContact CD1-CD1 4.47Å; L355-V449 HydrophobicContact CD1-CG1 3.52Å; L355-V449 HydrophobicContact CD1-CG2 4.45Å; L355-R460 PolarHBondContact N-O 3.11Å; L355-R460 WeakPolarHBondContact O-CB 3.22Å; L355-R460 WeakPolarHBondContact O-CD 3.43Å; L355-R460 WeakPolarHBondContact O-CG 3.39Å; L355-V462 HydrophobicContact CD1-CG2 4.16Å
356	E	80.3	Confident	82.9	Confident	67 Å²	67	55.5 Å²	55.5	31%	0.313	26%	0.264	S	S	.	.			trans	-62.4	156.7	177.2	-56.6	-152.9	137.2	0	0	113.1	Q358 V359 V360 S543 L544	E356-Q358 PolarHBondContact O-N 2.95Å; E356-Q358 VanDerWaalsContact O-N 3.09Å; E356-V359 HydrophobicContact CB-CG2 4.22Å; E356-V359 PolarHBondContact O-N 3.16Å; E356-V360 WeakPolarHBondContact O-CG2 3.38Å; E356-V360 PolarHBondContact O-N 2.95Å; E356-S543 VanDerWaalsContact OE2-CB 3.24Å; E356-S543 WeakPolarHBondContact OE2-CB 3.48Å; E356-S543 PolarHBondContact OE2-OG 3.45Å; E356-L544 HydrophobicContact CB-CD2 4.34Å; E356-L544 HydrophobicContact CG-CD2 4.18Å; E356-L544 WeakPolarHBondContact OE2-CD2 3.21Å
357	R	78	Confident	81.5	Confident	165 Å²	165	61.3 Å²	61.3	62%	0.623	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.7	172.3	-170.6	-179.6	-178.8	-170.5	0.3	112.1	K361	R357-K361 PolarHBondContact O-N 3.4Å
358	Q	77	Confident	80	Confident	27 Å²	27	65.3 Å²	65.3	13%	0.126	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-47.3	177.5	-70.1	-172.7	-4.3	0	0	112.7	E356 V360 K361 L362 E540 F541 S543 L544	E356-Q358 PolarHBondContact O-N 2.95Å; E356-Q358 VanDerWaalsContact O-N 3.09Å; Q358-V360 PolarHBondContact O-N 3.4Å; Q358-K361 WeakPolarHBondContact O-CA 3.31Å; Q358-K361 VanDerWaalsContact O-CB 3.31Å; Q358-K361 WeakPolarHBondContact O-CB 3.46Å; Q358-K361 PolarHBondContact O-N 3.09Å; Q358-L362 PolarHBondContact O-N 3.13Å; Q358-L362 VanDerWaalsContact O-N 3.12Å; Q358-E540 PolarHBondContact NE2-O 3.1Å; Q358-F541 HydrophobicContact CB-CD1 4.11Å; Q358-F541 HydrophobicContact CG-CD1 4.41Å; Q358-F541 PolarHBondContact OE1-O 3.2Å; Q358-S543 PolarHBondContact NE2-OG 3.48Å; Q358-S543 PolarHBondContact OE1-OG 2.89Å; Q358-S543 VanDerWaalsContact OE1-OG 3.12Å; Q358-L544 HydrophobicContact CB-CD1 3.79Å; Q358-L544 HydrophobicContact CB-CD2 4.48Å; Q358-L544 HydrophobicContact CB-CG 3.88Å
359	V	81	Confident	78.4	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-56.6	-43	171	-169.9	0	0	0	0	110.6	L290 L355 E356 K361 L362 L363 L506 L544	L290-V359 HydrophobicContact CD2-CG2 3.85Å; L355-V359 HydrophobicContact CD2-CG1 4.3Å; E356-V359 HydrophobicContact CB-CG2 4.22Å; E356-V359 PolarHBondContact O-N 3.16Å; V359-K361 PolarHBondContact O-N 3.22Å; V359-L362 PolarHBondContact O-N 2.74Å; V359-L362 VanDerWaalsContact O-N 3.08Å; V359-L363 HydrophobicContact CG1-CD1 3.74Å; V359-L363 HydrophobicContact CG1-CG 3.97Å; V359-L363 WeakPolarHBondContact O-CG 3.39Å; V359-L363 PolarHBondContact O-N 3.27Å; V359-L506 HydrophobicContact CG1-CD1 3.96Å; V359-L506 HydrophobicContact CG1-CD2 4.17Å; V359-L506 HydrophobicContact CG2-CD2 4.45Å; V359-L544 HydrophobicContact CG2-CD1 4.26Å; V359-L544 HydrophobicContact CG2-CD2 3.53Å
360	V	82.4	Confident	76.9	Confident	23 Å²	23	76.1 Å²	76.1	14%	0.139	40%	0.396	C	S	.	.	H	α-helix	trans	-68.8	-9.2	176.8	174.8	0	0	0	0	113	L355 E356 Q358 R364 L451	L355-V360 HydrophobicContact CB-CG2 3.99Å; E356-V360 WeakPolarHBondContact O-CG2 3.38Å; E356-V360 PolarHBondContact O-N 2.95Å; Q358-V360 PolarHBondContact O-N 3.4Å; V360-R364 VanDerWaalsContact O-CZ 3.27Å; V360-R364 PolarHBondContact O-NE 2.94Å; V360-R364 PolarHBondContact O-NH2 2.85Å; V360-L451 HydrophobicContact CG1-CD2 4.18Å; V360-L451 HydrophobicContact CG2-CD2 4.19Å
361	K	80.3	Confident	75.5	Confident	116 Å²	116	73 Å²	73	50%	0.504	38%	0.378	S	S	.	.	H	α-helix	trans	-82.4	-53.3	161	-70.1	179	177	-176.6	0	110.7	R357 Q358 V359 L363 R364	R357-K361 PolarHBondContact O-N 3.4Å; Q358-K361 WeakPolarHBondContact O-CA 3.31Å; Q358-K361 VanDerWaalsContact O-CB 3.31Å; Q358-K361 WeakPolarHBondContact O-CB 3.46Å; Q358-K361 PolarHBondContact O-N 3.09Å; V359-K361 PolarHBondContact O-N 3.22Å; K361-L363 PolarHBondContact O-N 3.2Å; K361-R364 PolarHBondContact O-N 3.42Å; K361-R364 VanDerWaalsContact O-N 3.12Å
362	L	80.7	Confident	75	Confident	24 Å²	24	76.5 Å²	76.5	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-59.3	-40.3	-174.1	-68.6	172.3	0	0	0	113.5	Q358 V359 R364 S371 W373 L506 L536 F541 L544	Q358-L362 PolarHBondContact O-N 3.13Å; Q358-L362 VanDerWaalsContact O-N 3.12Å; V359-L362 PolarHBondContact O-N 2.74Å; V359-L362 VanDerWaalsContact O-N 3.08Å; L362-R364 PolarHBondContact O-N 2.9Å; L362-S371 PolarHBondContact O-OG 2.94Å; L362-W373 HydrophobicContact CB-CB 4.35Å; L362-W373 HydrophobicContact CB-CD2 4.43Å; L362-W373 HydrophobicContact CB-CG 3.97Å; L362-W373 HydrophobicContact CD1-CD2 4.5Å; L362-L506 HydrophobicContact CD1-CD2 3.86Å; L362-L536 HydrophobicContact CD1-CD2 4.02Å; L362-F541 HydrophobicContact CD1-CD1 4.25Å; L362-F541 HydrophobicContact CD1-CE1 3.98Å; L362-F541 HydrophobicContact CD2-CE1 3.7Å; L362-F541 HydrophobicContact CD2-CE2 4.3Å; L362-F541 HydrophobicContact CD2-CZ 3.52Å; L362-F541 HydrophobicContact CG-CD1 4.48Å; L362-F541 HydrophobicContact CG-CE1 3.73Å; L362-F541 HydrophobicContact CG-CZ 4.1Å; L362-L544 HydrophobicContact CD1-CD1 3.86Å
363	L	83	Confident	74.8	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.037	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.1	179.4	-60.9	174.8	0	0	0	114.3	L355 V359 K361 W373 V375 T446 L451 L506	L355-L363 HydrophobicContact CD1-CD1 4.47Å; V359-L363 HydrophobicContact CG1-CD1 3.74Å; V359-L363 HydrophobicContact CG1-CG 3.97Å; V359-L363 WeakPolarHBondContact O-CG 3.39Å; V359-L363 PolarHBondContact O-N 3.27Å; K361-L363 PolarHBondContact O-N 3.2Å; L363-W373 HydrophobicContact CD2-CB 3.99Å; L363-V375 HydrophobicContact CD1-CG2 3.41Å; L363-V375 VanDerWaalsContact CD1-CG2 3.41Å; L363-V375 HydrophobicContact CD2-CG2 3.86Å; L363-V375 HydrophobicContact CG-CG2 4.27Å; L363-T446 HydrophobicContact CD2-CG2 4.12Å; L363-L451 HydrophobicContact CB-CD1 3.58Å; L363-L451 HydrophobicContact CD1-CD1 4.36Å; L363-L506 HydrophobicContact CD2-CD1 3.79Å; L363-L506 HydrophobicContact CG-CD1 4.45Å
364	R	76	Confident	74.6	Confident	116 Å²	116	75.5 Å²	75.5	44%	0.438	38%	0.382	S	S	.	.	S	Bend	trans	-84.2	127.3	174.9	-90.6	178.9	-76.3	153.4	0.1	109.6	V360 K361 L362 K366	V360-R364 VanDerWaalsContact O-CZ 3.27Å; V360-R364 PolarHBondContact O-NE 2.94Å; V360-R364 PolarHBondContact O-NH2 2.85Å; K361-R364 PolarHBondContact O-N 3.42Å; K361-R364 VanDerWaalsContact O-N 3.12Å; L362-R364 PolarHBondContact O-N 2.9Å; R364-K366 PolarHBondContact O-N 3.02Å
365	P	66.8	Low	74.9	Confident	82 Å²	82	70.4 Å²	70.4	53%	0.532	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62	129.9	176.2	26.3	-33.9	0	0	0	110.2	D369	P365-D369 WeakPolarHBondContact CB-O 3.18Å
366	K	60.7	Low	75.1	Confident	176 Å²	176	70.3 Å²	70.3	77%	0.765	36%	0.357	S	S	*	.	S	Bend	trans	-84.1	121.6	165.8	-64.5	179.3	-179	178.4	0	106.6	R364	R364-K366 PolarHBondContact O-N 3.02Å
367	T	56.5	Low	75.8	Confident	144 Å²	144	67.1 Å²	67.1	88%	0.883	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	69.4	169	49.8	0	0	0	0	116.3	D369	T367-D369 PolarHBondContact O-N 3.18Å
368	G	55.3	Low	76.4	Confident	85 Å²	85	59.2 Å²	59.2	88%	0.876	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-33.6	164.1	0	0	0	0	0	116.4
369	D	56.8	Low	77.1	Confident	118 Å²	118	58 Å²	58	63%	0.631	31%	0.307	S	S	*	.	S	Bend	trans	-70.4	156.8	177.6	-160.9	3	0	0	0	112.1	P365 T367 S371	P365-D369 WeakPolarHBondContact CB-O 3.18Å; T367-D369 PolarHBondContact O-N 3.18Å; D369-S371 PolarHBondContact O-N 2.88Å
370	H	60.9	Low	77.6	Confident	155 Å²	155	58 Å²	58	72%	0.718	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-64.9	133.2	167.2	-66.6	-71.8	0	0	0	108.9	E372	H370-E372 PolarHBondContact O-N 2.83Å
371	S	62.9	Low	77.9	Confident	18 Å²	18	57 Å²	57	13%	0.126	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-55.5	143.3	169.6	176.9	0	0	0	0	109.4	L362 D369 W373 R374	L362-S371 PolarHBondContact O-OG 2.94Å; D369-S371 PolarHBondContact O-N 2.88Å; S371-W373 PolarHBondContact O-N 2.81Å; S371-W373 PolarHBondContact OG-N 3.16Å; S371-W373 VanDerWaalsContact OG-N 3.08Å; S371-R374 VanDerWaalsContact O-CZ 3.24Å; S371-R374 PolarHBondContact O-NH1 3.36Å; S371-R374 PolarHBondContact O-NH2 3.13Å
372	E	82.1	Confident	78.4	Confident	88 Å²	88	51.5 Å²	51.5	41%	0.411	28%	0.276	S	S	.	.	S	Bend	trans	-65.6	-18.3	169.3	-59.5	-178	161.5	0	0	112	H370 R508 A509	H370-E372 PolarHBondContact O-N 2.83Å; E372-R508 HydrophobicContact CB-CG 4.23Å; E372-R508 IonicContact OE1-CZ 3.81Å; E372-R508 IonicContact OE1-NE 2.67Å; E372-R508 IonicContact OE1-NH2 3.74Å; E372-R508 PolarHBondContact OE1-NH2 2.7Å; E372-R508 IonicContact OE2-CZ 2.69Å; E372-R508 IonicContact OE2-NE 3.79Å; E372-R508 PolarHBondContact OE2-NE 2.6Å; E372-R508 IonicContact OE2-NH2 2.67Å; E372-R508 PolarHBondContact OE2-NH2 3.05Å; E372-A509 WeakPolarHBondContact O-CB 3.49Å; E372-A509 PolarHBondContact O-N 3.03Å
373	W	86.9	Confident	78.7	Confident	23 Å²	23	51.9 Å²	51.9	9%	0.087	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	-167.7	-62.4	94.1	0	0	0	112.9	V287 L362 L363 S371 L506 D507 R508 L536	V287-W373 HydrophobicContact CB-CH2 4.44Å; V287-W373 HydrophobicContact CB-CZ3 3.97Å; V287-W373 HydrophobicContact CG1-CH2 4.43Å; V287-W373 HydrophobicContact CG1-CZ3 4.39Å; V287-W373 HydrophobicContact CG2-CH2 4.07Å; V287-W373 HydrophobicContact CG2-CZ3 3.71Å; L362-W373 HydrophobicContact CB-CB 4.35Å; L362-W373 HydrophobicContact CB-CD2 4.43Å; L362-W373 HydrophobicContact CB-CG 3.97Å; L362-W373 HydrophobicContact CD1-CD2 4.5Å; L363-W373 HydrophobicContact CD2-CB 3.99Å; S371-W373 PolarHBondContact O-N 2.81Å; S371-W373 PolarHBondContact OG-N 3.16Å; S371-W373 VanDerWaalsContact OG-N 3.08Å; W373-L506 HydrophobicContact CB-CD1 4.15Å; W373-L506 HydrophobicContact CE3-CD1 4.13Å; W373-L506 HydrophobicContact CE3-CD2 4.12Å; W373-L506 HydrophobicContact CE3-CG 3.79Å; W373-L506 HydrophobicContact CZ3-CD2 4.39Å; W373-L506 HydrophobicContact CZ3-CG 4.26Å; W373-D507 CarbonylContact C-O 3.59Å; W373-D507 WeakPolarHBondContact CA-O 3.31Å; W373-R508 HydrophobicContact CZ3-CB 4.29Å; W373-L536 HydrophobicContact CH2-CD2 3.73Å; W373-L536 HydrophobicContact CH2-CG 4.3Å; W373-L536 HydrophobicContact CZ2-CD2 3.84Å
374	R	88	Confident	78.9	Confident	41 Å²	41	54 Å²	54	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.3	-179.6	-62.1	-73.2	168.9	-78.9	-11.7	111	L284 S371 V376 D444 T446 L506 D507 A509	L284-R374 HydrophobicContact CD2-CB 4.27Å; L284-R374 HydrophobicContact CD2-CG 3.91Å; S371-R374 VanDerWaalsContact O-CZ 3.24Å; S371-R374 PolarHBondContact O-NH1 3.36Å; S371-R374 PolarHBondContact O-NH2 3.13Å; R374-V376 HydrophobicContact CB-CG2 3.71Å; R374-D444 IonicContact NE-OD2 3.2Å; R374-T446 VanDerWaalsContact CA-OG1 3.31Å; R374-T446 WeakPolarHBondContact CA-OG1 3.23Å; R374-L506 WeakPolarHBondContact O-CA 3.42Å; R374-D507 HydrophobicContact CB-CB 4.49Å; R374-D507 PolarHBondContact N-O 2.94Å; R374-D507 PolarHBondContact O-N 3.39Å; R374-A509 HydrophobicContact CG-CB 4.04Å
375	V	91.2	Very high	79.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.9	161.9	-175.4	0	0	0	0	107.1	L290 L353 L363 I445 T446 V449 V504	L290-V375 HydrophobicContact CD1-CG1 4.05Å; L290-V375 HydrophobicContact CD1-CG2 4.46Å; L353-V375 HydrophobicContact CD2-CG1 4.22Å; L363-V375 HydrophobicContact CD1-CG2 3.41Å; L363-V375 VanDerWaalsContact CD1-CG2 3.41Å; L363-V375 HydrophobicContact CD2-CG2 3.86Å; L363-V375 HydrophobicContact CG-CG2 4.27Å; V375-I445 HydrophobicContact CB-CG1 4.09Å; V375-I445 HydrophobicContact CG1-CD1 3.9Å; V375-I445 HydrophobicContact CG1-CG1 3.79Å; V375-I445 VanDerWaalsContact O-CG1 3.25Å; V375-I445 WeakPolarHBondContact O-CG1 3.44Å; V375-I445 PolarHBondContact O-N 2.98Å; V375-T446 PolarHBondContact N-OG1 2.94Å; V375-V449 HydrophobicContact CB-CG2 4.43Å; V375-V449 HydrophobicContact CG2-CG2 4.34Å; V375-V504 HydrophobicContact CG1-CG1 3.8Å
376	V	91	Very high	80.5	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.5	-174.4	-172.4	0	0	0	0	109.9	L284 R374 R378 I443 V504 T505 D507	L284-V376 HydrophobicContact CD1-CG1 4.45Å; L284-V376 HydrophobicContact CD1-CG2 4.24Å; L284-V376 HydrophobicContact CD2-CG2 4.34Å; R374-V376 HydrophobicContact CB-CG2 3.71Å; V376-R378 HydrophobicContact CG1-CG 3.97Å; V376-I443 WeakPolarHBondContact CA-O 3.48Å; V376-V504 WeakPolarHBondContact O-CA 3.42Å; V376-T505 PolarHBondContact N-O 2.84Å; V376-T505 PolarHBondContact O-N 3.28Å; V376-D507 HydrophobicContact CG2-CB 3.72Å; V376-D507 VanDerWaalsContact CG2-CG 3.46Å; V376-D507 WeakPolarHBondContact CG2-OD2 3.25Å
377	L	93.4	Very high	81.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.8	171.6	168.6	64.3	0	0	0	109.1	F351 L379 I413 I443 I445 I464 L466 V502 V504	F351-L377 HydrophobicContact CZ-CD1 4.5Å; L377-L379 HydrophobicContact CD1-CD2 4.4Å; L377-I413 HydrophobicContact CD2-CD1 3.89Å; L377-I413 HydrophobicContact CD2-CG2 4.09Å; L377-I443 HydrophobicContact CB-CB 4.3Å; L377-I443 PolarHBondContact N-O 3.08Å; L377-I443 WeakPolarHBondContact O-CB 3.4Å; L377-I443 PolarHBondContact O-N 3.32Å; L377-I445 HydrophobicContact CB-CD1 4.31Å; L377-I445 HydrophobicContact CB-CG2 4.19Å; L377-I464 HydrophobicContact CD2-CG2 4.42Å; L377-L466 HydrophobicContact CD2-CD2 3.81Å; L377-V502 HydrophobicContact CD1-CG1 3.9Å; L377-V504 HydrophobicContact CD1-CG2 3.86Å
378	R	91.6	Very high	83	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.9	-174.8	-61.9	168.3	174	-75.7	3.5	109.1	I277 L284 V376 E405 S442 Q503 D507 Y563	I277-R378 HydrophobicContact CB-CB 4.29Å; I277-R378 HydrophobicContact CD1-CB 4.48Å; I277-R378 WeakPolarHBondContact CD1-O 3.2Å; I277-R378 HydrophobicContact CG2-CB 4.14Å; L284-R378 PolarHBondContact O-NH2 3.33Å; V376-R378 HydrophobicContact CG1-CG 3.97Å; R378-E405 IonicContact NH1-OE2 2.94Å; R378-E405 PolarHBondContact NH1-OE2 3.37Å; R378-S442 PolarHBondContact NH1-OG 3.07Å; R378-Q503 HydrophobicContact CB-CB 4.21Å; R378-Q503 PolarHBondContact N-O 3.03Å; R378-Q503 PolarHBondContact O-N 3.37Å; R378-D507 IonicContact CZ-OD2 2.76Å; R378-D507 IonicContact NE-OD2 2.81Å; R378-D507 PolarHBondContact NE-OD2 2.68Å; R378-D507 IonicContact NH2-OD2 3.91Å; R378-D507 PolarHBondContact NH2-OD2 2.78Å; R378-Y563 PolarHBondContact NH1-OH 3.12Å; R378-Y563 PolarHBondContact NH2-OH 2.94Å; R378-Y563 VanDerWaalsContact NH2-OH 3.07Å
379	L	92.7	Very high	83.8	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.7	-179.9	-61	178.5	0	0	0	110.3	L377 E405 A406 L407 P408 L411 L466 L501 V502	L377-L379 HydrophobicContact CD1-CD2 4.4Å; L379-E405 CarbonylContact O-C 3.45Å; L379-E405 VanDerWaalsContact O-CA 3.27Å; L379-E405 WeakPolarHBondContact O-CA 3.42Å; L379-A406 CarbonylContact C-O 3.42Å; L379-A406 PolarHBondContact O-N 3.01Å; L379-L407 HydrophobicContact CB-CD2 4.46Å; L379-L407 HydrophobicContact CD1-CD2 4.4Å; L379-P408 HydrophobicContact CD1-CG 4.19Å; L379-L411 HydrophobicContact CD1-CD1 3.91Å; L379-L411 HydrophobicContact CD1-CD2 3.61Å; L379-L411 HydrophobicContact CD1-CG 4.44Å; L379-L466 HydrophobicContact CD2-CD1 3.96Å; L379-L501 WeakPolarHBondContact CA-O 3.4Å; L379-V502 HydrophobicContact CD2-CB 4.32Å; L379-V502 HydrophobicContact CD2-CG1 4.29Å; L379-V502 HydrophobicContact CD2-CG2 3.86Å
380	G	90.3	Very high	84.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	-177.5	-179.3	0	0	0	0	0	111.9	L501	G380-L501 PolarHBondContact N-O 3.46Å; G380-L501 PolarHBondContact O-N 3.41Å
381	W	89.9	Confident	83.8	Confident	3 Å²	3	23.1 Å²	23.1	1%	0.011	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.9	-171.4	-56	96.2	0	0	0	112.2	T383 T384 V403 P408 G498 P500	W381-T383 PolarHBondContact O-N 2.96Å; W381-T383 VanDerWaalsContact O-N 3.13Å; W381-T384 PolarHBondContact O-N 2.71Å; W381-T384 VanDerWaalsContact O-N 3.17Å; W381-T384 PolarHBondContact O-OG1 2.97Å; W381-V403 WeakPolarHBondContact O-CG1 3.48Å; W381-P408 HydrophobicContact CH2-CB 4.2Å; W381-P408 HydrophobicContact CH2-CG 4.15Å; W381-P408 HydrophobicContact CZ2-CB 3.95Å; W381-P408 HydrophobicContact CZ2-CG 3.84Å; W381-G498 VanDerWaalsContact CZ3-O 3.27Å; W381-G498 WeakPolarHBondContact CZ3-O 3.49Å; W381-P500 HydrophobicContact CE3-CG 4.5Å; W381-P500 HydrophobicContact CH2-CG 3.85Å; W381-P500 HydrophobicContact CZ3-CB 4.41Å; W381-P500 HydrophobicContact CZ3-CG 3.8Å
382	A	90.1	Very high	83.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-1.8	175.7	0	0	0	0	0	114.4	F233 F295 F386 I497 L501	F233-A382 HydrophobicContact CD1-CB 4.31Å; F233-A382 HydrophobicContact CE1-CB 3.86Å; F295-A382 HydrophobicContact CE1-CB 3.51Å; F295-A382 HydrophobicContact CZ-CB 3.42Å; F295-A382 VanDerWaalsContact CZ-CB 3.42Å; A382-F386 HydrophobicContact CB-CZ 3.77Å; A382-F386 WeakPolarHBondContact O-CE2 3.49Å; A382-I497 HydrophobicContact CB-CG2 4.05Å; A382-L501 HydrophobicContact CB-CD1 4.13Å; A382-L501 HydrophobicContact CB-CG 4.5Å
383	T	87.5	Confident	81.4	Confident	32 Å²	32	27.4 Å²	27.4	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.7	173.1	62.6	0	0	0	0	113.4	W381 Q476 L480 I497	W381-T383 PolarHBondContact O-N 2.96Å; W381-T383 VanDerWaalsContact O-N 3.13Å; T383-Q476 HydrophobicContact CG2-CG 4.44Å; T383-Q476 PolarHBondContact OG1-NE2 3.01Å; T383-Q476 VanDerWaalsContact OG1-NE2 3.08Å; T383-L480 HydrophobicContact CG2-CD2 4.24Å; T383-I497 HydrophobicContact CG2-CG2 3.82Å
384	T	85.4	Confident	79.1	Confident	52 Å²	52	32 Å²	32	32%	0.319	19%	0.193	S	C	.	.	S	Bend	trans	-94.4	152.4	161.8	55.4	0	0	0	0	109.2	W381	W381-T384 PolarHBondContact O-N 2.71Å; W381-T384 VanDerWaalsContact O-N 3.17Å; W381-T384 PolarHBondContact O-OG1 2.97Å
385	D	87.5	Confident	76.9	Confident	71 Å²	71	36.6 Å²	36.6	38%	0.38	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-60.5	145.1	178	-58.3	-47.1	0	0	0	111.7	K227 G229 A230	K227-D385 HydrophobicContact CD-CB 4.36Å; K227-D385 WeakPolarHBondContact CE-OD2 3.05Å; K227-D385 HydrophobicContact CG-CB 4.14Å; K227-D385 IonicContact NZ-OD2 3.1Å; K227-D385 PolarHBondContact NZ-OD2 2.99Å; G229-D385 WeakPolarHBondContact CA-OD1 3.42Å; A230-D385 PolarHBondContact N-OD1 2.8Å
386	F	89.4	Confident	74.9	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.4	-178.2	-60.9	-105.8	0	0	0	110.4	K227 L228 F233 L275 A382 A401 L402 V403	K227-F386 WeakPolarHBondContact CA-O 3.46Å; L228-F386 HydrophobicContact CB-CB 4.1Å; L228-F386 HydrophobicContact CD2-CB 4.26Å; L228-F386 HydrophobicContact CD2-CD2 4.42Å; L228-F386 HydrophobicContact CD2-CG 4.43Å; L228-F386 HydrophobicContact CG-CB 4.41Å; L228-F386 PolarHBondContact N-O 3.2Å; L228-F386 PolarHBondContact O-N 2.87Å; F233-F386 HydrophobicContact CB-CD2 4.19Å; F233-F386 HydrophobicContact CB-CE2 3.58Å; F233-F386 HydrophobicContact CB-CZ 4.27Å; F233-F386 AromaticContact CD1-CE2 3.74Å; F233-F386 HydrophobicContact CD1-CE2 3.74Å; F233-F386 AromaticContact CD1-CZ 3.73Å; F233-F386 HydrophobicContact CD1-CZ 3.73Å; F233-F386 HydrophobicContact CD2-CE2 4.17Å; F233-F386 HydrophobicContact CD2-CZ 4.03Å; F233-F386 HydrophobicContact CE1-CZ 4.06Å; F233-F386 HydrophobicContact CE2-CZ 4.33Å; F233-F386 HydrophobicContact CG-CD2 4.48Å; F233-F386 AromaticContact CG-CE2 3.54Å; F233-F386 HydrophobicContact CG-CE2 3.54Å; F233-F386 AromaticContact CG-CZ 3.71Å; F233-F386 HydrophobicContact CG-CZ 3.71Å; F233-F386 HydrophobicContact CZ-CZ 4.35Å; L275-F386 HydrophobicContact CD2-CE1 3.93Å; A382-F386 HydrophobicContact CB-CZ 3.77Å; A382-F386 WeakPolarHBondContact O-CE2 3.49Å; F386-A401 HydrophobicContact CB-CB 4Å; F386-A401 HydrophobicContact CD1-CB 3.61Å; F386-A401 HydrophobicContact CE1-CB 4.28Å; F386-A401 HydrophobicContact CG-CB 4Å; F386-L402 WeakPolarHBondContact CA-O 3.39Å; F386-V403 HydrophobicContact CD1-CG1 3.36Å; F386-V403 HydrophobicContact CE1-CG1 3.29Å; F386-V403 HydrophobicContact CG-CG1 4.1Å; F386-V403 HydrophobicContact CZ-CG1 3.96Å
387	Y	85.4	Confident	73	Confident	21 Å²	21	44.4 Å²	44.4	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.9	161.8	163.9	-124.5	0	0	0	110.2	T225 P389 L402 G561 N565	T225-Y387 HydrophobicContact CG2-CE2 3.82Å; Y387-P389 HydrophobicContact CD1-CG 4.48Å; Y387-P389 HydrophobicContact CE1-CB 4.39Å; Y387-P389 HydrophobicContact CE1-CG 3.78Å; Y387-L402 HydrophobicContact CD1-CB 4.04Å; Y387-L402 HydrophobicContact CD1-CD1 3.58Å; Y387-L402 HydrophobicContact CD1-CG 4.42Å; Y387-L402 HydrophobicContact CE1-CD1 3.78Å; Y387-L402 PolarHBondContact N-O 3.43Å; Y387-L402 PolarHBondContact O-N 2.72Å; Y387-G561 WeakPolarHBondContact CE1-O 3.32Å; Y387-N565 HydrophobicContact CD1-CB 4.36Å; Y387-N565 WeakPolarHBondContact CD1-ND2 3.34Å; Y387-N565 WeakPolarHBondContact CD2-ND2 3.36Å; Y387-N565 HydrophobicContact CE1-CB 3.95Å; Y387-N565 VanDerWaalsContact CE1-CG 3.44Å; Y387-N565 WeakPolarHBondContact CE1-ND2 3.35Å; Y387-N565 WeakPolarHBondContact CE2-ND2 3.35Å; Y387-N565 WeakPolarHBondContact CE2-OD1 3.31Å; Y387-N565 PolarHBondContact OH-OD1 2.85Å
388	V	84	Confident	71.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.6	172	-176.1	0	0	0	0	108.4	F210 L215 Q226 L228	F210-V388 HydrophobicContact CD1-CG1 3.91Å; F210-V388 HydrophobicContact CD1-CG2 4.17Å; F210-V388 HydrophobicContact CE1-CG1 3.84Å; F210-V388 HydrophobicContact CE1-CG2 3.83Å; L215-V388 HydrophobicContact CD2-CB 4.36Å; L215-V388 HydrophobicContact CD2-CG2 3.87Å; Q226-V388 HydrophobicContact CB-CB 4.19Å; Q226-V388 PolarHBondContact N-O 3.13Å; Q226-V388 PolarHBondContact O-N 3.26Å; L228-V388 HydrophobicContact CB-CG2 3.67Å; L228-V388 HydrophobicContact CD2-CG2 4.48Å
389	P	72.1	Confident	70.6	Confident	15 Å²	15	52.3 Å²	52.3	10%	0.097	32%	0.318	C	S	.	.			trans	-64	134.7	173.4	-16.4	27.6	0	0	0	111.3	Y387 N391 R400 L402	Y387-P389 HydrophobicContact CD1-CG 4.48Å; Y387-P389 HydrophobicContact CE1-CB 4.39Å; Y387-P389 HydrophobicContact CE1-CG 3.78Å; P389-N391 PolarHBondContact O-N 3.26Å; P389-R400 WeakPolarHBondContact CD-O 3.44Å; P389-L402 HydrophobicContact CG-CD1 3.76Å
390	S	63.1	Low	70	Confident	47 Å²	47	53.2 Å²	53.2	33%	0.329	32%	0.321	S	S	.	.			trans	-80.2	106.3	169.4	-88.1	0	0	0	0	109.9	R224 V392	R224-S390 WeakPolarHBondContact O-CB 3.2Å; R224-S390 PolarHBondContact O-OG 3.45Å; S390-V392 PolarHBondContact O-N 3.17Å
391	N	56.1	Low	69.9	Low	72 Å²	72	53.2 Å²	53.2	39%	0.385	32%	0.321	S	S	.	.			trans	-34.6	123.9	-175	-105.2	10.7	0	0	0	115.4	P389 A396	P389-N391 PolarHBondContact O-N 3.26Å; N391-A396 PolarHBondContact ND2-O 3.48Å
392	V	48.9	Very low	69.8	Low	120 Å²	120	53.1 Å²	53.1	73%	0.727	32%	0.321	S	S	*	.	S	Bend	trans	-78.4	119.5	160.3	-179.1	0	0	0	0	108.3	S390	S390-V392 PolarHBondContact O-N 3.17Å
393	S	43.9	Very low	69.8	Low	77 Å²	77	53.1 Å²	53.1	54%	0.538	32%	0.321	S	S	.	.	S	Bend	trans	68.7	148.1	-171.4	85.4	0	0	0	0	116.2	N395	S393-N395 PolarHBondContact O-N 3.29Å
394	S	39.9	Very low	69.6	Low	118 Å²	118	52.7 Å²	52.7	83%	0.825	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.9	179	44.5	0	0	0	0	114.8
395	N	42.1	Very low	69.6	Low	139 Å²	139	50.2 Å²	50.2	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	1.9	-171.5	-68.1	-12.7	0	0	0	114.2	S393 S397	S393-N395 PolarHBondContact O-N 3.29Å; N395-S397 PolarHBondContact O-N 3.45Å
396	A	49.2	Very low	69.5	Low	41 Å²	41	47.4 Å²	47.4	34%	0.339	29%	0.289	S	S	.	.			trans	-86.7	101.9	179.1	0	0	0	0	0	111.7	N391 S398	N391-A396 PolarHBondContact ND2-O 3.48Å; A396-S398 VanDerWaalsContact C-N 3.3Å; A396-S398 PolarHBondContact O-N 3.3Å
397	S	50.6	Low	69.4	Low	123 Å²	123	48 Å²	48	86%	0.86	29%	0.292	S	S	*	.			trans	-78.7	10.5	-169.3	-58.4	0	0	0	0	116.8	N395	N395-S397 PolarHBondContact O-N 3.45Å
398	S	61.3	Low	69.3	Low	64 Å²	64	47.2 Å²	47.2	45%	0.448	29%	0.289	S	S	.	.			trans	-139.4	114.2	-179.6	-165.3	0	0	0	0	112.3	A396	A396-S398 VanDerWaalsContact C-N 3.3Å; A396-S398 PolarHBondContact O-N 3.3Å
399	R	72.9	Confident	69.2	Low	102 Å²	102	48.4 Å²	48.4	39%	0.385	29%	0.294	S	S	.	.			trans	-86.5	134.9	168.1	-70	-176.2	-176.7	174.7	3.1	109.2	F210	F210-R399 HydrophobicContact CD1-CB 4.02Å; F210-R399 HydrophobicContact CD2-CB 3.9Å; F210-R399 HydrophobicContact CE1-CB 3.88Å; F210-R399 HydrophobicContact CE2-CB 3.75Å; F210-R399 WeakPolarHBondContact CE2-O 3.47Å; F210-R399 HydrophobicContact CG-CB 4.02Å; F210-R399 HydrophobicContact CZ-CB 3.74Å; F210-R399 VanDerWaalsContact CZ-O 3.23Å; F210-R399 WeakPolarHBondContact CZ-O 3.44Å; F210-R399 PolarHBondContact O-NH1 3.33Å; F210-R399 VanDerWaalsContact O-NH1 3.08Å
400	R	80.9	Confident	69.6	Low	20 Å²	20	49.3 Å²	49.3	8%	0.075	30%	0.3	C	S	.	.			trans	-107.3	137.1	176	-169.1	168.6	-64.1	168.2	14.5	110.7	G273 L274 P389 L402 G558	G273-R400 WeakPolarHBondContact O-CG 3.4Å; G273-R400 PolarHBondContact O-NE 2.97Å; L274-R400 CarbonylContact O-C 3.36Å; L274-R400 WeakPolarHBondContact O-CA 3.28Å; L274-R400 WeakPolarHBondContact O-CG 3.27Å; P389-R400 WeakPolarHBondContact CD-O 3.44Å; R400-L402 HydrophobicContact CG-CD2 3.82Å; R400-L402 HydrophobicContact CG-CG 4.16Å; R400-G558 PolarHBondContact NH1-O 3.42Å; R400-G558 VanDerWaalsContact NH1-O 3.16Å; R400-G558 PolarHBondContact NH2-O 3.49Å
401	A	87.5	Confident	70.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.9	168.1	0	0	0	0	0	108.8	F210 L228 L274 L275 G276 F386	F210-A401 HydrophobicContact CE1-CB 4.32Å; F210-A401 HydrophobicContact CZ-CB 4.27Å; L228-A401 HydrophobicContact CD2-CB 3.88Å; L274-A401 PolarHBondContact O-N 3.22Å; L275-A401 WeakPolarHBondContact CA-O 3.23Å; L275-A401 HydrophobicContact CD2-CB 4.23Å; G276-A401 PolarHBondContact N-O 2.94Å; F386-A401 HydrophobicContact CB-CB 4Å; F386-A401 HydrophobicContact CD1-CB 3.61Å; F386-A401 HydrophobicContact CE1-CB 4.28Å; F386-A401 HydrophobicContact CG-CB 4Å
402	L	88.5	Confident	72.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.1	-169.5	-67.3	168.7	0	0	0	110.8	G276 Y278 F386 Y387 P389 R400 A562	G276-L402 WeakPolarHBondContact O-CA 3.36Å; Y278-L402 HydrophobicContact CD1-CB 3.94Å; F386-L402 WeakPolarHBondContact CA-O 3.39Å; Y387-L402 HydrophobicContact CD1-CB 4.04Å; Y387-L402 HydrophobicContact CD1-CD1 3.58Å; Y387-L402 HydrophobicContact CD1-CG 4.42Å; Y387-L402 HydrophobicContact CE1-CD1 3.78Å; Y387-L402 PolarHBondContact N-O 3.43Å; Y387-L402 PolarHBondContact O-N 2.72Å; P389-L402 HydrophobicContact CG-CD1 3.76Å; R400-L402 HydrophobicContact CG-CD2 3.82Å; R400-L402 HydrophobicContact CG-CG 4.16Å; L402-A562 HydrophobicContact CD2-CB 4.37Å
403	V	89	Confident	74.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	151.3	169.9	-57.2	0	0	0	0	110.8	G276 I277 Y278 W381 F386 L501	G276-V403 PolarHBondContact O-N 2.81Å; I277-V403 CarbonylContact C-O 3.4Å; I277-V403 VanDerWaalsContact CA-O 3.27Å; I277-V403 WeakPolarHBondContact CA-O 3.14Å; I277-V403 HydrophobicContact CB-CG2 4.37Å; I277-V403 HydrophobicContact CG1-CG2 3.88Å; I277-V403 HydrophobicContact CG2-CG2 4.3Å; Y278-V403 WeakPolarHBondContact CD1-O 3.48Å; Y278-V403 PolarHBondContact N-O 2.85Å; W381-V403 WeakPolarHBondContact O-CG1 3.48Å; F386-V403 HydrophobicContact CD1-CG1 3.36Å; F386-V403 HydrophobicContact CE1-CG1 3.29Å; F386-V403 HydrophobicContact CG-CG1 4.1Å; F386-V403 HydrophobicContact CZ-CG1 3.96Å; V403-L501 HydrophobicContact CG1-CD1 4.1Å; V403-L501 HydrophobicContact CG2-CD1 3.89Å
404	L	84.9	Confident	76.8	Confident	23 Å²	23	42.8 Å²	42.8	12%	0.12	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.6	176.7	-174.3	38.9	0	0	0	110.3	Y278 E280 A406 R440	Y278-L404 HydrophobicContact CD1-CB 4.44Å; Y278-L404 HydrophobicContact CD2-CD1 4.15Å; Y278-L404 HydrophobicContact CE1-CB 3.82Å; Y278-L404 HydrophobicContact CE1-CD1 4.35Å; Y278-L404 HydrophobicContact CE2-CD1 3.75Å; E280-L404 HydrophobicContact CG-CD1 3.94Å; E280-L404 WeakPolarHBondContact OE1-CD2 3.27Å; L404-A406 PolarHBondContact O-N 2.96Å; L404-R440 VanDerWaalsContact CD2-CZ 3.44Å
405	E	85.3	Confident	79.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.5	135	-177.2	77.5	-172.7	170.7	0	0	112	I277 Y278 S279 R378 L379 R440 S442 S933	I277-E405 HydrophobicContact CG2-CB 3.95Å; Y278-E405 WeakPolarHBondContact O-CB 3.4Å; Y278-E405 PolarHBondContact O-N 2.93Å; S279-E405 VanDerWaalsContact CB-CD 3.44Å; S279-E405 VanDerWaalsContact CB-OE1 3.26Å; S279-E405 WeakPolarHBondContact CB-OE1 3.27Å; S279-E405 WeakPolarHBondContact CB-OE2 3.42Å; S279-E405 VanDerWaalsContact OG-CD 3.27Å; S279-E405 PolarHBondContact OG-OE1 3.39Å; R378-E405 IonicContact NH1-OE2 2.94Å; R378-E405 PolarHBondContact NH1-OE2 3.37Å; L379-E405 CarbonylContact O-C 3.45Å; L379-E405 VanDerWaalsContact O-CA 3.27Å; L379-E405 WeakPolarHBondContact O-CA 3.42Å; E405-R440 HydrophobicContact CG-CB 3.97Å; E405-R440 WeakPolarHBondContact O-CB 3.43Å; E405-R440 WeakPolarHBondContact O-CG 3.31Å; E405-S442 WeakPolarHBondContact OE2-CA 3.42Å; E405-S442 PolarHBondContact OE2-N 2.68Å; E405-S442 PolarHBondContact OE2-OG 2.86Å; E405-S933 PolarHBondContact OE1-OG 2.8Å
406	A	85.1	Confident	81.6	Confident	12 Å²	12	32.5 Å²	32.5	10%	0.099	19%	0.187	C	C	.	.			trans	-159	126.6	-178.9	0	0	0	0	0	110.5	L379 L404	L379-A406 CarbonylContact C-O 3.42Å; L379-A406 PolarHBondContact O-N 3.01Å; L404-A406 PolarHBondContact O-N 2.96Å
407	L	85.9	Confident	83.5	Confident	14 Å²	14	33 Å²	33	7%	0.073	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-78	143.9	-179.6	-62.5	-159.7	0	0	0	113.1	L379 L411 L422 L439 L441 I443	L379-L407 HydrophobicContact CB-CD2 4.46Å; L379-L407 HydrophobicContact CD1-CD2 4.4Å; L407-L411 HydrophobicContact CB-CD2 4.25Å; L407-L411 HydrophobicContact CD1-CD2 3.88Å; L407-L411 HydrophobicContact CD2-CD2 3.94Å; L407-L411 HydrophobicContact CG-CD2 4.24Å; L407-L422 HydrophobicContact CD1-CD1 4.41Å; L407-L439 WeakPolarHBondContact CG-O 3.43Å; L407-L439 PolarHBondContact N-O 3.49Å; L407-L441 HydrophobicContact CD1-CB 3.91Å; L407-L441 HydrophobicContact CD1-CD1 3.68Å; L407-L441 HydrophobicContact CD1-CG 4.13Å; L407-L441 HydrophobicContact CD2-CB 4.15Å; L407-L441 HydrophobicContact CG-CB 4Å; L407-L441 HydrophobicContact CG-CG 4.46Å; L407-I443 HydrophobicContact CD1-CD1 4.33Å; L407-I443 HydrophobicContact CD2-CD1 3.85Å; L407-I443 HydrophobicContact CD2-CG1 4.41Å
408	P	85.1	Confident	85.4	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.032	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-64.9	158.3	164.8	-24.8	36.1	0	0	0	114.9	L379 W381 L411 W468 P500	L379-P408 HydrophobicContact CD1-CG 4.19Å; W381-P408 HydrophobicContact CH2-CB 4.2Å; W381-P408 HydrophobicContact CH2-CG 4.15Å; W381-P408 HydrophobicContact CZ2-CB 3.95Å; W381-P408 HydrophobicContact CZ2-CG 3.84Å; P408-L411 HydrophobicContact CG-CD1 4.4Å; P408-L411 WeakPolarHBondContact O-CB 3.49Å; P408-W468 HydrophobicContact CB-CB 3.62Å; P408-W468 HydrophobicContact CB-CG 3.79Å; P408-W468 HydrophobicContact CG-CB 4.46Å; P408-W468 HydrophobicContact CG-CG 4.37Å; P408-P500 HydrophobicContact CG-CB 4.19Å; P408-P500 HydrophobicContact CG-CG 3.69Å
409	R	80.1	Confident	86.8	Confident	25 Å²	25	33 Å²	33	9%	0.094	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140	174.9	-68.7	175.7	172	143.5	-4	110.9	L411 L469 A471 E474 D475	R409-L411 PolarHBondContact O-N 3.3Å; R409-L411 VanDerWaalsContact O-N 3.13Å; R409-L469 HydrophobicContact CB-CB 4.21Å; R409-L469 PolarHBondContact O-N 3.29Å; R409-A471 PolarHBondContact NH1-O 2.98Å; R409-E474 VanDerWaalsContact NH1-C 3.33Å; R409-E474 VanDerWaalsContact NH1-CB 3.31Å; R409-E474 PolarHBondContact NH1-O 2.97Å; R409-E474 PolarHBondContact NH2-O 2.86Å; R409-D475 IonicContact CZ-OD1 3.66Å; R409-D475 IonicContact CZ-OD2 3.7Å; R409-D475 IonicContact NE-OD1 3.19Å; R409-D475 PolarHBondContact NE-OD1 3.03Å; R409-D475 IonicContact NE-OD2 2.73Å; R409-D475 IonicContact NH1-OD1 2.95Å; R409-D475 PolarHBondContact NH1-OD1 2.97Å; R409-D475 IonicContact NH1-OD2 3.93Å; R409-D475 PolarHBondContact NH1-OD2 3.35Å; R409-D475 IonicContact NH2-OD1 2.67Å
410	C	82	Confident	87.6	Confident	34 Å²	34	28.6 Å²	28.6	23%	0.23	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.2	33.3	179.9	-52.8	0	0	0	0	113.8	Y346 S412 L469	Y346-C410 HydrophobicContact CE1-CB 4.02Å; C410-S412 PolarHBondContact O-N 2.89Å; C410-L469 HydrophobicContact CB-CB 4.02Å
411	L	88.2	Confident	87.7	Confident	23 Å²	23	31 Å²	31	12%	0.12	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	130	-178	-175.8	69.2	0	0	0	111.4	L379 L407 P408 R409 I413 L422 I443 T467 W468	L379-L411 HydrophobicContact CD1-CD1 3.91Å; L379-L411 HydrophobicContact CD1-CD2 3.61Å; L379-L411 HydrophobicContact CD1-CG 4.44Å; L407-L411 HydrophobicContact CB-CD2 4.25Å; L407-L411 HydrophobicContact CD1-CD2 3.88Å; L407-L411 HydrophobicContact CD2-CD2 3.94Å; L407-L411 HydrophobicContact CG-CD2 4.24Å; P408-L411 HydrophobicContact CG-CD1 4.4Å; P408-L411 WeakPolarHBondContact O-CB 3.49Å; R409-L411 PolarHBondContact O-N 3.3Å; R409-L411 VanDerWaalsContact O-N 3.13Å; L411-I413 HydrophobicContact CD1-CG1 4.31Å; L411-I413 HydrophobicContact CD2-CD1 3.83Å; L411-I413 HydrophobicContact CD2-CG1 4.18Å; L411-I413 HydrophobicContact CG-CD1 4.21Å; L411-I413 HydrophobicContact CG-CG1 3.99Å; L411-L422 HydrophobicContact CB-CD1 4.35Å; L411-L422 HydrophobicContact CD2-CD1 3.98Å; L411-L422 HydrophobicContact CG-CD1 4.15Å; L411-I443 HydrophobicContact CD2-CD1 4.16Å; L411-T467 CarbonylContact C-O 3.41Å; L411-T467 WeakPolarHBondContact CA-O 3.5Å; L411-W468 HydrophobicContact CD1-CB 4.21Å
412	S	88.5	Confident	87.3	Confident	55 Å²	55	32.7 Å²	32.7	39%	0.385	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.7	173.7	-176.2	0	0	0	0	108.8	C410 T467	C410-S412 PolarHBondContact O-N 2.89Å; S412-T467 PolarHBondContact N-O 3.15Å; S412-T467 PolarHBondContact O-N 3.29Å
413	I	92.4	Very high	86.3	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.9	-171.8	-55.5	175.2	0	0	0	109.2	L377 L411 V415 P419 V420 L422 I443 E465 L466	L377-I413 HydrophobicContact CD2-CD1 3.89Å; L377-I413 HydrophobicContact CD2-CG2 4.09Å; L411-I413 HydrophobicContact CD1-CG1 4.31Å; L411-I413 HydrophobicContact CD2-CD1 3.83Å; L411-I413 HydrophobicContact CD2-CG1 4.18Å; L411-I413 HydrophobicContact CG-CD1 4.21Å; L411-I413 HydrophobicContact CG-CG1 3.99Å; I413-V415 HydrophobicContact CG2-CG2 4.1Å; I413-P419 WeakPolarHBondContact O-CA 3.48Å; I413-V420 HydrophobicContact CB-CB 4.14Å; I413-V420 HydrophobicContact CB-CG2 4.19Å; I413-V420 HydrophobicContact CG2-CB 4.26Å; I413-V420 HydrophobicContact CG2-CG2 3.76Å; I413-V420 PolarHBondContact O-N 2.94Å; I413-L422 HydrophobicContact CD1-CD1 4.11Å; I413-L422 HydrophobicContact CD1-CD2 4.35Å; I413-L422 HydrophobicContact CG1-CD1 4.42Å; I413-I443 HydrophobicContact CD1-CD1 3.36Å; I413-I443 HydrophobicContact CD1-CG2 4.27Å; I413-E465 CarbonylContact C-O 3.59Å; I413-E465 WeakPolarHBondContact CA-O 3.47Å; I413-L466 HydrophobicContact CB-CD2 4.49Å; I413-L466 HydrophobicContact CD1-CD2 4.45Å; I413-L466 HydrophobicContact CG1-CD2 4Å; I413-L466 HydrophobicContact CG2-CD2 4.04Å
414	R	93.2	Very high	84.7	Confident	100 Å²	100	42.4 Å²	42.4	38%	0.377	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.4	166.4	-51.6	175.9	-171.8	-91.2	-4.2	110.3	R418 I464 E465	R414-R418 CarbonylContact C-O 3.54Å; R414-R418 VanDerWaalsContact CA-O 3.24Å; R414-R418 WeakPolarHBondContact CA-O 3.46Å; R414-I464 WeakPolarHBondContact O-CA 3.4Å; R414-E465 HydrophobicContact CB-CB 4.23Å; R414-E465 WeakPolarHBondContact CD-OE2 3.42Å; R414-E465 PolarHBondContact N-O 2.73Å; R414-E465 IonicContact NE-OE1 3.52Å; R414-E465 IonicContact NE-OE2 3.97Å; R414-E465 PolarHBondContact O-N 3.12Å
415	V	93.5	Very high	83.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.8	176.8	177.1	0	0	0	0	107.6	I413 G417 R418 V420 I445 K448 V462 D463 I464	I413-V415 HydrophobicContact CG2-CG2 4.1Å; V415-G417 PolarHBondContact O-N 3.29Å; V415-R418 PolarHBondContact N-O 2.68Å; V415-R418 WeakPolarHBondContact O-CB 3.34Å; V415-R418 PolarHBondContact O-N 3.43Å; V415-V420 HydrophobicContact CG2-CG2 3.91Å; V415-I445 HydrophobicContact CG1-CD1 4.49Å; V415-I445 HydrophobicContact CG2-CB 4.12Å; V415-I445 HydrophobicContact CG2-CD1 4.19Å; V415-I445 HydrophobicContact CG2-CG2 4Å; V415-K448 HydrophobicContact CB-CB 3.59Å; V415-K448 HydrophobicContact CB-CG 4.26Å; V415-K448 HydrophobicContact CG1-CB 3.65Å; V415-V462 HydrophobicContact CG1-CG1 3.53Å; V415-D463 WeakPolarHBondContact CA-O 3.27Å; V415-I464 HydrophobicContact CG1-CG1 4.39Å; V415-I464 HydrophobicContact CG2-CG1 4.18Å; V415-I464 HydrophobicContact CG2-CG2 4.28Å
416	S	88.8	Confident	81.2	Confident	40 Å²	40	50.4 Å²	50.4	28%	0.28	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	40.7	-166.1	-56.9	0	0	0	0	112.6	R418 D463	S416-R418 PolarHBondContact O-N 2.91Å; S416-R418 VanDerWaalsContact O-N 3.13Å; S416-D463 PolarHBondContact N-O 2.77Å
417	G	89.1	Confident	79.3	Confident	52 Å²	52	51.7 Å²	51.7	54%	0.536	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	-7.2	-176.4	0	0	0	0	0	116	V415	V415-G417 PolarHBondContact O-N 3.29Å
418	R	91	Very high	77	Confident	104 Å²	104	58 Å²	58	39%	0.392	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.1	178.1	-57.9	169.7	170.2	-168	-6.3	109.6	R414 V415 S416 K448	R414-R418 CarbonylContact C-O 3.54Å; R414-R418 VanDerWaalsContact CA-O 3.24Å; R414-R418 WeakPolarHBondContact CA-O 3.46Å; V415-R418 PolarHBondContact N-O 2.68Å; V415-R418 WeakPolarHBondContact O-CB 3.34Å; V415-R418 PolarHBondContact O-N 3.43Å; S416-R418 PolarHBondContact O-N 2.91Å; S416-R418 VanDerWaalsContact O-N 3.13Å; R418-K448 HydrophobicContact CB-CD 4.1Å
419	P	91.4	Very high	74.5	Confident	82 Å²	82	60.7 Å²	60.7	53%	0.532	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	137.6	175.3	27.9	-33.9	0	0	0	111	I413 K448	I413-P419 WeakPolarHBondContact O-CA 3.48Å; P419-K448 WeakPolarHBondContact O-CE 3.36Å
420	V	89.6	Confident	72.4	Confident	10 Å²	10	62.8 Å²	62.8	6%	0.061	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-85.2	119.9	164.3	-176.5	0	0	0	0	106.9	I413 V415 L422 I443 I445 K448	I413-V420 HydrophobicContact CB-CB 4.14Å; I413-V420 HydrophobicContact CB-CG2 4.19Å; I413-V420 HydrophobicContact CG2-CB 4.26Å; I413-V420 HydrophobicContact CG2-CG2 3.76Å; I413-V420 PolarHBondContact O-N 2.94Å; V415-V420 HydrophobicContact CG2-CG2 3.91Å; V420-L422 HydrophobicContact CG1-CD2 4.14Å; V420-I443 HydrophobicContact CG1-CG2 3.93Å; V420-I445 HydrophobicContact CG2-CG2 4.04Å; V420-K448 HydrophobicContact CG2-CG 4Å
421	P	83.6	Confident	70.4	Confident	70 Å²	70	66 Å²	66	46%	0.455	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-68.3	132.9	168.5	30.2	-32.9	0	0	0	108.7	P928	P421-P928 HydrophobicContact CG-CG 3.76Å
422	L	78.8	Confident	68.1	Low	37 Å²	37	66.1 Å²	66.1	19%	0.194	40%	0.395	C	S	.	.			trans	-111.7	163.8	169.5	-58.3	178.5	0	0	0	108	L407 L411 I413 V420 I443	L407-L422 HydrophobicContact CD1-CD1 4.41Å; L411-L422 HydrophobicContact CB-CD1 4.35Å; L411-L422 HydrophobicContact CD2-CD1 3.98Å; L411-L422 HydrophobicContact CG-CD1 4.15Å; I413-L422 HydrophobicContact CD1-CD1 4.11Å; I413-L422 HydrophobicContact CD1-CD2 4.35Å; I413-L422 HydrophobicContact CG1-CD1 4.42Å; V420-L422 HydrophobicContact CG1-CD2 4.14Å; L422-I443 HydrophobicContact CD2-CD1 3.96Å; L422-I443 HydrophobicContact CD2-CG1 4.35Å; L422-I443 HydrophobicContact CD2-CG2 3.99Å
423	P	67	Low	65.7	Low	53 Å²	53	69.7 Å²	69.7	34%	0.344	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.9	169.8	-18.1	33.8	0	0	0	109.1	P425 L441 I930	P423-P425 WeakPolarHBondContact O-CD 3.31Å; P423-L441 HydrophobicContact CG-CD1 3.86Å; P423-I930 HydrophobicContact CG-CD1 4.37Å; P423-I930 HydrophobicContact CG-CG2 3.8Å
424	D	55.1	Low	63	Low	150 Å²	150	78.6 Å²	78.6	80%	0.802	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-58.6	122.8	-176.6	-78.6	-48	0	0	0	110	I426	D424-I426 PolarHBondContact O-N 2.86Å
425	P	51.9	Low	60.1	Low	65 Å²	65	77.8 Å²	77.8	42%	0.422	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-68.6	121.9	-175.1	24	-31.8	0	0	0	110.6	P423 F427	P423-P425 WeakPolarHBondContact O-CD 3.31Å; P425-F427 HydrophobicContact CB-CB 4.4Å; P425-F427 HydrophobicContact CB-CD2 3.8Å; P425-F427 PolarHBondContact O-N 3.01Å
426	I	44.4	Very low	57.2	Low	126 Å²	126	80.6 Å²	80.6	65%	0.646	47%	0.471	S	S	*	.			trans	-74	61.1	170.9	-45.2	177.8	0	0	0	109.3	D424	D424-I426 PolarHBondContact O-N 2.86Å
427	F	46.7	Very low	55	Low	39 Å²	39	85.6 Å²	85.6	17%	0.171	49%	0.488	C	S	.	.			trans	-137.1	69.2	-175.4	-68.1	-53.6	0	0	0	110.8	P425 A432	P425-F427 HydrophobicContact CB-CB 4.4Å; P425-F427 HydrophobicContact CB-CD2 3.8Å; P425-F427 PolarHBondContact O-N 3.01Å; F427-A432 HydrophobicContact CD1-CB 4.05Å; F427-A432 HydrophobicContact CE1-CB 4.17Å
428	H	36.8	Very low	53	Low	147 Å²	147	85.9 Å²	85.9	68%	0.681	47%	0.473	S	S	*	.			trans	-89.2	158.4	158.3	-68	-58.8	0	0	0	110.5
429	G	33.3	Very low	51.1	Low	61 Å²	61	83.1 Å²	83.1	63%	0.629	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	133.9	-158.7	0	0	0	0	0	116.5	Q431	G429-Q431 PolarHBondContact O-N 2.88Å
430	G	35.9	Very low	49.7	Very low	69 Å²	69	80.7 Å²	80.7	71%	0.711	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-26.6	171.4	0	0	0	0	0	116.4	A432	G430-A432 PolarHBondContact O-N 3.46Å; G430-A432 VanDerWaalsContact O-N 3.07Å
431	Q	39.6	Very low	48.8	Very low	103 Å²	103	80.2 Å²	80.2	48%	0.481	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.1	-175.7	-74.1	-173.5	-32.4	0	0	114.8	G429 Q433 R434 L435	G429-Q431 PolarHBondContact O-N 2.88Å; Q431-Q433 PolarHBondContact O-N 3.39Å; Q431-R434 PolarHBondContact O-N 3.11Å; Q431-L435 PolarHBondContact O-N 3.03Å
432	A	38.5	Very low	48.7	Very low	24 Å²	24	76.9 Å²	76.9	20%	0.198	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.1	-179.4	0	0	0	0	0	115.5	F427 G430	F427-A432 HydrophobicContact CD1-CB 4.05Å; F427-A432 HydrophobicContact CE1-CB 4.17Å; G430-A432 PolarHBondContact O-N 3.46Å; G430-A432 VanDerWaalsContact O-N 3.07Å
433	Q	38.5	Very low	49.1	Very low	131 Å²	131	75.2 Å²	75.2	61%	0.612	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-42	166.6	-73.8	-178.9	-12.8	0	0	112.8	Q431 L435 E474	Q431-Q433 PolarHBondContact O-N 3.39Å; Q433-L435 VanDerWaalsContact C-N 3.32Å; Q433-L435 PolarHBondContact O-N 2.92Å; Q433-E474 PolarHBondContact NE2-OE2 2.86Å
434	R	36.3	Very low	50.1	Low	188 Å²	188	73.2 Å²	73.2	71%	0.709	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.3	178.4	-73.2	-175.8	170.6	-171.2	-4	113.3	Q431 D1241	Q431-R434 PolarHBondContact O-N 3.11Å; R434-D1241 IonicContact CZ-OD1 3.9Å; R434-D1241 IonicContact NE-OD1 3.93Å; R434-D1241 VanDerWaalsContact NH2-CG 3.27Å; R434-D1241 IonicContact NH2-OD1 3.37Å; R434-D1241 PolarHBondContact NH2-OD1 3.47Å; R434-D1241 IonicContact NH2-OD2 2.93Å
435	L	32.5	Very low	51.8	Low	83 Å²	83	66.1 Å²	66.1	44%	0.435	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	70.2	169.8	-66	173.8	0	0	0	108.4	Q431 Q433 K437	Q431-L435 PolarHBondContact O-N 3.03Å; Q433-L435 VanDerWaalsContact C-N 3.32Å; Q433-L435 PolarHBondContact O-N 2.92Å; L435-K437 PolarHBondContact O-N 2.74Å
436	G	31.3	Very low	53.6	Low	59 Å²	59	63.9 Å²	63.9	61%	0.608	35%	0.347	S	S	*	.			trans	-64.8	16.5	-174.8	0	0	0	0	0	116.8	R438	G436-R438 PolarHBondContact O-N 2.95Å
437	K	42.6	Very low	55.5	Low	145 Å²	145	62 Å²	62	63%	0.63	34%	0.337	S	S	*	.			trans	-84.4	84	-176.7	-57.8	-172.4	180	175.6	0	110.5	L435 L439 L935	L435-K437 PolarHBondContact O-N 2.74Å; K437-L439 PolarHBondContact O-N 2.83Å; K437-L935 HydrophobicContact CB-CD1 4.14Å; K437-L935 HydrophobicContact CD-CD1 3.99Å; K437-L935 HydrophobicContact CG-CD1 3.71Å
438	R	48	Very low	57.4	Low	57 Å²	57	60.9 Å²	60.9	22%	0.215	33%	0.333	C	S	.	.			trans	-59.3	122.9	161.9	-79.2	-166.1	-173.7	122.3	10.4	108.7	G436 R440 D475	G436-R438 PolarHBondContact O-N 2.95Å; R438-R440 PolarHBondContact O-N 2.85Å; R438-D475 IonicContact CZ-OD1 2.73Å; R438-D475 IonicContact NE-OD1 3.87Å; R438-D475 VanDerWaalsContact NH2-CG 3.33Å; R438-D475 PolarHBondContact NH2-O 3.33Å; R438-D475 IonicContact NH2-OD1 3.66Å; R438-D475 PolarHBondContact NH2-OD1 3.37Å
439	L	51.3	Low	59.6	Low	47 Å²	47	54.2 Å²	54.2	25%	0.246	30%	0.302	C	S	.	.			trans	-59.9	125.7	170.8	-64.8	177.4	0	0	0	109.2	L407 K437 L441	L407-L439 WeakPolarHBondContact CG-O 3.43Å; L407-L439 PolarHBondContact N-O 3.49Å; K437-L439 PolarHBondContact O-N 2.83Å; L439-L441 HydrophobicContact CB-CD1 4.3Å; L439-L441 HydrophobicContact CB-CG 4.26Å
440	R	62.3	Low	61.3	Low	30 Å²	30	53.7 Å²	53.7	11%	0.113	29%	0.285	C	S	.	.			trans	-101.6	100.8	178.4	-59.9	-168.5	178.1	179.6	-19.3	108	E280 L404 E405 R438 I932 S933 P934 P936	E280-R440 IonicContact OE1-CZ 3.25Å; E280-R440 IonicContact OE1-NH1 2.96Å; E280-R440 PolarHBondContact OE1-NH1 2.85Å; E280-R440 IonicContact OE2-NH1 3.37Å; E280-R440 PolarHBondContact OE2-NH1 2.98Å; L404-R440 VanDerWaalsContact CD2-CZ 3.44Å; E405-R440 HydrophobicContact CG-CB 3.97Å; E405-R440 WeakPolarHBondContact O-CB 3.43Å; E405-R440 WeakPolarHBondContact O-CG 3.31Å; R438-R440 PolarHBondContact O-N 2.85Å; R440-I932 CarbonylContact O-C 3.58Å; R440-I932 VanDerWaalsContact O-CA 3.23Å; R440-I932 WeakPolarHBondContact O-CA 3.22Å; R440-I932 VanDerWaalsContact O-CG2 3.24Å; R440-I932 WeakPolarHBondContact O-CG2 3.5Å; R440-S933 PolarHBondContact O-N 2.74Å; R440-P934 VanDerWaalsContact CD-O 3.25Å; R440-P934 WeakPolarHBondContact CD-O 3.42Å; R440-P934 VanDerWaalsContact CZ-O 3.32Å; R440-P934 PolarHBondContact NE-O 2.93Å; R440-P934 PolarHBondContact NH1-O 2.78Å; R440-P936 VanDerWaalsContact NH1-CD 3.31Å
441	L	69.5	Low	62.8	Low	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.8	-169.4	-70	-178.8	0	0	0	111.9	L407 P423 L439 I443 I930 V931 I932	L407-L441 HydrophobicContact CD1-CB 3.91Å; L407-L441 HydrophobicContact CD1-CD1 3.68Å; L407-L441 HydrophobicContact CD1-CG 4.13Å; L407-L441 HydrophobicContact CD2-CB 4.15Å; L407-L441 HydrophobicContact CG-CB 4Å; L407-L441 HydrophobicContact CG-CG 4.46Å; P423-L441 HydrophobicContact CG-CD1 3.86Å; L439-L441 HydrophobicContact CB-CD1 4.3Å; L439-L441 HydrophobicContact CB-CG 4.26Å; L441-I443 HydrophobicContact CB-CG1 4.31Å; L441-I930 HydrophobicContact CD1-CG2 3.81Å; L441-I930 HydrophobicContact CD2-CG2 3.41Å; L441-I930 VanDerWaalsContact CD2-CG2 3.41Å; L441-I930 HydrophobicContact CG-CG2 4.14Å; L441-V931 WeakPolarHBondContact CD2-O 3.37Å; L441-I932 HydrophobicContact CD2-CB 3.89Å; L441-I932 HydrophobicContact CD2-CG1 3.67Å; L441-I932 HydrophobicContact CD2-CG2 3.83Å
442	S	81.7	Confident	63.7	Low	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.8	157.8	-68.7	0	0	0	0	108.4	S279 R378 E405 V931	S279-S442 PolarHBondContact OG-OG 3.24Å; R378-S442 PolarHBondContact NH1-OG 3.07Å; E405-S442 WeakPolarHBondContact OE2-CA 3.42Å; E405-S442 PolarHBondContact OE2-N 2.68Å; E405-S442 PolarHBondContact OE2-OG 2.86Å; S442-V931 PolarHBondContact N-O 3.45Å
443	I	88.4	Confident	64.3	Low	1 Å²	1	59 Å²	59	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	100.3	-172.5	-50.3	-178.9	0	0	0	109.7	V376 L377 L407 L411 I413 V420 L422 L441 I445	V376-I443 WeakPolarHBondContact CA-O 3.48Å; L377-I443 HydrophobicContact CB-CB 4.3Å; L377-I443 PolarHBondContact N-O 3.08Å; L377-I443 WeakPolarHBondContact O-CB 3.4Å; L377-I443 PolarHBondContact O-N 3.32Å; L407-I443 HydrophobicContact CD1-CD1 4.33Å; L407-I443 HydrophobicContact CD2-CD1 3.85Å; L407-I443 HydrophobicContact CD2-CG1 4.41Å; L411-I443 HydrophobicContact CD2-CD1 4.16Å; I413-I443 HydrophobicContact CD1-CD1 3.36Å; I413-I443 HydrophobicContact CD1-CG2 4.27Å; V420-I443 HydrophobicContact CG1-CG2 3.93Å; L422-I443 HydrophobicContact CD2-CD1 3.96Å; L422-I443 HydrophobicContact CD2-CG1 4.35Å; L422-I443 HydrophobicContact CD2-CG2 3.99Å; L441-I443 HydrophobicContact CB-CG1 4.31Å; I443-I445 HydrophobicContact CG2-CG2 4Å; I443-I445 PolarHBondContact O-N 2.92Å
444	D	88.2	Confident	65	Low	12 Å²	12	56.8 Å²	56.8	6%	0.064	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	119.5	168	178.4	21.7	0	0	0	110.6	R374 T446	R374-D444 IonicContact NE-OD2 3.2Å; D444-T446 WeakPolarHBondContact OD1-CB 3.47Å; D444-T446 PolarHBondContact OD1-N 2.88Å; D444-T446 PolarHBondContact OD1-OG1 3.13Å
445	I	90.8	Very high	65.8	Low	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.294	C	S	.	.			trans	-113.9	8.5	176.1	62	167.1	0	0	0	112.8	V375 L377 V415 V420 I443 D447 K448 V449 I464	V375-I445 HydrophobicContact CB-CG1 4.09Å; V375-I445 HydrophobicContact CG1-CD1 3.9Å; V375-I445 HydrophobicContact CG1-CG1 3.79Å; V375-I445 VanDerWaalsContact O-CG1 3.25Å; V375-I445 WeakPolarHBondContact O-CG1 3.44Å; V375-I445 PolarHBondContact O-N 2.98Å; L377-I445 HydrophobicContact CB-CD1 4.31Å; L377-I445 HydrophobicContact CB-CG2 4.19Å; V415-I445 HydrophobicContact CG1-CD1 4.49Å; V415-I445 HydrophobicContact CG2-CB 4.12Å; V415-I445 HydrophobicContact CG2-CD1 4.19Å; V415-I445 HydrophobicContact CG2-CG2 4Å; V420-I445 HydrophobicContact CG2-CG2 4.04Å; I443-I445 HydrophobicContact CG2-CG2 4Å; I443-I445 PolarHBondContact O-N 2.92Å; I445-D447 VanDerWaalsContact C-N 3.32Å; I445-D447 PolarHBondContact O-N 3.37Å; I445-K448 PolarHBondContact O-N 3.17Å; I445-V449 PolarHBondContact O-N 3.09Å; I445-I464 HydrophobicContact CD1-CD1 3.57Å
446	T	89.6	Confident	66.7	Low	19 Å²	19	49.6 Å²	49.6	12%	0.117	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.9	-173.3	-49.3	0	0	0	0	112.8	L363 R374 V375 D444 K448 V449	L363-T446 HydrophobicContact CD2-CG2 4.12Å; R374-T446 VanDerWaalsContact CA-OG1 3.31Å; R374-T446 WeakPolarHBondContact CA-OG1 3.23Å; V375-T446 PolarHBondContact N-OG1 2.94Å; D444-T446 WeakPolarHBondContact OD1-CB 3.47Å; D444-T446 PolarHBondContact OD1-N 2.88Å; D444-T446 PolarHBondContact OD1-OG1 3.13Å; T446-K448 PolarHBondContact O-N 2.93Å; T446-V449 PolarHBondContact O-N 3.35Å
447	D	84.2	Confident	67.7	Low	85 Å²	85	52.1 Å²	52.1	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.8	179.7	83.9	-50.2	0	0	0	113.7	I445	I445-D447 VanDerWaalsContact C-N 3.32Å; I445-D447 PolarHBondContact O-N 3.37Å
448	K	86	Confident	68.2	Low	16 Å²	16	55.6 Å²	55.6	7%	0.07	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-28.5	175.6	-51.6	-51.4	-175.9	-74.5	0	112.2	V415 R418 P419 V420 I445 T446 L450	V415-K448 HydrophobicContact CB-CB 3.59Å; V415-K448 HydrophobicContact CB-CG 4.26Å; V415-K448 HydrophobicContact CG1-CB 3.65Å; R418-K448 HydrophobicContact CB-CD 4.1Å; P419-K448 WeakPolarHBondContact O-CE 3.36Å; V420-K448 HydrophobicContact CG2-CG 4Å; I445-K448 PolarHBondContact O-N 3.17Å; T446-K448 PolarHBondContact O-N 2.93Å; K448-L450 PolarHBondContact O-N 3.35Å
449	V	83.4	Confident	68.8	Low	7 Å²	7	54 Å²	54	4%	0.042	31%	0.308	C	S	.	.	S	Bend	trans	-59.5	121.3	172.1	175.3	0	0	0	0	109.4	L355 V375 I445 T446 L451 V462	L355-V449 HydrophobicContact CD1-CG1 3.52Å; L355-V449 HydrophobicContact CD1-CG2 4.45Å; V375-V449 HydrophobicContact CB-CG2 4.43Å; V375-V449 HydrophobicContact CG2-CG2 4.34Å; I445-V449 PolarHBondContact O-N 3.09Å; T446-V449 PolarHBondContact O-N 3.35Å; V449-L451 VanDerWaalsContact C-N 3.32Å; V449-L451 HydrophobicContact CG1-CD2 3.81Å; V449-L451 HydrophobicContact CG1-CG 3.98Å; V449-L451 PolarHBondContact O-N 2.85Å; V449-V462 HydrophobicContact CG1-CG2 4.14Å; V449-V462 HydrophobicContact CG2-CG1 4.46Å
450	L	67.9	Low	70	Confident	51 Å²	51	55.4 Å²	55.4	27%	0.267	31%	0.31	S	S	.	.			trans	-88.1	61.7	-160.2	-127.5	171.2	0	0	0	113.6	K448 K452 N459	K448-L450 PolarHBondContact O-N 3.35Å; L450-K452 HydrophobicContact CD2-CD 4.46Å; L450-K452 HydrophobicContact CD2-CG 3.78Å; L450-K452 PolarHBondContact O-N 3.43Å; L450-N459 WeakPolarHBondContact O-CB 3.4Å
451	L	68	Low	71	Confident	48 Å²	48	57.7 Å²	57.7	25%	0.251	33%	0.327	S	S	.	.			trans	-69	59.2	-176.3	-56.6	175.6	0	0	0	114.2	V360 L363 V449 C453	V360-L451 HydrophobicContact CG1-CD2 4.18Å; V360-L451 HydrophobicContact CG2-CD2 4.19Å; L363-L451 HydrophobicContact CB-CD1 3.58Å; L363-L451 HydrophobicContact CD1-CD1 4.36Å; V449-L451 VanDerWaalsContact C-N 3.32Å; V449-L451 HydrophobicContact CG1-CD2 3.81Å; V449-L451 HydrophobicContact CG1-CG 3.98Å; V449-L451 PolarHBondContact O-N 2.85Å; L451-C453 PolarHBondContact O-N 3.06Å
452	K	59.3	Low	71.9	Confident	140 Å²	140	57.7 Å²	57.7	61%	0.609	33%	0.328	S	S	*	.			trans	-64.4	131.3	174.7	-46.4	-177.6	178.7	-179.6	0	110.2	L450 N459	L450-K452 HydrophobicContact CD2-CD 4.46Å; L450-K452 HydrophobicContact CD2-CG 3.78Å; L450-K452 PolarHBondContact O-N 3.43Å; K452-N459 WeakPolarHBondContact CB-ND2 3.3Å; K452-N459 PolarHBondContact N-ND2 3.15Å; K452-N459 PolarHBondContact O-ND2 2.73Å
453	C	50.4	Low	72.4	Confident	118 Å²	118	61.3 Å²	61.3	80%	0.797	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	154.1	168.9	-157	0	0	0	0	111	L451 S455	L451-C453 PolarHBondContact O-N 3.06Å; C453-S455 PolarHBondContact O-N 3.34Å
454	G	53.8	Low	72.7	Confident	85 Å²	85	61.3 Å²	61.3	88%	0.876	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-14.4	172.3	0	0	0	0	0	118
455	S	52.1	Low	72.9	Confident	52 Å²	52	63.5 Å²	63.5	36%	0.364	36%	0.357	S	S	.	.			trans	-118.3	98.7	176.4	-163.8	0	0	0	0	113	C453 V457	C453-S455 PolarHBondContact O-N 3.34Å; S455-V457 PolarHBondContact O-N 3.14Å; S455-V457 VanDerWaalsContact O-N 3.14Å
456	A	51.5	Low	73.1	Confident	68 Å²	68	63.6 Å²	63.6	56%	0.562	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.1	-176.5	0	0	0	0	0	115.4	R460	A456-R460 PolarHBondContact O-NE 2.82Å; A456-R460 PolarHBondContact O-NH2 2.9Å
457	V	52.7	Low	73.1	Confident	112 Å²	112	63.2 Å²	63.2	68%	0.679	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-44.7	-171.1	-175.3	0	0	0	0	112.8	S455 N459	S455-V457 PolarHBondContact O-N 3.14Å; S455-V457 VanDerWaalsContact O-N 3.14Å; V457-N459 PolarHBondContact O-N 3.42Å
458	R	53.5	Low	73.4	Confident	219 Å²	219	59.2 Å²	59.2	83%	0.826	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.2	-164.9	-72.6	-174.6	172.1	172.3	-1.9	116.7
459	N	60.6	Low	73.4	Confident	24 Å²	24	58.7 Å²	58.7	13%	0.128	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	17.8	-170.7	-59.7	-29.5	0	0	0	114.7	L450 K452 V457	L450-N459 WeakPolarHBondContact O-CB 3.4Å; K452-N459 WeakPolarHBondContact CB-ND2 3.3Å; K452-N459 PolarHBondContact N-ND2 3.15Å; K452-N459 PolarHBondContact O-ND2 2.73Å; V457-N459 PolarHBondContact O-N 3.42Å
460	R	75.8	Confident	73.6	Confident	75 Å²	75	58.4 Å²	58.4	28%	0.283	33%	0.33	S	S	.	.	S	Bend	trans	-89.6	-25	-180	-63.4	-170.8	-155.5	172.9	8.7	113.8	L355 A456	L355-R460 PolarHBondContact N-O 3.11Å; L355-R460 WeakPolarHBondContact O-CB 3.22Å; L355-R460 WeakPolarHBondContact O-CD 3.43Å; L355-R460 WeakPolarHBondContact O-CG 3.39Å; A456-R460 PolarHBondContact O-NE 2.82Å; A456-R460 PolarHBondContact O-NH2 2.9Å
461	V	84.2	Confident	74.5	Confident	78 Å²	78	56 Å²	56	47%	0.473	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.1	-171.9	-175.7	0	0	0	0	108.8	T352 E354	T352-V461 HydrophobicContact CG2-CG1 3.25Å; E354-V461 HydrophobicContact CG-CG2 4.34Å
462	V	88.2	Confident	75.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	107.6	-172.7	-178.7	0	0	0	0	109.8	L353 L355 V415 V449 I464	L353-V462 HydrophobicContact CB-CB 4.37Å; L353-V462 PolarHBondContact N-O 3.03Å; L353-V462 PolarHBondContact O-N 2.84Å; L355-V462 HydrophobicContact CD1-CG2 4.16Å; V415-V462 HydrophobicContact CG1-CG1 3.53Å; V449-V462 HydrophobicContact CG1-CG2 4.14Å; V449-V462 HydrophobicContact CG2-CG1 4.46Å; V462-I464 HydrophobicContact CG1-CG1 4.32Å
463	D	91.9	Very high	76.3	Confident	76 Å²	76	47.7 Å²	47.7	41%	0.406	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.8	173.5	-58.1	-44.8	0	0	0	111.1	T352 V415 S416	T352-D463 WeakPolarHBondContact CB-OD1 3.29Å; T352-D463 WeakPolarHBondContact CG2-OD1 3.32Å; T352-D463 PolarHBondContact OG1-OD1 3.18Å; V415-D463 WeakPolarHBondContact CA-O 3.27Å; S416-D463 PolarHBondContact N-O 2.77Å
464	I	94.2	Very high	77.6	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.3	178.5	-56.6	-175.6	0	0	0	108.3	V350 F351 L353 L377 R414 V415 I445 V462 L466	V350-I464 WeakPolarHBondContact CA-O 3.29Å; F351-I464 HydrophobicContact CD1-CB 4.31Å; F351-I464 HydrophobicContact CD2-CB 4.36Å; F351-I464 HydrophobicContact CE1-CB 3.88Å; F351-I464 HydrophobicContact CE1-CG2 3.71Å; F351-I464 HydrophobicContact CE2-CB 3.94Å; F351-I464 HydrophobicContact CE2-CD1 3.81Å; F351-I464 HydrophobicContact CE2-CG1 4.23Å; F351-I464 HydrophobicContact CE2-CG2 4.42Å; F351-I464 HydrophobicContact CZ-CB 3.69Å; F351-I464 HydrophobicContact CZ-CD1 3.87Å; F351-I464 HydrophobicContact CZ-CG1 4.28Å; F351-I464 HydrophobicContact CZ-CG2 3.67Å; F351-I464 PolarHBondContact N-O 3.28Å; F351-I464 PolarHBondContact O-N 2.96Å; L353-I464 HydrophobicContact CB-CD1 4.41Å; L353-I464 HydrophobicContact CD2-CD1 4.27Å; L377-I464 HydrophobicContact CD2-CG2 4.42Å; R414-I464 WeakPolarHBondContact O-CA 3.4Å; V415-I464 HydrophobicContact CG1-CG1 4.39Å; V415-I464 HydrophobicContact CG2-CG1 4.18Å; V415-I464 HydrophobicContact CG2-CG2 4.28Å; I445-I464 HydrophobicContact CD1-CD1 3.57Å; V462-I464 HydrophobicContact CG1-CG1 4.32Å; I464-L466 HydrophobicContact CG2-CD2 3.92Å
465	E	94	Very high	78.3	Confident	59 Å²	59	39.8 Å²	39.8	28%	0.276	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.7	175.7	175	-169.6	146.9	0	0	108.6	T348 V350 I413 R414	T348-E465 HydrophobicContact CG2-CG 4.04Å; V350-E465 HydrophobicContact CG2-CB 4.11Å; V350-E465 HydrophobicContact CG2-CG 4.04Å; I413-E465 CarbonylContact C-O 3.59Å; I413-E465 WeakPolarHBondContact CA-O 3.47Å; R414-E465 HydrophobicContact CB-CB 4.23Å; R414-E465 WeakPolarHBondContact CD-OE2 3.42Å; R414-E465 PolarHBondContact N-O 2.73Å; R414-E465 IonicContact NE-OE1 3.52Å; R414-E465 IonicContact NE-OE2 3.97Å; R414-E465 PolarHBondContact O-N 3.12Å
466	L	93.5	Very high	78.9	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.4	170.7	-51	-176.6	0	0	0	108.7	T348 Y349 F351 L377 L379 I413 I464 W468 V502	T348-L466 CarbonylContact C-O 3.55Å; T348-L466 VanDerWaalsContact CA-O 3.28Å; T348-L466 WeakPolarHBondContact CA-O 3.26Å; Y349-L466 HydrophobicContact CD1-CD1 4.4Å; Y349-L466 PolarHBondContact N-O 3.42Å; Y349-L466 PolarHBondContact O-N 3.44Å; F351-L466 HydrophobicContact CE1-CD1 4.11Å; F351-L466 HydrophobicContact CE1-CG 4.21Å; L377-L466 HydrophobicContact CD2-CD2 3.81Å; L379-L466 HydrophobicContact CD2-CD1 3.96Å; I413-L466 HydrophobicContact CB-CD2 4.49Å; I413-L466 HydrophobicContact CD1-CD2 4.45Å; I413-L466 HydrophobicContact CG1-CD2 4Å; I413-L466 HydrophobicContact CG2-CD2 4.04Å; I464-L466 HydrophobicContact CG2-CD2 3.92Å; L466-W468 HydrophobicContact CB-CE3 4.21Å; L466-W468 HydrophobicContact CB-CZ3 4.09Å; L466-V502 HydrophobicContact CD1-CG2 3.99Å
467	T	90.5	Very high	79.4	Confident	12 Å²	12	39.6 Å²	39.6	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.5	170.4	-68	0	0	0	0	109.3	I305 M347 T348 L411 S412	I305-T467 HydrophobicContact CD1-CG2 3.52Å; M347-T467 VanDerWaalsContact O-CA 3.31Å; M347-T467 WeakPolarHBondContact O-CA 3.37Å; T348-T467 PolarHBondContact OG1-OG1 3.21Å; L411-T467 CarbonylContact C-O 3.41Å; L411-T467 WeakPolarHBondContact CA-O 3.5Å; S412-T467 PolarHBondContact N-O 3.15Å; S412-T467 PolarHBondContact O-N 3.29Å
468	W	89.2	Confident	80.1	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	164.2	179.9	67.7	99.4	0	0	0	111.8	T296 P298 Y346 M347 P408 L411 L466 L499 P500	T296-W468 HydrophobicContact CG2-CH2 3.75Å; T296-W468 HydrophobicContact CG2-CZ2 4.34Å; T296-W468 HydrophobicContact CG2-CZ3 4.21Å; T296-W468 WeakPolarHBondContact OG1-CH2 3.33Å; P298-W468 HydrophobicContact CB-CH2 4.3Å; Y346-W468 WeakPolarHBondContact CA-O 3.16Å; M347-W468 HydrophobicContact CB-CD2 4.37Å; M347-W468 HydrophobicContact CB-CH2 4.02Å; M347-W468 HydrophobicContact CB-CZ2 3.68Å; M347-W468 PolarHBondContact N-O 2.9Å; M347-W468 PolarHBondContact O-N 3.17Å; M347-W468 HydrophobicContact SD-CZ2 4.33Å; P408-W468 HydrophobicContact CB-CB 3.62Å; P408-W468 HydrophobicContact CB-CG 3.79Å; P408-W468 HydrophobicContact CG-CB 4.46Å; P408-W468 HydrophobicContact CG-CG 4.37Å; L411-W468 HydrophobicContact CD1-CB 4.21Å; L466-W468 HydrophobicContact CB-CE3 4.21Å; L466-W468 HydrophobicContact CB-CZ3 4.09Å; W468-L499 HydrophobicContact CZ2-CD2 4.11Å; W468-P500 HydrophobicContact CD2-CG 4.37Å; W468-P500 HydrophobicContact CZ2-CG 4.11Å
469	L	86.7	Confident	81.2	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.6	169.4	-179.3	52.7	0	0	0	108.8	V312 L315 Y346 R409 C410	V312-L469 HydrophobicContact CG2-CD1 3.96Å; L315-L469 HydrophobicContact CD1-CD1 4.49Å; L315-L469 HydrophobicContact CD1-CD2 3.75Å; L315-L469 HydrophobicContact CD1-CG 4.28Å; Y346-L469 HydrophobicContact CD1-CB 4.09Å; Y346-L469 HydrophobicContact CD1-CD1 4.47Å; Y346-L469 HydrophobicContact CD2-CD1 4.5Å; Y346-L469 HydrophobicContact CE1-CB 3.73Å; Y346-L469 HydrophobicContact CE1-CD1 4.4Å; Y346-L469 HydrophobicContact CE1-CG 4.49Å; Y346-L469 HydrophobicContact CE2-CD1 4.42Å; R409-L469 HydrophobicContact CB-CB 4.21Å; R409-L469 PolarHBondContact O-N 3.29Å; C410-L469 HydrophobicContact CB-CB 4.02Å
470	H	87.6	Confident	82.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.8	174.5	180	52.9	0	0	0	108.7	T343 T344 D345 M347 H495 G498	T343-H470 PolarHBondContact O-CD2 3.21Å; T343-H470 PolarHBondContact O-NE2 3.3Å; T344-H470 VanDerWaalsContact CA-O 3.25Å; T344-H470 WeakPolarHBondContact CA-O 3.39Å; D345-H470 PolarHBondContact N-O 2.9Å; D345-H470 VanDerWaalsContact N-O 3.15Å; D345-H470 PolarHBondContact O-N 3.16Å; M347-H470 HydrophobicContact CG-CB 3.83Å; M347-H470 HydrophobicContact SD-CB 3.67Å; M347-H470 PolarHBondContact SD-CD2 3.34Å; H470-H495 AromaticContact NE2-CE1 3.97Å; H470-H495 AromaticContact NE2-ND1 3.81Å; H470-G498 PolarHBondContact CE1-O 3.41Å
471	A	86.9	Confident	82.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.			trans	-147.4	66.7	179.8	0	0	0	0	0	110.8	L315 T344 R409 L473 E474 D475	L315-A471 HydrophobicContact CD1-CB 4.21Å; T344-A471 HydrophobicContact CG2-CB 4.06Å; R409-A471 PolarHBondContact NH1-O 2.98Å; A471-L473 PolarHBondContact O-N 2.87Å; A471-E474 HydrophobicContact CB-CB 4.46Å; A471-E474 CarbonylContact O-C 3.54Å; A471-E474 WeakPolarHBondContact O-CA 3.46Å; A471-E474 PolarHBondContact O-N 3.08Å; A471-D475 PolarHBondContact O-N 3Å
472	P	83.7	Confident	82.7	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-37.8	-162.6	23.5	-33.5	0	0	0	114.1	F342 T343 E474 D475 Q476	F342-P472 HydrophobicContact CB-CG 4.18Å; F342-P472 HydrophobicContact CD1-CB 4.04Å; F342-P472 HydrophobicContact CD1-CG 3.97Å; T343-P472 WeakPolarHBondContact O-CD 3.23Å; P472-E474 PolarHBondContact O-N 2.8Å; P472-D475 CarbonylContact O-C 3.48Å; P472-D475 PolarHBondContact O-N 3.3Å; P472-Q476 WeakPolarHBondContact O-CB 3.31Å; P472-Q476 PolarHBondContact O-N 3.37Å
473	L	82.4	Confident	82.5	Confident	11 Å²	11	25.4 Å²	25.4	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-71.2	-9.8	176.4	-73.2	173.2	0	0	0	114.8	A319 K322 V323 A337 F342 A471 L481	A319-L473 HydrophobicContact CB-CB 4.47Å; A319-L473 HydrophobicContact CB-CD1 4.07Å; K322-L473 HydrophobicContact CB-CD1 4.41Å; K322-L473 HydrophobicContact CD-CB 4.2Å; K322-L473 PolarHBondContact NZ-O 2.91Å; V323-L473 HydrophobicContact CG2-CD1 3.6Å; A337-L473 HydrophobicContact CB-CD1 4.15Å; F342-L473 HydrophobicContact CB-CD1 3.61Å; F342-L473 HydrophobicContact CB-CG 3.73Å; F342-L473 HydrophobicContact CD1-CD1 4.36Å; F342-L473 HydrophobicContact CD1-CD2 3.78Å; F342-L473 HydrophobicContact CD1-CG 3.66Å; F342-L473 HydrophobicContact CD2-CD1 3.86Å; F342-L473 HydrophobicContact CD2-CD2 3.92Å; F342-L473 HydrophobicContact CD2-CG 3.98Å; F342-L473 HydrophobicContact CE1-CD2 3.88Å; F342-L473 HydrophobicContact CE1-CG 4.28Å; F342-L473 HydrophobicContact CE2-CD2 4.08Å; F342-L473 HydrophobicContact CG-CD1 3.68Å; F342-L473 HydrophobicContact CG-CD2 3.82Å; F342-L473 HydrophobicContact CG-CG 3.5Å; F342-L473 VanDerWaalsContact CG-CG 3.5Å; F342-L473 HydrophobicContact CZ-CD2 4.05Å; A471-L473 PolarHBondContact O-N 2.87Å; L473-L481 HydrophobicContact CD2-CB 4.08Å; L473-L481 HydrophobicContact CD2-CD1 4.36Å; L473-L481 HydrophobicContact CD2-CD2 4.19Å; L473-L481 HydrophobicContact CD2-CG 4.46Å
474	E	76.8	Confident	82.2	Confident	18 Å²	18	22 Å²	22	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-104	-15.3	167.9	-55.3	-39.7	129	0	0	112.5	L315 M318 K322 R409 Q433 A471 P472	L315-E474 HydrophobicContact CD2-CB 4.42Å; L315-E474 HydrophobicContact CD2-CG 3.69Å; M318-E474 WeakPolarHBondContact CG-OE1 3.31Å; M318-E474 VanDerWaalsContact SD-CD 3.54Å; M318-E474 HydrophobicContact SD-CG 4.39Å; K322-E474 WeakPolarHBondContact CE-OE1 3.41Å; K322-E474 IonicContact NZ-OE1 3.92Å; K322-E474 PolarHBondContact NZ-OE1 3.14Å; K322-E474 IonicContact NZ-OE2 3.87Å; K322-E474 PolarHBondContact NZ-OE2 3.31Å; R409-E474 VanDerWaalsContact NH1-C 3.33Å; R409-E474 VanDerWaalsContact NH1-CB 3.31Å; R409-E474 PolarHBondContact NH1-O 2.97Å; R409-E474 PolarHBondContact NH2-O 2.86Å; Q433-E474 PolarHBondContact NE2-OE2 2.86Å; A471-E474 HydrophobicContact CB-CB 4.46Å; A471-E474 CarbonylContact O-C 3.54Å; A471-E474 WeakPolarHBondContact O-CA 3.46Å; A471-E474 PolarHBondContact O-N 3.08Å; P472-E474 PolarHBondContact O-N 2.8Å
475	D	68.2	Low	81.7	Confident	18 Å²	18	22.9 Å²	22.9	10%	0.096	14%	0.14	C	C	.	.	H	α-helix	trans	-99.2	-17.1	-178.1	-90.3	-55.3	0	0	0	113.2	R409 R438 A471 P472	R409-D475 IonicContact CZ-OD1 3.66Å; R409-D475 IonicContact CZ-OD2 3.7Å; R409-D475 IonicContact NE-OD1 3.19Å; R409-D475 PolarHBondContact NE-OD1 3.03Å; R409-D475 IonicContact NE-OD2 2.73Å; R409-D475 IonicContact NH1-OD1 2.95Å; R409-D475 PolarHBondContact NH1-OD1 2.97Å; R409-D475 IonicContact NH1-OD2 3.93Å; R409-D475 PolarHBondContact NH1-OD2 3.35Å; R409-D475 IonicContact NH2-OD1 2.67Å; R438-D475 IonicContact CZ-OD1 2.73Å; R438-D475 IonicContact NE-OD1 3.87Å; R438-D475 VanDerWaalsContact NH2-CG 3.33Å; R438-D475 PolarHBondContact NH2-O 3.33Å; R438-D475 IonicContact NH2-OD1 3.66Å; R438-D475 PolarHBondContact NH2-OD1 3.37Å; A471-D475 PolarHBondContact O-N 3Å; P472-D475 CarbonylContact O-C 3.48Å; P472-D475 PolarHBondContact O-N 3.3Å
476	Q	64.9	Low	81.2	Confident	27 Å²	27	24.9 Å²	24.9	13%	0.126	15%	0.152	C	C	.	.	S	Bend	trans	-140.4	159.6	-169.1	-57.8	172.5	-10	0	0	110.1	T383 P472	T383-Q476 HydrophobicContact CG2-CG 4.44Å; T383-Q476 PolarHBondContact OG1-NE2 3.01Å; T383-Q476 VanDerWaalsContact OG1-NE2 3.08Å; P472-Q476 WeakPolarHBondContact O-CB 3.31Å; P472-Q476 PolarHBondContact O-N 3.37Å
477	S	62.8	Low	80.6	Confident	89 Å²	89	26.5 Å²	26.5	62%	0.622	17%	0.169	S	C	*	.			trans	-78.4	161	-172.9	72.2	0	0	0	0	113.2	G479 L480	S477-G479 PolarHBondContact O-N 2.84Å; S477-G479 PolarHBondContact OG-N 3.22Å; S477-L480 PolarHBondContact O-N 2.94Å
478	V	67	Low	80.1	Confident	92 Å²	92	30 Å²	30	56%	0.558	19%	0.187	S	C	*	.	H	α-helix	trans	-52.9	-21	171.6	179.3	0	0	0	0	112.3	Y326 L480 L481 N482	Y326-V478 HydrophobicContact CE2-CG1 4.17Å; V478-L480 VanDerWaalsContact C-N 3.31Å; V478-L480 PolarHBondContact O-N 3.45Å; V478-L481 WeakPolarHBondContact O-CA 3.11Å; V478-L481 WeakPolarHBondContact O-CB 3.43Å; V478-L481 PolarHBondContact O-N 2.94Å; V478-N482 WeakPolarHBondContact CG1-OD1 3.28Å; V478-N482 PolarHBondContact O-N 3.2Å; V478-N482 PolarHBondContact O-OD1 3.35Å
479	G	77.1	Confident	79.9	Confident	31 Å²	31	30.1 Å²	30.1	32%	0.32	19%	0.188	S	C	.	.	H	α-helix	trans	-57.3	-35.1	175.8	0	0	0	0	0	114.8	S477 L483	S477-G479 PolarHBondContact O-N 2.84Å; S477-G479 PolarHBondContact OG-N 3.22Å; G479-L483 WeakPolarHBondContact O-CG 3.5Å; G479-L483 PolarHBondContact O-N 2.77Å
480	L	81.5	Confident	79.8	Confident	8 Å²	8	30.6 Å²	30.6	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-74.6	-32.6	175.1	-173.8	56.9	0	0	0	111.7	L234 F342 T383 S477 V478 L483 V484 V489	L234-L480 HydrophobicContact CD1-CD1 4.07Å; L234-L480 HydrophobicContact CD2-CD1 3.91Å; F342-L480 HydrophobicContact CE1-CB 4.38Å; F342-L480 HydrophobicContact CE1-CD2 3.98Å; F342-L480 HydrophobicContact CE1-CG 3.95Å; F342-L480 HydrophobicContact CZ-CB 4.32Å; F342-L480 HydrophobicContact CZ-CD2 4.47Å; F342-L480 HydrophobicContact CZ-CG 3.95Å; T383-L480 HydrophobicContact CG2-CD2 4.24Å; S477-L480 PolarHBondContact O-N 2.94Å; V478-L480 VanDerWaalsContact C-N 3.31Å; V478-L480 PolarHBondContact O-N 3.45Å; L480-L483 PolarHBondContact O-N 3.08Å; L480-V484 WeakPolarHBondContact O-CG2 3.35Å; L480-V484 PolarHBondContact O-N 3.45Å; L480-V484 VanDerWaalsContact O-N 3.17Å; L480-V489 HydrophobicContact CD1-CG1 4.46Å
481	L	85	Confident	79.7	Confident	6 Å²	6	32.1 Å²	32.1	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-43.7	174.1	-179.6	61	0	0	0	111.2	V323 Y326 F329 F342 L473 V478 V484 A485	V323-L481 HydrophobicContact CG2-CD1 3.92Å; Y326-L481 HydrophobicContact CD1-CG 4.38Å; Y326-L481 HydrophobicContact CD2-CD2 3.52Å; Y326-L481 HydrophobicContact CD2-CG 3.89Å; Y326-L481 HydrophobicContact CE2-CD2 4.14Å; Y326-L481 HydrophobicContact CE2-CG 4.18Å; Y326-L481 HydrophobicContact CG-CD2 3.85Å; Y326-L481 HydrophobicContact CG-CG 4Å; F329-L481 HydrophobicContact CE2-CD1 3.73Å; F329-L481 HydrophobicContact CZ-CD1 4.03Å; F342-L481 HydrophobicContact CD2-CD1 3.99Å; F342-L481 HydrophobicContact CE2-CB 4.14Å; F342-L481 HydrophobicContact CE2-CD1 3.5Å; F342-L481 HydrophobicContact CE2-CG 4.44Å; F342-L481 HydrophobicContact CZ-CB 4.17Å; F342-L481 HydrophobicContact CZ-CD1 4.36Å; L473-L481 HydrophobicContact CD2-CB 4.08Å; L473-L481 HydrophobicContact CD2-CD1 4.36Å; L473-L481 HydrophobicContact CD2-CD2 4.19Å; L473-L481 HydrophobicContact CD2-CG 4.46Å; V478-L481 WeakPolarHBondContact O-CA 3.11Å; V478-L481 WeakPolarHBondContact O-CB 3.43Å; V478-L481 PolarHBondContact O-N 2.94Å; L481-V484 PolarHBondContact O-N 2.82Å; L481-A485 PolarHBondContact O-N 3.19Å
482	N	84.9	Confident	79.5	Confident	58 Å²	58	32.6 Å²	32.6	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-55.2	-53.4	171.9	-62.1	7	0	0	0	110.9	Y326 V478 V484 A485 D486	Y326-N482 WeakPolarHBondContact CE2-OD1 3.44Å; Y326-N482 VanDerWaalsContact CZ-OD1 3.31Å; Y326-N482 WeakPolarHBondContact OH-CA 3.49Å; Y326-N482 PolarHBondContact OH-OD1 2.92Å; V478-N482 WeakPolarHBondContact CG1-OD1 3.28Å; V478-N482 PolarHBondContact O-N 3.2Å; V478-N482 PolarHBondContact O-OD1 3.35Å; N482-V484 PolarHBondContact O-N 3.02Å; N482-A485 PolarHBondContact O-N 3.13Å; N482-D486 WeakPolarHBondContact O-CB 3.48Å; N482-D486 PolarHBondContact O-N 2.92Å
483	L	84.2	Confident	79.8	Confident	18 Å²	18	32.5 Å²	32.5	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-29.7	-176.7	-71.1	171	0	0	0	113.9	L234 G479 L480 L488 V489	L234-L483 HydrophobicContact CD1-CD1 3.83Å; G479-L483 WeakPolarHBondContact O-CG 3.5Å; G479-L483 PolarHBondContact O-N 2.77Å; L480-L483 PolarHBondContact O-N 3.08Å; L483-L488 HydrophobicContact CD2-CB 4.1Å; L483-L488 HydrophobicContact CD2-CD1 3.88Å; L483-L488 CarbonylContact O-C 3.58Å; L483-L488 WeakPolarHBondContact O-CA 3.5Å; L483-L488 WeakPolarHBondContact O-CB 3.49Å; L483-L488 PolarHBondContact O-N 3.45Å; L483-V489 HydrophobicContact CB-CB 4.35Å; L483-V489 HydrophobicContact CB-CG2 3.87Å; L483-V489 HydrophobicContact CD1-CG2 4.48Å; L483-V489 PolarHBondContact O-N 3.21Å
484	V	85.1	Confident	80.1	Confident	4 Å²	4	32 Å²	32	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-77.6	-39.8	173.3	177.7	0	0	0	0	111.6	F329 V340 F342 L480 L481 N482 G487 V489 C494	F329-V484 HydrophobicContact CE1-CG1 4.33Å; F329-V484 HydrophobicContact CZ-CG1 4.38Å; V340-V484 HydrophobicContact CB-CG1 4.02Å; F342-V484 HydrophobicContact CE2-CG2 4.36Å; F342-V484 HydrophobicContact CZ-CG2 4.28Å; L480-V484 WeakPolarHBondContact O-CG2 3.35Å; L480-V484 PolarHBondContact O-N 3.45Å; L480-V484 VanDerWaalsContact O-N 3.17Å; L481-V484 PolarHBondContact O-N 2.82Å; N482-V484 PolarHBondContact O-N 3.02Å; V484-G487 PolarHBondContact O-N 2.91Å; V484-G487 VanDerWaalsContact O-N 3.15Å; V484-V489 HydrophobicContact CG2-CB 4.08Å; V484-V489 HydrophobicContact CG2-CG1 4.05Å; V484-C494 HydrophobicContact CG2-CB 3.67Å
485	A	84	Confident	80.5	Confident	19 Å²	19	31.2 Å²	31.2	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-40.3	176.1	0	0	0	0	0	112.6	Y326 F329 L481 N482 G487	Y326-A485 HydrophobicContact CD1-CB 4.01Å; Y326-A485 HydrophobicContact CE1-CB 3.48Å; Y326-A485 VanDerWaalsContact CE1-CB 3.48Å; F329-A485 HydrophobicContact CD1-CB 3.97Å; F329-A485 HydrophobicContact CD2-CB 4.36Å; F329-A485 VanDerWaalsContact CE1-CA 3.46Å; F329-A485 HydrophobicContact CE1-CB 3.76Å; F329-A485 HydrophobicContact CE2-CB 4.15Å; F329-A485 HydrophobicContact CG-CB 4.26Å; F329-A485 HydrophobicContact CZ-CB 3.85Å; L481-A485 PolarHBondContact O-N 3.19Å; N482-A485 PolarHBondContact O-N 3.13Å; A485-G487 PolarHBondContact O-N 3.38Å; A485-G487 VanDerWaalsContact O-N 3.11Å
486	D	84	Confident	81.6	Confident	100 Å²	100	30.5 Å²	30.5	54%	0.535	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.3	174.6	-61.4	-27.2	0	0	0	113.2	N482 L488	N482-D486 WeakPolarHBondContact O-CB 3.48Å; N482-D486 PolarHBondContact O-N 2.92Å; D486-L488 HydrophobicContact CB-CB 4.38Å; D486-L488 HydrophobicContact CB-CD1 3.83Å; D486-L488 HydrophobicContact CB-CG 3.77Å; D486-L488 PolarHBondContact O-N 2.83Å
487	G	79.8	Confident	82.8	Confident	36 Å²	36	29.2 Å²	29.2	37%	0.371	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	9.7	-174.1	0	0	0	0	0	114.4	R245 V484 A485	R245-G487 PolarHBondContact NH1-O 2.95Å; R245-G487 PolarHBondContact NH2-O 2.89Å; V484-G487 PolarHBondContact O-N 2.91Å; V484-G487 VanDerWaalsContact O-N 3.15Å; A485-G487 PolarHBondContact O-N 3.38Å; A485-G487 VanDerWaalsContact O-N 3.11Å
488	L	81.1	Confident	84	Confident	84 Å²	84	25 Å²	25	44%	0.44	16%	0.158	S	C	.	.	S	Bend	trans	-79.3	-16	-179.3	-64.7	176.5	0	0	0	113.2	E238 L483 D486	E238-L488 WeakPolarHBondContact CG-O 3.38Å; L483-L488 HydrophobicContact CD2-CB 4.1Å; L483-L488 HydrophobicContact CD2-CD1 3.88Å; L483-L488 CarbonylContact O-C 3.58Å; L483-L488 WeakPolarHBondContact O-CA 3.5Å; L483-L488 WeakPolarHBondContact O-CB 3.49Å; L483-L488 PolarHBondContact O-N 3.45Å; D486-L488 HydrophobicContact CB-CB 4.38Å; D486-L488 HydrophobicContact CB-CD1 3.83Å; D486-L488 HydrophobicContact CB-CG 3.77Å; D486-L488 PolarHBondContact O-N 2.83Å
489	V	85.2	Confident	85.2	Confident	4 Å²	4	20.7 Å²	20.7	2%	0.024	13%	0.132	C	C	.	.	S	Bend	trans	-133.9	131.7	172.8	171.4	0	0	0	0	108.5	L234 L480 L483 V484 L493 C494	L234-V489 HydrophobicContact CD2-CG2 4.34Å; L480-V489 HydrophobicContact CD1-CG1 4.46Å; L483-V489 HydrophobicContact CB-CB 4.35Å; L483-V489 HydrophobicContact CB-CG2 3.87Å; L483-V489 HydrophobicContact CD1-CG2 4.48Å; L483-V489 PolarHBondContact O-N 3.21Å; V484-V489 HydrophobicContact CG2-CB 4.08Å; V484-V489 HydrophobicContact CG2-CG1 4.05Å; V489-L493 HydrophobicContact CG1-CB 4.15Å; V489-L493 HydrophobicContact CG1-CD2 4.27Å; V489-L493 HydrophobicContact CG1-CG 4.3Å; V489-C494 HydrophobicContact CG1-CB 3.87Å
490	S	84.6	Confident	85.9	Confident	16 Å²	16	19.3 Å²	19.3	11%	0.112	12%	0.117	C	C	.	.			trans	-73.1	148.5	175.9	71.5	0	0	0	0	110.7	L492 L493 C494	S490-L492 PolarHBondContact O-N 3.21Å; S490-L492 VanDerWaalsContact O-N 3.09Å; S490-L493 PolarHBondContact O-N 3.23Å; S490-L493 VanDerWaalsContact OG-CB 3.31Å; S490-L493 WeakPolarHBondContact OG-CB 3.49Å; S490-L493 PolarHBondContact OG-N 3.01Å; S490-C494 WeakPolarHBondContact O-CB 3.32Å; S490-C494 PolarHBondContact O-N 2.7Å
491	P	84.1	Confident	86.5	Confident	33 Å²	33	18.9 Å²	18.9	21%	0.214	12%	0.115	C	C	.	.	H	α-helix	trans	-53.2	-32.4	176.5	-31	37.8	0	0	0	113.9	V251 G341 H495	V251-P491 HydrophobicContact CG1-CB 3.57Å; V251-P491 HydrophobicContact CG2-CB 4.25Å; G341-P491 WeakPolarHBondContact CA-O 3.47Å; P491-H495 WeakPolarHBondContact O-CB 3.46Å; P491-H495 PolarHBondContact O-N 3.19Å
492	L	84.2	Confident	86.9	Confident	10 Å²	10	18.6 Å²	18.6	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-72.6	-40.3	177.1	-166.5	69.5	0	0	0	112.8	I249 L262 M265 S490 H495 L496	I249-L492 HydrophobicContact CB-CD2 4.06Å; I249-L492 HydrophobicContact CD1-CD2 3.53Å; I249-L492 HydrophobicContact CG1-CD2 4.38Å; I249-L492 HydrophobicContact CG2-CD1 3.89Å; I249-L492 HydrophobicContact CG2-CD2 3.6Å; I249-L492 HydrophobicContact CG2-CG 4.37Å; L262-L492 HydrophobicContact CD1-CD1 4.29Å; L262-L492 HydrophobicContact CD2-CD1 3.69Å; L262-L492 HydrophobicContact CD2-CG 3.85Å; L262-L492 HydrophobicContact CG-CD1 3.82Å; L262-L492 HydrophobicContact CG-CG 4.33Å; M265-L492 HydrophobicContact CE-CG 4.48Å; M265-L492 HydrophobicContact SD-CD2 3.49Å; M265-L492 WeakPolarHBondContact SD-CD2 3.46Å; M265-L492 HydrophobicContact SD-CG 3.93Å; S490-L492 PolarHBondContact O-N 3.21Å; S490-L492 VanDerWaalsContact O-N 3.09Å; L492-H495 PolarHBondContact O-N 2.74Å; L492-L496 WeakPolarHBondContact O-CB 3.26Å; L492-L496 PolarHBondContact O-N 3.25Å
493	L	88.3	Confident	87.3	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.1	-38.6	174.7	-175.4	66.5	0	0	0	111.1	A237 E238 T241 M265 I269 V489 S490 H495 L496 I497	A237-L493 HydrophobicContact CB-CD1 4.37Å; E238-L493 HydrophobicContact CB-CD2 3.94Å; T241-L493 HydrophobicContact CG2-CD1 4.42Å; M265-L493 HydrophobicContact CE-CB 3.68Å; M265-L493 HydrophobicContact CE-CD1 3.64Å; M265-L493 HydrophobicContact CE-CG 4.27Å; I269-L493 HydrophobicContact CD1-CD1 4.09Å; V489-L493 HydrophobicContact CG1-CB 4.15Å; V489-L493 HydrophobicContact CG1-CD2 4.27Å; V489-L493 HydrophobicContact CG1-CG 4.3Å; S490-L493 PolarHBondContact O-N 3.23Å; S490-L493 VanDerWaalsContact OG-CB 3.31Å; S490-L493 WeakPolarHBondContact OG-CB 3.49Å; S490-L493 PolarHBondContact OG-N 3.01Å; L493-H495 VanDerWaalsContact C-N 3.34Å; L493-L496 PolarHBondContact O-N 2.94Å; L493-I497 HydrophobicContact CD1-CD1 3.64Å; L493-I497 HydrophobicContact CD1-CG1 4.09Å; L493-I497 HydrophobicContact CD2-CD1 4.47Å; L493-I497 HydrophobicContact CG-CD1 3.85Å; L493-I497 HydrophobicContact CG-CG1 4.45Å; L493-I497 WeakPolarHBondContact O-CB 3.22Å; L493-I497 PolarHBondContact O-N 3.23Å
494	C	88.6	Confident	87.7	Confident	2 Å²	2	15 Å²	15	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-57.4	-47.3	170.6	-179.9	0	0	0	0	111	F342 V484 V489 S490 G498	F342-C494 WeakPolarHBondContact CE1-SG 3.45Å; F342-C494 WeakPolarHBondContact CZ-SG 3.42Å; V484-C494 HydrophobicContact CG2-CB 3.67Å; V489-C494 HydrophobicContact CG1-CB 3.87Å; S490-C494 WeakPolarHBondContact O-CB 3.32Å; S490-C494 PolarHBondContact O-N 2.7Å; C494-G498 PolarHBondContact O-N 3.36Å
495	H	87	Confident	87.9	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-52.3	175.7	-174.8	46.7	0	0	0	111.1	H470 P491 L492 L493 I497 G498 L499	H470-H495 AromaticContact NE2-CE1 3.97Å; H470-H495 AromaticContact NE2-ND1 3.81Å; P491-H495 WeakPolarHBondContact O-CB 3.46Å; P491-H495 PolarHBondContact O-N 3.19Å; L492-H495 PolarHBondContact O-N 2.74Å; L493-H495 VanDerWaalsContact C-N 3.34Å; H495-I497 PolarHBondContact O-N 3.49Å; H495-G498 WeakPolarHBondContact O-CA 3.42Å; H495-G498 PolarHBondContact O-N 2.99Å; H495-G498 VanDerWaalsContact O-N 3.16Å; H495-L499 WeakPolarHBondContact O-CG 3.44Å; H495-L499 PolarHBondContact O-N 3.17Å
496	L	89.8	Confident	88.1	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-49.5	-178.4	179.5	59.9	0	0	0	113.2	L262 M265 N266 I269 F295 L492 L493 G498 L499	L262-L496 HydrophobicContact CD2-CB 3.9Å; L262-L496 HydrophobicContact CD2-CD1 4.4Å; M265-L496 HydrophobicContact CB-CD2 3.62Å; M265-L496 HydrophobicContact CE-CD2 4.49Å; N266-L496 HydrophobicContact CB-CD1 4.08Å; N266-L496 HydrophobicContact CB-CD2 4.27Å; I269-L496 HydrophobicContact CD1-CD2 3.69Å; I269-L496 HydrophobicContact CD1-CG 4.2Å; I269-L496 HydrophobicContact CG1-CD2 4.36Å; F295-L496 HydrophobicContact CB-CD1 3.74Å; F295-L496 WeakPolarHBondContact CD1-O 3.19Å; F295-L496 HydrophobicContact CD2-CD1 4.41Å; F295-L496 HydrophobicContact CD2-CG 4.46Å; F295-L496 HydrophobicContact CG-CD1 4.08Å; F295-L496 HydrophobicContact CG-CG 4.4Å; L492-L496 WeakPolarHBondContact O-CB 3.26Å; L492-L496 PolarHBondContact O-N 3.25Å; L493-L496 PolarHBondContact O-N 2.94Å; L496-G498 PolarHBondContact O-N 3.43Å; L496-L499 WeakPolarHBondContact O-CB 3.21Å; L496-L499 PolarHBondContact O-N 3.02Å
497	I	89.6	Confident	88.2	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-73.6	-21.8	-179.1	-66.2	178.7	0	0	0	111.5	F233 L234 A237 I269 F295 A382 T383 L493 H495 L499	F233-I497 HydrophobicContact CE1-CD1 4.01Å; F233-I497 HydrophobicContact CE1-CG1 4.45Å; L234-I497 HydrophobicContact CD2-CB 4.4Å; L234-I497 HydrophobicContact CD2-CD1 3.81Å; L234-I497 HydrophobicContact CD2-CG2 3.87Å; A237-I497 HydrophobicContact CB-CD1 3.8Å; I269-I497 HydrophobicContact CD1-CD1 4.03Å; I269-I497 HydrophobicContact CD1-CG1 3.79Å; F295-I497 HydrophobicContact CE1-CB 4.47Å; F295-I497 HydrophobicContact CE1-CG1 4.44Å; F295-I497 HydrophobicContact CZ-CG1 4.12Å; A382-I497 HydrophobicContact CB-CG2 4.05Å; T383-I497 HydrophobicContact CG2-CG2 3.82Å; L493-I497 HydrophobicContact CD1-CD1 3.64Å; L493-I497 HydrophobicContact CD1-CG1 4.09Å; L493-I497 HydrophobicContact CD2-CD1 4.47Å; L493-I497 HydrophobicContact CG-CD1 3.85Å; L493-I497 HydrophobicContact CG-CG1 4.45Å; L493-I497 WeakPolarHBondContact O-CB 3.22Å; L493-I497 PolarHBondContact O-N 3.23Å; H495-I497 PolarHBondContact O-N 3.49Å; I497-L499 PolarHBondContact O-N 3.45Å
498	G	89.1	Confident	88.4	Confident	1 Å²	1	9.7 Å²	9.7	1%	0.01	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.6	169.1	0	0	0	0	0	114.8	W381 H470 C494 H495 L496	W381-G498 VanDerWaalsContact CZ3-O 3.27Å; W381-G498 WeakPolarHBondContact CZ3-O 3.49Å; H470-G498 PolarHBondContact CE1-O 3.41Å; C494-G498 PolarHBondContact O-N 3.36Å; H495-G498 WeakPolarHBondContact O-CA 3.42Å; H495-G498 PolarHBondContact O-N 2.99Å; H495-G498 VanDerWaalsContact O-N 3.16Å; L496-G498 PolarHBondContact O-N 3.43Å
499	L	91.3	Very high	88.6	Confident	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.04	C	C	.	.	S	Bend	trans	-90.3	158	-178	-64.2	166.5	0	0	0	112.5	F295 T296 P298 M347 W468 H495 L496 I497	F295-L499 WeakPolarHBondContact CD1-O 3.38Å; T296-L499 WeakPolarHBondContact O-CD1 3.3Å; P298-L499 HydrophobicContact CG-CD1 4.11Å; P298-L499 HydrophobicContact CG-CD2 4.02Å; M347-L499 HydrophobicContact CE-CD2 4.22Å; M347-L499 HydrophobicContact SD-CD2 3.53Å; M347-L499 VanDerWaalsContact SD-CD2 3.53Å; W468-L499 HydrophobicContact CZ2-CD2 4.11Å; H495-L499 WeakPolarHBondContact O-CG 3.44Å; H495-L499 PolarHBondContact O-N 3.17Å; L496-L499 WeakPolarHBondContact O-CB 3.21Å; L496-L499 PolarHBondContact O-N 3.02Å; I497-L499 PolarHBondContact O-N 3.45Å
500	P	92.3	Very high	88.6	Confident	2 Å²	2	7.2 Å²	7.2	1%	0.013	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140	176.5	-19.6	31.5	0	0	0	112.6	F295 T296 W381 P408 W468	F295-P500 CarbonylContact C-O 3.58Å; F295-P500 WeakPolarHBondContact CA-O 3.32Å; T296-P500 HydrophobicContact CG2-CB 4.19Å; T296-P500 HydrophobicContact CG2-CG 4.4Å; T296-P500 PolarHBondContact N-O 2.71Å; W381-P500 HydrophobicContact CE3-CG 4.5Å; W381-P500 HydrophobicContact CH2-CG 3.85Å; W381-P500 HydrophobicContact CZ3-CB 4.41Å; W381-P500 HydrophobicContact CZ3-CG 3.8Å; P408-P500 HydrophobicContact CG-CB 4.19Å; P408-P500 HydrophobicContact CG-CG 3.69Å; W468-P500 HydrophobicContact CD2-CG 4.37Å; W468-P500 HydrophobicContact CZ2-CG 4.11Å
501	L	94	Very high	88.7	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.4	159.1	-73.1	173.3	0	0	0	109.4	L275 I277 F295 L379 G380 A382 V403	L275-L501 HydrophobicContact CD1-CD1 4.38Å; L275-L501 HydrophobicContact CD1-CD2 3.89Å; I277-L501 HydrophobicContact CD1-CB 4.02Å; F295-L501 HydrophobicContact CD1-CD2 3.83Å; F295-L501 HydrophobicContact CD1-CG 4.25Å; F295-L501 HydrophobicContact CD2-CD2 3.82Å; F295-L501 HydrophobicContact CE1-CD2 3.79Å; F295-L501 HydrophobicContact CE1-CG 4.04Å; F295-L501 HydrophobicContact CE2-CD2 3.77Å; F295-L501 HydrophobicContact CG-CD2 3.85Å; F295-L501 HydrophobicContact CZ-CD2 3.77Å; F295-L501 HydrophobicContact CZ-CG 4.33Å; L379-L501 WeakPolarHBondContact CA-O 3.4Å; G380-L501 PolarHBondContact N-O 3.46Å; G380-L501 PolarHBondContact O-N 3.41Å; A382-L501 HydrophobicContact CB-CD1 4.13Å; A382-L501 HydrophobicContact CB-CG 4.5Å; V403-L501 HydrophobicContact CG1-CD1 4.1Å; V403-L501 HydrophobicContact CG2-CD1 3.89Å
502	V	94.4	Very high	89	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	177.2	-173.7	0	0	0	0	110.3	V293 Q294 T296 Y349 F351 L377 L379 L466	V293-V502 WeakPolarHBondContact CA-O 3.45Å; Q294-V502 PolarHBondContact O-N 2.89Å; T296-V502 HydrophobicContact CG2-CG2 3.5Å; T296-V502 VanDerWaalsContact CG2-CG2 3.5Å; Y349-V502 HydrophobicContact CD1-CG2 4.47Å; Y349-V502 HydrophobicContact CE1-CG2 4.26Å; F351-V502 HydrophobicContact CE1-CG1 3.97Å; F351-V502 HydrophobicContact CZ-CG1 3.92Å; L377-V502 HydrophobicContact CD1-CG1 3.9Å; L379-V502 HydrophobicContact CD2-CB 4.32Å; L379-V502 HydrophobicContact CD2-CG1 4.29Å; L379-V502 HydrophobicContact CD2-CG2 3.86Å; L466-V502 HydrophobicContact CD1-CG2 3.99Å
503	Q	92.7	Very high	89.3	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.4	168.9	175.7	174.5	-63.7	0	0	109.2	I277 L289 V293 R378 T505	I277-Q503 HydrophobicContact CB-CB 4.19Å; I277-Q503 HydrophobicContact CD1-CB 3.74Å; I277-Q503 HydrophobicContact CG1-CB 3.89Å; I277-Q503 PolarHBondContact O-NE2 2.82Å; L289-Q503 HydrophobicContact CD1-CG 3.85Å; V293-Q503 HydrophobicContact CG1-CB 4.42Å; V293-Q503 HydrophobicContact CG2-CB 3.89Å; V293-Q503 HydrophobicContact CG2-CG 3.89Å; R378-Q503 HydrophobicContact CB-CB 4.21Å; R378-Q503 PolarHBondContact N-O 3.03Å; R378-Q503 PolarHBondContact O-N 3.37Å; Q503-T505 HydrophobicContact CG-CG2 3.76Å
504	V	92.4	Very high	89.3	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.7	168	-173.4	0	0	0	0	108	L290 R291 F351 L353 V375 V376 L377	L290-V504 HydrophobicContact CD1-CG1 4.39Å; L290-V504 PolarHBondContact N-O 3.5Å; R291-V504 HydrophobicContact CG-CB 4.12Å; R291-V504 HydrophobicContact CG-CG2 4.3Å; F351-V504 HydrophobicContact CE2-CG2 4.07Å; F351-V504 HydrophobicContact CZ-CG2 3.99Å; L353-V504 HydrophobicContact CD1-CB 4.4Å; L353-V504 HydrophobicContact CD1-CG1 4.29Å; L353-V504 HydrophobicContact CD2-CG1 3.91Å; V375-V504 HydrophobicContact CG1-CG1 3.8Å; V376-V504 WeakPolarHBondContact O-CA 3.42Å; L377-V504 HydrophobicContact CD1-CG2 3.86Å
505	T	89.2	Confident	89.2	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.7	-173.8	44.2	0	0	0	0	111.3	P286 V288 L289 V376 Q503 D507 V559	P286-T505 HydrophobicContact CB-CG2 3.89Å; P286-T505 HydrophobicContact CG-CG2 4.39Å; V288-T505 CarbonylContact O-C 3.21Å; V288-T505 WeakPolarHBondContact O-CA 3.47Å; L289-T505 HydrophobicContact CD1-CG2 3.88Å; V376-T505 PolarHBondContact N-O 2.84Å; V376-T505 PolarHBondContact O-N 3.28Å; Q503-T505 HydrophobicContact CG-CG2 3.76Å; T505-D507 WeakPolarHBondContact CB-OD1 3.19Å; T505-D507 PolarHBondContact OG1-OD1 2.59Å; T505-V559 HydrophobicContact CG2-CG2 4.03Å
506	L	88.2	Confident	89.5	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.7	163	-179.8	64.3	0	0	0	106.9	V287 V288 L290 V359 L362 L363 W373 R374	V287-L506 PolarHBondContact N-O 3.41Å; V288-L506 HydrophobicContact CB-CB 4.16Å; V288-L506 HydrophobicContact CG2-CD2 4.4Å; V288-L506 PolarHBondContact N-O 3.44Å; V288-L506 PolarHBondContact O-N 2.98Å; L290-L506 HydrophobicContact CD1-CB 4.03Å; L290-L506 HydrophobicContact CD2-CB 4.09Å; L290-L506 HydrophobicContact CG-CB 4.07Å; V359-L506 HydrophobicContact CG1-CD1 3.96Å; V359-L506 HydrophobicContact CG1-CD2 4.17Å; V359-L506 HydrophobicContact CG2-CD2 4.45Å; L362-L506 HydrophobicContact CD1-CD2 3.86Å; L363-L506 HydrophobicContact CD2-CD1 3.79Å; L363-L506 HydrophobicContact CG-CD1 4.45Å; W373-L506 HydrophobicContact CB-CD1 4.15Å; W373-L506 HydrophobicContact CE3-CD1 4.13Å; W373-L506 HydrophobicContact CE3-CD2 4.12Å; W373-L506 HydrophobicContact CE3-CG 3.79Å; W373-L506 HydrophobicContact CZ3-CD2 4.39Å; W373-L506 HydrophobicContact CZ3-CG 4.26Å; R374-L506 WeakPolarHBondContact O-CA 3.42Å
507	D	86.9	Confident	89.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.5	-174.4	-64.1	27.8	0	0	0	110	R285 P286 W373 R374 V376 R378 T505	R285-D507 CarbonylContact O-C 3.45Å; R285-D507 WeakPolarHBondContact O-CA 3.21Å; P286-D507 WeakPolarHBondContact CA-OD1 3.33Å; P286-D507 WeakPolarHBondContact CD-OD2 3.44Å; P286-D507 WeakPolarHBondContact CG-OD2 3.48Å; W373-D507 CarbonylContact C-O 3.59Å; W373-D507 WeakPolarHBondContact CA-O 3.31Å; R374-D507 HydrophobicContact CB-CB 4.49Å; R374-D507 PolarHBondContact N-O 2.94Å; R374-D507 PolarHBondContact O-N 3.39Å; V376-D507 HydrophobicContact CG2-CB 3.72Å; V376-D507 VanDerWaalsContact CG2-CG 3.46Å; V376-D507 WeakPolarHBondContact CG2-OD2 3.25Å; R378-D507 IonicContact CZ-OD2 2.76Å; R378-D507 IonicContact NE-OD2 2.81Å; R378-D507 PolarHBondContact NE-OD2 2.68Å; R378-D507 IonicContact NH2-OD2 3.91Å; R378-D507 PolarHBondContact NH2-OD2 2.78Å; T505-D507 WeakPolarHBondContact CB-OD1 3.19Å; T505-D507 PolarHBondContact OG1-OD1 2.59Å
508	R	83.7	Confident	89.3	Confident	48 Å²	48	20.4 Å²	20.4	18%	0.181	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.1	160.9	-163.7	179.6	-168.1	-151.1	-2.2	108.3	R285 V287 E372 W373 Y510	R285-R508 PolarHBondContact N-O 3.2Å; R285-R508 PolarHBondContact O-N 3.48Å; V287-R508 HydrophobicContact CG2-CB 4.39Å; E372-R508 HydrophobicContact CB-CG 4.23Å; E372-R508 IonicContact OE1-CZ 3.81Å; E372-R508 IonicContact OE1-NE 2.67Å; E372-R508 IonicContact OE1-NH2 3.74Å; E372-R508 PolarHBondContact OE1-NH2 2.7Å; E372-R508 IonicContact OE2-CZ 2.69Å; E372-R508 IonicContact OE2-NE 3.79Å; E372-R508 PolarHBondContact OE2-NE 2.6Å; E372-R508 IonicContact OE2-NH2 2.67Å; E372-R508 PolarHBondContact OE2-NH2 3.05Å; W373-R508 HydrophobicContact CZ3-CB 4.29Å; R508-Y510 HydrophobicContact CB-CE2 4.25Å; R508-Y510 HydrophobicContact CG-CE2 4.46Å
509	A	85	Confident	89.3	Confident	24 Å²	24	20.5 Å²	20.5	20%	0.198	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.2	168.4	0	0	0	0	0	109.4	F283 L284 E372 R374	F283-A509 VanDerWaalsContact O-CA 3.32Å; F283-A509 WeakPolarHBondContact O-CA 3.5Å; L284-A509 HydrophobicContact CD2-CB 4.03Å; E372-A509 WeakPolarHBondContact O-CB 3.49Å; E372-A509 PolarHBondContact O-N 3.03Å; R374-A509 HydrophobicContact CG-CB 4.04Å
510	Y	84.5	Confident	89.1	Confident	12 Å²	12	23.6 Å²	23.6	5%	0.047	13%	0.129	C	C	.	.			trans	-109.2	141.3	177.8	-75.6	-82.4	0	0	0	110.9	F283 R285 R508 D514 F530	F283-Y510 PolarHBondContact O-N 2.87Å; R285-Y510 HydrophobicContact CB-CD2 4.15Å; R285-Y510 HydrophobicContact CB-CE2 3.64Å; R285-Y510 HydrophobicContact CG-CE2 4.39Å; R508-Y510 HydrophobicContact CB-CE2 4.25Å; R508-Y510 HydrophobicContact CG-CE2 4.46Å; Y510-D514 HydrophobicContact CD1-CB 3.62Å; Y510-D514 HydrophobicContact CE1-CB 4.46Å; Y510-D514 HydrophobicContact CG-CB 4.45Å; Y510-F530 HydrophobicContact CD1-CD2 4.02Å; Y510-F530 AromaticContact CD1-CE2 3.7Å; Y510-F530 HydrophobicContact CD1-CE2 3.7Å; Y510-F530 HydrophobicContact CD2-CD2 4.47Å; Y510-F530 AromaticContact CD2-CE2 3.59Å; Y510-F530 HydrophobicContact CD2-CE2 3.59Å; Y510-F530 HydrophobicContact CD2-CZ 4.16Å; Y510-F530 AromaticContact CE1-CD2 3.57Å; Y510-F530 HydrophobicContact CE1-CD2 3.57Å; Y510-F530 AromaticContact CE1-CE2 3.64Å; Y510-F530 HydrophobicContact CE1-CE2 3.64Å; Y510-F530 HydrophobicContact CE2-CD2 4.1Å; Y510-F530 AromaticContact CE2-CE2 3.56Å; Y510-F530 HydrophobicContact CE2-CE2 3.56Å; Y510-F530 HydrophobicContact CE2-CZ 4.16Å; Y510-F530 HydrophobicContact CG-CD2 4.41Å; Y510-F530 AromaticContact CG-CE2 3.65Å; Y510-F530 HydrophobicContact CG-CE2 3.65Å; Y510-F530 AromaticContact CZ-CD2 3.61Å; Y510-F530 AromaticContact CZ-CE2 3.56Å
511	S	87.3	Confident	88.6	Confident	46 Å²	46	26.8 Å²	26.8	32%	0.322	15%	0.146	S	C	.	.			trans	-80.2	166.5	172.4	74.8	0	0	0	0	111.5	S513 D514 L515	S511-S513 PolarHBondContact O-N 2.73Å; S511-S513 PolarHBondContact OG-N 2.83Å; S511-D514 WeakPolarHBondContact CA-OD2 3.44Å; S511-D514 VanDerWaalsContact CB-OD2 3.25Å; S511-D514 WeakPolarHBondContact CB-OD2 3.47Å; S511-D514 PolarHBondContact N-OD2 2.86Å; S511-D514 PolarHBondContact O-N 3.18Å; S511-D514 VanDerWaalsContact OG-CG 3.24Å; S511-D514 PolarHBondContact OG-N 3.16Å; S511-D514 VanDerWaalsContact OG-N 3.16Å; S511-D514 PolarHBondContact OG-OD2 3.17Å; S511-L515 WeakPolarHBondContact O-CG 3.24Å; S511-L515 PolarHBondContact O-N 3.01Å; S511-L515 VanDerWaalsContact O-N 3.16Å
512	V	90.8	Very high	88.1	Confident	14 Å²	14	33 Å²	33	9%	0.085	18%	0.179	C	C	.	.	H	α-helix	trans	-57.2	-35.1	170.1	176	0	0	0	0	111.4	F283 L515 R516 H639 L642 M646	F283-V512 HydrophobicContact CE1-CG2 4.23Å; V512-L515 PolarHBondContact O-N 3.47Å; V512-R516 WeakPolarHBondContact O-CB 3.4Å; V512-R516 PolarHBondContact O-N 2.85Å; V512-H639 WeakPolarHBondContact CG1-ND1 2.99Å; V512-L642 HydrophobicContact CG1-CB 3.76Å; V512-L642 HydrophobicContact CG1-CD1 4.37Å; V512-L642 HydrophobicContact CG2-CB 4.36Å; V512-M646 HydrophobicContact CG2-SD 3.95Å
513	S	90.5	Very high	87.5	Confident	62 Å²	62	36.3 Å²	36.3	43%	0.434	20%	0.197	S	C	.	.	H	α-helix	trans	-67.2	-41.9	178.4	-56	0	0	0	0	112.2	S511 L515 R516 N517	S511-S513 PolarHBondContact O-N 2.73Å; S511-S513 PolarHBondContact OG-N 2.83Å; S513-L515 VanDerWaalsContact C-N 3.34Å; S513-L515 PolarHBondContact O-N 3.06Å; S513-R516 PolarHBondContact O-N 3.28Å; S513-N517 PolarHBondContact O-N 3.4Å; S513-N517 PolarHBondContact O-ND2 3.11Å
514	D	87.4	Confident	86.4	Confident	60 Å²	60	40 Å²	40	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-40.5	177.3	-54.5	-60.4	0	0	0	111.7	Y510 S511 N517 T518	Y510-D514 HydrophobicContact CD1-CB 3.62Å; Y510-D514 HydrophobicContact CE1-CB 4.46Å; Y510-D514 HydrophobicContact CG-CB 4.45Å; S511-D514 WeakPolarHBondContact CA-OD2 3.44Å; S511-D514 VanDerWaalsContact CB-OD2 3.25Å; S511-D514 WeakPolarHBondContact CB-OD2 3.47Å; S511-D514 PolarHBondContact N-OD2 2.86Å; S511-D514 PolarHBondContact O-N 3.18Å; S511-D514 VanDerWaalsContact OG-CG 3.24Å; S511-D514 PolarHBondContact OG-N 3.16Å; S511-D514 VanDerWaalsContact OG-N 3.16Å; S511-D514 PolarHBondContact OG-OD2 3.17Å; D514-N517 WeakPolarHBondContact O-CB 3.24Å; D514-N517 PolarHBondContact O-N 3.02Å; D514-T518 PolarHBondContact O-N 2.95Å
515	L	88.1	Confident	85.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.5	-31.8	176.8	-65.1	-176.6	0	0	0	112.9	P282 F283 S511 V512 S513 N517 T518 F530 L642 F662	P282-L515 HydrophobicContact CB-CD1 3.82Å; P282-L515 HydrophobicContact CB-CD2 3.87Å; P282-L515 HydrophobicContact CG-CD1 3.65Å; F283-L515 HydrophobicContact CD1-CD1 3.56Å; F283-L515 HydrophobicContact CE1-CD1 3.51Å; F283-L515 HydrophobicContact CG-CD1 4.15Å; F283-L515 HydrophobicContact CZ-CD1 4.06Å; S511-L515 WeakPolarHBondContact O-CG 3.24Å; S511-L515 PolarHBondContact O-N 3.01Å; S511-L515 VanDerWaalsContact O-N 3.16Å; V512-L515 PolarHBondContact O-N 3.47Å; S513-L515 VanDerWaalsContact C-N 3.34Å; S513-L515 PolarHBondContact O-N 3.06Å; L515-N517 VanDerWaalsContact C-N 3.32Å; L515-T518 PolarHBondContact O-OG1 3.04Å; L515-F530 HydrophobicContact CD2-CD2 4.45Å; L515-F530 HydrophobicContact CD2-CE2 3.44Å; L515-F530 VanDerWaalsContact CD2-CE2 3.44Å; L515-F530 HydrophobicContact CD2-CZ 3.56Å; L515-L642 HydrophobicContact CB-CD1 3.76Å; L515-L642 HydrophobicContact CD1-CD2 4.49Å; L515-F662 HydrophobicContact CB-CE2 4.19Å; L515-F662 HydrophobicContact CB-CZ 4.19Å; L515-F662 HydrophobicContact CD2-CE1 4.47Å; L515-F662 HydrophobicContact CD2-CZ 3.94Å; L515-F662 HydrophobicContact CG-CZ 4.5Å
516	R	92	Very high	84.7	Confident	68 Å²	68	46.1 Å²	46.1	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-42.9	168	-177.2	-169.1	165.4	165.9	2.1	110.4	V512 S513 T518 F519 D622	V512-R516 WeakPolarHBondContact O-CB 3.4Å; V512-R516 PolarHBondContact O-N 2.85Å; S513-R516 PolarHBondContact O-N 3.28Å; R516-T518 PolarHBondContact O-N 2.98Å; R516-F519 PolarHBondContact O-N 3.28Å; R516-D622 IonicContact CZ-OD1 3.51Å; R516-D622 IonicContact CZ-OD2 3.4Å; R516-D622 IonicContact NH1-OD1 2.97Å; R516-D622 IonicContact NH1-OD2 3.86Å; R516-D622 PolarHBondContact NH1-OD2 3.37Å; R516-D622 IonicContact NH2-OD1 3.74Å; R516-D622 PolarHBondContact NH2-OD1 3.2Å; R516-D622 IonicContact NH2-OD2 2.7Å; R516-D622 PolarHBondContact NH2-OD2 2.95Å
517	N	88.8	Confident	83.8	Confident	86 Å²	86	48.4 Å²	48.4	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-22.6	-177.5	-70.4	-21.3	0	0	0	113.6	S513 D514 L515 F519 N520 A526	S513-N517 PolarHBondContact O-N 3.4Å; S513-N517 PolarHBondContact O-ND2 3.11Å; D514-N517 WeakPolarHBondContact O-CB 3.24Å; D514-N517 PolarHBondContact O-N 3.02Å; L515-N517 VanDerWaalsContact C-N 3.32Å; N517-F519 PolarHBondContact O-N 3.18Å; N517-N520 WeakPolarHBondContact O-CB 3.36Å; N517-N520 PolarHBondContact O-N 3.03Å; N517-A526 WeakPolarHBondContact O-CB 3.14Å
518	T	86.6	Confident	82.8	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20	174.2	69.9	0	0	0	0	113.6	D514 L515 R516 F530 F571	D514-T518 PolarHBondContact O-N 2.95Å; L515-T518 PolarHBondContact O-OG1 3.04Å; R516-T518 PolarHBondContact O-N 2.98Å; T518-F530 HydrophobicContact CG2-CB 3.61Å; T518-F530 HydrophobicContact CG2-CD1 4.13Å; T518-F530 HydrophobicContact CG2-CD2 3.64Å; T518-F530 HydrophobicContact CG2-CE2 4.33Å; T518-F530 HydrophobicContact CG2-CG 3.52Å; T518-F571 WeakPolarHBondContact O-CD1 3.35Å; T518-F571 WeakPolarHBondContact O-CE1 3.48Å
519	F	89.8	Confident	82	Confident	2 Å²	2	55 Å²	55	1%	0.009	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9.7	175.4	-71.5	-102.8	0	0	0	112.8	R516 N517 L521 P568 F571 L623 L638 F662 L665 V667	R516-F519 PolarHBondContact O-N 3.28Å; N517-F519 PolarHBondContact O-N 3.18Å; F519-L521 PolarHBondContact O-N 3.3Å; F519-L521 VanDerWaalsContact O-N 3.08Å; F519-P568 HydrophobicContact CE1-CG 4.14Å; F519-P568 HydrophobicContact CZ-CG 3.8Å; F519-F571 AromaticContact CD1-CD1 3.74Å; F519-F571 HydrophobicContact CD1-CD1 3.74Å; F519-F571 HydrophobicContact CD2-CD1 4.16Å; F519-F571 HydrophobicContact CD2-CE1 4.27Å; F519-F571 AromaticContact CE1-CD1 3.82Å; F519-F571 HydrophobicContact CE1-CD1 3.82Å; F519-F571 HydrophobicContact CE1-CE1 4.39Å; F519-F571 HydrophobicContact CE2-CD1 4.22Å; F519-F571 HydrophobicContact CE2-CE1 4.1Å; F519-F571 AromaticContact CG-CD1 3.92Å; F519-F571 HydrophobicContact CG-CD1 3.92Å; F519-F571 HydrophobicContact CG-CE1 4.47Å; F519-F571 HydrophobicContact CZ-CD1 4.06Å; F519-F571 HydrophobicContact CZ-CE1 4.17Å; F519-L623 HydrophobicContact CB-CD2 3.72Å; F519-L638 HydrophobicContact CB-CD2 3.85Å; F519-L638 HydrophobicContact CD1-CD2 4.32Å; F519-L638 HydrophobicContact CD2-CD2 3.49Å; F519-L638 VanDerWaalsContact CD2-CD2 3.49Å; F519-L638 HydrophobicContact CE2-CD2 4.11Å; F519-L638 HydrophobicContact CG-CD2 3.62Å; F519-F662 HydrophobicContact CE2-CD2 4.33Å; F519-F662 HydrophobicContact CE2-CE1 4.38Å; F519-F662 AromaticContact CE2-CE2 3.6Å; F519-F662 HydrophobicContact CE2-CE2 3.6Å; F519-F662 AromaticContact CE2-CZ 3.64Å; F519-F662 HydrophobicContact CE2-CZ 3.64Å; F519-F662 HydrophobicContact CZ-CE2 4.33Å; F519-F662 HydrophobicContact CZ-CZ 4.49Å; F519-L665 HydrophobicContact CE1-CB 4.09Å; F519-L665 HydrophobicContact CZ-CB 4.02Å; F519-V667 HydrophobicContact CB-CG2 3.98Å; F519-V667 HydrophobicContact CD1-CG2 3.91Å; F519-V667 HydrophobicContact CG-CG2 4.45Å
520	N	86.9	Confident	81.1	Confident	66 Å²	66	54.5 Å²	54.5	35%	0.353	29%	0.291	S	S	.	.			trans	-73.8	99.1	174.2	-174.1	-4.5	0	0	0	110.6	N517 D522 N523	N517-N520 WeakPolarHBondContact O-CB 3.36Å; N517-N520 PolarHBondContact O-N 3.03Å; N520-D522 PolarHBondContact O-N 3.04Å; N520-D522 WeakPolarHBondContact OD1-CB 3.48Å; N520-D522 PolarHBondContact OD1-N 3.26Å; N520-D522 VanDerWaalsContact OD1-N 3.07Å; N520-N523 CarbonylContact O-C 3.59Å; N520-N523 PolarHBondContact O-N 3.36Å
521	L	82.7	Confident	80.1	Confident	70 Å²	70	57.1 Å²	57.1	37%	0.366	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.5	179.8	-55.2	-178.9	0	0	0	112.8	F519 N523 F571 V667 E669	F519-L521 PolarHBondContact O-N 3.3Å; F519-L521 VanDerWaalsContact O-N 3.08Å; L521-N523 PolarHBondContact O-N 2.85Å; L521-F571 HydrophobicContact CD2-CB 4.26Å; L521-V667 HydrophobicContact CD1-CB 4.22Å; L521-V667 HydrophobicContact CD1-CG1 4.15Å; L521-V667 HydrophobicContact CD2-CG2 4.43Å; L521-V667 HydrophobicContact CG-CG2 4.46Å; L521-E669 HydrophobicContact CD1-CG 4.14Å
522	D	82.8	Confident	78.7	Confident	130 Å²	130	58.9 Å²	58.9	70%	0.695	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.7	177.7	-53.4	-42.5	0	0	0	112.1	N520	N520-D522 PolarHBondContact O-N 3.04Å; N520-D522 WeakPolarHBondContact OD1-CB 3.48Å; N520-D522 PolarHBondContact OD1-N 3.26Å; N520-D522 VanDerWaalsContact OD1-N 3.07Å
523	N	81.1	Confident	77.2	Confident	70 Å²	70	58.7 Å²	58.7	37%	0.374	31%	0.311	S	S	.	.			trans	-129.1	82.8	175	-172.8	-15.5	0	0	0	111.9	N520 L521 E525 A526	N520-N523 CarbonylContact O-C 3.59Å; N520-N523 PolarHBondContact O-N 3.36Å; L521-N523 PolarHBondContact O-N 2.85Å; N523-E525 PolarHBondContact O-N 2.99Å; N523-E525 WeakPolarHBondContact OD1-CA 3.48Å; N523-E525 PolarHBondContact OD1-N 3.47Å; N523-A526 HydrophobicContact CB-CB 4.2Å; N523-A526 WeakPolarHBondContact O-CB 3.49Å; N523-A526 PolarHBondContact O-N 2.83Å; N523-A526 PolarHBondContact OD1-N 3.31Å
524	P	71	Confident	75.4	Confident	77 Å²	77	57.9 Å²	57.9	50%	0.5	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	5.6	176.6	30.2	-36.8	0	0	0	114.3	H527 K528	P524-H527 PolarHBondContact O-CE1 3.34Å; P524-H527 PolarHBondContact O-ND1 3.16Å; P524-K528 WeakPolarHBondContact O-CE 3.46Å
525	E	72.2	Confident	73.8	Confident	110 Å²	110	61.9 Å²	61.9	51%	0.514	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-17.7	168.2	-53.9	-144.5	127.3	0	0	112.7	N523 H527 K528 N529	N523-E525 PolarHBondContact O-N 2.99Å; N523-E525 WeakPolarHBondContact OD1-CA 3.48Å; N523-E525 PolarHBondContact OD1-N 3.47Å; E525-H527 VanDerWaalsContact C-N 3.35Å; E525-H527 PolarHBondContact O-N 3.46Å; E525-K528 WeakPolarHBondContact O-CB 3.48Å; E525-K528 PolarHBondContact O-N 3.45Å; E525-K528 IonicContact OE1-NZ 2.71Å; E525-N529 WeakPolarHBondContact O-CB 3.47Å; E525-N529 VanDerWaalsContact O-CG 3.26Å; E525-N529 PolarHBondContact O-N 3.46Å; E525-N529 PolarHBondContact O-ND2 3.36Å
526	A	72.6	Confident	72.5	Confident	18 Å²	18	62.3 Å²	62.3	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-44.9	178.5	0	0	0	0	0	112.1	N517 N523 N529 F530	N517-A526 WeakPolarHBondContact O-CB 3.14Å; N523-A526 HydrophobicContact CB-CB 4.2Å; N523-A526 WeakPolarHBondContact O-CB 3.49Å; N523-A526 PolarHBondContact O-N 2.83Å; N523-A526 PolarHBondContact OD1-N 3.31Å; A526-N529 PolarHBondContact O-N 2.94Å; A526-F530 PolarHBondContact O-N 3.18Å
527	H	68.5	Low	70.8	Confident	49 Å²	49	63.7 Å²	63.7	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-68.9	-32.6	175.2	73.3	-98.3	0	0	0	112.5	P524 E525 F530 I531 F571	P524-H527 PolarHBondContact O-CE1 3.34Å; P524-H527 PolarHBondContact O-ND1 3.16Å; E525-H527 VanDerWaalsContact C-N 3.35Å; E525-H527 PolarHBondContact O-N 3.46Å; H527-F530 WeakPolarHBondContact O-CB 3.33Å; H527-F530 PolarHBondContact O-N 2.85Å; H527-I531 WeakPolarHBondContact O-CD1 3.31Å; H527-I531 VanDerWaalsContact O-CG1 3.24Å; H527-I531 WeakPolarHBondContact O-CG1 3.21Å; H527-I531 PolarHBondContact O-N 3.21Å; H527-F571 HydrophobicContact CB-CD2 4.44Å; H527-F571 HydrophobicContact CB-CE2 3.74Å; H527-F571 HydrophobicContact CB-CZ 3.78Å; H527-F571 AromaticContact CG-CE2 3.89Å
528	K	66.8	Low	69.2	Low	91 Å²	91	63.4 Å²	63.4	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-67.6	-41.1	175	-59.3	179	-168.2	163.3	0	111.7	P524 E525 F530 I531 N532	P524-K528 WeakPolarHBondContact O-CE 3.46Å; E525-K528 WeakPolarHBondContact O-CB 3.48Å; E525-K528 PolarHBondContact O-N 3.45Å; E525-K528 IonicContact OE1-NZ 2.71Å; K528-F530 VanDerWaalsContact C-N 3.28Å; K528-F530 PolarHBondContact O-N 2.88Å; K528-I531 WeakPolarHBondContact O-CB 3.34Å; K528-I531 PolarHBondContact O-N 2.66Å; K528-I531 VanDerWaalsContact O-N 3.16Å; K528-N532 WeakPolarHBondContact O-CB 3.37Å; K528-N532 VanDerWaalsContact O-CG 3.32Å; K528-N532 PolarHBondContact O-N 3.28Å; K528-N532 PolarHBondContact O-ND2 2.8Å
529	N	66.4	Low	67.7	Low	95 Å²	95	70.7 Å²	70.7	51%	0.508	37%	0.374	S	S	.	.	H	α-helix	trans	-69.2	-28.2	175.9	-66	-24.1	0	0	0	111.5	E525 A526 G533	E525-N529 WeakPolarHBondContact O-CB 3.47Å; E525-N529 VanDerWaalsContact O-CG 3.26Å; E525-N529 PolarHBondContact O-N 3.46Å; E525-N529 PolarHBondContact O-ND2 3.36Å; A526-N529 PolarHBondContact O-N 2.94Å; N529-G533 CarbonylContact O-C 3.6Å; N529-G533 VanDerWaalsContact O-CA 3.27Å; N529-G533 WeakPolarHBondContact O-CA 3.29Å; N529-G533 PolarHBondContact O-N 2.85Å; N529-G533 VanDerWaalsContact O-N 3.09Å
530	F	67.7	Low	66.1	Low	13 Å²	13	76.3 Å²	76.3	6%	0.057	40%	0.4	C	S	.	.	H	α-helix	trans	-71.6	-40.9	166.4	-173.4	-92.3	0	0	0	112.9	R285 Y510 L515 T518 A526 H527 K528 G533 L567	R285-F530 PolarHBondContact NE-O 3.06Å; R285-F530 PolarHBondContact NH1-O 2.84Å; Y510-F530 HydrophobicContact CD1-CD2 4.02Å; Y510-F530 AromaticContact CD1-CE2 3.7Å; Y510-F530 HydrophobicContact CD1-CE2 3.7Å; Y510-F530 HydrophobicContact CD2-CD2 4.47Å; Y510-F530 AromaticContact CD2-CE2 3.59Å; Y510-F530 HydrophobicContact CD2-CE2 3.59Å; Y510-F530 HydrophobicContact CD2-CZ 4.16Å; Y510-F530 AromaticContact CE1-CD2 3.57Å; Y510-F530 HydrophobicContact CE1-CD2 3.57Å; Y510-F530 AromaticContact CE1-CE2 3.64Å; Y510-F530 HydrophobicContact CE1-CE2 3.64Å; Y510-F530 HydrophobicContact CE2-CD2 4.1Å; Y510-F530 AromaticContact CE2-CE2 3.56Å; Y510-F530 HydrophobicContact CE2-CE2 3.56Å; Y510-F530 HydrophobicContact CE2-CZ 4.16Å; Y510-F530 HydrophobicContact CG-CD2 4.41Å; Y510-F530 AromaticContact CG-CE2 3.65Å; Y510-F530 HydrophobicContact CG-CE2 3.65Å; Y510-F530 AromaticContact CZ-CD2 3.61Å; Y510-F530 AromaticContact CZ-CE2 3.56Å; L515-F530 HydrophobicContact CD2-CD2 4.45Å; L515-F530 HydrophobicContact CD2-CE2 3.44Å; L515-F530 VanDerWaalsContact CD2-CE2 3.44Å; L515-F530 HydrophobicContact CD2-CZ 3.56Å; T518-F530 HydrophobicContact CG2-CB 3.61Å; T518-F530 HydrophobicContact CG2-CD1 4.13Å; T518-F530 HydrophobicContact CG2-CD2 3.64Å; T518-F530 HydrophobicContact CG2-CE2 4.33Å; T518-F530 HydrophobicContact CG2-CG 3.52Å; A526-F530 PolarHBondContact O-N 3.18Å; H527-F530 WeakPolarHBondContact O-CB 3.33Å; H527-F530 PolarHBondContact O-N 2.85Å; K528-F530 VanDerWaalsContact C-N 3.28Å; K528-F530 PolarHBondContact O-N 2.88Å; F530-G533 PolarHBondContact O-N 2.91Å; F530-L567 HydrophobicContact CD1-CD2 3.81Å; F530-L567 HydrophobicContact CE1-CD2 3.84Å
531	I	62.5	Low	64.8	Low	67 Å²	67	74 Å²	74	34%	0.344	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-53	177.1	-74.8	160.6	0	0	0	111.7	R285 H527 K528 G533 L567	R285-I531 VanDerWaalsContact CZ-O 3.32Å; R285-I531 PolarHBondContact NE-O 3.05Å; R285-I531 PolarHBondContact NH2-O 3.25Å; H527-I531 WeakPolarHBondContact O-CD1 3.31Å; H527-I531 VanDerWaalsContact O-CG1 3.24Å; H527-I531 WeakPolarHBondContact O-CG1 3.21Å; H527-I531 PolarHBondContact O-N 3.21Å; K528-I531 WeakPolarHBondContact O-CB 3.34Å; K528-I531 PolarHBondContact O-N 2.66Å; K528-I531 VanDerWaalsContact O-N 3.16Å; I531-G533 PolarHBondContact O-N 2.79Å; I531-L567 HydrophobicContact CD1-CD1 4.09Å; I531-L567 HydrophobicContact CG1-CD1 3.34Å
532	N	58.6	Low	63.4	Low	84 Å²	84	73.6 Å²	73.6	45%	0.449	39%	0.389	S	S	.	.	H	α-helix	trans	-69.4	-23.2	179.3	-62.9	-29	0	0	0	111.4	K528 F535	K528-N532 WeakPolarHBondContact O-CB 3.37Å; K528-N532 VanDerWaalsContact O-CG 3.32Å; K528-N532 PolarHBondContact O-N 3.28Å; K528-N532 PolarHBondContact O-ND2 2.8Å; N532-F535 HydrophobicContact CB-CE2 4.01Å; N532-F535 HydrophobicContact CB-CZ 4.42Å
533	G	58.6	Low	61.9	Low	9 Å²	9	69.7 Å²	69.7	9%	0.093	37%	0.372	C	S	.	.			trans	67.6	-177.1	-164.9	0	0	0	0	0	111.4	N529 F530 I531 F535	N529-G533 CarbonylContact O-C 3.6Å; N529-G533 VanDerWaalsContact O-CA 3.27Å; N529-G533 WeakPolarHBondContact O-CA 3.29Å; N529-G533 PolarHBondContact O-N 2.85Å; N529-G533 VanDerWaalsContact O-N 3.09Å; F530-G533 PolarHBondContact O-N 2.91Å; I531-G533 PolarHBondContact O-N 2.79Å; G533-F535 PolarHBondContact O-N 2.61Å
534	P	53.2	Low	60.7	Low	46 Å²	46	67 Å²	67	30%	0.299	36%	0.357	S	S	.	.	S	Bend	trans	-65	125.9	156.6	30.8	-30.6	0	0	0	107.4	L536	P534-L536 PolarHBondContact O-N 3.13Å
535	F	54.1	Low	59.7	Low	144 Å²	144	63.9 Å²	63.9	63%	0.632	34%	0.337	S	S	*	.			trans	-59.4	124.7	164.5	-79.6	-87.3	0	0	0	107.7	N532 G533 D537	N532-F535 HydrophobicContact CB-CE2 4.01Å; N532-F535 HydrophobicContact CB-CZ 4.42Å; G533-F535 PolarHBondContact O-N 2.61Å; F535-D537 PolarHBondContact O-N 3.27Å; F535-D537 VanDerWaalsContact O-N 3.08Å
536	L	60.2	Low	58.3	Low	8 Å²	8	62 Å²	62	4%	0.042	33%	0.332	C	S	.	.			trans	-65.4	108.5	163.6	-73.8	175.6	0	0	0	106.3	V287 V288 L362 W373 P534 P538 F541 L544 T545	V287-L536 HydrophobicContact CG1-CD1 3.96Å; V287-L536 HydrophobicContact CG1-CG 4.21Å; V288-L536 HydrophobicContact CG2-CD1 3.64Å; L362-L536 HydrophobicContact CD1-CD2 4.02Å; W373-L536 HydrophobicContact CH2-CD2 3.73Å; W373-L536 HydrophobicContact CH2-CG 4.3Å; W373-L536 HydrophobicContact CZ2-CD2 3.84Å; P534-L536 PolarHBondContact O-N 3.13Å; L536-P538 VanDerWaalsContact O-CD 3.24Å; L536-P538 WeakPolarHBondContact O-CD 3.4Å; L536-F541 HydrophobicContact CB-CB 4.15Å; L536-F541 HydrophobicContact CB-CD2 4.31Å; L536-F541 HydrophobicContact CB-CG 4.43Å; L536-F541 HydrophobicContact CD2-CD2 4.09Å; L536-F541 HydrophobicContact CD2-CE2 4.46Å; L536-F541 HydrophobicContact CD2-CG 4.32Å; L536-L544 HydrophobicContact CD1-CB 4.36Å; L536-L544 HydrophobicContact CD1-CD1 4.34Å; L536-T545 HydrophobicContact CB-CG2 4.39Å
537	D	55.6	Low	56.9	Low	98 Å²	98	63.5 Å²	63.5	52%	0.524	34%	0.338	S	S	.	.			trans	-50.3	115.8	-176.9	-88.6	-50.3	0	0	0	110.2	F535 I539 E540 F541	F535-D537 PolarHBondContact O-N 3.27Å; F535-D537 VanDerWaalsContact O-N 3.08Å; D537-I539 PolarHBondContact O-N 3.23Å; D537-E540 HydrophobicContact CB-CB 4.29Å; D537-E540 HydrophobicContact CB-CG 4.44Å; D537-E540 PolarHBondContact O-N 2.9Å; D537-F541 PolarHBondContact O-N 2.84Å
538	P	56	Low	55.5	Low	79 Å²	79	65.8 Å²	65.8	51%	0.513	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14	-176	-25.7	35.7	0	0	0	113.7	L536 P542	L536-P538 VanDerWaalsContact O-CD 3.24Å; L536-P538 WeakPolarHBondContact O-CD 3.4Å; P538-P542 WeakPolarHBondContact O-CA 3.25Å; P538-P542 WeakPolarHBondContact O-CB 3.24Å; P538-P542 VanDerWaalsContact O-CD 3.31Å; P538-P542 WeakPolarHBondContact O-CD 3.37Å
539	I	53.8	Low	54.3	Low	159 Å²	159	66.4 Å²	66.4	82%	0.815	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-43.9	174.5	-55.2	175.7	0	0	0	111.1	D537 P542	D537-I539 PolarHBondContact O-N 3.23Å; I539-P542 WeakPolarHBondContact O-CD 3.46Å
540	E	56.9	Low	52.8	Low	119 Å²	119	64.8 Å²	64.8	56%	0.556	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.6	176	-72.4	-144.4	145.4	0	0	112.8	Q358 D537	Q358-E540 PolarHBondContact NE2-O 3.1Å; D537-E540 HydrophobicContact CB-CB 4.29Å; D537-E540 HydrophobicContact CB-CG 4.44Å; D537-E540 PolarHBondContact O-N 2.9Å
541	F	59.8	Low	51.6	Low	18 Å²	18	67.7 Å²	67.7	8%	0.079	40%	0.401	C	S	.	.			trans	-122.4	39.6	-168.8	-61.4	-71.8	0	0	0	115.7	Q358 L362 L536 D537 S543 L544 T545	Q358-F541 HydrophobicContact CB-CD1 4.11Å; Q358-F541 HydrophobicContact CG-CD1 4.41Å; Q358-F541 PolarHBondContact OE1-O 3.2Å; L362-F541 HydrophobicContact CD1-CD1 4.25Å; L362-F541 HydrophobicContact CD1-CE1 3.98Å; L362-F541 HydrophobicContact CD2-CE1 3.7Å; L362-F541 HydrophobicContact CD2-CE2 4.3Å; L362-F541 HydrophobicContact CD2-CZ 3.52Å; L362-F541 HydrophobicContact CG-CD1 4.48Å; L362-F541 HydrophobicContact CG-CE1 3.73Å; L362-F541 HydrophobicContact CG-CZ 4.1Å; L536-F541 HydrophobicContact CB-CB 4.15Å; L536-F541 HydrophobicContact CB-CD2 4.31Å; L536-F541 HydrophobicContact CB-CG 4.43Å; L536-F541 HydrophobicContact CD2-CD2 4.09Å; L536-F541 HydrophobicContact CD2-CE2 4.46Å; L536-F541 HydrophobicContact CD2-CG 4.32Å; D537-F541 PolarHBondContact O-N 2.84Å; F541-S543 PolarHBondContact O-N 3.37Å; F541-L544 HydrophobicContact CB-CB 4.41Å; F541-L544 HydrophobicContact CD1-CD1 4.03Å; F541-L544 PolarHBondContact O-N 3.04Å; F541-L544 VanDerWaalsContact O-N 3.11Å; F541-T545 PolarHBondContact O-N 3.45Å; F541-T545 PolarHBondContact O-OG1 3.41Å
542	P	53.1	Low	50.8	Low	62 Å²	62	65 Å²	65	40%	0.403	39%	0.39	S	S	.	.	H	α-helix	trans	-55.6	-42.7	-170.5	16.8	-31	0	0	0	114.6	P538 I539 L544 T545 V546	P538-P542 WeakPolarHBondContact O-CA 3.25Å; P538-P542 WeakPolarHBondContact O-CB 3.24Å; P538-P542 VanDerWaalsContact O-CD 3.31Å; P538-P542 WeakPolarHBondContact O-CD 3.37Å; I539-P542 WeakPolarHBondContact O-CD 3.46Å; P542-L544 PolarHBondContact O-N 2.9Å; P542-T545 WeakPolarHBondContact CA-OG1 3.15Å; P542-T545 CarbonylContact O-C 3.59Å; P542-T545 WeakPolarHBondContact O-CA 3.23Å; P542-T545 PolarHBondContact O-N 3.4Å; P542-T545 PolarHBondContact O-OG1 3.26Å; P542-V546 PolarHBondContact O-N 2.77Å
543	S	52.1	Low	50	Low	48 Å²	48	64.1 Å²	64.1	34%	0.336	39%	0.388	S	S	.	.	H	α-helix	trans	-73.8	-24.2	-178.1	57.7	0	0	0	0	114	E356 Q358 F541 T545 V546	E356-S543 VanDerWaalsContact OE2-CB 3.24Å; E356-S543 WeakPolarHBondContact OE2-CB 3.48Å; E356-S543 PolarHBondContact OE2-OG 3.45Å; Q358-S543 PolarHBondContact NE2-OG 3.48Å; Q358-S543 PolarHBondContact OE1-OG 2.89Å; Q358-S543 VanDerWaalsContact OE1-OG 3.12Å; F541-S543 PolarHBondContact O-N 3.37Å; S543-T545 PolarHBondContact O-N 2.86Å; S543-V546 VanDerWaalsContact O-O 3.1Å
544	L	54.9	Low	49.2	Very low	12 Å²	12	65.3 Å²	65.3	6%	0.063	39%	0.392	C	S	.	.	H	α-helix	trans	-75.3	-13.7	167.2	-60.8	-178.7	0	0	0	112.9	V288 E356 Q358 V359 L362 L536 F541 P542	V288-L544 HydrophobicContact CG2-CB 4.43Å; E356-L544 HydrophobicContact CB-CD2 4.34Å; E356-L544 HydrophobicContact CG-CD2 4.18Å; E356-L544 WeakPolarHBondContact OE2-CD2 3.21Å; Q358-L544 HydrophobicContact CB-CD1 3.79Å; Q358-L544 HydrophobicContact CB-CD2 4.48Å; Q358-L544 HydrophobicContact CB-CG 3.88Å; V359-L544 HydrophobicContact CG2-CD1 4.26Å; V359-L544 HydrophobicContact CG2-CD2 3.53Å; L362-L544 HydrophobicContact CD1-CD1 3.86Å; L536-L544 HydrophobicContact CD1-CB 4.36Å; L536-L544 HydrophobicContact CD1-CD1 4.34Å; F541-L544 HydrophobicContact CB-CB 4.41Å; F541-L544 HydrophobicContact CD1-CD1 4.03Å; F541-L544 PolarHBondContact O-N 3.04Å; F541-L544 VanDerWaalsContact O-N 3.11Å; P542-L544 PolarHBondContact O-N 2.9Å
545	T	49.8	Very low	48.8	Very low	12 Å²	12	71.2 Å²	71.2	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-109.8	-4.3	180	66.1	0	0	0	0	114.7	L536 F541 P542 S543 T553 L554	L536-T545 HydrophobicContact CB-CG2 4.39Å; F541-T545 PolarHBondContact O-N 3.45Å; F541-T545 PolarHBondContact O-OG1 3.41Å; P542-T545 WeakPolarHBondContact CA-OG1 3.15Å; P542-T545 CarbonylContact O-C 3.59Å; P542-T545 WeakPolarHBondContact O-CA 3.23Å; P542-T545 PolarHBondContact O-N 3.4Å; P542-T545 PolarHBondContact O-OG1 3.26Å; S543-T545 PolarHBondContact O-N 2.86Å; T545-T553 CarbonylContact O-C 3.24Å; T545-T553 VanDerWaalsContact O-C 3.24Å; T545-T553 WeakPolarHBondContact O-CA 3.5Å; T545-L554 HydrophobicContact CG2-CB 4.44Å; T545-L554 HydrophobicContact CG2-CD2 4.39Å; T545-L554 PolarHBondContact O-N 3.33Å
546	V	42.2	Very low	48.3	Very low	70 Å²	70	67.9 Å²	67.9	42%	0.424	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-148.6	126.9	-180	-176.3	0	0	0	0	109.9	P542 S543 G552	P542-V546 PolarHBondContact O-N 2.77Å; S543-V546 VanDerWaalsContact O-O 3.1Å; V546-G552 WeakPolarHBondContact CA-O 3.41Å
547	N	43.3	Very low	47.6	Very low	50 Å²	50	69.5 Å²	69.5	27%	0.267	41%	0.409	S	S	.	.			trans	-63.8	148.5	-178.1	-70.3	-4	0	0	0	113.4	D549 G550 S551 G552 H557	N547-D549 WeakPolarHBondContact CB-OD1 3.5Å; N547-D549 PolarHBondContact O-N 3.27Å; N547-D549 VanDerWaalsContact O-N 3.14Å; N547-G550 PolarHBondContact O-N 2.76Å; N547-S551 PolarHBondContact ND2-OG 3.46Å; N547-G552 PolarHBondContact N-O 3.43Å; N547-H557 PolarHBondContact ND2-CD2 3.28Å; N547-H557 PolarHBondContact ND2-NE2 3.3Å; N547-H557 PolarHBondContact OD1-CD2 2.99Å
548	A	38.9	Very low	47.4	Very low	97 Å²	97	65 Å²	65	80%	0.802	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.4	173.7	0	0	0	0	0	115.2
549	D	41.4	Very low	47.5	Very low	105 Å²	105	61.7 Å²	61.7	56%	0.561	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	0.9	172.3	66.5	4.8	0	0	0	113.2	N547 S551	N547-D549 WeakPolarHBondContact CB-OD1 3.5Å; N547-D549 PolarHBondContact O-N 3.27Å; N547-D549 VanDerWaalsContact O-N 3.14Å; D549-S551 VanDerWaalsContact CG-OG 3.23Å; D549-S551 PolarHBondContact O-N 3.24Å; D549-S551 VanDerWaalsContact OD1-CB 3.26Å; D549-S551 WeakPolarHBondContact OD1-CB 3.43Å; D549-S551 PolarHBondContact OD1-N 3.18Å; D549-S551 PolarHBondContact OD1-OG 2.69Å; D549-S551 PolarHBondContact OD2-OG 2.78Å
550	G	36.8	Very low	47.6	Very low	61 Å²	61	59.7 Å²	59.7	63%	0.629	35%	0.349	S	S	*	.	S	Bend	trans	71.1	8.4	-178.8	0	0	0	0	0	115.6	N547 G552	N547-G550 PolarHBondContact O-N 2.76Å; G550-G552 VanDerWaalsContact C-N 3.3Å; G550-G552 PolarHBondContact O-N 2.67Å
551	S	42	Very low	47.6	Very low	73 Å²	73	54.2 Å²	54.2	51%	0.51	32%	0.324	S	S	.	.	S	Bend	trans	-76.3	-7.7	-172.2	60	0	0	0	0	115.8	N547 D549	N547-S551 PolarHBondContact ND2-OG 3.46Å; D549-S551 VanDerWaalsContact CG-OG 3.23Å; D549-S551 PolarHBondContact O-N 3.24Å; D549-S551 VanDerWaalsContact OD1-CB 3.26Å; D549-S551 WeakPolarHBondContact OD1-CB 3.43Å; D549-S551 PolarHBondContact OD1-N 3.18Å; D549-S551 PolarHBondContact OD1-OG 2.69Å; D549-S551 PolarHBondContact OD2-OG 2.78Å
552	G	44.2	Very low	47.7	Very low	12 Å²	12	53.4 Å²	53.4	12%	0.124	32%	0.321	C	S	.	.			trans	-179.3	165.7	178.2	0	0	0	0	0	115	V546 N547 G550	V546-G552 WeakPolarHBondContact CA-O 3.41Å; N547-G552 PolarHBondContact N-O 3.43Å; G550-G552 VanDerWaalsContact C-N 3.3Å; G550-G552 PolarHBondContact O-N 2.67Å
553	T	42.2	Very low	48.3	Very low	65 Å²	65	50.8 Å²	50.8	40%	0.399	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-90.2	179.9	167.9	67.6	0	0	0	0	111	T545 K555 D556 H557	T545-T553 CarbonylContact O-C 3.24Å; T545-T553 VanDerWaalsContact O-C 3.24Å; T545-T553 WeakPolarHBondContact O-CA 3.5Å; T553-K555 PolarHBondContact O-N 3.3Å; T553-K555 WeakPolarHBondContact OG1-CB 3.18Å; T553-K555 PolarHBondContact OG1-N 2.91Å; T553-D556 WeakPolarHBondContact CA-OD2 3.3Å; T553-D556 PolarHBondContact N-OD2 3.48Å; T553-D556 PolarHBondContact O-N 3.32Å; T553-D556 PolarHBondContact OG1-OD2 3.16Å; T553-H557 PolarHBondContact O-N 3.25Å
554	L	42.7	Very low	48.9	Very low	34 Å²	34	50.9 Å²	50.9	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-53.9	-27.6	171.1	-168.4	68	0	0	0	112.3	V288 T545 D556 G558 F560	V288-L554 HydrophobicContact CG2-CD1 4.43Å; T545-L554 HydrophobicContact CG2-CB 4.44Å; T545-L554 HydrophobicContact CG2-CD2 4.39Å; T545-L554 PolarHBondContact O-N 3.33Å; L554-D556 PolarHBondContact O-N 2.98Å; L554-G558 WeakPolarHBondContact O-CA 3.39Å; L554-G558 PolarHBondContact O-N 3.16Å; L554-F560 WeakPolarHBondContact O-CE2 3.47Å
555	K	44.2	Very low	49.3	Very low	170 Å²	170	51.6 Å²	51.6	74%	0.739	30%	0.304	S	S	*	.	H	α-helix	trans	-65	-27.3	176.4	-63	-175	177.4	-178.6	0	113.2	T553	T553-K555 PolarHBondContact O-N 3.3Å; T553-K555 WeakPolarHBondContact OG1-CB 3.18Å; T553-K555 PolarHBondContact OG1-N 2.91Å
556	D	43.8	Very low	50.1	Low	73 Å²	73	51.3 Å²	51.3	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-93.8	-26.9	-171.5	-51.2	-72.8	0	0	0	112	T553 L554	T553-D556 WeakPolarHBondContact CA-OD2 3.3Å; T553-D556 PolarHBondContact N-OD2 3.48Å; T553-D556 PolarHBondContact O-N 3.32Å; T553-D556 PolarHBondContact OG1-OD2 3.16Å; L554-D556 PolarHBondContact O-N 2.98Å
557	H	45.4	Very low	51.6	Low	43 Å²	43	48.6 Å²	48.6	20%	0.199	29%	0.285	C	S	.	.	H	α-helix	trans	-121	-7.4	179.9	-65.3	-68.7	0	0	0	115.8	N547 T553	N547-H557 PolarHBondContact ND2-CD2 3.28Å; N547-H557 PolarHBondContact ND2-NE2 3.3Å; N547-H557 PolarHBondContact OD1-CD2 2.99Å; T553-H557 PolarHBondContact O-N 3.25Å
558	G	51.9	Low	53.1	Low	2 Å²	2	46.5 Å²	46.5	2%	0.021	27%	0.274	C	S	.	.	S	Bend	trans	-55.1	160.7	175.5	0	0	0	0	0	112.5	R400 L554 F560	R400-G558 PolarHBondContact NH1-O 3.42Å; R400-G558 VanDerWaalsContact NH1-O 3.16Å; R400-G558 PolarHBondContact NH2-O 3.49Å; L554-G558 WeakPolarHBondContact O-CA 3.39Å; L554-G558 PolarHBondContact O-N 3.16Å; G558-F560 PolarHBondContact O-N 3.39Å; G558-F560 VanDerWaalsContact O-N 3.13Å
559	V	58.7	Low	54.7	Low	11 Å²	11	43.8 Å²	43.8	7%	0.067	25%	0.249	C	C	.	.			trans	-89.3	35.4	-176.6	-152.1	0	0	0	0	111.5	P286 L289 T505 A562	P286-V559 HydrophobicContact CB-CB 3.71Å; P286-V559 HydrophobicContact CB-CG1 3.73Å; P286-V559 HydrophobicContact CB-CG2 3.73Å; P286-V559 HydrophobicContact CG-CG1 4.39Å; L289-V559 HydrophobicContact CB-CG2 4.25Å; T505-V559 HydrophobicContact CG2-CG2 4.03Å; V559-A562 HydrophobicContact CG1-CB 3.81Å; V559-A562 WeakPolarHBondContact O-CB 3.25Å; V559-A562 PolarHBondContact O-N 3.02Å
560	F	56.1	Low	56.7	Low	116 Å²	116	41.8 Å²	41.8	51%	0.509	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	148.8	175.6	-68.2	-77.3	0	0	0	111.7	L554 G558 A562	L554-F560 WeakPolarHBondContact O-CE2 3.47Å; G558-F560 PolarHBondContact O-N 3.39Å; G558-F560 VanDerWaalsContact O-N 3.13Å; F560-A562 PolarHBondContact O-N 3.2Å; F560-A562 VanDerWaalsContact O-N 3.14Å
561	G	56.5	Low	59.1	Low	4 Å²	4	40.3 Å²	40.3	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-27	-176.6	0	0	0	0	0	114.4	Y387 Y563 D564	Y387-G561 WeakPolarHBondContact CE1-O 3.32Å; G561-Y563 VanDerWaalsContact C-N 3.26Å; G561-Y563 PolarHBondContact O-N 3.25Å; G561-D564 VanDerWaalsContact CA-CG 3.41Å; G561-D564 VanDerWaalsContact CA-OD1 3.23Å; G561-D564 WeakPolarHBondContact CA-OD1 3.46Å; G561-D564 WeakPolarHBondContact CA-OD2 3.33Å; G561-D564 PolarHBondContact N-OD1 3.39Å; G561-D564 PolarHBondContact O-N 3.37Å
562	A	60.3	Low	61.4	Low	1 Å²	1	37.9 Å²	37.9	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.1	-170	0	0	0	0	0	114.4	Y278 L402 V559 F560	Y278-A562 WeakPolarHBondContact CB-O 3.18Å; L402-A562 HydrophobicContact CD2-CB 4.37Å; V559-A562 HydrophobicContact CG1-CB 3.81Å; V559-A562 WeakPolarHBondContact O-CB 3.25Å; V559-A562 PolarHBondContact O-N 3.02Å; F560-A562 PolarHBondContact O-N 3.2Å; F560-A562 VanDerWaalsContact O-N 3.14Å
563	Y	66.6	Low	63.7	Low	7 Å²	7	38.2 Å²	38.2	3%	0.027	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	4.2	-178.2	-71.1	-94.5	0	0	0	113.2	S279 S281 P286 R378 G561 N565 C566 L567	S279-Y563 WeakPolarHBondContact CB-OH 3.47Å; S279-Y563 PolarHBondContact N-OH 3.24Å; S279-Y563 VanDerWaalsContact N-OH 3.16Å; S281-Y563 WeakPolarHBondContact O-CE1 3.48Å; P286-Y563 HydrophobicContact CG-CD2 4.47Å; P286-Y563 HydrophobicContact CG-CE2 3.64Å; R378-Y563 PolarHBondContact NH1-OH 3.12Å; R378-Y563 PolarHBondContact NH2-OH 2.94Å; R378-Y563 VanDerWaalsContact NH2-OH 3.07Å; G561-Y563 VanDerWaalsContact C-N 3.26Å; G561-Y563 PolarHBondContact O-N 3.25Å; Y563-N565 PolarHBondContact O-N 2.76Å; Y563-C566 HydrophobicContact CD1-CB 4.19Å; Y563-C566 VanDerWaalsContact CD1-SG 3.51Å; Y563-C566 VanDerWaalsContact O-CB 3.32Å; Y563-C566 WeakPolarHBondContact O-CB 3.38Å; Y563-C566 PolarHBondContact O-N 2.81Å; Y563-L567 PolarHBondContact O-N 3.43Å
564	D	64.8	Low	66	Low	51 Å²	51	37.6 Å²	37.6	27%	0.273	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-64.6	-30.8	175.7	-54.5	28.5	0	0	0	110.2	G561	G561-D564 VanDerWaalsContact CA-CG 3.41Å; G561-D564 VanDerWaalsContact CA-OD1 3.23Å; G561-D564 WeakPolarHBondContact CA-OD1 3.46Å; G561-D564 WeakPolarHBondContact CA-OD2 3.33Å; G561-D564 PolarHBondContact N-OD1 3.39Å; G561-D564 PolarHBondContact O-N 3.37Å
565	N	64.1	Low	68.4	Low	27 Å²	27	37.2 Å²	37.2	14%	0.144	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-75.8	-16.1	169.7	-97.9	7.9	0	0	0	115.1	T225 Y278 Y387 Y563 L567 R663	T225-N565 WeakPolarHBondContact CG2-OD1 3.37Å; Y278-N565 HydrophobicContact CE2-CB 4.41Å; Y387-N565 HydrophobicContact CD1-CB 4.36Å; Y387-N565 WeakPolarHBondContact CD1-ND2 3.34Å; Y387-N565 WeakPolarHBondContact CD2-ND2 3.36Å; Y387-N565 HydrophobicContact CE1-CB 3.95Å; Y387-N565 VanDerWaalsContact CE1-CG 3.44Å; Y387-N565 WeakPolarHBondContact CE1-ND2 3.35Å; Y387-N565 WeakPolarHBondContact CE2-ND2 3.35Å; Y387-N565 WeakPolarHBondContact CE2-OD1 3.31Å; Y387-N565 PolarHBondContact OH-OD1 2.85Å; Y563-N565 PolarHBondContact O-N 2.76Å; N565-L567 VanDerWaalsContact C-N 3.33Å; N565-R663 WeakPolarHBondContact O-CB 3.37Å; N565-R663 WeakPolarHBondContact O-CD 3.4Å
566	C	66.7	Low	70.6	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.041	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-84	-14.9	175.5	-64.9	0	0	0	0	112.1	S279 Y563 F662 R663	S279-C566 PolarHBondContact O-SG 2.86Å; Y563-C566 HydrophobicContact CD1-CB 4.19Å; Y563-C566 VanDerWaalsContact CD1-SG 3.51Å; Y563-C566 VanDerWaalsContact O-CB 3.32Å; Y563-C566 WeakPolarHBondContact O-CB 3.38Å; Y563-C566 PolarHBondContact O-N 2.81Å; C566-F662 WeakPolarHBondContact O-CD1 3.45Å; C566-R663 WeakPolarHBondContact O-CA 3.34Å; C566-R663 WeakPolarHBondContact O-CB 3.46Å; C566-R663 PolarHBondContact O-N 3.36Å
567	L	72.4	Confident	72.8	Confident	12 Å²	12	36 Å²	36	6%	0.063	20%	0.199	C	C	.	.	S	Bend	trans	-96.3	138.5	-172.5	-71.5	166.1	0	0	0	111.6	F530 I531 Y563 N565 F571 F662	F530-L567 HydrophobicContact CD1-CD2 3.81Å; F530-L567 HydrophobicContact CE1-CD2 3.84Å; I531-L567 HydrophobicContact CD1-CD1 4.09Å; I531-L567 HydrophobicContact CG1-CD1 3.34Å; Y563-L567 PolarHBondContact O-N 3.43Å; N565-L567 VanDerWaalsContact C-N 3.33Å; L567-F571 HydrophobicContact CD2-CZ 4.15Å; L567-F662 HydrophobicContact CD2-CE1 4.4Å
568	P	75.8	Confident	74.9	Confident	6 Å²	6	34.1 Å²	34.1	4%	0.039	19%	0.19	C	C	.	.			trans	-54.4	134	168.3	-26.4	35	0	0	0	112.3	F519 T570 F571 R663	F519-P568 HydrophobicContact CE1-CG 4.14Å; F519-P568 HydrophobicContact CZ-CG 3.8Å; P568-T570 WeakPolarHBondContact CB-O 3.45Å; P568-T570 PolarHBondContact O-N 3.23Å; P568-F571 HydrophobicContact CB-CD1 4.29Å; P568-F571 HydrophobicContact CB-CE1 4.29Å; P568-F571 HydrophobicContact CB-CE2 4.5Å; P568-F571 HydrophobicContact CB-CG 4.41Å; P568-F571 HydrophobicContact CB-CZ 4.39Å; P568-F571 HydrophobicContact CG-CD1 4.07Å; P568-F571 HydrophobicContact CG-CE1 3.83Å; P568-F571 HydrophobicContact CG-CZ 4.23Å; P568-R663 VanDerWaalsContact CA-O 3.28Å; P568-R663 WeakPolarHBondContact CA-O 3.41Å
569	P	72.1	Confident	76.7	Confident	41 Å²	41	37 Å²	37	27%	0.266	20%	0.203	S	C	.	.	S	Bend	trans	-65.6	-30.9	169.9	26.9	-34.6	0	0	0	112	I222 N223	I222-P569 HydrophobicContact CB-CB 3.75Å; I222-P569 HydrophobicContact CB-CG 3.99Å; I222-P569 HydrophobicContact CD1-CG 4.13Å; I222-P569 HydrophobicContact CG1-CG 4.49Å; I222-P569 HydrophobicContact CG2-CB 4.03Å; N223-P569 WeakPolarHBondContact OD1-CB 3.24Å
570	T	82.5	Confident	78	Confident	62 Å²	62	43.2 Å²	43.2	38%	0.38	23%	0.23	S	C	.	.	S	Bend	trans	-130.6	143.5	168.8	60.4	0	0	0	0	107.6	P568 S572 R666	P568-T570 WeakPolarHBondContact CB-O 3.45Å; P568-T570 PolarHBondContact O-N 3.23Å; T570-S572 PolarHBondContact OG1-O 3.02Å; T570-R666 WeakPolarHBondContact O-CD 3.18Å; T570-R666 PolarHBondContact O-NE 2.73Å; T570-R666 PolarHBondContact OG1-NE 3.07Å; T570-R666 VanDerWaalsContact OG1-NE 3.08Å
571	F	87.2	Confident	79.4	Confident	30 Å²	30	40.4 Å²	40.4	13%	0.132	22%	0.219	C	C	.	.	S	Bend	trans	-90.8	-10.9	179.6	-80.1	-91.1	0	0	0	113.7	T518 F519 L521 H527 L567 P568 R666 V667	T518-F571 WeakPolarHBondContact O-CD1 3.35Å; T518-F571 WeakPolarHBondContact O-CE1 3.48Å; F519-F571 AromaticContact CD1-CD1 3.74Å; F519-F571 HydrophobicContact CD1-CD1 3.74Å; F519-F571 HydrophobicContact CD2-CD1 4.16Å; F519-F571 HydrophobicContact CD2-CE1 4.27Å; F519-F571 AromaticContact CE1-CD1 3.82Å; F519-F571 HydrophobicContact CE1-CD1 3.82Å; F519-F571 HydrophobicContact CE1-CE1 4.39Å; F519-F571 HydrophobicContact CE2-CD1 4.22Å; F519-F571 HydrophobicContact CE2-CE1 4.1Å; F519-F571 AromaticContact CG-CD1 3.92Å; F519-F571 HydrophobicContact CG-CD1 3.92Å; F519-F571 HydrophobicContact CG-CE1 4.47Å; F519-F571 HydrophobicContact CZ-CD1 4.06Å; F519-F571 HydrophobicContact CZ-CE1 4.17Å; L521-F571 HydrophobicContact CD2-CB 4.26Å; H527-F571 HydrophobicContact CB-CD2 4.44Å; H527-F571 HydrophobicContact CB-CE2 3.74Å; H527-F571 HydrophobicContact CB-CZ 3.78Å; H527-F571 AromaticContact CG-CE2 3.89Å; L567-F571 HydrophobicContact CD2-CZ 4.15Å; P568-F571 HydrophobicContact CB-CD1 4.29Å; P568-F571 HydrophobicContact CB-CE1 4.29Å; P568-F571 HydrophobicContact CB-CE2 4.5Å; P568-F571 HydrophobicContact CB-CG 4.41Å; P568-F571 HydrophobicContact CB-CZ 4.39Å; P568-F571 HydrophobicContact CG-CD1 4.07Å; P568-F571 HydrophobicContact CG-CE1 3.83Å; P568-F571 HydrophobicContact CG-CZ 4.23Å; F571-R666 CarbonylContact O-C 3.53Å; F571-R666 WeakPolarHBondContact O-CA 3.34Å; F571-V667 PolarHBondContact O-N 3.04Å
572	S	91	Very high	80.9	Confident	22 Å²	22	40.2 Å²	40.2	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	161.9	179.2	57.9	0	0	0	0	113.9	T570 V667 E669	T570-S572 PolarHBondContact OG1-O 3.02Å; S572-V667 CarbonylContact C-O 3.56Å; S572-V667 WeakPolarHBondContact CA-O 3.47Å; S572-E669 WeakPolarHBondContact CB-OE1 3.47Å; S572-E669 PolarHBondContact OG-OE1 3.39Å
573	L	91.9	Very high	82.1	Confident	20 Å²	20	44.5 Å²	44.5	11%	0.105	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.6	157	-73.3	164.2	0	0	0	106.7	R626 F628 R666 V667 E669	L573-R626 HydrophobicContact CD1-CG 3.91Å; L573-F628 HydrophobicContact CD2-CD2 4.05Å; L573-R666 HydrophobicContact CB-CB 4.5Å; L573-R666 HydrophobicContact CD1-CB 4.05Å; L573-R666 HydrophobicContact CD1-CG 4.48Å; L573-R666 HydrophobicContact CD2-CG 4.38Å; L573-R666 HydrophobicContact CG-CB 3.69Å; L573-R666 HydrophobicContact CG-CG 3.95Å; L573-V667 PolarHBondContact N-O 3.37Å; L573-E669 WeakPolarHBondContact O-CB 3.42Å; L573-E669 WeakPolarHBondContact O-CG 3.34Å; L573-E669 PolarHBondContact O-N 2.77Å; L573-E669 VanDerWaalsContact O-N 3.12Å
574	P	92.4	Very high	82.8	Confident	51 Å²	51	45.1 Å²	45.1	33%	0.331	24%	0.241	S	C	.	.			trans	-51.8	146.6	174.9	-29.5	36	0	0	0	113.1	D576 D577 T578 E669	P574-D576 VanDerWaalsContact C-N 3.29Å; P574-D576 PolarHBondContact O-N 3.03Å; P574-D577 HydrophobicContact CB-CB 4.39Å; P574-D577 WeakPolarHBondContact CD-OD2 3.43Å; P574-D577 WeakPolarHBondContact CG-OD2 3.33Å; P574-D577 PolarHBondContact O-N 3Å; P574-T578 PolarHBondContact O-N 2.99Å; P574-T578 PolarHBondContact O-OG1 2.95Å; P574-E669 WeakPolarHBondContact CA-OE2 3.48Å
575	A	92	Very high	83.6	Confident	26 Å²	26	46.5 Å²	46.5	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-39.5	179.5	0	0	0	0	0	111.9	T578 K579 E669 F670	A575-T578 PolarHBondContact O-N 3.38Å; A575-K579 WeakPolarHBondContact O-CG 2.91Å; A575-K579 PolarHBondContact O-N 2.74Å; A575-E669 HydrophobicContact CB-CB 4.12Å; A575-F670 HydrophobicContact CB-CB 4.08Å
576	D	91.4	Very high	84.4	Confident	121 Å²	121	46.7 Å²	46.7	65%	0.647	24%	0.243	S	C	*	.	H	α-helix	trans	-69.1	-35.9	-178	-63.9	-38.6	0	0	0	112.9	P574 T578 K579 H580	P574-D576 VanDerWaalsContact C-N 3.29Å; P574-D576 PolarHBondContact O-N 3.03Å; D576-T578 VanDerWaalsContact C-N 3.27Å; D576-T578 PolarHBondContact O-N 2.87Å; D576-K579 PolarHBondContact O-N 3.5Å; D576-H580 WeakPolarHBondContact O-CB 3.32Å; D576-H580 PolarHBondContact O-N 2.67Å
577	D	89.3	Confident	84.8	Confident	96 Å²	96	51.3 Å²	51.3	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-40.1	172.7	-66.5	-13.7	0	0	0	110.8	P574 H580 E581	P574-D577 HydrophobicContact CB-CB 4.39Å; P574-D577 WeakPolarHBondContact CD-OD2 3.43Å; P574-D577 WeakPolarHBondContact CG-OD2 3.33Å; P574-D577 PolarHBondContact O-N 3Å; D577-H580 PolarHBondContact O-N 3.41Å; D577-E581 PolarHBondContact O-N 3.45Å
578	T	88.7	Confident	84.4	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-36	178.3	-59.3	0	0	0	0	111.9	P574 A575 D576 E581 L582 R626 L633 F670	P574-T578 PolarHBondContact O-N 2.99Å; P574-T578 PolarHBondContact O-OG1 2.95Å; A575-T578 PolarHBondContact O-N 3.38Å; D576-T578 VanDerWaalsContact C-N 3.27Å; D576-T578 PolarHBondContact O-N 2.87Å; T578-E581 PolarHBondContact O-N 3.19Å; T578-L582 PolarHBondContact O-N 2.89Å; T578-R626 PolarHBondContact OG1-NH2 3.1Å; T578-L633 HydrophobicContact CG2-CD2 4.04Å; T578-F670 HydrophobicContact CG2-CB 3.9Å; T578-F670 HydrophobicContact CG2-CD1 3.91Å; T578-F670 HydrophobicContact CG2-CG 4.22Å
579	K	89.6	Confident	83.5	Confident	63 Å²	63	59.4 Å²	59.4	27%	0.274	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-39.5	170.8	-69.1	-172.2	174.6	-155.9	0	112.7	A575 D576 E581 L582 K583 F670 G692	A575-K579 WeakPolarHBondContact O-CG 2.91Å; A575-K579 PolarHBondContact O-N 2.74Å; D576-K579 PolarHBondContact O-N 3.5Å; K579-E581 VanDerWaalsContact C-N 3.31Å; K579-E581 PolarHBondContact O-N 3.42Å; K579-L582 WeakPolarHBondContact O-CB 3.1Å; K579-L582 PolarHBondContact O-N 3.25Å; K579-K583 WeakPolarHBondContact O-CB 3.36Å; K579-K583 PolarHBondContact O-N 2.96Å; K579-F670 HydrophobicContact CG-CD2 4.1Å; K579-F670 HydrophobicContact CG-CE2 4.22Å; K579-G692 WeakPolarHBondContact CE-O 3.4Å; K579-G692 PolarHBondContact NZ-O 2.9Å
580	H	86.9	Confident	82.6	Confident	141 Å²	141	60 Å²	60	65%	0.653	31%	0.311	S	S	*	.	H	α-helix	trans	-62.2	-40.8	174.7	-174.6	-89.7	0	0	0	111.1	D576 D577 K583 S584	D576-H580 WeakPolarHBondContact O-CB 3.32Å; D576-H580 PolarHBondContact O-N 2.67Å; D577-H580 PolarHBondContact O-N 3.41Å; H580-K583 PolarHBondContact O-N 3.34Å; H580-S584 WeakPolarHBondContact O-CB 3.36Å; H580-S584 PolarHBondContact O-N 3.13Å
581	E	86	Confident	81.2	Confident	57 Å²	57	62.8 Å²	62.8	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-72.6	-34	177.4	177.9	57	180	0	0	113.7	D577 T578 K579 S584 R585	D577-E581 PolarHBondContact O-N 3.45Å; T578-E581 PolarHBondContact O-N 3.19Å; K579-E581 VanDerWaalsContact C-N 3.31Å; K579-E581 PolarHBondContact O-N 3.42Å; E581-S584 PolarHBondContact O-N 3.12Å; E581-S584 WeakPolarHBondContact OE2-CB 3.22Å; E581-S584 PolarHBondContact OE2-OG 2.83Å; E581-R585 VanDerWaalsContact O-CD 3.32Å; E581-R585 WeakPolarHBondContact O-CD 3.5Å; E581-R585 VanDerWaalsContact O-CG 3.31Å; E581-R585 WeakPolarHBondContact O-CG 3.46Å; E581-R585 PolarHBondContact O-N 2.86Å; E581-R585 IonicContact OE1-CZ 2.85Å; E581-R585 IonicContact OE1-NE 3.95Å; E581-R585 PolarHBondContact OE1-NE 2.8Å; E581-R585 IonicContact OE1-NH2 3.78Å; E581-R585 PolarHBondContact OE1-NH2 3.02Å
582	L	87.1	Confident	79.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-54.9	-51.4	166.7	-90.2	158.7	0	0	0	111.2	T578 K579 R585 L586 I608 L633 F670 L688	T578-L582 PolarHBondContact O-N 2.89Å; K579-L582 WeakPolarHBondContact O-CB 3.1Å; K579-L582 PolarHBondContact O-N 3.25Å; L582-R585 WeakPolarHBondContact O-CB 3.08Å; L582-R585 PolarHBondContact O-N 3.18Å; L582-L586 PolarHBondContact O-N 3.22Å; L582-I608 HydrophobicContact CD2-CD1 4.16Å; L582-L633 HydrophobicContact CD2-CD1 3.47Å; L582-L633 VanDerWaalsContact CD2-CD1 3.47Å; L582-L633 HydrophobicContact CG-CD1 3.84Å; L582-L633 HydrophobicContact CG-CD2 4.28Å; L582-F670 HydrophobicContact CD1-CD1 4.14Å; L582-F670 HydrophobicContact CD1-CE1 3.6Å; L582-F670 HydrophobicContact CD1-CZ 4.06Å; L582-L688 HydrophobicContact CD1-CD1 4.28Å; L582-L688 HydrophobicContact CD2-CB 3.84Å; L582-L688 HydrophobicContact CD2-CD1 3.93Å
583	K	85.2	Confident	77.5	Confident	91 Å²	91	69.4 Å²	69.4	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-42.2	178.2	-173.9	168.5	-177.9	169	0	112.6	K579 H580 R585 L586 Q587 G690	K579-K583 WeakPolarHBondContact O-CB 3.36Å; K579-K583 PolarHBondContact O-N 2.96Å; H580-K583 PolarHBondContact O-N 3.34Å; K583-R585 PolarHBondContact O-N 3.31Å; K583-L586 PolarHBondContact O-N 2.98Å; K583-Q587 HydrophobicContact CG-CG 4.33Å; K583-Q587 WeakPolarHBondContact O-CB 3.29Å; K583-Q587 WeakPolarHBondContact O-CG 3.27Å; K583-Q587 PolarHBondContact O-N 3.31Å; K583-G690 WeakPolarHBondContact CB-O 3.19Å; K583-G690 WeakPolarHBondContact CG-O 3.16Å
584	S	82.2	Confident	75.6	Confident	20 Å²	20	76 Å²	76	14%	0.14	40%	0.4	C	S	.	.	H	α-helix	trans	-57.2	-32.8	176.7	125.8	0	0	0	0	112.6	H580 E581 K588	H580-S584 WeakPolarHBondContact O-CB 3.36Å; H580-S584 PolarHBondContact O-N 3.13Å; E581-S584 PolarHBondContact O-N 3.12Å; E581-S584 WeakPolarHBondContact OE2-CB 3.22Å; E581-S584 PolarHBondContact OE2-OG 2.83Å; S584-K588 VanDerWaalsContact O-CD 3.25Å; S584-K588 WeakPolarHBondContact O-CD 3.31Å; S584-K588 VanDerWaalsContact O-CG 3.23Å; S584-K588 WeakPolarHBondContact O-CG 3.43Å; S584-K588 PolarHBondContact O-N 2.91Å; S584-K588 PolarHBondContact OG-NZ 3.1Å
585	R	81.8	Confident	73.4	Confident	81 Å²	81	80.8 Å²	80.8	31%	0.306	42%	0.422	S	S	.	.	H	α-helix	trans	-76	-53	179.8	-72.6	160.6	-179.9	-87.9	-26.3	112.2	E581 L582 K583 Q587 K588 S589 I608 S631	E581-R585 VanDerWaalsContact O-CD 3.32Å; E581-R585 WeakPolarHBondContact O-CD 3.5Å; E581-R585 VanDerWaalsContact O-CG 3.31Å; E581-R585 WeakPolarHBondContact O-CG 3.46Å; E581-R585 PolarHBondContact O-N 2.86Å; E581-R585 IonicContact OE1-CZ 2.85Å; E581-R585 IonicContact OE1-NE 3.95Å; E581-R585 PolarHBondContact OE1-NE 2.8Å; E581-R585 IonicContact OE1-NH2 3.78Å; E581-R585 PolarHBondContact OE1-NH2 3.02Å; L582-R585 WeakPolarHBondContact O-CB 3.08Å; L582-R585 PolarHBondContact O-N 3.18Å; K583-R585 PolarHBondContact O-N 3.31Å; R585-Q587 VanDerWaalsContact C-N 3.25Å; R585-Q587 PolarHBondContact O-N 3.02Å; R585-K588 PolarHBondContact O-N 3.41Å; R585-S589 PolarHBondContact O-N 3.06Å; R585-S589 PolarHBondContact O-OG 2.77Å; R585-I608 HydrophobicContact CB-CD1 4.37Å; R585-S631 PolarHBondContact NH1-O 2.98Å; R585-S631 VanDerWaalsContact NH1-O 3.09Å; R585-S631 PolarHBondContact NH2-O 3.41Å
586	L	79.8	Confident	71	Confident	30 Å²	30	84.3 Å²	84.3	16%	0.157	44%	0.444	C	S	.	.	H	α-helix	trans	-66.6	-29.3	-177.1	-74.2	162	0	0	0	112	L582 K583 S589 S590 A605 I608 G690	L582-L586 PolarHBondContact O-N 3.22Å; K583-L586 PolarHBondContact O-N 2.98Å; L586-S589 WeakPolarHBondContact CA-OG 3.35Å; L586-S589 PolarHBondContact O-OG 3.07Å; L586-S590 PolarHBondContact O-N 2.76Å; L586-A605 WeakPolarHBondContact CD2-O 3.46Å; L586-I608 HydrophobicContact CD1-CD1 4.15Å; L586-I608 HydrophobicContact CD1-CG1 4.28Å; L586-I608 HydrophobicContact CD2-CD1 4.42Å; L586-I608 HydrophobicContact CD2-CG1 4.23Å; L586-I608 HydrophobicContact CG-CD1 4.04Å; L586-I608 HydrophobicContact CG-CG1 4.32Å; L586-G690 VanDerWaalsContact CD1-CA 3.49Å
587	Q	74.4	Confident	68.6	Low	103 Å²	103	86.4 Å²	86.4	48%	0.481	45%	0.454	S	S	.	.	H	α-helix	trans	-76	-19.4	171	-68.7	-173	-37.5	0	0	114.8	K583 R585 S590 N591	K583-Q587 HydrophobicContact CG-CG 4.33Å; K583-Q587 WeakPolarHBondContact O-CB 3.29Å; K583-Q587 WeakPolarHBondContact O-CG 3.27Å; K583-Q587 PolarHBondContact O-N 3.31Å; R585-Q587 VanDerWaalsContact C-N 3.25Å; R585-Q587 PolarHBondContact O-N 3.02Å; Q587-S590 PolarHBondContact O-OG 2.8Å; Q587-N591 VanDerWaalsContact O-CG 3.23Å; Q587-N591 PolarHBondContact O-OD1 3.28Å
588	K	65.1	Low	66.2	Low	130 Å²	130	87.6 Å²	87.6	57%	0.565	46%	0.456	S	S	*	.	H	α-helix	trans	-77.1	-41.7	171.4	-77.7	163.2	-172.6	151.3	0	110.5	S584 R585 S590 N591	S584-K588 VanDerWaalsContact O-CD 3.25Å; S584-K588 WeakPolarHBondContact O-CD 3.31Å; S584-K588 VanDerWaalsContact O-CG 3.23Å; S584-K588 WeakPolarHBondContact O-CG 3.43Å; S584-K588 PolarHBondContact O-N 2.91Å; S584-K588 PolarHBondContact OG-NZ 3.1Å; R585-K588 PolarHBondContact O-N 3.41Å; K588-S590 PolarHBondContact O-N 3.47Å; K588-N591 PolarHBondContact O-N 3.29Å; K588-N591 VanDerWaalsContact O-N 3.14Å
589	S	56.7	Low	64	Low	59 Å²	59	95.5 Å²	95.5	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-22.3	174.2	38.8	0	0	0	0	114.6	R585 L586	R585-S589 PolarHBondContact O-N 3.06Å; R585-S589 PolarHBondContact O-OG 2.77Å; L586-S589 WeakPolarHBondContact CA-OG 3.35Å; L586-S589 PolarHBondContact O-OG 3.07Å
590	S	53.8	Low	61.5	Low	53 Å²	53	95.6 Å²	95.6	37%	0.371	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.9	174.7	61.8	0	0	0	0	114.5	L586 Q587 K588	L586-S590 PolarHBondContact O-N 2.76Å; Q587-S590 PolarHBondContact O-OG 2.8Å; K588-S590 PolarHBondContact O-N 3.47Å
591	N	52.8	Low	59.5	Low	121 Å²	121	97.1 Å²	97.1	65%	0.647	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-12.7	-166.5	-68.6	11.1	0	0	0	114.3	Q587 K588 S593	Q587-N591 VanDerWaalsContact O-CG 3.23Å; Q587-N591 PolarHBondContact O-OD1 3.28Å; K588-N591 PolarHBondContact O-N 3.29Å; K588-N591 VanDerWaalsContact O-N 3.14Å; N591-S593 PolarHBondContact O-N 3.47Å; N591-S593 VanDerWaalsContact O-N 3.08Å
592	D	52.7	Low	57.6	Low	106 Å²	106	100.9 Å²	100.9	57%	0.567	56%	0.557	S	S	*	*			trans	-76.2	23	170.5	-76.6	-9.8	0	0	0	112.4	D594	D592-D594 PolarHBondContact O-N 2.93Å
593	S	48.5	Very low	55.9	Low	84 Å²	84	109.5 Å²	109.5	59%	0.587	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	19.1	-168.7	70	0	0	0	0	115.6	N591 C596	N591-S593 PolarHBondContact O-N 3.47Å; N591-S593 VanDerWaalsContact O-N 3.08Å; S593-C596 PolarHBondContact O-SG 3.01Å
594	D	50.8	Low	54.4	Low	158 Å²	158	110.2 Å²	110.2	85%	0.845	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	8.9	-177	-144.2	24.2	0	0	0	112.5	D592	D592-D594 PolarHBondContact O-N 2.93Å
595	L	46.4	Very low	53.5	Low	152 Å²	152	112 Å²	112	80%	0.796	62%	0.62	S	S	*	*			trans	-114.1	38.1	172.9	-68.2	177.8	0	0	0	112.4	I597	L595-I597 PolarHBondContact O-N 3.25Å
596	C	40.6	Very low	53.4	Low	101 Å²	101	114.4 Å²	114.4	68%	0.682	64%	0.639	S	S	*	*			trans	-77	98.7	178.9	-66	0	0	0	0	112	S593	S593-C596 PolarHBondContact O-SG 3.01Å
597	I	42.5	Very low	53.6	Low	165 Å²	165	117.7 Å²	117.7	85%	0.846	65%	0.65	S	S	*	*			trans	-87.1	126.7	155.7	-64.1	-178.4	0	0	0	108	L595 D599	L595-I597 PolarHBondContact O-N 3.25Å; I597-D599 PolarHBondContact O-N 3.48Å
598	E	38.1	Very low	54.2	Low	120 Å²	120	114.9 Å²	114.9	56%	0.561	64%	0.638	S	S	*	*	S	Bend	trans	-65.5	110.5	177.1	-54	162.9	135.8	0	0	110.4	K1047	E598-K1047 IonicContact OE1-NZ 3.76Å; E598-K1047 IonicContact OE2-NZ 2.57Å; E598-K1047 PolarHBondContact OE2-NZ 2.8Å
599	D	41.8	Very low	55.4	Low	170 Å²	170	112.7 Å²	112.7	91%	0.909	64%	0.637	S	S	*	*			trans	169.8	111	143.5	-88.7	-22.6	0	0	0	111.6	I597	I597-D599 PolarHBondContact O-N 3.48Å
600	G	38.3	Very low	57.1	Low	66 Å²	66	110.1 Å²	110.1	68%	0.68	62%	0.619	S	S	*	*			trans	121.7	132.1	166.1	0	0	0	0	0	116.4	V602	G600-V602 PolarHBondContact O-N 2.87Å
601	D	44.8	Very low	59	Low	173 Å²	173	108.8 Å²	108.8	93%	0.925	61%	0.61	S	S	*	*			trans	-75.7	79.3	-176.8	-55.9	-68.3	0	0	0	112.9
602	V	45.9	Very low	61.1	Low	135 Å²	135	103 Å²	103	82%	0.818	58%	0.579	S	S	*	*			trans	-93.4	94.7	168.8	-175.4	0	0	0	0	109.1	G600 L604	G600-V602 PolarHBondContact O-N 2.87Å; V602-L604 PolarHBondContact O-N 3.48Å
603	E	50.4	Low	63.2	Low	181 Å²	181	99.6 Å²	99.6	85%	0.846	56%	0.56	S	S	*	*			trans	-57.5	126.8	168.1	-67.8	-174.8	147.9	0	0	109.5	A605	E603-A605 PolarHBondContact O-N 2.78Å
604	L	55	Low	65.5	Low	107 Å²	107	95.7 Å²	95.7	56%	0.56	53%	0.533	S	S	*	.			trans	-66	117.4	175.3	-153.4	82.5	0	0	0	107.7	V602 D606	V602-L604 PolarHBondContact O-N 3.48Å; L604-D606 PolarHBondContact O-N 3.05Å
605	A	62.8	Low	67.7	Low	56 Å²	56	91.2 Å²	91.2	46%	0.463	51%	0.512	S	S	.	.			trans	-67.9	104.3	-173.7	0	0	0	0	0	111.2	L586 E603 Y607	L586-A605 WeakPolarHBondContact CD2-O 3.46Å; E603-A605 PolarHBondContact O-N 2.78Å; A605-Y607 PolarHBondContact O-N 3.01Å
606	D	80.1	Confident	70	Confident	132 Å²	132	86.6 Å²	86.6	71%	0.706	49%	0.488	S	S	*	.	S	Bend	trans	-60.2	-6.5	176.2	-77.9	-34.1	0	0	0	114	L604	L604-D606 PolarHBondContact O-N 3.05Å
607	Y	84.1	Confident	72.6	Confident	99 Å²	99	84.6 Å²	84.6	39%	0.388	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.3	-176.2	63.3	-95.1	0	0	0	113.9	A605 Q687 L688	A605-Y607 PolarHBondContact O-N 3.01Å; Y607-Q687 HydrophobicContact CD2-CB 3.86Å; Y607-Q687 HydrophobicContact CD2-CG 3.61Å; Y607-Q687 HydrophobicContact CE2-CG 3.96Å; Y607-Q687 HydrophobicContact CG-CB 4.04Å; Y607-Q687 HydrophobicContact CG-CG 4.21Å; Y607-Q687 VanDerWaalsContact CZ-NE2 3.27Å; Y607-L688 CarbonylContact C-O 3.48Å; Y607-L688 WeakPolarHBondContact CA-O 3.32Å
608	I	87.1	Confident	75.1	Confident	44 Å²	44	86.9 Å²	86.9	23%	0.226	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.7	171.4	-64.3	171.2	0	0	0	108.6	L582 R585 L586 V610 L633 L688	L582-I608 HydrophobicContact CD2-CD1 4.16Å; R585-I608 HydrophobicContact CB-CD1 4.37Å; L586-I608 HydrophobicContact CD1-CD1 4.15Å; L586-I608 HydrophobicContact CD1-CG1 4.28Å; L586-I608 HydrophobicContact CD2-CD1 4.42Å; L586-I608 HydrophobicContact CD2-CG1 4.23Å; L586-I608 HydrophobicContact CG-CD1 4.04Å; L586-I608 HydrophobicContact CG-CG1 4.32Å; I608-V610 HydrophobicContact CG2-CG2 4.27Å; I608-L633 HydrophobicContact CD1-CD1 4.3Å; I608-L688 PolarHBondContact N-O 3.45Å; I608-L688 PolarHBondContact O-N 3.29Å
609	P	89.5	Confident	77.8	Confident	84 Å²	84	84.9 Å²	84.9	55%	0.545	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.5	174.7	29.8	-33.5	0	0	0	111.4	V686	P609-V686 CarbonylContact C-O 3.49Å; P609-V686 WeakPolarHBondContact CA-O 3.39Å
610	V	92.1	Very high	80.4	Confident	5 Å²	5	80.3 Å²	80.3	3%	0.03	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.6	-179.7	171.9	0	0	0	0	110.5	I608 F671 F685 V686 L688	I608-V610 HydrophobicContact CG2-CG2 4.27Å; V610-F671 HydrophobicContact CG1-CD2 4.26Å; V610-F671 HydrophobicContact CG1-CE2 3.42Å; V610-F671 VanDerWaalsContact CG1-CE2 3.42Å; V610-F671 HydrophobicContact CG1-CZ 4Å; V610-F685 WeakPolarHBondContact O-CA 3.43Å; V610-V686 HydrophobicContact CB-CG2 4.34Å; V610-V686 PolarHBondContact N-O 2.81Å; V610-V686 PolarHBondContact O-N 2.85Å; V610-L688 HydrophobicContact CB-CD1 4.12Å; V610-L688 HydrophobicContact CB-CG 4.4Å; V610-L688 HydrophobicContact CG2-CD1 3.46Å; V610-L688 VanDerWaalsContact CG2-CD1 3.46Å; V610-L688 HydrophobicContact CG2-CG 4.04Å
611	C	94.9	Very high	83.2	Confident	26 Å²	26	77.4 Å²	77.4	18%	0.176	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.5	-177.2	-169.4	0	0	0	0	110.8	L613 Q634 F671 E684 F685	C611-L613 VanDerWaalsContact C-N 3.26Å; C611-L613 PolarHBondContact O-N 3.39Å; C611-Q634 PolarHBondContact O-NE2 2.75Å; C611-Q634 PolarHBondContact O-OE1 3.08Å; C611-F671 WeakPolarHBondContact O-CZ 3.41Å; C611-E684 CarbonylContact C-O 3.45Å; C611-E684 WeakPolarHBondContact CA-O 3.11Å; C611-F685 HydrophobicContact CB-CD1 3.93Å; C611-F685 HydrophobicContact CB-CE1 3.63Å; C611-F685 HydrophobicContact CB-CZ 4.26Å
612	L	96.3	Very high	85.6	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.385	C	S	.	.	S	Bend	trans	-83.5	-1.5	177.1	-56.8	-173.1	0	0	0	113.1	I621 F671 I674 L675 E684 V686	L612-I621 PolarHBondContact O-N 3.07Å; L612-F671 HydrophobicContact CD2-CE1 3.76Å; L612-F671 HydrophobicContact CD2-CZ 3.9Å; L612-I674 HydrophobicContact CD1-CG2 4.09Å; L612-I674 HydrophobicContact CD2-CG2 3.97Å; L612-L675 HydrophobicContact CB-CD2 4.03Å; L612-L675 HydrophobicContact CD1-CD2 4.44Å; L612-L675 HydrophobicContact CD2-CD2 4.2Å; L612-L675 HydrophobicContact CG-CD2 4.46Å; L612-E684 PolarHBondContact N-O 2.96Å; L612-V686 HydrophobicContact CD1-CG1 3.97Å; L612-V686 HydrophobicContact CD2-CG2 4.07Å; L612-V686 HydrophobicContact CG-CG1 4.45Å; L612-V686 HydrophobicContact CG-CG2 4.46Å
613	L	96.8	Very high	88	Confident	34 Å²	34	67.9 Å²	67.9	18%	0.178	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-88.1	146.8	170.7	-51.9	-177.8	0	0	0	111.2	C611 T619 R620 E684	C611-L613 VanDerWaalsContact C-N 3.26Å; C611-L613 PolarHBondContact O-N 3.39Å; L613-T619 CarbonylContact C-O 3.51Å; L613-T619 WeakPolarHBondContact CA-O 3.3Å; L613-R620 HydrophobicContact CD2-CB 4.34Å; L613-E684 HydrophobicContact CD1-CB 4.33Å; L613-E684 HydrophobicContact CD1-CG 4.02Å; L613-E684 HydrophobicContact CD2-CG 4.35Å; L613-E684 HydrophobicContact CG-CB 4.32Å; L613-E684 HydrophobicContact CG-CG 4.25Å
614	C	97.2	Very high	90.2	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.007	31%	0.31	C	S	.	.			trans	-76.7	127.4	177.2	179.9	0	0	0	0	109.9	L616 T617 R618 T619 I621 D637	C614-L616 PolarHBondContact O-N 2.92Å; C614-L616 VanDerWaalsContact O-N 3.08Å; C614-T617 WeakPolarHBondContact CB-OG1 3.18Å; C614-T617 PolarHBondContact O-N 3.08Å; C614-R618 WeakPolarHBondContact O-CA 3.2Å; C614-R618 PolarHBondContact O-N 3.29Å; C614-T619 PolarHBondContact N-O 3.37Å; C614-I621 HydrophobicContact CB-CG1 3.78Å; C614-D637 HydrophobicContact CB-CB 4.01Å; C614-D637 PolarHBondContact SG-N 3.19Å
615	P	96.2	Very high	92.2	Very high	64 Å²	64	54.1 Å²	54.1	42%	0.416	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-16.7	179.8	25.3	-34.5	0	0	0	113.8	F636 I655	P615-F636 HydrophobicContact CG-CB 4.07Å; P615-I655 HydrophobicContact CG-CD1 4.15Å; P615-I655 HydrophobicContact CG-CG1 3.89Å
616	L	94.6	Very high	93.7	Very high	56 Å²	56	52.1 Å²	52.1	29%	0.293	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-34.7	179.1	-68	171.9	0	0	0	114.2	C614 Y641 I644 P654	C614-L616 PolarHBondContact O-N 2.92Å; C614-L616 VanDerWaalsContact O-N 3.08Å; L616-Y641 HydrophobicContact CD1-CD2 4.2Å; L616-I644 HydrophobicContact CB-CD1 4.25Å; L616-I644 HydrophobicContact CD1-CD1 4.06Å; L616-I644 HydrophobicContact CD2-CD1 3.66Å; L616-I644 HydrophobicContact CG-CD1 4.21Å; L616-P654 HydrophobicContact CD1-CB 4.42Å; L616-P654 HydrophobicContact CD1-CG 4.15Å; L616-P654 HydrophobicContact CD2-CB 3.53Å; L616-P654 HydrophobicContact CD2-CG 4.17Å; L616-P654 HydrophobicContact CG-CB 3.94Å; L616-P654 HydrophobicContact CG-CG 4.06Å
617	T	95.1	Very high	94.4	Very high	58 Å²	58	45.9 Å²	45.9	36%	0.356	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-14.4	-170.8	54.3	0	0	0	0	113.6	C614 T619 S640	C614-T617 WeakPolarHBondContact CB-OG1 3.18Å; C614-T617 PolarHBondContact O-N 3.08Å; T617-T619 PolarHBondContact O-N 3.07Å; T617-T619 VanDerWaalsContact O-N 3.12Å; T617-T619 PolarHBondContact OG1-N 3.04Å; T617-T619 PolarHBondContact OG1-OG1 2.79Å; T617-S640 WeakPolarHBondContact CG2-OG 2.98Å
618	R	95.3	Very high	94.7	Very high	213 Å²	213	46.7 Å²	46.7	80%	0.804	24%	0.236	S	C	*	.	S	Bend	trans	57.6	13.8	-169.4	-52.8	180	-178	174.7	-0.4	114.1	C614	C614-R618 WeakPolarHBondContact O-CA 3.2Å; C614-R618 PolarHBondContact O-N 3.29Å
619	T	95.4	Very high	94.8	Very high	78 Å²	78	48.9 Å²	48.9	48%	0.479	25%	0.248	S	C	.	.	S	Bend	trans	-91.5	158	170.3	62.4	0	0	0	0	110.1	L613 C614 T617 I621	L613-T619 CarbonylContact C-O 3.51Å; L613-T619 WeakPolarHBondContact CA-O 3.3Å; C614-T619 PolarHBondContact N-O 3.37Å; T617-T619 PolarHBondContact O-N 3.07Å; T617-T619 VanDerWaalsContact O-N 3.12Å; T617-T619 PolarHBondContact OG1-N 3.04Å; T617-T619 PolarHBondContact OG1-OG1 2.79Å; T619-I621 PolarHBondContact O-N 3.39Å
620	R	96.4	Very high	95	Very high	74 Å²	74	45.2 Å²	45.2	28%	0.279	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-53	139.5	171	-166.4	175.9	-173.5	82.3	4.1	110.8	L613 L675 S680 V681 V683	L613-R620 HydrophobicContact CD2-CB 4.34Å; R620-L675 HydrophobicContact CG-CD2 4.34Å; R620-S680 PolarHBondContact NH1-O 3.49Å; R620-S680 VanDerWaalsContact NH2-C 3.29Å; R620-S680 PolarHBondContact NH2-O 3.05Å; R620-S680 PolarHBondContact NH2-OG 3.5Å; R620-V681 PolarHBondContact NH1-O 3.4Å; R620-V683 PolarHBondContact NH1-O 3.3Å
621	I	97.2	Very high	94.9	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.4	132.6	176.5	-64.9	168.6	0	0	0	109.3	L612 C614 T619 P624 C635 D637 F671 L675	L612-I621 PolarHBondContact O-N 3.07Å; C614-I621 HydrophobicContact CB-CG1 3.78Å; T619-I621 PolarHBondContact O-N 3.39Å; I621-P624 VanDerWaalsContact CG2-CA 3.47Å; I621-P624 HydrophobicContact CG2-CB 3.79Å; I621-C635 HydrophobicContact CD1-CB 4.36Å; I621-C635 WeakPolarHBondContact CD1-O 3.45Å; I621-D637 HydrophobicContact CG2-CB 4.33Å; I621-F671 HydrophobicContact CD1-CE1 3.8Å; I621-F671 HydrophobicContact CD1-CZ 3.8Å; I621-L675 HydrophobicContact CB-CD1 3.92Å; I621-L675 HydrophobicContact CB-CD2 4.5Å; I621-L675 HydrophobicContact CG2-CD1 3.75Å
622	D	95	Very high	94.8	Very high	91 Å²	91	48.2 Å²	48.2	49%	0.487	24%	0.243	S	C	.	.	S	Bend	trans	-98.4	-52.7	175.9	-179.7	-4.2	0	0	0	109.9	R516 D637	R516-D622 IonicContact CZ-OD1 3.51Å; R516-D622 IonicContact CZ-OD2 3.4Å; R516-D622 IonicContact NH1-OD1 2.97Å; R516-D622 IonicContact NH1-OD2 3.86Å; R516-D622 PolarHBondContact NH1-OD2 3.37Å; R516-D622 IonicContact NH2-OD1 3.74Å; R516-D622 PolarHBondContact NH2-OD1 3.2Å; R516-D622 IonicContact NH2-OD2 2.7Å; R516-D622 PolarHBondContact NH2-OD2 2.95Å; D622-D637 PolarHBondContact N-OD1 3.03Å
623	L	95.7	Very high	94.6	Very high	16 Å²	16	49 Å²	49	8%	0.084	25%	0.247	C	C	.	.	S	Bend	trans	-115.9	100.6	171.4	-157.1	87.6	0	0	0	111.3	F519 V625 D637 L638 V667 M672	F519-L623 HydrophobicContact CB-CD2 3.72Å; L623-V625 HydrophobicContact CD2-CG1 4.34Å; L623-V625 PolarHBondContact O-N 3.27Å; L623-D637 PolarHBondContact N-OD1 3.49Å; L623-D637 VanDerWaalsContact N-OD1 3.16Å; L623-L638 HydrophobicContact CB-CB 4.21Å; L623-L638 HydrophobicContact CD2-CB 3.87Å; L623-L638 HydrophobicContact CD2-CD2 3.47Å; L623-L638 VanDerWaalsContact CD2-CD2 3.47Å; L623-L638 HydrophobicContact CD2-CG 4.29Å; L623-L638 PolarHBondContact O-N 3.47Å; L623-L638 VanDerWaalsContact O-N 3.12Å; L623-V667 HydrophobicContact CD2-CG2 4.23Å; L623-V667 HydrophobicContact CG-CG2 4.5Å; L623-M672 HydrophobicContact CD1-CE 3.71Å; L623-M672 HydrophobicContact CG-CE 4.49Å
624	P	97.1	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.8	-177.7	30	-35.4	0	0	0	111.1	I621 C635 V667 D668 F671 M672 L675	I621-P624 VanDerWaalsContact CG2-CA 3.47Å; I621-P624 HydrophobicContact CG2-CB 3.79Å; P624-C635 HydrophobicContact CB-CB 3.86Å; P624-V667 WeakPolarHBondContact O-CA 3.3Å; P624-D668 PolarHBondContact O-N 2.78Å; P624-F671 HydrophobicContact CB-CB 4.05Å; P624-F671 HydrophobicContact CB-CD1 3.6Å; P624-F671 HydrophobicContact CB-CE1 4.3Å; P624-F671 HydrophobicContact CB-CG 3.99Å; P624-F671 HydrophobicContact CG-CB 4.34Å; P624-F671 HydrophobicContact CG-CD1 4.21Å; P624-M672 HydrophobicContact CG-CB 3.87Å; P624-M672 HydrophobicContact CG-CE 4.31Å; P624-M672 HydrophobicContact CG-SD 4.47Å; P624-L675 HydrophobicContact CB-CD1 3.99Å; P624-L675 HydrophobicContact CG-CD1 3.8Å
625	V	97	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.8	174.6	-64	0	0	0	0	112.2	L623 F636 L638 R666 V667	L623-V625 HydrophobicContact CD2-CG1 4.34Å; L623-V625 PolarHBondContact O-N 3.27Å; V625-F636 HydrophobicContact CG2-CD2 3.78Å; V625-F636 HydrophobicContact CG2-CE2 3.67Å; V625-F636 HydrophobicContact CG2-CZ 4.42Å; V625-F636 WeakPolarHBondContact CG2-O 3.36Å; V625-F636 PolarHBondContact N-O 2.84Å; V625-F636 WeakPolarHBondContact O-CD1 3.42Å; V625-F636 PolarHBondContact O-N 3.09Å; V625-L638 HydrophobicContact CG1-CB 3.9Å; V625-L638 HydrophobicContact CG1-CD1 4.31Å; V625-L638 HydrophobicContact CG1-CD2 4.46Å; V625-L638 HydrophobicContact CG1-CG 4.43Å; V625-L638 HydrophobicContact CG2-CB 3.79Å; V625-L638 HydrophobicContact CG2-CD1 4.06Å; V625-R666 WeakPolarHBondContact CA-O 3.48Å; V625-R666 VanDerWaalsContact CB-O 3.3Å; V625-R666 WeakPolarHBondContact CB-O 3.43Å; V625-R666 WeakPolarHBondContact CG1-O 3.28Å; V625-V667 HydrophobicContact CG1-CG2 4.38Å
626	R	95	Very high	94.6	Very high	14 Å²	14	46.1 Å²	46.1	5%	0.053	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	168	164.5	53.2	-175.6	174.6	121.5	5.5	109.5	L573 T578 C630 H632 F636 L665 R666 D668	L573-R626 HydrophobicContact CD1-CG 3.91Å; T578-R626 PolarHBondContact OG1-NH2 3.1Å; R626-C630 HydrophobicContact CB-CB 4.13Å; R626-H632 WeakPolarHBondContact CD-O 3.48Å; R626-H632 PolarHBondContact NH1-O 2.89Å; R626-F636 HydrophobicContact CB-CE1 4.39Å; R626-L665 WeakPolarHBondContact O-CA 3.45Å; R626-R666 PolarHBondContact N-O 3.39Å; R626-R666 PolarHBondContact O-N 3.17Å; R626-D668 IonicContact CZ-OD2 3.16Å; R626-D668 IonicContact NE-OD2 2.68Å; R626-D668 PolarHBondContact NE-OD2 3.48Å; R626-D668 IonicContact NH2-OD2 2.8Å; R626-D668 PolarHBondContact NH2-OD2 2.76Å
627	S	93.4	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.8	170.8	-168.4	0	0	0	0	109.6	N629 C630 D664	S627-N629 PolarHBondContact O-N 2.97Å; S627-N629 PolarHBondContact OG-N 2.86Å; S627-C630 WeakPolarHBondContact CB-SG 3.32Å; S627-C630 PolarHBondContact N-SG 3.46Å; S627-C630 WeakPolarHBondContact O-CB 3.29Å; S627-C630 PolarHBondContact O-N 3.25Å; S627-D664 CarbonylContact C-O 3.47Å; S627-D664 VanDerWaalsContact CA-O 3.31Å; S627-D664 WeakPolarHBondContact CA-O 3.5Å; S627-D664 WeakPolarHBondContact OG-CB 3.39Å; S627-D664 PolarHBondContact OG-O 2.84Å
628	F	90.5	Very high	94.8	Very high	117 Å²	117	41 Å²	41	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.6	166.1	178.4	-99.3	0	0	0	111.5	L573 C630 D664 R666	L573-F628 HydrophobicContact CD2-CD2 4.05Å; F628-C630 VanDerWaalsContact C-N 3.31Å; F628-C630 PolarHBondContact O-N 3.08Å; F628-D664 PolarHBondContact N-O 3.41Å; F628-R666 HydrophobicContact CB-CG 4.27Å
629	N	90.4	Very high	94.9	Very high	89 Å²	89	34.2 Å²	34.2	48%	0.476	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	5.1	176.5	-57.1	77.5	0	0	0	113.9	S627 I658	S627-N629 PolarHBondContact O-N 2.97Å; S627-N629 PolarHBondContact OG-N 2.86Å; N629-I658 HydrophobicContact CB-CG2 4.47Å
630	C	93.4	Very high	94.9	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.054	16%	0.158	C	C	.	.			trans	-82.9	116.1	178.2	-77.6	0	0	0	0	111.6	R626 S627 F628 H632 C653	R626-C630 HydrophobicContact CB-CB 4.13Å; S627-C630 WeakPolarHBondContact CB-SG 3.32Å; S627-C630 PolarHBondContact N-SG 3.46Å; S627-C630 WeakPolarHBondContact O-CB 3.29Å; S627-C630 PolarHBondContact O-N 3.25Å; F628-C630 VanDerWaalsContact C-N 3.31Å; F628-C630 PolarHBondContact O-N 3.08Å; C630-H632 VanDerWaalsContact C-N 3.3Å; C630-H632 WeakPolarHBondContact CB-NE2 3.08Å; C630-H632 PolarHBondContact O-N 2.83Å; C630-H632 VanDerWaalsContact SG-CE1 3.54Å; C630-H632 PolarHBondContact SG-NE2 3.12Å; C630-C653 VanDerWaalsContact SG-SG 3.66Å
631	S	90.9	Very high	94.9	Very high	71 Å²	71	28 Å²	28	50%	0.497	15%	0.145	S	C	.	.			trans	-72.4	-16.5	171.9	60.6	0	0	0	0	113.9	R585	R585-S631 PolarHBondContact NH1-O 2.98Å; R585-S631 VanDerWaalsContact NH1-O 3.09Å; R585-S631 PolarHBondContact NH2-O 3.41Å
632	H	92.4	Very high	94.7	Very high	23 Å²	23	27.7 Å²	27.7	11%	0.106	14%	0.144	C	C	.	.			trans	-83.6	151.2	177	55.1	80.8	0	0	0	112.1	R626 C630 Q634 C653 I655 C656	R626-H632 WeakPolarHBondContact CD-O 3.48Å; R626-H632 PolarHBondContact NH1-O 2.89Å; C630-H632 VanDerWaalsContact C-N 3.3Å; C630-H632 WeakPolarHBondContact CB-NE2 3.08Å; C630-H632 PolarHBondContact O-N 2.83Å; C630-H632 VanDerWaalsContact SG-CE1 3.54Å; C630-H632 PolarHBondContact SG-NE2 3.12Å; H632-Q634 PolarHBondContact CE1-O 3.39Å; H632-Q634 PolarHBondContact ND1-O 3.08Å; H632-C653 VanDerWaalsContact CE1-SG 3.55Å; H632-C653 PolarHBondContact NE2-SG 3.48Å; H632-I655 HydrophobicContact CB-CG2 4.25Å; H632-C656 VanDerWaalsContact CD2-SG 3.55Å; H632-C656 PolarHBondContact NE2-SG 3.43Å
633	L	92.3	Very high	94.6	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.084	13%	0.132	C	C	.	.			trans	-84.7	-27.8	173.6	-64.1	165.9	0	0	0	112.3	T578 L582 I608 C635	T578-L633 HydrophobicContact CG2-CD2 4.04Å; L582-L633 HydrophobicContact CD2-CD1 3.47Å; L582-L633 VanDerWaalsContact CD2-CD1 3.47Å; L582-L633 HydrophobicContact CG-CD1 3.84Å; L582-L633 HydrophobicContact CG-CD2 4.28Å; I608-L633 HydrophobicContact CD1-CD1 4.3Å; L633-C635 PolarHBondContact O-N 3.38Å
634	Q	95.1	Very high	94.3	Very high	38 Å²	38	27.2 Å²	27.2	18%	0.178	14%	0.142	C	C	.	.			trans	-56.3	128.4	175.9	-179	59.1	56.5	0	0	110.4	C611 H632 I655	C611-Q634 PolarHBondContact O-NE2 2.75Å; C611-Q634 PolarHBondContact O-OE1 3.08Å; H632-Q634 PolarHBondContact CE1-O 3.39Å; H632-Q634 PolarHBondContact ND1-O 3.08Å; Q634-I655 HydrophobicContact CB-CD1 4.03Å; Q634-I655 HydrophobicContact CG-CD1 3.69Å; Q634-I655 HydrophobicContact CG-CG1 4.46Å; Q634-I655 VanDerWaalsContact O-CD1 3.26Å; Q634-I655 WeakPolarHBondContact O-CD1 3.41Å
635	C	97	Very high	93.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.			trans	-99.3	168.6	177.3	-71.9	0	0	0	0	111.7	I621 P624 L633 D668 F671	I621-C635 HydrophobicContact CD1-CB 4.36Å; I621-C635 WeakPolarHBondContact CD1-O 3.45Å; P624-C635 HydrophobicContact CB-CB 3.86Å; L633-C635 PolarHBondContact O-N 3.38Å; C635-D668 VanDerWaalsContact SG-CB 3.59Å; C635-F671 HydrophobicContact CB-CD1 4.33Å; C635-F671 HydrophobicContact CB-CD2 3.76Å; C635-F671 HydrophobicContact CB-CE1 4.37Å; C635-F671 HydrophobicContact CB-CE2 3.78Å; C635-F671 HydrophobicContact CB-CG 4.04Å; C635-F671 HydrophobicContact CB-CZ 4.09Å; C635-F671 VanDerWaalsContact SG-CD2 3.56Å
636	F	97.8	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	162.4	169.3	52.1	-91.6	0	0	0	110.2	P615 V625 R626 Y641 P654 I655 L665	P615-F636 HydrophobicContact CG-CB 4.07Å; V625-F636 HydrophobicContact CG2-CD2 3.78Å; V625-F636 HydrophobicContact CG2-CE2 3.67Å; V625-F636 HydrophobicContact CG2-CZ 4.42Å; V625-F636 WeakPolarHBondContact CG2-O 3.36Å; V625-F636 PolarHBondContact N-O 2.84Å; V625-F636 WeakPolarHBondContact O-CD1 3.42Å; V625-F636 PolarHBondContact O-N 3.09Å; R626-F636 HydrophobicContact CB-CE1 4.39Å; F636-Y641 HydrophobicContact CD2-CD2 4.04Å; F636-Y641 AromaticContact CD2-CG 3.96Å; F636-Y641 HydrophobicContact CD2-CG 3.96Å; F636-Y641 AromaticContact CE2-CD1 3.89Å; F636-Y641 HydrophobicContact CE2-CD1 3.89Å; F636-Y641 AromaticContact CE2-CD2 3.67Å; F636-Y641 HydrophobicContact CE2-CD2 3.67Å; F636-Y641 HydrophobicContact CE2-CE1 4.33Å; F636-Y641 HydrophobicContact CE2-CE2 4.15Å; F636-Y641 AromaticContact CE2-CG 3.52Å; F636-Y641 HydrophobicContact CE2-CG 3.52Å; F636-Y641 HydrophobicContact CZ-CD2 4.4Å; F636-Y641 HydrophobicContact CZ-CE2 4.47Å; F636-P654 HydrophobicContact CB-CG 3.99Å; F636-P654 HydrophobicContact CD1-CG 3.67Å; F636-P654 HydrophobicContact CD2-CG 4.21Å; F636-P654 HydrophobicContact CE1-CG 4.16Å; F636-P654 HydrophobicContact CG-CG 3.69Å; F636-I655 HydrophobicContact CD1-CD1 3.92Å; F636-L665 HydrophobicContact CE2-CD2 4.27Å; F636-L665 HydrophobicContact CZ-CD2 4.04Å
637	D	97.5	Very high	92.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.7	-179.5	173	70.5	0	0	0	112.4	C614 I621 D622 L623 H639 S640 Y641	C614-D637 HydrophobicContact CB-CB 4.01Å; C614-D637 PolarHBondContact SG-N 3.19Å; I621-D637 HydrophobicContact CG2-CB 4.33Å; D622-D637 PolarHBondContact N-OD1 3.03Å; L623-D637 PolarHBondContact N-OD1 3.49Å; L623-D637 VanDerWaalsContact N-OD1 3.16Å; D637-H639 WeakPolarHBondContact OD2-CB 3.44Å; D637-H639 PolarHBondContact OD2-N 3.28Å; D637-H639 VanDerWaalsContact OD2-N 3.1Å; D637-S640 WeakPolarHBondContact OD2-CB 3.28Å; D637-S640 PolarHBondContact OD2-N 3.18Å; D637-S640 PolarHBondContact OD2-OG 3.49Å; D637-Y641 WeakPolarHBondContact O-CB 3.5Å; D637-Y641 PolarHBondContact O-N 2.81Å
638	L	96.6	Very high	91.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-42.9	-177.9	-177.9	64	0	0	0	113.1	F519 L623 V625 S640 Y641 L642 L665	F519-L638 HydrophobicContact CB-CD2 3.85Å; F519-L638 HydrophobicContact CD1-CD2 4.32Å; F519-L638 HydrophobicContact CD2-CD2 3.49Å; F519-L638 VanDerWaalsContact CD2-CD2 3.49Å; F519-L638 HydrophobicContact CE2-CD2 4.11Å; F519-L638 HydrophobicContact CG-CD2 3.62Å; L623-L638 HydrophobicContact CB-CB 4.21Å; L623-L638 HydrophobicContact CD2-CB 3.87Å; L623-L638 HydrophobicContact CD2-CD2 3.47Å; L623-L638 VanDerWaalsContact CD2-CD2 3.47Å; L623-L638 HydrophobicContact CD2-CG 4.29Å; L623-L638 PolarHBondContact O-N 3.47Å; L623-L638 VanDerWaalsContact O-N 3.12Å; V625-L638 HydrophobicContact CG1-CB 3.9Å; V625-L638 HydrophobicContact CG1-CD1 4.31Å; V625-L638 HydrophobicContact CG1-CD2 4.46Å; V625-L638 HydrophobicContact CG1-CG 4.43Å; V625-L638 HydrophobicContact CG2-CB 3.79Å; V625-L638 HydrophobicContact CG2-CD1 4.06Å; L638-S640 VanDerWaalsContact C-N 3.31Å; L638-S640 PolarHBondContact O-N 3.06Å; L638-Y641 PolarHBondContact O-N 2.92Å; L638-L642 HydrophobicContact CD1-CD1 3.88Å; L638-L642 HydrophobicContact CD1-CD2 4.41Å; L638-L642 HydrophobicContact CD1-CG 3.85Å; L638-L642 HydrophobicContact CD2-CD1 4.24Å; L638-L642 HydrophobicContact CG-CD1 3.74Å; L638-L642 HydrophobicContact CG-CG 4.13Å; L638-L642 WeakPolarHBondContact O-CB 3.3Å; L638-L642 VanDerWaalsContact O-CG 3.28Å; L638-L642 WeakPolarHBondContact O-CG 3.21Å; L638-L642 PolarHBondContact O-N 2.89Å; L638-L665 HydrophobicContact CD1-CD1 3.75Å
639	H	96	Very high	91.1	Very high	69 Å²	69	39 Å²	39	32%	0.319	19%	0.19	S	C	.	.	H	α-helix	trans	-63.9	-42	-176.9	-176.3	98.6	0	0	0	110.8	V512 D637 T643	V512-H639 WeakPolarHBondContact CG1-ND1 2.99Å; D637-H639 WeakPolarHBondContact OD2-CB 3.44Å; D637-H639 PolarHBondContact OD2-N 3.28Å; D637-H639 VanDerWaalsContact OD2-N 3.1Å; H639-T643 WeakPolarHBondContact O-CB 3.49Å; H639-T643 PolarHBondContact O-N 3.1Å; H639-T643 PolarHBondContact O-OG1 3.31Å
640	S	95.6	Very high	90.6	Very high	15 Å²	15	41.4 Å²	41.4	11%	0.105	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-49.2	174.5	-54.7	0	0	0	0	111.5	T617 D637 L638 L642 T643 I644	T617-S640 WeakPolarHBondContact CG2-OG 2.98Å; D637-S640 WeakPolarHBondContact OD2-CB 3.28Å; D637-S640 PolarHBondContact OD2-N 3.18Å; D637-S640 PolarHBondContact OD2-OG 3.49Å; L638-S640 VanDerWaalsContact C-N 3.31Å; L638-S640 PolarHBondContact O-N 3.06Å; S640-L642 PolarHBondContact O-N 3.5Å; S640-T643 PolarHBondContact O-N 2.89Å; S640-I644 PolarHBondContact O-N 3.12Å
641	Y	96.1	Very high	90.3	Very high	6 Å²	6	41 Å²	41	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-44.2	179.1	-173.9	-110.1	0	0	0	112.8	L616 F636 D637 L638 I644 N645 W651 S652 A660 L665	L616-Y641 HydrophobicContact CD1-CD2 4.2Å; F636-Y641 HydrophobicContact CD2-CD2 4.04Å; F636-Y641 AromaticContact CD2-CG 3.96Å; F636-Y641 HydrophobicContact CD2-CG 3.96Å; F636-Y641 AromaticContact CE2-CD1 3.89Å; F636-Y641 HydrophobicContact CE2-CD1 3.89Å; F636-Y641 AromaticContact CE2-CD2 3.67Å; F636-Y641 HydrophobicContact CE2-CD2 3.67Å; F636-Y641 HydrophobicContact CE2-CE1 4.33Å; F636-Y641 HydrophobicContact CE2-CE2 4.15Å; F636-Y641 AromaticContact CE2-CG 3.52Å; F636-Y641 HydrophobicContact CE2-CG 3.52Å; F636-Y641 HydrophobicContact CZ-CD2 4.4Å; F636-Y641 HydrophobicContact CZ-CE2 4.47Å; D637-Y641 WeakPolarHBondContact O-CB 3.5Å; D637-Y641 PolarHBondContact O-N 2.81Å; L638-Y641 PolarHBondContact O-N 2.92Å; Y641-I644 PolarHBondContact O-N 3.49Å; Y641-N645 WeakPolarHBondContact CE1-ND2 3.38Å; Y641-N645 VanDerWaalsContact CE2-ND2 3.32Å; Y641-N645 WeakPolarHBondContact CE2-ND2 3.27Å; Y641-N645 VanDerWaalsContact CZ-ND2 3.28Å; Y641-N645 WeakPolarHBondContact O-CB 3.43Å; Y641-N645 PolarHBondContact O-N 3.16Å; Y641-N645 PolarHBondContact O-ND2 2.81Å; Y641-W651 AromaticContact CE1-CE3 3.96Å; Y641-W651 HydrophobicContact CE1-CE3 3.96Å; Y641-W651 HydrophobicContact CE1-CZ3 4.08Å; Y641-W651 VanDerWaalsContact OH-C 3.27Å; Y641-W651 WeakPolarHBondContact OH-CA 3.1Å; Y641-S652 WeakPolarHBondContact CE2-O 3.43Å; Y641-S652 PolarHBondContact OH-N 3.08Å; Y641-S652 PolarHBondContact OH-O 2.67Å; Y641-A660 PolarHBondContact OH-O 2.95Å; Y641-L665 HydrophobicContact CD1-CD1 3.9Å; Y641-L665 HydrophobicContact CD1-CD2 4.31Å; Y641-L665 HydrophobicContact CE1-CD1 3.89Å; Y641-L665 HydrophobicContact CE1-CD2 3.9Å; Y641-L665 HydrophobicContact CE1-CG 4.42Å
642	L	93.8	Very high	90.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-39.7	175.7	-71.4	175.6	0	0	0	112	V512 L515 L638 S640 I644 N645 M646 W651 F662	V512-L642 HydrophobicContact CG1-CB 3.76Å; V512-L642 HydrophobicContact CG1-CD1 4.37Å; V512-L642 HydrophobicContact CG2-CB 4.36Å; L515-L642 HydrophobicContact CB-CD1 3.76Å; L515-L642 HydrophobicContact CD1-CD2 4.49Å; L638-L642 HydrophobicContact CD1-CD1 3.88Å; L638-L642 HydrophobicContact CD1-CD2 4.41Å; L638-L642 HydrophobicContact CD1-CG 3.85Å; L638-L642 HydrophobicContact CD2-CD1 4.24Å; L638-L642 HydrophobicContact CG-CD1 3.74Å; L638-L642 HydrophobicContact CG-CG 4.13Å; L638-L642 WeakPolarHBondContact O-CB 3.3Å; L638-L642 VanDerWaalsContact O-CG 3.28Å; L638-L642 WeakPolarHBondContact O-CG 3.21Å; L638-L642 PolarHBondContact O-N 2.89Å; S640-L642 PolarHBondContact O-N 3.5Å; L642-I644 PolarHBondContact O-N 3.44Å; L642-N645 CarbonylContact O-C 3.6Å; L642-N645 PolarHBondContact O-N 2.8Å; L642-M646 WeakPolarHBondContact O-CB 3.41Å; L642-M646 PolarHBondContact O-N 2.84Å; L642-W651 HydrophobicContact CD2-CH2 4.13Å; L642-W651 HydrophobicContact CD2-CZ3 4.4Å; L642-F662 HydrophobicContact CD1-CE2 4.44Å; L642-F662 HydrophobicContact CD2-CD2 3.77Å; L642-F662 HydrophobicContact CD2-CE2 3.81Å
643	T	92.8	Very high	90.5	Very high	40 Å²	40	38.4 Å²	38.4	25%	0.245	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-42.1	177.8	-62.9	0	0	0	0	111.9	H639 S640 M646 R647	H639-T643 WeakPolarHBondContact O-CB 3.49Å; H639-T643 PolarHBondContact O-N 3.1Å; H639-T643 PolarHBondContact O-OG1 3.31Å; S640-T643 PolarHBondContact O-N 2.89Å; T643-M646 PolarHBondContact O-N 2.82Å; T643-R647 WeakPolarHBondContact O-CG 3.35Å; T643-R647 PolarHBondContact O-N 2.73Å
644	I	90.4	Very high	90.6	Very high	57 Å²	57	39.9 Å²	39.9	29%	0.292	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-48	173.7	-66.1	176.5	0	0	0	110	L616 S640 Y641 L642 M646 R647 R648	L616-I644 HydrophobicContact CB-CD1 4.25Å; L616-I644 HydrophobicContact CD1-CD1 4.06Å; L616-I644 HydrophobicContact CD2-CD1 3.66Å; L616-I644 HydrophobicContact CG-CD1 4.21Å; S640-I644 PolarHBondContact O-N 3.12Å; Y641-I644 PolarHBondContact O-N 3.49Å; L642-I644 PolarHBondContact O-N 3.44Å; I644-M646 VanDerWaalsContact C-N 3.27Å; I644-M646 PolarHBondContact O-N 3.34Å; I644-R647 PolarHBondContact O-N 3.43Å; I644-R648 CarbonylContact O-C 3.57Å; I644-R648 PolarHBondContact O-N 3.2Å
645	N	88.1	Confident	90.7	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-18	-179.4	-74.7	-70.3	0	0	0	114.5	Y641 L642 P649 R650 W651	Y641-N645 WeakPolarHBondContact CE1-ND2 3.38Å; Y641-N645 VanDerWaalsContact CE2-ND2 3.32Å; Y641-N645 WeakPolarHBondContact CE2-ND2 3.27Å; Y641-N645 VanDerWaalsContact CZ-ND2 3.28Å; Y641-N645 WeakPolarHBondContact O-CB 3.43Å; Y641-N645 PolarHBondContact O-N 3.16Å; Y641-N645 PolarHBondContact O-ND2 2.81Å; L642-N645 CarbonylContact O-C 3.6Å; L642-N645 PolarHBondContact O-N 2.8Å; N645-P649 VanDerWaalsContact O-CA 3.3Å; N645-P649 WeakPolarHBondContact O-CA 3.34Å; N645-P649 WeakPolarHBondContact O-CB 3.44Å; N645-P649 WeakPolarHBondContact O-CD 3.28Å; N645-P649 WeakPolarHBondContact OD1-CA 3.46Å; N645-R650 PolarHBondContact OD1-N 2.73Å; N645-R650 VanDerWaalsContact OD1-N 3.08Å; N645-W651 HydrophobicContact CB-CD2 4.15Å; N645-W651 HydrophobicContact CB-CE3 4.31Å; N645-W651 HydrophobicContact CB-CH2 4.06Å; N645-W651 HydrophobicContact CB-CZ2 3.88Å; N645-W651 HydrophobicContact CB-CZ3 4.27Å; N645-W651 WeakPolarHBondContact OD1-CA 3.41Å; N645-W651 PolarHBondContact OD1-N 3.01Å
646	M	83.9	Confident	90.6	Very high	71 Å²	71	42.8 Å²	42.8	35%	0.35	20%	0.203	S	C	.	.	H	α-helix	trans	-72.8	-33.1	169.5	-162.1	-175.7	-169.7	0	0	112	F283 V512 L642 T643 I644	F283-M646 HydrophobicContact CD1-CB 4.49Å; F283-M646 HydrophobicContact CD1-CE 4.22Å; F283-M646 HydrophobicContact CD1-CG 3.95Å; F283-M646 HydrophobicContact CD1-SD 4.32Å; F283-M646 HydrophobicContact CE1-CB 3.76Å; F283-M646 HydrophobicContact CE1-CG 3.66Å; F283-M646 HydrophobicContact CE1-SD 4.06Å; F283-M646 HydrophobicContact CE2-CB 4.12Å; F283-M646 HydrophobicContact CE2-CG 4.39Å; F283-M646 HydrophobicContact CG-CG 4.44Å; F283-M646 HydrophobicContact CZ-CB 3.55Å; F283-M646 HydrophobicContact CZ-CG 3.92Å; V512-M646 HydrophobicContact CG2-SD 3.95Å; L642-M646 WeakPolarHBondContact O-CB 3.41Å; L642-M646 PolarHBondContact O-N 2.84Å; T643-M646 PolarHBondContact O-N 2.82Å; I644-M646 VanDerWaalsContact C-N 3.27Å; I644-M646 PolarHBondContact O-N 3.34Å
647	R	78.2	Confident	90.4	Very high	150 Å²	150	47.4 Å²	47.4	57%	0.566	24%	0.235	S	C	*	.	H	α-helix	trans	-89.7	-42.1	-178.6	-64.7	173.2	176.2	-159.1	-6.1	112.6	T643 I644 E787	T643-R647 WeakPolarHBondContact O-CG 3.35Å; T643-R647 PolarHBondContact O-N 2.73Å; I644-R647 PolarHBondContact O-N 3.43Å; R647-E787 IonicContact NH2-OE1 2.74Å
648	R	77.6	Confident	90.1	Very high	137 Å²	137	50.5 Å²	50.5	52%	0.517	25%	0.251	S	S	.	.	S	Bend	trans	-144.2	79.6	-178.6	-70.3	-169.7	178.1	-149.5	4.2	109	I644 R650	I644-R648 CarbonylContact O-C 3.57Å; I644-R648 PolarHBondContact O-N 3.2Å; R648-R650 VanDerWaalsContact C-N 3.34Å; R648-R650 PolarHBondContact O-N 2.8Å
649	P	76.7	Confident	89.7	Confident	18 Å²	18	52 Å²	52	12%	0.117	26%	0.262	C	S	.	.			trans	-61.3	88	176.3	22.1	-32.8	0	0	0	112.4	N645 W651 I932	N645-P649 VanDerWaalsContact O-CA 3.3Å; N645-P649 WeakPolarHBondContact O-CA 3.34Å; N645-P649 WeakPolarHBondContact O-CB 3.44Å; N645-P649 WeakPolarHBondContact O-CD 3.28Å; N645-P649 WeakPolarHBondContact OD1-CA 3.46Å; P649-W651 VanDerWaalsContact CB-NE1 3.25Å; P649-I932 HydrophobicContact CB-CB 4.33Å; P649-I932 WeakPolarHBondContact CB-O 3.49Å; P649-I932 HydrophobicContact CG-CB 3.49Å; P649-I932 VanDerWaalsContact CG-CB 3.49Å; P649-I932 HydrophobicContact CG-CD1 3.95Å; P649-I932 HydrophobicContact CG-CG1 3.48Å; P649-I932 VanDerWaalsContact CG-CG1 3.48Å; P649-I932 WeakPolarHBondContact CG-O 3.42Å
650	R	80.2	Confident	89.4	Confident	139 Å²	139	48.7 Å²	48.7	53%	0.525	25%	0.246	S	C	.	.			trans	-85.2	-35.1	169.5	-75.3	-179.1	165.2	-178.6	-6.7	110.8	N645 R648 S652 D795	N645-R650 PolarHBondContact OD1-N 2.73Å; N645-R650 VanDerWaalsContact OD1-N 3.08Å; R648-R650 VanDerWaalsContact C-N 3.34Å; R648-R650 PolarHBondContact O-N 2.8Å; R650-S652 PolarHBondContact O-N 2.84Å; R650-D795 IonicContact CZ-OD2 3.39Å; R650-D795 IonicContact NH1-OD2 2.61Å; R650-D795 IonicContact NH2-OD2 3.72Å; R650-D795 PolarHBondContact NH2-OD2 2.81Å
651	W	87.5	Confident	89	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.244	C	C	.	.			trans	49.6	35.5	-177.3	-62.7	103.9	0	0	0	114.2	P282 F283 Y641 L642 N645 P649 A660 F662 P934	P282-W651 HydrophobicContact CG-CH2 3.83Å; P282-W651 HydrophobicContact CG-CZ2 4.16Å; F283-W651 HydrophobicContact CE2-CH2 4.29Å; F283-W651 AromaticContact CE2-CZ2 3.95Å; F283-W651 HydrophobicContact CE2-CZ2 3.95Å; Y641-W651 AromaticContact CE1-CE3 3.96Å; Y641-W651 HydrophobicContact CE1-CE3 3.96Å; Y641-W651 HydrophobicContact CE1-CZ3 4.08Å; Y641-W651 VanDerWaalsContact OH-C 3.27Å; Y641-W651 WeakPolarHBondContact OH-CA 3.1Å; L642-W651 HydrophobicContact CD2-CH2 4.13Å; L642-W651 HydrophobicContact CD2-CZ3 4.4Å; N645-W651 HydrophobicContact CB-CD2 4.15Å; N645-W651 HydrophobicContact CB-CE3 4.31Å; N645-W651 HydrophobicContact CB-CH2 4.06Å; N645-W651 HydrophobicContact CB-CZ2 3.88Å; N645-W651 HydrophobicContact CB-CZ3 4.27Å; N645-W651 WeakPolarHBondContact OD1-CA 3.41Å; N645-W651 PolarHBondContact OD1-N 3.01Å; P649-W651 VanDerWaalsContact CB-NE1 3.25Å; W651-A660 CarbonylContact O-C 3.6Å; W651-A660 PolarHBondContact O-N 3.33Å; W651-F662 HydrophobicContact CH2-CB 3.98Å; W651-F662 HydrophobicContact CH2-CD2 4.39Å; W651-F662 HydrophobicContact CZ3-CB 3.84Å; W651-F662 HydrophobicContact CZ3-CD2 4.43Å; W651-P934 HydrophobicContact CB-CB 3.83Å; W651-P934 HydrophobicContact CB-CG 3.7Å; W651-P934 HydrophobicContact CD2-CG 4.4Å; W651-P934 HydrophobicContact CG-CB 4.22Å; W651-P934 HydrophobicContact CG-CG 3.63Å
652	S	91.6	Very high	88.7	Confident	39 Å²	39	48.1 Å²	48.1	27%	0.273	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-108.5	142.3	173.4	55.6	0	0	0	0	109.7	Y641 R650 I658	Y641-S652 WeakPolarHBondContact CE2-O 3.43Å; Y641-S652 PolarHBondContact OH-N 3.08Å; Y641-S652 PolarHBondContact OH-O 2.67Å; R650-S652 PolarHBondContact O-N 2.84Å; S652-I658 WeakPolarHBondContact CA-O 3.34Å
653	C	95.5	Very high	88.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.			trans	-58.9	131.5	173.5	179	0	0	0	0	110.8	C630 H632 I655 S657 I658 A660	C630-C653 VanDerWaalsContact SG-SG 3.66Å; H632-C653 VanDerWaalsContact CE1-SG 3.55Å; H632-C653 PolarHBondContact NE2-SG 3.48Å; C653-I655 PolarHBondContact O-N 2.9Å; C653-I655 VanDerWaalsContact O-N 3.16Å; C653-I655 PolarHBondContact SG-N 2.78Å; C653-I655 VanDerWaalsContact SG-N 3.41Å; C653-S657 VanDerWaalsContact O-CA 3.27Å; C653-S657 WeakPolarHBondContact O-CA 3.45Å; C653-S657 PolarHBondContact O-N 3.24Å; C653-I658 PolarHBondContact N-O 3.18Å; C653-A660 HydrophobicContact CB-CB 4.19Å
654	P	95.5	Very high	88.1	Confident	46 Å²	46	51.8 Å²	51.8	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	0.4	179.4	32.1	-37.6	0	0	0	114.7	L616 F636	L616-P654 HydrophobicContact CD1-CB 4.42Å; L616-P654 HydrophobicContact CD1-CG 4.15Å; L616-P654 HydrophobicContact CD2-CB 3.53Å; L616-P654 HydrophobicContact CD2-CG 4.17Å; L616-P654 HydrophobicContact CG-CB 3.94Å; L616-P654 HydrophobicContact CG-CG 4.06Å; F636-P654 HydrophobicContact CB-CG 3.99Å; F636-P654 HydrophobicContact CD1-CG 3.67Å; F636-P654 HydrophobicContact CD2-CG 4.21Å; F636-P654 HydrophobicContact CE1-CG 4.16Å; F636-P654 HydrophobicContact CG-CG 3.69Å
655	I	95.3	Very high	88.2	Confident	60 Å²	60	49 Å²	49	31%	0.308	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-40	-176.8	-60.5	160.3	0	0	0	111.5	P615 H632 Q634 F636 C653	P615-I655 HydrophobicContact CG-CD1 4.15Å; P615-I655 HydrophobicContact CG-CG1 3.89Å; H632-I655 HydrophobicContact CB-CG2 4.25Å; Q634-I655 HydrophobicContact CB-CD1 4.03Å; Q634-I655 HydrophobicContact CG-CD1 3.69Å; Q634-I655 HydrophobicContact CG-CG1 4.46Å; Q634-I655 VanDerWaalsContact O-CD1 3.26Å; Q634-I655 WeakPolarHBondContact O-CD1 3.41Å; F636-I655 HydrophobicContact CD1-CD1 3.92Å; C653-I655 PolarHBondContact O-N 2.9Å; C653-I655 VanDerWaalsContact O-N 3.16Å; C653-I655 PolarHBondContact SG-N 2.78Å; C653-I655 VanDerWaalsContact SG-N 3.41Å
656	C	95.2	Very high	88.5	Confident	39 Å²	39	49.2 Å²	49.2	26%	0.264	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	3.5	-177.7	65.7	0	0	0	0	114.9	H632 I658	H632-C656 VanDerWaalsContact CD2-SG 3.55Å; H632-C656 PolarHBondContact NE2-SG 3.43Å; C656-I658 HydrophobicContact CB-CD1 4.42Å; C656-I658 HydrophobicContact CB-CG1 4.37Å; C656-I658 PolarHBondContact O-N 3.37Å
657	S	93.2	Very high	89.1	Confident	97 Å²	97	45.8 Å²	45.8	68%	0.678	22%	0.223	S	C	*	.			trans	59.6	-3.4	-179.4	-58.8	0	0	0	0	117.1	C653	C653-S657 VanDerWaalsContact O-CA 3.27Å; C653-S657 WeakPolarHBondContact O-CA 3.45Å; C653-S657 PolarHBondContact O-N 3.24Å
658	I	91.2	Very high	89.9	Confident	73 Å²	73	38.8 Å²	38.8	37%	0.374	20%	0.197	S	C	.	.			trans	-58.9	148.7	172.1	-60.6	175.9	0	0	0	110.1	N629 S652 C653 C656 A660	N629-I658 HydrophobicContact CB-CG2 4.47Å; S652-I658 WeakPolarHBondContact CA-O 3.34Å; C653-I658 PolarHBondContact N-O 3.18Å; C656-I658 HydrophobicContact CB-CD1 4.42Å; C656-I658 HydrophobicContact CB-CG1 4.37Å; C656-I658 PolarHBondContact O-N 3.37Å; I658-A660 PolarHBondContact O-N 3.06Å
659	S	88.9	Confident	90.8	Very high	31 Å²	31	35.5 Å²	35.5	22%	0.217	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-56	128.1	176.6	-159.3	0	0	0	0	111.7
660	A	90.4	Very high	91.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.			trans	-139.2	61.6	-178.4	0	0	0	0	0	110.4	Y641 W651 C653 I658 L665	Y641-A660 PolarHBondContact OH-O 2.95Å; W651-A660 CarbonylContact O-C 3.6Å; W651-A660 PolarHBondContact O-N 3.33Å; C653-A660 HydrophobicContact CB-CB 4.19Å; I658-A660 PolarHBondContact O-N 3.06Å; A660-L665 HydrophobicContact CB-CD2 4.29Å
661	P	87.7	Confident	92.3	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.052	16%	0.16	C	C	.	.			trans	-66	162.5	174.3	32.7	-38.3	0	0	0	111.1	R663 D664 L665 P934	P661-R663 HydrophobicContact CB-CG 4.31Å; P661-R663 HydrophobicContact CG-CG 4.01Å; P661-R663 PolarHBondContact O-N 3.01Å; P661-R663 VanDerWaalsContact O-N 3.08Å; P661-D664 WeakPolarHBondContact CD-OD2 3.32Å; P661-D664 HydrophobicContact CG-CB 4.08Å; P661-D664 WeakPolarHBondContact CG-OD2 3.49Å; P661-D664 PolarHBondContact O-N 2.83Å; P661-L665 PolarHBondContact O-N 2.63Å; P661-P934 HydrophobicContact CB-CB 4.47Å; P661-P934 HydrophobicContact CB-CG 3.73Å
662	F	88.4	Confident	92.7	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-50.1	-39.4	-174.3	-169.6	-112.1	0	0	0	114.7	P282 L515 F519 C566 L567 L642 W651 D664 L665	P282-F662 HydrophobicContact CB-CB 4.36Å; P282-F662 HydrophobicContact CB-CD1 3.51Å; P282-F662 HydrophobicContact CB-CD2 4.17Å; P282-F662 HydrophobicContact CB-CE1 3.67Å; P282-F662 HydrophobicContact CB-CE2 4.29Å; P282-F662 HydrophobicContact CB-CG 3.77Å; P282-F662 HydrophobicContact CB-CZ 4.05Å; P282-F662 HydrophobicContact CG-CB 4Å; P282-F662 HydrophobicContact CG-CD1 4Å; P282-F662 HydrophobicContact CG-CD2 3.85Å; P282-F662 HydrophobicContact CG-CE1 4.41Å; P282-F662 HydrophobicContact CG-CE2 4.25Å; P282-F662 HydrophobicContact CG-CG 3.7Å; L515-F662 HydrophobicContact CB-CE2 4.19Å; L515-F662 HydrophobicContact CB-CZ 4.19Å; L515-F662 HydrophobicContact CD2-CE1 4.47Å; L515-F662 HydrophobicContact CD2-CZ 3.94Å; L515-F662 HydrophobicContact CG-CZ 4.5Å; F519-F662 HydrophobicContact CE2-CD2 4.33Å; F519-F662 HydrophobicContact CE2-CE1 4.38Å; F519-F662 AromaticContact CE2-CE2 3.6Å; F519-F662 HydrophobicContact CE2-CE2 3.6Å; F519-F662 AromaticContact CE2-CZ 3.64Å; F519-F662 HydrophobicContact CE2-CZ 3.64Å; F519-F662 HydrophobicContact CZ-CE2 4.33Å; F519-F662 HydrophobicContact CZ-CZ 4.49Å; C566-F662 WeakPolarHBondContact O-CD1 3.45Å; L567-F662 HydrophobicContact CD2-CE1 4.4Å; L642-F662 HydrophobicContact CD1-CE2 4.44Å; L642-F662 HydrophobicContact CD2-CD2 3.77Å; L642-F662 HydrophobicContact CD2-CE2 3.81Å; W651-F662 HydrophobicContact CH2-CB 3.98Å; W651-F662 HydrophobicContact CH2-CD2 4.39Å; W651-F662 HydrophobicContact CZ3-CB 3.84Å; W651-F662 HydrophobicContact CZ3-CD2 4.43Å; F662-D664 VanDerWaalsContact C-N 3.29Å; F662-D664 PolarHBondContact O-N 2.97Å; F662-L665 HydrophobicContact CD2-CD1 4.31Å; F662-L665 PolarHBondContact O-N 3.43Å
663	R	85	Confident	92.8	Very high	97 Å²	97	30.8 Å²	30.8	37%	0.366	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24	175.8	50.8	157.5	-129	-155	-5.4	115.3	N565 C566 P568 P661 R666	N565-R663 WeakPolarHBondContact O-CB 3.37Å; N565-R663 WeakPolarHBondContact O-CD 3.4Å; C566-R663 WeakPolarHBondContact O-CA 3.34Å; C566-R663 WeakPolarHBondContact O-CB 3.46Å; C566-R663 PolarHBondContact O-N 3.36Å; P568-R663 VanDerWaalsContact CA-O 3.28Å; P568-R663 WeakPolarHBondContact CA-O 3.41Å; P661-R663 HydrophobicContact CB-CG 4.31Å; P661-R663 HydrophobicContact CG-CG 4.01Å; P661-R663 PolarHBondContact O-N 3.01Å; P661-R663 VanDerWaalsContact O-N 3.08Å; R663-R666 PolarHBondContact O-NH1 3.08Å
664	D	89.4	Confident	92.7	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.107	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-98.2	-10.7	-174	-60	-18.3	0	0	0	111	S627 F628 P661 F662 R666	S627-D664 CarbonylContact C-O 3.47Å; S627-D664 VanDerWaalsContact CA-O 3.31Å; S627-D664 WeakPolarHBondContact CA-O 3.5Å; S627-D664 WeakPolarHBondContact OG-CB 3.39Å; S627-D664 PolarHBondContact OG-O 2.84Å; F628-D664 PolarHBondContact N-O 3.41Å; P661-D664 WeakPolarHBondContact CD-OD2 3.32Å; P661-D664 HydrophobicContact CG-CB 4.08Å; P661-D664 WeakPolarHBondContact CG-OD2 3.49Å; P661-D664 PolarHBondContact O-N 2.83Å; F662-D664 VanDerWaalsContact C-N 3.29Å; F662-D664 PolarHBondContact O-N 2.97Å; D664-R666 VanDerWaalsContact C-NH1 3.27Å; D664-R666 PolarHBondContact O-NH1 3.38Å
665	L	93.4	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	146.4	172.2	-57.9	178.4	0	0	0	112.6	F519 R626 F636 L638 Y641 A660 P661 F662	F519-L665 HydrophobicContact CE1-CB 4.09Å; F519-L665 HydrophobicContact CZ-CB 4.02Å; R626-L665 WeakPolarHBondContact O-CA 3.45Å; F636-L665 HydrophobicContact CE2-CD2 4.27Å; F636-L665 HydrophobicContact CZ-CD2 4.04Å; L638-L665 HydrophobicContact CD1-CD1 3.75Å; Y641-L665 HydrophobicContact CD1-CD1 3.9Å; Y641-L665 HydrophobicContact CD1-CD2 4.31Å; Y641-L665 HydrophobicContact CE1-CD1 3.89Å; Y641-L665 HydrophobicContact CE1-CD2 3.9Å; Y641-L665 HydrophobicContact CE1-CG 4.42Å; A660-L665 HydrophobicContact CB-CD2 4.29Å; P661-L665 PolarHBondContact O-N 2.63Å; F662-L665 HydrophobicContact CD2-CD1 4.31Å; F662-L665 PolarHBondContact O-N 3.43Å
666	R	93.6	Very high	92.6	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.3	175.5	-57.4	-66.5	-179	-81	-7.6	110.2	T570 F571 L573 V625 R626 F628 R663 D664	T570-R666 WeakPolarHBondContact O-CD 3.18Å; T570-R666 PolarHBondContact O-NE 2.73Å; T570-R666 PolarHBondContact OG1-NE 3.07Å; T570-R666 VanDerWaalsContact OG1-NE 3.08Å; F571-R666 CarbonylContact O-C 3.53Å; F571-R666 WeakPolarHBondContact O-CA 3.34Å; L573-R666 HydrophobicContact CB-CB 4.5Å; L573-R666 HydrophobicContact CD1-CB 4.05Å; L573-R666 HydrophobicContact CD1-CG 4.48Å; L573-R666 HydrophobicContact CD2-CG 4.38Å; L573-R666 HydrophobicContact CG-CB 3.69Å; L573-R666 HydrophobicContact CG-CG 3.95Å; V625-R666 WeakPolarHBondContact CA-O 3.48Å; V625-R666 VanDerWaalsContact CB-O 3.3Å; V625-R666 WeakPolarHBondContact CB-O 3.43Å; V625-R666 WeakPolarHBondContact CG1-O 3.28Å; R626-R666 PolarHBondContact N-O 3.39Å; R626-R666 PolarHBondContact O-N 3.17Å; F628-R666 HydrophobicContact CB-CG 4.27Å; R663-R666 PolarHBondContact O-NH1 3.08Å; D664-R666 VanDerWaalsContact C-NH1 3.27Å; D664-R666 PolarHBondContact O-NH1 3.38Å
667	V	96	Very high	92.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.7	163.3	-173.2	0	0	0	0	109.1	F519 L521 F571 S572 L573 L623 P624 V625 E669 M672	F519-V667 HydrophobicContact CB-CG2 3.98Å; F519-V667 HydrophobicContact CD1-CG2 3.91Å; F519-V667 HydrophobicContact CG-CG2 4.45Å; L521-V667 HydrophobicContact CD1-CB 4.22Å; L521-V667 HydrophobicContact CD1-CG1 4.15Å; L521-V667 HydrophobicContact CD2-CG2 4.43Å; L521-V667 HydrophobicContact CG-CG2 4.46Å; F571-V667 PolarHBondContact O-N 3.04Å; S572-V667 CarbonylContact C-O 3.56Å; S572-V667 WeakPolarHBondContact CA-O 3.47Å; L573-V667 PolarHBondContact N-O 3.37Å; L623-V667 HydrophobicContact CD2-CG2 4.23Å; L623-V667 HydrophobicContact CG-CG2 4.5Å; P624-V667 WeakPolarHBondContact O-CA 3.3Å; V625-V667 HydrophobicContact CG1-CG2 4.38Å; V667-E669 PolarHBondContact O-N 3.25Å; V667-M672 HydrophobicContact CG1-CE 4.3Å
668	D	96.1	Very high	92.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.2	172.9	-167.5	-62.7	0	0	0	110.1	P624 R626 C635 F670 F671 M672	P624-D668 PolarHBondContact O-N 2.78Å; R626-D668 IonicContact CZ-OD2 3.16Å; R626-D668 IonicContact NE-OD2 2.68Å; R626-D668 PolarHBondContact NE-OD2 3.48Å; R626-D668 IonicContact NH2-OD2 2.8Å; R626-D668 PolarHBondContact NH2-OD2 2.76Å; C635-D668 VanDerWaalsContact SG-CB 3.59Å; D668-F670 VanDerWaalsContact C-N 3.34Å; D668-F670 PolarHBondContact O-N 3.43Å; D668-F670 PolarHBondContact OD1-N 2.9Å; D668-F670 VanDerWaalsContact OD1-N 3.15Å; D668-F671 HydrophobicContact CB-CB 3.83Å; D668-F671 WeakPolarHBondContact OD1-CB 3.5Å; D668-F671 PolarHBondContact OD1-N 3.45Å; D668-M672 WeakPolarHBondContact O-CB 3.04Å; D668-M672 PolarHBondContact O-N 3.02Å
669	E	95	Very high	92.3	Very high	68 Å²	68	39.8 Å²	39.8	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-69	-32.2	-175.7	-71.7	174.1	-164.6	0	0	112.6	L521 S572 L573 P574 A575 V667 S673	L521-E669 HydrophobicContact CD1-CG 4.14Å; S572-E669 WeakPolarHBondContact CB-OE1 3.47Å; S572-E669 PolarHBondContact OG-OE1 3.39Å; L573-E669 WeakPolarHBondContact O-CB 3.42Å; L573-E669 WeakPolarHBondContact O-CG 3.34Å; L573-E669 PolarHBondContact O-N 2.77Å; L573-E669 VanDerWaalsContact O-N 3.12Å; P574-E669 WeakPolarHBondContact CA-OE2 3.48Å; A575-E669 HydrophobicContact CB-CB 4.12Å; V667-E669 PolarHBondContact O-N 3.25Å; E669-S673 PolarHBondContact O-N 3.39Å
670	F	94.3	Very high	92.4	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-68.8	-49.9	176.9	177.1	-109.2	0	0	0	110.5	A575 T578 K579 L582 D668 M672 S673 I674 L688 G692	A575-F670 HydrophobicContact CB-CB 4.08Å; T578-F670 HydrophobicContact CG2-CB 3.9Å; T578-F670 HydrophobicContact CG2-CD1 3.91Å; T578-F670 HydrophobicContact CG2-CG 4.22Å; K579-F670 HydrophobicContact CG-CD2 4.1Å; K579-F670 HydrophobicContact CG-CE2 4.22Å; L582-F670 HydrophobicContact CD1-CD1 4.14Å; L582-F670 HydrophobicContact CD1-CE1 3.6Å; L582-F670 HydrophobicContact CD1-CZ 4.06Å; D668-F670 VanDerWaalsContact C-N 3.34Å; D668-F670 PolarHBondContact O-N 3.43Å; D668-F670 PolarHBondContact OD1-N 2.9Å; D668-F670 VanDerWaalsContact OD1-N 3.15Å; F670-M672 VanDerWaalsContact C-N 3.3Å; F670-M672 PolarHBondContact O-N 2.75Å; F670-S673 WeakPolarHBondContact O-CB 3.21Å; F670-S673 PolarHBondContact O-N 3.27Å; F670-S673 PolarHBondContact O-OG 2.89Å; F670-I674 HydrophobicContact CD1-CD1 4.22Å; F670-I674 HydrophobicContact CE1-CD1 3.73Å; F670-I674 HydrophobicContact CZ-CD1 3.98Å; F670-I674 PolarHBondContact O-N 3.11Å; F670-L688 HydrophobicContact CE1-CD1 4.05Å; F670-L688 HydrophobicContact CE1-CD2 4.06Å; F670-L688 HydrophobicContact CZ-CD2 4.25Å; F670-G692 VanDerWaalsContact CE2-O 3.25Å; F670-G692 WeakPolarHBondContact CE2-O 3.31Å
671	F	95.3	Very high	92.3	Very high	6 Å²	6	42 Å²	42	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-40.5	175.4	-154.3	-66.2	0	0	0	111.5	V610 C611 L612 I621 P624 C635 D668 S673 I674 L675	V610-F671 HydrophobicContact CG1-CD2 4.26Å; V610-F671 HydrophobicContact CG1-CE2 3.42Å; V610-F671 VanDerWaalsContact CG1-CE2 3.42Å; V610-F671 HydrophobicContact CG1-CZ 4Å; C611-F671 WeakPolarHBondContact O-CZ 3.41Å; L612-F671 HydrophobicContact CD2-CE1 3.76Å; L612-F671 HydrophobicContact CD2-CZ 3.9Å; I621-F671 HydrophobicContact CD1-CE1 3.8Å; I621-F671 HydrophobicContact CD1-CZ 3.8Å; P624-F671 HydrophobicContact CB-CB 4.05Å; P624-F671 HydrophobicContact CB-CD1 3.6Å; P624-F671 HydrophobicContact CB-CE1 4.3Å; P624-F671 HydrophobicContact CB-CG 3.99Å; P624-F671 HydrophobicContact CG-CB 4.34Å; P624-F671 HydrophobicContact CG-CD1 4.21Å; C635-F671 HydrophobicContact CB-CD1 4.33Å; C635-F671 HydrophobicContact CB-CD2 3.76Å; C635-F671 HydrophobicContact CB-CE1 4.37Å; C635-F671 HydrophobicContact CB-CE2 3.78Å; C635-F671 HydrophobicContact CB-CG 4.04Å; C635-F671 HydrophobicContact CB-CZ 4.09Å; C635-F671 VanDerWaalsContact SG-CD2 3.56Å; D668-F671 HydrophobicContact CB-CB 3.83Å; D668-F671 WeakPolarHBondContact OD1-CB 3.5Å; D668-F671 PolarHBondContact OD1-N 3.45Å; F671-S673 VanDerWaalsContact C-N 3.31Å; F671-S673 PolarHBondContact O-N 2.94Å; F671-I674 PolarHBondContact O-N 3.42Å; F671-L675 HydrophobicContact CD1-CD1 3.68Å; F671-L675 HydrophobicContact CD1-CG 3.9Å; F671-L675 HydrophobicContact CE1-CD1 3.85Å; F671-L675 HydrophobicContact CE1-CD2 4.26Å; F671-L675 HydrophobicContact CE1-CG 3.98Å; F671-L675 PolarHBondContact O-N 2.78Å
672	M	95	Very high	92.2	Very high	28 Å²	28	49.3 Å²	49.3	14%	0.138	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-38.2	173.5	179	60.7	91.1	0	0	112.1	L623 P624 V667 D668 F670 I674 L675 K676	L623-M672 HydrophobicContact CD1-CE 3.71Å; L623-M672 HydrophobicContact CG-CE 4.49Å; P624-M672 HydrophobicContact CG-CB 3.87Å; P624-M672 HydrophobicContact CG-CE 4.31Å; P624-M672 HydrophobicContact CG-SD 4.47Å; V667-M672 HydrophobicContact CG1-CE 4.3Å; D668-M672 WeakPolarHBondContact O-CB 3.04Å; D668-M672 PolarHBondContact O-N 3.02Å; F670-M672 VanDerWaalsContact C-N 3.3Å; F670-M672 PolarHBondContact O-N 2.75Å; M672-I674 VanDerWaalsContact C-N 3.31Å; M672-I674 PolarHBondContact O-N 3.14Å; M672-L675 PolarHBondContact O-N 2.91Å; M672-K676 HydrophobicContact CG-CD 4.05Å; M672-K676 HydrophobicContact CG-CG 4.38Å; M672-K676 WeakPolarHBondContact O-CB 3.49Å; M672-K676 WeakPolarHBondContact O-CG 3.36Å; M672-K676 PolarHBondContact O-N 3.1Å; M672-K676 HydrophobicContact SD-CD 3.99Å; M672-K676 VanDerWaalsContact SD-CE 3.57Å; M672-K676 HydrophobicContact SD-CG 3.91Å
673	S	94	Very high	92.3	Very high	57 Å²	57	51 Å²	51	40%	0.399	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-33.8	176.6	83	0	0	0	0	112.9	E669 F670 F671 N677	E669-S673 PolarHBondContact O-N 3.39Å; F670-S673 WeakPolarHBondContact O-CB 3.21Å; F670-S673 PolarHBondContact O-N 3.27Å; F670-S673 PolarHBondContact O-OG 2.89Å; F671-S673 VanDerWaalsContact C-N 3.31Å; F671-S673 PolarHBondContact O-N 2.94Å; S673-N677 PolarHBondContact O-N 2.95Å
674	I	94.7	Very high	92.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-48.5	174.5	-59.4	169.6	0	0	0	109.9	L612 F670 F671 M672 K676 N677 S680 V686 L688 W694	L612-I674 HydrophobicContact CD1-CG2 4.09Å; L612-I674 HydrophobicContact CD2-CG2 3.97Å; F670-I674 HydrophobicContact CD1-CD1 4.22Å; F670-I674 HydrophobicContact CE1-CD1 3.73Å; F670-I674 HydrophobicContact CZ-CD1 3.98Å; F670-I674 PolarHBondContact O-N 3.11Å; F671-I674 PolarHBondContact O-N 3.42Å; M672-I674 VanDerWaalsContact C-N 3.31Å; M672-I674 PolarHBondContact O-N 3.14Å; I674-K676 VanDerWaalsContact C-N 3.34Å; I674-K676 PolarHBondContact O-N 2.74Å; I674-N677 WeakPolarHBondContact O-CB 3.34Å; I674-N677 PolarHBondContact O-N 3.23Å; I674-N677 VanDerWaalsContact O-N 3.11Å; I674-S680 WeakPolarHBondContact O-CB 3.09Å; I674-S680 PolarHBondContact O-OG 2.77Å; I674-V686 HydrophobicContact CD1-CG2 4.48Å; I674-V686 HydrophobicContact CG2-CG1 4.17Å; I674-V686 HydrophobicContact CG2-CG2 4.27Å; I674-L688 HydrophobicContact CD1-CD2 3.73Å; I674-W694 HydrophobicContact CD1-CG 4.34Å; I674-W694 HydrophobicContact CG1-CD2 4.25Å; I674-W694 HydrophobicContact CG1-CG 4.15Å; I674-W694 HydrophobicContact CG2-CD2 4.26Å; I674-W694 HydrophobicContact CG2-CE3 4.36Å; I674-W694 HydrophobicContact CG2-CH2 4.38Å; I674-W694 HydrophobicContact CG2-CZ2 4.28Å; I674-W694 HydrophobicContact CG2-CZ3 4.42Å
675	L	94.7	Very high	92.8	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-37.1	180	-71.8	172.5	0	0	0	113	L612 R620 I621 P624 F671 M672 N677	L612-L675 HydrophobicContact CB-CD2 4.03Å; L612-L675 HydrophobicContact CD1-CD2 4.44Å; L612-L675 HydrophobicContact CD2-CD2 4.2Å; L612-L675 HydrophobicContact CG-CD2 4.46Å; R620-L675 HydrophobicContact CG-CD2 4.34Å; I621-L675 HydrophobicContact CB-CD1 3.92Å; I621-L675 HydrophobicContact CB-CD2 4.5Å; I621-L675 HydrophobicContact CG2-CD1 3.75Å; P624-L675 HydrophobicContact CB-CD1 3.99Å; P624-L675 HydrophobicContact CG-CD1 3.8Å; F671-L675 HydrophobicContact CD1-CD1 3.68Å; F671-L675 HydrophobicContact CD1-CG 3.9Å; F671-L675 HydrophobicContact CE1-CD1 3.85Å; F671-L675 HydrophobicContact CE1-CD2 4.26Å; F671-L675 HydrophobicContact CE1-CG 3.98Å; F671-L675 PolarHBondContact O-N 2.78Å; M672-L675 PolarHBondContact O-N 2.91Å; L675-N677 VanDerWaalsContact C-N 3.27Å; L675-N677 PolarHBondContact O-N 2.92Å
676	K	93.1	Very high	92.8	Very high	133 Å²	133	55.3 Å²	55.3	58%	0.578	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.9	175.6	-74.9	-176.9	173	-176.5	0	113.7	M672 I674	M672-K676 HydrophobicContact CG-CD 4.05Å; M672-K676 HydrophobicContact CG-CG 4.38Å; M672-K676 WeakPolarHBondContact O-CB 3.49Å; M672-K676 WeakPolarHBondContact O-CG 3.36Å; M672-K676 PolarHBondContact O-N 3.1Å; M672-K676 HydrophobicContact SD-CD 3.99Å; M672-K676 VanDerWaalsContact SD-CE 3.57Å; M672-K676 HydrophobicContact SD-CG 3.91Å; I674-K676 VanDerWaalsContact C-N 3.34Å; I674-K676 PolarHBondContact O-N 2.74Å
677	N	93.3	Very high	92.7	Very high	48 Å²	48	56 Å²	56	26%	0.257	28%	0.282	S	S	.	.	S	Bend	trans	-82.4	126.5	-177.3	-166.3	-59.6	0	0	0	111.9	S673 I674 L675 R679 S680 W694	S673-N677 PolarHBondContact O-N 2.95Å; I674-N677 WeakPolarHBondContact O-CB 3.34Å; I674-N677 PolarHBondContact O-N 3.23Å; I674-N677 VanDerWaalsContact O-N 3.11Å; L675-N677 VanDerWaalsContact C-N 3.27Å; L675-N677 PolarHBondContact O-N 2.92Å; N677-R679 PolarHBondContact O-N 3.29Å; N677-R679 WeakPolarHBondContact OD1-CB 3.41Å; N677-R679 WeakPolarHBondContact OD1-CG 3.31Å; N677-R679 PolarHBondContact OD1-N 2.7Å; N677-S680 PolarHBondContact O-N 2.67Å; N677-S680 PolarHBondContact O-OG 2.71Å; N677-S680 VanDerWaalsContact O-OG 3.07Å; N677-W694 HydrophobicContact CB-CH2 3.8Å; N677-W694 HydrophobicContact CB-CZ2 3.62Å
678	P	90.9	Very high	92.4	Very high	113 Å²	113	56.3 Å²	56.3	73%	0.734	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-55.5	-23.5	179.6	-28.5	36.1	0	0	0	115.6	S680	P678-S680 VanDerWaalsContact C-N 3.3Å; P678-S680 PolarHBondContact O-N 2.83Å
679	R	90.1	Very high	92	Very high	188 Å²	188	57.7 Å²	57.7	71%	0.709	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.2	-22	177.9	-63.9	177	-179.4	169.2	-0.5	113.9	N677 W694 L696	N677-R679 PolarHBondContact O-N 3.29Å; N677-R679 WeakPolarHBondContact OD1-CB 3.41Å; N677-R679 WeakPolarHBondContact OD1-CG 3.31Å; N677-R679 PolarHBondContact OD1-N 2.7Å; R679-W694 HydrophobicContact CB-CH2 4.16Å; R679-L696 HydrophobicContact CB-CD1 4.46Å; R679-L696 WeakPolarHBondContact O-CD1 3.35Å
680	S	89.6	Confident	91.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-97.5	-6.1	-171.8	75	0	0	0	0	114	R620 I674 N677 P678 D682 V683	R620-S680 PolarHBondContact NH1-O 3.49Å; R620-S680 VanDerWaalsContact NH2-C 3.29Å; R620-S680 PolarHBondContact NH2-O 3.05Å; R620-S680 PolarHBondContact NH2-OG 3.5Å; I674-S680 WeakPolarHBondContact O-CB 3.09Å; I674-S680 PolarHBondContact O-OG 2.77Å; N677-S680 PolarHBondContact O-N 2.67Å; N677-S680 PolarHBondContact O-OG 2.71Å; N677-S680 VanDerWaalsContact O-OG 3.07Å; P678-S680 VanDerWaalsContact C-N 3.3Å; P678-S680 PolarHBondContact O-N 2.83Å; S680-D682 PolarHBondContact O-N 3.29Å; S680-V683 PolarHBondContact O-N 3.29Å; S680-V683 VanDerWaalsContact O-N 3.11Å
681	V	88.2	Confident	90.5	Very high	79 Å²	79	60.6 Å²	60.6	48%	0.479	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-51.5	-165.5	174.7	0	0	0	0	112.7	R620 V683	R620-V681 PolarHBondContact NH1-O 3.4Å; V681-V683 VanDerWaalsContact C-N 3.29Å; V681-V683 PolarHBondContact O-N 3.16Å
682	D	85.8	Confident	89.8	Confident	160 Å²	160	60.3 Å²	60.3	86%	0.856	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	13.1	-177	-54.8	-50.4	0	0	0	113.1	S680	S680-D682 PolarHBondContact O-N 3.29Å
683	V	90.7	Very high	89.4	Confident	37 Å²	37	63.9 Å²	63.9	22%	0.224	33%	0.332	C	S	.	.			trans	-117.1	130.5	-171.1	-179.6	0	0	0	0	111.3	R620 S680 V681 F685 L696	R620-V683 PolarHBondContact NH1-O 3.3Å; S680-V683 PolarHBondContact O-N 3.29Å; S680-V683 VanDerWaalsContact O-N 3.11Å; V681-V683 VanDerWaalsContact C-N 3.29Å; V681-V683 PolarHBondContact O-N 3.16Å; V683-F685 WeakPolarHBondContact CG1-O 3.45Å; V683-L696 HydrophobicContact CB-CD2 4.34Å; V683-L696 HydrophobicContact CG1-CD2 4.21Å; V683-L696 HydrophobicContact CG2-CD2 4.12Å
684	E	93	Very high	89.1	Confident	108 Å²	108	63.7 Å²	63.7	51%	0.505	32%	0.322	S	S	.	.	S	Bend	trans	-86.3	-29.4	179.6	-61.2	-172.8	162.6	0	0	113.5	C611 L612 L613	C611-E684 CarbonylContact C-O 3.45Å; C611-E684 WeakPolarHBondContact CA-O 3.11Å; L612-E684 PolarHBondContact N-O 2.96Å; L613-E684 HydrophobicContact CD1-CB 4.33Å; L613-E684 HydrophobicContact CD1-CG 4.02Å; L613-E684 HydrophobicContact CD2-CG 4.35Å; L613-E684 HydrophobicContact CG-CB 4.32Å; L613-E684 HydrophobicContact CG-CG 4.25Å
685	F	92.4	Very high	88.8	Confident	98 Å²	98	67.4 Å²	67.4	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.9	-175.5	-66.9	-91.2	0	0	0	112.3	V610 C611 V683	V610-F685 WeakPolarHBondContact O-CA 3.43Å; C611-F685 HydrophobicContact CB-CD1 3.93Å; C611-F685 HydrophobicContact CB-CE1 3.63Å; C611-F685 HydrophobicContact CB-CZ 4.26Å; V683-F685 WeakPolarHBondContact CG1-O 3.45Å
686	V	93.2	Very high	88.3	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.8	170.5	-66.1	0	0	0	0	110.1	P609 V610 L612 I674 L688 W694 L696	P609-V686 CarbonylContact C-O 3.49Å; P609-V686 WeakPolarHBondContact CA-O 3.39Å; V610-V686 HydrophobicContact CB-CG2 4.34Å; V610-V686 PolarHBondContact N-O 2.81Å; V610-V686 PolarHBondContact O-N 2.85Å; L612-V686 HydrophobicContact CD1-CG1 3.97Å; L612-V686 HydrophobicContact CD2-CG2 4.07Å; L612-V686 HydrophobicContact CG-CG1 4.45Å; L612-V686 HydrophobicContact CG-CG2 4.46Å; I674-V686 HydrophobicContact CD1-CG2 4.48Å; I674-V686 HydrophobicContact CG2-CG1 4.17Å; I674-V686 HydrophobicContact CG2-CG2 4.27Å; V686-L688 HydrophobicContact CG2-CD2 3.95Å; V686-W694 HydrophobicContact CB-CE3 4.46Å; V686-W694 HydrophobicContact CG1-CE3 3.97Å; V686-W694 HydrophobicContact CG1-CZ3 4.26Å; V686-L696 HydrophobicContact CG1-CD2 4.3Å
687	Q	91.4	Very high	87.2	Confident	22 Å²	22	67.3 Å²	67.3	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.8	175.7	-69.9	161.1	-72.2	0	0	108.3	Y607 W694 H695	Y607-Q687 HydrophobicContact CD2-CB 3.86Å; Y607-Q687 HydrophobicContact CD2-CG 3.61Å; Y607-Q687 HydrophobicContact CE2-CG 3.96Å; Y607-Q687 HydrophobicContact CG-CB 4.04Å; Y607-Q687 HydrophobicContact CG-CG 4.21Å; Y607-Q687 VanDerWaalsContact CZ-NE2 3.27Å; Q687-W694 CarbonylContact O-C 3.54Å; Q687-W694 VanDerWaalsContact O-CA 3.23Å; Q687-W694 WeakPolarHBondContact O-CA 3.37Å; Q687-H695 VanDerWaalsContact CB-CD2 3.49Å; Q687-H695 WeakPolarHBondContact CB-CD2 3.36Å; Q687-H695 WeakPolarHBondContact CB-NE2 3.43Å; Q687-H695 PolarHBondContact N-O 3.23Å; Q687-H695 PolarHBondContact O-N 3.48Å; Q687-H695 PolarHBondContact O-ND1 2.88Å; Q687-H695 PolarHBondContact OE1-CD2 2.96Å
688	L	90.8	Very high	85.4	Confident	5 Å²	5	68 Å²	68	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.3	-175.6	-50.6	-178.6	0	0	0	110.1	L582 Y607 I608 V610 F670 I674 V686 W694	L582-L688 HydrophobicContact CD1-CD1 4.28Å; L582-L688 HydrophobicContact CD2-CB 3.84Å; L582-L688 HydrophobicContact CD2-CD1 3.93Å; Y607-L688 CarbonylContact C-O 3.48Å; Y607-L688 WeakPolarHBondContact CA-O 3.32Å; I608-L688 PolarHBondContact N-O 3.45Å; I608-L688 PolarHBondContact O-N 3.29Å; V610-L688 HydrophobicContact CB-CD1 4.12Å; V610-L688 HydrophobicContact CB-CG 4.4Å; V610-L688 HydrophobicContact CG2-CD1 3.46Å; V610-L688 VanDerWaalsContact CG2-CD1 3.46Å; V610-L688 HydrophobicContact CG2-CG 4.04Å; F670-L688 HydrophobicContact CE1-CD1 4.05Å; F670-L688 HydrophobicContact CE1-CD2 4.06Å; F670-L688 HydrophobicContact CZ-CD2 4.25Å; I674-L688 HydrophobicContact CD1-CD2 3.73Å; V686-L688 HydrophobicContact CG2-CD2 3.95Å; L688-W694 HydrophobicContact CD2-CB 3.6Å
689	D	85.8	Confident	83.5	Confident	32 Å²	32	68 Å²	68	17%	0.171	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	176	-179.2	89.2	-18.5	0	0	0	113.6	N691 G692 D693	D689-N691 PolarHBondContact O-N 2.98Å; D689-N691 WeakPolarHBondContact OD1-CA 3.3Å; D689-N691 WeakPolarHBondContact OD1-CB 3.5Å; D689-N691 PolarHBondContact OD1-N 3.16Å; D689-N691 PolarHBondContact OD2-ND2 3.35Å; D689-G692 PolarHBondContact O-N 3.14Å; D689-G692 PolarHBondContact OD1-N 3.48Å; D689-D693 PolarHBondContact N-O 2.97Å; D689-D693 PolarHBondContact OD1-N 3.02Å
690	G	78.9	Confident	81.3	Confident	20 Å²	20	65.3 Å²	65.3	21%	0.206	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.6	176.5	0	0	0	0	0	116	K583 L586	K583-G690 WeakPolarHBondContact CB-O 3.19Å; K583-G690 WeakPolarHBondContact CG-O 3.16Å; L586-G690 VanDerWaalsContact CD1-CA 3.49Å
691	N	80.4	Confident	79.1	Confident	116 Å²	116	71.5 Å²	71.5	62%	0.62	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.3	175.7	-54.6	-65.4	0	0	0	112.1	D689	D689-N691 PolarHBondContact O-N 2.98Å; D689-N691 WeakPolarHBondContact OD1-CA 3.3Å; D689-N691 WeakPolarHBondContact OD1-CB 3.5Å; D689-N691 PolarHBondContact OD1-N 3.16Å; D689-N691 PolarHBondContact OD2-ND2 3.35Å
692	G	79.4	Confident	76.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.387	C	S	.	.	S	Bend	trans	83.3	23.4	-173	0	0	0	0	0	113.5	K579 F670 D689	K579-G692 WeakPolarHBondContact CE-O 3.4Å; K579-G692 PolarHBondContact NZ-O 2.9Å; F670-G692 VanDerWaalsContact CE2-O 3.25Å; F670-G692 WeakPolarHBondContact CE2-O 3.31Å; D689-G692 PolarHBondContact O-N 3.14Å; D689-G692 PolarHBondContact OD1-N 3.48Å
693	D	86.9	Confident	73.9	Confident	103 Å²	103	69.1 Å²	69.1	55%	0.551	38%	0.377	S	S	*	.			trans	-91	166.2	160.5	-77.6	-38.7	0	0	0	109.9	D689	D689-D693 PolarHBondContact N-O 2.97Å; D689-D693 PolarHBondContact OD1-N 3.02Å
694	W	88.6	Confident	71	Confident	53 Å²	53	73.5 Å²	73.5	20%	0.201	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.4	-176.5	59.8	-87.9	0	0	0	112.6	I674 N677 R679 V686 Q687 L688 L696	I674-W694 HydrophobicContact CD1-CG 4.34Å; I674-W694 HydrophobicContact CG1-CD2 4.25Å; I674-W694 HydrophobicContact CG1-CG 4.15Å; I674-W694 HydrophobicContact CG2-CD2 4.26Å; I674-W694 HydrophobicContact CG2-CE3 4.36Å; I674-W694 HydrophobicContact CG2-CH2 4.38Å; I674-W694 HydrophobicContact CG2-CZ2 4.28Å; I674-W694 HydrophobicContact CG2-CZ3 4.42Å; N677-W694 HydrophobicContact CB-CH2 3.8Å; N677-W694 HydrophobicContact CB-CZ2 3.62Å; R679-W694 HydrophobicContact CB-CH2 4.16Å; V686-W694 HydrophobicContact CB-CE3 4.46Å; V686-W694 HydrophobicContact CG1-CE3 3.97Å; V686-W694 HydrophobicContact CG1-CZ3 4.26Å; Q687-W694 CarbonylContact O-C 3.54Å; Q687-W694 VanDerWaalsContact O-CA 3.23Å; Q687-W694 WeakPolarHBondContact O-CA 3.37Å; L688-W694 HydrophobicContact CD2-CB 3.6Å; W694-L696 HydrophobicContact CE3-CD2 4.43Å; W694-L696 HydrophobicContact CZ3-CD2 3.77Å
695	H	87.4	Confident	67.9	Low	79 Å²	79	76.1 Å²	76.1	37%	0.366	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.5	177.3	44.7	-73.3	0	0	0	111.1	Q687	Q687-H695 VanDerWaalsContact CB-CD2 3.49Å; Q687-H695 WeakPolarHBondContact CB-CD2 3.36Å; Q687-H695 WeakPolarHBondContact CB-NE2 3.43Å; Q687-H695 PolarHBondContact N-O 3.23Å; Q687-H695 PolarHBondContact O-N 3.48Å; Q687-H695 PolarHBondContact O-ND1 2.88Å; Q687-H695 PolarHBondContact OE1-CD2 2.96Å
696	L	85.1	Confident	65.2	Low	65 Å²	65	76.2 Å²	76.2	34%	0.34	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135	169	-58.6	-179.1	0	0	0	107.8	R679 V683 V686 W694 N698	R679-L696 HydrophobicContact CB-CD1 4.46Å; R679-L696 WeakPolarHBondContact O-CD1 3.35Å; V683-L696 HydrophobicContact CB-CD2 4.34Å; V683-L696 HydrophobicContact CG1-CD2 4.21Å; V683-L696 HydrophobicContact CG2-CD2 4.12Å; V686-L696 HydrophobicContact CG1-CD2 4.3Å; W694-L696 HydrophobicContact CE3-CD2 4.43Å; W694-L696 HydrophobicContact CZ3-CD2 3.77Å; L696-N698 VanDerWaalsContact C-N 3.29Å; L696-N698 PolarHBondContact O-N 3.5Å
697	N	68.7	Low	62.4	Low	87 Å²	87	81.5 Å²	81.5	47%	0.465	47%	0.473	S	S	.	.			trans	-69.7	89.4	169.3	-176.5	14.1	0	0	0	109	P699	N697-P699 WeakPolarHBondContact O-CD 3.45Å
698	N	55.5	Low	59.7	Low	63 Å²	63	89.4 Å²	89.4	34%	0.337	51%	0.507	S	S	.	.			trans	-77.6	114.9	-176.8	-175.5	10.4	0	0	0	109.4	L696 N700 D701	L696-N698 VanDerWaalsContact C-N 3.29Å; L696-N698 PolarHBondContact O-N 3.5Å; N698-N700 PolarHBondContact O-N 2.79Å; N698-N700 PolarHBondContact OD1-ND2 3.38Å; N698-D701 HydrophobicContact CB-CB 4.42Å; N698-D701 WeakPolarHBondContact CB-OD2 3.27Å; N698-D701 VanDerWaalsContact ND2-CG 3.32Å; N698-D701 PolarHBondContact ND2-OD2 3.12Å; N698-D701 PolarHBondContact O-N 3.33Å
699	P	52.6	Low	57	Low	111 Å²	111	96.4 Å²	96.4	72%	0.721	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	8.6	-177	29.5	-36.8	0	0	0	114.4	N697	N697-P699 WeakPolarHBondContact O-CD 3.45Å
700	N	42.8	Very low	54.5	Low	133 Å²	133	99.9 Å²	99.9	71%	0.711	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	-9.5	-178.2	-53.9	-76.4	0	0	0	114.2	N698	N698-N700 PolarHBondContact O-N 2.79Å; N698-N700 PolarHBondContact OD1-ND2 3.38Å
701	D	43.4	Very low	52.3	Low	130 Å²	130	107.5 Å²	107.5	70%	0.695	60%	0.596	S	S	*	*			trans	-96.7	3.9	-176.7	-73.5	-35.8	0	0	0	113.8	N698 S703	N698-D701 HydrophobicContact CB-CB 4.42Å; N698-D701 WeakPolarHBondContact CB-OD2 3.27Å; N698-D701 VanDerWaalsContact ND2-CG 3.32Å; N698-D701 PolarHBondContact ND2-OD2 3.12Å; N698-D701 PolarHBondContact O-N 3.33Å; D701-S703 PolarHBondContact O-N 3.42Å
702	V	34.2	Very low	50.1	Low	98 Å²	98	106.7 Å²	106.7	59%	0.594	60%	0.6	S	S	*	*			trans	-82.2	107.8	176.9	179.3	0	0	0	0	110.1
703	S	30.8	Very low	48.1	Very low	91 Å²	91	114.4 Å²	114.4	64%	0.636	64%	0.641	S	S	*	*			trans	-61.6	139.1	162	56.1	0	0	0	0	109.3	D701 N705	D701-S703 PolarHBondContact O-N 3.42Å; S703-N705 VanDerWaalsContact C-N 3.29Å; S703-N705 PolarHBondContact O-N 3.26Å
704	P	29.2	Very low	45.7	Very low	129 Å²	129	118.2 Å²	118.2	84%	0.838	66%	0.655	S	S	*	*	S	Bend	trans	-79.7	71.8	-164.8	32	-37.3	0	0	0	112.3
705	N	29.5	Very low	43.2	Very low	163 Å²	163	120.3 Å²	120.3	87%	0.872	68%	0.684	S	S	*	*			trans	-154.3	33.4	-177	-115.7	5.6	0	0	0	116.3	S703	S703-N705 VanDerWaalsContact C-N 3.29Å; S703-N705 PolarHBondContact O-N 3.26Å
706	S	34	Very low	40.8	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	71%	0.71	S	S	*	*			trans	-140.3	134.3	156	67.2	0	0	0	0	111
707	S	34.8	Very low	38.2	Very low	112 Å²	112	129 Å²	129	78%	0.783	73%	0.733	S	S	*	*			trans	-96.7	111.3	-168.6	54.9	0	0	0	0	112.1	I709	S707-I709 PolarHBondContact O-N 2.73Å
708	F	34	Very low	36.6	Very low	188 Å²	188	133.4 Å²	133.4	83%	0.825	75%	0.75	S	S	*	*			trans	-56.9	127.8	162.2	-84.6	-108	0	0	0	110.6
709	I	35.5	Very low	35.6	Very low	152 Å²	152	136.5 Å²	136.5	78%	0.779	76%	0.763	S	S	*	*			trans	-94.9	99.4	157.1	-60.4	-178.1	0	0	0	107.6	S707 E711	S707-I709 PolarHBondContact O-N 2.73Å; I709-E711 HydrophobicContact CG2-CG 4.5Å
710	T	32.3	Very low	34.6	Very low	106 Å²	106	141.4 Å²	141.4	65%	0.65	77%	0.767	S	S	*	*			trans	-140.3	89.8	164.6	-57.1	0	0	0	0	106.4	S712	T710-S712 PolarHBondContact O-N 3.2Å
711	E	33.8	Very low	33.8	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	77%	0.771	S	S	*	*			trans	-67.3	105.6	-173.4	-68.9	-159.6	130.2	0	0	111.4	I709	I709-E711 HydrophobicContact CG2-CG 4.5Å
712	S	33.7	Very low	33.4	Very low	99 Å²	99	143 Å²	143	69%	0.692	78%	0.78	S	S	*	*			trans	-126.6	106.8	167.4	49.4	0	0	0	0	108.5	T710	T710-S712 PolarHBondContact O-N 3.2Å
713	N	37.9	Very low	33.1	Very low	162 Å²	162	146.4 Å²	146.4	87%	0.866	79%	0.79	S	S	*	*			trans	-79.5	130.8	-174	-99.1	-63.4	0	0	0	112
714	Q	36.3	Very low	33	Very low	183 Å²	183	148.6 Å²	148.6	86%	0.855	79%	0.79	S	S	*	*			trans	-87.9	149.2	-169.8	-58.8	174.7	-4.5	0	0	113.7
715	A	36.6	Very low	33.2	Very low	97 Å²	97	149.3 Å²	149.3	80%	0.802	79%	0.791	S	S	*	*			trans	-141	47.8	172.3	0	0	0	0	0	116.6
716	K	36	Very low	33.2	Very low	210 Å²	210	149.1 Å²	149.1	91%	0.913	78%	0.783	S	S	*	*			trans	67.2	155.4	145.5	-69.3	-179.6	175	177.2	0	121.7
717	S	31.6	Very low	33.1	Very low	117 Å²	117	149 Å²	149	82%	0.818	79%	0.788	S	S	*	*			trans	-107.9	152.8	-172.9	51.2	0	0	0	0	114.1
718	E	34.8	Very low	33	Very low	178 Å²	178	148.7 Å²	148.7	83%	0.832	79%	0.786	S	S	*	*			trans	-160.8	145.4	156.6	-99.3	176.5	-158.6	0	0	107.1
719	Q	34	Very low	32.9	Very low	129 Å²	129	148 Å²	148	60%	0.603	79%	0.789	S	S	*	*			cis	-170.2	152.6	-20.5	-140.5	179.7	59.7	0	0	109.6
720	R	32	Very low	32.5	Very low	214 Å²	214	146.6 Å²	146.6	81%	0.808	79%	0.788	S	S	*	*			trans	91.2	144	156.3	-58.6	163.4	-163	-153.8	0.9	121.3
721	N	26.3	Very low	32.4	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	79%	0.792	S	S	*	*			trans	-95.9	163.3	-177.6	-34	-17.5	0	0	0	111.9
722	V	33.8	Very low	32.2	Very low	147 Å²	147	146.4 Å²	146.4	89%	0.891	78%	0.783	S	S	*	*			trans	-145.7	148.9	133.9	-177.7	0	0	0	0	108.2
723	E	29	Very low	32.1	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	78%	0.778	S	S	*	*			trans	-100.2	164.7	-176.1	-67.8	163.7	103.4	0	0	114.4
724	E	28.3	Very low	31.8	Very low	137 Å²	137	147.6 Å²	147.6	64%	0.64	77%	0.77	S	S	*	*			trans	38.3	134	144.1	-179.2	162.3	-126.1	0	0	122.5	K726	E724-K726 IonicContact OE1-NZ 2.74Å; E724-K726 PolarHBondContact OE1-NZ 3.22Å
725	V	33.1	Very low	31.6	Very low	144 Å²	144	145.7 Å²	145.7	87%	0.873	77%	0.766	S	S	*	*				-156.8	145.1	127.1	142.9	0	0	0	0	110
726	K	30.2	Very low	31.4	Very low	160 Å²	160	145.2 Å²	145.2	70%	0.696	76%	0.762	S	S	*	*			trans	-104.6	145.6	179.5	-53.8	179.3	178.4	76.9	0	113.1	E724	E724-K726 IonicContact OE1-NZ 2.74Å; E724-K726 PolarHBondContact OE1-NZ 3.22Å
727	A	31.2	Very low	31.4	Very low	96 Å²	96	141.8 Å²	141.8	79%	0.793	76%	0.761	S	S	*	*			trans	-169.7	124.9	141	0	0	0	0	0	108.2
728	S	32.5	Very low	31.2	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	76%	0.756	S	S	*	*			cis	79.4	110	41.2	-57.3	0	0	0	0	114.6
729	I	32.1	Very low	31.2	Very low	173 Å²	173	143.3 Å²	143.3	89%	0.887	76%	0.759	S	S	*	*			trans	-170.8	153.9	131.7	-94.8	152.5	0	0	0	108.6
730	T	26.4	Very low	31.1	Very low	124 Å²	124	145.4 Å²	145.4	76%	0.761	77%	0.767	S	S	*	*			trans	-129.2	178.9	-161.6	-44.4	0	0	0	0	111.1
731	L	31.6	Very low	31.2	Very low	142 Å²	142	140.9 Å²	140.9	74%	0.743	77%	0.767	S	S	*	*			trans	120.9	108.5	158.3	-62.8	168.3	0	0	0	112.4
732	E	29.3	Very low	31.5	Very low	139 Å²	139	143.3 Å²	143.3	65%	0.65	77%	0.771	S	S	*	*				79.2	142.1	83.7	-75.4	-161.3	171.7	0	0	113.1
733	K	30.7	Very low	31.3	Very low	136 Å²	136	143.1 Å²	143.1	59%	0.591	76%	0.764	S	S	*	*			cis	-172.7	177.3	-6.6	-120.1	173.4	-170.2	155.1	0	108.9
734	H	31.9	Very low	31.3	Very low	150 Å²	150	140.3 Å²	140.3	69%	0.694	76%	0.759	S	S	*	*			trans	66.4	150.1	161	-67.8	-65.9	0	0	0	116.5
735	D	32.5	Very low	31.4	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	77%	0.765	S	S	*	*			cis	-150.5	171.9	-5.8	-114.6	-23.9	0	0	0	111.4
736	A	32.5	Very low	31.5	Very low	87 Å²	87	137.9 Å²	137.9	72%	0.719	75%	0.75	S	S	*	*			trans	-129.4	159.8	172	0	0	0	0	0	111.3
737	P	35.9	Very low	31.9	Very low	137 Å²	137	138.5 Å²	138.5	89%	0.89	75%	0.753	S	S	*	*			trans	-125.9	169	142.7	36.8	-28.2	0	0	0	113.3
738	N	27.3	Very low	32.3	Very low	132 Å²	132	139 Å²	139	71%	0.706	75%	0.75	S	S	*	*			trans	-142	135.1	-169.7	165.8	14.4	0	0	0	107.5
739	E	34.9	Very low	32.3	Very low	195 Å²	195	139.7 Å²	139.7	91%	0.911	75%	0.746	S	S	*	*			trans	-140.3	148.8	173	-144.8	165.6	-133	0	0	112.8
740	K	30.9	Very low	32.5	Very low	174 Å²	174	139 Å²	139	76%	0.757	74%	0.739	S	S	*	*			trans	-136.6	124.8	-165	-61.9	176.1	-178.2	173.4	0	112.9
741	S	35.5	Very low	32.9	Very low	118 Å²	118	137.5 Å²	137.5	83%	0.825	73%	0.734	S	S	*	*			trans	-165.6	130.6	150	40.5	0	0	0	0	107.8
742	K	31.4	Very low	33	Very low	199 Å²	199	138.9 Å²	138.9	87%	0.865	74%	0.736	S	S	*	*			cis	88.2	124	29	-164.2	-171.2	179.7	-173.6	0	113.5
743	L	31.2	Very low	32.9	Very low	144 Å²	144	137 Å²	137	75%	0.754	74%	0.735	S	S	*	*			trans	104.4	87.5	155.5	-153.9	67.5	0	0	0	118.9
744	T	27.4	Very low	33	Very low	110 Å²	110	137.8 Å²	137.8	68%	0.675	75%	0.745	S	S	*	*			trans	37.4	165.7	131.3	58.8	0	0	0	0	124.4
745	T	30.1	Very low	32.8	Very low	124 Å²	124	137 Å²	137	76%	0.761	75%	0.751	S	S	*	*			trans	72.3	145.9	166.9	35.9	0	0	0	0	116.2
746	D	35.4	Very low	32.9	Very low	106 Å²	106	137 Å²	137	57%	0.567	76%	0.756	S	S	*	*			cis	-160.5	154.3	5.2	-133.5	-21.1	0	0	0	112
747	K	38.7	Very low	32.8	Very low	174 Å²	174	140 Å²	140	76%	0.757	76%	0.76	S	S	*	*			trans	44.1	160.2	153.6	-64.3	143.7	-167.9	154.4	0	119.8
748	S	39.2	Very low	32.9	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	76%	0.756	S	S	*	*			cis	-161.1	178.9	2.9	17.7	0	0	0	0	106.6
749	N	34	Very low	33.2	Very low	120 Å²	120	139.8 Å²	139.8	64%	0.642	76%	0.756	S	S	*	*			cis	-150.4	162.8	1.3	-122.3	29.5	0	0	0	108.1
750	E	36.7	Very low	33.2	Very low	159 Å²	159	137.2 Å²	137.2	74%	0.743	75%	0.748	S	S	*	*				50.1	135.8	84.5	-50.8	-177.2	161.3	0	0	116.4
751	S	33.9	Very low	33.4	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	75%	0.746	S	S	*	*			cis	-167.8	169.9	-9.8	49.2	0	0	0	0	111.6
752	E	34.4	Very low	33.3	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	74%	0.742	S	S	*	*			trans	32.7	155.1	137.6	-64.8	173.1	-155.1	0	0	122.8
753	T	27.3	Very low	33.3	Very low	101 Å²	101	133.1 Å²	133.1	62%	0.62	73%	0.731	S	S	*	*			cis	-167.9	-179.8	-12.8	30.8	0	0	0	0	108.3
754	N	32.1	Very low	33.4	Very low	152 Å²	152	132.7 Å²	132.7	81%	0.813	73%	0.73	S	S	*	*			trans	94.2	144.3	152.3	-55.5	-47	0	0	0	120.9
755	T	26.9	Very low	33.7	Very low	133 Å²	133	133.6 Å²	133.6	82%	0.816	74%	0.735	S	S	*	*			trans	-101.9	144	-178.1	49.7	0	0	0	0	112.3
756	V	36.3	Very low	33.6	Very low	145 Å²	145	133.4 Å²	133.4	88%	0.879	73%	0.734	S	S	*	*			trans	-147.4	143.8	149.7	-163.4	0	0	0	0	109.3
757	D	29	Very low	33.4	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	75%	0.748	S	S	*	*			trans	-67.5	167	167.8	-59.9	-86.1	0	0	0	113.3
758	V	38.1	Very low	32.9	Very low	134 Å²	134	137.8 Å²	137.8	81%	0.812	75%	0.754	S	S	*	*				169.3	141.2	117	154.5	0	0	0	0	111.6
759	N	33.4	Very low	32.6	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	76%	0.76	S	S	*	*			trans	-65.4	146.5	178.9	-41.3	-79.9	0	0	0	113.8
760	N	34.6	Very low	32.3	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	76%	0.763	S	S	*	*				171.1	151.4	101	-90.9	-41.5	0	0	0	114.8
761	T	35.1	Very low	32.2	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	77%	0.77	S	S	*	*			trans	13.7	143.2	146.7	68	0	0	0	0	119.6
762	H	34	Very low	32	Very low	158 Å²	158	141.7 Å²	141.7	73%	0.731	77%	0.773	S	S	*	*			cis	-178.7	143.4	49.8	-167.6	-107.9	0	0	0	112.6
763	M	32.3	Very low	32	Very low	131 Å²	131	141.6 Å²	141.6	65%	0.645	78%	0.778	S	S	*	*			trans	32.4	140.8	157.7	-56.9	-55.9	-170.4	0	0	124.6
764	D	32.4	Very low	32.3	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	78%	0.783	S	S	*	*			trans	36	138.4	131.6	-46.1	-18.5	0	0	0	120.2
765	T	33.4	Very low	32.3	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	79%	0.787	S	S	*	*			cis	-161.4	157.2	48.1	-46.1	0	0	0	0	113.2
766	T	28.6	Very low	32.4	Very low	119 Å²	119	145.3 Å²	145.3	73%	0.73	78%	0.784	S	S	*	*			trans	-35.6	139.7	167.5	-26.5	0	0	0	0	117.4
767	E	31.8	Very low	32.1	Very low	187 Å²	187	144.7 Å²	144.7	87%	0.874	78%	0.781	S	S	*	*				172.3	172.6	112.5	-94.5	-178.6	-168	0	0	115.3
768	Q	28.1	Very low	32.1	Very low	185 Å²	185	144.4 Å²	144.4	86%	0.864	78%	0.778	S	S	*	*			trans	-91.3	143.9	-162.4	-54.4	163.8	-26.1	0	0	113.9
769	V	33.1	Very low	31.9	Very low	145 Å²	145	143.3 Å²	143.3	88%	0.879	78%	0.776	S	S	*	*			trans	-145.6	145.5	141.4	-176.7	0	0	0	0	109.5
770	T	27.4	Very low	31.6	Very low	113 Å²	113	143.8 Å²	143.8	69%	0.693	78%	0.779	S	S	*	*			trans	-80.8	157.6	178.4	48.6	0	0	0	0	114.2
771	N	34	Very low	31.6	Very low	167 Å²	167	144.8 Å²	144.8	89%	0.893	78%	0.784	S	S	*	*			trans	-159.9	131.7	141.6	-102.7	-29.2	0	0	0	111.3
772	D	30.3	Very low	31.2	Very low	135 Å²	135	145.7 Å²	145.7	72%	0.722	79%	0.785	S	S	*	*			trans	-84.6	154.2	175.4	-62.5	-77	0	0	0	112.1
773	N	33.7	Very low	31.2	Very low	168 Å²	168	146.7 Å²	146.7	90%	0.898	79%	0.789	S	S	*	*				-166.1	150	118.5	-105.5	-65.8	0	0	0	112.1
774	Q	33.1	Very low	31	Very low	155 Å²	155	149.1 Å²	149.1	72%	0.724	79%	0.793	S	S	*	*			trans	-98.5	154.7	-176	-60.2	174.8	3.3	0	0	111.5
775	N	32.3	Very low	30.9	Very low	167 Å²	167	151.3 Å²	151.3	89%	0.893	80%	0.799	S	S	*	*			trans	-149.6	117.9	147.3	-99.9	-42.4	0	0	0	109.4
776	N	28.8	Very low	30.9	Very low	141 Å²	141	152.3 Å²	152.3	75%	0.754	80%	0.798	S	S	*	*			trans	-92	136.1	178.8	-91.4	-35.1	0	0	0	110.7
777	T	30.7	Very low	30.8	Very low	133 Å²	133	153.7 Å²	153.7	82%	0.816	80%	0.797	S	S	*	*			trans	-124.1	118.8	161.3	-50.3	0	0	0	0	108.4
778	I	29.5	Very low	31	Very low	142 Å²	142	149.1 Å²	149.1	73%	0.728	78%	0.783	S	S	*	*			trans	-87.1	120.3	-174	-62.2	171.1	0	0	0	109.8
779	S	33.8	Very low	31.1	Very low	111 Å²	111	149.2 Å²	149.2	78%	0.776	78%	0.784	S	S	*	*			trans	-116.7	90.4	173	-65	0	0	0	0	110	N781	S779-N781 PolarHBondContact O-N 2.85Å
780	N	27.5	Very low	31.1	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	77%	0.766	S	S	*	*			trans	-64.5	128	171.3	-75.6	-22	0	0	0	110.1
781	N	33.4	Very low	31.3	Very low	163 Å²	163	148 Å²	148	87%	0.872	77%	0.769	S	S	*	*			trans	-150.8	120.7	156.4	-106.3	-29.9	0	0	0	110.3	S779	S779-N781 PolarHBondContact O-N 2.85Å
782	N	28.1	Very low	31.2	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	75%	0.747	S	S	*	*			trans	-76.7	124.2	177.9	-62.1	-40.9	0	0	0	109.2	Y784	N782-Y784 HydrophobicContact CB-CD2 4.26Å; N782-Y784 HydrophobicContact CB-CE2 3.98Å
783	H	32.9	Very low	31.3	Very low	178 Å²	178	144.1 Å²	144.1	82%	0.824	75%	0.747	S	S	*	*			trans	-114.6	95.2	168.8	-153.9	58.6	0	0	0	110.2	Q785	H783-Q785 PolarHBondContact O-N 3.35Å; H783-Q785 VanDerWaalsContact O-N 3.1Å
784	Y	28.2	Very low	31.2	Very low	183 Å²	183	139.5 Å²	139.5	72%	0.718	73%	0.728	S	S	*	*			trans	-71.7	99.2	175.6	-75.1	-88	0	0	0	109.7	N782 L786	N782-Y784 HydrophobicContact CB-CD2 4.26Å; N782-Y784 HydrophobicContact CB-CE2 3.98Å; Y784-L786 PolarHBondContact O-N 3.08Å
785	Q	29.7	Very low	31.4	Very low	181 Å²	181	138 Å²	138	85%	0.846	72%	0.724	S	S	*	*			trans	-78.7	72.1	175.3	-163.4	168.4	30.5	0	0	110.3	H783 E787	H783-Q785 PolarHBondContact O-N 3.35Å; H783-Q785 VanDerWaalsContact O-N 3.1Å; Q785-E787 PolarHBondContact O-N 3.06Å
786	L	33.3	Very low	31.9	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-65.3	116.8	172.1	-75.3	163.5	0	0	0	109.3	Y784 P788	Y784-L786 PolarHBondContact O-N 3.08Å; L786-P788 WeakPolarHBondContact O-CD 3.16Å
787	E	28	Very low	32.4	Very low	148 Å²	148	136.3 Å²	136.3	69%	0.692	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-70.2	124.7	167.8	-66.6	-160.3	108.6	0	0	108.8	R647 Q785 E789	R647-E787 IonicContact NH2-OE1 2.74Å; Q785-E787 PolarHBondContact O-N 3.06Å; E787-E789 PolarHBondContact O-N 3.39Å
788	P	35.1	Very low	33	Very low	91 Å²	91	137.8 Å²	137.8	59%	0.591	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.4	121.5	169.5	27.4	-32.2	0	0	0	108.8	L786 V790	L786-P788 WeakPolarHBondContact O-CD 3.16Å; P788-V790 VanDerWaalsContact C-N 3.25Å; P788-V790 HydrophobicContact CB-CG2 4.48Å; P788-V790 PolarHBondContact O-N 3.44Å
789	E	30.4	Very low	33.5	Very low	187 Å²	187	137.9 Å²	137.9	87%	0.874	72%	0.72	S	S	*	*			trans	-73.7	81.8	174.3	-171.8	160.3	-141.9	0	0	109.4	E787 I791	E787-E789 PolarHBondContact O-N 3.39Å; E789-I791 PolarHBondContact O-N 2.79Å
790	V	32.5	Very low	33.8	Very low	85 Å²	85	140.6 Å²	140.6	52%	0.515	73%	0.726	S	S	.	*			trans	-69.2	98.2	178.9	-179.4	0	0	0	0	108.8	P788 I792	P788-V790 VanDerWaalsContact C-N 3.25Å; P788-V790 HydrophobicContact CB-CG2 4.48Å; P788-V790 PolarHBondContact O-N 3.44Å; V790-I792 VanDerWaalsContact O-CG1 3.28Å; V790-I792 WeakPolarHBondContact O-CG1 3.4Å; V790-I792 PolarHBondContact O-N 2.9Å
791	I	32.2	Very low	34.1	Very low	147 Å²	147	139.5 Å²	139.5	75%	0.754	72%	0.72	S	S	*	*			trans	-55.1	121.3	167.8	-61	173.9	0	0	0	107.9	E789	E789-I791 PolarHBondContact O-N 2.79Å
792	I	31	Very low	34.4	Very low	85 Å²	85	139 Å²	139	44%	0.436	72%	0.718	S	S	.	*			trans	-99.3	101.6	-177.7	-53.7	-171.9	0	0	0	108.3	V790 S794	V790-I792 VanDerWaalsContact O-CG1 3.28Å; V790-I792 WeakPolarHBondContact O-CG1 3.4Å; V790-I792 PolarHBondContact O-N 2.9Å; I792-S794 PolarHBondContact O-N 3.42Å
793	L	32.9	Very low	34.6	Very low	136 Å²	136	138.5 Å²	138.5	71%	0.712	72%	0.715	S	S	*	*			trans	-61.7	122	161	-58.7	-179.9	0	0	0	108.3
794	S	32.1	Very low	34.6	Very low	71 Å²	71	135.3 Å²	135.3	50%	0.497	70%	0.704	S	S	.	*			trans	-83	113.3	166.3	43.3	0	0	0	0	108	I792 D796	I792-S794 PolarHBondContact O-N 3.42Å; S794-D796 PolarHBondContact O-N 3.34Å
795	D	37.4	Very low	34.9	Very low	122 Å²	122	131.6 Å²	131.6	65%	0.652	70%	0.7	S	S	*	*	S	Bend	trans	-72.8	69.1	171.9	-43	-72	0	0	0	109	R650	R650-D795 IonicContact CZ-OD2 3.39Å; R650-D795 IonicContact NH1-OD2 2.61Å; R650-D795 IonicContact NH2-OD2 3.72Å; R650-D795 PolarHBondContact NH2-OD2 2.81Å
796	D	41.5	Very low	34.9	Very low	136 Å²	136	131.3 Å²	131.3	73%	0.727	70%	0.696	S	S	*	*			trans	-132.2	17.7	-174.1	-83.3	-55.8	0	0	0	112.1	S794	S794-D796 PolarHBondContact O-N 3.34Å
797	D	40.9	Very low	34.6	Very low	138 Å²	138	132.9 Å²	132.9	74%	0.738	70%	0.7	S	S	*	*			trans	-103.4	79.4	-177.1	-65.4	-49	0	0	0	112.3	D799	D797-D799 PolarHBondContact O-N 2.79Å; D797-D799 VanDerWaalsContact O-N 3.16Å
798	D	41.8	Very low	34.8	Very low	163 Å²	163	130.6 Å²	130.6	87%	0.872	71%	0.706	S	S	*	*			trans	-76.5	84.6	166.9	-76.1	-43.6	0	0	0	110.1	D800	D798-D800 PolarHBondContact O-N 2.85Å
799	D	40.7	Very low	34.4	Very low	144 Å²	144	134.8 Å²	134.8	77%	0.77	72%	0.718	S	S	*	*			trans	-87.2	80.4	-169.7	-128.7	-1.2	0	0	0	113.9	D797 N801	D797-D799 PolarHBondContact O-N 2.79Å; D797-D799 VanDerWaalsContact O-N 3.16Å; D799-N801 VanDerWaalsContact C-N 3.35Å; D799-N801 PolarHBondContact O-N 3.19Å
800	D	39.5	Very low	34.3	Very low	168 Å²	168	131.7 Å²	131.7	90%	0.898	71%	0.712	S	S	*	*			trans	-68	78.3	173	-87.7	-34.6	0	0	0	112.4	D798 D802	D798-D800 PolarHBondContact O-N 2.85Å; D800-D802 PolarHBondContact O-N 2.8Å
801	N	35.3	Very low	34	Very low	118 Å²	118	134.6 Å²	134.6	63%	0.631	73%	0.725	S	S	*	*			trans	-94.8	80.5	-178.3	-167.7	-9.8	0	0	0	113.6	D799 N803	D799-N801 VanDerWaalsContact C-N 3.35Å; D799-N801 PolarHBondContact O-N 3.19Å; N801-N803 PolarHBondContact O-N 3.03Å; N801-N803 PolarHBondContact OD1-ND2 2.98Å
802	D	39.5	Very low	33.7	Very low	154 Å²	154	132.8 Å²	132.8	82%	0.824	72%	0.72	S	S	*	*			trans	-86.1	99.7	179.3	-159.8	8.8	0	0	0	111.7	D800	D800-D802 PolarHBondContact O-N 2.8Å
803	N	32.7	Very low	33.5	Very low	124 Å²	124	136.3 Å²	136.3	66%	0.663	74%	0.735	S	S	*	*			trans	-128.2	101.5	-167.6	-124.3	-52	0	0	0	114.1	N801	N801-N803 PolarHBondContact O-N 3.03Å; N801-N803 PolarHBondContact OD1-ND2 2.98Å
804	N	32.6	Very low	33.2	Very low	110 Å²	110	135.7 Å²	135.7	59%	0.588	73%	0.732	S	S	*	*			trans	-176.3	139.1	161.4	-104	-62	0	0	0	107.9
805	T	33.9	Very low	33.2	Very low	105 Å²	105	138.3 Å²	138.3	64%	0.644	74%	0.741	S	S	*	*			cis	-148.3	162	41.7	-55.5	0	0	0	0	111.4	R42	R42-T805 PolarHBondContact NH2-OG1 3.29Å
806	K	29.6	Very low	32.9	Very low	175 Å²	175	136.5 Å²	136.5	76%	0.761	74%	0.738	S	S	*	*			trans	-82.3	-179.3	-179.1	-59	175.1	179.1	173.8	0	114.1
807	E	28.1	Very low	32.3	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	74%	0.739	S	S	*	*			trans	95.5	161.7	153	-68.2	170.8	-150.4	0	0	120
808	A	32.2	Very low	31.8	Very low	100 Å²	100	135 Å²	135	83%	0.826	73%	0.73	S	S	*	*			trans	73.6	85.4	-179.9	0	0	0	0	0	118.1
809	E	26.4	Very low	31.5	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	72%	0.723	S	S	*	*			trans	-45	148.8	151.7	-53.6	169.7	149.8	0	0	111.3
810	T	28.4	Very low	31	Very low	121 Å²	121	133.4 Å²	133.4	74%	0.742	72%	0.721	S	S	*	*				-178.1	151.7	86	26.9	0	0	0	0	113
811	N	24.5	Very low	30.6	Very low	147 Å²	147	130.8 Å²	130.8	79%	0.786	71%	0.711	S	S	*	*			trans	18	147	140.7	-71.2	-18.3	0	0	0	122
812	V	26.1	Very low	30.2	Very low	109 Å²	109	128.1 Å²	128.1	66%	0.661	70%	0.696	S	S	*	*			cis	-175.3	-169.8	-17.9	93.2	0	0	0	0	107.5
813	Q	27.7	Very low	29.8	Very low	158 Å²	158	128.6 Å²	128.6	74%	0.738	69%	0.694	S	S	*	*			trans	82.3	112.5	158.2	-93.9	145.5	-4.2	0	0	120.6
814	N	27.2	Very low	29.4	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	70%	0.699	S	S	*	*				76.7	145.9	129.1	-64.9	34.8	0	0	0	119.9
815	D	30.6	Very low	29.3	Very low	126 Å²	126	128.7 Å²	128.7	67%	0.674	71%	0.708	S	S	*	*			cis	-156.3	128.5	-4	-113.8	-25.9	0	0	0	114.8
816	S	31.1	Very low	29	Very low	84 Å²	84	131.8 Å²	131.8	59%	0.587	72%	0.716	S	S	*	*			trans	69.4	144.1	132.9	86.2	0	0	0	0	124.5
817	N	30	Very low	29.1	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	72%	0.718	S	S	*	*			trans	71.3	143.2	142.8	-60.7	-20.9	0	0	0	120.1
818	D	30.9	Very low	29.1	Very low	102 Å²	102	127.3 Å²	127.3	55%	0.545	71%	0.71	S	S	.	*			cis	-167.8	154.7	-7.8	-136.2	-27.3	0	0	0	113.3
819	K	34.7	Very low	29.2	Very low	170 Å²	170	128.2 Å²	128.2	74%	0.739	70%	0.701	S	S	*	*			trans	50.9	168.3	151.1	-72.9	146.9	-165.2	153.3	0	123.1
820	S	29.5	Very low	29.4	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	69%	0.694	S	S	*	*				-173.2	-178.4	-55	56.1	0	0	0	0	111.9
821	V	31.9	Very low	29.6	Very low	114 Å²	114	128.7 Å²	128.7	69%	0.691	70%	0.696	S	S	*	*			trans	88.3	89.2	161.7	-161.9	0	0	0	0	121.8
822	N	27.8	Very low	29.7	Very low	61 Å²	61	130.4 Å²	130.4	33%	0.326	70%	0.697	S	S	.	*				43.1	154	106.9	-95	-75	0	0	0	125.7	K1071 V1072 N1073	N822-K1071 PolarHBondContact ND2-O 3.02Å; N822-V1072 WeakPolarHBondContact CA-O 3.42Å; N822-V1072 PolarHBondContact N-O 2.79Å; N822-V1072 PolarHBondContact ND2-O 3.24Å; N822-V1072 WeakPolarHBondContact OD1-CB 3.21Å; N822-V1072 WeakPolarHBondContact OD1-CG1 3.41Å; N822-N1073 PolarHBondContact N-O 3.44Å
823	Q	30.4	Very low	29.8	Very low	165 Å²	165	130.1 Å²	130.1	77%	0.771	70%	0.695	S	S	*	*			trans	90.3	165.5	149.2	-83.7	175	-5.3	0	0	123
824	C	23.8	Very low	29.9	Very low	115 Å²	115	128.4 Å²	128.4	78%	0.777	70%	0.696	S	S	*	*			trans	-150.4	151.4	-152.4	178.7	0	0	0	0	111.3
825	P	31.1	Very low	29.8	Very low	120 Å²	120	127.1 Å²	127.1	78%	0.779	70%	0.695	S	S	*	*			trans	-100.7	135.6	170.5	35.7	-29.4	0	0	0	114
826	Q	28.1	Very low	29.6	Very low	170 Å²	170	127 Å²	127	79%	0.794	69%	0.694	S	S	*	*			trans	-95.5	161.9	162.7	-66	176.8	-28.4	0	0	110.7
827	N	31.2	Very low	29.5	Very low	153 Å²	153	129.5 Å²	129.5	82%	0.818	70%	0.702	S	S	*	*			trans	-172.5	105.2	146.2	-87.6	-30.8	0	0	0	106.7
828	V	28.1	Very low	29.3	Very low	113 Å²	113	127.2 Å²	127.2	69%	0.685	70%	0.697	S	S	*	*				65.4	145.9	77.3	-57.6	0	0	0	0	116.3
829	D	33.6	Very low	29.3	Very low	119 Å²	119	129.6 Å²	129.6	64%	0.636	70%	0.704	S	S	*	*			trans	89	136.8	175	-73.4	9	0	0	0	118.9
830	K	31.9	Very low	28.9	Very low	158 Å²	158	129.2 Å²	129.2	69%	0.687	70%	0.703	S	S	*	*			cis	-166.5	175.7	-16.5	-123.6	176	-166.5	92.4	0	110.7
831	L	30.5	Very low	28.9	Very low	152 Å²	152	129.9 Å²	129.9	80%	0.796	70%	0.698	S	S	*	*			trans	75.5	133.7	170.4	-56.6	125.5	0	0	0	115.6
832	K	27.4	Very low	28.7	Very low	183 Å²	183	130.2 Å²	130.2	80%	0.796	70%	0.696	S	S	*	*			cis	79.7	138.8	39.5	-70.7	-166.1	170.7	-173.1	0	112.8
833	T	29	Very low	29	Very low	103 Å²	103	132.5 Å²	132.5	63%	0.632	71%	0.712	S	S	*	*			cis	-163.7	161.8	10.6	-1.7	0	0	0	0	112.6
834	T	28.7	Very low	28.8	Very low	122 Å²	122	131.2 Å²	131.2	75%	0.748	71%	0.711	S	S	*	*			trans	61.8	167.5	150	53.6	0	0	0	0	118.1
835	C	26	Very low	29.1	Very low	96 Å²	96	132.9 Å²	132.9	65%	0.649	71%	0.712	S	S	*	*			cis	-178.1	172.1	-26.7	-92.8	0	0	0	0	105.4
836	N	27	Very low	29	Very low	123 Å²	123	130.2 Å²	130.2	66%	0.658	71%	0.706	S	S	*	*			cis	-166.1	175.7	-19.5	-103.2	3.6	0	0	0	105.8
837	N	27.1	Very low	28.9	Very low	138 Å²	138	131.4 Å²	131.4	74%	0.738	71%	0.709	S	S	*	*			trans	61.9	112.1	148.4	-70.9	-4.4	0	0	0	117.2
838	S	27.2	Very low	29	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	70%	0.699	S	S	*	*				107	153.5	93.3	-81.9	0	0	0	0	110.7
839	Q	29.7	Very low	28.9	Very low	152 Å²	152	127.6 Å²	127.6	71%	0.71	70%	0.696	S	S	*	*			cis	-149.9	159.4	5.9	-130.1	162	24.3	0	0	110.6
840	K	27.7	Very low	28.8	Very low	161 Å²	161	129.1 Å²	129.1	70%	0.7	70%	0.703	S	S	*	*				28.9	127.5	129.9	-75.1	-171.3	176.2	-170.1	0	117
841	N	27.7	Very low	28.5	Very low	117 Å²	117	128.7 Å²	128.7	63%	0.626	70%	0.701	S	S	*	*				154.7	172.7	58.2	-106.9	16.4	0	0	0	105.4
842	D	29.1	Very low	28.5	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	70%	0.697	S	S	*	*			cis	-164.5	-175	-15.6	-111.2	-16.5	0	0	0	106.2
843	V	33	Very low	28.5	Very low	110 Å²	110	128.5 Å²	128.5	67%	0.667	70%	0.697	S	S	*	*			trans	73.7	103.3	162.2	-159.1	0	0	0	0	114.1
844	N	27	Very low	28.4	Very low	138 Å²	138	128 Å²	128	74%	0.738	70%	0.697	S	S	*	*				74.8	154.5	53.9	-61.3	-38.4	0	0	0	115.4
845	N	29.4	Very low	28.4	Very low	150 Å²	150	127.9 Å²	127.9	80%	0.802	70%	0.696	S	S	*	*			trans	75.3	133.3	172.8	-46.7	-28.8	0	0	0	115
846	G	29.7	Very low	28.4	Very low	63 Å²	63	129.2 Å²	129.2	65%	0.649	70%	0.696	S	S	*	*			cis	-149.9	146.9	-6.2	0	0	0	0	0	110.4
847	F	26.9	Very low	28.4	Very low	195 Å²	195	128.5 Å²	128.5	86%	0.855	70%	0.7	S	S	*	*				60.3	143.7	75.5	-84.3	-96.2	0	0	0	113.9
848	P	32.2	Very low	28.4	Very low	96 Å²	96	126.9 Å²	126.9	62%	0.623	70%	0.7	S	S	*	*			cis	-148.1	-179.7	-40	40.7	-24.1	0	0	0	114.2
849	C	25.8	Very low	28.4	Very low	90 Å²	90	128.9 Å²	128.9	61%	0.608	70%	0.703	S	S	*	*			trans	56.4	163.4	145	-76.7	0	0	0	0	119.2
850	L	31.4	Very low	28.2	Very low	152 Å²	152	127.7 Å²	127.7	80%	0.796	71%	0.707	S	S	*	*			cis	-116.1	152.5	12	-64.9	156.3	0	0	0	108.7
851	K	26.5	Very low	28.3	Very low	149 Å²	149	129 Å²	129	65%	0.648	72%	0.715	S	S	*	*				57.6	139.9	52.9	-61.4	-177.5	179.1	-179	0	112.3
852	E	30.3	Very low	28.1	Very low	149 Å²	149	129 Å²	129	70%	0.696	72%	0.724	S	S	*	*			cis	-110.2	161.6	-2.8	-103.9	96.9	-139.9	0	0	109.4
853	K	27.1	Very low	28	Very low	182 Å²	182	129.3 Å²	129.3	79%	0.791	73%	0.731	S	S	*	*				48	142.9	68.2	-59	-177.3	176.8	-174.4	0	112.4
854	S	27.1	Very low	27.5	Very low	93 Å²	93	134.9 Å²	134.9	65%	0.65	74%	0.74	S	S	*	*			cis	-152.7	172.5	-3.2	36.5	0	0	0	0	106.3
855	T	28.1	Very low	27.4	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	74%	0.743	S	S	*	*			cis	-150.4	118.9	28.2	-34.4	0	0	0	0	106
856	I	26.7	Very low	27.2	Very low	124 Å²	124	135.8 Å²	135.8	64%	0.636	74%	0.741	S	S	*	*				56.5	92.8	75.6	-61.8	175.2	0	0	0	108.6
857	S	27	Very low	27	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	75%	0.751	S	S	*	*				72.4	123.9	83.1	-57.6	0	0	0	0	114.1
858	S	27.4	Very low	26.9	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	74%	0.743	S	S	*	*			trans	-175.8	142.2	149.3	46.5	0	0	0	0	109
859	N	26.8	Very low	26.5	Very low	135 Å²	135	140.5 Å²	140.5	72%	0.722	75%	0.754	S	S	*	*			cis	-146.9	130.5	-13	-89.1	-23.7	0	0	0	105.4
860	T	25.3	Very low	26.6	Very low	128 Å²	128	142 Å²	142	79%	0.785	76%	0.755	S	S	*	*				37.4	80.7	82.2	65.4	0	0	0	0	114.5
861	Q	29.1	Very low	26.3	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	75%	0.752	S	S	*	*			trans	-128.4	125.2	146.2	-96	-178.8	3.1	0	0	109.7	T863	Q861-T863 PolarHBondContact O-N 2.99Å
862	S	23.9	Very low	26.4	Very low	117 Å²	117	141 Å²	141	82%	0.818	76%	0.757	S	S	*	*			trans	-85	109.7	-179.1	177	0	0	0	0	109.5
863	T	26.6	Very low	26.3	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	76%	0.756	S	S	*	*			trans	-92.1	113.1	163.3	36.9	0	0	0	0	109.1	Q861 T865	Q861-T863 PolarHBondContact O-N 2.99Å; T863-T865 PolarHBondContact O-N 3.09Å
864	R	22.7	Very low	26.4	Very low	227 Å²	227	138.1 Å²	138.1	86%	0.857	76%	0.759	S	S	*	*			trans	-64.6	120	163.7	-70.8	169.7	166.8	166.3	-7.9	108.5
865	T	26.5	Very low	26.8	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	77%	0.769	S	S	*	*			trans	-117.8	143.1	156.7	45.1	0	0	0	0	108.5	T863	T863-T865 PolarHBondContact O-N 3.09Å
866	F	23.8	Very low	27	Very low	175 Å²	175	142.9 Å²	142.9	77%	0.768	77%	0.772	S	S	*	*			trans	-84.8	136.5	-160.3	-73.5	-110.4	0	0	0	111.8	L868	F866-L868 VanDerWaalsContact C-N 3.25Å; F866-L868 HydrophobicContact CB-CG 4.38Å; F866-L868 PolarHBondContact O-N 3.16Å
867	T	25.1	Very low	27.3	Very low	137 Å²	137	141.9 Å²	141.9	84%	0.84	78%	0.777	S	S	*	*			trans	-65.3	92.9	147.6	45.1	0	0	0	0	107.6	E869	T867-E869 PolarHBondContact O-N 3.18Å
868	L	24.7	Very low	27.6	Very low	133 Å²	133	144.7 Å²	144.7	70%	0.696	78%	0.783	S	S	*	*			trans	-75.7	96.8	165.2	-86	168.3	0	0	0	108.2	F866 I870	F866-L868 VanDerWaalsContact C-N 3.25Å; F866-L868 HydrophobicContact CB-CG 4.38Å; F866-L868 PolarHBondContact O-N 3.16Å; L868-I870 VanDerWaalsContact C-N 3.31Å; L868-I870 HydrophobicContact CB-CD1 4.4Å; L868-I870 HydrophobicContact CB-CG1 3.88Å; L868-I870 PolarHBondContact O-N 3.12Å
869	E	24.8	Very low	27.6	Very low	183 Å²	183	145 Å²	145	86%	0.855	79%	0.785	S	S	*	*			trans	-63.9	97.5	154	-67.7	174.8	143.9	0	0	106.6	T867 D871	T867-E869 PolarHBondContact O-N 3.18Å; E869-D871 PolarHBondContact O-N 3.08Å
870	I	27.5	Very low	27.8	Very low	122 Å²	122	143.3 Å²	143.3	63%	0.626	78%	0.784	S	S	*	*			trans	-89.8	81.6	175.1	-50.4	-176	0	0	0	107.8	L868 L872	L868-I870 VanDerWaalsContact C-N 3.31Å; L868-I870 HydrophobicContact CB-CD1 4.4Å; L868-I870 HydrophobicContact CB-CG1 3.88Å; L868-I870 PolarHBondContact O-N 3.12Å; I870-L872 HydrophobicContact CG2-CD2 3.64Å; I870-L872 HydrophobicContact CG2-CG 3.94Å; I870-L872 PolarHBondContact O-N 2.85Å
871	D	26.1	Very low	28	Very low	136 Å²	136	142 Å²	142	73%	0.727	78%	0.78	S	S	*	*			trans	-60.2	121.1	162.8	-116.4	-26.3	0	0	0	108.3	E869	E869-D871 PolarHBondContact O-N 3.08Å
872	L	28.1	Very low	28	Very low	145 Å²	145	140.6 Å²	140.6	76%	0.759	78%	0.778	S	S	*	*			trans	-104.5	25.4	178.3	-70.4	179.9	0	0	0	112.5	I870 N874	I870-L872 HydrophobicContact CG2-CD2 3.64Å; I870-L872 HydrophobicContact CG2-CG 3.94Å; I870-L872 PolarHBondContact O-N 2.85Å; L872-N874 PolarHBondContact O-N 2.98Å
873	T	28.8	Very low	28.3	Very low	111 Å²	111	139.8 Å²	139.8	68%	0.681	77%	0.771	S	S	*	*			trans	-91.1	78.1	165.7	57.2	0	0	0	0	110.1	D875	T873-D875 PolarHBondContact O-N 3.47Å; T873-D875 VanDerWaalsContact O-N 3.13Å
874	N	29.2	Very low	28.4	Very low	158 Å²	158	142 Å²	142	85%	0.845	77%	0.773	S	S	*	*			trans	-75.9	93.7	166.6	-83.2	-16.6	0	0	0	109.5	L872	L872-N874 PolarHBondContact O-N 2.98Å
875	D	34.3	Very low	28.8	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	77%	0.766	S	S	*	*			trans	-138.8	136.4	154.5	-125.5	-23.5	0	0	0	108	T873	T873-D875 PolarHBondContact O-N 3.47Å; T873-D875 VanDerWaalsContact O-N 3.13Å
876	D	33.2	Very low	29	Very low	151 Å²	151	138.2 Å²	138.2	81%	0.807	77%	0.771	S	S	*	*			trans	-76.3	150.8	-147	-88.3	-51.6	0	0	0	118
877	S	32.1	Very low	29.2	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	77%	0.774	S	S	*	*			trans	61.6	105.6	147.5	-59.3	0	0	0	0	120.3
878	D	32.7	Very low	29.4	Very low	168 Å²	168	142.6 Å²	142.6	90%	0.898	78%	0.778	S	S	*	*				-178.8	144.1	91.1	-117.4	-12.1	0	0	0	112
879	S	28.4	Very low	29.4	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	78%	0.784	S	S	*	*			trans	-148	145.7	170.9	73.7	0	0	0	0	113.6
880	S	30	Very low	29.6	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	79%	0.786	S	S	*	*			trans	-178.7	147.2	147.5	31.9	0	0	0	0	114.6
881	S	30.6	Very low	29.6	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	80%	0.797	S	S	*	*			trans	91.2	97.2	149.8	67.5	0	0	0	0	122.8
882	L	29.8	Very low	29.8	Very low	157 Å²	157	144.2 Å²	144.2	82%	0.822	80%	0.799	S	S	*	*				83.4	123.1	118.3	-65.7	172.3	0	0	0	122.4
883	C	28.5	Very low	30.1	Very low	100 Å²	100	142.7 Å²	142.7	68%	0.676	80%	0.799	S	S	*	*			trans	67.2	148	142.5	-60.8	0	0	0	0	119.3
884	E	30.1	Very low	30.2	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	81%	0.81	S	S	*	*			cis	-156.9	164.3	-12.7	-115.7	-179.2	174.5	0	0	108.6
885	P	30.7	Very low	30.2	Very low	111 Å²	111	145.4 Å²	145.4	72%	0.721	80%	0.803	S	S	*	*			trans	-89	159.4	-168.7	36	-35.7	0	0	0	114.2
886	N	31.1	Very low	30.2	Very low	169 Å²	169	144.1 Å²	144.1	90%	0.904	80%	0.801	S	S	*	*			trans	-160.1	137	150.6	-111	-65.7	0	0	0	113
887	N	26.8	Very low	30	Very low	157 Å²	157	143 Å²	143	84%	0.84	80%	0.796	S	S	*	*			trans	-80.1	142.7	176	-78.1	-34.4	0	0	0	111.9
888	R	30.1	Very low	30.2	Very low	247 Å²	247	146 Å²	146	93%	0.932	80%	0.798	S	S	*	*			trans	-164.1	121.5	141.8	-109.4	159.5	-161.8	-156.9	2.8	112.8
889	I	25.3	Very low	30.1	Very low	158 Å²	158	145 Å²	145	81%	0.81	79%	0.791	S	S	*	*			trans	-78.4	147	166.9	-61.3	162.7	0	0	0	108.5
890	L	29.2	Very low	30.1	Very low	170 Å²	170	145.8 Å²	145.8	89%	0.89	79%	0.791	S	S	*	*			trans	-172	131.4	146.1	-105.6	163.4	0	0	0	110.8
891	E	26.1	Very low	30.3	Very low	184 Å²	184	146 Å²	146	86%	0.86	79%	0.79	S	S	*	*			trans	-105.4	158.9	172.8	-63.8	-173.9	125.5	0	0	111.5
892	A	30.2	Very low	30.1	Very low	95 Å²	95	146.5 Å²	146.5	79%	0.785	79%	0.789	S	S	*	*			trans	-158	125	166.5	0	0	0	0	0	112.3
893	P	34.2	Very low	30.2	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	78%	0.784	S	S	*	*			trans	-103.5	169.2	172.1	39.2	-33.5	0	0	0	112.5
894	F	31.3	Very low	30.2	Very low	211 Å²	211	146.8 Å²	146.8	93%	0.925	79%	0.785	S	S	*	*			trans	-158.3	169	157.2	-98.4	-59.9	0	0	0	113.9
895	T	30.5	Very low	30.2	Very low	114 Å²	114	144.8 Å²	144.8	70%	0.699	78%	0.778	S	S	*	*			trans	-124.9	177.5	-159.1	51.7	0	0	0	0	114
896	T	33.7	Very low	30.3	Very low	133 Å²	133	147 Å²	147	82%	0.816	78%	0.778	S	S	*	*			trans	-153.5	146.9	156	-31.1	0	0	0	0	110.8
897	D	29.3	Very low	30.2	Very low	129 Å²	129	147.1 Å²	147.1	69%	0.69	77%	0.774	S	S	*	*			trans	-96	175.2	-163.9	-50.4	-83.7	0	0	0	115.5
898	H	35.5	Very low	30.3	Very low	166 Å²	166	144 Å²	144	77%	0.769	76%	0.764	S	S	*	*				-178.5	114.1	113.7	-91.1	-56.7	0	0	0	115
899	I	31.5	Very low	30.4	Very low	146 Å²	146	138.2 Å²	138.2	75%	0.749	75%	0.752	S	S	*	*			trans	60.8	134.1	133.2	-57.1	172.3	0	0	0	120.8
900	V	28.3	Very low	30.7	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	75%	0.752	S	S	*	*			trans	-140.8	144.5	173	172.8	0	0	0	0	110.7
901	P	33	Very low	30.7	Very low	106 Å²	106	135.4 Å²	135.4	69%	0.688	75%	0.747	S	S	*	*			trans	-122	122.6	141.5	33.8	-23.4	0	0	0	110.1
902	T	26.8	Very low	31	Very low	111 Å²	111	131.8 Å²	131.8	68%	0.681	74%	0.742	S	S	*	*				72.3	149.5	70.8	65.7	0	0	0	0	115.1
903	N	31.4	Very low	30.9	Very low	135 Å²	135	133.5 Å²	133.5	72%	0.722	74%	0.738	S	S	*	*			trans	77.6	134.9	-176.7	-53.4	62.2	0	0	0	114.4
904	D	29.7	Very low	30.6	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	74%	0.74	S	S	*	*			cis	-165.2	166.5	-10.9	-119.7	-42.2	0	0	0	113.7
905	I	30.4	Very low	30.6	Very low	130 Å²	130	132.7 Å²	132.7	67%	0.667	73%	0.728	S	S	*	*			trans	75.2	119.9	151	-71.3	163.2	0	0	0	121.6
906	Q	31.8	Very low	30.4	Very low	157 Å²	157	138.7 Å²	138.7	73%	0.734	74%	0.738	S	S	*	*			trans	65.2	116.6	152.4	-72.1	163	-5.8	0	0	119.6
907	Q	29.2	Very low	30.2	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	74%	0.739	S	S	*	*				69.7	134.7	68.1	-71.1	179.6	-47.3	0	0	113.3
908	S	30.1	Very low	30.1	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	74%	0.741	S	S	*	*			cis	-162.2	173	-11.3	56.4	0	0	0	0	107.2
909	D	31.4	Very low	29.9	Very low	126 Å²	126	142.1 Å²	142.1	67%	0.674	75%	0.747	S	S	*	*			cis	-147.9	156.9	20.2	-87.3	-70.4	0	0	0	112.4
910	L	30.7	Very low	29.6	Very low	158 Å²	158	141.7 Å²	141.7	83%	0.827	74%	0.742	S	S	*	*			trans	25.7	141.3	133.4	-49	174.3	0	0	0	119.9
911	S	30.8	Very low	29.5	Very low	111 Å²	111	142.9 Å²	142.9	78%	0.776	74%	0.742	S	S	*	*			cis	-167	170.1	1.3	52.4	0	0	0	0	108.5
912	S	31.8	Very low	29.1	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	75%	0.75	S	S	*	*			cis	-147.3	150.2	10.7	56.4	0	0	0	0	112.5
913	D	28.2	Very low	29.1	Very low	132 Å²	132	153.6 Å²	153.6	71%	0.706	76%	0.763	S	S	*	*			trans	-68.6	174.5	174.4	-60.4	-84.8	0	0	0	112.8
914	F	28.5	Very low	28.9	Very low	177 Å²	177	150.2 Å²	150.2	78%	0.776	76%	0.76	S	S	*	*			cis	-151.2	142	43.5	-100	-98.8	0	0	0	116
915	I	29.8	Very low	28.8	Very low	130 Å²	130	152.1 Å²	152.1	67%	0.667	77%	0.77	S	S	*	*			trans	26.7	115.2	130.8	-53	-171.6	0	0	0	116.2
916	R	26	Very low	29.2	Very low	241 Å²	241	155.7 Å²	155.7	91%	0.909	78%	0.781	S	S	*	*			cis	61.6	66.6	41.7	-98.2	-167.7	-179.5	-172.7	1	116.2
917	T	29.8	Very low	29.3	Very low	137 Å²	137	151.1 Å²	151.1	84%	0.84	78%	0.776	S	S	*	*			trans	-65.9	158.5	143	44.9	0	0	0	0	110
918	R	28.7	Very low	29.6	Very low	197 Å²	197	143.6 Å²	143.6	74%	0.743	74%	0.742	S	S	*	*			trans	-147.8	92.5	-169.3	-178.6	-168.2	177.7	154.1	-2.1	110.7	E920	R918-E920 IonicContact CZ-OE1 3.5Å; R918-E920 IonicContact NE-OE1 3.25Å; R918-E920 PolarHBondContact NE-OE1 2.78Å; R918-E920 IonicContact NH2-OE1 2.86Å; R918-E920 PolarHBondContact NH2-OE1 3.48Å
919	D	29.4	Very low	30.1	Very low	166 Å²	166	143.3 Å²	143.3	89%	0.888	73%	0.733	S	S	*	*			trans	-106.9	133	162.3	-74.9	-62.5	0	0	0	109.8
920	E	26.4	Very low	30.6	Very low	137 Å²	137	139.7 Å²	139.7	64%	0.64	71%	0.713	S	S	*	*			trans	-101.3	135.2	177.9	-56.6	-177.8	169	0	0	108	R918	R918-E920 IonicContact CZ-OE1 3.5Å; R918-E920 IonicContact NE-OE1 3.25Å; R918-E920 PolarHBondContact NE-OE1 2.78Å; R918-E920 IonicContact NH2-OE1 2.86Å; R918-E920 PolarHBondContact NH2-OE1 3.48Å
921	I	25.9	Very low	31.4	Very low	151 Å²	151	132.2 Å²	132.2	77%	0.774	67%	0.674	S	S	*	*			trans	-174.8	114.6	144.8	-95.9	147.6	0	0	0	111.5
922	R	24.5	Very low	31.8	Very low	223 Å²	223	129.5 Å²	129.5	84%	0.842	65%	0.65	S	S	*	*			trans	39.4	86.3	145.5	-50.4	177.1	-174.8	176.4	2.7	120.2
923	F	27.8	Very low	32	Very low	218 Å²	218	124.7 Å²	124.7	96%	0.956	62%	0.617	S	S	*	*			trans	-133.3	121.3	132.4	-83.4	-78.2	0	0	0	109
924	G	26.8	Very low	32.3	Very low	64 Å²	64	118.9 Å²	118.9	66%	0.66	59%	0.586	S	S	*	*			trans	-130.3	145.7	-166	0	0	0	0	0	114.6	K926	G924-K926 PolarHBondContact O-N 3.41Å
925	N	26.9	Very low	32.6	Very low	169 Å²	169	114.3 Å²	114.3	90%	0.904	57%	0.569	S	S	*	*			trans	40.5	65.5	159.5	-62.1	-19.3	0	0	0	116.7
926	K	39.3	Very low	32.6	Very low	205 Å²	205	110.4 Å²	110.4	89%	0.891	55%	0.552	S	S	*	*			trans	-67.4	133.1	152.6	-68.9	-175.2	177.8	179.6	0	107.9	G924	G924-K926 PolarHBondContact O-N 3.41Å
927	G	34.4	Very low	32.7	Very low	60 Å²	60	103.4 Å²	103.4	62%	0.619	54%	0.54	S	S	*	.			trans	-74.9	-177.2	-176.6	0	0	0	0	0	113.5
928	P	35.5	Very low	32.6	Very low	16 Å²	16	102.6 Å²	102.6	10%	0.104	53%	0.529	C	S	.	.			trans	-57.8	142.1	170.8	27.8	-35	0	0	0	110.1	P421 I930	P421-P928 HydrophobicContact CG-CG 3.76Å; P928-I930 HydrophobicContact CG-CD1 4.23Å; P928-I930 HydrophobicContact CG-CG1 4.42Å; P928-I930 PolarHBondContact O-N 2.85Å
929	L	39.4	Very low	32.4	Very low	84 Å²	84	98.5 Å²	98.5	44%	0.44	53%	0.531	S	S	.	.			trans	-81.9	91	-173.4	-165.3	131.5	0	0	0	109.8	V931	L929-V931 HydrophobicContact CD2-CG2 3.57Å
930	I	42.9	Very low	32.2	Very low	49 Å²	49	96.1 Å²	96.1	25%	0.251	52%	0.517	S	S	.	.			trans	-86.3	113.6	-176.3	-64.4	150	0	0	0	108.9	P423 L441 P928	P423-I930 HydrophobicContact CG-CD1 4.37Å; P423-I930 HydrophobicContact CG-CG2 3.8Å; L441-I930 HydrophobicContact CD1-CG2 3.81Å; L441-I930 HydrophobicContact CD2-CG2 3.41Å; L441-I930 VanDerWaalsContact CD2-CG2 3.41Å; L441-I930 HydrophobicContact CG-CG2 4.14Å; P928-I930 HydrophobicContact CG-CD1 4.23Å; P928-I930 HydrophobicContact CG-CG1 4.42Å; P928-I930 PolarHBondContact O-N 2.85Å
931	V	46.6	Very low	32.1	Very low	2 Å²	2	94.9 Å²	94.9	1%	0.012	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.1	-179.7	-158.4	0	0	0	0	110.3	S281 F283 L284 L441 S442 L929	S281-V931 WeakPolarHBondContact OG-CG1 3.2Å; F283-V931 HydrophobicContact CD2-CG1 4.03Å; L284-V931 HydrophobicContact CD1-CG2 3.89Å; L284-V931 HydrophobicContact CG-CG2 4.4Å; L441-V931 WeakPolarHBondContact CD2-O 3.37Å; S442-V931 PolarHBondContact N-O 3.45Å; L929-V931 HydrophobicContact CD2-CG2 3.57Å
932	I	39.1	Very low	32.1	Very low	53 Å²	53	94.9 Å²	94.9	27%	0.272	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.1	178.9	-21.8	174.4	0	0	0	110.9	R440 L441 P649	R440-I932 CarbonylContact O-C 3.58Å; R440-I932 VanDerWaalsContact O-CA 3.23Å; R440-I932 WeakPolarHBondContact O-CA 3.22Å; R440-I932 VanDerWaalsContact O-CG2 3.24Å; R440-I932 WeakPolarHBondContact O-CG2 3.5Å; L441-I932 HydrophobicContact CD2-CB 3.89Å; L441-I932 HydrophobicContact CD2-CG1 3.67Å; L441-I932 HydrophobicContact CD2-CG2 3.83Å; P649-I932 HydrophobicContact CB-CB 4.33Å; P649-I932 WeakPolarHBondContact CB-O 3.49Å; P649-I932 HydrophobicContact CG-CB 3.49Å; P649-I932 VanDerWaalsContact CG-CB 3.49Å; P649-I932 HydrophobicContact CG-CD1 3.95Å; P649-I932 HydrophobicContact CG-CG1 3.48Å; P649-I932 VanDerWaalsContact CG-CG1 3.48Å; P649-I932 WeakPolarHBondContact CG-O 3.42Å
933	S	35.6	Very low	32.2	Very low	8 Å²	8	88.2 Å²	88.2	6%	0.056	51%	0.51	C	S	.	.			trans	-91.3	154.2	168	-71.7	0	0	0	0	112.7	S279 E280 S281 E405 R440	S279-S933 PolarHBondContact OG-OG 3.37Å; E280-S933 PolarHBondContact N-OG 3.44Å; S281-S933 PolarHBondContact N-OG 2.93Å; E405-S933 PolarHBondContact OE1-OG 2.8Å; R440-S933 PolarHBondContact O-N 2.74Å
934	P	36.1	Very low	32	Very low	9 Å²	9	86.9 Å²	86.9	6%	0.058	51%	0.512	C	S	.	.			trans	-55.7	-175.8	170.1	-4.1	2.5	0	0	0	115.3	E280 R440 W651 P661	E280-P934 HydrophobicContact CB-CG 4.06Å; E280-P934 VanDerWaalsContact OE2-CD 3.29Å; E280-P934 WeakPolarHBondContact OE2-CD 3.39Å; E280-P934 WeakPolarHBondContact OE2-CG 3.32Å; R440-P934 VanDerWaalsContact CD-O 3.25Å; R440-P934 WeakPolarHBondContact CD-O 3.42Å; R440-P934 VanDerWaalsContact CZ-O 3.32Å; R440-P934 PolarHBondContact NE-O 2.93Å; R440-P934 PolarHBondContact NH1-O 2.78Å; W651-P934 HydrophobicContact CB-CB 3.83Å; W651-P934 HydrophobicContact CB-CG 3.7Å; W651-P934 HydrophobicContact CD2-CG 4.4Å; W651-P934 HydrophobicContact CG-CB 4.22Å; W651-P934 HydrophobicContact CG-CG 3.63Å; P661-P934 HydrophobicContact CB-CB 4.47Å; P661-P934 HydrophobicContact CB-CG 3.73Å
935	L	33.6	Very low	32.1	Very low	82 Å²	82	88.9 Å²	88.9	43%	0.429	52%	0.516	S	S	.	.			trans	-120.5	129.9	162.2	-74.9	158.2	0	0	0	108.9	K437 S937	K437-L935 HydrophobicContact CB-CD1 4.14Å; K437-L935 HydrophobicContact CD-CD1 3.99Å; K437-L935 HydrophobicContact CG-CD1 3.71Å; L935-S937 PolarHBondContact O-N 2.79Å
936	P	30.4	Very low	32.1	Very low	48 Å²	48	84.8 Å²	84.8	31%	0.312	51%	0.514	S	S	.	.			trans	-77	119.1	174.1	31.4	-33.9	0	0	0	109.3	R440 I938	R440-P936 VanDerWaalsContact NH1-CD 3.31Å; P936-I938 HydrophobicContact CB-CG1 4.16Å; P936-I938 HydrophobicContact CG-CG1 4.48Å; P936-I938 PolarHBondContact O-N 3.32Å
937	S	27.3	Very low	31.7	Very low	94 Å²	94	80.8 Å²	80.8	66%	0.657	51%	0.512	S	S	*	.			trans	-72.7	74.7	166.4	49.4	0	0	0	0	109.8	L935 S939	L935-S937 PolarHBondContact O-N 2.79Å; S937-S939 PolarHBondContact O-N 2.78Å
938	I	27.4	Very low	31.4	Very low	119 Å²	119	84 Å²	84	61%	0.61	52%	0.519	S	S	*	.			trans	-73.6	96.3	169.8	-55.9	-179.3	0	0	0	107.6	P936 I940	P936-I938 HydrophobicContact CB-CG1 4.16Å; P936-I938 HydrophobicContact CG-CG1 4.48Å; P936-I938 PolarHBondContact O-N 3.32Å; I938-I940 HydrophobicContact CG2-CG1 4.08Å; I938-I940 PolarHBondContact O-N 3.37Å
939	S	25.3	Very low	31.2	Very low	111 Å²	111	92.5 Å²	92.5	78%	0.776	56%	0.558	S	S	*	*			trans	-66.1	94.8	165.8	47.7	0	0	0	0	109.3	S937 P941	S937-S939 PolarHBondContact O-N 2.78Å; S939-P941 WeakPolarHBondContact O-CD 3.41Å
940	I	25.2	Very low	30.6	Very low	116 Å²	116	97 Å²	97	60%	0.595	58%	0.577	S	S	*	*			trans	-75.4	119.5	169.2	-57.5	171.7	0	0	0	107.4	I938 N942	I938-I940 HydrophobicContact CG2-CG1 4.08Å; I938-I940 PolarHBondContact O-N 3.37Å; I940-N942 WeakPolarHBondContact CG2-OD1 3.3Å; I940-N942 PolarHBondContact O-N 3.33Å
941	P	24.3	Very low	29.8	Very low	111 Å²	111	102 Å²	102	72%	0.721	60%	0.604	S	S	*	*			trans	-73.5	77.8	175.2	30.7	-34.7	0	0	0	110.7	S939 S943	S939-P941 WeakPolarHBondContact O-CD 3.41Å; P941-S943 PolarHBondContact O-N 2.99Å
942	N	25.5	Very low	29	Very low	151 Å²	151	109.2 Å²	109.2	81%	0.807	64%	0.642	S	S	*	*			trans	-78	58.3	171.1	-79.8	-18.2	0	0	0	110.7	I940	I940-N942 WeakPolarHBondContact CG2-OD1 3.3Å; I940-N942 PolarHBondContact O-N 3.33Å
943	S	26.7	Very low	28.4	Very low	84 Å²	84	114.7 Å²	114.7	59%	0.587	67%	0.671	S	S	*	*			trans	-133	58	-174.1	59.2	0	0	0	0	112.3	P941 S945	P941-S943 PolarHBondContact O-N 2.99Å; S943-S945 VanDerWaalsContact C-N 3.27Å; S943-S945 PolarHBondContact O-N 3.11Å
944	L	24.7	Very low	28	Very low	190 Å²	190	122.3 Å²	122.3	100%	0.995	71%	0.711	S	S	*	*			trans	-87.7	68.3	164.8	-93.2	162.9	0	0	0	110.1
945	S	28.1	Very low	27.7	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	74%	0.739	S	S	*	*			trans	-145.1	105.1	172.3	53.7	0	0	0	0	107.2	S943	S943-S945 VanDerWaalsContact C-N 3.27Å; S943-S945 PolarHBondContact O-N 3.11Å
946	G	27.3	Very low	27.6	Very low	84 Å²	84	128.2 Å²	128.2	87%	0.866	75%	0.746	S	S	*	*			trans	-88.5	158	-162.4	0	0	0	0	0	115.4
947	S	30.8	Very low	27.6	Very low	121 Å²	121	133.3 Å²	133.3	85%	0.846	77%	0.77	S	S	*	*			trans	-115.2	120.2	151.5	51.7	0	0	0	0	107.4
948	T	28	Very low	27.8	Very low	127 Å²	127	134.7 Å²	134.7	78%	0.779	77%	0.77	S	S	*	*			trans	-85.5	118.2	178.2	45.5	0	0	0	0	110.8
949	E	29.9	Very low	28.1	Very low	195 Å²	195	132 Å²	132	91%	0.911	75%	0.754	S	S	*	*			trans	-129.3	110.2	145.7	-69.5	-161.5	144.7	0	0	107.9
950	E	26.9	Very low	28.4	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	76%	0.756	S	S	*	*			trans	-87.3	118.4	169.7	-64.8	180	129.3	0	0	108.1
951	N	27.5	Very low	28.8	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	75%	0.752	S	S	*	*			trans	-168.5	172	151.2	-92.2	-42.8	0	0	0	109.9	L953	N951-L953 VanDerWaalsContact C-N 3.35Å; N951-L953 PolarHBondContact O-N 3.42Å
952	D	28.9	Very low	29.2	Very low	153 Å²	153	132.5 Å²	132.5	82%	0.818	74%	0.742	S	S	*	*			trans	61.8	22.7	173.9	-62.9	-6.1	0	0	0	118.4	N954	D952-N954 PolarHBondContact O-N 3.38Å
953	L	26.9	Very low	29.5	Very low	169 Å²	169	130.8 Å²	130.8	89%	0.885	73%	0.731	S	S	*	*			trans	-76.1	66.9	158.6	-85.8	169.3	0	0	0	111.9	N951	N951-L953 VanDerWaalsContact C-N 3.35Å; N951-L953 PolarHBondContact O-N 3.42Å
954	N	28	Very low	29.6	Very low	167 Å²	167	137 Å²	137	89%	0.893	74%	0.742	S	S	*	*			trans	-155.7	50	170.1	-99.3	-40.8	0	0	0	113.5	D952	D952-N954 PolarHBondContact O-N 3.38Å
955	S	29.1	Very low	30	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	73%	0.726	S	S	*	*	S	Bend	trans	-149.2	170.1	164.7	64	0	0	0	0	111.2	L957	S955-L957 PolarHBondContact O-N 3.03Å
956	H	31.4	Very low	30	Very low	123 Å²	123	136.3 Å²	136.3	57%	0.569	73%	0.726	S	S	*	*	S	Bend	trans	61.2	22.8	-179.3	-70.5	-87.4	0	0	0	118.1	D958 E959	H956-D958 VanDerWaalsContact C-N 3.31Å; H956-E959 IonicContact CE1-OE2 3.95Å; H956-E959 PolarHBondContact CE1-OE2 3.38Å; H956-E959 IonicContact ND1-OE2 3.39Å; H956-E959 PolarHBondContact ND1-OE2 2.93Å
957	L	31.3	Very low	30.1	Very low	154 Å²	154	139.9 Å²	139.9	81%	0.806	72%	0.724	S	S	*	*	S	Bend	trans	-80.1	-9.7	165.7	-139.3	79.2	0	0	0	113.7	S955	S955-L957 PolarHBondContact O-N 3.03Å
958	D	31.2	Very low	29.9	Very low	124 Å²	124	140.6 Å²	140.6	66%	0.663	72%	0.724	S	S	*	*	S	Bend	trans	-98.9	-12.8	-168.2	-67.4	-57.2	0	0	0	116.2	H956 T961 T962	H956-D958 VanDerWaalsContact C-N 3.31Å; D958-T961 PolarHBondContact O-OG1 3.45Å; D958-T962 PolarHBondContact O-OG1 3.39Å
959	E	33.2	Very low	30	Very low	61 Å²	61	140.4 Å²	140.4	29%	0.285	72%	0.722	S	S	.	*	H	α-helix	trans	-75.9	-37	178.9	-83.4	-178.2	101.6	0	0	113	C20 H956 T961 T962	C20-E959 PolarHBondContact SG-OE1 3.24Å; H956-E959 IonicContact CE1-OE2 3.95Å; H956-E959 PolarHBondContact CE1-OE2 3.38Å; H956-E959 IonicContact ND1-OE2 3.39Å; H956-E959 PolarHBondContact ND1-OE2 2.93Å; E959-T961 VanDerWaalsContact C-N 3.32Å; E959-T961 PolarHBondContact O-N 3.21Å; E959-T962 PolarHBondContact O-N 3.21Å
960	F	31.4	Very low	29.9	Very low	183 Å²	183	136.1 Å²	136.1	80%	0.803	71%	0.705	S	S	*	*	H	α-helix	trans	-76.4	-15.2	-175.9	-86.4	-84.2	0	0	0	114.7
961	T	34	Very low	29.8	Very low	84 Å²	84	133.5 Å²	133.5	52%	0.515	70%	0.704	S	S	.	*	H	α-helix	trans	-85.2	-34	173	8.8	0	0	0	0	112	D958 E959 R964	D958-T961 PolarHBondContact O-OG1 3.45Å; E959-T961 VanDerWaalsContact C-N 3.32Å; E959-T961 PolarHBondContact O-N 3.21Å; T961-R964 PolarHBondContact O-N 3.42Å
962	T	32.5	Very low	29.9	Very low	83 Å²	83	134.7 Å²	134.7	51%	0.509	70%	0.702	S	S	.	*	H	α-helix	trans	-73	-45.4	-173.6	-56.2	0	0	0	0	111.9	D958 E959 R964 N965	D958-T962 PolarHBondContact O-OG1 3.39Å; E959-T962 PolarHBondContact O-N 3.21Å; T962-R964 PolarHBondContact O-N 2.84Å; T962-N965 PolarHBondContact O-N 2.78Å; T962-N965 VanDerWaalsContact O-N 3.12Å
963	I	32.4	Very low	29.9	Very low	115 Å²	115	135.5 Å²	135.5	59%	0.59	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-13.8	176.9	-62.4	170.6	0	0	0	112.6
964	R	28.9	Very low	30.1	Very low	215 Å²	215	135.5 Å²	135.5	81%	0.811	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-12.9	179.4	-148.2	179.9	-167.6	109.1	4.8	114.6	T961 T962	T961-R964 PolarHBondContact O-N 3.42Å; T962-R964 PolarHBondContact O-N 2.84Å
965	N	32	Very low	30	Very low	121 Å²	121	132.1 Å²	132.1	65%	0.647	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-17.6	-175.5	-70.5	-30.5	0	0	0	113.9	T962 L967	T962-N965 PolarHBondContact O-N 2.78Å; T962-N965 VanDerWaalsContact O-N 3.12Å; N965-L967 PolarHBondContact O-N 2.72Å
966	E	29.4	Very low	30	Very low	158 Å²	158	138.7 Å²	138.7	74%	0.738	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	72.2	179.5	-64.6	-161.7	150.5	0	0	113
967	L	28.5	Very low	30	Very low	160 Å²	160	137 Å²	137	84%	0.838	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.5	29.2	154.4	-110.3	164.2	0	0	0	113.6	N965 V969	N965-L967 PolarHBondContact O-N 2.72Å; L967-V969 VanDerWaalsContact C-N 3.34Å; L967-V969 PolarHBondContact O-N 3.04Å; L967-V969 VanDerWaalsContact O-N 3.1Å
968	T	26.6	Very low	30.1	Very low	135 Å²	135	136.5 Å²	136.5	83%	0.828	71%	0.705	S	S	*	*			trans	-83.4	68.1	177.1	37.6	0	0	0	0	112
969	V	30.3	Very low	30.1	Very low	124 Å²	124	135 Å²	135	75%	0.752	70%	0.704	S	S	*	*			trans	-93.5	127.9	177.3	-175.7	0	0	0	0	111.1	L967	L967-V969 VanDerWaalsContact C-N 3.34Å; L967-V969 PolarHBondContact O-N 3.04Å; L967-V969 VanDerWaalsContact O-N 3.1Å
970	D	26.8	Very low	30.1	Very low	104 Å²	104	139.6 Å²	139.6	56%	0.556	73%	0.731	S	S	*	*			trans	-65.4	123	-170.7	-177.7	15.5	0	0	0	113.1	K972	D970-K972 PolarHBondContact O-N 3.44Å
971	P	26.5	Very low	30.1	Very low	125 Å²	125	141.3 Å²	141.3	81%	0.812	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	55.5	-176.3	33.2	-38.8	0	0	0	113.6
972	K	28.3	Very low	30.2	Very low	177 Å²	177	141.7 Å²	141.7	77%	0.77	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.7	3.8	-177	-79.5	-173.1	177.7	171.4	0	116.8	D970	D970-K972 PolarHBondContact O-N 3.44Å
973	Q	29.5	Very low	30	Very low	171 Å²	171	143.3 Å²	143.3	80%	0.799	75%	0.748	S	S	*	*			trans	-120.7	161.7	179.5	-60.9	-158.6	20	0	0	113.7
974	I	30.2	Very low	30.2	Very low	168 Å²	168	140.8 Å²	140.8	86%	0.862	75%	0.751	S	S	*	*			trans	66.5	83	179.7	-45.8	-178.8	0	0	0	114.2
975	S	26	Very low	30.6	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	74%	0.738	S	S	*	*			trans	-114	122.8	153.3	52.1	0	0	0	0	109.7
976	R	30.5	Very low	30.8	Very low	231 Å²	231	133.9 Å²	133.9	87%	0.872	73%	0.732	S	S	*	*			trans	154.6	142.8	150.6	-87.8	162.6	-177	105.6	-4.6	111.8
977	A	31.3	Very low	31	Very low	87 Å²	87	132.2 Å²	132.2	72%	0.719	72%	0.724	S	S	*	*			trans	60.4	133.9	167.8	0	0	0	0	0	117.2
978	D	32.5	Very low	31.1	Very low	145 Å²	145	129 Å²	129	78%	0.775	71%	0.711	S	S	*	*			cis	-143.2	125.5	-8	-89.7	-33.9	0	0	0	107.5
979	S	31.6	Very low	31.3	Very low	91 Å²	91	129.6 Å²	129.6	64%	0.636	71%	0.706	S	S	*	*				81.1	77.2	68.5	85.6	0	0	0	0	114.8
980	N	32.2	Very low	31.4	Very low	158 Å²	158	129.9 Å²	129.9	85%	0.845	70%	0.703	S	S	*	*			trans	175.5	70.5	144.4	-92.9	-27.7	0	0	0	112.6
981	W	33.2	Very low	31.5	Very low	219 Å²	219	134 Å²	134	83%	0.83	71%	0.711	S	S	*	*			trans	-132	135.7	167.7	-83	72.4	0	0	0	110.7
982	P	34.4	Very low	31.7	Very low	92 Å²	92	134 Å²	134	60%	0.597	71%	0.709	S	S	*	*			trans	-67.1	144.8	-172	-24.1	35.1	0	0	0	114.6	G984	P982-G984 PolarHBondContact O-N 2.95Å
983	P	30.1	Very low	31.7	Very low	118 Å²	118	129.2 Å²	129.2	77%	0.766	70%	0.698	S	S	*	*	H	α-helix	trans	-65.1	-11.7	-168.5	-24.8	35.3	0	0	0	117.1
984	G	36.6	Very low	31.5	Very low	62 Å²	62	129.2 Å²	129.2	64%	0.639	70%	0.703	S	S	*	*	H	α-helix	trans	-79.3	-24.1	-174.1	0	0	0	0	0	115.7	P982	P982-G984 PolarHBondContact O-N 2.95Å
985	L	35.9	Very low	31.4	Very low	106 Å²	106	126.4 Å²	126.4	56%	0.555	70%	0.698	S	S	*	*	H	α-helix	trans	-89.8	-30.1	-171.5	-112.2	163.3	0	0	0	113.7	Q987 T988	L985-Q987 PolarHBondContact O-N 3.04Å; L985-T988 PolarHBondContact O-N 3.15Å
986	V	35.8	Very low	31.6	Very low	84 Å²	84	127.3 Å²	127.3	51%	0.509	71%	0.705	S	S	.	*	H	α-helix	trans	-69.7	-33.5	-176.2	-177.9	0	0	0	0	112.1	T988 L990	V986-T988 VanDerWaalsContact C-N 3.26Å; V986-T988 PolarHBondContact O-N 3.18Å; V986-L990 HydrophobicContact CG1-CD1 3.97Å; V986-L990 PolarHBondContact O-N 2.66Å
987	Q	33.3	Very low	31.3	Very low	124 Å²	124	125.8 Å²	125.8	58%	0.579	71%	0.705	S	S	*	*	H	α-helix	trans	-71	-17.5	177.8	-69	-164.4	4.2	0	0	114.1	L985 R991	L985-Q987 PolarHBondContact O-N 3.04Å; Q987-R991 WeakPolarHBondContact O-CD 3.26Å; Q987-R991 WeakPolarHBondContact O-CG 3.32Å
988	T	32	Very low	31.1	Very low	91 Å²	91	128.7 Å²	128.7	56%	0.558	71%	0.708	S	S	*	*	H	α-helix	trans	-83.6	-44.7	180	-43.4	0	0	0	0	111.1	L985 V986 L990 R991	L985-T988 PolarHBondContact O-N 3.15Å; V986-T988 VanDerWaalsContact C-N 3.26Å; V986-T988 PolarHBondContact O-N 3.18Å; T988-L990 VanDerWaalsContact C-N 3.32Å; T988-L990 PolarHBondContact O-N 3.36Å; T988-R991 PolarHBondContact O-N 2.97Å
989	M	31.4	Very low	30.9	Very low	148 Å²	148	128.4 Å²	128.4	73%	0.729	71%	0.707	S	S	*	*	H	α-helix	trans	-69.7	-26.9	179	-73.9	-172.6	165.6	0	0	113.3	R991	M989-R991 VanDerWaalsContact C-N 3.27Å; M989-R991 PolarHBondContact O-N 3.24Å
990	L	32.1	Very low	30.7	Very low	130 Å²	130	130.5 Å²	130.5	68%	0.681	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	8.1	174.7	-69.8	172.1	0	0	0	114.4	V986 T988	V986-L990 HydrophobicContact CG1-CD1 3.97Å; V986-L990 PolarHBondContact O-N 2.66Å; T988-L990 VanDerWaalsContact C-N 3.32Å; T988-L990 PolarHBondContact O-N 3.36Å
991	R	29.2	Very low	30.4	Very low	191 Å²	191	129.6 Å²	129.6	72%	0.721	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	-1.8	-179	-78.9	-175.9	175.5	175.1	2.3	115.6	Q987 T988 M989	Q987-R991 WeakPolarHBondContact O-CD 3.26Å; Q987-R991 WeakPolarHBondContact O-CG 3.32Å; T988-R991 PolarHBondContact O-N 2.97Å; M989-R991 VanDerWaalsContact C-N 3.27Å; M989-R991 PolarHBondContact O-N 3.24Å
992	T	30.6	Very low	30	Very low	126 Å²	126	126.9 Å²	126.9	77%	0.773	70%	0.701	S	S	*	*	S	Bend	trans	-101	8.4	173.9	48.6	0	0	0	0	113.7
993	S	27.8	Very low	29.6	Very low	76 Å²	76	132.5 Å²	132.5	53%	0.531	72%	0.716	S	S	.	*	S	Bend	trans	-133.8	67.3	179.7	60.2	0	0	0	0	111.2
994	N	25.9	Very low	29.4	Very low	170 Å²	170	133 Å²	133	91%	0.909	71%	0.712	S	S	*	*	S	Bend	trans	178.9	52.2	155.8	-91.9	-26.7	0	0	0	113.2
995	S	27.3	Very low	29	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	72%	0.719	S	S	*	*			trans	-161.7	135.9	159.2	49.7	0	0	0	0	109.3
996	S	29.8	Very low	28.6	Very low	116 Å²	116	139.2 Å²	139.2	81%	0.811	73%	0.73	S	S	*	*			cis	-128.3	112	5.1	-61.2	0	0	0	0	111.7
997	F	25.3	Very low	28.2	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.873	74%	0.738	S	S	*	*			trans	-96.7	169	149.5	-95.1	-99.4	0	0	0	108.7
998	N	25.9	Very low	28	Very low	147 Å²	147	140.1 Å²	140.1	79%	0.786	74%	0.744	S	S	*	*			trans	76.9	85.6	-176.5	-51.7	-21.7	0	0	0	115.4
999	N	29.3	Very low	28	Very low	140 Å²	140	144.4 Å²	144.4	75%	0.749	76%	0.755	S	S	*	*				-162.7	119.5	114.1	-90.5	-19.3	0	0	0	108.4
1000	I	26.2	Very low	28.3	Very low	134 Å²	134	140.2 Å²	140.2	69%	0.687	74%	0.74	S	S	*	*				64.2	110.5	100.5	-64	173.9	0	0	0	111.2
1001	N	26.7	Very low	28.3	Very low	139 Å²	139	136.3 Å²	136.3	74%	0.743	73%	0.726	S	S	*	*			cis	-147.6	146.7	7.1	-101.5	-10.1	0	0	0	113.6
1002	Q	24.8	Very low	28.6	Very low	163 Å²	163	133.5 Å²	133.5	76%	0.762	72%	0.72	S	S	*	*			trans	3.6	112.7	140.2	-174	176.5	24.8	0	0	118.2
1003	F	26.5	Very low	28.7	Very low	210 Å²	210	135.1 Å²	135.1	92%	0.921	71%	0.713	S	S	*	*			trans	-152.8	134.2	136.7	-108.2	-74.6	0	0	0	109.2
1004	D	26.2	Very low	29.1	Very low	127 Å²	127	136.8 Å²	136.8	68%	0.679	71%	0.712	S	S	*	*			trans	-71.3	155.5	173.8	-70.8	-76.4	0	0	0	112.1
1005	I	27.6	Very low	29.6	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	70%	0.701	S	S	*	*				-179.1	118.4	121.8	-90.2	152.7	0	0	0	108.3
1006	N	26.5	Very low	30.2	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	69%	0.688	S	S	*	*			trans	-74.6	129.3	161.7	-62.1	-62.4	0	0	0	107.9
1007	D	28.1	Very low	30.6	Very low	128 Å²	128	136.4 Å²	136.4	68%	0.684	68%	0.678	S	S	*	*			trans	176.5	-13.9	154.4	-97.4	-21.3	0	0	0	114.6	K1009 S1010	D1007-K1009 PolarHBondContact O-N 3.41Å; D1007-S1010 PolarHBondContact O-OG 3.26Å; D1007-S1010 VanDerWaalsContact O-OG 3.12Å
1008	S	29.8	Very low	31.2	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-6.8	-168.6	58.6	0	0	0	0	117
1009	K	31.9	Very low	31.9	Very low	181 Å²	181	129.4 Å²	129.4	79%	0.787	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-24.7	-175.4	-73.5	-177.4	178.4	174.7	0	115.1	D1007	D1007-K1009 PolarHBondContact O-N 3.41Å
1010	S	36.7	Very low	32.3	Very low	61 Å²	61	126.4 Å²	126.4	43%	0.427	64%	0.636	S	S	.	*	H	α-helix	trans	-66.7	-50.8	169.8	44.6	0	0	0	0	110.5	D1007 F1012 Y1013 Q1014	D1007-S1010 PolarHBondContact O-OG 3.26Å; D1007-S1010 VanDerWaalsContact O-OG 3.12Å; S1010-F1012 VanDerWaalsContact C-N 3.26Å; S1010-F1012 PolarHBondContact O-N 3.39Å; S1010-F1012 VanDerWaalsContact O-N 3.13Å; S1010-Y1013 PolarHBondContact O-N 2.92Å; S1010-Y1013 VanDerWaalsContact O-N 3.08Å; S1010-Q1014 PolarHBondContact O-N 3.39Å
1011	A	33.3	Very low	32.8	Very low	47 Å²	47	122.2 Å²	122.2	39%	0.388	62%	0.621	S	S	.	*	H	α-helix	trans	-59	-27.9	-175.7	0	0	0	0	0	114.8	R1015	A1011-R1015 VanDerWaalsContact O-CB 3.31Å; A1011-R1015 WeakPolarHBondContact O-CB 3.39Å; A1011-R1015 PolarHBondContact O-N 3Å
1012	F	34.5	Very low	33.2	Very low	133 Å²	133	121.2 Å²	121.2	58%	0.583	61%	0.611	S	S	*	*	H	α-helix	trans	-73.2	-43.7	175.3	-174.6	-95.4	0	0	0	112.1	S1010 R1015 L1016	S1010-F1012 VanDerWaalsContact C-N 3.26Å; S1010-F1012 PolarHBondContact O-N 3.39Å; S1010-F1012 VanDerWaalsContact O-N 3.13Å; F1012-R1015 PolarHBondContact O-N 2.83Å; F1012-L1016 HydrophobicContact CE1-CD1 4.04Å; F1012-L1016 HydrophobicContact CZ-CD1 4Å; F1012-L1016 PolarHBondContact O-N 3.49Å
1013	Y	33.2	Very low	33.8	Very low	160 Å²	160	121.9 Å²	121.9	63%	0.627	61%	0.607	S	S	*	*	H	α-helix	trans	-71.5	-38.5	176	-88.3	-86	0	0	0	111.9	S1010 L1016 L1017	S1010-Y1013 PolarHBondContact O-N 2.92Å; S1010-Y1013 VanDerWaalsContact O-N 3.08Å; Y1013-L1016 PolarHBondContact O-N 3.42Å; Y1013-L1017 WeakPolarHBondContact O-CB 3.41Å; Y1013-L1017 WeakPolarHBondContact O-CG 3.05Å; Y1013-L1017 PolarHBondContact O-N 2.61Å
1014	Q	36.1	Very low	34.2	Very low	111 Å²	111	115.4 Å²	115.4	52%	0.519	58%	0.584	S	S	.	*	H	α-helix	trans	-62.4	-42.9	172.2	-76.5	170.9	-51.1	0	0	111.3	S1010 L1016 L1017 E1018	S1010-Q1014 PolarHBondContact O-N 3.39Å; Q1014-L1016 PolarHBondContact O-N 3.26Å; Q1014-L1017 CarbonylContact O-C 3.51Å; Q1014-L1017 PolarHBondContact O-N 3.18Å; Q1014-E1018 WeakPolarHBondContact O-CB 3.49Å; Q1014-E1018 VanDerWaalsContact O-CG 3.27Å; Q1014-E1018 WeakPolarHBondContact O-CG 3.46Å; Q1014-E1018 PolarHBondContact O-N 3.09Å
1015	R	36.8	Very low	34.6	Very low	179 Å²	179	113.7 Å²	113.7	68%	0.675	58%	0.575	S	S	*	*	H	α-helix	trans	-68.7	-29.4	173	-84.7	-177.9	166.4	155.8	-0.6	114.5	A1011 F1012 E1018 V1019	A1011-R1015 VanDerWaalsContact O-CB 3.31Å; A1011-R1015 WeakPolarHBondContact O-CB 3.39Å; A1011-R1015 PolarHBondContact O-N 3Å; F1012-R1015 PolarHBondContact O-N 2.83Å; R1015-E1018 WeakPolarHBondContact CG-OE2 3.21Å; R1015-V1019 VanDerWaalsContact O-CB 3.3Å; R1015-V1019 WeakPolarHBondContact O-CB 3.43Å; R1015-V1019 WeakPolarHBondContact O-CG2 3.27Å; R1015-V1019 PolarHBondContact O-N 3.29Å
1016	L	38.5	Very low	35	Very low	93 Å²	93	112.1 Å²	112.1	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-46	170.7	-122.8	73.1	0	0	0	110.7	F1012 Y1013 Q1014 V1019 T1020	F1012-L1016 HydrophobicContact CE1-CD1 4.04Å; F1012-L1016 HydrophobicContact CZ-CD1 4Å; F1012-L1016 PolarHBondContact O-N 3.49Å; Y1013-L1016 PolarHBondContact O-N 3.42Å; Q1014-L1016 PolarHBondContact O-N 3.26Å; L1016-V1019 PolarHBondContact O-N 2.9Å; L1016-T1020 PolarHBondContact O-N 2.98Å; L1016-T1020 PolarHBondContact O-OG1 3.41Å; L1016-T1020 VanDerWaalsContact O-OG1 3.1Å
1017	L	39.7	Very low	35.4	Very low	114 Å²	114	110 Å²	110	60%	0.597	56%	0.557	S	S	*	*	H	α-helix	trans	-63.2	-41.8	175.3	-80.3	161.2	0	0	0	112.5	Y1013 Q1014 T1020 A1021	Y1013-L1017 WeakPolarHBondContact O-CB 3.41Å; Y1013-L1017 WeakPolarHBondContact O-CG 3.05Å; Y1013-L1017 PolarHBondContact O-N 2.61Å; Q1014-L1017 CarbonylContact O-C 3.51Å; Q1014-L1017 PolarHBondContact O-N 3.18Å; L1017-T1020 WeakPolarHBondContact CA-OG1 3.43Å; L1017-T1020 PolarHBondContact O-N 2.86Å; L1017-T1020 PolarHBondContact O-OG1 3.33Å; L1017-A1021 WeakPolarHBondContact O-CB 3.44Å; L1017-A1021 PolarHBondContact O-N 2.97Å
1018	E	37.6	Very low	35.5	Very low	116 Å²	116	109.5 Å²	109.5	54%	0.542	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-42.4	174.5	-74.1	169.7	167.3	0	0	111.4	Q1014 R1015 A1021 H1022	Q1014-E1018 WeakPolarHBondContact O-CB 3.49Å; Q1014-E1018 VanDerWaalsContact O-CG 3.27Å; Q1014-E1018 WeakPolarHBondContact O-CG 3.46Å; Q1014-E1018 PolarHBondContact O-N 3.09Å; R1015-E1018 WeakPolarHBondContact CG-OE2 3.21Å; E1018-A1021 PolarHBondContact O-N 2.8Å; E1018-H1022 WeakPolarHBondContact O-CB 3.26Å; E1018-H1022 PolarHBondContact O-N 3.5Å
1019	V	39.4	Very low	35.6	Very low	83 Å²	83	111.8 Å²	111.8	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-71.3	-30.4	179.6	169.7	0	0	0	0	112.1	R1015 L1016 R1023	R1015-V1019 VanDerWaalsContact O-CB 3.3Å; R1015-V1019 WeakPolarHBondContact O-CB 3.43Å; R1015-V1019 WeakPolarHBondContact O-CG2 3.27Å; R1015-V1019 PolarHBondContact O-N 3.29Å; L1016-V1019 PolarHBondContact O-N 2.9Å; V1019-R1023 WeakPolarHBondContact O-CB 3.43Å; V1019-R1023 WeakPolarHBondContact O-CG 3.38Å; V1019-R1023 PolarHBondContact O-N 3.24Å
1020	T	38.3	Very low	35.6	Very low	78 Å²	78	109.9 Å²	109.9	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-74.6	-46.9	168.7	51	0	0	0	0	111.6	L1016 L1017 H1022 R1023 V1024	L1016-T1020 PolarHBondContact O-N 2.98Å; L1016-T1020 PolarHBondContact O-OG1 3.41Å; L1016-T1020 VanDerWaalsContact O-OG1 3.1Å; L1017-T1020 WeakPolarHBondContact CA-OG1 3.43Å; L1017-T1020 PolarHBondContact O-N 2.86Å; L1017-T1020 PolarHBondContact O-OG1 3.33Å; T1020-H1022 PolarHBondContact O-N 3.38Å; T1020-R1023 PolarHBondContact O-N 3.43Å; T1020-R1023 VanDerWaalsContact O-N 3.17Å; T1020-V1024 WeakPolarHBondContact O-CG2 3.39Å; T1020-V1024 PolarHBondContact O-N 3.43Å
1021	A	35.7	Very low	35.4	Very low	45 Å²	45	115.7 Å²	115.7	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-62.1	-38.8	179	0	0	0	0	0	112.7	L1017 E1018 V1024 N1025	L1017-A1021 WeakPolarHBondContact O-CB 3.44Å; L1017-A1021 PolarHBondContact O-N 2.97Å; E1018-A1021 PolarHBondContact O-N 2.8Å; A1021-V1024 PolarHBondContact O-N 3.07Å; A1021-N1025 VanDerWaalsContact O-CB 3.26Å; A1021-N1025 WeakPolarHBondContact O-CB 3.39Å; A1021-N1025 VanDerWaalsContact O-CG 3.3Å; A1021-N1025 PolarHBondContact O-N 3.26Å; A1021-N1025 PolarHBondContact O-ND2 2.91Å
1022	H	36.9	Very low	35.1	Very low	118 Å²	118	121 Å²	121	55%	0.546	58%	0.582	S	S	.	*	H	α-helix	trans	-70.8	-31.9	176.7	-162	-71.1	0	0	0	112	E1018 T1020 Q1026	E1018-H1022 WeakPolarHBondContact O-CB 3.26Å; E1018-H1022 PolarHBondContact O-N 3.5Å; T1020-H1022 PolarHBondContact O-N 3.38Å; H1022-Q1026 PolarHBondContact CE1-NE2 3.43Å; H1022-Q1026 WeakPolarHBondContact O-CB 3.42Å; H1022-Q1026 VanDerWaalsContact O-CG 3.31Å; H1022-Q1026 WeakPolarHBondContact O-CG 3.38Å; H1022-Q1026 PolarHBondContact O-N 3.33Å
1023	R	36.8	Very low	34.8	Very low	178 Å²	178	119.4 Å²	119.4	67%	0.672	59%	0.587	S	S	*	*	H	α-helix	trans	-70.6	-43.4	170.3	-81.3	178.6	167.2	160.3	-1.7	112	V1019 T1020 Q1026 T1027	V1019-R1023 WeakPolarHBondContact O-CB 3.43Å; V1019-R1023 WeakPolarHBondContact O-CG 3.38Å; V1019-R1023 PolarHBondContact O-N 3.24Å; T1020-R1023 PolarHBondContact O-N 3.43Å; T1020-R1023 VanDerWaalsContact O-N 3.17Å; R1023-Q1026 PolarHBondContact O-N 3.01Å; R1023-T1027 PolarHBondContact O-N 3.11Å; R1023-T1027 VanDerWaalsContact O-N 3.08Å; R1023-T1027 PolarHBondContact O-OG1 2.95Å
1024	V	35.7	Very low	34.7	Very low	73 Å²	73	120 Å²	120	44%	0.442	60%	0.595	S	S	.	*	H	α-helix	trans	-62	-47.2	175.6	170.4	0	0	0	0	110.6	T1020 A1021 Q1026 T1027 M1028	T1020-V1024 WeakPolarHBondContact O-CG2 3.39Å; T1020-V1024 PolarHBondContact O-N 3.43Å; A1021-V1024 PolarHBondContact O-N 3.07Å; V1024-Q1026 PolarHBondContact O-N 3.19Å; V1024-T1027 WeakPolarHBondContact CA-OG1 3.46Å; V1024-T1027 CarbonylContact O-C 3.57Å; V1024-T1027 PolarHBondContact O-N 3.39Å; V1024-T1027 PolarHBondContact O-OG1 2.94Å; V1024-M1028 HydrophobicContact CG1-CG 4.28Å; V1024-M1028 WeakPolarHBondContact O-CG 3.35Å; V1024-M1028 PolarHBondContact O-N 2.76Å
1025	N	34.3	Very low	34.4	Very low	91 Å²	91	122.3 Å²	122.3	49%	0.487	61%	0.61	S	S	.	*	H	α-helix	trans	-62.9	-39.8	176.8	-76.6	-22.5	0	0	0	112.3	A1021 T1027 M1028 L1029	A1021-N1025 VanDerWaalsContact O-CB 3.26Å; A1021-N1025 WeakPolarHBondContact O-CB 3.39Å; A1021-N1025 VanDerWaalsContact O-CG 3.3Å; A1021-N1025 PolarHBondContact O-N 3.26Å; A1021-N1025 PolarHBondContact O-ND2 2.91Å; N1025-T1027 VanDerWaalsContact C-N 3.26Å; N1025-T1027 PolarHBondContact O-N 3Å; N1025-M1028 PolarHBondContact O-N 3.44Å; N1025-L1029 WeakPolarHBondContact O-CB 3.42Å; N1025-L1029 VanDerWaalsContact O-CG 3.3Å; N1025-L1029 WeakPolarHBondContact O-CG 3.44Å; N1025-L1029 PolarHBondContact O-N 3.31Å
1026	Q	35.2	Very low	34	Very low	119 Å²	119	118.8 Å²	118.8	56%	0.556	61%	0.612	S	S	*	*	H	α-helix	trans	-66	-24.4	173.2	-78.8	-176.4	-25	0	0	113.8	H1022 R1023 V1024	H1022-Q1026 PolarHBondContact CE1-NE2 3.43Å; H1022-Q1026 WeakPolarHBondContact O-CB 3.42Å; H1022-Q1026 VanDerWaalsContact O-CG 3.31Å; H1022-Q1026 WeakPolarHBondContact O-CG 3.38Å; H1022-Q1026 PolarHBondContact O-N 3.33Å; R1023-Q1026 PolarHBondContact O-N 3.01Å; V1024-Q1026 PolarHBondContact O-N 3.19Å
1027	T	35.5	Very low	33.5	Very low	103 Å²	103	122.3 Å²	122.3	63%	0.632	63%	0.631	S	S	*	*	H	α-helix	trans	-83.5	-30	169.8	48.2	0	0	0	0	113.9	R1023 V1024 N1025	R1023-T1027 PolarHBondContact O-N 3.11Å; R1023-T1027 VanDerWaalsContact O-N 3.08Å; R1023-T1027 PolarHBondContact O-OG1 2.95Å; V1024-T1027 WeakPolarHBondContact CA-OG1 3.46Å; V1024-T1027 CarbonylContact O-C 3.57Å; V1024-T1027 PolarHBondContact O-N 3.39Å; V1024-T1027 PolarHBondContact O-OG1 2.94Å; N1025-T1027 VanDerWaalsContact C-N 3.26Å; N1025-T1027 PolarHBondContact O-N 3Å
1028	M	29	Very low	33	Very low	118 Å²	118	125.2 Å²	125.2	58%	0.581	64%	0.639	S	S	*	*	H	α-helix	trans	-74.6	-38.6	176.5	-71.5	-63.6	-163.1	0	0	112.5	V1024 N1025 K1030 R1031	V1024-M1028 HydrophobicContact CG1-CG 4.28Å; V1024-M1028 WeakPolarHBondContact O-CG 3.35Å; V1024-M1028 PolarHBondContact O-N 2.76Å; N1025-M1028 PolarHBondContact O-N 3.44Å; M1028-K1030 PolarHBondContact O-N 3.07Å; M1028-R1031 PolarHBondContact O-N 2.67Å
1029	L	32	Very low	32.7	Very low	146 Å²	146	125.7 Å²	125.7	76%	0.764	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	14.6	-178.2	-73.2	167	0	0	0	114.9	N1025	N1025-L1029 WeakPolarHBondContact O-CB 3.42Å; N1025-L1029 VanDerWaalsContact O-CG 3.3Å; N1025-L1029 WeakPolarHBondContact O-CG 3.44Å; N1025-L1029 PolarHBondContact O-N 3.31Å
1030	K	33.4	Very low	32.3	Very low	142 Å²	142	129.3 Å²	129.3	62%	0.617	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	12.5	-179.2	-87	-177.3	165.7	-172.2	0	115.2	M1028 I1234	M1028-K1030 PolarHBondContact O-N 3.07Å; K1030-I1234 HydrophobicContact CB-CD1 3.94Å; K1030-I1234 HydrophobicContact CD-CD1 3.81Å; K1030-I1234 HydrophobicContact CG-CD1 4.02Å
1031	R	30.9	Very low	31.8	Very low	183 Å²	183	132.7 Å²	132.7	69%	0.691	67%	0.672	S	S	*	*	S	Bend	trans	-134.9	3.4	178.7	-81.8	-166.8	167.7	127.3	-0.3	117.7	M1028 S1236	M1028-R1031 PolarHBondContact O-N 2.67Å; R1031-S1236 PolarHBondContact NH2-OG 3.27Å
1032	N	27.3	Very low	31.3	Very low	158 Å²	158	138 Å²	138	85%	0.845	69%	0.687	S	S	*	*			trans	-104.6	91	179.2	-76.2	-13.1	0	0	0	112.9
1033	S	28.1	Very low	30.8	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	70%	0.699	S	S	*	*			trans	-152.6	130.9	164.4	55.6	0	0	0	0	110.5
1034	H	32.3	Very low	30.3	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.806	71%	0.706	S	S	*	*			trans	64.6	98	-173.2	-60.8	-85.1	0	0	0	114.3
1035	I	29.2	Very low	29.8	Very low	159 Å²	159	145.6 Å²	145.6	82%	0.815	73%	0.725	S	S	*	*				57.8	121.8	52.6	-47.1	174.1	0	0	0	110.1
1036	S	28.2	Very low	29.4	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	73%	0.732	S	S	*	*			cis	-138	148.5	32.1	-159.6	0	0	0	0	115.6
1037	L	28.8	Very low	28.9	Very low	166 Å²	166	148 Å²	148	87%	0.869	74%	0.735	S	S	*	*			trans	-82.1	147	156.2	-74.4	161.5	0	0	0	110.4
1038	K	29.3	Very low	28.7	Very low	176 Å²	176	148 Å²	148	77%	0.765	75%	0.746	S	S	*	*			trans	-173.8	141.4	154.4	-88	-162.2	161.9	-86	0	107.5
1039	D	31.3	Very low	28.5	Very low	125 Å²	125	148.6 Å²	148.6	67%	0.668	75%	0.751	S	S	*	*			cis	-148.9	156.5	-22.4	-88.6	-39.1	0	0	0	105.8
1040	N	29.8	Very low	28.2	Very low	160 Å²	160	146.6 Å²	146.6	86%	0.856	75%	0.749	S	S	*	*			trans	-66.6	147	168.6	-69	-46.7	0	0	0	110.2
1041	E	27.3	Very low	27.9	Very low	149 Å²	149	148.1 Å²	148.1	70%	0.696	76%	0.763	S	S	*	*				-176.4	136.4	128.6	-103.7	-174	172.4	0	0	115.3
1042	K	26.4	Very low	27.8	Very low	157 Å²	157	143.8 Å²	143.8	68%	0.683	77%	0.767	S	S	*	*			trans	66.8	126.4	141.9	-67.5	163.5	-171.1	155.3	0	121.7
1043	L	25.9	Very low	27.7	Very low	154 Å²	154	146.2 Å²	146.2	81%	0.806	77%	0.77	S	S	*	*			trans	-29.1	146.3	147.2	-56.6	71.3	0	0	0	114.2
1044	L	27.2	Very low	27.7	Very low	158 Å²	158	149.4 Å²	149.4	83%	0.827	78%	0.78	S	S	*	*				-178.1	119.6	116.3	-98.4	161.9	0	0	0	114.8
1045	Y	23.7	Very low	27.4	Very low	215 Å²	215	144.4 Å²	144.4	84%	0.843	78%	0.775	S	S	*	*			trans	77.6	153.5	133.2	-137.1	-102.6	0	0	0	122.5
1046	N	27.3	Very low	27.2	Very low	118 Å²	118	141 Å²	141	63%	0.631	78%	0.779	S	S	*	*			trans	-97	176	-171	-74.3	-23	0	0	0	114.7
1047	K	24.7	Very low	27.1	Very low	142 Å²	142	139.9 Å²	139.9	62%	0.617	78%	0.784	S	S	*	*			trans	79.1	108.1	152.8	-82.1	-179.9	162.5	87.9	0	120.5	E598 L1049	E598-K1047 IonicContact OE1-NZ 3.76Å; E598-K1047 IonicContact OE2-NZ 2.57Å; E598-K1047 PolarHBondContact OE2-NZ 2.8Å; K1047-L1049 HydrophobicContact CD-CD1 4.42Å
1048	A	31.1	Very low	27.1	Very low	104 Å²	104	136.8 Å²	136.8	86%	0.86	78%	0.776	S	S	*	*			trans	-166.8	93.8	142.9	0	0	0	0	0	107.3
1049	L	25.4	Very low	27	Very low	130 Å²	130	137.3 Å²	137.3	68%	0.681	78%	0.778	S	S	*	*			cis	82.7	99.6	36.1	-134.8	-175.2	0	0	0	114.6	K1047	K1047-L1049 HydrophobicContact CD-CD1 4.42Å
1050	S	25.1	Very low	26.9	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	79%	0.79	S	S	*	*			trans	79.2	163.5	154.1	-91.2	0	0	0	0	122.8
1051	L	26.3	Very low	26.9	Very low	174 Å²	174	145.6 Å²	145.6	91%	0.911	79%	0.794	S	S	*	*			trans	82.9	119.5	179	-51.4	-179.9	0	0	0	115.1
1052	A	29.7	Very low	26.9	Very low	93 Å²	93	141.4 Å²	141.4	77%	0.769	79%	0.791	S	S	*	*			cis	-153	152.5	0.3	0	0	0	0	0	113.9
1053	F	25.1	Very low	27	Very low	208 Å²	208	140.9 Å²	140.9	91%	0.912	80%	0.801	S	S	*	*			trans	-71.2	149.8	155.7	-73	-110	0	0	0	109.5
1054	D	26.8	Very low	27.1	Very low	167 Å²	167	138.1 Å²	138.1	89%	0.893	80%	0.795	S	S	*	*				176.2	168.3	104.3	-142.5	-23.4	0	0	0	113.3
1055	G	26	Very low	27.1	Very low	68 Å²	68	136.5 Å²	136.5	70%	0.701	79%	0.792	S	S	*	*			trans	83.2	84.7	142.4	0	0	0	0	0	120.6
1056	G	25.5	Very low	27.4	Very low	88 Å²	88	136.6 Å²	136.6	91%	0.907	79%	0.791	S	S	*	*			trans	-81	175.6	170.1	0	0	0	0	0	116.1
1057	G	27.2	Very low	27.7	Very low	81 Å²	81	136.1 Å²	136.1	84%	0.835	79%	0.794	S	S	*	*			trans	-167.1	70.3	-172.8	0	0	0	0	0	120.5
1058	S	27.4	Very low	28	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	80%	0.799	S	S	*	*			trans	23.3	120.7	152.2	-75.1	0	0	0	0	124.4
1059	K	28	Very low	28	Very low	186 Å²	186	136.3 Å²	136.3	81%	0.809	79%	0.787	S	S	*	*				51.6	122.4	119.5	-57.3	164.5	-178.9	164	0	121.9
1060	R	29.4	Very low	28.2	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.909	79%	0.789	S	S	*	*				171.3	126.3	114.8	-90.7	158.6	-175.3	-164.4	2.1	109.5
1061	K	28.4	Very low	28.4	Very low	218 Å²	218	139 Å²	139	95%	0.948	79%	0.786	S	S	*	*				75.6	111.3	63.4	-93.1	-156.7	173.2	-167.4	0	116.1
1062	G	29.1	Very low	28.6	Very low	61 Å²	61	134.3 Å²	134.3	63%	0.629	77%	0.765	S	S	*	*			trans	159.5	111.7	159	0	0	0	0	0	111.2
1063	T	28.8	Very low	28.5	Very low	147 Å²	147	136 Å²	136	90%	0.902	76%	0.762	S	S	*	*				65.5	130.4	71.3	64	0	0	0	0	113.5
1064	S	26.7	Very low	28.7	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	75%	0.747	S	S	*	*			cis	-168.4	164.4	8	-164.1	0	0	0	0	113
1065	T	28.1	Very low	28.9	Very low	124 Å²	124	133.5 Å²	133.5	76%	0.761	75%	0.746	S	S	*	*			trans	61.7	142.4	153.6	42	0	0	0	0	119.4
1066	R	28.7	Very low	29.3	Very low	217 Å²	217	135.3 Å²	135.3	82%	0.819	75%	0.746	S	S	*	*			cis	125.6	166.1	21.1	-121	-163.9	176.6	-172.3	0.2	108.5
1067	P	34.6	Very low	29.6	Very low	107 Å²	107	140 Å²	140	70%	0.695	74%	0.741	S	S	*	*				-132	-158.2	-108.4	43.1	-25	0	0	0	114.7
1068	N	30.2	Very low	29.8	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	74%	0.742	S	S	*	*				125.7	149.8	129.7	-144.1	-2.3	0	0	0	118.2
1069	N	30.3	Very low	30	Very low	115 Å²	115	141.8 Å²	141.8	62%	0.615	74%	0.735	S	S	*	*			trans	76.2	100.9	153.5	-74.5	-44.1	0	0	0	124.4
1070	N	30.9	Very low	30.3	Very low	132 Å²	132	141.8 Å²	141.8	71%	0.706	74%	0.736	S	S	*	*				73.8	130	112.2	-86.6	-60	0	0	0	125.3
1071	K	29.4	Very low	30.4	Very low	157 Å²	157	138.7 Å²	138.7	68%	0.683	73%	0.729	S	S	*	*			trans	83.9	106.5	136.8	-78.7	-173.7	175.9	175.5	0	125.1	N822	N822-K1071 PolarHBondContact ND2-O 3.02Å
1072	V	29.2	Very low	30.5	Very low	77 Å²	77	133.8 Å²	133.8	47%	0.467	72%	0.716	S	S	.	*				84.8	117.3	114.1	169.5	0	0	0	0	122.7	N822	N822-V1072 WeakPolarHBondContact CA-O 3.42Å; N822-V1072 PolarHBondContact N-O 2.79Å; N822-V1072 PolarHBondContact ND2-O 3.24Å; N822-V1072 WeakPolarHBondContact OD1-CB 3.21Å; N822-V1072 WeakPolarHBondContact OD1-CG1 3.41Å
1073	N	29.1	Very low	30.6	Very low	129 Å²	129	137.4 Å²	137.4	69%	0.69	72%	0.721	S	S	*	*			trans	56.6	145.1	142.8	-63.7	-6.2	0	0	0	125.3	N822	N822-N1073 PolarHBondContact N-O 3.44Å
1074	S	28	Very low	30.7	Very low	86 Å²	86	136 Å²	136	60%	0.601	71%	0.712	S	S	*	*			trans	119.4	98.5	133.5	-47.3	0	0	0	0	120.3
1075	R	32.4	Very low	30.8	Very low	235 Å²	235	135.7 Å²	135.7	89%	0.887	71%	0.71	S	S	*	*			trans	-22.7	156.6	138.7	-118.7	180	176.6	-178.9	1	116.2
1076	P	34.1	Very low	31	Very low	107 Å²	107	137 Å²	137	70%	0.695	71%	0.712	S	S	*	*				-157.9	159.2	79.2	40.9	-21.2	0	0	0	120.7
1077	K	32	Very low	31	Very low	186 Å²	186	131.1 Å²	131.1	81%	0.809	70%	0.704	S	S	*	*			trans	46.9	134.8	139.6	-61.7	168.1	-176	171.3	0	120.5
1078	T	31.8	Very low	30.9	Very low	137 Å²	137	133.4 Å²	133.4	84%	0.84	71%	0.706	S	S	*	*				179.7	169.2	91.5	33.6	0	0	0	0	109.9
1079	S	30.6	Very low	30.9	Very low	83 Å²	83	134 Å²	134	58%	0.58	71%	0.709	S	S	*	*			cis	-169.7	175.3	-21.7	58.4	0	0	0	0	110.3
1080	K	34.4	Very low	31	Very low	187 Å²	187	135.2 Å²	135.2	81%	0.813	71%	0.711	S	S	*	*			trans	75.8	140.2	165.7	-59.5	168.3	-172.8	171.3	0	116.2
1081	K	32.7	Very low	31	Very low	176 Å²	176	138.1 Å²	138.1	77%	0.765	72%	0.718	S	S	*	*			cis	-166.3	154.3	-3.2	-125.2	-172.7	166.3	-170.4	0	112.4
1082	V	30.3	Very low	31.4	Very low	114 Å²	114	135.4 Å²	135.4	69%	0.691	72%	0.716	S	S	*	*			trans	69.4	137.2	139.8	157.9	0	0	0	0	119
1083	L	30.3	Very low	31.6	Very low	138 Å²	138	139.2 Å²	139.2	72%	0.723	73%	0.734	S	S	*	*			cis	-157.7	169.8	-9.3	-107	174.4	0	0	0	112.1
1084	T	30.1	Very low	31.9	Very low	117 Å²	117	141.9 Å²	141.9	72%	0.718	74%	0.739	S	S	*	*			trans	-20.7	170.7	157.1	53.9	0	0	0	0	120.2
1085	S	28.9	Very low	32.2	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	74%	0.743	S	S	*	*			cis	-161.1	-168.2	-9.2	37.6	0	0	0	0	107.1
1086	D	32.4	Very low	32.2	Very low	152 Å²	152	137.3 Å²	137.3	81%	0.813	74%	0.74	S	S	*	*			cis	-150.7	-177.2	31.4	-61.6	-63.6	0	0	0	111.9
1087	S	28.7	Very low	32.1	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	74%	0.743	S	S	*	*			trans	-125.2	-165.2	-167.9	41.2	0	0	0	0	114.6
1088	E	32.9	Very low	32	Very low	156 Å²	156	135.9 Å²	135.9	73%	0.729	74%	0.742	S	S	*	*			trans	71.6	147.4	173.5	-72.8	110.8	-99.5	0	0	118
1089	D	31.5	Very low	31.9	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	73%	0.731	S	S	*	*			cis	-153.1	176.6	3.6	-128	-20.7	0	0	0	114.8
1090	E	30.5	Very low	32	Very low	140 Å²	140	134.3 Å²	134.3	65%	0.654	74%	0.741	S	S	*	*			trans	-77.7	-178.4	179.1	-86.2	-80.4	28.2	0	0	114.2
1091	F	31.5	Very low	31.9	Very low	192 Å²	192	131.2 Å²	131.2	84%	0.842	74%	0.743	S	S	*	*			cis	-148.6	171.1	29.2	-87.7	-92.8	0	0	0	114.2
1092	P	38.4	Very low	31.8	Very low	100 Å²	100	128.8 Å²	128.8	65%	0.649	75%	0.748	S	S	*	*			trans	-114.1	175.9	-176.9	42.5	-33.6	0	0	0	115.6
1093	D	33.9	Very low	31.9	Very low	158 Å²	158	129.6 Å²	129.6	85%	0.845	75%	0.753	S	S	*	*			trans	-158.4	-178.7	146.1	-131.5	-33.1	0	0	0	116.5
1094	K	33.7	Very low	32	Very low	184 Å²	184	127.2 Å²	127.2	80%	0.8	75%	0.749	S	S	*	*			trans	-120.8	-171.6	-155.4	-87.8	174.5	-178.5	170.1	0	114.9
1095	P	36.1	Very low	32.1	Very low	104 Å²	104	128.3 Å²	128.3	68%	0.675	76%	0.755	S	S	*	*			cis	-137.5	-167.1	-38.4	37	-18	0	0	0	114.5
1096	C	31.6	Very low	32.6	Very low	122 Å²	122	127.1 Å²	127.1	82%	0.824	76%	0.757	S	S	*	*			trans	72.3	145.3	161.9	-65.2	0	0	0	0	117.8
1097	S	31.5	Very low	33	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	76%	0.758	S	S	*	*			cis	-167.7	179.6	-16.5	64.6	0	0	0	0	107.4
1098	I	30.6	Very low	33.5	Very low	154 Å²	154	135.2 Å²	135.2	79%	0.79	76%	0.762	S	S	*	*			cis	-155.1	-168.7	3.3	-155.4	164.4	0	0	0	108.9
1099	A	30.1	Very low	34.3	Very low	75 Å²	75	133 Å²	133	62%	0.62	76%	0.755	S	S	*	*			trans	46.6	92.8	163	0	0	0	0	0	118.6
1100	S	32.1	Very low	35.1	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	74%	0.74	S	S	*	*				74.7	124.9	84.7	69.6	0	0	0	0	115.6
1101	S	31.5	Very low	36.3	Very low	122 Å²	122	128.3 Å²	128.3	85%	0.853	74%	0.738	S	S	*	*			cis	-155	138.7	-3.3	55	0	0	0	0	110.5
1102	S	32	Very low	37.9	Very low	125 Å²	125	123 Å²	123	87%	0.874	72%	0.717	S	S	*	*			trans	-111.3	156.9	-166.8	58.8	0	0	0	0	115.1
1103	T	31.1	Very low	39.3	Very low	130 Å²	130	122.3 Å²	122.3	80%	0.798	71%	0.708	S	S	*	*			trans	-100.6	159.4	-177.2	47.9	0	0	0	0	114
1104	S	33.1	Very low	40.9	Very low	89 Å²	89	122.3 Å²	122.3	62%	0.622	70%	0.7	S	S	*	*			trans	76.5	96.1	153.5	74.5	0	0	0	0	120.3
1105	T	32.4	Very low	42.6	Very low	139 Å²	139	119.5 Å²	119.5	85%	0.853	69%	0.69	S	S	*	*	S	Bend	trans	-120.9	7.3	160.8	44.6	0	0	0	0	114.3
1106	G	38.4	Very low	44.4	Very low	64 Å²	64	120.5 Å²	120.5	66%	0.66	69%	0.685	S	S	*	*	S	Bend	trans	-89.5	-26.8	178.7	0	0	0	0	0	116.7
1107	R	41.3	Very low	46.5	Very low	223 Å²	223	120.4 Å²	120.4	84%	0.842	67%	0.673	S	S	*	*	H	α-helix	trans	-85	-19.2	-167.5	-101.9	-176.9	177.2	176	-0.5	116.4
1108	R	40.2	Very low	48.3	Very low	193 Å²	193	118.1 Å²	118.1	73%	0.728	66%	0.66	S	S	*	*	H	α-helix	trans	-74.5	-40.5	-176.6	-70.9	-174.9	178	121.9	2.3	112.5	A1110 H1111 I1112	R1108-A1110 PolarHBondContact O-N 2.67Å; R1108-H1111 PolarHBondContact O-N 2.97Å; R1108-I1112 PolarHBondContact O-N 2.99Å
1109	N	47.9	Very low	50.3	Low	108 Å²	108	113.1 Å²	113.1	58%	0.578	64%	0.642	S	S	*	*	H	α-helix	trans	-66.1	-38.4	-178	-66.8	5.7	0	0	0	112.1	H1111 I1112 I1113	N1109-H1111 VanDerWaalsContact C-N 3.29Å; N1109-H1111 PolarHBondContact O-N 3.09Å; N1109-I1112 PolarHBondContact O-N 3.4Å; N1109-I1112 VanDerWaalsContact O-N 3.14Å; N1109-I1113 VanDerWaalsContact O-CG1 3.29Å; N1109-I1113 WeakPolarHBondContact O-CG1 3.48Å; N1109-I1113 PolarHBondContact O-N 2.8Å
1110	A	48.4	Very low	52.4	Low	58 Å²	58	112 Å²	112	48%	0.479	63%	0.632	S	S	.	*	H	α-helix	trans	-59.7	-36.6	177.9	0	0	0	0	0	113.3	R1108 K1114	R1108-A1110 PolarHBondContact O-N 2.67Å; A1110-K1114 PolarHBondContact O-N 3.19Å
1111	H	56.5	Low	54.4	Low	133 Å²	133	111.7 Å²	111.7	62%	0.616	62%	0.622	S	S	*	*	H	α-helix	trans	-71.8	-38.1	176.1	-164.4	-59.5	0	0	0	111.9	R1108 N1109 Q1115	R1108-H1111 PolarHBondContact O-N 2.97Å; N1109-H1111 VanDerWaalsContact C-N 3.29Å; N1109-H1111 PolarHBondContact O-N 3.09Å; H1111-Q1115 VanDerWaalsContact O-CB 3.26Å; H1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; H1111-Q1115 PolarHBondContact O-N 2.95Å
1112	I	65	Low	56.5	Low	81 Å²	81	108.6 Å²	108.6	42%	0.415	60%	0.603	S	S	.	*	H	α-helix	trans	-65.5	-43.4	175.8	-65.1	168	0	0	0	110.2	R1108 N1109 Q1115 Q1116	R1108-I1112 PolarHBondContact O-N 2.99Å; N1109-I1112 PolarHBondContact O-N 3.4Å; N1109-I1112 VanDerWaalsContact O-N 3.14Å; I1112-Q1115 PolarHBondContact O-N 3.43Å; I1112-Q1116 HydrophobicContact CG2-CG 4.42Å; I1112-Q1116 WeakPolarHBondContact O-CB 3.38Å; I1112-Q1116 VanDerWaalsContact O-CG 3.29Å; I1112-Q1116 WeakPolarHBondContact O-CG 3.36Å; I1112-Q1116 PolarHBondContact O-N 2.68Å
1113	I	68.3	Low	58.4	Low	86 Å²	86	111.2 Å²	111.2	44%	0.441	59%	0.594	S	S	.	*	H	α-helix	trans	-62.1	-49.4	177.1	-68.4	164	0	0	0	110.6	N1109 Q1115 Q1116 Q1117	N1109-I1113 VanDerWaalsContact O-CG1 3.29Å; N1109-I1113 WeakPolarHBondContact O-CG1 3.48Å; N1109-I1113 PolarHBondContact O-N 2.8Å; I1113-Q1115 VanDerWaalsContact C-N 3.31Å; I1113-Q1115 PolarHBondContact O-N 3.48Å; I1113-Q1116 PolarHBondContact O-N 3.2Å; I1113-Q1117 HydrophobicContact CG2-CG 4.42Å; I1113-Q1117 WeakPolarHBondContact O-CB 3.4Å; I1113-Q1117 WeakPolarHBondContact O-CG 3.35Å; I1113-Q1117 PolarHBondContact O-N 3.41Å
1114	K	67.5	Low	60.6	Low	158 Å²	158	110.4 Å²	110.4	69%	0.687	58%	0.584	S	S	*	*	H	α-helix	trans	-60	-39.6	175.5	-79.8	-158.4	169.6	-155.8	0	112.7	A1110 Q1117 A1118	A1110-K1114 PolarHBondContact O-N 3.19Å; K1114-Q1117 PolarHBondContact O-N 2.88Å; K1114-A1118 WeakPolarHBondContact O-CB 3.37Å; K1114-A1118 PolarHBondContact O-N 3.02Å
1115	Q	69.3	Low	62.7	Low	125 Å²	125	110.9 Å²	110.9	58%	0.584	58%	0.579	S	S	*	*	H	α-helix	trans	-69.1	-34.5	177.9	-168.6	171.8	12.4	0	0	112.4	H1111 I1112 I1113 A1119	H1111-Q1115 VanDerWaalsContact O-CB 3.26Å; H1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; H1111-Q1115 PolarHBondContact O-N 2.95Å; I1112-Q1115 PolarHBondContact O-N 3.43Å; I1113-Q1115 VanDerWaalsContact C-N 3.31Å; I1113-Q1115 PolarHBondContact O-N 3.48Å; Q1115-A1119 VanDerWaalsContact O-CB 3.29Å; Q1115-A1119 WeakPolarHBondContact O-CB 3.46Å; Q1115-A1119 PolarHBondContact O-N 3.36Å
1116	Q	74.6	Confident	64.6	Low	124 Å²	124	110.5 Å²	110.5	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-70	-40.9	172.2	-74.5	173.6	-7.5	0	0	112	I1112 I1113 A1119 A1120	I1112-Q1116 HydrophobicContact CG2-CG 4.42Å; I1112-Q1116 WeakPolarHBondContact O-CB 3.38Å; I1112-Q1116 VanDerWaalsContact O-CG 3.29Å; I1112-Q1116 WeakPolarHBondContact O-CG 3.36Å; I1112-Q1116 PolarHBondContact O-N 2.68Å; I1113-Q1116 PolarHBondContact O-N 3.2Å; Q1116-A1119 PolarHBondContact O-N 3.4Å; Q1116-A1120 WeakPolarHBondContact O-CB 3.46Å; Q1116-A1120 PolarHBondContact O-N 3.39Å
1117	Q	74.3	Confident	66.4	Low	121 Å²	121	111.8 Å²	111.8	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-62.7	-46.8	174.7	-74.2	171.3	-35.5	0	0	111.5	I1113 K1114 A1119 A1120 L1121	I1113-Q1117 HydrophobicContact CG2-CG 4.42Å; I1113-Q1117 WeakPolarHBondContact O-CB 3.4Å; I1113-Q1117 WeakPolarHBondContact O-CG 3.35Å; I1113-Q1117 PolarHBondContact O-N 3.41Å; K1114-Q1117 PolarHBondContact O-N 2.88Å; Q1117-A1119 PolarHBondContact O-N 2.86Å; Q1117-A1120 PolarHBondContact O-N 3.13Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.41Å; Q1117-L1121 PolarHBondContact O-N 3.41Å
1118	A	68.9	Low	67.5	Low	59 Å²	59	110.2 Å²	110.2	49%	0.488	55%	0.55	S	S	.	*	H	α-helix	trans	-61.3	-41.6	174.9	0	0	0	0	0	112.1	K1114 A1120 L1121 A1122	K1114-A1118 WeakPolarHBondContact O-CB 3.37Å; K1114-A1118 PolarHBondContact O-N 3.02Å; A1118-A1120 VanDerWaalsContact C-N 3.33Å; A1118-A1120 PolarHBondContact O-N 2.71Å; A1118-L1121 PolarHBondContact O-N 3.03Å; A1118-A1122 WeakPolarHBondContact O-CB 3.25Å; A1118-A1122 PolarHBondContact O-N 3.5Å
1119	A	74.4	Confident	68.9	Low	49 Å²	49	104.3 Å²	104.3	41%	0.405	54%	0.539	S	S	.	.	H	α-helix	trans	-68.2	-29.7	175.5	0	0	0	0	0	113.3	Q1115 Q1116 Q1117 R1123	Q1115-A1119 VanDerWaalsContact O-CB 3.29Å; Q1115-A1119 WeakPolarHBondContact O-CB 3.46Å; Q1115-A1119 PolarHBondContact O-N 3.36Å; Q1116-A1119 PolarHBondContact O-N 3.4Å; Q1117-A1119 PolarHBondContact O-N 2.86Å; A1119-R1123 VanDerWaalsContact O-CG 3.29Å; A1119-R1123 WeakPolarHBondContact O-CG 3.43Å; A1119-R1123 PolarHBondContact O-N 2.91Å
1120	A	73.9	Confident	69.9	Low	51 Å²	51	102.8 Å²	102.8	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-73.4	-43.1	173	0	0	0	0	0	111.6	Q1116 Q1117 A1118 R1123 L1124	Q1116-A1120 WeakPolarHBondContact O-CB 3.46Å; Q1116-A1120 PolarHBondContact O-N 3.39Å; Q1117-A1120 PolarHBondContact O-N 3.13Å; A1118-A1120 VanDerWaalsContact C-N 3.33Å; A1118-A1120 PolarHBondContact O-N 2.71Å; A1120-R1123 PolarHBondContact O-N 3.39Å; A1120-L1124 PolarHBondContact O-N 3.39Å
1121	L	74.5	Confident	70.5	Confident	108 Å²	108	107.5 Å²	107.5	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-61.6	-46.7	174.6	-168.3	79.2	0	0	0	111.1	Q1117 A1118 R1123 L1124 I1125	Q1117-L1121 WeakPolarHBondContact O-CB 3.41Å; Q1117-L1121 PolarHBondContact O-N 3.41Å; A1118-L1121 PolarHBondContact O-N 3.03Å; L1121-R1123 VanDerWaalsContact C-N 3.26Å; L1121-R1123 PolarHBondContact O-N 3.28Å; L1121-L1124 PolarHBondContact O-N 2.97Å; L1121-L1124 VanDerWaalsContact O-N 3.08Å; L1121-I1125 HydrophobicContact CD2-CD1 4.25Å; L1121-I1125 HydrophobicContact CG-CD1 3.99Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.43Å; L1121-I1125 PolarHBondContact O-N 2.84Å
1122	A	73.7	Confident	70.6	Confident	57 Å²	57	106 Å²	106	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-59.6	-36.5	176.3	0	0	0	0	0	112.4	A1118 Q1126	A1118-A1122 WeakPolarHBondContact O-CB 3.25Å; A1118-A1122 PolarHBondContact O-N 3.5Å; A1122-Q1126 VanDerWaalsContact O-CB 3.27Å; A1122-Q1126 WeakPolarHBondContact O-CB 3.32Å; A1122-Q1126 PolarHBondContact O-N 2.98Å
1123	R	73.1	Confident	69.8	Low	179 Å²	179	108 Å²	108	68%	0.675	54%	0.537	S	S	*	.	H	α-helix	trans	-69.3	-39.9	172	-76.4	175	-176.7	-177	2.8	112.9	A1119 A1120 L1121 Q1126 E1127	A1119-R1123 VanDerWaalsContact O-CG 3.29Å; A1119-R1123 WeakPolarHBondContact O-CG 3.43Å; A1119-R1123 PolarHBondContact O-N 2.91Å; A1120-R1123 PolarHBondContact O-N 3.39Å; L1121-R1123 VanDerWaalsContact C-N 3.26Å; L1121-R1123 PolarHBondContact O-N 3.28Å; R1123-Q1126 PolarHBondContact O-N 2.9Å; R1123-E1127 WeakPolarHBondContact O-CB 3.31Å; R1123-E1127 PolarHBondContact O-N 2.81Å
1124	L	77.1	Confident	68.9	Low	114 Å²	114	106.9 Å²	106.9	60%	0.597	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-40.8	175.5	-88.1	164.7	0	0	0	112.1	A1120 L1121 E1127 R1128	A1120-L1124 PolarHBondContact O-N 3.39Å; L1121-L1124 PolarHBondContact O-N 2.97Å; L1121-L1124 VanDerWaalsContact O-N 3.08Å; L1124-E1127 PolarHBondContact O-N 3.28Å; L1124-R1128 WeakPolarHBondContact O-CB 3.17Å; L1124-R1128 PolarHBondContact O-N 3.25Å
1125	I	76.2	Confident	68.1	Low	98 Å²	98	103.6 Å²	103.6	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-50.3	172.5	-67.4	165.3	0	0	0	109.4	L1121 E1127 R1128 S1129	L1121-I1125 HydrophobicContact CD2-CD1 4.25Å; L1121-I1125 HydrophobicContact CG-CD1 3.99Å; L1121-I1125 WeakPolarHBondContact O-CG1 3.43Å; L1121-I1125 PolarHBondContact O-N 2.84Å; I1125-E1127 VanDerWaalsContact C-N 3.32Å; I1125-E1127 PolarHBondContact O-N 3.34Å; I1125-R1128 PolarHBondContact O-N 3.28Å; I1125-S1129 WeakPolarHBondContact O-CB 3.41Å; I1125-S1129 PolarHBondContact O-N 3.24Å; I1125-S1129 PolarHBondContact O-OG 3.43Å
1126	Q	72.9	Confident	66.8	Low	131 Å²	131	100.2 Å²	100.2	61%	0.612	52%	0.52	S	S	*	.	H	α-helix	trans	-60.8	-39.7	177.6	-170.1	172.4	21.5	0	0	112.1	A1122 R1123 T1130	A1122-Q1126 VanDerWaalsContact O-CB 3.27Å; A1122-Q1126 WeakPolarHBondContact O-CB 3.32Å; A1122-Q1126 PolarHBondContact O-N 2.98Å; R1123-Q1126 PolarHBondContact O-N 2.9Å; Q1126-T1130 WeakPolarHBondContact O-CG2 3.49Å; Q1126-T1130 PolarHBondContact O-N 3.29Å; Q1126-T1130 PolarHBondContact O-OG1 3.01Å; Q1126-T1130 VanDerWaalsContact O-OG1 3.09Å
1127	E	75.8	Confident	65.3	Low	92 Å²	92	98.6 Å²	98.6	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-50	172.5	-86.6	-165.6	-143.9	0	0	111.3	R1123 L1124 I1125 S1129 T1130 R1131	R1123-E1127 WeakPolarHBondContact O-CB 3.31Å; R1123-E1127 PolarHBondContact O-N 2.81Å; L1124-E1127 PolarHBondContact O-N 3.28Å; I1125-E1127 VanDerWaalsContact C-N 3.32Å; I1125-E1127 PolarHBondContact O-N 3.34Å; E1127-S1129 VanDerWaalsContact C-N 3.34Å; E1127-S1129 PolarHBondContact O-N 3.21Å; E1127-T1130 WeakPolarHBondContact CA-OG1 3.39Å; E1127-T1130 CarbonylContact O-C 3.59Å; E1127-T1130 PolarHBondContact O-N 3.23Å; E1127-T1130 VanDerWaalsContact O-N 3.11Å; E1127-T1130 PolarHBondContact O-OG1 2.86Å; E1127-R1131 WeakPolarHBondContact O-CG 3.48Å; E1127-R1131 PolarHBondContact O-N 3.37Å; E1127-R1131 IonicContact OE2-CZ 2.67Å; E1127-R1131 IonicContact OE2-NE 2.81Å; E1127-R1131 IonicContact OE2-NH2 3.19Å; E1127-R1131 PolarHBondContact OE2-NH2 2.95Å
1128	R	65.7	Low	63.8	Low	189 Å²	189	95.1 Å²	95.1	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-59.8	-43.2	178	-165.2	174	-176.5	179.5	0.2	111	L1124 I1125 R1131 I1132	L1124-R1128 WeakPolarHBondContact O-CB 3.17Å; L1124-R1128 PolarHBondContact O-N 3.25Å; I1125-R1128 PolarHBondContact O-N 3.28Å; R1128-R1131 PolarHBondContact O-N 3.05Å; R1128-I1132 HydrophobicContact CG-CD1 4.07Å; R1128-I1132 WeakPolarHBondContact O-CB 3.13Å; R1128-I1132 VanDerWaalsContact O-CG1 3.3Å; R1128-I1132 WeakPolarHBondContact O-CG1 3.42Å; R1128-I1132 PolarHBondContact O-N 3.27Å
1129	S	69.5	Low	62.5	Low	70 Å²	70	95.3 Å²	95.3	49%	0.49	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-44.2	172.1	-58.2	0	0	0	0	112.5	I1125 E1127 R1133	I1125-S1129 WeakPolarHBondContact O-CB 3.41Å; I1125-S1129 PolarHBondContact O-N 3.24Å; I1125-S1129 PolarHBondContact O-OG 3.43Å; E1127-S1129 VanDerWaalsContact C-N 3.34Å; E1127-S1129 PolarHBondContact O-N 3.21Å; S1129-R1133 WeakPolarHBondContact O-CB 3.23Å; S1129-R1133 PolarHBondContact O-N 3.2Å
1130	T	68.8	Low	60.9	Low	76 Å²	76	98.1 Å²	98.1	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-71.4	-28.4	176.4	56.5	0	0	0	0	113.2	Q1126 E1127 S1134	Q1126-T1130 WeakPolarHBondContact O-CG2 3.49Å; Q1126-T1130 PolarHBondContact O-N 3.29Å; Q1126-T1130 PolarHBondContact O-OG1 3.01Å; Q1126-T1130 VanDerWaalsContact O-OG1 3.09Å; E1127-T1130 WeakPolarHBondContact CA-OG1 3.39Å; E1127-T1130 CarbonylContact O-C 3.59Å; E1127-T1130 PolarHBondContact O-N 3.23Å; E1127-T1130 VanDerWaalsContact O-N 3.11Å; E1127-T1130 PolarHBondContact O-OG1 2.86Å; T1130-S1134 WeakPolarHBondContact O-CB 3.5Å; T1130-S1134 PolarHBondContact O-N 2.84Å; T1130-S1134 PolarHBondContact O-OG 2.86Å; T1130-S1134 VanDerWaalsContact O-OG 3.14Å
1131	R	60.8	Low	59.1	Low	156 Å²	156	101.4 Å²	101.4	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-68.7	-53.9	173.1	-73.4	-176.7	-158.9	-150.4	7.9	110.4	E1127 R1128 R1133 S1134 T1135	E1127-R1131 WeakPolarHBondContact O-CG 3.48Å; E1127-R1131 PolarHBondContact O-N 3.37Å; E1127-R1131 IonicContact OE2-CZ 2.67Å; E1127-R1131 IonicContact OE2-NE 2.81Å; E1127-R1131 IonicContact OE2-NH2 3.19Å; E1127-R1131 PolarHBondContact OE2-NH2 2.95Å; R1128-R1131 PolarHBondContact O-N 3.05Å; R1131-R1133 PolarHBondContact O-N 2.9Å; R1131-S1134 WeakPolarHBondContact CA-OG 3.34Å; R1131-S1134 CarbonylContact O-C 3.57Å; R1131-S1134 WeakPolarHBondContact O-CA 3.25Å; R1131-S1134 PolarHBondContact O-N 2.88Å; R1131-S1134 PolarHBondContact O-OG 3.37Å; R1131-T1135 PolarHBondContact O-N 3.37Å; R1131-T1135 PolarHBondContact O-OG1 3.25Å
1132	I	59.6	Low	57.5	Low	103 Å²	103	104.1 Å²	104.1	53%	0.528	53%	0.527	S	S	.	.	H	α-helix	trans	-55.1	-41.9	174.7	-66.6	164.8	0	0	0	110.7	R1128 T1135 S1136	R1128-I1132 HydrophobicContact CG-CD1 4.07Å; R1128-I1132 WeakPolarHBondContact O-CB 3.13Å; R1128-I1132 VanDerWaalsContact O-CG1 3.3Å; R1128-I1132 WeakPolarHBondContact O-CG1 3.42Å; R1128-I1132 PolarHBondContact O-N 3.27Å; I1132-T1135 WeakPolarHBondContact CA-OG1 3.33Å; I1132-T1135 PolarHBondContact O-OG1 3.33Å; I1132-S1136 WeakPolarHBondContact O-CB 3.48Å; I1132-S1136 PolarHBondContact O-N 3.14Å; I1132-S1136 PolarHBondContact O-OG 2.84Å
1133	R	48.2	Very low	55.7	Low	122 Å²	122	108.2 Å²	108.2	46%	0.46	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-41.8	174.4	-170.9	175.2	-170.4	115.3	26.7	112.5	S1129 R1131 S1136 E1137	S1129-R1133 WeakPolarHBondContact O-CB 3.23Å; S1129-R1133 PolarHBondContact O-N 3.2Å; R1131-R1133 PolarHBondContact O-N 2.9Å; R1133-S1136 PolarHBondContact O-N 3.2Å; R1133-S1136 PolarHBondContact O-OG 2.77Å; R1133-S1136 VanDerWaalsContact O-OG 3.09Å; R1133-E1137 HydrophobicContact CG-CG 4.27Å; R1133-E1137 WeakPolarHBondContact CG-OE1 3.39Å; R1133-E1137 IonicContact CZ-OE1 3.17Å; R1133-E1137 IonicContact NE-OE1 2.72Å; R1133-E1137 PolarHBondContact NE-OE1 3.24Å; R1133-E1137 IonicContact NE-OE2 2.8Å; R1133-E1137 IonicContact NH2-OE1 2.78Å; R1133-E1137 PolarHBondContact NH2-OE1 2.82Å; R1133-E1137 VanDerWaalsContact NH2-OE1 3.1Å; R1133-E1137 WeakPolarHBondContact O-CB 3.41Å; R1133-E1137 VanDerWaalsContact O-CG 3.27Å; R1133-E1137 WeakPolarHBondContact O-CG 3.34Å; R1133-E1137 PolarHBondContact O-N 3.04Å
1134	S	47.7	Very low	53.8	Low	63 Å²	63	107.7 Å²	107.7	44%	0.441	55%	0.546	S	S	.	.	H	α-helix	trans	-71.5	-28.9	178.5	69.7	0	0	0	0	113.3	T1130 R1131 A1138	T1130-S1134 WeakPolarHBondContact O-CB 3.5Å; T1130-S1134 PolarHBondContact O-N 2.84Å; T1130-S1134 PolarHBondContact O-OG 2.86Å; T1130-S1134 VanDerWaalsContact O-OG 3.14Å; R1131-S1134 WeakPolarHBondContact CA-OG 3.34Å; R1131-S1134 CarbonylContact O-C 3.57Å; R1131-S1134 WeakPolarHBondContact O-CA 3.25Å; R1131-S1134 PolarHBondContact O-N 2.88Å; R1131-S1134 PolarHBondContact O-OG 3.37Å; S1134-A1138 WeakPolarHBondContact O-CB 3.23Å; S1134-A1138 PolarHBondContact O-N 2.99Å
1135	T	50.7	Low	51.6	Low	89 Å²	89	109 Å²	109	55%	0.546	55%	0.547	S	S	.	.	H	α-helix	trans	-75.9	-37.6	172.7	52.2	0	0	0	0	111	R1131 I1132 S1139	R1131-T1135 PolarHBondContact O-N 3.37Å; R1131-T1135 PolarHBondContact O-OG1 3.25Å; I1132-T1135 WeakPolarHBondContact CA-OG1 3.33Å; I1132-T1135 PolarHBondContact O-OG1 3.33Å; T1135-S1139 WeakPolarHBondContact O-CB 3.43Å; T1135-S1139 PolarHBondContact O-N 3.18Å; T1135-S1139 PolarHBondContact O-OG 2.96Å; T1135-S1139 VanDerWaalsContact O-OG 3.09Å
1136	S	43.4	Very low	49.4	Very low	53 Å²	53	107.9 Å²	107.9	37%	0.371	56%	0.559	S	S	.	*	H	α-helix	trans	-72.8	-30.3	173.1	72	0	0	0	0	113.7	I1132 R1133 S1139 N1140	I1132-S1136 WeakPolarHBondContact O-CB 3.48Å; I1132-S1136 PolarHBondContact O-N 3.14Å; I1132-S1136 PolarHBondContact O-OG 2.84Å; R1133-S1136 PolarHBondContact O-N 3.2Å; R1133-S1136 PolarHBondContact O-OG 2.77Å; R1133-S1136 VanDerWaalsContact O-OG 3.09Å; S1136-S1139 PolarHBondContact O-OG 2.98Å; S1136-N1140 WeakPolarHBondContact O-CB 3.24Å; S1136-N1140 PolarHBondContact O-N 3.08Å; S1136-N1140 PolarHBondContact O-ND2 3.01Å
1137	E	43.2	Very low	47.4	Very low	90 Å²	90	109.9 Å²	109.9	42%	0.421	57%	0.573	S	S	.	*	H	α-helix	trans	-78.3	-34.5	172.6	-71.7	172	177	0	0	110.8	R1133 E1141	R1133-E1137 HydrophobicContact CG-CG 4.27Å; R1133-E1137 WeakPolarHBondContact CG-OE1 3.39Å; R1133-E1137 IonicContact CZ-OE1 3.17Å; R1133-E1137 IonicContact NE-OE1 2.72Å; R1133-E1137 PolarHBondContact NE-OE1 3.24Å; R1133-E1137 IonicContact NE-OE2 2.8Å; R1133-E1137 IonicContact NH2-OE1 2.78Å; R1133-E1137 PolarHBondContact NH2-OE1 2.82Å; R1133-E1137 VanDerWaalsContact NH2-OE1 3.1Å; R1133-E1137 WeakPolarHBondContact O-CB 3.41Å; R1133-E1137 VanDerWaalsContact O-CG 3.27Å; R1133-E1137 WeakPolarHBondContact O-CG 3.34Å; R1133-E1137 PolarHBondContact O-N 3.04Å; E1137-E1141 WeakPolarHBondContact O-CB 3.49Å; E1137-E1141 WeakPolarHBondContact O-CG 3.19Å; E1137-E1141 PolarHBondContact O-N 2.78Å
1138	A	42.9	Very low	45.1	Very low	48 Å²	48	113.9 Å²	113.9	40%	0.397	59%	0.591	S	S	.	*	H	α-helix	trans	-70.2	-40.9	173.1	0	0	0	0	0	113.5	S1134 N1140 E1141 Q1142	S1134-A1138 WeakPolarHBondContact O-CB 3.23Å; S1134-A1138 PolarHBondContact O-N 2.99Å; A1138-N1140 VanDerWaalsContact C-N 3.28Å; A1138-N1140 PolarHBondContact O-N 2.6Å; A1138-E1141 PolarHBondContact O-N 3.31Å; A1138-Q1142 PolarHBondContact O-N 2.7Å
1139	S	40.7	Very low	43.5	Very low	63 Å²	63	112.4 Å²	112.4	44%	0.441	60%	0.598	S	S	.	*	H	α-helix	trans	-67.7	-28.7	176.3	65.3	0	0	0	0	112.6	T1135 S1136	T1135-S1139 WeakPolarHBondContact O-CB 3.43Å; T1135-S1139 PolarHBondContact O-N 3.18Å; T1135-S1139 PolarHBondContact O-OG 2.96Å; T1135-S1139 VanDerWaalsContact O-OG 3.09Å; S1136-S1139 PolarHBondContact O-OG 2.98Å
1140	N	40	Very low	41.6	Very low	108 Å²	108	116.4 Å²	116.4	58%	0.578	61%	0.613	S	S	*	*	H	α-helix	trans	-77.7	-37.7	168.9	-82.1	-78.6	0	0	0	112.9	S1136 A1138 Q1142 N1143	S1136-N1140 WeakPolarHBondContact O-CB 3.24Å; S1136-N1140 PolarHBondContact O-N 3.08Å; S1136-N1140 PolarHBondContact O-ND2 3.01Å; A1138-N1140 VanDerWaalsContact C-N 3.28Å; A1138-N1140 PolarHBondContact O-N 2.6Å; N1140-Q1142 VanDerWaalsContact C-N 3.31Å; N1140-Q1142 PolarHBondContact O-N 3.38Å; N1140-N1143 PolarHBondContact O-N 3.34Å
1141	E	37	Very low	39.9	Very low	120 Å²	120	118.8 Å²	118.8	56%	0.561	63%	0.629	S	S	*	*	H	α-helix	trans	-71.4	-20.7	177.3	-79.1	-142.8	107.4	0	0	114.1	E1137 A1138 K1145	E1137-E1141 WeakPolarHBondContact O-CB 3.49Å; E1137-E1141 WeakPolarHBondContact O-CG 3.19Å; E1137-E1141 PolarHBondContact O-N 2.78Å; A1138-E1141 PolarHBondContact O-N 3.31Å; E1141-K1145 IonicContact OE1-NZ 2.83Å; E1141-K1145 PolarHBondContact OE1-NZ 2.96Å; E1141-K1145 IonicContact OE2-NZ 2.6Å
1142	Q	39.8	Very low	38.3	Very low	165 Å²	165	116.2 Å²	116.2	77%	0.771	64%	0.635	S	S	*	*	H	α-helix	trans	-82.2	-18.7	174.1	-75.8	-173.8	-42.3	0	0	114.1	A1138 N1140	A1138-Q1142 PolarHBondContact O-N 2.7Å; N1140-Q1142 VanDerWaalsContact C-N 3.31Å; N1140-Q1142 PolarHBondContact O-N 3.38Å
1143	N	35.8	Very low	37.1	Very low	144 Å²	144	117.7 Å²	117.7	77%	0.77	65%	0.65	S	S	*	*	S	Bend	trans	-95.6	7.7	175.7	-87.9	-43.8	0	0	0	114.4	N1140	N1140-N1143 PolarHBondContact O-N 3.34Å
1144	Q	34.5	Very low	36.4	Very low	167 Å²	167	116.9 Å²	116.9	78%	0.78	66%	0.662	S	S	*	*	S	Bend	trans	-137.2	41.9	177.9	-65.1	-166.8	1.9	0	0	114.2
1145	K	31.2	Very low	35.8	Very low	141 Å²	141	118.4 Å²	118.4	61%	0.613	67%	0.673	S	S	*	*	S	Bend	trans	-144.3	106.5	168.9	-91.5	141	-165.4	164.9	0	111.5	E1141	E1141-K1145 IonicContact OE1-NZ 2.83Å; E1141-K1145 PolarHBondContact OE1-NZ 2.96Å; E1141-K1145 IonicContact OE2-NZ 2.6Å
1146	G	29.3	Very low	35	Very low	75 Å²	75	120.6 Å²	120.6	77%	0.773	69%	0.686	S	S	*	*			trans	92.7	129.9	-172	0	0	0	0	0	110.4
1147	I	30.3	Very low	34.5	Very low	173 Å²	173	122 Å²	122	89%	0.887	70%	0.696	S	S	*	*			cis	-122.7	123.6	12.8	-64.2	163.6	0	0	0	110.4
1148	E	27.1	Very low	34.2	Very low	176 Å²	176	126.9 Å²	126.9	82%	0.822	72%	0.716	S	S	*	*			trans	-160.4	106.9	137.9	-130.9	-175.5	-138.2	0	0	111.2
1149	N	33	Very low	33.7	Very low	159 Å²	159	133.6 Å²	133.6	85%	0.85	74%	0.737	S	S	*	*			trans	-178.9	113.5	153.1	-102.3	-71.2	0	0	0	108.1
1150	L	30.4	Very low	33.4	Very low	154 Å²	154	136 Å²	136	81%	0.806	75%	0.748	S	S	*	*			trans	-73.2	163.7	175.3	-78.8	79.7	0	0	0	111.4
1151	P	31.8	Very low	33.2	Very low	125 Å²	125	140 Å²	140	81%	0.812	76%	0.76	S	S	*	*				-121.1	158.8	117.7	35.5	-33.5	0	0	0	114
1152	S	28.5	Very low	33.2	Very low	102 Å²	102	139 Å²	139	71%	0.713	77%	0.767	S	S	*	*			trans	-69.8	148.7	-176.6	53.2	0	0	0	0	115.6
1153	T	34.5	Very low	33.1	Very low	135 Å²	135	139.7 Å²	139.7	83%	0.828	77%	0.767	S	S	*	*				-161.8	164.6	121.6	16.9	0	0	0	0	113.4
1154	S	32.5	Very low	33.1	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	77%	0.767	S	S	*	*			trans	-20.2	153.3	162.6	41.4	0	0	0	0	119.3
1155	S	35.1	Very low	33.3	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	76%	0.762	S	S	*	*			cis	-173.4	165.1	2.7	42.2	0	0	0	0	112.9
1156	T	34.3	Very low	33.4	Very low	134 Å²	134	135.7 Å²	135.7	82%	0.822	76%	0.755	S	S	*	*			trans	62.9	142.2	159.2	46.7	0	0	0	0	119.1
1157	S	33.4	Very low	33.5	Very low	83 Å²	83	138.2 Å²	138.2	58%	0.58	76%	0.756	S	S	*	*			cis	-165.2	161.7	-14.3	65.5	0	0	0	0	111.3
1158	K	35.9	Very low	33.6	Very low	193 Å²	193	136.8 Å²	136.8	84%	0.839	75%	0.748	S	S	*	*			trans	68.9	147.5	165.2	-62.2	164.6	-172.2	169.9	0	115.5
1159	K	33	Very low	33.8	Very low	189 Å²	189	131.8 Å²	131.8	82%	0.822	74%	0.737	S	S	*	*			cis	-171.6	124.9	-22.9	-150.8	-177.3	-173.6	-178.9	0	104.6
1160	V	35	Very low	33.8	Very low	114 Å²	114	133 Å²	133	69%	0.691	74%	0.738	S	S	*	*				172.7	139.7	91.5	156.1	0	0	0	0	108.8
1161	K	35.4	Very low	33.8	Very low	190 Å²	190	129.6 Å²	129.6	83%	0.826	73%	0.727	S	S	*	*			trans	16.4	150.7	147.2	-56.5	175.3	-175.7	175.8	0	120.4
1162	S	35.8	Very low	33.8	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	72%	0.719	S	S	*	*			cis	175.3	165.7	-4.7	52.3	0	0	0	0	108.3
1163	K	38.5	Very low	34	Very low	178 Å²	178	132.4 Å²	132.4	77%	0.774	72%	0.719	S	S	*	*			cis	-158.6	143.2	3.1	-124.3	169.9	179.3	-177	0	105.8
1164	K	36.6	Very low	33.8	Very low	174 Å²	174	134.1 Å²	134.1	76%	0.757	72%	0.715	S	S	*	*				53.8	138.5	106.1	-68.3	-160.7	163.4	-164.5	0	115.9
1165	N	36.9	Very low	33.6	Very low	126 Å²	126	140.1 Å²	140.1	67%	0.674	72%	0.722	S	S	*	*			cis	-167.1	171.2	15.3	-115.2	12.3	0	0	0	108.4
1166	S	33.8	Very low	33.7	Very low	69 Å²	69	140.4 Å²	140.4	48%	0.483	72%	0.721	S	S	.	*			cis	157.8	154.4	-28.5	62.8	0	0	0	0	109.7
1167	V	32.7	Very low	33.4	Very low	128 Å²	128	140.4 Å²	140.4	78%	0.776	72%	0.715	S	S	*	*			trans	70.4	147.9	138.2	135.5	0	0	0	0	117.3
1168	I	31.4	Very low	33.4	Very low	142 Å²	142	148.2 Å²	148.2	73%	0.728	73%	0.731	S	S	*	*			cis	-144.9	140.7	-5.5	-104.1	163.3	0	0	0	104.8
1169	A	31.8	Very low	32.9	Very low	71 Å²	71	147.8 Å²	147.8	59%	0.587	73%	0.73	S	S	*	*			cis	91.4	134.9	32.5	0	0	0	0	0	115.6
1170	Q	32.1	Very low	32.8	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	73%	0.734	S	S	*	*			trans	68.8	165	166.9	-41.2	-174.9	13.3	0	0	115.6
1171	S	32.1	Very low	32.8	Very low	82 Å²	82	150.3 Å²	150.3	57%	0.573	74%	0.736	S	S	*	*			cis	-152.1	152.7	9.2	99.7	0	0	0	0	114.5
1172	N	31.6	Very low	32.5	Very low	122 Å²	122	152.7 Å²	152.7	65%	0.652	74%	0.74	S	S	*	*			trans	26.7	132.7	130.6	-62.6	-62.6	0	0	0	119.3
1173	K	31.7	Very low	32.3	Very low	163 Å²	163	159 Å²	159	71%	0.709	75%	0.748	S	S	*	*				-176.7	142.7	64.9	-108.2	120.1	-175	179	0	113.7
1174	K	30.5	Very low	31.7	Very low	172 Å²	172	162 Å²	162	75%	0.748	76%	0.755	S	S	*	*			trans	52	130.1	131.8	-63	-177.4	-179.7	177.3	0	123.1
1175	R	28.7	Very low	31.5	Very low	230 Å²	230	164.5 Å²	164.5	87%	0.868	76%	0.759	S	S	*	*				95.1	156.8	126.2	-85.7	-172.6	176.7	-159.7	-0.9	119.9
1176	P	35.9	Very low	31.3	Very low	101 Å²	101	164.1 Å²	164.1	66%	0.656	76%	0.764	S	S	*	*				-143.9	-156.5	-116.4	35.7	-9	0	0	0	116.3
1177	I	28.8	Very low	30.9	Very low	135 Å²	135	164.4 Å²	164.4	69%	0.692	77%	0.766	S	S	*	*			trans	83.3	108.6	158.9	-55.2	150.9	0	0	0	118.3
1178	R	32.5	Very low	30.7	Very low	246 Å²	246	165.1 Å²	165.1	93%	0.928	77%	0.765	S	S	*	*			trans	176.2	114	130.2	-95.8	162.6	-177	-168	0.6	106.6
1179	K	27.3	Very low	30.6	Very low	185 Å²	185	165.9 Å²	165.9	80%	0.804	77%	0.769	S	S	*	*				69.7	96.1	54.6	-76.6	-170.5	175.1	176	0	115.8
1180	R	29.8	Very low	30.6	Very low	243 Å²	243	166.5 Å²	166.5	92%	0.917	77%	0.769	S	S	*	*			trans	72.2	167.8	143.3	-78.4	-175.1	178.3	-173.1	1	116.5
1181	P	34.8	Very low	30.7	Very low	113 Å²	113	164.5 Å²	164.5	73%	0.734	77%	0.765	S	S	*	*			cis	-133	177.8	14.6	43.6	-27.7	0	0	0	118.4
1182	R	29.5	Very low	30.9	Very low	239 Å²	239	167.2 Å²	167.2	90%	0.902	77%	0.773	S	S	*	*			trans	-83.7	142.1	156.5	-65.5	167.6	165.4	168.9	-9.8	110.1
1183	R	31.4	Very low	31.1	Very low	235 Å²	235	165.8 Å²	165.8	89%	0.887	77%	0.772	S	S	*	*			trans	-140.9	136.6	145.5	-72.4	-173.3	169.9	174.5	-5.2	106.6
1184	R	26.8	Very low	31.2	Very low	240 Å²	240	165.1 Å²	165.1	91%	0.906	78%	0.776	S	S	*	*			cis	77.9	115.1	39.1	-77.2	-169.1	164.4	-172.3	-4.5	114.2
1185	R	32.1	Very low	31.1	Very low	227 Å²	227	160.8 Å²	160.8	86%	0.857	77%	0.767	S	S	*	*			trans	25.4	141.1	142.4	-86.8	-172	-178	179.9	-1.1	118.9
1186	P	31.7	Very low	31.1	Very low	117 Å²	117	155 Å²	155	76%	0.76	76%	0.762	S	S	*	*				-122.4	173.1	55.1	30.1	-13.3	0	0	0	113.6
1187	S	26.5	Very low	30.8	Very low	75 Å²	75	153.9 Å²	153.9	52%	0.524	76%	0.757	S	S	.	*			cis	75	85.9	14	77.6	0	0	0	0	118.4
1188	N	27.2	Very low	30.9	Very low	143 Å²	143	155.9 Å²	155.9	77%	0.765	76%	0.764	S	S	*	*			trans	162	154.1	130	-83	3.5	0	0	0	111.6
1189	I	30.2	Very low	30.7	Very low	158 Å²	158	148 Å²	148	81%	0.81	75%	0.746	S	S	*	*			trans	67.5	130.6	155	-69.8	158.3	0	0	0	114.7
1190	S	32.5	Very low	30.8	Very low	84 Å²	84	146.6 Å²	146.6	59%	0.587	75%	0.746	S	S	*	*			cis	-156.6	163.5	2.9	29.7	0	0	0	0	110.6
1191	D	33.2	Very low	30.6	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	74%	0.74	S	S	*	*			trans	30.4	134.8	132.8	-33.7	-27.3	0	0	0	117.8
1192	D	37	Very low	30.3	Very low	139 Å²	139	145 Å²	145	74%	0.743	74%	0.741	S	S	*	*			cis	-142.6	150	24	-98.6	-60.8	0	0	0	109.9
1193	S	35.7	Very low	30.4	Very low	92 Å²	92	138.1 Å²	138.1	64%	0.643	73%	0.73	S	S	*	*				64.5	135.6	71.1	103.5	0	0	0	0	114
1194	D	32.4	Very low	30.3	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	72%	0.72	S	S	*	*			cis	-154.8	-179.4	-9.7	-142	-34.8	0	0	0	112.4
1195	S	30.2	Very low	30.5	Very low	81 Å²	81	130.4 Å²	130.4	57%	0.566	72%	0.716	S	S	*	*			trans	13.6	124.8	150.8	96.5	0	0	0	0	118
1196	S	28.5	Very low	30.4	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	71%	0.708	S	S	*	*				75.5	153.8	95.2	96.6	0	0	0	0	114.2
1197	S	29.4	Very low	30.4	Very low	79 Å²	79	124.2 Å²	124.2	55%	0.552	71%	0.709	S	S	*	*			cis	-162	173.7	10.8	61.9	0	0	0	0	109.2
1198	Q	29.9	Very low	30.6	Very low	177 Å²	177	126.7 Å²	126.7	83%	0.827	72%	0.72	S	S	*	*			trans	65.2	163.8	158.2	-66.9	169	35	0	0	116
1199	S	27.8	Very low	30.8	Very low	80 Å²	80	123.1 Å²	123.1	56%	0.559	71%	0.707	S	S	*	*			cis	-170	151.8	-33.7	59.3	0	0	0	0	108.2
1200	L	29.3	Very low	31	Very low	155 Å²	155	122.4 Å²	122.4	81%	0.812	71%	0.71	S	S	*	*			trans	62.8	149	162.5	-59.6	167.1	0	0	0	114.6
1201	Y	27.2	Very low	31.1	Very low	202 Å²	202	121.5 Å²	121.5	79%	0.792	70%	0.703	S	S	*	*			cis	175.1	-177.1	-14.4	-149.7	-99.6	0	0	0	103.8
1202	T	28.7	Very low	31.1	Very low	121 Å²	121	121.1 Å²	121.1	74%	0.742	70%	0.697	S	S	*	*			trans	70.3	129.6	166.6	62.9	0	0	0	0	120.5
1203	S	30.2	Very low	31.3	Very low	95 Å²	95	119.3 Å²	119.3	66%	0.664	69%	0.693	S	S	*	*			trans	45.8	131.4	141.4	-62.7	0	0	0	0	121.4
1204	E	30.2	Very low	31.2	Very low	146 Å²	146	120.1 Å²	120.1	68%	0.682	70%	0.698	S	S	*	*			cis	113.4	149.5	27.3	-89.8	175.4	126.9	0	0	110.4
1205	M	30.6	Very low	31.3	Very low	167 Å²	167	119.2 Å²	119.2	82%	0.823	69%	0.694	S	S	*	*			trans	68.9	150.1	163.1	-67.2	163.3	-163.1	0	0	116.4
1206	S	30.3	Very low	31.4	Very low	100 Å²	100	121.9 Å²	121.9	70%	0.699	70%	0.701	S	S	*	*			cis	-169.1	170.7	-10.3	46.4	0	0	0	0	111.5
1207	C	31.6	Very low	31.5	Very low	113 Å²	113	121.3 Å²	121.3	76%	0.764	70%	0.697	S	S	*	*			trans	72.1	136.7	165.3	-55.5	0	0	0	0	117
1208	V	31.1	Very low	31.6	Very low	127 Å²	127	122.1 Å²	122.1	77%	0.77	70%	0.703	S	S	*	*			cis	103.9	116.8	9.9	-177.8	0	0	0	0	116.3
1209	S	31.3	Very low	31.6	Very low	69 Å²	69	122.5 Å²	122.5	48%	0.483	70%	0.702	S	S	.	*			trans	66.6	123.4	158.3	-70.3	0	0	0	0	122.3	Q99	Q99-S1209 PolarHBondContact NE2-OG 3.26Å
1210	T	33.9	Very low	31.8	Very low	143 Å²	143	124.6 Å²	124.6	88%	0.877	71%	0.712	S	S	*	*				-146.2	146.6	125.4	43.6	0	0	0	0	112
1211	S	33.9	Very low	31.8	Very low	64 Å²	64	122 Å²	122	45%	0.448	71%	0.706	S	S	.	*			trans	-88.4	-179.4	174.4	34.2	0	0	0	0	111.7
1212	E	33.9	Very low	32	Very low	138 Å²	138	117.9 Å²	117.9	65%	0.645	71%	0.707	S	S	*	*			cis	-160.2	179.9	-7	-117.2	175.8	133.3	0	0	109.4	I97	I97-E1212 HydrophobicContact CG2-CG 4.5Å
1213	P	41.3	Very low	32.1	Very low	101 Å²	101	115.7 Å²	115.7	66%	0.656	70%	0.697	S	S	*	*			trans	-106.6	-174.2	-170.3	42.6	-38.2	0	0	0	115.6
1214	S	33.3	Very low	32.2	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	70%	0.695	S	S	*	*			trans	-177.1	154.9	130.4	39	0	0	0	0	116
1215	N	34.4	Very low	32.1	Very low	130 Å²	130	112 Å²	112	70%	0.695	67%	0.672	S	S	*	*			trans	76.3	129.8	147.6	-78.9	40.2	0	0	0	125.7
1216	D	33.1	Very low	32.1	Very low	136 Å²	136	108 Å²	108	73%	0.727	66%	0.657	S	S	*	*			trans	65.3	146	135.7	-55.7	-25.9	0	0	0	123
1217	S	31.1	Very low	32.2	Very low	96 Å²	96	109.4 Å²	109.4	67%	0.671	66%	0.657	S	S	*	*			cis	-169.6	163.6	-23.1	60.8	0	0	0	0	112.5
1218	S	30.2	Very low	32.2	Very low	97 Å²	97	112.5 Å²	112.5	68%	0.678	66%	0.66	S	S	*	*			trans	79	159.6	149.3	79.6	0	0	0	0	122.7
1219	F	31.3	Very low	32.4	Very low	184 Å²	184	114.6 Å²	114.6	81%	0.807	67%	0.667	S	S	*	*			trans	62.6	121.2	176	-71.1	-88.4	0	0	0	119.3
1220	V	31.1	Very low	32.4	Very low	125 Å²	125	118.4 Å²	118.4	76%	0.758	68%	0.682	S	S	*	*			cis	108.1	142.5	14	177.9	0	0	0	0	114.3
1221	S	30.2	Very low	32.4	Very low	99 Å²	99	119.4 Å²	119.4	69%	0.692	68%	0.682	S	S	*	*			trans	99.1	108.3	178.3	-43.1	0	0	0	0	113.9
1222	S	30	Very low	32.2	Very low	116 Å²	116	123.7 Å²	123.7	81%	0.811	70%	0.699	S	S	*	*				80.1	143.7	63.3	71.2	0	0	0	0	113.8
1223	S	31.6	Very low	32.2	Very low	75 Å²	75	123 Å²	123	52%	0.524	71%	0.71	S	S	.	*			cis	-154	168.5	-0.1	43.1	0	0	0	0	108.5
1224	Q	31.6	Very low	31.7	Very low	135 Å²	135	123.4 Å²	123.4	63%	0.631	71%	0.705	S	S	*	*			cis	100.2	88.2	7.2	-175	-122.9	-97.5	0	0	117	V65	V65-Q1224 VanDerWaalsContact CG2-O 3.31Å; V65-Q1224 WeakPolarHBondContact CG2-O 3.42Å
1225	C	28.2	Very low	31.5	Very low	29 Å²	29	124.9 Å²	124.9	20%	0.196	70%	0.704	C	S	.	*			trans	163.4	137.5	149.3	-97	0	0	0	0	115.6	T64 V65	T64-C1225 WeakPolarHBondContact CA-O 3.35Å; T64-C1225 WeakPolarHBondContact CB-O 3.46Å; T64-C1225 WeakPolarHBondContact CG2-O 3.45Å; V65-C1225 WeakPolarHBondContact CA-O 3.36Å; V65-C1225 HydrophobicContact CG2-CB 4.12Å
1226	T	31.5	Very low	31.3	Very low	84 Å²	84	121.2 Å²	121.2	52%	0.515	69%	0.689	S	S	.	*			trans	52.7	169.4	132.4	72.9	0	0	0	0	122
1227	D	31.7	Very low	31.1	Very low	129 Å²	129	123.1 Å²	123.1	69%	0.69	69%	0.691	S	S	*	*			cis	-130.4	140.1	1.5	-71	-83.1	0	0	0	108.7
1228	E	31.3	Very low	30.9	Very low	177 Å²	177	123 Å²	123	83%	0.827	69%	0.69	S	S	*	*				61.5	117.6	84.4	-58.8	-158.8	168.8	0	0	116.9
1229	D	36.6	Very low	30.8	Very low	172 Å²	172	122.4 Å²	122.4	92%	0.92	69%	0.686	S	S	*	*			trans	-168.3	147.2	137.8	-108.2	-24.5	0	0	0	109.1
1230	D	30.8	Very low	30.6	Very low	148 Å²	148	120.8 Å²	120.8	79%	0.791	69%	0.686	S	S	*	*			trans	-83	156.4	-172.3	-76.4	-65.2	0	0	0	114.4
1231	D	34.5	Very low	30.6	Very low	164 Å²	164	120 Å²	120	88%	0.877	68%	0.677	S	S	*	*				-155.1	145.7	121.4	-138.6	-23.3	0	0	0	112.7
1232	L	29.3	Very low	30.5	Very low	155 Å²	155	126 Å²	126	81%	0.812	69%	0.685	S	S	*	*			trans	-104.5	128.2	-172.7	-75.1	168	0	0	0	112.1
1233	S	32.6	Very low	30.5	Very low	124 Å²	124	132.5 Å²	132.5	87%	0.867	69%	0.691	S	S	*	*			trans	-141	137.5	148.8	49.1	0	0	0	0	110.9
1234	I	30.5	Very low	30.4	Very low	108 Å²	108	134 Å²	134	55%	0.554	70%	0.702	S	S	*	*			trans	-103.3	144	176.3	-170.1	173.1	0	0	0	107.9	K1030	K1030-I1234 HydrophobicContact CB-CD1 3.94Å; K1030-I1234 HydrophobicContact CD-CD1 3.81Å; K1030-I1234 HydrophobicContact CG-CD1 4.02Å
1235	D	30.7	Very low	30.4	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	71%	0.711	S	S	*	*			trans	-149.4	165.5	143.5	-135.9	-35.4	0	0	0	111.5
1236	S	29	Very low	30.7	Very low	52 Å²	52	137.6 Å²	137.6	36%	0.364	74%	0.739	S	S	.	*			trans	-120.3	-143.5	-173.7	66.5	0	0	0	0	111.6	R1031	R1031-S1236 PolarHBondContact NH2-OG 3.27Å
1237	F	29.3	Very low	30.5	Very low	177 Å²	177	139.5 Å²	139.5	78%	0.776	74%	0.742	S	S	*	*			trans	66.8	155.3	-173.8	-48.8	-78.6	0	0	0	114.5
1238	S	27.4	Very low	30.4	Very low	93 Å²	93	140.5 Å²	140.5	65%	0.65	75%	0.753	S	S	*	*			cis	158.3	168.3	-20.9	-179.4	0	0	0	0	105
1239	S	27.6	Very low	30.3	Very low	84 Å²	84	135.7 Å²	135.7	59%	0.587	74%	0.739	S	S	*	*			trans	73	107.8	150.6	-53.3	0	0	0	0	119.6
1240	D	28	Very low	29.9	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	73%	0.733	S	S	*	*				85	155.2	114.9	-54.1	-17.3	0	0	0	123.7
1241	D	29.9	Very low	29.9	Very low	108 Å²	108	134.3 Å²	134.3	58%	0.578	73%	0.73	S	S	*	*			trans	-49	124.8	174.6	-79	-71.1	0	0	0	115.4	R434	R434-D1241 IonicContact CZ-OD1 3.9Å; R434-D1241 IonicContact NE-OD1 3.93Å; R434-D1241 VanDerWaalsContact NH2-CG 3.27Å; R434-D1241 IonicContact NH2-OD1 3.37Å; R434-D1241 PolarHBondContact NH2-OD1 3.47Å; R434-D1241 IonicContact NH2-OD2 2.93Å
1242	R	27.7	Very low	29.7	Very low	225 Å²	225	136.1 Å²	136.1	85%	0.849	73%	0.725	S	S	*	*			trans	-161.3	132.9	132.5	-90.4	121.4	-159.6	-103.8	2.2	110.1
1243	W	30.4	Very low	29.9	Very low	252 Å²	252	136.5 Å²	136.5	96%	0.955	72%	0.72	S	S	*	*			trans	-157.1	74.2	146.2	-108.6	28.3	0	0	0	109.2
1244	S	30.8	Very low	29.8	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-75.8	132.8	167.7	-57.8	0	0	0	0	109.4	S1246	S1244-S1246 PolarHBondContact O-N 3.25Å
1245	P	31.2	Very low	30	Very low	128 Å²	128	143.4 Å²	143.4	83%	0.831	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-68.2	116.3	-179.5	26.9	-33.6	0	0	0	110.6	Q1247	P1245-Q1247 PolarHBondContact O-N 3.2Å
1246	S	33.1	Very low	30	Very low	112 Å²	112	142.1 Å²	142.1	78%	0.783	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-70.8	127.8	179.8	47.1	0	0	0	0	111.4	S1244 V1248	S1244-S1246 PolarHBondContact O-N 3.25Å; S1246-V1248 PolarHBondContact O-N 2.57Å
1247	Q	27.6	Very low	30	Very low	125 Å²	125	148.9 Å²	148.9	58%	0.584	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-69.4	130.1	170.9	-71	-164.1	18.4	0	0	110.3	P1245	P1245-Q1247 PolarHBondContact O-N 3.2Å
1248	V	31.2	Very low	30.2	Very low	149 Å²	149	152 Å²	152	90%	0.903	76%	0.761	S	S	*	*			trans	-104.3	94	157.6	179.9	0	0	0	0	107.5	S1246	S1246-V1248 PolarHBondContact O-N 2.57Å
1249	S	27.4	Very low	30.3	Very low	77 Å²	77	157.2 Å²	157.2	54%	0.538	77%	0.771	S	S	.	*			trans	-103.1	141.4	-172.7	59.2	0	0	0	0	113.2
1250	L	29.9	Very low	30.7	Very low	151 Å²	151	158.8 Å²	158.8	79%	0.791	78%	0.78	S	S	*	*			trans	57.2	109.1	154.7	-62.1	167.4	0	0	0	119.4
1251	N	30.5	Very low	30.9	Very low	139 Å²	139	161 Å²	161	74%	0.743	78%	0.782	S	S	*	*				157.1	146.5	113.8	-83.1	-64.9	0	0	0	110.7
1252	R	30	Very low	31.1	Very low	202 Å²	202	163 Å²	163	76%	0.762	80%	0.798	S	S	*	*			cis	-160.3	159.9	11.9	-136	172.6	171.4	175.9	-0.2	112.2
1253	K	33.3	Very low	31.3	Very low	164 Å²	164	163.6 Å²	163.6	71%	0.713	80%	0.8	S	S	*	*			trans	72.4	90.8	154.7	-66.7	173.3	-178.1	175.6	0	120.5
1254	Q	30.3	Very low	31.3	Very low	184 Å²	184	167 Å²	167	86%	0.86	81%	0.813	S	S	*	*				17.1	126.8	120.9	-61	173.4	-14.6	0	0	119.4
1255	K	33.9	Very low	31.3	Very low	192 Å²	192	170.1 Å²	170.1	84%	0.835	82%	0.816	S	S	*	*				-167	105.5	118.9	-110.3	172.7	-177.5	-179.7	0	116.3
1256	T	30.6	Very low	31.4	Very low	114 Å²	114	172.3 Å²	172.3	70%	0.699	82%	0.816	S	S	*	*			trans	52.4	125.7	135.3	57.2	0	0	0	0	123.4
1257	K	30.5	Very low	31.3	Very low	193 Å²	193	175.7 Å²	175.7	84%	0.839	82%	0.817	S	S	*	*			trans	64.2	107.3	138.7	-65.7	-179.1	177.5	-175.9	0	117.2
1258	R	33	Very low	31.5	Very low	244 Å²	244	178.6 Å²	178.6	92%	0.921	83%	0.831	S	S	*	*				-169.4	152.1	61.9	-95.4	171	166.6	167.7	-6.1	110.9
1259	K	29.9	Very low	31.5	Very low	201 Å²	201	180.5 Å²	180.5	87%	0.874	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-96.6	140.3	161.2	-73.2	-174.3	175.8	-174.9	0	110
1260	P	36.3	Very low	31.8	Very low	118 Å²	118	187.4 Å²	187.4	77%	0.766	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-81.2	144.9	141.2	33	-28.1	0	0	0	109.7
1261	K	30.5	Very low	31.9	Very low	196 Å²	196	190 Å²	190	85%	0.852	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-89.3	136.4	159.5	-69.6	175.2	179.6	172.7	0	107.3
1262	V	35.7	Very low	32	Very low	150 Å²	150	193.9 Å²	193.9	91%	0.909	86%	0.858	S	S	*	*			trans	-125	135.9	149	-179	0	0	0	0	105.8
1263	R	30.6	Very low	32.2	Very low	238 Å²	238	193.3 Å²	193.3	90%	0.898	87%	0.866	S	S	*	*			trans	-137	106.8	-168.9	-172.6	-170.5	-168.6	-168.5	3.9	109.4
1264	R	31.6	Very low	32.1	Very low	325 Å²	325	195.9 Å²	195.9	100%	1.226	88%	0.88	S	S	*	*			trans	-150.1	0	152.6	-107.4	-177.7	179	-179.9	0	107.4

Retrieved 1,264 of 1,264 residues in 489.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).