A0A087WRS4_MOUSE Loading...

Calcium-activated potassium channel subunit alpha-1

Potassium channel activated by both membrane depolarization or increase in cytosolic Ca(2+) that mediates export of K(+).

AlphaFold DB , UniProt , Accession A0A087WRS4, Species MOUSE (Mus musculus, Mouse), Gene Kcnma1, Length 1,236 aa.

						>A0A087WRS4_MOUSE|A0A087WRS4|Kcnma1
MANGGGGGGGSSGGGGGGGGGSGLRMSSNIHANHLSLDASSSSSSSSSSSSSSSSSSSSSVHEPKMDALIIPVTMEVPCDSRGQRMWWAFLASSMVTFFGGLFIILLWRTLKYLWTVCCHCGGKTKEAQKINNGSSQADGTLKPVDEKEEVVAAEVGWMTSVKDWAGVMISAQTLTGRVLVVLVFALSIGALVIYFIDSSNPIESCQNFYKDFTLQIDMAFNVFFLLYFGLRFIAANDKLWFWLEVNSVVDFFTVPPVFVSVYLNRSWLGLRFLRALRLIQFSEILQFLNILKTSNSIKLVNLLSIFISTWLTAAGFIHLVENSGDPWENFQNNQALTYWECVYLLMVTMSTVGYGDVYAKTTLGRLFMVFFILGGLAMFASYVPEIIELIGNRKKYGGSYSAVSGRKHIVVCGHITLESVSNFLKDFLHKDRDDVNVEIVFLHNISPNLELEALFKRHFTQVEFYQGSVLNPHDLARVKIESADACLILANKYCADPDAEDASNIMRVISIKNYHPKIRIITQMLQYHNKAHLLNIPSWNWKEGDDAICLAELKLGFIAQSCLAQGLSTMLANLFSMRSFIKIEEDTWQKYYLEGVSNEMYTEYLSSAFVGLSFPTVCELCFVKLKLLMIAIEYKSANRESRILINPGNHLKIQEGTLGFFIASDAKEVKRAFFYCKACHDDVTDPKRIKKCGCRRPKMSIYKRMRRACCFDCGRSERDCSCMSGRVRGNVDTLERTFPLSSVSVNDCSTSFRAFEDEQPPTLSPKKKQRNGGMRNSPNTSPKLMRHDPLLIPGNDQIDNMDSNVKKYDSTGMFHWCAPKEIEKVILTRSEAAMTVLSGHVVVCIFGDVSSALIGLRNLVMPLRASNFHYHELKHIVFVGSIEYLKREWETLHNFPKVSILPGTPLSRADLRAVNINLCDMCVILSANQNNIDDTSLQDKECILASLNIKSMQFDDSIGVLQANSQGFTPPGMDRSSPDNSPVHGMLRQPSITTGVNIPIITELVNDTNVQFLDQDDDDDPDTELYLTQPFACGTAFAVSVLDSLMSATYFNDNILTLIRTLVTGGATPELEALIAEENALRGGYSTPQTLANRDRCRVAQLALLDGPFADLGDGGCYGDLFCKALKTYNMLCFGIYRLRDAHLSTPSQCTKRYVITNPPYEFELVPTDLIFCLMQFDHNAGQSRASLSHSSHSSQSSSKKSSSVHSIPSTANRPNRPKSRESRDKQNRKEMVYR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	31.5	Very low	237 Å²	237	108.4 Å²	108.4	100%	1.167	88%	0.875	S	S	*	*				0	108.2	0	-60.7	163.6	-177.6	0	0	104.7
2	A	31.1	Very low	31.5	Very low	89 Å²	89	109.7 Å²	109.7	74%	0.736	87%	0.874	S	S	*	*				63.5	122.5	54.8	0	0	0	0	0	110.6
3	N	34.5	Very low	31.4	Very low	166 Å²	166	107.9 Å²	107.9	89%	0.888	88%	0.876	S	S	*	*			cis	-142.7	178.9	1.3	-84.1	-19.8	0	0	0	108
4	G	33.8	Very low	31.3	Very low	79 Å²	79	106.4 Å²	106.4	81%	0.814	88%	0.878	S	S	*	*			cis	127.5	123.5	1.3	0	0	0	0	0	112.5
5	G	30.2	Very low	31.3	Very low	86 Å²	86	104.9 Å²	104.9	89%	0.887	88%	0.877	S	S	*	*			trans	115.4	143.8	174.8	0	0	0	0	0	114.9
6	G	33	Very low	31.2	Very low	88 Å²	88	103.9 Å²	103.9	91%	0.907	88%	0.879	S	S	*	*			cis	129.7	112.7	-19.9	0	0	0	0	0	116.9
7	G	32.7	Very low	31.1	Very low	83 Å²	83	102.9 Å²	102.9	86%	0.856	88%	0.88	S	S	*	*			trans	125.4	129.7	150.1	0	0	0	0	0	119
8	G	28.3	Very low	31.1	Very low	87 Å²	87	101.9 Å²	101.9	90%	0.897	88%	0.88	S	S	*	*			trans	93.6	137.7	162.5	0	0	0	0	0	116.8
9	G	31.5	Very low	31	Very low	86 Å²	86	101.1 Å²	101.1	89%	0.887	88%	0.881	S	S	*	*			cis	136.6	112.3	-16.8	0	0	0	0	0	115.5
10	G	30.8	Very low	30.8	Very low	76 Å²	76	100.5 Å²	100.5	78%	0.784	88%	0.882	S	S	*	*			trans	158.4	134.6	164.5	0	0	0	0	0	119.1
11	S	28.7	Very low	30.7	Very low	115 Å²	115	99.7 Å²	99.7	80%	0.804	88%	0.882	S	S	*	*			trans	67.8	84.3	144.1	-54.4	0	0	0	0	124
12	S	31.9	Very low	30.7	Very low	124 Å²	124	94.3 Å²	94.3	87%	0.867	87%	0.867	S	S	*	*				30.1	130.6	117.8	62.7	0	0	0	0	124.2
13	G	30.1	Very low	30.6	Very low	87 Å²	87	93.6 Å²	93.6	90%	0.897	87%	0.868	S	S	*	*			trans	131.3	141	149.8	0	0	0	0	0	115.1
14	G	30.3	Very low	30.1	Very low	87 Å²	87	92.8 Å²	92.8	90%	0.897	86%	0.863	S	S	*	*			cis	160	116.9	-15.4	0	0	0	0	0	115.5
15	G	30.8	Very low	29.7	Very low	84 Å²	84	99 Å²	99	87%	0.866	86%	0.862	S	S	*	*			trans	114.2	126.5	153.2	0	0	0	0	0	120.1
16	G	29.2	Very low	29.4	Very low	89 Å²	89	102 Å²	102	92%	0.918	85%	0.854	S	S	*	*			trans	80	144.6	165.3	0	0	0	0	0	116.4
17	G	30.8	Very low	29	Very low	87 Å²	87	102.6 Å²	102.6	90%	0.897	85%	0.845	S	S	*	*			cis	145.2	140.7	-3.1	0	0	0	0	0	110.5
18	G	29.5	Very low	28.9	Very low	85 Å²	85	103.6 Å²	103.6	88%	0.876	84%	0.839	S	S	*	*			cis	178.5	-173.6	-3.2	0	0	0	0	0	111.1
19	G	29	Very low	28.7	Very low	86 Å²	86	106.8 Å²	106.8	89%	0.887	84%	0.835	S	S	*	*			trans	113.3	147	176.3	0	0	0	0	0	114
20	G	28.4	Very low	28.5	Very low	88 Å²	88	109.3 Å²	109.3	91%	0.907	83%	0.827	S	S	*	*			cis	166.4	101.7	-6.3	0	0	0	0	0	111.3
21	G	28.6	Very low	28.3	Very low	85 Å²	85	114.6 Å²	114.6	88%	0.876	83%	0.831	S	S	*	*			trans	-142	114.2	-171.5	0	0	0	0	0	114.9
22	S	30.9	Very low	28.2	Very low	124 Å²	124	113.9 Å²	113.9	87%	0.867	83%	0.832	S	S	*	*			trans	-147.6	141.7	169.5	55.1	0	0	0	0	108.2
23	G	28.6	Very low	27.9	Very low	73 Å²	73	115.3 Å²	115.3	75%	0.753	83%	0.83	S	S	*	*			cis	121.1	111.8	5.8	0	0	0	0	0	111.8
24	L	25.4	Very low	27.7	Very low	149 Å²	149	118.8 Å²	118.8	78%	0.78	82%	0.823	S	S	*	*			trans	-159.6	129.1	174	-89.3	166.3	0	0	0	107.3
25	R	24.7	Very low	27.5	Very low	209 Å²	209	121.4 Å²	121.4	79%	0.789	82%	0.815	S	S	*	*				59.4	141.6	91.5	-69.3	-169.2	-176.1	172.3	0.4	114.7
26	M	24.3	Very low	27.1	Very low	149 Å²	149	122 Å²	122	73%	0.734	81%	0.807	S	S	*	*			cis	-155.1	145.2	8.3	-111.8	154.8	158.9	0	0	108
27	S	24.7	Very low	27	Very low	101 Å²	101	125.1 Å²	125.1	71%	0.706	80%	0.801	S	S	*	*				75.8	92.7	77.3	-49.6	0	0	0	0	117.9
28	S	29.6	Very low	26.8	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	80%	0.795	S	S	*	*			trans	43	127.3	133.7	60.9	0	0	0	0	124
29	N	24.9	Very low	26.7	Very low	153 Å²	153	127.9 Å²	127.9	82%	0.818	79%	0.788	S	S	*	*			trans	-175	170.7	142.9	-91.7	-27.4	0	0	0	108.5
30	I	27.4	Very low	26.7	Very low	139 Å²	139	129.4 Å²	129.4	71%	0.713	79%	0.785	S	S	*	*				179.6	131.9	-54.6	-98.5	173.4	0	0	0	106
31	H	27.1	Very low	26.7	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.866	78%	0.777	S	S	*	*			trans	33.2	129.6	166.1	-76.1	-66.2	0	0	0	124.8
32	A	26.1	Very low	26.6	Very low	101 Å²	101	131.4 Å²	131.4	84%	0.835	77%	0.772	S	S	*	*			trans	-159.2	175.9	138.3	0	0	0	0	0	111.1
33	N	26	Very low	26.4	Very low	154 Å²	154	130.6 Å²	130.6	82%	0.824	77%	0.766	S	S	*	*			trans	-140.4	172.9	-158.2	-119.4	-2.2	0	0	0	115.8
34	H	25.6	Very low	26.4	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.736	77%	0.767	S	S	*	*			trans	77.3	126.7	171.3	-83.5	-131.2	0	0	0	117.8
35	L	25.1	Very low	26.4	Very low	142 Å²	142	130.5 Å²	130.5	74%	0.743	77%	0.766	S	S	*	*				75.8	126.1	67.2	-78.5	163.2	0	0	0	113.2
36	S	24.1	Very low	26.4	Very low	98 Å²	98	125.5 Å²	125.5	69%	0.685	76%	0.763	S	S	*	*			cis	-148.2	-149.3	5.9	-54.5	0	0	0	0	111
37	L	26.3	Very low	26.5	Very low	153 Å²	153	123.7 Å²	123.7	80%	0.801	77%	0.765	S	S	*	*			cis	-161.5	-177.5	7	-130	175.5	0	0	0	111.5
38	D	26.4	Very low	26.6	Very low	144 Å²	144	124 Å²	124	77%	0.77	77%	0.767	S	S	*	*			trans	-48.1	150.4	-173.2	-61.3	-18.3	0	0	0	123.7
39	A	27.7	Very low	26.5	Very low	87 Å²	87	123.7 Å²	123.7	72%	0.719	77%	0.765	S	S	*	*				151	118.5	100.3	0	0	0	0	0	118.1
40	S	28.5	Very low	26.6	Very low	118 Å²	118	121.5 Å²	121.5	83%	0.825	76%	0.762	S	S	*	*			trans	51.6	147.5	148.8	49.4	0	0	0	0	122.9
41	S	28.4	Very low	26.6	Very low	106 Å²	106	119.8 Å²	119.8	74%	0.741	76%	0.762	S	S	*	*			cis	-170.8	165.7	-2	50.1	0	0	0	0	114
42	S	27.5	Very low	26.8	Very low	109 Å²	109	116.3 Å²	116.3	76%	0.762	76%	0.759	S	S	*	*			trans	99.3	118	150.7	74.5	0	0	0	0	123.7
43	S	26.5	Very low	27	Very low	107 Å²	107	116 Å²	116	75%	0.748	75%	0.751	S	S	*	*			trans	51.6	117.6	144.9	58.2	0	0	0	0	124.4
44	S	27.9	Very low	27.1	Very low	111 Å²	111	114 Å²	114	78%	0.776	75%	0.748	S	S	*	*				169.1	149.3	91.8	49.2	0	0	0	0	116.6
45	S	26.1	Very low	27.4	Very low	108 Å²	108	111.2 Å²	111.2	76%	0.755	75%	0.747	S	S	*	*			trans	63.7	126.9	158.1	41.4	0	0	0	0	124.9
46	S	24.7	Very low	27.4	Very low	105 Å²	105	109 Å²	109	73%	0.734	74%	0.743	S	S	*	*			trans	71.8	100.5	142.7	52.9	0	0	0	0	124.6
47	S	26.7	Very low	27.3	Very low	110 Å²	110	109.1 Å²	109.1	77%	0.769	74%	0.744	S	S	*	*				82.8	137.7	120.8	69.7	0	0	0	0	124.6
48	S	26.9	Very low	27.2	Very low	108 Å²	108	106.7 Å²	106.7	76%	0.755	74%	0.74	S	S	*	*			trans	110.1	126.9	142.7	76	0	0	0	0	121.4
49	S	26	Very low	27.2	Very low	99 Å²	99	105.3 Å²	105.3	69%	0.692	74%	0.742	S	S	*	*			trans	40.3	97	146.4	52.4	0	0	0	0	122.9
50	S	27.8	Very low	27.2	Very low	107 Å²	107	106.1 Å²	106.1	75%	0.748	74%	0.742	S	S	*	*				41.5	140.9	110.3	65.8	0	0	0	0	123.8
51	S	27.3	Very low	27.1	Very low	103 Å²	103	106.6 Å²	106.6	72%	0.72	74%	0.74	S	S	*	*			trans	106.3	146.1	136.1	80.9	0	0	0	0	120
52	S	30.5	Very low	26.8	Very low	114 Å²	114	108.8 Å²	108.8	80%	0.797	74%	0.738	S	S	*	*			trans	61.3	155.4	175.7	69.3	0	0	0	0	116.1
53	S	31.1	Very low	26.6	Very low	95 Å²	95	111.2 Å²	111.2	66%	0.664	74%	0.737	S	S	*	*			cis	-154.5	139.2	-6.5	18.8	0	0	0	0	106.5
54	S	28.8	Very low	27.2	Very low	110 Å²	110	110.5 Å²	110.5	77%	0.769	73%	0.73	S	S	*	*				55.2	134.9	66.9	77.2	0	0	0	0	113.7
55	S	30.3	Very low	27	Very low	101 Å²	101	114.1 Å²	114.1	71%	0.706	73%	0.732	S	S	*	*			cis	-165.4	157.2	0	35.6	0	0	0	0	112.4
56	S	26.2	Very low	26.9	Very low	95 Å²	95	116 Å²	116	66%	0.664	73%	0.73	S	S	*	*			trans	-22.8	150.8	139.7	39.7	0	0	0	0	116.1
57	S	22.8	Very low	27	Very low	102 Å²	102	117.8 Å²	117.8	71%	0.713	73%	0.732	S	S	*	*			cis	79	87.3	33.3	87	0	0	0	0	116.5
58	S	24.1	Very low	27	Very low	102 Å²	102	117.4 Å²	117.4	71%	0.713	74%	0.736	S	S	*	*			trans	53.1	133.6	136.1	60.5	0	0	0	0	123.2
59	S	25.6	Very low	27.2	Very low	115 Å²	115	120.7 Å²	120.7	80%	0.804	74%	0.744	S	S	*	*			trans	63.8	160.1	150	53	0	0	0	0	117.9
60	S	26.8	Very low	27.4	Very low	104 Å²	104	123.5 Å²	123.5	73%	0.727	75%	0.749	S	S	*	*			cis	-151.6	174.5	-6	30.3	0	0	0	0	107.6
61	V	26.9	Very low	27.4	Very low	128 Å²	128	125.5 Å²	125.5	78%	0.776	75%	0.75	S	S	*	*				173.6	139	84.1	162.2	0	0	0	0	110.1
62	H	23	Very low	27.5	Very low	152 Å²	152	125.8 Å²	125.8	70%	0.704	75%	0.75	S	S	*	*			trans	-4.3	136.6	152.9	-82.5	-100.2	0	0	0	123.9
63	E	22.8	Very low	27.5	Very low	160 Å²	160	127 Å²	127	75%	0.748	75%	0.751	S	S	*	*				50.4	165.3	122.6	-68.2	-168.5	106.8	0	0	123.5
64	P	39.3	Very low	27.4	Very low	92 Å²	92	128.4 Å²	128.4	60%	0.597	76%	0.756	S	S	*	*			cis	-142	175.8	-44.2	41.3	-25.4	0	0	0	114.5
65	K	23.3	Very low	27.6	Very low	186 Å²	186	131.9 Å²	131.9	81%	0.809	76%	0.763	S	S	*	*			trans	65.8	163.2	161	-70.9	174.4	178.4	177.8	0	116.5
66	M	25.1	Very low	28.1	Very low	147 Å²	147	136 Å²	136	72%	0.724	77%	0.771	S	S	*	*			cis	-146.3	163.7	-3.7	-138.7	157.1	166.9	0	0	112.7
67	D	26.2	Very low	28.7	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	78%	0.78	S	S	*	*			trans	-21.6	134.1	175	-47.5	-44.8	0	0	0	120.7
68	A	26.3	Very low	29.9	Very low	103 Å²	103	137.8 Å²	137.8	85%	0.851	78%	0.775	S	S	*	*			trans	-146.6	122.2	147.8	0	0	0	0	0	110.2
69	L	31.1	Very low	31	Very low	176 Å²	176	135.3 Å²	135.3	92%	0.921	76%	0.757	S	S	*	*			trans	-90.2	111	-167.4	178.2	113	0	0	0	112.8
70	I	30.9	Very low	32	Very low	159 Å²	159	132.7 Å²	132.7	82%	0.815	73%	0.734	S	S	*	*			trans	-133.8	134.5	162.8	-57.3	-176.2	0	0	0	111.1
71	I	28.3	Very low	32.9	Very low	149 Å²	149	133.2 Å²	133.2	76%	0.764	74%	0.738	S	S	*	*			trans	-33	136	-179.3	-59.7	166.4	0	0	0	114.9
72	P	29	Very low	34.1	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	74%	0.738	S	S	*	*			trans	-78.5	140.2	-172.2	31.7	-36.5	0	0	0	114.5
73	V	29.3	Very low	35.6	Very low	138 Å²	138	133 Å²	133	84%	0.836	74%	0.737	S	S	*	*			trans	-118.7	98.1	155.3	179	0	0	0	0	107.5	M75	V73-M75 PolarHBondContact O-N 3.27Å
74	T	30.1	Very low	37.4	Very low	125 Å²	125	131.4 Å²	131.4	77%	0.767	73%	0.73	S	S	*	*			trans	-77.9	116.5	-178	48.6	0	0	0	0	111.4
75	M	32.9	Very low	38.7	Very low	184 Å²	184	132.6 Å²	132.6	91%	0.906	72%	0.722	S	S	*	*			trans	-121.2	47.3	163.7	-75.2	-160.7	69.3	0	0	111.9	V73	V73-M75 PolarHBondContact O-N 3.27Å
76	E	39.2	Very low	41.3	Very low	187 Å²	187	126.2 Å²	126.2	87%	0.874	70%	0.696	S	S	*	*			trans	-123.8	89.5	166.3	-74.3	-162.2	151.1	0	0	111.3
77	V	39.3	Very low	43.8	Very low	143 Å²	143	124 Å²	124	87%	0.867	68%	0.68	S	S	*	*			trans	-157.6	155.4	145.8	-122.4	0	0	0	0	108.5
78	P	48.7	Very low	46.5	Very low	92 Å²	92	123.9 Å²	123.9	60%	0.597	67%	0.669	S	S	*	*				-118.2	-172.6	-91.7	40.7	-29.7	0	0	0	112.1	D80	P78-D80 PolarHBondContact O-N 2.71Å
79	C	48	Very low	49.4	Very low	49 Å²	49	120 Å²	120	33%	0.331	64%	0.636	S	S	.	*	S	Bend	trans	-62.9	117.7	149.8	-132.8	0	0	0	0	108.1	S81 C206 R266	C79-S81 PolarHBondContact O-N 3.36Å; C79-C206 HydrophobicContact CB-CB 3.77Å; C79-C206 WeakPolarHBondContact CB-SG 3.42Å; C79-C206 WeakPolarHBondContact SG-CB 3.32Å; C79-C206 CovalentContact SG-SG 2.03Å; C79-C206 PolarHBondContact SG-SG 3.34Å; C79-R266 PolarHBondContact SG-NE 3.5Å; C79-R266 VanDerWaalsContact SG-NE 3.41Å
80	D	45	Very low	52.1	Low	60 Å²	60	111.7 Å²	111.7	32%	0.321	59%	0.593	S	S	.	*			trans	-42.9	124.3	-167.9	173.2	32.9	0	0	0	115.4	P78 R82 G83	P78-D80 PolarHBondContact O-N 2.71Å; D80-R82 PolarHBondContact O-N 3.09Å; D80-R82 PolarHBondContact OD1-N 2.96Å; D80-G83 PolarHBondContact O-N 3.26Å
81	S	47.3	Very low	54.8	Low	116 Å²	116	106.6 Å²	106.6	81%	0.811	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-2.4	-179.4	55.1	0	0	0	0	114.4	C79	C79-S81 PolarHBondContact O-N 3.36Å
82	R	50.7	Low	57.8	Low	209 Å²	209	101.6 Å²	101.6	79%	0.789	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.5	171.8	-62.9	-177.6	169.9	-166.8	-3.7	114.3	D80 Q84	D80-R82 PolarHBondContact O-N 3.09Å; D80-R82 PolarHBondContact OD1-N 2.96Å; R82-Q84 HydrophobicContact CB-CG 4.46Å; R82-Q84 PolarHBondContact O-N 2.85Å
83	G	54.9	Low	60.8	Low	66 Å²	66	97.5 Å²	97.5	68%	0.68	52%	0.522	S	S	*	.			trans	66.2	19.8	173.7	0	0	0	0	0	114.9	D80 R85	D80-G83 PolarHBondContact O-N 3.26Å; G83-R85 PolarHBondContact O-N 3.19Å
84	Q	61.5	Low	63.8	Low	126 Å²	126	91 Å²	91	59%	0.589	48%	0.483	S	S	*	.			trans	-71.7	129.1	178.5	-66.3	-166.2	-29.9	0	0	111.1	R82 R266	R82-Q84 HydrophobicContact CB-CG 4.46Å; R82-Q84 PolarHBondContact O-N 2.85Å; Q84-R266 PolarHBondContact O-NH1 2.89Å
85	R	66	Low	66.8	Low	117 Å²	117	88.1 Å²	88.1	44%	0.442	46%	0.461	S	S	.	.			trans	-71.3	127.1	175.2	-63.1	-175.4	179.7	176	-0.9	109.9	G83 E204 S324	G83-R85 PolarHBondContact O-N 3.19Å; R85-E204 VanDerWaalsContact CA-OE2 3.29Å; R85-E204 WeakPolarHBondContact CA-OE2 2.77Å; R85-E204 VanDerWaalsContact CB-OE2 3.3Å; R85-E204 WeakPolarHBondContact CB-OE2 3.35Å; R85-S324 PolarHBondContact NH1-O 2.95Å
86	M	77.2	Confident	69.7	Low	52 Å²	52	84.3 Å²	84.3	26%	0.256	45%	0.448	S	S	.	.			trans	-107.4	11.8	-175	-67.7	-67.5	-74.1	0	0	113.4	W88 A89 F90 E204	M86-W88 HydrophobicContact CE-CH2 4.16Å; M86-W88 HydrophobicContact CE-CZ2 3.49Å; M86-W88 VanDerWaalsContact CE-CZ2 3.49Å; M86-W88 PolarHBondContact O-N 2.07Å; M86-W88 HydrophobicContact SD-CZ2 3.77Å; M86-A89 WeakPolarHBondContact O-CB 3.38Å; M86-A89 PolarHBondContact O-N 2.97Å; M86-F90 WeakPolarHBondContact O-CD2 3.37Å; M86-E204 VanDerWaalsContact N-CD 3.35Å; M86-E204 PolarHBondContact N-OE1 2.84Å; M86-E204 PolarHBondContact N-OE2 3.29Å; M86-E204 VanDerWaalsContact N-OE2 3.08Å
87	W	78.2	Confident	72.2	Confident	100 Å²	100	78.1 Å²	78.1	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-39.7	-36	174.5	68.6	-86.8	0	0	0	115.2	A89 F90 L91 E204 W268	W87-A89 VanDerWaalsContact C-N 3.3Å; W87-A89 PolarHBondContact O-N 3.31Å; W87-F90 PolarHBondContact O-N 3.04Å; W87-L91 HydrophobicContact CE3-CD2 4.49Å; W87-L91 HydrophobicContact CZ3-CD2 3.99Å; W87-L91 PolarHBondContact O-N 3.44Å; W87-E204 PolarHBondContact N-OE2 2.86Å; W87-W268 HydrophobicContact CB-CD2 4.35Å; W87-W268 HydrophobicContact CB-CZ2 4.04Å
88	W	83.4	Confident	74.8	Confident	142 Å²	142	72.7 Å²	72.7	54%	0.538	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-32.2	-179	59.6	-93.6	0	0	0	113.2	M86 A92	M86-W88 HydrophobicContact CE-CH2 4.16Å; M86-W88 HydrophobicContact CE-CZ2 3.49Å; M86-W88 VanDerWaalsContact CE-CZ2 3.49Å; M86-W88 PolarHBondContact O-N 2.07Å; M86-W88 HydrophobicContact SD-CZ2 3.77Å; W88-A92 WeakPolarHBondContact O-CB 3.18Å; W88-A92 PolarHBondContact O-N 3.2Å
89	A	86.3	Confident	76.9	Confident	21 Å²	21	72.8 Å²	72.8	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-67.6	-39.8	179.2	0	0	0	0	0	111.8	M86 W87 S93 L264	M86-A89 WeakPolarHBondContact O-CB 3.38Å; M86-A89 PolarHBondContact O-N 2.97Å; W87-A89 VanDerWaalsContact C-N 3.3Å; W87-A89 PolarHBondContact O-N 3.31Å; A89-S93 PolarHBondContact O-N 2.94Å; A89-S93 VanDerWaalsContact O-N 3.11Å; A89-L264 HydrophobicContact CB-CD1 4.38Å
90	F	87.7	Confident	79	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-51.4	175.5	-60.1	-96	0	0	0	110.9	M86 W87 A92 S93 S94 P257 V260 L264 R266 W268	M86-F90 WeakPolarHBondContact O-CD2 3.37Å; W87-F90 PolarHBondContact O-N 3.04Å; F90-A92 PolarHBondContact O-N 3.4Å; F90-S93 PolarHBondContact O-N 3.27Å; F90-S93 PolarHBondContact O-OG 3.03Å; F90-S94 PolarHBondContact O-N 3.3Å; F90-P257 HydrophobicContact CB-CB 4.29Å; F90-P257 HydrophobicContact CD1-CB 4.22Å; F90-P257 WeakPolarHBondContact CD1-O 3.47Å; F90-V260 HydrophobicContact CD1-CB 4.12Å; F90-V260 HydrophobicContact CD1-CG1 3.85Å; F90-V260 HydrophobicContact CE1-CB 4.42Å; F90-V260 HydrophobicContact CE1-CG1 4.01Å; F90-V260 HydrophobicContact CG-CG1 4.15Å; F90-V260 HydrophobicContact CZ-CG1 4.44Å; F90-L264 HydrophobicContact CE2-CD1 4.41Å; F90-L264 HydrophobicContact CZ-CD1 4.41Å; F90-R266 WeakPolarHBondContact CZ-O 3.47Å; F90-W268 HydrophobicContact CB-CD2 4.19Å; F90-W268 HydrophobicContact CB-CE3 3.3Å; F90-W268 HydrophobicContact CB-CZ3 3.59Å; F90-W268 HydrophobicContact CD1-CB 4.17Å; F90-W268 HydrophobicContact CD1-CE3 4.31Å; F90-W268 HydrophobicContact CD2-CB 4Å; F90-W268 HydrophobicContact CD2-CD2 4.38Å; F90-W268 HydrophobicContact CD2-CE3 4.27Å; F90-W268 HydrophobicContact CD2-CG 4.32Å; F90-W268 HydrophobicContact CE1-CB 4.07Å; F90-W268 HydrophobicContact CE2-CB 3.91Å; F90-W268 HydrophobicContact CG-CB 4.14Å; F90-W268 HydrophobicContact CG-CD2 4.28Å; F90-W268 AromaticContact CG-CE3 3.75Å; F90-W268 HydrophobicContact CG-CE3 3.75Å; F90-W268 HydrophobicContact CG-CG 4.49Å; F90-W268 HydrophobicContact CG-CZ3 4.5Å; F90-W268 HydrophobicContact CZ-CB 3.95Å
91	L	88.6	Confident	81.2	Confident	52 Å²	52	69.6 Å²	69.6	27%	0.272	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-40.4	179.6	-175.7	61.5	0	0	0	112	W87 S93 S94 M95 F253 W268 L271	W87-L91 HydrophobicContact CE3-CD2 4.49Å; W87-L91 HydrophobicContact CZ3-CD2 3.99Å; W87-L91 PolarHBondContact O-N 3.44Å; L91-S93 VanDerWaalsContact C-N 3.3Å; L91-S93 PolarHBondContact O-N 3.15Å; L91-S94 PolarHBondContact O-N 3.01Å; L91-M95 HydrophobicContact CD1-CG 4.38Å; L91-M95 HydrophobicContact CG-CG 4.29Å; L91-M95 WeakPolarHBondContact O-CG 3.46Å; L91-M95 PolarHBondContact O-N 3.14Å; L91-F253 HydrophobicContact CD1-CE1 4.39Å; L91-W268 HydrophobicContact CB-CH2 4.24Å; L91-L271 HydrophobicContact CD1-CD1 3.85Å
92	A	89.8	Confident	83.3	Confident	43 Å²	43	65.3 Å²	65.3	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-39.1	175.3	0	0	0	0	0	112	W88 F90 S94 M95 V96	W88-A92 WeakPolarHBondContact O-CB 3.18Å; W88-A92 PolarHBondContact O-N 3.2Å; F90-A92 PolarHBondContact O-N 3.4Å; A92-S94 PolarHBondContact O-N 3.37Å; A92-M95 PolarHBondContact O-N 3.41Å; A92-V96 WeakPolarHBondContact O-CB 3.23Å; A92-V96 VanDerWaalsContact O-CG2 3.28Å; A92-V96 WeakPolarHBondContact O-CG2 3.24Å; A92-V96 PolarHBondContact O-N 3.48Å
93	S	92.8	Very high	85.3	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-44.9	178	76.5	0	0	0	0	112.9	A89 F90 L91 T97	A89-S93 PolarHBondContact O-N 2.94Å; A89-S93 VanDerWaalsContact O-N 3.11Å; F90-S93 PolarHBondContact O-N 3.27Å; F90-S93 PolarHBondContact O-OG 3.03Å; L91-S93 VanDerWaalsContact C-N 3.3Å; L91-S93 PolarHBondContact O-N 3.15Å; S93-T97 WeakPolarHBondContact O-CB 3.42Å; S93-T97 PolarHBondContact O-N 2.59Å; S93-T97 PolarHBondContact O-OG1 3.17Å
94	S	93.3	Very high	87.1	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-44.5	174.4	-69.6	0	0	0	0	112.3	F90 L91 A92 T97 F98 F252 P257	F90-S94 PolarHBondContact O-N 3.3Å; L91-S94 PolarHBondContact O-N 3.01Å; A92-S94 PolarHBondContact O-N 3.37Å; S94-T97 PolarHBondContact O-N 3.21Å; S94-F98 WeakPolarHBondContact O-CB 3.34Å; S94-F98 PolarHBondContact O-N 2.9Å; S94-F252 WeakPolarHBondContact CB-O 3.33Å; S94-F252 PolarHBondContact OG-O 3.32Å; S94-P257 WeakPolarHBondContact OG-CD 3.44Å; S94-P257 VanDerWaalsContact OG-CG 3.31Å; S94-P257 WeakPolarHBondContact OG-CG 3.29Å
95	M	91.8	Very high	88.4	Confident	63 Å²	63	58.7 Å²	58.7	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-44.7	179.5	-66.1	-86.3	72.6	0	0	112.2	L91 A92 F98 F99 F253	L91-M95 HydrophobicContact CD1-CG 4.38Å; L91-M95 HydrophobicContact CG-CG 4.29Å; L91-M95 WeakPolarHBondContact O-CG 3.46Å; L91-M95 PolarHBondContact O-N 3.14Å; A92-M95 PolarHBondContact O-N 3.41Å; M95-F98 PolarHBondContact O-N 3.09Å; M95-F99 HydrophobicContact CE-CD2 4.15Å; M95-F99 HydrophobicContact CE-CE2 3.61Å; M95-F99 WeakPolarHBondContact O-CB 3.14Å; M95-F99 WeakPolarHBondContact O-CD2 3.28Å; M95-F99 PolarHBondContact O-N 2.88Å; M95-F99 HydrophobicContact SD-CE2 3.95Å; M95-F253 HydrophobicContact CE-CE1 3.74Å; M95-F253 HydrophobicContact CE-CZ 3.51Å
96	V	93.6	Very high	89.6	Confident	104 Å²	104	56.6 Å²	56.6	63%	0.63	30%	0.295	S	S	*	.	H	α-helix	trans	-67	-39.1	178.3	171.1	0	0	0	0	111.1	A92 G100	A92-V96 WeakPolarHBondContact O-CB 3.23Å; A92-V96 VanDerWaalsContact O-CG2 3.28Å; A92-V96 WeakPolarHBondContact O-CG2 3.24Å; A92-V96 PolarHBondContact O-N 3.48Å; V96-G100 VanDerWaalsContact O-CA 3.26Å; V96-G100 WeakPolarHBondContact O-CA 3.48Å; V96-G100 PolarHBondContact O-N 2.66Å
97	T	92.6	Very high	90.2	Very high	57 Å²	57	58.9 Å²	58.9	35%	0.35	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-50.4	175.3	-61.6	0	0	0	0	110.9	S93 S94 G101 F252 P256	S93-T97 WeakPolarHBondContact O-CB 3.42Å; S93-T97 PolarHBondContact O-N 2.59Å; S93-T97 PolarHBondContact O-OG1 3.17Å; S94-T97 PolarHBondContact O-N 3.21Å; T97-G101 PolarHBondContact O-N 2.93Å; T97-G101 VanDerWaalsContact O-N 3.1Å; T97-F252 HydrophobicContact CG2-CD1 3.84Å; T97-F252 HydrophobicContact CG2-CE1 4.3Å; T97-P256 HydrophobicContact CG2-CG 4.34Å
98	F	93.1	Very high	90.8	Very high	29 Å²	29	62.5 Å²	62.5	13%	0.127	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-56.8	-178	177.6	-111.1	0	0	0	112.6	S94 M95 L102 W243 L244 V249 F252	S94-F98 WeakPolarHBondContact O-CB 3.34Å; S94-F98 PolarHBondContact O-N 2.9Å; M95-F98 PolarHBondContact O-N 3.09Å; F98-L102 VanDerWaalsContact O-CB 3.27Å; F98-L102 WeakPolarHBondContact O-CB 3.29Å; F98-L102 PolarHBondContact O-N 2.96Å; F98-W243 AromaticContact CD2-NE1 3.86Å; F98-W243 PolarHBondContact O-NE1 3.21Å; F98-L244 HydrophobicContact CE2-CD2 4.25Å; F98-L244 HydrophobicContact CZ-CD2 3.95Å; F98-V249 HydrophobicContact CE2-CG2 4.25Å; F98-F252 AromaticContact CD2-CD2 3.6Å; F98-F252 HydrophobicContact CD2-CD2 3.6Å; F98-F252 AromaticContact CD2-CE2 3.94Å; F98-F252 HydrophobicContact CD2-CE2 3.94Å; F98-F252 HydrophobicContact CD2-CG 4.42Å; F98-F252 HydrophobicContact CE2-CD2 4.35Å; F98-F252 HydrophobicContact CE2-CE2 4.47Å
99	F	92.6	Very high	91.1	Very high	94 Å²	94	60 Å²	60	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-72.6	-37.4	-177.3	-71.9	-65	0	0	0	112.4	M95 L102 F103	M95-F99 HydrophobicContact CE-CD2 4.15Å; M95-F99 HydrophobicContact CE-CE2 3.61Å; M95-F99 WeakPolarHBondContact O-CB 3.14Å; M95-F99 WeakPolarHBondContact O-CD2 3.28Å; M95-F99 PolarHBondContact O-N 2.88Å; M95-F99 HydrophobicContact SD-CE2 3.95Å; F99-L102 HydrophobicContact CD1-CD2 4.39Å; F99-L102 PolarHBondContact O-N 3.19Å; F99-F103 HydrophobicContact CB-CD2 4.43Å; F99-F103 HydrophobicContact CB-CE2 4.28Å; F99-F103 WeakPolarHBondContact O-CD2 3.36Å; F99-F103 PolarHBondContact O-N 3.03Å
100	G	92.4	Very high	91.1	Very high	30 Å²	30	63 Å²	63	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-49	177.2	0	0	0	0	0	112.1	V96 F103 I104	V96-G100 VanDerWaalsContact O-CA 3.26Å; V96-G100 WeakPolarHBondContact O-CA 3.48Å; V96-G100 PolarHBondContact O-N 2.66Å; G100-F103 PolarHBondContact O-N 2.77Å; G100-I104 VanDerWaalsContact O-CG1 3.29Å; G100-I104 WeakPolarHBondContact O-CG1 3.28Å; G100-I104 PolarHBondContact O-N 2.97Å
101	G	91	Very high	91.1	Very high	13 Å²	13	67.8 Å²	67.8	13%	0.134	35%	0.354	C	S	.	.	H	α-helix	trans	-65.8	-37.3	175.4	0	0	0	0	0	113.3	T97 I104 I105	T97-G101 PolarHBondContact O-N 2.93Å; T97-G101 VanDerWaalsContact O-N 3.1Å; G101-I104 PolarHBondContact O-N 2.9Å; G101-I105 WeakPolarHBondContact O-CG1 3.27Å; G101-I105 PolarHBondContact O-N 3.49Å
102	L	92	Very high	90.8	Very high	26 Å²	26	71.6 Å²	71.6	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-46.8	174.3	-178.5	62.1	0	0	0	111.5	F98 F99 I105 L106 L240 L244	F98-L102 VanDerWaalsContact O-CB 3.27Å; F98-L102 WeakPolarHBondContact O-CB 3.29Å; F98-L102 PolarHBondContact O-N 2.96Å; F99-L102 HydrophobicContact CD1-CD2 4.39Å; F99-L102 PolarHBondContact O-N 3.19Å; L102-I105 PolarHBondContact O-N 3.45Å; L102-L106 HydrophobicContact CD1-CD1 4.35Å; L102-L106 HydrophobicContact CG-CD1 4.17Å; L102-L106 WeakPolarHBondContact O-CG 3.5Å; L102-L106 PolarHBondContact O-N 2.98Å; L102-L240 HydrophobicContact CD1-CD1 3.44Å; L102-L240 VanDerWaalsContact CD1-CD1 3.44Å; L102-L244 HydrophobicContact CD1-CD2 4.16Å; L102-L244 HydrophobicContact CD2-CD2 4.49Å
103	F	92	Very high	90.3	Very high	125 Å²	125	77.9 Å²	77.9	55%	0.548	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-39.3	175	-75.2	-57.2	0	0	0	112.2	F99 G100 I105 L106 L107	F99-F103 HydrophobicContact CB-CD2 4.43Å; F99-F103 HydrophobicContact CB-CE2 4.28Å; F99-F103 WeakPolarHBondContact O-CD2 3.36Å; F99-F103 PolarHBondContact O-N 3.03Å; G100-F103 PolarHBondContact O-N 2.77Å; F103-I105 PolarHBondContact O-N 3.37Å; F103-L106 PolarHBondContact O-N 2.75Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.29Å; F103-L107 VanDerWaalsContact O-CG 3.22Å; F103-L107 WeakPolarHBondContact O-CG 3.49Å; F103-L107 PolarHBondContact O-N 3.06Å
104	I	92.6	Very high	89.7	Confident	117 Å²	117	81.5 Å²	81.5	60%	0.6	40%	0.401	S	S	*	.	H	α-helix	trans	-60.6	-44.2	174.8	-70.9	163.8	0	0	0	111.2	G100 G101 W108	G100-I104 VanDerWaalsContact O-CG1 3.29Å; G100-I104 WeakPolarHBondContact O-CG1 3.28Å; G100-I104 PolarHBondContact O-N 2.97Å; G101-I104 PolarHBondContact O-N 2.9Å; I104-W108 VanDerWaalsContact O-CB 3.28Å; I104-W108 WeakPolarHBondContact O-CB 3.36Å; I104-W108 PolarHBondContact O-N 3.45Å
105	I	90.4	Very high	88.9	Confident	20 Å²	20	90.3 Å²	90.3	10%	0.103	43%	0.434	C	S	.	.	H	α-helix	trans	-65.5	-42.3	178.1	-68	165.9	0	0	0	111.3	G101 L102 F103 R109 F233 L240 W243	G101-I105 WeakPolarHBondContact O-CG1 3.27Å; G101-I105 PolarHBondContact O-N 3.49Å; L102-I105 PolarHBondContact O-N 3.45Å; F103-I105 PolarHBondContact O-N 3.37Å; I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.16Å; I105-F233 HydrophobicContact CD1-CE2 4.49Å; I105-L240 HydrophobicContact CG2-CB 3.84Å; I105-L240 HydrophobicContact CG2-CD1 4.01Å; I105-W243 HydrophobicContact CD1-CB 3.89Å; I105-W243 HydrophobicContact CD1-CD2 3.6Å; I105-W243 HydrophobicContact CD1-CE3 3.52Å; I105-W243 HydrophobicContact CD1-CG 3.78Å; I105-W243 HydrophobicContact CD1-CZ3 4.3Å
106	L	90.4	Very high	87.9	Confident	72 Å²	72	91.4 Å²	91.4	38%	0.377	44%	0.444	S	S	.	.	H	α-helix	trans	-66.5	-44.7	177.5	-69.5	172.8	0	0	0	111.8	L102 F103 R109 T110 L240	L102-L106 HydrophobicContact CD1-CD1 4.35Å; L102-L106 HydrophobicContact CG-CD1 4.17Å; L102-L106 WeakPolarHBondContact O-CG 3.5Å; L102-L106 PolarHBondContact O-N 2.98Å; F103-L106 PolarHBondContact O-N 2.75Å; L106-R109 WeakPolarHBondContact O-CB 3.31Å; L106-R109 PolarHBondContact O-N 2.71Å; L106-T110 PolarHBondContact O-N 2.76Å; L106-T110 PolarHBondContact O-OG1 3.08Å; L106-L240 HydrophobicContact CD2-CD1 4.06Å; L106-L240 HydrophobicContact CD2-CD2 3.99Å; L106-L240 HydrophobicContact CG-CD1 4.4Å
107	L	90.3	Very high	86.8	Confident	100 Å²	100	91 Å²	91	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-41.2	175.4	-72.9	169.7	0	0	0	111.8	F103 R109 T110 L111	F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.29Å; F103-L107 VanDerWaalsContact O-CG 3.22Å; F103-L107 WeakPolarHBondContact O-CG 3.49Å; F103-L107 PolarHBondContact O-N 3.06Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.34Å; L107-T110 WeakPolarHBondContact CA-OG1 3.47Å; L107-T110 PolarHBondContact O-N 2.84Å; L107-T110 PolarHBondContact O-OG1 3.24Å; L107-T110 VanDerWaalsContact O-OG1 3.13Å; L107-L111 VanDerWaalsContact O-CB 3.26Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 3.37Å
108	W	90.1	Very high	85.5	Confident	176 Å²	176	92.2 Å²	92.2	67%	0.667	45%	0.452	S	S	*	.	H	α-helix	trans	-62.6	-38.9	175.2	-173.9	-98.4	0	0	0	111.9	I104 K112	I104-W108 VanDerWaalsContact O-CB 3.28Å; I104-W108 WeakPolarHBondContact O-CB 3.36Å; I104-W108 PolarHBondContact O-N 3.45Å; W108-K112 VanDerWaalsContact O-CB 3.32Å; W108-K112 WeakPolarHBondContact O-CB 3.42Å; W108-K112 WeakPolarHBondContact O-CG 3.22Å; W108-K112 PolarHBondContact O-N 2.92Å
109	R	89.6	Confident	84	Confident	90 Å²	90	94.1 Å²	94.1	34%	0.34	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-51.8	173.1	-78.3	-176.8	165.9	-159	-13.1	111.9	I105 L106 L107 L111 K112 Y113 D238	I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.16Å; L106-R109 WeakPolarHBondContact O-CB 3.31Å; L106-R109 PolarHBondContact O-N 2.71Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.34Å; R109-L111 VanDerWaalsContact C-N 3.35Å; R109-L111 PolarHBondContact O-N 3.23Å; R109-K112 PolarHBondContact O-N 2.92Å; R109-Y113 WeakPolarHBondContact O-CD2 3.48Å; R109-Y113 PolarHBondContact O-N 3.36Å; R109-D238 IonicContact CZ-OD1 3.55Å; R109-D238 IonicContact CZ-OD2 3.44Å; R109-D238 IonicContact NH1-OD1 3.58Å; R109-D238 IonicContact NH1-OD2 3.25Å; R109-D238 PolarHBondContact NH1-OD2 3.45Å; R109-D238 IonicContact NH2-OD1 3.02Å; R109-D238 PolarHBondContact NH2-OD1 3.32Å; R109-D238 IonicContact NH2-OD2 2.71Å; R109-D238 PolarHBondContact NH2-OD2 3.02Å
110	T	86.9	Confident	82.1	Confident	83 Å²	83	97.5 Å²	97.5	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-63.2	-41	-179.1	55.5	0	0	0	0	111.6	L106 L107 Y113 L114	L106-T110 PolarHBondContact O-N 2.76Å; L106-T110 PolarHBondContact O-OG1 3.08Å; L107-T110 WeakPolarHBondContact CA-OG1 3.47Å; L107-T110 PolarHBondContact O-N 2.84Å; L107-T110 PolarHBondContact O-OG1 3.24Å; L107-T110 VanDerWaalsContact O-OG1 3.13Å; T110-Y113 PolarHBondContact O-N 3.22Å; T110-L114 WeakPolarHBondContact O-CB 3.3Å; T110-L114 PolarHBondContact O-N 2.94Å
111	L	87.3	Confident	79.9	Confident	104 Å²	104	102 Å²	102	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-40.1	175.2	-70.1	169.7	0	0	0	112.6	L107 R109 L114 W115	L107-L111 VanDerWaalsContact O-CB 3.26Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 3.37Å; R109-L111 VanDerWaalsContact C-N 3.35Å; R109-L111 PolarHBondContact O-N 3.23Å; L111-L114 PolarHBondContact O-N 2.97Å; L111-W115 VanDerWaalsContact O-CB 3.28Å; L111-W115 WeakPolarHBondContact O-CB 3.34Å; L111-W115 PolarHBondContact O-N 3.08Å
112	K	83	Confident	77.4	Confident	132 Å²	132	105.1 Å²	105.1	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-60.7	-46	174.4	-90.4	-76.2	-174.9	177.4	0	112.5	W108 R109 T116	W108-K112 VanDerWaalsContact O-CB 3.32Å; W108-K112 WeakPolarHBondContact O-CB 3.42Å; W108-K112 WeakPolarHBondContact O-CG 3.22Å; W108-K112 PolarHBondContact O-N 2.92Å; R109-K112 PolarHBondContact O-N 2.92Å; K112-T116 PolarHBondContact O-N 3.48Å; K112-T116 PolarHBondContact O-OG1 3.49Å
113	Y	79.8	Confident	74.8	Confident	174 Å²	174	107.3 Å²	107.3	68%	0.682	57%	0.571	S	S	*	*	H	α-helix	trans	-71.5	-38.7	177.7	-83.6	-77.6	0	0	0	112.6	R109 T110 W115 T116 V117	R109-Y113 WeakPolarHBondContact O-CD2 3.48Å; R109-Y113 PolarHBondContact O-N 3.36Å; T110-Y113 PolarHBondContact O-N 3.22Å; Y113-W115 VanDerWaalsContact C-N 3.31Å; Y113-W115 PolarHBondContact O-N 2.85Å; Y113-T116 PolarHBondContact O-N 2.95Å; Y113-T116 PolarHBondContact O-OG1 3.33Å; Y113-T116 VanDerWaalsContact O-OG1 3.07Å; Y113-V117 WeakPolarHBondContact O-CB 3.31Å; Y113-V117 VanDerWaalsContact O-CG2 3.3Å; Y113-V117 WeakPolarHBondContact O-CG2 3.06Å; Y113-V117 PolarHBondContact O-N 2.68Å
114	L	79.3	Confident	72.1	Confident	101 Å²	101	110.6 Å²	110.6	53%	0.529	59%	0.585	S	S	.	*	H	α-helix	trans	-64.9	-37	176.7	-169.4	70.3	0	0	0	111.1	T110 L111 V117 C118	T110-L114 WeakPolarHBondContact O-CB 3.3Å; T110-L114 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 2.97Å; L114-V117 PolarHBondContact O-N 2.9Å; L114-C118 VanDerWaalsContact CD1-SG 3.57Å; L114-C118 VanDerWaalsContact O-CB 3.23Å; L114-C118 WeakPolarHBondContact O-CB 3.5Å; L114-C118 PolarHBondContact O-N 3.16Å
115	W	75.5	Confident	69.2	Low	186 Å²	186	111.7 Å²	111.7	71%	0.705	60%	0.597	S	S	*	*	H	α-helix	trans	-63.8	-44.4	175.6	-169.6	-94.1	0	0	0	112.4	L111 Y113 C119	L111-W115 VanDerWaalsContact O-CB 3.28Å; L111-W115 WeakPolarHBondContact O-CB 3.34Å; L111-W115 PolarHBondContact O-N 3.08Å; Y113-W115 VanDerWaalsContact C-N 3.31Å; Y113-W115 PolarHBondContact O-N 2.85Å; W115-C119 HydrophobicContact CD2-CB 4.38Å; W115-C119 WeakPolarHBondContact O-CA 3.37Å; W115-C119 WeakPolarHBondContact O-CB 3.36Å; W115-C119 PolarHBondContact O-N 3.11Å
116	T	71.9	Confident	66.8	Low	87 Å²	87	120.1 Å²	120.1	53%	0.534	63%	0.633	S	S	.	*	H	α-helix	trans	-70.1	-33.1	176.3	43.7	0	0	0	0	113.2	K112 Y113 H120	K112-T116 PolarHBondContact O-N 3.48Å; K112-T116 PolarHBondContact O-OG1 3.49Å; Y113-T116 PolarHBondContact O-N 2.95Å; Y113-T116 PolarHBondContact O-OG1 3.33Å; Y113-T116 VanDerWaalsContact O-OG1 3.07Å; T116-H120 WeakPolarHBondContact O-CB 3.5Å
117	V	69.6	Low	64	Low	94 Å²	94	126.1 Å²	126.1	57%	0.57	66%	0.659	S	S	*	*	H	α-helix	trans	-76.6	-43.9	178.3	172.4	0	0	0	0	112.3	Y113 L114	Y113-V117 WeakPolarHBondContact O-CB 3.31Å; Y113-V117 VanDerWaalsContact O-CG2 3.3Å; Y113-V117 WeakPolarHBondContact O-CG2 3.06Å; Y113-V117 PolarHBondContact O-N 2.68Å; L114-V117 PolarHBondContact O-N 2.9Å
118	C	66.2	Low	61.2	Low	84 Å²	84	125.7 Å²	125.7	57%	0.568	67%	0.67	S	S	*	*	H	α-helix	trans	-87.6	-27.2	-176	-64.7	0	0	0	0	114	L114	L114-C118 VanDerWaalsContact CD1-SG 3.57Å; L114-C118 VanDerWaalsContact O-CB 3.23Å; L114-C118 WeakPolarHBondContact O-CB 3.5Å; L114-C118 PolarHBondContact O-N 3.16Å
119	C	61.1	Low	58.3	Low	68 Å²	68	127 Å²	127	46%	0.459	68%	0.683	S	S	.	*	S	Bend	trans	-109.2	15.7	-174.2	-53	0	0	0	0	114.2	W115	W115-C119 HydrophobicContact CD2-CB 4.38Å; W115-C119 WeakPolarHBondContact O-CA 3.37Å; W115-C119 WeakPolarHBondContact O-CB 3.36Å; W115-C119 PolarHBondContact O-N 3.11Å
120	H	53.6	Low	55.5	Low	165 Å²	165	131.4 Å²	131.4	76%	0.764	71%	0.705	S	S	*	*	S	Bend	trans	-130.2	2.3	172.9	-121.2	53.4	0	0	0	116	T116 G122	T116-H120 WeakPolarHBondContact O-CB 3.5Å; H120-G122 PolarHBondContact O-N 3.18Å
121	C	45.3	Very low	52.8	Low	126 Å²	126	134.6 Å²	134.6	85%	0.851	72%	0.717	S	S	*	*	S	Bend	trans	-77.8	57.1	171.4	-80.7	0	0	0	0	113
122	G	38.5	Very low	49.8	Very low	77 Å²	77	136 Å²	136	79%	0.794	73%	0.726	S	S	*	*			trans	-169.4	55	-177.1	0	0	0	0	0	116	H120	H120-G122 PolarHBondContact O-N 3.18Å
123	G	36.8	Very low	47.2	Very low	72 Å²	72	137 Å²	137	74%	0.742	74%	0.737	S	S	*	*			trans	-166.5	52.5	-172	0	0	0	0	0	118.9
124	K	36.1	Very low	44.6	Very low	194 Å²	194	132.7 Å²	132.7	84%	0.843	75%	0.745	S	S	*	*			trans	50.1	121.6	156.8	-79	-171.8	174.9	-178.3	0	121.8
125	T	31.7	Very low	42	Very low	141 Å²	141	133 Å²	133	87%	0.865	76%	0.756	S	S	*	*			trans	72.4	151.8	139.2	47.1	0	0	0	0	121.4
126	K	39.9	Very low	39.8	Very low	196 Å²	196	129.3 Å²	129.3	85%	0.852	76%	0.759	S	S	*	*			trans	-119.3	140.5	-178.1	-55.1	167.7	179.4	173.4	0	109.5
127	E	31.9	Very low	37.7	Very low	199 Å²	199	134.1 Å²	134.1	93%	0.93	78%	0.775	S	S	*	*			trans	-129.8	121.8	140.3	-65.6	-171.8	158.1	0	0	105.5
128	A	30.6	Very low	35.9	Very low	90 Å²	90	134.2 Å²	134.2	74%	0.744	79%	0.786	S	S	*	*			cis	92.8	62.5	28	0	0	0	0	0	115.2
129	Q	30.7	Very low	34	Very low	204 Å²	204	138.6 Å²	138.6	95%	0.953	80%	0.804	S	S	*	*			trans	-137.5	152.1	141.9	-116	172.5	3.6	0	0	112.3
130	K	29.4	Very low	32.5	Very low	183 Å²	183	138.6 Å²	138.6	80%	0.796	82%	0.815	S	S	*	*			trans	-163.3	166.3	-170.1	-169.2	-176	179.8	-175.6	0	106.5
131	I	30.4	Very low	31.4	Very low	149 Å²	149	137.2 Å²	137.2	76%	0.764	82%	0.818	S	S	*	*			trans	82	136.5	176.6	-49.5	156.1	0	0	0	110
132	N	25.4	Very low	30.6	Very low	135 Å²	135	139.7 Å²	139.7	72%	0.722	82%	0.822	S	S	*	*			cis	-134.9	174.8	18.5	-144.5	-12.4	0	0	0	115.8
133	N	27.1	Very low	30.2	Very low	153 Å²	153	145 Å²	145	82%	0.818	82%	0.823	S	S	*	*			trans	-70.2	158.3	178.3	-49.3	-50.3	0	0	0	113.8
134	G	25.1	Very low	30.9	Very low	82 Å²	82	147 Å²	147	85%	0.845	82%	0.823	S	S	*	*			trans	-163.4	131.9	168.1	0	0	0	0	0	112.4
135	S	25	Very low	30.4	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	82%	0.82	S	S	*	*			trans	-94.1	142.5	-169.8	52.6	0	0	0	0	115.3
136	S	29.8	Very low	30.5	Very low	109 Å²	109	144.2 Å²	144.2	76%	0.762	82%	0.816	S	S	*	*			trans	66	153.9	139	-57.6	0	0	0	0	122.3
137	Q	28.1	Very low	30.1	Very low	188 Å²	188	144.1 Å²	144.1	88%	0.879	82%	0.819	S	S	*	*			trans	66.6	96.5	161.2	-72.4	-179.5	-67.8	0	0	120.3
138	A	30.9	Very low	30.3	Very low	96 Å²	96	144.2 Å²	144.2	79%	0.793	82%	0.816	S	S	*	*				40.2	130	109.4	0	0	0	0	0	122.5
139	D	26.9	Very low	30.3	Very low	176 Å²	176	149.3 Å²	149.3	94%	0.941	83%	0.825	S	S	*	*			trans	78.9	155.8	145.3	-151.3	10.8	0	0	0	119.5
140	G	30.1	Very low	30.2	Very low	67 Å²	67	148.3 Å²	148.3	69%	0.691	82%	0.82	S	S	*	*			trans	114.2	95	172.7	0	0	0	0	0	116.2
141	T	30.3	Very low	30.3	Very low	137 Å²	137	146 Å²	146	84%	0.84	82%	0.821	S	S	*	*			trans	-71.8	143	173	46.8	0	0	0	0	114.5
142	L	27.9	Very low	30.3	Very low	178 Å²	178	145.6 Å²	145.6	93%	0.932	83%	0.825	S	S	*	*			trans	-155.3	161.2	147.7	-110.9	150.6	0	0	0	112.1
143	K	29.9	Very low	30.8	Very low	189 Å²	189	143 Å²	143	82%	0.822	82%	0.823	S	S	*	*			trans	-132.3	167.5	-176.3	-98.5	-172.5	179.4	-177.3	0	108.2
144	P	50.9	Low	31.5	Very low	113 Å²	113	139.8 Å²	139.8	73%	0.734	82%	0.817	S	S	*	*			cis	-134.8	-148.3	-22.4	37.7	-17.3	0	0	0	111.2
145	V	26.4	Very low	32.4	Very low	129 Å²	129	145.1 Å²	145.1	78%	0.782	82%	0.82	S	S	*	*			trans	109.2	141.8	162.3	-175.5	0	0	0	0	115.3
146	D	34.3	Very low	33.8	Very low	147 Å²	147	145 Å²	145	79%	0.786	81%	0.814	S	S	*	*			trans	-68.8	134	-164.3	-48.8	-99.9	0	0	0	115.6
147	E	30.3	Very low	36	Very low	195 Å²	195	141.8 Å²	141.8	91%	0.911	80%	0.799	S	S	*	*			trans	-128.7	146	137.1	-72.5	-161.5	133.9	0	0	109.1
148	K	36.1	Very low	38.4	Very low	201 Å²	201	143 Å²	143	87%	0.874	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-96.2	116.3	177.3	-66	174.9	-179.2	174.1	0	109.2
149	E	31.7	Very low	40.6	Very low	196 Å²	196	146.2 Å²	146.2	92%	0.916	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-86.3	130.2	154.2	-71.3	-163.8	124.3	0	0	109.3
150	E	27.9	Very low	43.3	Very low	183 Å²	183	141 Å²	141	86%	0.855	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-79.6	145.5	-173.2	-67.4	-170.1	116.5	0	0	112.8	V152	E150-V152 PolarHBondContact O-N 3.1Å; E150-V152 VanDerWaalsContact O-N 3.11Å
151	V	32.5	Very low	45.8	Very low	134 Å²	134	140.4 Å²	140.4	81%	0.812	76%	0.756	S	S	*	*			trans	-73.3	103.5	177.3	-179.5	0	0	0	0	109.9	A153	V151-A153 VanDerWaalsContact C-N 3.27Å; V151-A153 HydrophobicContact CG1-CB 4.18Å; V151-A153 PolarHBondContact O-N 3.34Å
152	V	29.4	Very low	48.5	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	73%	0.728	S	S	*	*			trans	-72.9	88.2	160.4	-177.4	0	0	0	0	108.1	E150 A154	E150-V152 PolarHBondContact O-N 3.1Å; E150-V152 VanDerWaalsContact O-N 3.11Å; V152-A154 PolarHBondContact O-N 3.34Å
153	A	36.2	Very low	51.4	Low	81 Å²	81	130.1 Å²	130.1	67%	0.669	70%	0.695	S	S	*	*			trans	-70.8	90.6	179	0	0	0	0	0	110.8	V151 E155	V151-A153 VanDerWaalsContact C-N 3.27Å; V151-A153 HydrophobicContact CG1-CB 4.18Å; V151-A153 PolarHBondContact O-N 3.34Å; A153-E155 PolarHBondContact O-N 3.34Å
154	A	41.2	Very low	54.1	Low	85 Å²	85	125.1 Å²	125.1	70%	0.702	68%	0.677	S	S	*	*			trans	-60.8	128.8	161.4	0	0	0	0	0	108.9	V152 V156	V152-A154 PolarHBondContact O-N 3.34Å; A154-V156 PolarHBondContact O-N 2.87Å; A154-V156 VanDerWaalsContact O-N 3.17Å
155	E	44.3	Very low	55.8	Low	194 Å²	194	126.9 Å²	126.9	91%	0.907	67%	0.67	S	S	*	*			trans	-56.8	121.2	-174.3	-65.9	-175.2	123.3	0	0	111.4	A153 G157	A153-E155 PolarHBondContact O-N 3.34Å; E155-G157 PolarHBondContact O-N 3.44Å
156	V	55.4	Low	58.7	Low	104 Å²	104	120.8 Å²	120.8	63%	0.63	63%	0.632	S	S	*	*			trans	-71.8	93.2	179.7	-174.5	0	0	0	0	108.7	A154 T160	A154-V156 PolarHBondContact O-N 2.87Å; A154-V156 VanDerWaalsContact O-N 3.17Å; V156-T160 WeakPolarHBondContact CG1-OG1 2.9Å
157	G	74.9	Confident	61.1	Low	42 Å²	42	115 Å²	115	43%	0.433	61%	0.608	S	S	.	*			trans	-57.4	143.9	-176	0	0	0	0	0	112.6	E155 M159 T160 S161	E155-G157 PolarHBondContact O-N 3.44Å; G157-M159 PolarHBondContact O-N 3.49Å; G157-T160 PolarHBondContact O-N 3.24Å; G157-T160 PolarHBondContact O-OG1 2.86Å; G157-S161 PolarHBondContact O-N 3.09Å
158	W	79.7	Confident	63.8	Low	215 Å²	215	108.7 Å²	108.7	81%	0.814	58%	0.582	S	S	*	*	H	α-helix	trans	-42.9	-39.4	-178.5	173.3	-98.9	0	0	0	114.6	T160 S161 V162	W158-T160 PolarHBondContact O-N 3.12Å; W158-S161 PolarHBondContact O-N 3.28Å; W158-V162 HydrophobicContact CD2-CG2 4.06Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CH2-CG2 4.43Å; W158-V162 HydrophobicContact CZ2-CG2 3.78Å; W158-V162 WeakPolarHBondContact O-CG2 3.44Å; W158-V162 PolarHBondContact O-N 3.27Å
159	M	76.1	Confident	66.2	Low	163 Å²	163	100.8 Å²	100.8	80%	0.803	55%	0.549	S	S	*	.	H	α-helix	trans	-73.7	-21.2	-177.6	-166	163.3	62.8	0	0	114.6	G157 K163	G157-M159 PolarHBondContact O-N 3.49Å; M159-K163 VanDerWaalsContact O-CB 3.32Å; M159-K163 WeakPolarHBondContact O-CB 3.3Å; M159-K163 PolarHBondContact O-N 2.95Å
160	T	83.1	Confident	68.7	Low	65 Å²	65	93 Å²	93	40%	0.399	51%	0.514	S	S	.	.	H	α-helix	trans	-77.6	-46.5	166.2	47.9	0	0	0	0	110.1	V156 G157 W158 V162 K163 D164	V156-T160 WeakPolarHBondContact CG1-OG1 2.9Å; G157-T160 PolarHBondContact O-N 3.24Å; G157-T160 PolarHBondContact O-OG1 2.86Å; W158-T160 PolarHBondContact O-N 3.12Å; T160-V162 VanDerWaalsContact C-N 3.32Å; T160-V162 PolarHBondContact O-N 3.37Å; T160-K163 WeakPolarHBondContact O-CA 3.23Å; T160-K163 WeakPolarHBondContact O-CB 3.42Å; T160-K163 PolarHBondContact O-N 3.18Å; T160-D164 PolarHBondContact O-N 3.08Å
161	S	83.5	Confident	71.1	Confident	55 Å²	55	86 Å²	86	39%	0.385	49%	0.485	S	S	.	.	H	α-helix	trans	-56	-41.9	178.6	-49.8	0	0	0	0	113.4	G157 W158 W165	G157-S161 PolarHBondContact O-N 3.09Å; W158-S161 PolarHBondContact O-N 3.28Å; S161-W165 WeakPolarHBondContact O-CB 3.34Å; S161-W165 PolarHBondContact O-N 3.22Å
162	V	87.6	Confident	73.3	Confident	43 Å²	43	79.8 Å²	79.8	26%	0.261	45%	0.448	S	S	.	.	H	α-helix	trans	-69.7	-36.4	175.6	170.4	0	0	0	0	112.4	W158 T160 A166 I234	W158-V162 HydrophobicContact CD2-CG2 4.06Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CH2-CG2 4.43Å; W158-V162 HydrophobicContact CZ2-CG2 3.78Å; W158-V162 WeakPolarHBondContact O-CG2 3.44Å; W158-V162 PolarHBondContact O-N 3.27Å; T160-V162 VanDerWaalsContact C-N 3.32Å; T160-V162 PolarHBondContact O-N 3.37Å; V162-A166 WeakPolarHBondContact O-CB 3.45Å; V162-A166 PolarHBondContact O-N 3.04Å; V162-I234 HydrophobicContact CG1-CG2 4.01Å
163	K	88.5	Confident	75.8	Confident	57 Å²	57	79.7 Å²	79.7	25%	0.248	44%	0.438	C	S	.	.	H	α-helix	trans	-65.7	-44.1	175.3	175.3	-169.3	171.2	-127.3	0	111.2	M159 T160 A166 G167 A235 N237	M159-K163 VanDerWaalsContact O-CB 3.32Å; M159-K163 WeakPolarHBondContact O-CB 3.3Å; M159-K163 PolarHBondContact O-N 2.95Å; T160-K163 WeakPolarHBondContact O-CA 3.23Å; T160-K163 WeakPolarHBondContact O-CB 3.42Å; T160-K163 PolarHBondContact O-N 3.18Å; K163-A166 PolarHBondContact O-N 3.41Å; K163-G167 PolarHBondContact O-N 3.45Å; K163-A235 WeakPolarHBondContact CE-O 3.37Å; K163-N237 WeakPolarHBondContact CE-OD1 3.41Å; K163-N237 PolarHBondContact NZ-OD1 2.84Å
164	D	86.1	Confident	78.2	Confident	83 Å²	83	77.9 Å²	77.9	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-71	-38.7	-177.2	-59.6	-27.5	0	0	0	110.6	T160 G167 V168	T160-D164 PolarHBondContact O-N 3.08Å; D164-G167 PolarHBondContact O-N 2.99Å; D164-V168 WeakPolarHBondContact O-CB 3.45Å; D164-V168 WeakPolarHBondContact O-CG2 3.34Å; D164-V168 PolarHBondContact O-N 2.63Å
165	W	87.6	Confident	80.3	Confident	151 Å²	151	80.5 Å²	80.5	57%	0.572	42%	0.42	S	S	*	.	H	α-helix	trans	-56.7	-48.5	168.4	174.6	83.5	0	0	0	112.4	S161 G167 V168 M169 L231	S161-W165 WeakPolarHBondContact O-CB 3.34Å; S161-W165 PolarHBondContact O-N 3.22Å; W165-G167 VanDerWaalsContact C-N 3.34Å; W165-G167 PolarHBondContact O-N 3.14Å; W165-V168 PolarHBondContact O-N 3.28Å; W165-M169 HydrophobicContact CD2-SD 4.15Å; W165-M169 HydrophobicContact CE3-SD 4.31Å; W165-M169 HydrophobicContact CH2-SD 3.54Å; W165-M169 VanDerWaalsContact CH2-SD 3.54Å; W165-M169 HydrophobicContact CZ2-SD 3.33Å; W165-M169 WeakPolarHBondContact CZ2-SD 3.36Å; W165-M169 HydrophobicContact CZ3-SD 4.03Å; W165-M169 PolarHBondContact O-N 2.89Å; W165-M169 VanDerWaalsContact O-N 3.09Å; W165-L231 HydrophobicContact CH2-CD2 4.39Å; W165-L231 HydrophobicContact CZ3-CD2 3.95Å
166	A	86.6	Confident	82.4	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-40	176.3	0	0	0	0	0	111.8	V162 K163 V168 M169 I170 I234 A235	V162-A166 WeakPolarHBondContact O-CB 3.45Å; V162-A166 PolarHBondContact O-N 3.04Å; K163-A166 PolarHBondContact O-N 3.41Å; A166-V168 PolarHBondContact O-N 3.38Å; A166-M169 PolarHBondContact O-N 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.36Å; A166-I170 PolarHBondContact O-N 3.49Å; A166-I234 HydrophobicContact CB-CB 4.23Å; A166-I234 HydrophobicContact CB-CG2 3.72Å; A166-A235 HydrophobicContact CB-CB 4.03Å
167	G	84.9	Confident	83.9	Confident	27 Å²	27	70.7 Å²	70.7	28%	0.278	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-42.6	174.6	0	0	0	0	0	113	K163 D164 W165 M169 I170 S171	K163-G167 PolarHBondContact O-N 3.45Å; D164-G167 PolarHBondContact O-N 2.99Å; W165-G167 VanDerWaalsContact C-N 3.34Å; W165-G167 PolarHBondContact O-N 3.14Å; G167-M169 VanDerWaalsContact C-N 3.3Å; G167-M169 PolarHBondContact O-N 2.94Å; G167-I170 PolarHBondContact O-N 2.78Å; G167-S171 VanDerWaalsContact O-CB 3.26Å; G167-S171 WeakPolarHBondContact O-CB 3.34Å; G167-S171 PolarHBondContact O-N 2.83Å; G167-S171 PolarHBondContact O-OG 3.33Å; G167-S171 VanDerWaalsContact O-OG 3.12Å
168	V	86.7	Confident	84.5	Confident	61 Å²	61	73.7 Å²	73.7	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-70.6	-22.3	177	169.6	0	0	0	0	113.1	D164 W165 A166 T174	D164-V168 WeakPolarHBondContact O-CB 3.45Å; D164-V168 WeakPolarHBondContact O-CG2 3.34Å; D164-V168 PolarHBondContact O-N 2.63Å; W165-V168 PolarHBondContact O-N 3.28Å; A166-V168 PolarHBondContact O-N 3.38Å; V168-T174 HydrophobicContact CG1-CG2 3.49Å; V168-T174 VanDerWaalsContact CG1-CG2 3.49Å; V168-T174 PolarHBondContact O-OG1 2.98Å; V168-T174 VanDerWaalsContact O-OG1 3.12Å
169	M	86.3	Confident	84.9	Confident	35 Å²	35	67.1 Å²	67.1	17%	0.172	36%	0.355	C	S	.	.	H	α-helix	trans	-78.5	-41.7	168.6	-73	-173.3	63.5	0	0	112.7	W165 A166 G167 G177 L180 L231	W165-M169 HydrophobicContact CD2-SD 4.15Å; W165-M169 HydrophobicContact CE3-SD 4.31Å; W165-M169 HydrophobicContact CH2-SD 3.54Å; W165-M169 VanDerWaalsContact CH2-SD 3.54Å; W165-M169 HydrophobicContact CZ2-SD 3.33Å; W165-M169 WeakPolarHBondContact CZ2-SD 3.36Å; W165-M169 HydrophobicContact CZ3-SD 4.03Å; W165-M169 PolarHBondContact O-N 2.89Å; W165-M169 VanDerWaalsContact O-N 3.09Å; A166-M169 PolarHBondContact O-N 3.25Å; G167-M169 VanDerWaalsContact C-N 3.3Å; G167-M169 PolarHBondContact O-N 2.94Å; M169-G177 WeakPolarHBondContact O-CA 3.37Å; M169-L180 HydrophobicContact CB-CD2 4.48Å; M169-L180 HydrophobicContact CE-CD2 4.19Å; M169-L231 HydrophobicContact CE-CD1 4.24Å
170	I	84.9	Confident	85.6	Confident	33 Å²	33	60.3 Å²	60.3	17%	0.169	32%	0.322	C	S	.	.	H	α-helix	trans	-72.2	-35.5	-179.9	-62.9	-59.8	0	0	0	111.8	A166 G167 A172 L180 Y228 L231 R232 A235	A166-I170 WeakPolarHBondContact O-CG1 3.36Å; A166-I170 PolarHBondContact O-N 3.49Å; G167-I170 PolarHBondContact O-N 2.78Å; I170-A172 PolarHBondContact O-N 3.4Å; I170-A172 VanDerWaalsContact O-N 3.12Å; I170-L180 HydrophobicContact CD1-CD2 4.28Å; I170-Y228 HydrophobicContact CD1-CD2 3.99Å; I170-Y228 HydrophobicContact CD1-CE2 3.42Å; I170-Y228 VanDerWaalsContact CD1-CE2 3.42Å; I170-L231 HydrophobicContact CD1-CB 4.09Å; I170-R232 HydrophobicContact CD1-CG 3.76Å; I170-R232 HydrophobicContact CG1-CG 4.31Å; I170-A235 HydrophobicContact CG1-CB 4.46Å
171	S	78.4	Confident	85.7	Confident	37 Å²	37	57.4 Å²	57.4	26%	0.259	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	2.8	-174.6	68.5	0	0	0	0	116	G167 Q173	G167-S171 VanDerWaalsContact O-CB 3.26Å; G167-S171 WeakPolarHBondContact O-CB 3.34Å; G167-S171 PolarHBondContact O-N 2.83Å; G167-S171 PolarHBondContact O-OG 3.33Å; G167-S171 VanDerWaalsContact O-OG 3.12Å; S171-Q173 PolarHBondContact O-N 3.26Å; S171-Q173 VanDerWaalsContact OG-CD 3.25Å; S171-Q173 WeakPolarHBondContact OG-CG 3.31Å; S171-Q173 PolarHBondContact OG-OE1 3.47Å
172	A	78.3	Confident	85.9	Confident	3 Å²	3	58 Å²	58	3%	0.025	31%	0.305	C	S	.	.	S	Bend	trans	53.7	18.2	-178.8	0	0	0	0	0	115.6	I170 T174 R178 V181 F288	I170-A172 PolarHBondContact O-N 3.4Å; I170-A172 VanDerWaalsContact O-N 3.12Å; A172-T174 VanDerWaalsContact C-N 3.34Å; A172-R178 HydrophobicContact CB-CG 3.99Å; A172-R178 WeakPolarHBondContact O-CG 3.36Å; A172-R178 PolarHBondContact O-NE 2.87Å; A172-V181 HydrophobicContact CB-CG2 4.34Å; A172-F288 HydrophobicContact CB-CB 3.82Å; A172-F288 HydrophobicContact CB-CG 4.24Å
173	Q	81.5	Confident	86.1	Confident	139 Å²	139	59.6 Å²	59.6	65%	0.65	31%	0.312	S	S	*	.			trans	-68.7	-36.6	175.2	-70.4	171.4	-4.1	0	0	111.2	S171	S171-Q173 PolarHBondContact O-N 3.26Å; S171-Q173 VanDerWaalsContact OG-CD 3.25Å; S171-Q173 WeakPolarHBondContact OG-CG 3.31Å; S171-Q173 PolarHBondContact OG-OE1 3.47Å
174	T	87.3	Confident	86.1	Confident	44 Å²	44	57 Å²	57	27%	0.27	30%	0.301	S	S	.	.	S	Bend	trans	-88.9	154	176.2	51.8	0	0	0	0	112.5	V168 A172 T176 G177 R178	V168-T174 HydrophobicContact CG1-CG2 3.49Å; V168-T174 VanDerWaalsContact CG1-CG2 3.49Å; V168-T174 PolarHBondContact O-OG1 2.98Å; V168-T174 VanDerWaalsContact O-OG1 3.12Å; A172-T174 VanDerWaalsContact C-N 3.34Å; T174-T176 VanDerWaalsContact C-N 3.29Å; T174-T176 PolarHBondContact O-N 2.91Å; T174-T176 PolarHBondContact OG1-OG1 3.13Å; T174-G177 PolarHBondContact O-N 3.29Å; T174-G177 PolarHBondContact OG1-N 2.92Å; T174-G177 VanDerWaalsContact OG1-N 3.11Å; T174-R178 WeakPolarHBondContact O-CG 3.41Å; T174-R178 PolarHBondContact O-N 3.5Å
175	L	85.4	Confident	86.1	Confident	139 Å²	139	55.5 Å²	55.5	73%	0.728	29%	0.29	S	S	*	.	H	α-helix	trans	-58.8	-41.1	173.1	179.8	62.3	0	0	0	111.8	R178 V179	L175-R178 PolarHBondContact O-N 3.13Å; L175-V179 WeakPolarHBondContact O-CG2 3.4Å; L175-V179 PolarHBondContact O-N 3.43Å
176	T	88.3	Confident	86.3	Confident	92 Å²	92	50.9 Å²	50.9	56%	0.564	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-41.3	174.5	43.9	0	0	0	0	112.1	T174 V179 L180	T174-T176 VanDerWaalsContact C-N 3.29Å; T174-T176 PolarHBondContact O-N 2.91Å; T174-T176 PolarHBondContact OG1-OG1 3.13Å; T176-V179 PolarHBondContact O-N 2.97Å; T176-L180 WeakPolarHBondContact O-CB 3.4Å; T176-L180 PolarHBondContact O-N 2.83Å
177	G	87	Confident	86.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-40.1	172.9	0	0	0	0	0	113.4	M169 T174 L180 V181	M169-G177 WeakPolarHBondContact O-CA 3.37Å; T174-G177 PolarHBondContact O-N 3.29Å; T174-G177 PolarHBondContact OG1-N 2.92Å; T174-G177 VanDerWaalsContact OG1-N 3.11Å; G177-L180 WeakPolarHBondContact O-CB 3.42Å; G177-L180 PolarHBondContact O-N 2.61Å; G177-V181 WeakPolarHBondContact O-CB 3.43Å; G177-V181 WeakPolarHBondContact O-CG2 3.39Å; G177-V181 PolarHBondContact O-N 3.37Å
178	R	85.6	Confident	86.8	Confident	106 Å²	106	51.6 Å²	51.6	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-43.7	174.1	-68.7	175.8	-171.4	-171	1.9	112.2	A172 T174 L175 V181 V182 L289	A172-R178 HydrophobicContact CB-CG 3.99Å; A172-R178 WeakPolarHBondContact O-CG 3.36Å; A172-R178 PolarHBondContact O-NE 2.87Å; T174-R178 WeakPolarHBondContact O-CG 3.41Å; T174-R178 PolarHBondContact O-N 3.5Å; L175-R178 PolarHBondContact O-N 3.13Å; R178-V181 PolarHBondContact O-N 3.5Å; R178-V182 WeakPolarHBondContact O-CG2 3.48Å; R178-V182 PolarHBondContact O-N 3.08Å; R178-L289 HydrophobicContact CB-CD2 4.33Å; R178-L289 HydrophobicContact CG-CD2 4.48Å
179	V	89.1	Confident	87.1	Confident	76 Å²	76	51.9 Å²	51.9	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.5	172.4	0	0	0	0	110.8	L175 T176 V181 V182 L183	L175-V179 WeakPolarHBondContact O-CG2 3.4Å; L175-V179 PolarHBondContact O-N 3.43Å; T176-V179 PolarHBondContact O-N 2.97Å; V179-V181 PolarHBondContact O-N 3.49Å; V179-V182 PolarHBondContact O-N 3.47Å; V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4.43Å; V179-L183 WeakPolarHBondContact O-CB 3.48Å; V179-L183 VanDerWaalsContact O-CG 3.28Å; V179-L183 WeakPolarHBondContact O-CG 3.44Å; V179-L183 PolarHBondContact O-N 2.87Å
180	L	89.9	Confident	87.4	Confident	21 Å²	21	51.2 Å²	51.2	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-48.5	174.5	179	66.4	0	0	0	111.6	M169 I170 T176 G177 L183 V184 F224 Y228 L231	M169-L180 HydrophobicContact CB-CD2 4.48Å; M169-L180 HydrophobicContact CE-CD2 4.19Å; I170-L180 HydrophobicContact CD1-CD2 4.28Å; T176-L180 WeakPolarHBondContact O-CB 3.4Å; T176-L180 PolarHBondContact O-N 2.83Å; G177-L180 WeakPolarHBondContact O-CB 3.42Å; G177-L180 PolarHBondContact O-N 2.61Å; L180-L183 PolarHBondContact O-N 3.07Å; L180-V184 VanDerWaalsContact O-CG2 3.25Å; L180-V184 WeakPolarHBondContact O-CG2 3.28Å; L180-V184 PolarHBondContact O-N 3.47Å; L180-F224 HydrophobicContact CD1-CE2 4.27Å; L180-F224 HydrophobicContact CD1-CZ 3.92Å; L180-Y228 HydrophobicContact CD1-CD2 4.25Å; L180-Y228 HydrophobicContact CD2-CD2 4.2Å; L180-Y228 HydrophobicContact CD2-CE2 4.28Å; L180-Y228 HydrophobicContact CG-CD2 4.22Å; L180-Y228 HydrophobicContact CG-CE2 4.35Å; L180-L231 HydrophobicContact CD2-CD1 3.96Å
181	V	86.5	Confident	87.8	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-39.9	-179.4	165	0	0	0	0	112.4	A172 G177 R178 V179 V184 F185 I285	A172-V181 HydrophobicContact CB-CG2 4.34Å; G177-V181 WeakPolarHBondContact O-CB 3.43Å; G177-V181 WeakPolarHBondContact O-CG2 3.39Å; G177-V181 PolarHBondContact O-N 3.37Å; R178-V181 PolarHBondContact O-N 3.5Å; V179-V181 PolarHBondContact O-N 3.49Å; V181-V184 PolarHBondContact O-N 2.87Å; V181-F185 PolarHBondContact O-N 2.73Å; V181-F185 VanDerWaalsContact O-N 3.09Å; V181-I285 HydrophobicContact CG1-CB 4.27Å; V181-I285 HydrophobicContact CG1-CG1 3.98Å; V181-I285 HydrophobicContact CG1-CG2 3.79Å
182	V	87.8	Confident	88.5	Confident	67 Å²	67	48.3 Å²	48.3	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-40.9	173.1	170.8	0	0	0	0	111.5	R178 V179 F185 A186 L289	R178-V182 WeakPolarHBondContact O-CG2 3.48Å; R178-V182 PolarHBondContact O-N 3.08Å; V179-V182 PolarHBondContact O-N 3.47Å; V182-F185 PolarHBondContact O-N 3.04Å; V182-A186 WeakPolarHBondContact O-CB 3.23Å; V182-A186 PolarHBondContact O-N 2.94Å; V182-L289 HydrophobicContact CG2-CD1 3.78Å; V182-L289 HydrophobicContact CG2-CD2 3.78Å; V182-L289 HydrophobicContact CG2-CG 4.43Å
183	L	90.3	Very high	89.2	Confident	77 Å²	77	51.5 Å²	51.5	40%	0.403	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-45	176.3	-72.3	170.2	0	0	0	111.5	V179 L180 F185 A186 L187 F224	V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4.43Å; V179-L183 WeakPolarHBondContact O-CB 3.48Å; V179-L183 VanDerWaalsContact O-CG 3.28Å; V179-L183 WeakPolarHBondContact O-CG 3.44Å; V179-L183 PolarHBondContact O-N 2.87Å; L180-L183 PolarHBondContact O-N 3.07Å; L183-F185 VanDerWaalsContact C-N 3.26Å; L183-F185 PolarHBondContact O-N 3.18Å; L183-A186 PolarHBondContact O-N 3.19Å; L183-L187 HydrophobicContact CB-CD1 4.34Å; L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 WeakPolarHBondContact O-CD1 3.2Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.35Å; L183-F224 HydrophobicContact CB-CE2 4.25Å; L183-F224 HydrophobicContact CB-CZ 3.78Å
184	V	89.3	Confident	89.7	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-54.8	-43.2	174.4	170.4	0	0	0	0	111.4	L180 V181 S188 F224 Y228	L180-V184 VanDerWaalsContact O-CG2 3.25Å; L180-V184 WeakPolarHBondContact O-CG2 3.28Å; L180-V184 PolarHBondContact O-N 3.47Å; V181-V184 PolarHBondContact O-N 2.87Å; V184-S188 VanDerWaalsContact O-CB 3.22Å; V184-S188 WeakPolarHBondContact O-CB 3.34Å; V184-S188 PolarHBondContact O-N 2.66Å; V184-S188 PolarHBondContact O-OG 3.25Å; V184-F224 HydrophobicContact CB-CE1 4.39Å; V184-F224 HydrophobicContact CG2-CE1 3.64Å; V184-F224 HydrophobicContact CG2-CZ 3.95Å; V184-Y228 HydrophobicContact CB-CE1 4.45Å; V184-Y228 HydrophobicContact CG1-CD1 4.1Å; V184-Y228 HydrophobicContact CG1-CE1 3.7Å; V184-Y228 HydrophobicContact CG2-CD1 3.82Å; V184-Y228 HydrophobicContact CG2-CD2 3.48Å; V184-Y228 VanDerWaalsContact CG2-CD2 3.48Å; V184-Y228 HydrophobicContact CG2-CE1 3.87Å; V184-Y228 HydrophobicContact CG2-CE2 3.54Å; V184-Y228 HydrophobicContact CG2-CG 3.62Å
185	F	86.7	Confident	90	Very high	50 Å²	50	43.4 Å²	43.4	22%	0.219	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-54.8	177.4	179.3	-113.5	0	0	0	112.7	V181 V182 L183 L187 S188 I189 F282 I285	V181-F185 PolarHBondContact O-N 2.73Å; V181-F185 VanDerWaalsContact O-N 3.09Å; V182-F185 PolarHBondContact O-N 3.04Å; L183-F185 VanDerWaalsContact C-N 3.26Å; L183-F185 PolarHBondContact O-N 3.18Å; F185-L187 VanDerWaalsContact C-N 3.35Å; F185-L187 PolarHBondContact O-N 3.21Å; F185-S188 PolarHBondContact O-N 3.48Å; F185-S188 VanDerWaalsContact O-N 3.12Å; F185-I189 HydrophobicContact CE1-CD1 3.8Å; F185-I189 HydrophobicContact CE2-CD1 3.79Å; F185-I189 HydrophobicContact CE2-CG1 4.35Å; F185-I189 HydrophobicContact CZ-CD1 3.37Å; F185-I189 HydrophobicContact CZ-CG1 4.37Å; F185-I189 PolarHBondContact O-N 3.18Å; F185-I189 VanDerWaalsContact O-N 3.08Å; F185-F282 HydrophobicContact CD2-CD2 4.01Å; F185-F282 HydrophobicContact CE1-CD2 4.22Å; F185-F282 AromaticContact CE1-CE2 3.92Å; F185-F282 HydrophobicContact CE1-CE2 3.92Å; F185-F282 HydrophobicContact CE2-CB 4.13Å; F185-F282 AromaticContact CE2-CD2 3.16Å; F185-F282 HydrophobicContact CE2-CD2 3.16Å; F185-F282 AromaticContact CE2-CE2 3.66Å; F185-F282 HydrophobicContact CE2-CE2 3.66Å; F185-F282 AromaticContact CE2-CG 3.84Å; F185-F282 HydrophobicContact CE2-CG 3.84Å; F185-F282 AromaticContact CZ-CD2 3.28Å; F185-F282 HydrophobicContact CZ-CD2 3.28Å; F185-F282 AromaticContact CZ-CE2 3.2Å; F185-F282 HydrophobicContact CZ-CE2 3.2Å; F185-F282 HydrophobicContact CZ-CG 4.2Å; F185-F282 HydrophobicContact CZ-CZ 4.08Å; F185-I285 HydrophobicContact CB-CD1 4.17Å; F185-I285 HydrophobicContact CB-CG2 4.17Å; F185-I285 HydrophobicContact CD2-CD1 4.34Å; F185-I285 HydrophobicContact CG-CG2 4.37Å
186	A	90.6	Very high	90.4	Very high	54 Å²	54	38.9 Å²	38.9	45%	0.446	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-42.4	-177.6	0	0	0	0	0	112.2	V182 L183 S188 I189 G190	V182-A186 WeakPolarHBondContact O-CB 3.23Å; V182-A186 PolarHBondContact O-N 2.94Å; L183-A186 PolarHBondContact O-N 3.19Å; A186-S188 VanDerWaalsContact C-N 3.34Å; A186-I189 PolarHBondContact O-N 3.07Å; A186-G190 PolarHBondContact O-N 2.93Å
187	L	92.9	Very high	90.5	Very high	35 Å²	35	38.8 Å²	38.8	18%	0.183	21%	0.213	C	C	.	.	H	α-helix	trans	-71.1	-28.6	177.4	-61.6	170.6	0	0	0	111.9	L183 F185 G190 A191 F221 F224 F225	L183-L187 HydrophobicContact CB-CD1 4.34Å; L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 WeakPolarHBondContact O-CD1 3.2Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.35Å; F185-L187 VanDerWaalsContact C-N 3.35Å; F185-L187 PolarHBondContact O-N 3.21Å; L187-G190 PolarHBondContact O-N 3.5Å; L187-A191 WeakPolarHBondContact O-CB 3.14Å; L187-A191 PolarHBondContact O-N 3.18Å; L187-F221 HydrophobicContact CD2-CD1 3.63Å; L187-F221 HydrophobicContact CD2-CE1 3.39Å; L187-F221 HydrophobicContact CD2-CG 4.38Å; L187-F221 HydrophobicContact CD2-CZ 3.99Å; L187-F224 HydrophobicContact CD1-CB 4.33Å; L187-F224 HydrophobicContact CD1-CD1 3.46Å; L187-F224 VanDerWaalsContact CD1-CD1 3.46Å; L187-F224 HydrophobicContact CD1-CD2 3.98Å; L187-F224 HydrophobicContact CD1-CE1 3.63Å; L187-F224 HydrophobicContact CD1-CE2 4.11Å; L187-F224 HydrophobicContact CD1-CG 3.65Å; L187-F224 HydrophobicContact CD1-CZ 3.95Å; L187-F225 HydrophobicContact CB-CE1 4.45Å; L187-F225 HydrophobicContact CB-CZ 3.98Å
188	S	90.8	Very high	90.5	Very high	8 Å²	8	39.2 Å²	39.2	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-69.8	-39.8	174.5	-66.4	0	0	0	0	111.9	V184 F185 A186 L192 F225 R278	V184-S188 VanDerWaalsContact O-CB 3.22Å; V184-S188 WeakPolarHBondContact O-CB 3.34Å; V184-S188 PolarHBondContact O-N 2.66Å; V184-S188 PolarHBondContact O-OG 3.25Å; F185-S188 PolarHBondContact O-N 3.48Å; F185-S188 VanDerWaalsContact O-N 3.12Å; A186-S188 VanDerWaalsContact C-N 3.34Å; S188-L192 WeakPolarHBondContact O-CB 3.48Å; S188-L192 PolarHBondContact O-N 3.22Å; S188-L192 VanDerWaalsContact O-N 3.1Å; S188-F225 WeakPolarHBondContact OG-CE1 3.48Å; S188-R278 WeakPolarHBondContact OG-CD 3.37Å
189	I	92.3	Very high	90.7	Very high	67 Å²	67	34.5 Å²	34.5	34%	0.344	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-45.4	169.4	-68.1	178.7	0	0	0	110.1	F185 A186 A191 L192 V193 L279	F185-I189 HydrophobicContact CE1-CD1 3.8Å; F185-I189 HydrophobicContact CE2-CD1 3.79Å; F185-I189 HydrophobicContact CE2-CG1 4.35Å; F185-I189 HydrophobicContact CZ-CD1 3.37Å; F185-I189 HydrophobicContact CZ-CG1 4.37Å; F185-I189 PolarHBondContact O-N 3.18Å; F185-I189 VanDerWaalsContact O-N 3.08Å; A186-I189 PolarHBondContact O-N 3.07Å; I189-A191 PolarHBondContact O-N 2.95Å; I189-L192 WeakPolarHBondContact O-CB 3.3Å; I189-L192 PolarHBondContact O-N 3.04Å; I189-L192 VanDerWaalsContact O-N 3.12Å; I189-V193 HydrophobicContact CG2-CG2 4.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.24Å; I189-V193 PolarHBondContact O-N 2.86Å; I189-L279 HydrophobicContact CG1-CD2 4.29Å
190	G	93.2	Very high	90.6	Very high	20 Å²	20	35.6 Å²	35.6	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-56.1	-46.1	176.1	0	0	0	0	0	113.2	A186 L187 L192 V193 I194	A186-G190 PolarHBondContact O-N 2.93Å; L187-G190 PolarHBondContact O-N 3.5Å; G190-L192 VanDerWaalsContact C-N 3.29Å; G190-L192 PolarHBondContact O-N 2.89Å; G190-V193 PolarHBondContact O-N 3.28Å; G190-I194 WeakPolarHBondContact O-CG1 3.29Å; G190-I194 PolarHBondContact O-N 3.41Å
191	A	92.1	Very high	90.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-26.4	178	0	0	0	0	0	113.4	L187 I189 Y195 F221 F225 R275	L187-A191 WeakPolarHBondContact O-CB 3.14Å; L187-A191 PolarHBondContact O-N 3.18Å; I189-A191 PolarHBondContact O-N 2.95Å; A191-Y195 PolarHBondContact O-N 2.66Å; A191-F221 HydrophobicContact CB-CD2 4.05Å; A191-F225 HydrophobicContact CB-CE2 3.93Å; A191-F225 HydrophobicContact CB-CZ 4.4Å; A191-R275 VanDerWaalsContact O-CD 3.23Å; A191-R275 WeakPolarHBondContact O-CD 3.33Å; A191-R275 PolarHBondContact O-NH1 2.77Å
192	L	93.3	Very high	89.9	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.052	25%	0.25	C	S	.	.	H	α-helix	trans	-77.5	-39.1	172.2	-179.6	61.4	0	0	0	111.9	S188 I189 G190 I194 Y195 F196 A276 L279	S188-L192 WeakPolarHBondContact O-CB 3.48Å; S188-L192 PolarHBondContact O-N 3.22Å; S188-L192 VanDerWaalsContact O-N 3.1Å; I189-L192 WeakPolarHBondContact O-CB 3.3Å; I189-L192 PolarHBondContact O-N 3.04Å; I189-L192 VanDerWaalsContact O-N 3.12Å; G190-L192 VanDerWaalsContact C-N 3.29Å; G190-L192 PolarHBondContact O-N 2.89Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-Y195 HydrophobicContact CD1-CD1 4.08Å; L192-Y195 WeakPolarHBondContact O-CB 3.18Å; L192-Y195 PolarHBondContact O-N 3.39Å; L192-Y195 VanDerWaalsContact O-N 3.13Å; L192-F196 HydrophobicContact CD1-CE1 3.79Å; L192-F196 HydrophobicContact CD1-CE2 4.45Å; L192-F196 HydrophobicContact CD1-CZ 3.76Å; L192-F196 HydrophobicContact CD2-CE2 4.31Å; L192-F196 HydrophobicContact CD2-CZ 3.95Å; L192-F196 HydrophobicContact CG-CE1 4.12Å; L192-F196 HydrophobicContact CG-CE2 3.88Å; L192-F196 HydrophobicContact CG-CZ 3.61Å; L192-F196 WeakPolarHBondContact O-CG 3.5Å; L192-F196 PolarHBondContact O-N 3.01Å; L192-A276 HydrophobicContact CD1-CB 3.84Å; L192-A276 HydrophobicContact CD2-CB 4.34Å; L192-L279 HydrophobicContact CD2-CD1 3.87Å; L192-L279 HydrophobicContact CD2-CG 4.3Å
193	V	93.5	Very high	89.5	Confident	69 Å²	69	40.6 Å²	40.6	42%	0.418	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-39.5	172.7	171.4	0	0	0	0	111	I189 G190 Y195 F196 I197	I189-V193 HydrophobicContact CG2-CG2 4.31Å; I189-V193 WeakPolarHBondContact O-CG2 3.24Å; I189-V193 PolarHBondContact O-N 2.86Å; G190-V193 PolarHBondContact O-N 3.28Å; V193-Y195 VanDerWaalsContact C-N 3.32Å; V193-Y195 PolarHBondContact O-N 3.01Å; V193-F196 PolarHBondContact O-N 3.32Å; V193-F196 VanDerWaalsContact O-N 3.15Å; V193-I197 HydrophobicContact CG1-CD1 4.2Å; V193-I197 WeakPolarHBondContact O-CG1 3.33Å; V193-I197 PolarHBondContact O-N 3.36Å
194	I	92.1	Very high	89	Confident	13 Å²	13	38.7 Å²	38.7	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-44.5	170.1	-73.6	170.1	0	0	0	110.9	G190 L192 F196 I197 D198 T214 I217 D218 F221	G190-I194 WeakPolarHBondContact O-CG1 3.29Å; G190-I194 PolarHBondContact O-N 3.41Å; L192-I194 VanDerWaalsContact C-N 3.33Å; I194-F196 VanDerWaalsContact C-N 3.33Å; I194-F196 PolarHBondContact O-N 3.01Å; I194-I197 PolarHBondContact O-N 3.29Å; I194-D198 WeakPolarHBondContact O-CB 3.47Å; I194-D198 PolarHBondContact O-N 3.44Å; I194-T214 HydrophobicContact CG2-CG2 4.03Å; I194-I217 HydrophobicContact CD1-CB 4.29Å; I194-I217 HydrophobicContact CD1-CG2 3.74Å; I194-D218 HydrophobicContact CD1-CB 4.34Å; I194-D218 HydrophobicContact CG2-CB 4.24Å; I194-F221 HydrophobicContact CD1-CD2 3.74Å; I194-F221 HydrophobicContact CD1-CE2 3.58Å
195	Y	92.6	Very high	88.5	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-39.2	174.5	165.6	-103.8	0	0	0	112.6	A191 L192 V193 D198 S199 L269 R272 F273 Y339	A191-Y195 PolarHBondContact O-N 2.66Å; L192-Y195 HydrophobicContact CD1-CD1 4.08Å; L192-Y195 WeakPolarHBondContact O-CB 3.18Å; L192-Y195 PolarHBondContact O-N 3.39Å; L192-Y195 VanDerWaalsContact O-N 3.13Å; V193-Y195 VanDerWaalsContact C-N 3.32Å; V193-Y195 PolarHBondContact O-N 3.01Å; Y195-D198 PolarHBondContact O-N 3.03Å; Y195-S199 VanDerWaalsContact O-CB 3.3Å; Y195-S199 WeakPolarHBondContact O-CB 3.16Å; Y195-S199 PolarHBondContact O-N 3.19Å; Y195-L269 HydrophobicContact CD2-CD1 3.79Å; Y195-L269 HydrophobicContact CE2-CD1 3.65Å; Y195-L269 HydrophobicContact CE2-CD2 4.4Å; Y195-L269 HydrophobicContact CE2-CG 3.97Å; Y195-R272 HydrophobicContact CD2-CB 3.51Å; Y195-R272 HydrophobicContact CE2-CB 4.21Å; Y195-R272 HydrophobicContact CG-CB 4.26Å; Y195-F273 HydrophobicContact CE1-CB 3.83Å; Y195-F273 HydrophobicContact CE2-CB 3.99Å; Y195-Y339 HydrophobicContact CE1-CD2 4.03Å; Y195-Y339 AromaticContact CE1-CE2 3.68Å; Y195-Y339 HydrophobicContact CE1-CE2 3.68Å; Y195-Y339 VanDerWaalsContact OH-CD2 3.31Å; Y195-Y339 WeakPolarHBondContact OH-CD2 3.19Å; Y195-Y339 WeakPolarHBondContact OH-CE2 3.11Å
196	F	93.8	Very high	88.1	Confident	43 Å²	43	41.3 Å²	41.3	19%	0.189	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-38.8	175.8	-60.9	-30.6	0	0	0	112.5	L192 V193 I194 S199 L312 Y339 W340	L192-F196 HydrophobicContact CD1-CE1 3.79Å; L192-F196 HydrophobicContact CD1-CE2 4.45Å; L192-F196 HydrophobicContact CD1-CZ 3.76Å; L192-F196 HydrophobicContact CD2-CE2 4.31Å; L192-F196 HydrophobicContact CD2-CZ 3.95Å; L192-F196 HydrophobicContact CG-CE1 4.12Å; L192-F196 HydrophobicContact CG-CE2 3.88Å; L192-F196 HydrophobicContact CG-CZ 3.61Å; L192-F196 WeakPolarHBondContact O-CG 3.5Å; L192-F196 PolarHBondContact O-N 3.01Å; V193-F196 PolarHBondContact O-N 3.32Å; V193-F196 VanDerWaalsContact O-N 3.15Å; I194-F196 VanDerWaalsContact C-N 3.33Å; I194-F196 PolarHBondContact O-N 3.01Å; F196-S199 PolarHBondContact O-N 3.14Å; F196-S199 PolarHBondContact O-OG 2.74Å; F196-L312 HydrophobicContact CZ-CD1 4.38Å; F196-Y339 AromaticContact CD1-CD1 3.99Å; F196-Y339 HydrophobicContact CD1-CD1 3.99Å; F196-Y339 AromaticContact CD1-CE1 3.61Å; F196-Y339 HydrophobicContact CD1-CE1 3.61Å; F196-Y339 HydrophobicContact CE1-CD1 4.23Å; F196-Y339 AromaticContact CE1-CE1 3.38Å; F196-Y339 HydrophobicContact CE1-CE1 3.38Å; F196-Y339 AromaticContact CE1-CZ 3.75Å; F196-Y339 HydrophobicContact CZ-CE1 4.37Å; F196-W340 HydrophobicContact CB-CZ2 4.08Å; F196-W340 HydrophobicContact CD1-CH2 4.11Å; F196-W340 HydrophobicContact CD1-CZ2 4.34Å; F196-W340 HydrophobicContact CD2-CH2 4.01Å; F196-W340 HydrophobicContact CD2-CZ2 4.31Å; F196-W340 HydrophobicContact CE1-CH2 4.28Å; F196-W340 HydrophobicContact CE2-CH2 4.17Å; F196-W340 AromaticContact CG-CH2 3.99Å; F196-W340 HydrophobicContact CG-CH2 3.99Å; F196-W340 HydrophobicContact CG-CZ2 4.01Å; F196-W340 HydrophobicContact CZ-CH2 4.3Å
197	I	90.5	Very high	87.3	Confident	91 Å²	91	39.9 Å²	39.9	47%	0.467	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-53	172.7	-64.7	164.4	0	0	0	109.9	V193 I194 S199 S200	V193-I197 HydrophobicContact CG1-CD1 4.2Å; V193-I197 WeakPolarHBondContact O-CG1 3.33Å; V193-I197 PolarHBondContact O-N 3.36Å; I194-I197 PolarHBondContact O-N 3.29Å; I197-S199 PolarHBondContact O-N 3.21Å; I197-S200 PolarHBondContact O-N 3.26Å; I197-S200 PolarHBondContact O-OG 3.29Å
198	D	88.7	Confident	86.6	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-56.2	-32.3	176.9	-78.4	-19.7	0	0	0	112.8	I194 Y195 S200 N201 L269 R272	I194-D198 WeakPolarHBondContact O-CB 3.47Å; I194-D198 PolarHBondContact O-N 3.44Å; Y195-D198 PolarHBondContact O-N 3.03Å; D198-S200 PolarHBondContact O-N 3.43Å; D198-S200 VanDerWaalsContact O-N 3.15Å; D198-N201 WeakPolarHBondContact O-CB 3.34Å; D198-N201 PolarHBondContact O-N 2.97Å; D198-L269 HydrophobicContact CB-CD1 3.73Å; D198-R272 IonicContact OD2-CZ 2.72Å; D198-R272 IonicContact OD2-NE 3.69Å; D198-R272 IonicContact OD2-NH1 3.74Å; D198-R272 PolarHBondContact OD2-NH1 3.39Å
199	S	89.7	Confident	86	Confident	8 Å²	8	43.8 Å²	43.8	6%	0.056	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.5	-177.5	77	0	0	0	0	114.6	Y195 F196 I197 Y339	Y195-S199 VanDerWaalsContact O-CB 3.3Å; Y195-S199 WeakPolarHBondContact O-CB 3.16Å; Y195-S199 PolarHBondContact O-N 3.19Å; F196-S199 PolarHBondContact O-N 3.14Å; F196-S199 PolarHBondContact O-OG 2.74Å; I197-S199 PolarHBondContact O-N 3.21Å; S199-Y339 WeakPolarHBondContact OG-CB 3.28Å
200	S	86.6	Confident	85.1	Confident	99 Å²	99	49.7 Å²	49.7	69%	0.692	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.4	171.2	67.9	0	0	0	0	114.1	I197 D198	I197-S200 PolarHBondContact O-N 3.26Å; I197-S200 PolarHBondContact O-OG 3.29Å; D198-S200 PolarHBondContact O-N 3.43Å; D198-S200 VanDerWaalsContact O-N 3.15Å
201	N	83.3	Confident	84.3	Confident	68 Å²	68	57.7 Å²	57.7	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-90.7	159.4	178.1	-67.2	-53.1	0	0	0	111.5	D198	D198-N201 WeakPolarHBondContact O-CB 3.34Å; D198-N201 PolarHBondContact O-N 2.97Å
202	P	78.9	Confident	83.9	Confident	95 Å²	95	59.2 Å²	59.2	62%	0.617	31%	0.31	S	S	*	.			trans	-55.8	145.1	171.1	-25.2	35.1	0	0	0	113.1	E204	P202-E204 PolarHBondContact O-N 2.81Å
203	I	78.4	Confident	83.5	Confident	32 Å²	32	65.5 Å²	65.5	16%	0.164	34%	0.338	C	S	.	.	S	Bend	trans	-50.7	-32.4	-172.9	-61.8	-61.3	0	0	0	114.4	W268 L269 L320 N323	I203-W268 WeakPolarHBondContact O-CA 3.38Å; I203-W268 VanDerWaalsContact O-CD1 3.27Å; I203-L269 HydrophobicContact CD1-CB 4.47Å; I203-L269 HydrophobicContact CD1-CD2 3.86Å; I203-L269 PolarHBondContact O-N 3.12Å; I203-L320 HydrophobicContact CG2-CD1 4.35Å; I203-N323 HydrophobicContact CD1-CB 3.8Å; I203-N323 HydrophobicContact CG1-CB 3.93Å
204	E	79.4	Confident	83.1	Confident	38 Å²	38	64.1 Å²	64.1	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.1	173.5	-169.3	175.9	159.6	0	0	108.9	R85 M86 W87 P202 R266 S267	R85-E204 VanDerWaalsContact CA-OE2 3.29Å; R85-E204 WeakPolarHBondContact CA-OE2 2.77Å; R85-E204 VanDerWaalsContact CB-OE2 3.3Å; R85-E204 WeakPolarHBondContact CB-OE2 3.35Å; M86-E204 VanDerWaalsContact N-CD 3.35Å; M86-E204 PolarHBondContact N-OE1 2.84Å; M86-E204 PolarHBondContact N-OE2 3.29Å; M86-E204 VanDerWaalsContact N-OE2 3.08Å; W87-E204 PolarHBondContact N-OE2 2.86Å; P202-E204 PolarHBondContact O-N 2.81Å; E204-R266 HydrophobicContact CG-CG 4.23Å; E204-R266 WeakPolarHBondContact OE1-CD 3.37Å; E204-R266 IonicContact OE1-CZ 2.62Å; E204-R266 IonicContact OE1-NE 2.89Å; E204-R266 IonicContact OE1-NH1 2.77Å; E204-R266 PolarHBondContact OE1-NH1 3.06Å; E204-S267 WeakPolarHBondContact CA-O 3.37Å
205	S	79	Confident	82.8	Confident	29 Å²	29	63.6 Å²	63.6	20%	0.203	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.2	-175.3	65.8	0	0	0	0	112.6	R266 S267	S205-R266 CarbonylContact O-C 3.55Å; S205-R266 WeakPolarHBondContact O-CA 3.43Å; S205-R266 WeakPolarHBondContact O-CG 3.26Å; S205-S267 PolarHBondContact N-O 2.92Å; S205-S267 PolarHBondContact O-N 3.38Å
206	C	78.1	Confident	82.5	Confident	80 Å²	80	66.7 Å²	66.7	54%	0.541	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.9	-178.2	-60.2	0	0	0	0	110.4	C79	C79-C206 HydrophobicContact CB-CB 3.77Å; C79-C206 WeakPolarHBondContact CB-SG 3.42Å; C79-C206 WeakPolarHBondContact SG-CB 3.32Å; C79-C206 CovalentContact SG-SG 2.03Å; C79-C206 PolarHBondContact SG-SG 3.34Å
207	Q	74.4	Confident	82.4	Confident	23 Å²	23	67.2 Å²	67.2	11%	0.107	35%	0.346	C	S	.	.			trans	-127.4	109.5	-175.4	-73.9	177.7	-17.8	0	0	108.9	F209 D212 L215 N265	Q207-F209 PolarHBondContact O-N 2.89Å; Q207-D212 HydrophobicContact CB-CB 4.36Å; Q207-D212 WeakPolarHBondContact CG-OD2 3.25Å; Q207-D212 PolarHBondContact NE2-OD2 3.45Å; Q207-L215 HydrophobicContact CB-CD2 4.45Å; Q207-N265 CarbonylContact C-O 3.56Å; Q207-N265 PolarHBondContact N-O 2.87Å; Q207-N265 CarbonylContact O-C 3.53Å; Q207-N265 VanDerWaalsContact O-C 3.29Å; Q207-N265 VanDerWaalsContact O-O 3.1Å
208	N	77.9	Confident	82.4	Confident	77 Å²	77	62.9 Å²	62.9	41%	0.412	32%	0.323	S	S	.	.			trans	-72.2	121.8	175.7	178.8	67.8	0	0	0	109.9	Y210 K211 D212	N208-Y210 PolarHBondContact O-N 3.26Å; N208-K211 PolarHBondContact O-N 2.82Å; N208-D212 PolarHBondContact O-N 2.84Å
209	F	77.8	Confident	82.4	Confident	49 Å²	49	63.7 Å²	63.7	22%	0.215	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.7	-170.4	179.7	-110	0	0	0	114.2	Q207 K211 L215 Q216 M219 V262 N265	Q207-F209 PolarHBondContact O-N 2.89Å; F209-K211 VanDerWaalsContact C-N 3.29Å; F209-K211 PolarHBondContact O-N 2.9Å; F209-L215 HydrophobicContact CD2-CD2 4.18Å; F209-L215 HydrophobicContact CD2-CG 4.13Å; F209-Q216 HydrophobicContact CD2-CG 4.43Å; F209-Q216 HydrophobicContact CE2-CG 4.02Å; F209-Q216 HydrophobicContact CZ-CG 4.14Å; F209-Q216 WeakPolarHBondContact O-CG 3.22Å; F209-Q216 PolarHBondContact O-NE2 2.85Å; F209-M219 HydrophobicContact CE2-CB 4.21Å; F209-M219 HydrophobicContact CE2-CG 4.43Å; F209-V262 HydrophobicContact CB-CG1 4.37Å; F209-V262 HydrophobicContact CD1-CG1 4.39Å; F209-V262 HydrophobicContact CD2-CB 4.31Å; F209-V262 HydrophobicContact CD2-CG1 3.79Å; F209-V262 HydrophobicContact CD2-CG2 3.57Å; F209-V262 HydrophobicContact CE2-CG1 4.14Å; F209-V262 HydrophobicContact CE2-CG2 3.78Å; F209-V262 HydrophobicContact CG-CG1 3.92Å; F209-V262 HydrophobicContact CG-CG2 4.47Å; F209-N265 PolarHBondContact N-OD1 3.02Å
210	Y	74	Confident	82.5	Confident	191 Å²	191	66.2 Å²	66.2	75%	0.749	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.7	179.6	-61.4	-77.3	0	0	0	115	N208	N208-Y210 PolarHBondContact O-N 3.26Å
211	K	76.6	Confident	82.8	Confident	187 Å²	187	63.3 Å²	63.3	81%	0.813	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-25.9	-179.1	-72.2	-175.2	177.2	178.8	0	113.8	N208 F209	N208-K211 PolarHBondContact O-N 2.82Å; F209-K211 VanDerWaalsContact C-N 3.29Å; F209-K211 PolarHBondContact O-N 2.9Å
212	D	82.5	Confident	83.3	Confident	32 Å²	32	60 Å²	60	17%	0.171	31%	0.306	C	S	.	.			trans	-98.1	107.1	-179.3	-159.4	-36	0	0	0	112	Q207 N208 T214 L215 Q216	Q207-D212 HydrophobicContact CB-CB 4.36Å; Q207-D212 WeakPolarHBondContact CG-OD2 3.25Å; Q207-D212 PolarHBondContact NE2-OD2 3.45Å; N208-D212 PolarHBondContact O-N 2.84Å; D212-T214 PolarHBondContact O-N 3.06Å; D212-T214 WeakPolarHBondContact OD1-CA 3.43Å; D212-T214 WeakPolarHBondContact OD1-CB 3.29Å; D212-T214 PolarHBondContact OD1-N 3.43Å; D212-T214 PolarHBondContact OD1-OG1 3.18Å; D212-L215 HydrophobicContact CB-CB 4.24Å; D212-L215 PolarHBondContact O-N 2.92Å; D212-Q216 WeakPolarHBondContact O-CG 3.22Å; D212-Q216 PolarHBondContact O-N 3.22Å
213	F	85.6	Confident	84	Confident	143 Å²	143	58.4 Å²	58.4	63%	0.627	29%	0.294	S	S	*	.	H	α-helix	trans	-66.3	-27.5	177.8	-168	-121.9	0	0	0	112.6	Q216 I217	F213-Q216 PolarHBondContact O-N 2.6Å; F213-I217 HydrophobicContact CD1-CD1 3.84Å; F213-I217 HydrophobicContact CE1-CD1 3.54Å; F213-I217 HydrophobicContact CE1-CG1 4.41Å; F213-I217 HydrophobicContact CG-CD1 4.48Å; F213-I217 HydrophobicContact CZ-CD1 3.93Å; F213-I217 HydrophobicContact CZ-CG1 4.42Å; F213-I217 WeakPolarHBondContact O-CG1 3.49Å; F213-I217 PolarHBondContact O-N 3.38Å
214	T	86.1	Confident	84.7	Confident	39 Å²	39	59 Å²	59	24%	0.239	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-47.4	177.5	-32.6	0	0	0	0	110.3	I194 D212 Q216 I217 D218	I194-T214 HydrophobicContact CG2-CG2 4.03Å; D212-T214 PolarHBondContact O-N 3.06Å; D212-T214 WeakPolarHBondContact OD1-CA 3.43Å; D212-T214 WeakPolarHBondContact OD1-CB 3.29Å; D212-T214 PolarHBondContact OD1-N 3.43Å; D212-T214 PolarHBondContact OD1-OG1 3.18Å; T214-Q216 VanDerWaalsContact C-N 3.33Å; T214-Q216 PolarHBondContact O-N 3.26Å; T214-I217 PolarHBondContact O-N 3.03Å; T214-D218 WeakPolarHBondContact O-CB 3.38Å; T214-D218 PolarHBondContact O-N 3.49Å
215	L	84.6	Confident	85.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-30.8	178.9	-173.6	60.1	0	0	0	112.3	Q207 F209 D212 M219 V262	Q207-L215 HydrophobicContact CB-CD2 4.45Å; F209-L215 HydrophobicContact CD2-CD2 4.18Å; F209-L215 HydrophobicContact CD2-CG 4.13Å; D212-L215 HydrophobicContact CB-CB 4.24Å; D212-L215 PolarHBondContact O-N 2.92Å; L215-M219 VanDerWaalsContact O-CB 3.3Å; L215-M219 WeakPolarHBondContact O-CB 3.18Å; L215-M219 PolarHBondContact O-N 3.11Å; L215-V262 HydrophobicContact CD1-CG2 4.19Å; L215-V262 HydrophobicContact CD2-CG2 4.19Å; L215-V262 HydrophobicContact CG-CG2 4.07Å
216	Q	87.6	Confident	86.1	Confident	66 Å²	66	60 Å²	60	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-67.1	-45.7	173.9	-68.7	170.2	17.4	0	0	112	F209 D212 F213 T214 M219 A220	F209-Q216 HydrophobicContact CD2-CG 4.43Å; F209-Q216 HydrophobicContact CE2-CG 4.02Å; F209-Q216 HydrophobicContact CZ-CG 4.14Å; F209-Q216 WeakPolarHBondContact O-CG 3.22Å; F209-Q216 PolarHBondContact O-NE2 2.85Å; D212-Q216 WeakPolarHBondContact O-CG 3.22Å; D212-Q216 PolarHBondContact O-N 3.22Å; F213-Q216 PolarHBondContact O-N 2.6Å; T214-Q216 VanDerWaalsContact C-N 3.33Å; T214-Q216 PolarHBondContact O-N 3.26Å; Q216-M219 PolarHBondContact O-N 2.72Å; Q216-A220 PolarHBondContact O-N 3.38Å; Q216-A220 VanDerWaalsContact O-N 3.11Å
217	I	90.3	Very high	86.8	Confident	55 Å²	55	61.8 Å²	61.8	28%	0.282	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-43.3	175	-64.6	173.8	0	0	0	110.5	I194 F213 T214 M219 A220 F221	I194-I217 HydrophobicContact CD1-CB 4.29Å; I194-I217 HydrophobicContact CD1-CG2 3.74Å; F213-I217 HydrophobicContact CD1-CD1 3.84Å; F213-I217 HydrophobicContact CE1-CD1 3.54Å; F213-I217 HydrophobicContact CE1-CG1 4.41Å; F213-I217 HydrophobicContact CG-CD1 4.48Å; F213-I217 HydrophobicContact CZ-CD1 3.93Å; F213-I217 HydrophobicContact CZ-CG1 4.42Å; F213-I217 WeakPolarHBondContact O-CG1 3.49Å; F213-I217 PolarHBondContact O-N 3.38Å; T214-I217 PolarHBondContact O-N 3.03Å; I217-M219 VanDerWaalsContact C-N 3.31Å; I217-M219 PolarHBondContact O-N 2.67Å; I217-A220 WeakPolarHBondContact O-CB 3.5Å; I217-A220 PolarHBondContact O-N 3.23Å; I217-A220 VanDerWaalsContact O-N 3.13Å; I217-F221 HydrophobicContact CG2-CD1 4.03Å; I217-F221 HydrophobicContact CG2-CD2 4.12Å; I217-F221 HydrophobicContact CG2-CE1 3.53Å; I217-F221 HydrophobicContact CG2-CE2 3.63Å; I217-F221 HydrophobicContact CG2-CG 4.32Å; I217-F221 HydrophobicContact CG2-CZ 3.32Å; I217-F221 WeakPolarHBondContact O-CD1 3.19Å; I217-F221 WeakPolarHBondContact O-CG 3.48Å; I217-F221 PolarHBondContact O-N 3.07Å
218	D	89.9	Confident	87.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-39.3	178.9	-160.1	38.4	0	0	0	111.5	I194 T214 F221 N222 V258 R272 R275	I194-D218 HydrophobicContact CD1-CB 4.34Å; I194-D218 HydrophobicContact CG2-CB 4.24Å; T214-D218 WeakPolarHBondContact O-CB 3.38Å; T214-D218 PolarHBondContact O-N 3.49Å; D218-F221 PolarHBondContact O-N 3.38Å; D218-N222 WeakPolarHBondContact O-CB 3.24Å; D218-N222 PolarHBondContact O-N 3.48Å; D218-N222 PolarHBondContact O-ND2 3.25Å; D218-N222 PolarHBondContact OD1-ND2 2.69Å; D218-V258 WeakPolarHBondContact OD2-CG2 3.15Å; D218-R272 IonicContact OD2-CZ 2.69Å; D218-R272 IonicContact OD2-NH1 2.73Å; D218-R272 PolarHBondContact OD2-NH1 3.49Å; D218-R272 IonicContact OD2-NH2 2.63Å; D218-R275 VanDerWaalsContact CG-NH2 3.28Å; D218-R275 IonicContact OD1-CZ 3.29Å; D218-R275 IonicContact OD1-NH1 3.45Å; D218-R275 PolarHBondContact OD1-NH1 2.73Å; D218-R275 IonicContact OD1-NH2 2.99Å; D218-R275 PolarHBondContact OD1-NH2 3.48Å; D218-R275 IonicContact OD2-CZ 2.73Å; D218-R275 IonicContact OD2-NH1 2.85Å; D218-R275 IonicContact OD2-NH2 2.71Å; D218-R275 PolarHBondContact OD2-NH2 3.39Å
219	M	89.1	Confident	88.3	Confident	25 Å²	25	59.2 Å²	59.2	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-47.9	171.7	177.8	51.5	68.5	0	0	111.7	F209 L215 Q216 I217 F221 N222 V223 V258 F259 V262	F209-M219 HydrophobicContact CE2-CB 4.21Å; F209-M219 HydrophobicContact CE2-CG 4.43Å; L215-M219 VanDerWaalsContact O-CB 3.3Å; L215-M219 WeakPolarHBondContact O-CB 3.18Å; L215-M219 PolarHBondContact O-N 3.11Å; Q216-M219 PolarHBondContact O-N 2.72Å; I217-M219 VanDerWaalsContact C-N 3.31Å; I217-M219 PolarHBondContact O-N 2.67Å; M219-F221 VanDerWaalsContact C-N 3.32Å; M219-F221 PolarHBondContact O-N 3.04Å; M219-N222 PolarHBondContact O-N 3.23Å; M219-V223 WeakPolarHBondContact O-CG2 3.2Å; M219-V223 PolarHBondContact O-N 3.2Å; M219-V223 HydrophobicContact SD-CG2 3.79Å; M219-V258 HydrophobicContact CE-CG1 3.91Å; M219-F259 HydrophobicContact CE-CD1 3.65Å; M219-F259 HydrophobicContact CE-CE1 4.01Å; M219-F259 HydrophobicContact CE-CG 4.43Å; M219-F259 HydrophobicContact SD-CD1 3.85Å; M219-F259 HydrophobicContact SD-CE1 3.53Å; M219-F259 VanDerWaalsContact SD-CE1 3.53Å; M219-F259 HydrophobicContact SD-CZ 4.39Å; M219-V262 HydrophobicContact CE-CB 3.88Å; M219-V262 HydrophobicContact CE-CG2 3.4Å; M219-V262 VanDerWaalsContact CE-CG2 3.4Å
220	A	91.7	Very high	89	Confident	60 Å²	60	58.1 Å²	58.1	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-41.1	177.7	0	0	0	0	0	112.5	Q216 I217 F224	Q216-A220 PolarHBondContact O-N 3.38Å; Q216-A220 VanDerWaalsContact O-N 3.11Å; I217-A220 WeakPolarHBondContact O-CB 3.5Å; I217-A220 PolarHBondContact O-N 3.23Å; I217-A220 VanDerWaalsContact O-N 3.13Å; A220-F224 PolarHBondContact O-N 3.17Å; A220-F224 VanDerWaalsContact O-N 3.13Å
221	F	94.4	Very high	89.7	Confident	38 Å²	38	50.5 Å²	50.5	17%	0.167	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-43.9	176.5	-68.1	-0.4	0	0	0	111.8	L187 A191 I194 I217 D218 M219 F224 F225	L187-F221 HydrophobicContact CD2-CD1 3.63Å; L187-F221 HydrophobicContact CD2-CE1 3.39Å; L187-F221 HydrophobicContact CD2-CG 4.38Å; L187-F221 HydrophobicContact CD2-CZ 3.99Å; A191-F221 HydrophobicContact CB-CD2 4.05Å; I194-F221 HydrophobicContact CD1-CD2 3.74Å; I194-F221 HydrophobicContact CD1-CE2 3.58Å; I217-F221 HydrophobicContact CG2-CD1 4.03Å; I217-F221 HydrophobicContact CG2-CD2 4.12Å; I217-F221 HydrophobicContact CG2-CE1 3.53Å; I217-F221 HydrophobicContact CG2-CE2 3.63Å; I217-F221 HydrophobicContact CG2-CG 4.32Å; I217-F221 HydrophobicContact CG2-CZ 3.32Å; I217-F221 WeakPolarHBondContact O-CD1 3.19Å; I217-F221 WeakPolarHBondContact O-CG 3.48Å; I217-F221 PolarHBondContact O-N 3.07Å; D218-F221 PolarHBondContact O-N 3.38Å; M219-F221 VanDerWaalsContact C-N 3.32Å; M219-F221 PolarHBondContact O-N 3.04Å; F221-F224 WeakPolarHBondContact O-CB 3.46Å; F221-F224 PolarHBondContact O-N 2.91Å; F221-F225 HydrophobicContact CB-CE2 4.04Å; F221-F225 WeakPolarHBondContact O-CD2 3.29Å; F221-F225 WeakPolarHBondContact O-CG 2.91Å; F221-F225 PolarHBondContact O-N 3.11Å
222	N	92.1	Very high	90.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.3	-27	-178.9	-71.2	-81.3	0	0	0	113.3	D218 M219 F225 L226 V255 V258 R275	D218-N222 WeakPolarHBondContact O-CB 3.24Å; D218-N222 PolarHBondContact O-N 3.48Å; D218-N222 PolarHBondContact O-ND2 3.25Å; D218-N222 PolarHBondContact OD1-ND2 2.69Å; M219-N222 PolarHBondContact O-N 3.23Å; N222-F225 PolarHBondContact O-N 3.22Å; N222-L226 WeakPolarHBondContact O-CB 3.18Å; N222-L226 PolarHBondContact O-N 3.03Å; N222-V255 HydrophobicContact CB-CG1 4.46Å; N222-V255 HydrophobicContact CB-CG2 4.26Å; N222-V258 HydrophobicContact CB-CB 4.33Å; N222-V258 HydrophobicContact CB-CG1 4.21Å; N222-R275 PolarHBondContact ND2-NH2 3.12Å
223	V	93.8	Very high	90.9	Very high	61 Å²	61	44.1 Å²	44.1	37%	0.37	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-42.9	165.5	169.6	0	0	0	0	111.1	M219 L226 L227 F259	M219-V223 WeakPolarHBondContact O-CG2 3.2Å; M219-V223 PolarHBondContact O-N 3.2Å; M219-V223 HydrophobicContact SD-CG2 3.79Å; V223-L226 PolarHBondContact O-N 2.85Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 3.18Å; V223-L227 VanDerWaalsContact O-N 3.13Å; V223-F259 HydrophobicContact CG2-CE1 4Å; V223-F259 HydrophobicContact CG2-CZ 3.99Å
224	F	94.6	Very high	91.1	Very high	44 Å²	44	40.6 Å²	40.6	19%	0.193	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-43.1	173.9	177.1	-86.4	0	0	0	112	L180 L183 V184 L187 A220 F221 L226 L227 Y228	L180-F224 HydrophobicContact CD1-CE2 4.27Å; L180-F224 HydrophobicContact CD1-CZ 3.92Å; L183-F224 HydrophobicContact CB-CE2 4.25Å; L183-F224 HydrophobicContact CB-CZ 3.78Å; V184-F224 HydrophobicContact CB-CE1 4.39Å; V184-F224 HydrophobicContact CG2-CE1 3.64Å; V184-F224 HydrophobicContact CG2-CZ 3.95Å; L187-F224 HydrophobicContact CD1-CB 4.33Å; L187-F224 HydrophobicContact CD1-CD1 3.46Å; L187-F224 VanDerWaalsContact CD1-CD1 3.46Å; L187-F224 HydrophobicContact CD1-CD2 3.98Å; L187-F224 HydrophobicContact CD1-CE1 3.63Å; L187-F224 HydrophobicContact CD1-CE2 4.11Å; L187-F224 HydrophobicContact CD1-CG 3.65Å; L187-F224 HydrophobicContact CD1-CZ 3.95Å; A220-F224 PolarHBondContact O-N 3.17Å; A220-F224 VanDerWaalsContact O-N 3.13Å; F221-F224 WeakPolarHBondContact O-CB 3.46Å; F221-F224 PolarHBondContact O-N 2.91Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 3.02Å; F224-L227 PolarHBondContact O-N 3.3Å; F224-Y228 PolarHBondContact O-N 3.11Å
225	F	93.4	Very high	91.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-35.7	175.5	-64.9	-53.4	0	0	0	112.9	L187 S188 A191 F221 N222 Y228 F229 V255 R278	L187-F225 HydrophobicContact CB-CE1 4.45Å; L187-F225 HydrophobicContact CB-CZ 3.98Å; S188-F225 WeakPolarHBondContact OG-CE1 3.48Å; A191-F225 HydrophobicContact CB-CE2 3.93Å; A191-F225 HydrophobicContact CB-CZ 4.4Å; F221-F225 HydrophobicContact CB-CE2 4.04Å; F221-F225 WeakPolarHBondContact O-CD2 3.29Å; F221-F225 WeakPolarHBondContact O-CG 2.91Å; F221-F225 PolarHBondContact O-N 3.11Å; N222-F225 PolarHBondContact O-N 3.22Å; F225-Y228 PolarHBondContact O-N 2.92Å; F225-F229 VanDerWaalsContact O-CB 3.27Å; F225-F229 WeakPolarHBondContact O-CB 3.28Å; F225-F229 PolarHBondContact O-N 2.99Å; F225-V255 HydrophobicContact CB-CG2 3.99Å; F225-R278 VanDerWaalsContact CD2-NH1 3.26Å
226	L	93.3	Very high	91.4	Very high	86 Å²	86	40.3 Å²	40.3	45%	0.45	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-42.8	173.5	-177.3	63	0	0	0	112	N222 V223 F224 G230 V255 F259	N222-L226 WeakPolarHBondContact O-CB 3.18Å; N222-L226 PolarHBondContact O-N 3.03Å; V223-L226 PolarHBondContact O-N 2.85Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 3.02Å; L226-G230 PolarHBondContact O-N 3.34Å; L226-V255 HydrophobicContact CB-CG1 4.19Å; L226-V255 HydrophobicContact CD1-CG1 4.47Å; L226-F259 HydrophobicContact CD2-CE2 4.02Å; L226-F259 HydrophobicContact CD2-CZ 3.98Å
227	L	92.5	Very high	91.4	Very high	117 Å²	117	44 Å²	44	61%	0.613	24%	0.243	S	C	*	.	H	α-helix	trans	-66	-42.6	175.7	-66.9	172.3	0	0	0	111.7	V223 F224 G230 L231	V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 3.18Å; V223-L227 VanDerWaalsContact O-N 3.13Å; F224-L227 PolarHBondContact O-N 3.3Å; L227-G230 PolarHBondContact O-N 3.12Å; L227-L231 PolarHBondContact O-N 3.4Å
228	Y	91.4	Very high	91.4	Very high	19 Å²	19	44.3 Å²	44.3	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-43.2	176.6	-178.3	-114.6	0	0	0	112.4	I170 L180 V184 F224 F225 G230 L231 R232	I170-Y228 HydrophobicContact CD1-CD2 3.99Å; I170-Y228 HydrophobicContact CD1-CE2 3.42Å; I170-Y228 VanDerWaalsContact CD1-CE2 3.42Å; L180-Y228 HydrophobicContact CD1-CD2 4.25Å; L180-Y228 HydrophobicContact CD2-CD2 4.2Å; L180-Y228 HydrophobicContact CD2-CE2 4.28Å; L180-Y228 HydrophobicContact CG-CD2 4.22Å; L180-Y228 HydrophobicContact CG-CE2 4.35Å; V184-Y228 HydrophobicContact CB-CE1 4.45Å; V184-Y228 HydrophobicContact CG1-CD1 4.1Å; V184-Y228 HydrophobicContact CG1-CE1 3.7Å; V184-Y228 HydrophobicContact CG2-CD1 3.82Å; V184-Y228 HydrophobicContact CG2-CD2 3.48Å; V184-Y228 VanDerWaalsContact CG2-CD2 3.48Å; V184-Y228 HydrophobicContact CG2-CE1 3.87Å; V184-Y228 HydrophobicContact CG2-CE2 3.54Å; V184-Y228 HydrophobicContact CG2-CG 3.62Å; F224-Y228 PolarHBondContact O-N 3.11Å; F225-Y228 PolarHBondContact O-N 2.92Å; Y228-G230 VanDerWaalsContact C-N 3.3Å; Y228-G230 PolarHBondContact O-N 3.22Å; Y228-L231 PolarHBondContact O-N 3.19Å; Y228-R232 HydrophobicContact CD1-CG 4.47Å; Y228-R232 HydrophobicContact CE1-CG 4.09Å; Y228-R232 HydrophobicContact CE2-CG 4.25Å; Y228-R232 WeakPolarHBondContact O-CG 3.37Å; Y228-R232 PolarHBondContact O-N 3.3Å
229	F	92.5	Very high	91.4	Very high	27 Å²	27	47.4 Å²	47.4	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-44.1	170.9	173.9	-89.6	0	0	0	111.2	F225 L231 R232 F233 F242 W243 D251 F252	F225-F229 VanDerWaalsContact O-CB 3.27Å; F225-F229 WeakPolarHBondContact O-CB 3.28Å; F225-F229 PolarHBondContact O-N 2.99Å; F229-L231 PolarHBondContact O-N 3.43Å; F229-R232 PolarHBondContact O-N 3.06Å; F229-F233 HydrophobicContact CE1-CB 4.42Å; F229-F233 WeakPolarHBondContact O-CB 3.29Å; F229-F233 PolarHBondContact O-N 2.9Å; F229-F242 HydrophobicContact CD2-CE1 4.2Å; F229-F242 AromaticContact CD2-CZ 3.98Å; F229-F242 HydrophobicContact CD2-CZ 3.98Å; F229-F242 AromaticContact CE2-CE1 3.6Å; F229-F242 HydrophobicContact CE2-CE1 3.6Å; F229-F242 AromaticContact CE2-CZ 3.81Å; F229-F242 HydrophobicContact CE2-CZ 3.81Å; F229-F242 AromaticContact CZ-CE1 3.84Å; F229-F242 HydrophobicContact CZ-CE1 3.84Å; F229-F242 HydrophobicContact CZ-CZ 4.45Å; F229-W243 HydrophobicContact CZ-CE3 4.45Å; F229-W243 HydrophobicContact CZ-CZ3 4.03Å; F229-D251 HydrophobicContact CD2-CB 4.11Å; F229-F252 HydrophobicContact CE1-CE1 4.22Å; F229-F252 AromaticContact CE2-CE1 3.8Å; F229-F252 HydrophobicContact CE2-CE1 3.8Å; F229-F252 HydrophobicContact CE2-CE2 4.44Å; F229-F252 AromaticContact CE2-CZ 3.67Å; F229-F252 HydrophobicContact CE2-CZ 3.67Å; F229-F252 AromaticContact CZ-CE1 3.46Å; F229-F252 HydrophobicContact CZ-CE1 3.46Å; F229-F252 VanDerWaalsContact CZ-CE1 3.46Å; F229-F252 AromaticContact CZ-CZ 3.48Å; F229-F252 HydrophobicContact CZ-CZ 3.48Å; F229-F252 VanDerWaalsContact CZ-CZ 3.48Å
230	G	92.2	Very high	91.5	Very high	27 Å²	27	47.8 Å²	47.8	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-45.5	175	0	0	0	0	0	113.2	L226 L227 Y228 F233 I234	L226-G230 PolarHBondContact O-N 3.34Å; L227-G230 PolarHBondContact O-N 3.12Å; Y228-G230 VanDerWaalsContact C-N 3.3Å; Y228-G230 PolarHBondContact O-N 3.22Å; G230-F233 PolarHBondContact O-N 2.82Å; G230-I234 VanDerWaalsContact O-CG1 3.3Å; G230-I234 WeakPolarHBondContact O-CG1 3.49Å; G230-I234 PolarHBondContact O-N 2.94Å
231	L	90.1	Very high	91.5	Very high	30 Å²	30	54.5 Å²	54.5	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-45	175.5	-69.8	172.7	0	0	0	112.1	W165 M169 I170 L180 L227 Y228 F229 I234 A235	W165-L231 HydrophobicContact CH2-CD2 4.39Å; W165-L231 HydrophobicContact CZ3-CD2 3.95Å; M169-L231 HydrophobicContact CE-CD1 4.24Å; I170-L231 HydrophobicContact CD1-CB 4.09Å; L180-L231 HydrophobicContact CD2-CD1 3.96Å; L227-L231 PolarHBondContact O-N 3.4Å; Y228-L231 PolarHBondContact O-N 3.19Å; F229-L231 PolarHBondContact O-N 3.43Å; L231-I234 PolarHBondContact O-N 3.33Å; L231-A235 WeakPolarHBondContact O-CB 3.38Å; L231-A235 PolarHBondContact O-N 3.1Å
232	R	90.9	Very high	91.4	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-44.2	175.4	-66.2	-164.1	-66.1	139.6	-4.2	111.8	I170 Y228 F229 I234 A235 A236 F242 E245 N247 D251	I170-R232 HydrophobicContact CD1-CG 3.76Å; I170-R232 HydrophobicContact CG1-CG 4.31Å; Y228-R232 HydrophobicContact CD1-CG 4.47Å; Y228-R232 HydrophobicContact CE1-CG 4.09Å; Y228-R232 HydrophobicContact CE2-CG 4.25Å; Y228-R232 WeakPolarHBondContact O-CG 3.37Å; Y228-R232 PolarHBondContact O-N 3.3Å; F229-R232 PolarHBondContact O-N 3.06Å; R232-I234 VanDerWaalsContact C-N 3.32Å; R232-I234 PolarHBondContact O-N 3.01Å; R232-A235 PolarHBondContact O-N 3.32Å; R232-A236 WeakPolarHBondContact O-CB 3.29Å; R232-A236 PolarHBondContact O-N 2.87Å; R232-F242 HydrophobicContact CB-CE2 3.5Å; R232-F242 VanDerWaalsContact CB-CE2 3.5Å; R232-F242 HydrophobicContact CB-CZ 3.6Å; R232-E245 IonicContact NH1-OE1 2.74Å; R232-E245 PolarHBondContact NH1-OE1 2.87Å; R232-N247 PolarHBondContact NH2-O 3.14Å; R232-D251 IonicContact CZ-OD2 2.74Å; R232-D251 IonicContact NH2-OD2 3.67Å; R232-D251 PolarHBondContact NH2-OD2 3.41Å
233	F	91.9	Very high	91.4	Very high	68 Å²	68	54.3 Å²	54.3	30%	0.298	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-40	176.8	-178.7	-94.5	0	0	0	112	I105 F229 G230 K239 F242 W243	I105-F233 HydrophobicContact CD1-CE2 4.49Å; F229-F233 HydrophobicContact CE1-CB 4.42Å; F229-F233 WeakPolarHBondContact O-CB 3.29Å; F229-F233 PolarHBondContact O-N 2.9Å; G230-F233 PolarHBondContact O-N 2.82Å; F233-K239 HydrophobicContact CE2-CB 4.29Å; F233-K239 HydrophobicContact CE2-CD 4.43Å; F233-K239 HydrophobicContact CZ-CB 4.48Å; F233-K239 HydrophobicContact CZ-CD 4.38Å; F233-K239 HydrophobicContact CZ-CG 4.49Å; F233-K239 WeakPolarHBondContact O-CE 3.36Å; F233-K239 PolarHBondContact O-NZ 3.42Å; F233-F242 HydrophobicContact CB-CD1 4.19Å; F233-F242 HydrophobicContact CB-CE1 3.62Å; F233-F242 HydrophobicContact CB-CZ 4.3Å; F233-F242 AromaticContact CD2-CD1 3.72Å; F233-F242 HydrophobicContact CD2-CD1 3.72Å; F233-F242 AromaticContact CD2-CE1 3.81Å; F233-F242 HydrophobicContact CD2-CE1 3.81Å; F233-F242 HydrophobicContact CG-CD1 4.42Å; F233-F242 HydrophobicContact CG-CE1 4.22Å; F233-W243 HydrophobicContact CD2-CE3 4.22Å; F233-W243 HydrophobicContact CD2-CZ3 4.22Å; F233-W243 AromaticContact CE2-CE3 3.91Å; F233-W243 HydrophobicContact CE2-CE3 3.91Å; F233-W243 AromaticContact CE2-CZ3 3.95Å; F233-W243 HydrophobicContact CE2-CZ3 3.95Å
234	I	90.1	Very high	91.2	Very high	68 Å²	68	55.9 Å²	55.9	35%	0.349	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-49.4	175.4	-71.2	166.4	0	0	0	110.7	V162 A166 G230 L231 R232 A236 K239	V162-I234 HydrophobicContact CG1-CG2 4.01Å; A166-I234 HydrophobicContact CB-CB 4.23Å; A166-I234 HydrophobicContact CB-CG2 3.72Å; G230-I234 VanDerWaalsContact O-CG1 3.3Å; G230-I234 WeakPolarHBondContact O-CG1 3.49Å; G230-I234 PolarHBondContact O-N 2.94Å; L231-I234 PolarHBondContact O-N 3.33Å; R232-I234 VanDerWaalsContact C-N 3.32Å; R232-I234 PolarHBondContact O-N 3.01Å; I234-A236 PolarHBondContact O-N 2.91Å; I234-K239 PolarHBondContact O-NZ 2.84Å
235	A	88.3	Confident	91	Very high	19 Å²	19	56.5 Å²	56.5	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-34	-177.9	0	0	0	0	0	114	K163 A166 I170 L231 R232 N237	K163-A235 WeakPolarHBondContact CE-O 3.37Å; A166-A235 HydrophobicContact CB-CB 4.03Å; I170-A235 HydrophobicContact CG1-CB 4.46Å; L231-A235 WeakPolarHBondContact O-CB 3.38Å; L231-A235 PolarHBondContact O-N 3.1Å; R232-A235 PolarHBondContact O-N 3.32Å; A235-N237 PolarHBondContact O-N 3.46Å
236	A	89.6	Confident	90.8	Very high	17 Å²	17	60.4 Å²	60.4	14%	0.14	31%	0.305	C	S	.	.			trans	-52.4	132.2	-173	0	0	0	0	0	114.2	R232 I234 K239 F242	R232-A236 WeakPolarHBondContact O-CB 3.29Å; R232-A236 PolarHBondContact O-N 2.87Å; I234-A236 PolarHBondContact O-N 2.91Å; A236-K239 HydrophobicContact CB-CD 4.3Å; A236-K239 WeakPolarHBondContact O-CE 3.4Å; A236-K239 PolarHBondContact O-NZ 2.9Å; A236-F242 HydrophobicContact CB-CB 3.65Å; A236-F242 HydrophobicContact CB-CD2 4.21Å; A236-F242 HydrophobicContact CB-CG 3.84Å
237	N	87.1	Confident	90.4	Very high	144 Å²	144	57.5 Å²	57.5	77%	0.77	29%	0.29	S	S	*	.	S	Bend	trans	-68.1	-50.1	175.4	-74.8	-39.2	0	0	0	112	K163 A235	K163-N237 WeakPolarHBondContact CE-OD1 3.41Å; K163-N237 PolarHBondContact NZ-OD1 2.84Å; A235-N237 PolarHBondContact O-N 3.46Å
238	D	90.3	Very high	90.3	Very high	61 Å²	61	52 Å²	52	33%	0.326	26%	0.261	S	S	.	.			trans	-108.3	117.7	174.1	-172	-46.7	0	0	0	109.6	R109 L240 W241 F242	R109-D238 IonicContact CZ-OD1 3.55Å; R109-D238 IonicContact CZ-OD2 3.44Å; R109-D238 IonicContact NH1-OD1 3.58Å; R109-D238 IonicContact NH1-OD2 3.25Å; R109-D238 PolarHBondContact NH1-OD2 3.45Å; R109-D238 IonicContact NH2-OD1 3.02Å; R109-D238 PolarHBondContact NH2-OD1 3.32Å; R109-D238 IonicContact NH2-OD2 2.71Å; R109-D238 PolarHBondContact NH2-OD2 3.02Å; D238-L240 WeakPolarHBondContact OD1-CA 3.4Å; D238-L240 WeakPolarHBondContact OD1-CB 3.23Å; D238-L240 PolarHBondContact OD1-N 2.71Å; D238-W241 HydrophobicContact CB-CB 3.86Å; D238-W241 PolarHBondContact OD1-N 3.24Å; D238-F242 WeakPolarHBondContact O-CB 3.39Å; D238-F242 PolarHBondContact O-N 3.2Å; D238-F242 VanDerWaalsContact O-N 3.14Å
239	K	89.8	Confident	90.3	Very high	64 Å²	64	53 Å²	53	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-72.6	-27.5	-178.8	-52.3	-52	-174.5	-167.6	0	113.3	F233 I234 A236 W243	F233-K239 HydrophobicContact CE2-CB 4.29Å; F233-K239 HydrophobicContact CE2-CD 4.43Å; F233-K239 HydrophobicContact CZ-CB 4.48Å; F233-K239 HydrophobicContact CZ-CD 4.38Å; F233-K239 HydrophobicContact CZ-CG 4.49Å; F233-K239 WeakPolarHBondContact O-CE 3.36Å; F233-K239 PolarHBondContact O-NZ 3.42Å; I234-K239 PolarHBondContact O-NZ 2.84Å; A236-K239 HydrophobicContact CB-CD 4.3Å; A236-K239 WeakPolarHBondContact O-CE 3.4Å; A236-K239 PolarHBondContact O-NZ 2.9Å; K239-W243 WeakPolarHBondContact O-CB 3.2Å; K239-W243 PolarHBondContact O-N 2.91Å; K239-W243 VanDerWaalsContact O-N 3.16Å
240	L	91.1	Very high	90.3	Very high	33 Å²	33	51.8 Å²	51.8	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-76.1	-43	176.7	-179.2	64.6	0	0	0	110.6	L102 I105 L106 D238 W243 L244	L102-L240 HydrophobicContact CD1-CD1 3.44Å; L102-L240 VanDerWaalsContact CD1-CD1 3.44Å; I105-L240 HydrophobicContact CG2-CB 3.84Å; I105-L240 HydrophobicContact CG2-CD1 4.01Å; L106-L240 HydrophobicContact CD2-CD1 4.06Å; L106-L240 HydrophobicContact CD2-CD2 3.99Å; L106-L240 HydrophobicContact CG-CD1 4.4Å; D238-L240 WeakPolarHBondContact OD1-CA 3.4Å; D238-L240 WeakPolarHBondContact OD1-CB 3.23Å; D238-L240 PolarHBondContact OD1-N 2.71Å; L240-W243 PolarHBondContact O-N 2.88Å; L240-L244 HydrophobicContact CD1-CD1 4.49Å; L240-L244 PolarHBondContact O-N 3.06Å
241	W	91.3	Very high	90.2	Very high	202 Å²	202	50.8 Å²	50.8	77%	0.765	25%	0.253	S	S	*	.	H	α-helix	trans	-61.2	-46.7	175.9	-168.6	-91.3	0	0	0	111.1	D238 W243 L244 E245	D238-W241 HydrophobicContact CB-CB 3.86Å; D238-W241 PolarHBondContact OD1-N 3.24Å; W241-W243 VanDerWaalsContact C-N 3.29Å; W241-W243 PolarHBondContact O-N 2.85Å; W241-L244 CarbonylContact O-C 3.59Å; W241-L244 PolarHBondContact O-N 3.25Å; W241-L244 VanDerWaalsContact O-N 3.15Å; W241-E245 PolarHBondContact O-N 2.98Å; W241-E245 VanDerWaalsContact O-N 3.1Å
242	F	92.2	Very high	90.3	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-33.9	174.6	175	-96.9	0	0	0	113.4	F229 R232 F233 A236 D238 L244 E245 S248	F229-F242 HydrophobicContact CD2-CE1 4.2Å; F229-F242 AromaticContact CD2-CZ 3.98Å; F229-F242 HydrophobicContact CD2-CZ 3.98Å; F229-F242 AromaticContact CE2-CE1 3.6Å; F229-F242 HydrophobicContact CE2-CE1 3.6Å; F229-F242 AromaticContact CE2-CZ 3.81Å; F229-F242 HydrophobicContact CE2-CZ 3.81Å; F229-F242 AromaticContact CZ-CE1 3.84Å; F229-F242 HydrophobicContact CZ-CE1 3.84Å; F229-F242 HydrophobicContact CZ-CZ 4.45Å; R232-F242 HydrophobicContact CB-CE2 3.5Å; R232-F242 VanDerWaalsContact CB-CE2 3.5Å; R232-F242 HydrophobicContact CB-CZ 3.6Å; F233-F242 HydrophobicContact CB-CD1 4.19Å; F233-F242 HydrophobicContact CB-CE1 3.62Å; F233-F242 HydrophobicContact CB-CZ 4.3Å; F233-F242 AromaticContact CD2-CD1 3.72Å; F233-F242 HydrophobicContact CD2-CD1 3.72Å; F233-F242 AromaticContact CD2-CE1 3.81Å; F233-F242 HydrophobicContact CD2-CE1 3.81Å; F233-F242 HydrophobicContact CG-CD1 4.42Å; F233-F242 HydrophobicContact CG-CE1 4.22Å; A236-F242 HydrophobicContact CB-CB 3.65Å; A236-F242 HydrophobicContact CB-CD2 4.21Å; A236-F242 HydrophobicContact CB-CG 3.84Å; D238-F242 WeakPolarHBondContact O-CB 3.39Å; D238-F242 PolarHBondContact O-N 3.2Å; D238-F242 VanDerWaalsContact O-N 3.14Å; F242-L244 VanDerWaalsContact C-N 3.26Å; F242-L244 PolarHBondContact O-N 3Å; F242-E245 WeakPolarHBondContact CD2-OE2 3.47Å; F242-E245 WeakPolarHBondContact O-CB 3.47Å; F242-E245 PolarHBondContact O-N 2.85Å; F242-S248 VanDerWaalsContact CE2-OG 3.3Å; F242-S248 WeakPolarHBondContact CE2-OG 3.15Å; F242-S248 VanDerWaalsContact CZ-OG 3.26Å; F242-S248 WeakPolarHBondContact CZ-OG 3.46Å; F242-S248 WeakPolarHBondContact O-CB 3.31Å; F242-S248 PolarHBondContact O-OG 2.9Å
243	W	92.3	Very high	90.4	Very high	25 Å²	25	50.5 Å²	50.5	10%	0.095	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-25.2	177.1	-156.7	-91.3	0	0	0	113.3	F98 I105 F229 F233 K239 L240 W241 F252	F98-W243 AromaticContact CD2-NE1 3.86Å; F98-W243 PolarHBondContact O-NE1 3.21Å; I105-W243 HydrophobicContact CD1-CB 3.89Å; I105-W243 HydrophobicContact CD1-CD2 3.6Å; I105-W243 HydrophobicContact CD1-CE3 3.52Å; I105-W243 HydrophobicContact CD1-CG 3.78Å; I105-W243 HydrophobicContact CD1-CZ3 4.3Å; F229-W243 HydrophobicContact CZ-CE3 4.45Å; F229-W243 HydrophobicContact CZ-CZ3 4.03Å; F233-W243 HydrophobicContact CD2-CE3 4.22Å; F233-W243 HydrophobicContact CD2-CZ3 4.22Å; F233-W243 AromaticContact CE2-CE3 3.91Å; F233-W243 HydrophobicContact CE2-CE3 3.91Å; F233-W243 AromaticContact CE2-CZ3 3.95Å; F233-W243 HydrophobicContact CE2-CZ3 3.95Å; K239-W243 WeakPolarHBondContact O-CB 3.2Å; K239-W243 PolarHBondContact O-N 2.91Å; K239-W243 VanDerWaalsContact O-N 3.16Å; L240-W243 PolarHBondContact O-N 2.88Å; W241-W243 VanDerWaalsContact C-N 3.29Å; W241-W243 PolarHBondContact O-N 2.85Å; W243-F252 HydrophobicContact CD2-CE2 4.04Å; W243-F252 AromaticContact CD2-CZ 3.56Å; W243-F252 HydrophobicContact CD2-CZ 3.56Å; W243-F252 AromaticContact CE2-CE2 3.8Å; W243-F252 AromaticContact CE2-CZ 3.35Å; W243-F252 AromaticContact CE3-CZ 3.75Å; W243-F252 HydrophobicContact CE3-CZ 3.75Å; W243-F252 HydrophobicContact CG-CE2 4.27Å; W243-F252 HydrophobicContact CG-CZ 4.25Å; W243-F252 AromaticContact CH2-CE1 3.63Å; W243-F252 HydrophobicContact CH2-CE1 3.63Å; W243-F252 AromaticContact CH2-CZ 3.58Å; W243-F252 HydrophobicContact CH2-CZ 3.58Å; W243-F252 AromaticContact CZ2-CE1 3.57Å; W243-F252 HydrophobicContact CZ2-CE1 3.57Å; W243-F252 HydrophobicContact CZ2-CE2 4.15Å; W243-F252 AromaticContact CZ2-CZ 3.35Å; W243-F252 HydrophobicContact CZ2-CZ 3.35Å; W243-F252 HydrophobicContact CZ3-CE1 4.15Å; W243-F252 AromaticContact CZ3-CZ 3.78Å; W243-F252 HydrophobicContact CZ3-CZ 3.78Å; W243-F252 AromaticContact NE1-CE2 3.92Å; W243-F252 AromaticContact NE1-CZ 3.96Å
244	L	90.6	Very high	90.3	Very high	93 Å²	93	47.4 Å²	47.4	49%	0.487	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.1	178.4	-60.3	176.7	0	0	0	112.9	F98 L102 L240 W241 F242	F98-L244 HydrophobicContact CE2-CD2 4.25Å; F98-L244 HydrophobicContact CZ-CD2 3.95Å; L102-L244 HydrophobicContact CD1-CD2 4.16Å; L102-L244 HydrophobicContact CD2-CD2 4.49Å; L240-L244 HydrophobicContact CD1-CD1 4.49Å; L240-L244 PolarHBondContact O-N 3.06Å; W241-L244 CarbonylContact O-C 3.59Å; W241-L244 PolarHBondContact O-N 3.25Å; W241-L244 VanDerWaalsContact O-N 3.15Å; F242-L244 VanDerWaalsContact C-N 3.26Å; F242-L244 PolarHBondContact O-N 3Å
245	E	90.4	Very high	90.5	Very high	58 Å²	58	44.6 Å²	44.6	27%	0.271	22%	0.223	S	C	.	.	S	Bend	trans	-66.1	134.7	175.5	-169.4	-165.2	123.6	0	0	110.7	R232 W241 F242 N247 S248 V249	R232-E245 IonicContact NH1-OE1 2.74Å; R232-E245 PolarHBondContact NH1-OE1 2.87Å; W241-E245 PolarHBondContact O-N 2.98Å; W241-E245 VanDerWaalsContact O-N 3.1Å; F242-E245 WeakPolarHBondContact CD2-OE2 3.47Å; F242-E245 WeakPolarHBondContact O-CB 3.47Å; F242-E245 PolarHBondContact O-N 2.85Å; E245-N247 PolarHBondContact O-N 3.41Å; E245-N247 VanDerWaalsContact O-N 3.15Å; E245-N247 WeakPolarHBondContact OE1-CB 3.35Å; E245-N247 PolarHBondContact OE1-ND2 2.78Å; E245-S248 WeakPolarHBondContact O-CA 3.48Å; E245-S248 VanDerWaalsContact O-CB 3.3Å; E245-S248 WeakPolarHBondContact O-CB 3.47Å; E245-S248 PolarHBondContact O-N 2.85Å; E245-V249 PolarHBondContact O-N 2.65Å
246	V	88.4	Confident	90.7	Very high	83 Å²	83	44.7 Å²	44.7	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-54.5	-39.5	-176.4	-179.4	0	0	0	0	112.3	S248 V249 V250 L277	V246-S248 VanDerWaalsContact C-N 3.29Å; V246-S248 PolarHBondContact O-N 2.92Å; V246-V249 WeakPolarHBondContact O-CB 3.1Å; V246-V249 PolarHBondContact O-N 3.14Å; V246-V250 WeakPolarHBondContact O-CG2 3.49Å; V246-V250 PolarHBondContact O-N 2.9Å; V246-L277 HydrophobicContact CG1-CD1 4.42Å
247	N	86.5	Confident	90.7	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.139	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-28	178.7	-48.9	-59.6	0	0	0	112.6	R232 E245 D251 Q281	R232-N247 PolarHBondContact NH2-O 3.14Å; E245-N247 PolarHBondContact O-N 3.41Å; E245-N247 VanDerWaalsContact O-N 3.15Å; E245-N247 WeakPolarHBondContact OE1-CB 3.35Å; E245-N247 PolarHBondContact OE1-ND2 2.78Å; N247-D251 VanDerWaalsContact O-CG 3.31Å; N247-D251 PolarHBondContact O-N 2.57Å; N247-Q281 PolarHBondContact ND2-NE2 3.26Å
248	S	90.4	Very high	90.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-75.1	-40	172.2	-59.8	0	0	0	0	111.2	F242 E245 V246 V250 D251 F252	F242-S248 VanDerWaalsContact CE2-OG 3.3Å; F242-S248 WeakPolarHBondContact CE2-OG 3.15Å; F242-S248 VanDerWaalsContact CZ-OG 3.26Å; F242-S248 WeakPolarHBondContact CZ-OG 3.46Å; F242-S248 WeakPolarHBondContact O-CB 3.31Å; F242-S248 PolarHBondContact O-OG 2.9Å; E245-S248 WeakPolarHBondContact O-CA 3.48Å; E245-S248 VanDerWaalsContact O-CB 3.3Å; E245-S248 WeakPolarHBondContact O-CB 3.47Å; E245-S248 PolarHBondContact O-N 2.85Å; V246-S248 VanDerWaalsContact C-N 3.29Å; V246-S248 PolarHBondContact O-N 2.92Å; S248-V250 VanDerWaalsContact C-N 3.33Å; S248-V250 PolarHBondContact O-N 3.35Å; S248-D251 PolarHBondContact O-N 2.91Å; S248-D251 VanDerWaalsContact O-N 3.13Å; S248-F252 WeakPolarHBondContact O-CD2 3.3Å; S248-F252 WeakPolarHBondContact O-CG 3.33Å; S248-F252 PolarHBondContact O-N 2.94Å
249	V	90.6	Very high	90.9	Very high	40 Å²	40	38.6 Å²	38.6	24%	0.242	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-43.8	174.1	175.7	0	0	0	0	111.2	F98 E245 V246 D251 F252 F253	F98-V249 HydrophobicContact CE2-CG2 4.25Å; E245-V249 PolarHBondContact O-N 2.65Å; V246-V249 WeakPolarHBondContact O-CB 3.1Å; V246-V249 PolarHBondContact O-N 3.14Å; V249-D251 VanDerWaalsContact C-N 3.32Å; V249-D251 PolarHBondContact O-N 2.8Å; V249-F252 PolarHBondContact O-N 3.48Å; V249-F253 HydrophobicContact CG1-CD2 3.77Å; V249-F253 HydrophobicContact CG1-CE2 3.79Å; V249-F253 VanDerWaalsContact O-CD2 3.31Å; V249-F253 WeakPolarHBondContact O-CD2 3.32Å; V249-F253 PolarHBondContact O-N 3.48Å; V249-F253 VanDerWaalsContact O-N 3.16Å
250	V	91.9	Very high	90.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-42.8	173.9	173.4	0	0	0	0	111.6	V246 S248 F253 T254 L274 L277 R278	V246-V250 WeakPolarHBondContact O-CG2 3.49Å; V246-V250 PolarHBondContact O-N 2.9Å; S248-V250 VanDerWaalsContact C-N 3.33Å; S248-V250 PolarHBondContact O-N 3.35Å; V250-F253 PolarHBondContact O-N 2.7Å; V250-T254 HydrophobicContact CG1-CG2 4.25Å; V250-T254 WeakPolarHBondContact O-CB 3.46Å; V250-T254 VanDerWaalsContact O-CG2 3.28Å; V250-T254 WeakPolarHBondContact O-CG2 3.38Å; V250-T254 PolarHBondContact O-N 2.85Å; V250-T254 VanDerWaalsContact O-N 3.11Å; V250-T254 PolarHBondContact O-OG1 2.65Å; V250-L274 HydrophobicContact CG1-CB 4.48Å; V250-L274 WeakPolarHBondContact CG1-O 3.27Å; V250-L277 HydrophobicContact CG2-CB 3.78Å; V250-L277 HydrophobicContact CG2-CD1 3.95Å; V250-L277 HydrophobicContact CG2-CG 4.46Å; V250-R278 HydrophobicContact CG1-CG 3.95Å
251	D	91.2	Very high	90.6	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-43.8	178.3	-66.2	-14.7	0	0	0	111.2	F229 R232 N247 S248 V249 F253 T254 V255 P256 R278	F229-D251 HydrophobicContact CD2-CB 4.11Å; R232-D251 IonicContact CZ-OD2 2.74Å; R232-D251 IonicContact NH2-OD2 3.67Å; R232-D251 PolarHBondContact NH2-OD2 3.41Å; N247-D251 VanDerWaalsContact O-CG 3.31Å; N247-D251 PolarHBondContact O-N 2.57Å; S248-D251 PolarHBondContact O-N 2.91Å; S248-D251 VanDerWaalsContact O-N 3.13Å; V249-D251 VanDerWaalsContact C-N 3.32Å; V249-D251 PolarHBondContact O-N 2.8Å; D251-F253 VanDerWaalsContact C-N 3.31Å; D251-F253 PolarHBondContact O-N 3.24Å; D251-T254 PolarHBondContact O-N 3.04Å; D251-V255 WeakPolarHBondContact O-CB 3.48Å; D251-V255 PolarHBondContact O-N 3.32Å; D251-P256 WeakPolarHBondContact O-CD 3.38Å; D251-R278 IonicContact OD1-CZ 3.18Å; D251-R278 IonicContact OD1-NE 3.36Å; D251-R278 PolarHBondContact OD1-NE 3.5Å; D251-R278 IonicContact OD1-NH2 3.98Å; D251-R278 PolarHBondContact OD1-NH2 2.94Å
252	F	92.3	Very high	90.3	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.035	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-30	177.2	-60.6	-49	0	0	0	114.5	S94 T97 F98 F229 W243 S248 V249 P256	S94-F252 WeakPolarHBondContact CB-O 3.33Å; S94-F252 PolarHBondContact OG-O 3.32Å; T97-F252 HydrophobicContact CG2-CD1 3.84Å; T97-F252 HydrophobicContact CG2-CE1 4.3Å; F98-F252 AromaticContact CD2-CD2 3.6Å; F98-F252 HydrophobicContact CD2-CD2 3.6Å; F98-F252 AromaticContact CD2-CE2 3.94Å; F98-F252 HydrophobicContact CD2-CE2 3.94Å; F98-F252 HydrophobicContact CD2-CG 4.42Å; F98-F252 HydrophobicContact CE2-CD2 4.35Å; F98-F252 HydrophobicContact CE2-CE2 4.47Å; F229-F252 HydrophobicContact CE1-CE1 4.22Å; F229-F252 AromaticContact CE2-CE1 3.8Å; F229-F252 HydrophobicContact CE2-CE1 3.8Å; F229-F252 HydrophobicContact CE2-CE2 4.44Å; F229-F252 AromaticContact CE2-CZ 3.67Å; F229-F252 HydrophobicContact CE2-CZ 3.67Å; F229-F252 AromaticContact CZ-CE1 3.46Å; F229-F252 HydrophobicContact CZ-CE1 3.46Å; F229-F252 VanDerWaalsContact CZ-CE1 3.46Å; F229-F252 AromaticContact CZ-CZ 3.48Å; F229-F252 HydrophobicContact CZ-CZ 3.48Å; F229-F252 VanDerWaalsContact CZ-CZ 3.48Å; W243-F252 HydrophobicContact CD2-CE2 4.04Å; W243-F252 AromaticContact CD2-CZ 3.56Å; W243-F252 HydrophobicContact CD2-CZ 3.56Å; W243-F252 AromaticContact CE2-CE2 3.8Å; W243-F252 AromaticContact CE2-CZ 3.35Å; W243-F252 AromaticContact CE3-CZ 3.75Å; W243-F252 HydrophobicContact CE3-CZ 3.75Å; W243-F252 HydrophobicContact CG-CE2 4.27Å; W243-F252 HydrophobicContact CG-CZ 4.25Å; W243-F252 AromaticContact CH2-CE1 3.63Å; W243-F252 HydrophobicContact CH2-CE1 3.63Å; W243-F252 AromaticContact CH2-CZ 3.58Å; W243-F252 HydrophobicContact CH2-CZ 3.58Å; W243-F252 AromaticContact CZ2-CE1 3.57Å; W243-F252 HydrophobicContact CZ2-CE1 3.57Å; W243-F252 HydrophobicContact CZ2-CE2 4.15Å; W243-F252 AromaticContact CZ2-CZ 3.35Å; W243-F252 HydrophobicContact CZ2-CZ 3.35Å; W243-F252 HydrophobicContact CZ3-CE1 4.15Å; W243-F252 AromaticContact CZ3-CZ 3.78Å; W243-F252 HydrophobicContact CZ3-CZ 3.78Å; W243-F252 AromaticContact NE1-CE2 3.92Å; W243-F252 AromaticContact NE1-CZ 3.96Å; S248-F252 WeakPolarHBondContact O-CD2 3.3Å; S248-F252 WeakPolarHBondContact O-CG 3.33Å; S248-F252 PolarHBondContact O-N 2.94Å; V249-F252 PolarHBondContact O-N 3.48Å; F252-P256 VanDerWaalsContact O-CD 3.23Å; F252-P256 WeakPolarHBondContact O-CD 3.32Å; F252-P256 WeakPolarHBondContact O-CG 3.24Å
253	F	91.8	Very high	90.1	Very high	34 Å²	34	36.1 Å²	36.1	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-92.4	-6.1	177.9	-75.4	-69.8	0	0	0	114.6	L91 M95 V249 V250 D251 L271 L274	L91-F253 HydrophobicContact CD1-CE1 4.39Å; M95-F253 HydrophobicContact CE-CE1 3.74Å; M95-F253 HydrophobicContact CE-CZ 3.51Å; V249-F253 HydrophobicContact CG1-CD2 3.77Å; V249-F253 HydrophobicContact CG1-CE2 3.79Å; V249-F253 VanDerWaalsContact O-CD2 3.31Å; V249-F253 WeakPolarHBondContact O-CD2 3.32Å; V249-F253 PolarHBondContact O-N 3.48Å; V249-F253 VanDerWaalsContact O-N 3.16Å; V250-F253 PolarHBondContact O-N 2.7Å; D251-F253 VanDerWaalsContact C-N 3.31Å; D251-F253 PolarHBondContact O-N 3.24Å; F253-L271 HydrophobicContact CB-CD1 4.4Å; F253-L271 HydrophobicContact CD1-CD1 3.46Å; F253-L271 VanDerWaalsContact CD1-CD1 3.46Å; F253-L271 HydrophobicContact CE1-CD1 3.93Å; F253-L271 HydrophobicContact CG-CD1 4.15Å; F253-L274 HydrophobicContact CB-CD1 3.53Å; F253-L274 HydrophobicContact CD2-CD1 4.22Å; F253-L274 HydrophobicContact CG-CD1 4.01Å
254	T	91.3	Very high	89.7	Confident	3 Å²	3	38 Å²	38	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-118.7	-31.9	-177.4	58.3	0	0	0	0	114	V250 D251 V258 L274 R275 R278	V250-T254 HydrophobicContact CG1-CG2 4.25Å; V250-T254 WeakPolarHBondContact O-CB 3.46Å; V250-T254 VanDerWaalsContact O-CG2 3.28Å; V250-T254 WeakPolarHBondContact O-CG2 3.38Å; V250-T254 PolarHBondContact O-N 2.85Å; V250-T254 VanDerWaalsContact O-N 3.11Å; V250-T254 PolarHBondContact O-OG1 2.65Å; D251-T254 PolarHBondContact O-N 3.04Å; T254-V258 WeakPolarHBondContact O-CG2 3.49Å; T254-L274 HydrophobicContact CG2-CB 4.27Å; T254-R275 HydrophobicContact CG2-CG 3.75Å; T254-R278 PolarHBondContact OG1-NH2 3.32Å
255	V	92.9	Very high	89.2	Confident	8 Å²	8	36.5 Å²	36.5	5%	0.048	18%	0.183	C	C	.	.	S	Bend	trans	-84.9	-52.9	-175.6	173.6	0	0	0	0	112.9	N222 F225 L226 D251 V258 F259	N222-V255 HydrophobicContact CB-CG1 4.46Å; N222-V255 HydrophobicContact CB-CG2 4.26Å; F225-V255 HydrophobicContact CB-CG2 3.99Å; L226-V255 HydrophobicContact CB-CG1 4.19Å; L226-V255 HydrophobicContact CD1-CG1 4.47Å; D251-V255 WeakPolarHBondContact O-CB 3.48Å; D251-V255 PolarHBondContact O-N 3.32Å; V255-V258 PolarHBondContact O-N 2.79Å; V255-V258 VanDerWaalsContact O-N 3.16Å; V255-F259 HydrophobicContact CG1-CD2 4.17Å; V255-F259 HydrophobicContact CG1-CE2 3.58Å; V255-F259 WeakPolarHBondContact O-CD2 3.05Å
256	P	92.9	Very high	88.8	Confident	21 Å²	21	34.9 Å²	34.9	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-41.7	178.1	-22	32.2	0	0	0	115	T97 D251 F252 V258 F259 V260	T97-P256 HydrophobicContact CG2-CG 4.34Å; D251-P256 WeakPolarHBondContact O-CD 3.38Å; F252-P256 VanDerWaalsContact O-CD 3.23Å; F252-P256 WeakPolarHBondContact O-CD 3.32Å; F252-P256 WeakPolarHBondContact O-CG 3.24Å; P256-V258 PolarHBondContact O-N 2.81Å; P256-F259 PolarHBondContact O-N 2.9Å; P256-F259 VanDerWaalsContact O-N 3.17Å; P256-V260 PolarHBondContact O-N 2.89Å; P256-V260 VanDerWaalsContact O-N 3.09Å
257	P	90.5	Very high	88.6	Confident	15 Å²	15	31.2 Å²	31.2	10%	0.097	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-27.6	177.2	-28.5	38.9	0	0	0	114.4	F90 S94 V260 S261	F90-P257 HydrophobicContact CB-CB 4.29Å; F90-P257 HydrophobicContact CD1-CB 4.22Å; F90-P257 WeakPolarHBondContact CD1-O 3.47Å; S94-P257 WeakPolarHBondContact OG-CD 3.44Å; S94-P257 VanDerWaalsContact OG-CG 3.31Å; S94-P257 WeakPolarHBondContact OG-CG 3.29Å; P257-V260 PolarHBondContact O-N 3.03Å; P257-S261 WeakPolarHBondContact O-CB 3.47Å; P257-S261 PolarHBondContact O-N 3.38Å
258	V	89.9	Confident	88.7	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-75.1	-34.8	178.3	173.7	0	0	0	0	111.2	D218 M219 N222 T254 V255 P256 S261 V262	D218-V258 WeakPolarHBondContact OD2-CG2 3.15Å; M219-V258 HydrophobicContact CE-CG1 3.91Å; N222-V258 HydrophobicContact CB-CB 4.33Å; N222-V258 HydrophobicContact CB-CG1 4.21Å; T254-V258 WeakPolarHBondContact O-CG2 3.49Å; V255-V258 PolarHBondContact O-N 2.79Å; V255-V258 VanDerWaalsContact O-N 3.16Å; P256-V258 PolarHBondContact O-N 2.81Å; V258-S261 WeakPolarHBondContact O-CB 3.46Å; V258-S261 PolarHBondContact O-N 3.27Å; V258-V262 PolarHBondContact O-N 2.86Å
259	F	89.8	Confident	88.4	Confident	77 Å²	77	31.5 Å²	31.5	34%	0.338	15%	0.152	S	C	.	.	H	α-helix	trans	-66.3	-41	169.5	-67	-64.9	0	0	0	112.1	M219 V223 L226 V255 P256 S261 V262 Y263	M219-F259 HydrophobicContact CE-CD1 3.65Å; M219-F259 HydrophobicContact CE-CE1 4.01Å; M219-F259 HydrophobicContact CE-CG 4.43Å; M219-F259 HydrophobicContact SD-CD1 3.85Å; M219-F259 HydrophobicContact SD-CE1 3.53Å; M219-F259 VanDerWaalsContact SD-CE1 3.53Å; M219-F259 HydrophobicContact SD-CZ 4.39Å; V223-F259 HydrophobicContact CG2-CE1 4Å; V223-F259 HydrophobicContact CG2-CZ 3.99Å; L226-F259 HydrophobicContact CD2-CE2 4.02Å; L226-F259 HydrophobicContact CD2-CZ 3.98Å; V255-F259 HydrophobicContact CG1-CD2 4.17Å; V255-F259 HydrophobicContact CG1-CE2 3.58Å; V255-F259 WeakPolarHBondContact O-CD2 3.05Å; P256-F259 PolarHBondContact O-N 2.9Å; P256-F259 VanDerWaalsContact O-N 3.17Å; F259-S261 VanDerWaalsContact C-N 3.29Å; F259-S261 PolarHBondContact O-N 3.04Å; F259-V262 PolarHBondContact O-N 3.03Å; F259-Y263 WeakPolarHBondContact O-CB 3.44Å; F259-Y263 PolarHBondContact O-N 2.82Å
260	V	88.8	Confident	88.3	Confident	27 Å²	27	29.6 Å²	29.6	16%	0.164	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-37.7	172	175.6	0	0	0	0	111.4	F90 P256 P257 V262 Y263 L264	F90-V260 HydrophobicContact CD1-CB 4.12Å; F90-V260 HydrophobicContact CD1-CG1 3.85Å; F90-V260 HydrophobicContact CE1-CB 4.42Å; F90-V260 HydrophobicContact CE1-CG1 4.01Å; F90-V260 HydrophobicContact CG-CG1 4.15Å; F90-V260 HydrophobicContact CZ-CG1 4.44Å; P256-V260 PolarHBondContact O-N 2.89Å; P256-V260 VanDerWaalsContact O-N 3.09Å; P257-V260 PolarHBondContact O-N 3.03Å; V260-V262 PolarHBondContact O-N 2.75Å; V260-Y263 PolarHBondContact O-N 3.48Å; V260-L264 HydrophobicContact CG1-CD1 3.67Å; V260-L264 HydrophobicContact CG1-CG 4.16Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CG 3.33Å; V260-L264 PolarHBondContact O-N 2.97Å
261	S	86.2	Confident	88.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-44	179.2	-169.9	0	0	0	0	113	P257 V258 F259 N265 R266 S267	P257-S261 WeakPolarHBondContact O-CB 3.47Å; P257-S261 PolarHBondContact O-N 3.38Å; V258-S261 WeakPolarHBondContact O-CB 3.46Å; V258-S261 PolarHBondContact O-N 3.27Å; F259-S261 VanDerWaalsContact C-N 3.29Å; F259-S261 PolarHBondContact O-N 3.04Å; S261-N265 WeakPolarHBondContact O-CA 3.07Å; S261-N265 PolarHBondContact O-N 3.45Å; S261-R266 WeakPolarHBondContact CA-O 3.03Å; S261-R266 WeakPolarHBondContact CB-O 3.32Å; S261-R266 PolarHBondContact O-N 2.9Å; S261-R266 VanDerWaalsContact O-N 3.07Å; S261-R266 PolarHBondContact OG-O 2.99Å; S261-S267 WeakPolarHBondContact OG-CA 3.37Å
262	V	86.4	Confident	88.3	Confident	33 Å²	33	31.5 Å²	31.5	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-73.1	-38.1	175.9	175.6	0	0	0	0	111.6	F209 L215 M219 V258 F259 V260 L264 N265	F209-V262 HydrophobicContact CB-CG1 4.37Å; F209-V262 HydrophobicContact CD1-CG1 4.39Å; F209-V262 HydrophobicContact CD2-CB 4.31Å; F209-V262 HydrophobicContact CD2-CG1 3.79Å; F209-V262 HydrophobicContact CD2-CG2 3.57Å; F209-V262 HydrophobicContact CE2-CG1 4.14Å; F209-V262 HydrophobicContact CE2-CG2 3.78Å; F209-V262 HydrophobicContact CG-CG1 3.92Å; F209-V262 HydrophobicContact CG-CG2 4.47Å; L215-V262 HydrophobicContact CD1-CG2 4.19Å; L215-V262 HydrophobicContact CD2-CG2 4.19Å; L215-V262 HydrophobicContact CG-CG2 4.07Å; M219-V262 HydrophobicContact CE-CB 3.88Å; M219-V262 HydrophobicContact CE-CG2 3.4Å; M219-V262 VanDerWaalsContact CE-CG2 3.4Å; V258-V262 PolarHBondContact O-N 2.86Å; F259-V262 PolarHBondContact O-N 3.03Å; V260-V262 PolarHBondContact O-N 2.75Å; V262-L264 VanDerWaalsContact C-N 3.31Å; V262-L264 PolarHBondContact O-N 3.5Å; V262-N265 PolarHBondContact O-N 2.94Å
263	Y	86.5	Confident	88.3	Confident	197 Å²	197	31.4 Å²	31.4	77%	0.773	15%	0.149	S	C	*	.	H	α-helix	trans	-61.4	-37.2	175.5	-178.1	-104.8	0	0	0	112.9	F259 V260	F259-Y263 WeakPolarHBondContact O-CB 3.44Å; F259-Y263 PolarHBondContact O-N 2.82Å; V260-Y263 PolarHBondContact O-N 3.48Å
264	L	83.6	Confident	88.4	Confident	64 Å²	64	31.1 Å²	31.1	34%	0.335	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-2.5	179.7	-61.1	-179.3	0	0	0	114.5	A89 F90 V260 V262 R266	A89-L264 HydrophobicContact CB-CD1 4.38Å; F90-L264 HydrophobicContact CE2-CD1 4.41Å; F90-L264 HydrophobicContact CZ-CD1 4.41Å; V260-L264 HydrophobicContact CG1-CD1 3.67Å; V260-L264 HydrophobicContact CG1-CG 4.16Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CG 3.33Å; V260-L264 PolarHBondContact O-N 2.97Å; V262-L264 VanDerWaalsContact C-N 3.31Å; V262-L264 PolarHBondContact O-N 3.5Å; L264-R266 HydrophobicContact CB-CB 4.35Å; L264-R266 PolarHBondContact O-N 2.91Å
265	N	81.9	Confident	88.4	Confident	62 Å²	62	31 Å²	31	33%	0.332	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	41.5	-169.4	-74.2	-82.7	0	0	0	113.3	Q207 F209 S261 V262	Q207-N265 CarbonylContact C-O 3.56Å; Q207-N265 PolarHBondContact N-O 2.87Å; Q207-N265 CarbonylContact O-C 3.53Å; Q207-N265 VanDerWaalsContact O-C 3.29Å; Q207-N265 VanDerWaalsContact O-O 3.1Å; F209-N265 PolarHBondContact N-OD1 3.02Å; S261-N265 WeakPolarHBondContact O-CA 3.07Å; S261-N265 PolarHBondContact O-N 3.45Å; V262-N265 PolarHBondContact O-N 2.94Å
266	R	82.1	Confident	88.4	Confident	24 Å²	24	30.6 Å²	30.6	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.3	-176.1	-164.9	-174.5	-70.7	-162.4	-4.9	109.5	C79 Q84 F90 E204 S205 S261 L264	C79-R266 PolarHBondContact SG-NE 3.5Å; C79-R266 VanDerWaalsContact SG-NE 3.41Å; Q84-R266 PolarHBondContact O-NH1 2.89Å; F90-R266 WeakPolarHBondContact CZ-O 3.47Å; E204-R266 HydrophobicContact CG-CG 4.23Å; E204-R266 WeakPolarHBondContact OE1-CD 3.37Å; E204-R266 IonicContact OE1-CZ 2.62Å; E204-R266 IonicContact OE1-NE 2.89Å; E204-R266 IonicContact OE1-NH1 2.77Å; E204-R266 PolarHBondContact OE1-NH1 3.06Å; S205-R266 CarbonylContact O-C 3.55Å; S205-R266 WeakPolarHBondContact O-CA 3.43Å; S205-R266 WeakPolarHBondContact O-CG 3.26Å; S261-R266 WeakPolarHBondContact CA-O 3.03Å; S261-R266 WeakPolarHBondContact CB-O 3.32Å; S261-R266 PolarHBondContact O-N 2.9Å; S261-R266 VanDerWaalsContact O-N 3.07Å; S261-R266 PolarHBondContact OG-O 2.99Å; L264-R266 HydrophobicContact CB-CB 4.35Å; L264-R266 PolarHBondContact O-N 2.91Å
267	S	83.9	Confident	88.4	Confident	6 Å²	6	31 Å²	31	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	143.9	175.5	-172.8	0	0	0	0	111.2	E204 S205 S261 R272	E204-S267 WeakPolarHBondContact CA-O 3.37Å; S205-S267 PolarHBondContact N-O 2.92Å; S205-S267 PolarHBondContact O-N 3.38Å; S261-S267 WeakPolarHBondContact OG-CA 3.37Å; S267-R272 PolarHBondContact OG-NH2 3.2Å
268	W	87.1	Confident	88.4	Confident	24 Å²	24	31 Å²	31	9%	0.091	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.7	174.4	177.2	59.7	0	0	0	107.9	W87 F90 L91 I203 G270 R272	W87-W268 HydrophobicContact CB-CD2 4.35Å; W87-W268 HydrophobicContact CB-CZ2 4.04Å; F90-W268 HydrophobicContact CB-CD2 4.19Å; F90-W268 HydrophobicContact CB-CE3 3.3Å; F90-W268 HydrophobicContact CB-CZ3 3.59Å; F90-W268 HydrophobicContact CD1-CB 4.17Å; F90-W268 HydrophobicContact CD1-CE3 4.31Å; F90-W268 HydrophobicContact CD2-CB 4Å; F90-W268 HydrophobicContact CD2-CD2 4.38Å; F90-W268 HydrophobicContact CD2-CE3 4.27Å; F90-W268 HydrophobicContact CD2-CG 4.32Å; F90-W268 HydrophobicContact CE1-CB 4.07Å; F90-W268 HydrophobicContact CE2-CB 3.91Å; F90-W268 HydrophobicContact CG-CB 4.14Å; F90-W268 HydrophobicContact CG-CD2 4.28Å; F90-W268 AromaticContact CG-CE3 3.75Å; F90-W268 HydrophobicContact CG-CE3 3.75Å; F90-W268 HydrophobicContact CG-CG 4.49Å; F90-W268 HydrophobicContact CG-CZ3 4.5Å; F90-W268 HydrophobicContact CZ-CB 3.95Å; L91-W268 HydrophobicContact CB-CH2 4.24Å; I203-W268 WeakPolarHBondContact O-CA 3.38Å; I203-W268 VanDerWaalsContact O-CD1 3.27Å; W268-G270 VanDerWaalsContact CZ2-CA 3.46Å; W268-R272 PolarHBondContact O-NE 3.13Å
269	L	85.8	Confident	88.4	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.037	15%	0.152	C	C	.	.			trans	-68.1	-46.3	-178.4	-171.8	69.2	0	0	0	110.7	Y195 D198 I203 L271 R272	Y195-L269 HydrophobicContact CD2-CD1 3.79Å; Y195-L269 HydrophobicContact CE2-CD1 3.65Å; Y195-L269 HydrophobicContact CE2-CD2 4.4Å; Y195-L269 HydrophobicContact CE2-CG 3.97Å; D198-L269 HydrophobicContact CB-CD1 3.73Å; I203-L269 HydrophobicContact CD1-CB 4.47Å; I203-L269 HydrophobicContact CD1-CD2 3.86Å; I203-L269 PolarHBondContact O-N 3.12Å; L269-L271 PolarHBondContact O-N 2.72Å; L269-R272 WeakPolarHBondContact O-CB 3.49Å; L269-R272 WeakPolarHBondContact O-CD 3.43Å; L269-R272 WeakPolarHBondContact O-CG 3.18Å; L269-R272 PolarHBondContact O-N 3.41Å; L269-R272 VanDerWaalsContact O-N 3.14Å
270	G	86.5	Confident	88.4	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.01	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	41.3	-131.5	167.8	0	0	0	0	0	115.5	W268 R272 F273	W268-G270 VanDerWaalsContact CZ2-CA 3.46Å; G270-R272 VanDerWaalsContact C-N 3.28Å; G270-R272 PolarHBondContact O-N 3.32Å; G270-F273 WeakPolarHBondContact O-CD1 3.42Å; G270-F273 WeakPolarHBondContact O-CE1 3.09Å
271	L	91.4	Very high	88.3	Confident	33 Å²	33	30.9 Å²	30.9	17%	0.173	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-86.9	15.7	-177.3	-58.6	176.8	0	0	0	113.8	L91 F253 L269 F273 L274 L320	L91-L271 HydrophobicContact CD1-CD1 3.85Å; F253-L271 HydrophobicContact CB-CD1 4.4Å; F253-L271 HydrophobicContact CD1-CD1 3.46Å; F253-L271 VanDerWaalsContact CD1-CD1 3.46Å; F253-L271 HydrophobicContact CE1-CD1 3.93Å; F253-L271 HydrophobicContact CG-CD1 4.15Å; L269-L271 PolarHBondContact O-N 2.72Å; L271-F273 HydrophobicContact CD2-CE1 3.75Å; L271-F273 HydrophobicContact CD2-CZ 3.67Å; L271-F273 PolarHBondContact O-N 3.42Å; L271-F273 VanDerWaalsContact O-N 3.08Å; L271-L274 HydrophobicContact CB-CD1 3.96Å; L271-L274 HydrophobicContact CB-CG 4.42Å; L271-L274 WeakPolarHBondContact O-CB 3.33Å; L271-L274 WeakPolarHBondContact O-CG 3.45Å; L271-L274 PolarHBondContact O-N 3.31Å; L271-L320 HydrophobicContact CD2-CD2 4.15Å
272	R	92.1	Very high	88.3	Confident	16 Å²	16	34 Å²	34	6%	0.06	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26	178.5	-70.8	174.2	-173.7	-112.7	-12.7	112.8	Y195 D198 D218 S267 W268 L269 G270 L274 R275	Y195-R272 HydrophobicContact CD2-CB 3.51Å; Y195-R272 HydrophobicContact CE2-CB 4.21Å; Y195-R272 HydrophobicContact CG-CB 4.26Å; D198-R272 IonicContact OD2-CZ 2.72Å; D198-R272 IonicContact OD2-NE 3.69Å; D198-R272 IonicContact OD2-NH1 3.74Å; D198-R272 PolarHBondContact OD2-NH1 3.39Å; D218-R272 IonicContact OD2-CZ 2.69Å; D218-R272 IonicContact OD2-NH1 2.73Å; D218-R272 PolarHBondContact OD2-NH1 3.49Å; D218-R272 IonicContact OD2-NH2 2.63Å; S267-R272 PolarHBondContact OG-NH2 3.2Å; W268-R272 PolarHBondContact O-NE 3.13Å; L269-R272 WeakPolarHBondContact O-CB 3.49Å; L269-R272 WeakPolarHBondContact O-CD 3.43Å; L269-R272 WeakPolarHBondContact O-CG 3.18Å; L269-R272 PolarHBondContact O-N 3.41Å; L269-R272 VanDerWaalsContact O-N 3.14Å; G270-R272 VanDerWaalsContact C-N 3.28Å; G270-R272 PolarHBondContact O-N 3.32Å; R272-L274 PolarHBondContact O-N 2.93Å; R272-R275 VanDerWaalsContact O-CB 3.32Å; R272-R275 WeakPolarHBondContact O-CB 3.39Å; R272-R275 WeakPolarHBondContact O-CD 3.45Å; R272-R275 WeakPolarHBondContact O-CG 3.21Å; R272-R275 PolarHBondContact O-N 3.32Å; R272-R275 VanDerWaalsContact O-N 3.14Å
273	F	92.8	Very high	88.3	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.026	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-60.3	-24	176.1	63.3	-97.8	0	0	0	114.2	Y195 G270 L271 R275 A276 T313 G316 F317 L320	Y195-F273 HydrophobicContact CE1-CB 3.83Å; Y195-F273 HydrophobicContact CE2-CB 3.99Å; G270-F273 WeakPolarHBondContact O-CD1 3.42Å; G270-F273 WeakPolarHBondContact O-CE1 3.09Å; L271-F273 HydrophobicContact CD2-CE1 3.75Å; L271-F273 HydrophobicContact CD2-CZ 3.67Å; L271-F273 PolarHBondContact O-N 3.42Å; L271-F273 VanDerWaalsContact O-N 3.08Å; F273-R275 PolarHBondContact O-N 3.03Å; F273-A276 WeakPolarHBondContact O-CB 3.39Å; F273-A276 PolarHBondContact O-N 3.37Å; F273-T313 HydrophobicContact CD2-CG2 3.97Å; F273-T313 WeakPolarHBondContact CD2-O 3.27Å; F273-T313 HydrophobicContact CE2-CG2 4.15Å; F273-G316 WeakPolarHBondContact CD1-O 3.09Å; F273-F317 HydrophobicContact CE2-CB 4.03Å; F273-F317 HydrophobicContact CE2-CD2 4.49Å; F273-F317 HydrophobicContact CZ-CB 4Å; F273-F317 AromaticContact CZ-CD2 3.96Å; F273-F317 HydrophobicContact CZ-CD2 3.96Å; F273-F317 HydrophobicContact CZ-CG 4.47Å; F273-L320 HydrophobicContact CE1-CB 4.29Å; F273-L320 HydrophobicContact CE1-CD2 4.01Å
274	L	93.2	Very high	88.2	Confident	27 Å²	27	27.7 Å²	27.7	14%	0.141	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.6	-17.3	176.2	-65.7	175.6	0	0	0	112.8	V250 F253 T254 L271 R272 A276 L277 T313	V250-L274 HydrophobicContact CG1-CB 4.48Å; V250-L274 WeakPolarHBondContact CG1-O 3.27Å; F253-L274 HydrophobicContact CB-CD1 3.53Å; F253-L274 HydrophobicContact CD2-CD1 4.22Å; F253-L274 HydrophobicContact CG-CD1 4.01Å; T254-L274 HydrophobicContact CG2-CB 4.27Å; L271-L274 HydrophobicContact CB-CD1 3.96Å; L271-L274 HydrophobicContact CB-CG 4.42Å; L271-L274 WeakPolarHBondContact O-CB 3.33Å; L271-L274 WeakPolarHBondContact O-CG 3.45Å; L271-L274 PolarHBondContact O-N 3.31Å; R272-L274 PolarHBondContact O-N 2.93Å; L274-A276 PolarHBondContact O-N 3.39Å; L274-L277 HydrophobicContact CD2-CD1 4.03Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 2.89Å; L274-T313 HydrophobicContact CD2-CG2 4.06Å
275	R	92.9	Very high	88.3	Confident	1 Å²	1	25.2 Å²	25.2	0%	0.004	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-54.7	-28.8	169.7	-66.3	172.1	-177.7	-168.7	-0.3	112.5	A191 D218 N222 T254 R272 F273 L277 R278	A191-R275 VanDerWaalsContact O-CD 3.23Å; A191-R275 WeakPolarHBondContact O-CD 3.33Å; A191-R275 PolarHBondContact O-NH1 2.77Å; D218-R275 VanDerWaalsContact CG-NH2 3.28Å; D218-R275 IonicContact OD1-CZ 3.29Å; D218-R275 IonicContact OD1-NH1 3.45Å; D218-R275 PolarHBondContact OD1-NH1 2.73Å; D218-R275 IonicContact OD1-NH2 2.99Å; D218-R275 PolarHBondContact OD1-NH2 3.48Å; D218-R275 IonicContact OD2-CZ 2.73Å; D218-R275 IonicContact OD2-NH1 2.85Å; D218-R275 IonicContact OD2-NH2 2.71Å; D218-R275 PolarHBondContact OD2-NH2 3.39Å; N222-R275 PolarHBondContact ND2-NH2 3.12Å; T254-R275 HydrophobicContact CG2-CG 3.75Å; R272-R275 VanDerWaalsContact O-CB 3.32Å; R272-R275 WeakPolarHBondContact O-CB 3.39Å; R272-R275 WeakPolarHBondContact O-CD 3.45Å; R272-R275 WeakPolarHBondContact O-CG 3.21Å; R272-R275 PolarHBondContact O-N 3.32Å; R272-R275 VanDerWaalsContact O-N 3.14Å; F273-R275 PolarHBondContact O-N 3.03Å; R275-L277 VanDerWaalsContact C-N 3.25Å; R275-L277 PolarHBondContact O-N 3.37Å; R275-R278 WeakPolarHBondContact O-CB 3.49Å; R275-R278 PolarHBondContact O-N 2.9Å; R275-R278 VanDerWaalsContact O-N 3.17Å
276	A	92.9	Very high	88.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-64.6	-25.5	176.3	0	0	0	0	0	113.5	L192 F273 L274 R278 L279 S309 L312	L192-A276 HydrophobicContact CD1-CB 3.84Å; L192-A276 HydrophobicContact CD2-CB 4.34Å; F273-A276 WeakPolarHBondContact O-CB 3.39Å; F273-A276 PolarHBondContact O-N 3.37Å; L274-A276 PolarHBondContact O-N 3.39Å; A276-R278 PolarHBondContact O-N 3.44Å; A276-L279 WeakPolarHBondContact O-CB 3.22Å; A276-L279 WeakPolarHBondContact O-CG 3.39Å; A276-L279 PolarHBondContact O-N 3.2Å; A276-S309 VanDerWaalsContact O-CB 3.3Å; A276-S309 WeakPolarHBondContact O-CB 3.33Å; A276-L312 HydrophobicContact CB-CB 3.92Å
277	L	92.4	Very high	88.7	Confident	30 Å²	30	26.9 Å²	26.9	16%	0.157	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-66.7	-22.7	174.8	-65.5	178.9	0	0	0	113	V246 V250 L274 R275 L279 I280 T313	V246-L277 HydrophobicContact CG1-CD1 4.42Å; V250-L277 HydrophobicContact CG2-CB 3.78Å; V250-L277 HydrophobicContact CG2-CD1 3.95Å; V250-L277 HydrophobicContact CG2-CG 4.46Å; L274-L277 HydrophobicContact CD2-CD1 4.03Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 2.89Å; R275-L277 VanDerWaalsContact C-N 3.25Å; R275-L277 PolarHBondContact O-N 3.37Å; L277-L279 PolarHBondContact O-N 3.02Å; L277-L279 VanDerWaalsContact O-N 3.15Å; L277-I280 HydrophobicContact CD2-CD1 4.21Å; L277-I280 WeakPolarHBondContact O-CB 3.31Å; L277-I280 VanDerWaalsContact O-CG1 3.29Å; L277-I280 WeakPolarHBondContact O-CG1 3.42Å; L277-I280 PolarHBondContact O-N 2.89Å; L277-I280 VanDerWaalsContact O-N 3.08Å; L277-T313 HydrophobicContact CD1-CG2 4.23Å; L277-T313 HydrophobicContact CD2-CG2 3.97Å; L277-T313 VanDerWaalsContact CD2-OG1 3.3Å; L277-T313 WeakPolarHBondContact CD2-OG1 3.13Å; L277-T313 HydrophobicContact CG-CG2 3.95Å; L277-T313 WeakPolarHBondContact CG-OG1 3.26Å
278	R	90.3	Very high	88.7	Confident	15 Å²	15	30 Å²	30	6%	0.057	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-63.6	-17.7	174.4	-63	-166.5	-177.3	135.9	-0.3	113	S188 F225 V250 D251 T254 R275 A276 I280 Q281	S188-R278 WeakPolarHBondContact OG-CD 3.37Å; F225-R278 VanDerWaalsContact CD2-NH1 3.26Å; V250-R278 HydrophobicContact CG1-CG 3.95Å; D251-R278 IonicContact OD1-CZ 3.18Å; D251-R278 IonicContact OD1-NE 3.36Å; D251-R278 PolarHBondContact OD1-NE 3.5Å; D251-R278 IonicContact OD1-NH2 3.98Å; D251-R278 PolarHBondContact OD1-NH2 2.94Å; T254-R278 PolarHBondContact OG1-NH2 3.32Å; R275-R278 WeakPolarHBondContact O-CB 3.49Å; R275-R278 PolarHBondContact O-N 2.9Å; R275-R278 VanDerWaalsContact O-N 3.17Å; A276-R278 PolarHBondContact O-N 3.44Å; R278-I280 PolarHBondContact O-N 2.96Å; R278-Q281 PolarHBondContact O-N 3.29Å
279	L	89.6	Confident	88.3	Confident	30 Å²	30	31 Å²	31	16%	0.157	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-63.9	-20.8	173.2	-62.6	176.9	0	0	0	113	I189 L192 A276 L277 Q281 F282 S305 I308 L312	I189-L279 HydrophobicContact CG1-CD2 4.29Å; L192-L279 HydrophobicContact CD2-CD1 3.87Å; L192-L279 HydrophobicContact CD2-CG 4.3Å; A276-L279 WeakPolarHBondContact O-CB 3.22Å; A276-L279 WeakPolarHBondContact O-CG 3.39Å; A276-L279 PolarHBondContact O-N 3.2Å; L277-L279 PolarHBondContact O-N 3.02Å; L277-L279 VanDerWaalsContact O-N 3.15Å; L279-Q281 PolarHBondContact O-N 2.89Å; L279-F282 WeakPolarHBondContact O-CB 3.46Å; L279-F282 PolarHBondContact O-N 3.37Å; L279-S305 WeakPolarHBondContact O-CB 3.43Å; L279-I308 HydrophobicContact CD1-CG2 4.26Å; L279-L312 HydrophobicContact CD1-CD1 4.2Å
280	I	89.6	Confident	88.1	Confident	52 Å²	52	35.3 Å²	35.3	27%	0.267	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-58	-36.4	175.7	-63.6	171.4	0	0	0	111	L277 R278 F282 S283 I306 S309	L277-I280 HydrophobicContact CD2-CD1 4.21Å; L277-I280 WeakPolarHBondContact O-CB 3.31Å; L277-I280 VanDerWaalsContact O-CG1 3.29Å; L277-I280 WeakPolarHBondContact O-CG1 3.42Å; L277-I280 PolarHBondContact O-N 2.89Å; L277-I280 VanDerWaalsContact O-N 3.08Å; R278-I280 PolarHBondContact O-N 2.96Å; I280-F282 PolarHBondContact O-N 3.06Å; I280-S283 PolarHBondContact O-OG 3.41Å; I280-I306 HydrophobicContact CG2-CG1 4.39Å; I280-S309 WeakPolarHBondContact CG1-OG 3.41Å
281	Q	86.3	Confident	88.2	Confident	20 Å²	20	40.5 Å²	40.5	9%	0.093	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.8	-6.8	179.5	-59.7	-170.6	-59.6	0	0	113.8	N247 R278 L279 S283 E284 I285	N247-Q281 PolarHBondContact ND2-NE2 3.26Å; R278-Q281 PolarHBondContact O-N 3.29Å; L279-Q281 PolarHBondContact O-N 2.89Å; Q281-S283 VanDerWaalsContact C-N 3.34Å; Q281-S283 PolarHBondContact O-N 2.64Å; Q281-E284 PolarHBondContact O-N 2.83Å; Q281-I285 HydrophobicContact CB-CD1 3.91Å; Q281-I285 HydrophobicContact CB-CG1 4.37Å; Q281-I285 WeakPolarHBondContact O-CB 3.41Å; Q281-I285 WeakPolarHBondContact O-CG1 3.46Å; Q281-I285 PolarHBondContact O-N 3.21Å
282	F	86	Confident	88	Confident	66 Å²	66	40 Å²	40	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-61.8	-37.3	-174.4	179.1	-139.6	0	0	0	113.6	F185 L279 I280 L286 V301	F185-F282 HydrophobicContact CD2-CD2 4.01Å; F185-F282 HydrophobicContact CE1-CD2 4.22Å; F185-F282 AromaticContact CE1-CE2 3.92Å; F185-F282 HydrophobicContact CE1-CE2 3.92Å; F185-F282 HydrophobicContact CE2-CB 4.13Å; F185-F282 AromaticContact CE2-CD2 3.16Å; F185-F282 HydrophobicContact CE2-CD2 3.16Å; F185-F282 AromaticContact CE2-CE2 3.66Å; F185-F282 HydrophobicContact CE2-CE2 3.66Å; F185-F282 AromaticContact CE2-CG 3.84Å; F185-F282 HydrophobicContact CE2-CG 3.84Å; F185-F282 AromaticContact CZ-CD2 3.28Å; F185-F282 HydrophobicContact CZ-CD2 3.28Å; F185-F282 AromaticContact CZ-CE2 3.2Å; F185-F282 HydrophobicContact CZ-CE2 3.2Å; F185-F282 HydrophobicContact CZ-CG 4.2Å; F185-F282 HydrophobicContact CZ-CZ 4.08Å; L279-F282 WeakPolarHBondContact O-CB 3.46Å; L279-F282 PolarHBondContact O-N 3.37Å; I280-F282 PolarHBondContact O-N 3.06Å; F282-L286 HydrophobicContact CD2-CD1 3.88Å; F282-L286 HydrophobicContact CD2-CG 3.87Å; F282-L286 HydrophobicContact CE1-CD1 4.1Å; F282-L286 HydrophobicContact CE2-CD1 3.39Å; F282-L286 HydrophobicContact CE2-CD2 3.99Å; F282-L286 HydrophobicContact CE2-CG 3.6Å; F282-L286 HydrophobicContact CG-CD1 4.45Å; F282-L286 HydrophobicContact CZ-CD1 3.52Å; F282-L286 HydrophobicContact CZ-CG 4.27Å; F282-L286 WeakPolarHBondContact O-CB 3.16Å; F282-L286 WeakPolarHBondContact O-CG 3.01Å; F282-L286 PolarHBondContact O-N 3.37Å; F282-V301 HydrophobicContact CD1-CG1 3.93Å; F282-V301 HydrophobicContact CE1-CG1 4.15Å
283	S	87	Confident	87.6	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-47.5	176.3	49.3	0	0	0	0	111.6	I280 Q281 L286 Q287 N302	I280-S283 PolarHBondContact O-OG 3.41Å; Q281-S283 VanDerWaalsContact C-N 3.34Å; Q281-S283 PolarHBondContact O-N 2.64Å; S283-L286 PolarHBondContact O-N 3.44Å; S283-Q287 WeakPolarHBondContact O-CB 3.36Å; S283-Q287 PolarHBondContact O-N 2.78Å; S283-N302 PolarHBondContact OG-OD1 3.14Å
284	E	85.6	Confident	87.2	Confident	89 Å²	89	50.9 Å²	50.9	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-45.5	177	-175.8	179.1	-159.1	0	0	111.7	Q281 L286 Q287 F288	Q281-E284 PolarHBondContact O-N 2.83Å; E284-L286 PolarHBondContact O-N 3.29Å; E284-Q287 WeakPolarHBondContact O-CB 3.43Å; E284-Q287 PolarHBondContact O-N 2.68Å; E284-Q287 VanDerWaalsContact O-N 3.15Å; E284-F288 HydrophobicContact CG-CD2 4.26Å; E284-F288 HydrophobicContact CG-CE1 4.23Å; E284-F288 HydrophobicContact CG-CE2 3.58Å; E284-F288 HydrophobicContact CG-CZ 3.56Å; E284-F288 WeakPolarHBondContact O-CG 3.39Å; E284-F288 PolarHBondContact O-N 3.17Å; E284-F288 WeakPolarHBondContact OE1-CZ 3.07Å
285	I	85.6	Confident	86.9	Confident	12 Å²	12	54 Å²	54	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-45.3	177.6	-71.8	171.1	0	0	0	111.5	V181 F185 Q281 Q287 F288 L289	V181-I285 HydrophobicContact CG1-CB 4.27Å; V181-I285 HydrophobicContact CG1-CG1 3.98Å; V181-I285 HydrophobicContact CG1-CG2 3.79Å; F185-I285 HydrophobicContact CB-CD1 4.17Å; F185-I285 HydrophobicContact CB-CG2 4.17Å; F185-I285 HydrophobicContact CD2-CD1 4.34Å; F185-I285 HydrophobicContact CG-CG2 4.37Å; Q281-I285 HydrophobicContact CB-CD1 3.91Å; Q281-I285 HydrophobicContact CB-CG1 4.37Å; Q281-I285 WeakPolarHBondContact O-CB 3.41Å; Q281-I285 WeakPolarHBondContact O-CG1 3.46Å; Q281-I285 PolarHBondContact O-N 3.21Å; I285-Q287 VanDerWaalsContact C-N 3.29Å; I285-Q287 PolarHBondContact O-N 3.41Å; I285-F288 PolarHBondContact O-N 2.92Å; I285-L289 HydrophobicContact CG2-CD1 4.15Å; I285-L289 VanDerWaalsContact O-CG 3.31Å; I285-L289 WeakPolarHBondContact O-CG 3.49Å; I285-L289 PolarHBondContact O-N 3.25Å
286	L	86.1	Confident	86.6	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-68.9	-26.3	176.3	-72.5	179.2	0	0	0	113.3	F282 S283 E284 N290 I291 L292 V301	F282-L286 HydrophobicContact CD2-CD1 3.88Å; F282-L286 HydrophobicContact CD2-CG 3.87Å; F282-L286 HydrophobicContact CE1-CD1 4.1Å; F282-L286 HydrophobicContact CE2-CD1 3.39Å; F282-L286 HydrophobicContact CE2-CD2 3.99Å; F282-L286 HydrophobicContact CE2-CG 3.6Å; F282-L286 HydrophobicContact CG-CD1 4.45Å; F282-L286 HydrophobicContact CZ-CD1 3.52Å; F282-L286 HydrophobicContact CZ-CG 4.27Å; F282-L286 WeakPolarHBondContact O-CB 3.16Å; F282-L286 WeakPolarHBondContact O-CG 3.01Å; F282-L286 PolarHBondContact O-N 3.37Å; S283-L286 PolarHBondContact O-N 3.44Å; E284-L286 PolarHBondContact O-N 3.29Å; L286-N290 PolarHBondContact O-N 2.71Å; L286-I291 HydrophobicContact CD2-CB 4.31Å; L286-I291 HydrophobicContact CD2-CD1 3.69Å; L286-I291 HydrophobicContact CD2-CG2 4.35Å; L286-I291 PolarHBondContact O-N 3.36Å; L286-L292 HydrophobicContact CB-CD1 3.63Å; L286-L292 HydrophobicContact CB-CG 3.79Å; L286-L292 HydrophobicContact CD1-CD1 3.96Å; L286-L292 HydrophobicContact CD1-CG 4.25Å; L286-L292 HydrophobicContact CG-CD1 4.48Å; L286-L292 PolarHBondContact O-N 2.88Å; L286-V301 HydrophobicContact CD1-CG1 4.29Å
287	Q	85.9	Confident	86.3	Confident	95 Å²	95	59.5 Å²	59.5	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-71.5	-44.8	172.4	-173.1	177.3	-5.2	0	0	111.1	S283 E284 I285 L289 N290 I298	S283-Q287 WeakPolarHBondContact O-CB 3.36Å; S283-Q287 PolarHBondContact O-N 2.78Å; E284-Q287 WeakPolarHBondContact O-CB 3.43Å; E284-Q287 PolarHBondContact O-N 2.68Å; E284-Q287 VanDerWaalsContact O-N 3.15Å; I285-Q287 VanDerWaalsContact C-N 3.29Å; I285-Q287 PolarHBondContact O-N 3.41Å; Q287-L289 PolarHBondContact O-N 3.34Å; Q287-N290 WeakPolarHBondContact O-CA 3.24Å; Q287-N290 PolarHBondContact O-N 2.8Å; Q287-I298 HydrophobicContact CG-CD1 4.45Å
288	F	82.8	Confident	86.1	Confident	70 Å²	70	60 Å²	60	31%	0.307	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-35.9	172.7	-69	-24.4	0	0	0	112.8	A172 E284 I285 N290	A172-F288 HydrophobicContact CB-CB 3.82Å; A172-F288 HydrophobicContact CB-CG 4.24Å; E284-F288 HydrophobicContact CG-CD2 4.26Å; E284-F288 HydrophobicContact CG-CE1 4.23Å; E284-F288 HydrophobicContact CG-CE2 3.58Å; E284-F288 HydrophobicContact CG-CZ 3.56Å; E284-F288 WeakPolarHBondContact O-CG 3.39Å; E284-F288 PolarHBondContact O-N 3.17Å; E284-F288 WeakPolarHBondContact OE1-CZ 3.07Å; I285-F288 PolarHBondContact O-N 2.92Å; F288-N290 PolarHBondContact O-N 2.76Å; F288-N290 PolarHBondContact O-ND2 2.95Å
289	L	80.1	Confident	86.2	Confident	47 Å²	47	63.5 Å²	63.5	25%	0.246	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.5	174.3	-63.6	171	0	0	0	113.9	R178 V182 I285 Q287 I291	R178-L289 HydrophobicContact CB-CD2 4.33Å; R178-L289 HydrophobicContact CG-CD2 4.48Å; V182-L289 HydrophobicContact CG2-CD1 3.78Å; V182-L289 HydrophobicContact CG2-CD2 3.78Å; V182-L289 HydrophobicContact CG2-CG 4.43Å; I285-L289 HydrophobicContact CG2-CD1 4.15Å; I285-L289 VanDerWaalsContact O-CG 3.31Å; I285-L289 WeakPolarHBondContact O-CG 3.49Å; I285-L289 PolarHBondContact O-N 3.25Å; Q287-L289 PolarHBondContact O-N 3.34Å; L289-I291 HydrophobicContact CB-CD1 3.91Å; L289-I291 HydrophobicContact CB-CG1 4.13Å; L289-I291 HydrophobicContact CD1-CD1 4.39Å; L289-I291 PolarHBondContact O-N 3.04Å
290	N	82	Confident	86.3	Confident	97 Å²	97	63.8 Å²	63.8	52%	0.519	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	24.6	-178.6	-71.3	-99	0	0	0	114.3	L286 Q287 F288 K293	L286-N290 PolarHBondContact O-N 2.71Å; Q287-N290 WeakPolarHBondContact O-CA 3.24Å; Q287-N290 PolarHBondContact O-N 2.8Å; F288-N290 PolarHBondContact O-N 2.76Å; F288-N290 PolarHBondContact O-ND2 2.95Å; N290-K293 WeakPolarHBondContact O-CE 3.45Å
291	I	87	Confident	86.4	Confident	110 Å²	110	62.6 Å²	62.6	56%	0.564	32%	0.321	S	S	*	.			trans	-81.3	-46.8	177.2	-65.5	168.2	0	0	0	109.5	L286 L289	L286-I291 HydrophobicContact CD2-CB 4.31Å; L286-I291 HydrophobicContact CD2-CD1 3.69Å; L286-I291 HydrophobicContact CD2-CG2 4.35Å; L286-I291 PolarHBondContact O-N 3.36Å; L289-I291 HydrophobicContact CB-CD1 3.91Å; L289-I291 HydrophobicContact CB-CG1 4.13Å; L289-I291 HydrophobicContact CD1-CD1 4.39Å; L289-I291 PolarHBondContact O-N 3.04Å
292	L	87.8	Confident	86.7	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.11	33%	0.332	C	S	.	.			trans	-89	113.3	175	-60.4	174.8	0	0	0	110	L286 I298 V301	L286-L292 HydrophobicContact CB-CD1 3.63Å; L286-L292 HydrophobicContact CB-CG 3.79Å; L286-L292 HydrophobicContact CD1-CD1 3.96Å; L286-L292 HydrophobicContact CD1-CG 4.25Å; L286-L292 HydrophobicContact CG-CD1 4.48Å; L286-L292 PolarHBondContact O-N 2.88Å; L292-I298 HydrophobicContact CB-CG1 3.72Å; L292-V301 HydrophobicContact CD1-CB 3.83Å; L292-V301 HydrophobicContact CD1-CG1 4.02Å; L292-V301 HydrophobicContact CD1-CG2 3.9Å; L292-V301 HydrophobicContact CD2-CG2 3.93Å
293	K	83.1	Confident	87	Confident	169 Å²	169	61.9 Å²	61.9	74%	0.735	32%	0.321	S	S	*	.			trans	-115.6	-20.3	-175.1	-63.2	-175.1	-178.2	-179.9	0	114.7	N290	N290-K293 WeakPolarHBondContact O-CE 3.45Å
294	T	85	Confident	87.3	Confident	82 Å²	82	64.4 Å²	64.4	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	-106.4	144.9	-177.9	76.4	0	0	0	0	110.8	N296 S297 I298	T294-N296 VanDerWaalsContact C-N 3.27Å; T294-N296 PolarHBondContact O-N 3.13Å; T294-S297 PolarHBondContact N-OG 3.21Å; T294-S297 PolarHBondContact O-N 2.97Å; T294-S297 PolarHBondContact O-OG 2.95Å; T294-S297 VanDerWaalsContact OG1-CB 3.31Å; T294-S297 WeakPolarHBondContact OG1-CB 3.36Å; T294-S297 PolarHBondContact OG1-N 3.35Å; T294-S297 VanDerWaalsContact OG1-N 3.15Å; T294-S297 PolarHBondContact OG1-OG 2.94Å; T294-I298 WeakPolarHBondContact O-CG1 3.41Å; T294-I298 PolarHBondContact O-N 3.12Å
295	S	87	Confident	87.6	Confident	92 Å²	92	60.5 Å²	60.5	64%	0.643	32%	0.316	S	S	*	.	H	α-helix	trans	-51.7	-46.4	177	-173.7	0	0	0	0	111.8	S297 I298 K299	S295-S297 PolarHBondContact O-N 3.18Å; S295-I298 PolarHBondContact O-N 3.25Å; S295-K299 VanDerWaalsContact O-CB 3.31Å; S295-K299 WeakPolarHBondContact O-CB 3.27Å; S295-K299 PolarHBondContact O-N 3.39Å
296	N	85.7	Confident	87.9	Confident	88 Å²	88	61.7 Å²	61.7	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-42.2	177.7	-62.4	21.4	0	0	0	112.3	T294 L300 L390	T294-N296 VanDerWaalsContact C-N 3.27Å; T294-N296 PolarHBondContact O-N 3.13Å; N296-L300 WeakPolarHBondContact O-CB 3.24Å; N296-L300 PolarHBondContact O-N 2.84Å; N296-L390 HydrophobicContact CB-CD2 4Å
297	S	86.9	Confident	88.2	Confident	30 Å²	30	61.6 Å²	61.6	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-68.5	-38.7	177.8	67.2	0	0	0	0	112.9	T294 S295 V301	T294-S297 PolarHBondContact N-OG 3.21Å; T294-S297 PolarHBondContact O-N 2.97Å; T294-S297 PolarHBondContact O-OG 2.95Å; T294-S297 VanDerWaalsContact OG1-CB 3.31Å; T294-S297 WeakPolarHBondContact OG1-CB 3.36Å; T294-S297 PolarHBondContact OG1-N 3.35Å; T294-S297 VanDerWaalsContact OG1-N 3.15Å; T294-S297 PolarHBondContact OG1-OG 2.94Å; S295-S297 PolarHBondContact O-N 3.18Å; S297-V301 WeakPolarHBondContact O-CG2 3.4Å; S297-V301 PolarHBondContact O-N 3.31Å; S297-V301 VanDerWaalsContact O-N 3.12Å
298	I	89.8	Confident	88.6	Confident	41 Å²	41	60.2 Å²	60.2	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-47.7	176.3	-64.6	166.4	0	0	0	109.6	Q287 L292 T294 S295 V301 N302	Q287-I298 HydrophobicContact CG-CD1 4.45Å; L292-I298 HydrophobicContact CB-CG1 3.72Å; T294-I298 WeakPolarHBondContact O-CG1 3.41Å; T294-I298 PolarHBondContact O-N 3.12Å; S295-I298 PolarHBondContact O-N 3.25Å; I298-V301 PolarHBondContact O-N 3.19Å; I298-N302 VanDerWaalsContact O-CB 3.25Å; I298-N302 WeakPolarHBondContact O-CB 3.12Å; I298-N302 PolarHBondContact O-N 3.06Å
299	K	90.9	Very high	89.1	Confident	88 Å²	88	56.9 Å²	56.9	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-47	178.5	-170.7	177.7	179.3	-173.1	0	111.9	S295 N302 L303 E386 L390	S295-K299 VanDerWaalsContact O-CB 3.31Å; S295-K299 WeakPolarHBondContact O-CB 3.27Å; S295-K299 PolarHBondContact O-N 3.39Å; K299-N302 PolarHBondContact O-N 3.49Å; K299-L303 HydrophobicContact CG-CD1 4.05Å; K299-L303 HydrophobicContact CG-CG 4.5Å; K299-L303 VanDerWaalsContact O-CG 3.31Å; K299-L303 WeakPolarHBondContact O-CG 3.33Å; K299-L303 PolarHBondContact O-N 2.94Å; K299-E386 WeakPolarHBondContact CE-OE1 3.22Å; K299-E386 WeakPolarHBondContact CE-OE2 3.45Å; K299-E386 VanDerWaalsContact NZ-CD 3.32Å; K299-E386 IonicContact NZ-OE1 2.65Å; K299-E386 PolarHBondContact NZ-OE1 3.47Å; K299-E386 IonicContact NZ-OE2 3.2Å; K299-L390 HydrophobicContact CB-CD1 4.37Å; K299-L390 HydrophobicContact CD-CD1 4.18Å; K299-L390 HydrophobicContact CG-CD1 4.08Å
300	L	91.6	Very high	89.6	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-49.6	178.1	176.9	60.3	0	0	0	111.9	N296 N302 L303 L304 I387 L390 I391	N296-L300 WeakPolarHBondContact O-CB 3.24Å; N296-L300 PolarHBondContact O-N 2.84Å; L300-N302 VanDerWaalsContact C-N 3.33Å; L300-N302 PolarHBondContact O-N 2.95Å; L300-L303 PolarHBondContact O-N 2.91Å; L300-L304 HydrophobicContact CD1-CD1 3.93Å; L300-L304 HydrophobicContact CD1-CG 4.34Å; L300-L304 HydrophobicContact CG-CD1 4.03Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.41Å; L300-L304 PolarHBondContact O-N 2.86Å; L300-I387 HydrophobicContact CD1-CB 4.4Å; L300-I387 HydrophobicContact CD1-CG1 4.3Å; L300-I387 HydrophobicContact CD1-CG2 3.99Å; L300-L390 HydrophobicContact CB-CB 4.45Å; L300-L390 HydrophobicContact CB-CD1 4.18Å; L300-L390 HydrophobicContact CD1-CB 4.25Å; L300-I391 HydrophobicContact CD1-CD1 4.26Å; L300-I391 HydrophobicContact CD1-CG1 4.05Å; L300-I391 HydrophobicContact CD2-CG1 4.04Å
301	V	92.5	Very high	90.2	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-37.9	178	175.6	0	0	0	0	111	F282 L286 L292 S297 I298 L304 S305	F282-V301 HydrophobicContact CD1-CG1 3.93Å; F282-V301 HydrophobicContact CE1-CG1 4.15Å; L286-V301 HydrophobicContact CD1-CG1 4.29Å; L292-V301 HydrophobicContact CD1-CB 3.83Å; L292-V301 HydrophobicContact CD1-CG1 4.02Å; L292-V301 HydrophobicContact CD1-CG2 3.9Å; L292-V301 HydrophobicContact CD2-CG2 3.93Å; S297-V301 WeakPolarHBondContact O-CG2 3.4Å; S297-V301 PolarHBondContact O-N 3.31Å; S297-V301 VanDerWaalsContact O-N 3.12Å; I298-V301 PolarHBondContact O-N 3.19Å; V301-L304 PolarHBondContact O-N 3.37Å; V301-S305 VanDerWaalsContact O-CB 3.32Å; V301-S305 WeakPolarHBondContact O-CB 3.17Å; V301-S305 PolarHBondContact O-N 3.29Å; V301-S305 PolarHBondContact O-OG 3.27Å
302	N	92.3	Very high	90.6	Very high	59 Å²	59	50 Å²	50	32%	0.316	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-46.9	177.7	-165	47.1	0	0	0	112.7	S283 I298 K299 L300 S305 I306	S283-N302 PolarHBondContact OG-OD1 3.14Å; I298-N302 VanDerWaalsContact O-CB 3.25Å; I298-N302 WeakPolarHBondContact O-CB 3.12Å; I298-N302 PolarHBondContact O-N 3.06Å; K299-N302 PolarHBondContact O-N 3.49Å; L300-N302 VanDerWaalsContact C-N 3.33Å; L300-N302 PolarHBondContact O-N 2.95Å; N302-S305 PolarHBondContact O-N 3Å; N302-I306 VanDerWaalsContact O-CG1 3.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.43Å; N302-I306 PolarHBondContact O-N 3.04Å
303	L	92.6	Very high	91	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.063	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-45.9	176.5	-69.4	166.6	0	0	0	111.5	K299 L300 I306 F307 Y383 E386 I387 L390	K299-L303 HydrophobicContact CG-CD1 4.05Å; K299-L303 HydrophobicContact CG-CG 4.5Å; K299-L303 VanDerWaalsContact O-CG 3.31Å; K299-L303 WeakPolarHBondContact O-CG 3.33Å; K299-L303 PolarHBondContact O-N 2.94Å; L300-L303 PolarHBondContact O-N 2.91Å; L303-I306 PolarHBondContact O-N 3Å; L303-F307 VanDerWaalsContact O-CB 3.23Å; L303-F307 WeakPolarHBondContact O-CB 3.45Å; L303-F307 PolarHBondContact O-N 3.07Å; L303-Y383 HydrophobicContact CD2-CD1 3.67Å; L303-Y383 HydrophobicContact CD2-CD2 4.38Å; L303-Y383 HydrophobicContact CD2-CE1 3.83Å; L303-Y383 HydrophobicContact CD2-CG 3.97Å; L303-E386 HydrophobicContact CD1-CB 4.34Å; L303-E386 HydrophobicContact CD1-CG 3.82Å; L303-E386 VanDerWaalsContact CD1-OE2 3.25Å; L303-E386 WeakPolarHBondContact CD1-OE2 3.43Å; L303-I387 HydrophobicContact CB-CD1 4.11Å; L303-I387 HydrophobicContact CB-CG1 3.96Å; L303-I387 HydrophobicContact CD1-CG1 4.3Å; L303-L390 HydrophobicContact CD1-CD1 3.93Å
304	L	92.3	Very high	91.5	Very high	63 Å²	63	42.3 Å²	42.3	33%	0.33	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-44.4	175.9	-73.3	167.6	0	0	0	111.8	L300 V301 F307 I308 I387	L300-L304 HydrophobicContact CD1-CD1 3.93Å; L300-L304 HydrophobicContact CD1-CG 4.34Å; L300-L304 HydrophobicContact CG-CD1 4.03Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.41Å; L300-L304 PolarHBondContact O-N 2.86Å; V301-L304 PolarHBondContact O-N 3.37Å; L304-F307 PolarHBondContact O-N 3.29Å; L304-I308 WeakPolarHBondContact O-CB 3.34Å; L304-I308 WeakPolarHBondContact O-CD1 3.46Å; L304-I308 VanDerWaalsContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG1 3.22Å; L304-I308 PolarHBondContact O-N 2.8Å; L304-I387 HydrophobicContact CD2-CD1 3.96Å; L304-I387 HydrophobicContact CD2-CG2 4.29Å; L304-I387 HydrophobicContact CG-CD1 4.29Å
305	S	92	Very high	92	Very high	6 Å²	6	38.4 Å²	38.4	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-49.1	178.5	-67.1	0	0	0	0	112.1	L279 V301 N302 S309	L279-S305 WeakPolarHBondContact O-CB 3.43Å; V301-S305 VanDerWaalsContact O-CB 3.32Å; V301-S305 WeakPolarHBondContact O-CB 3.17Å; V301-S305 PolarHBondContact O-N 3.29Å; V301-S305 PolarHBondContact O-OG 3.27Å; N302-S305 PolarHBondContact O-N 3Å; S305-S309 WeakPolarHBondContact O-CB 3.4Å; S305-S309 PolarHBondContact O-N 3.26Å; S305-S309 PolarHBondContact O-OG 3.45Å
306	I	92.3	Very high	92.4	Very high	38 Å²	38	34 Å²	34	20%	0.195	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-41.7	179.8	-63.1	165.4	0	0	0	111	I280 N302 L303 S309 T310 Y383	I280-I306 HydrophobicContact CG2-CG1 4.39Å; N302-I306 VanDerWaalsContact O-CG1 3.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.43Å; N302-I306 PolarHBondContact O-N 3.04Å; L303-I306 PolarHBondContact O-N 3Å; I306-S309 PolarHBondContact O-OG 2.95Å; I306-S309 VanDerWaalsContact O-OG 3.07Å; I306-T310 VanDerWaalsContact O-CB 3.26Å; I306-T310 WeakPolarHBondContact O-CB 3.47Å; I306-T310 PolarHBondContact O-N 3.37Å; I306-T310 VanDerWaalsContact O-N 3.08Å; I306-T310 PolarHBondContact O-OG1 2.58Å; I306-Y383 HydrophobicContact CB-CE2 4.37Å; I306-Y383 HydrophobicContact CG2-CE2 3.91Å
307	F	92.9	Very high	92.8	Very high	23 Å²	23	33.5 Å²	33.5	10%	0.101	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-51.7	178.2	-177.3	-98.9	0	0	0	111.4	L303 L304 W311 M347 M350 F380 Y383 V384	L303-F307 VanDerWaalsContact O-CB 3.23Å; L303-F307 WeakPolarHBondContact O-CB 3.45Å; L303-F307 PolarHBondContact O-N 3.07Å; L304-F307 PolarHBondContact O-N 3.29Å; F307-W311 WeakPolarHBondContact O-CB 3.43Å; F307-W311 PolarHBondContact O-N 3.39Å; F307-M347 HydrophobicContact CE1-CE 4.17Å; F307-M347 HydrophobicContact CZ-CE 4.22Å; F307-M350 HydrophobicContact CZ-CE 4.4Å; F307-F380 HydrophobicContact CE2-CD2 4.28Å; F307-F380 HydrophobicContact CZ-CD2 4.3Å; F307-Y383 HydrophobicContact CB-CD2 4.31Å; F307-Y383 HydrophobicContact CD2-CD2 4.47Å; F307-V384 HydrophobicContact CE2-CG2 4.36Å
308	I	93.4	Very high	93.2	Very high	67 Å²	67	32 Å²	32	34%	0.344	16%	0.161	S	C	.	.	H	α-helix	trans	-66.6	-44.9	-178.6	-66.2	167.4	0	0	0	110.9	L279 L304 T310 W311 L312	L279-I308 HydrophobicContact CD1-CG2 4.26Å; L304-I308 WeakPolarHBondContact O-CB 3.34Å; L304-I308 WeakPolarHBondContact O-CD1 3.46Å; L304-I308 VanDerWaalsContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG1 3.22Å; L304-I308 PolarHBondContact O-N 2.8Å; I308-T310 VanDerWaalsContact C-N 3.33Å; I308-T310 PolarHBondContact O-N 2.71Å; I308-W311 PolarHBondContact O-N 3.3Å; I308-L312 HydrophobicContact CG2-CD1 3.63Å; I308-L312 HydrophobicContact CG2-CG 4.25Å; I308-L312 WeakPolarHBondContact O-CB 3.45Å; I308-L312 VanDerWaalsContact O-CG 3.29Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.07Å
309	S	92.9	Very high	93.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-42.5	179.7	67.1	0	0	0	0	112.1	A276 I280 S305 I306 T313	A276-S309 VanDerWaalsContact O-CB 3.3Å; A276-S309 WeakPolarHBondContact O-CB 3.33Å; I280-S309 WeakPolarHBondContact CG1-OG 3.41Å; S305-S309 WeakPolarHBondContact O-CB 3.4Å; S305-S309 PolarHBondContact O-N 3.26Å; S305-S309 PolarHBondContact O-OG 3.45Å; I306-S309 PolarHBondContact O-OG 2.95Å; I306-S309 VanDerWaalsContact O-OG 3.07Å; S309-T313 WeakPolarHBondContact O-CB 3.35Å; S309-T313 PolarHBondContact O-N 3.48Å; S309-T313 PolarHBondContact O-OG1 3.49Å
310	T	92.4	Very high	93.4	Very high	40 Å²	40	27.2 Å²	27.2	25%	0.245	14%	0.14	C	C	.	.	H	α-helix	trans	-73.5	-41.6	-176.5	-50.5	0	0	0	0	111	I306 I308 T313 A314 M379	I306-T310 VanDerWaalsContact O-CB 3.26Å; I306-T310 WeakPolarHBondContact O-CB 3.47Å; I306-T310 PolarHBondContact O-N 3.37Å; I306-T310 VanDerWaalsContact O-N 3.08Å; I306-T310 PolarHBondContact O-OG1 2.58Å; I308-T310 VanDerWaalsContact C-N 3.33Å; I308-T310 PolarHBondContact O-N 2.71Å; T310-T313 PolarHBondContact O-N 3.36Å; T310-A314 VanDerWaalsContact O-CB 3.25Å; T310-A314 WeakPolarHBondContact O-CB 3.42Å; T310-A314 PolarHBondContact O-N 2.81Å; T310-M379 HydrophobicContact CG2-CE 3.82Å; T310-M379 HydrophobicContact CG2-SD 4.1Å
311	W	94.6	Very high	93.4	Very high	53 Å²	53	26.3 Å²	26.3	20%	0.201	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-50.1	173.8	173.7	36	0	0	0	112.3	F307 I308 T313 A314 A315 V343 M347 M350	F307-W311 WeakPolarHBondContact O-CB 3.43Å; F307-W311 PolarHBondContact O-N 3.39Å; I308-W311 PolarHBondContact O-N 3.3Å; W311-T313 VanDerWaalsContact C-N 3.34Å; W311-T313 PolarHBondContact O-N 2.95Å; W311-A314 PolarHBondContact O-N 2.96Å; W311-A315 WeakPolarHBondContact O-CB 3.31Å; W311-A315 PolarHBondContact O-N 2.86Å; W311-V343 HydrophobicContact CH2-CG1 3.89Å; W311-V343 HydrophobicContact CZ2-CG1 3.26Å; W311-V343 PolarHBondContact NE1-O 3.44Å; W311-M347 HydrophobicContact CD2-CE 3.88Å; W311-M347 HydrophobicContact CE3-CE 3.96Å; W311-M347 HydrophobicContact CH2-CE 3.58Å; W311-M347 HydrophobicContact CZ2-CB 3.82Å; W311-M347 HydrophobicContact CZ2-CE 3.47Å; W311-M347 VanDerWaalsContact CZ2-CE 3.47Å; W311-M347 HydrophobicContact CZ2-CG 4.35Å; W311-M347 HydrophobicContact CZ3-CE 3.83Å; W311-M350 HydrophobicContact CB-CE 4.05Å; W311-M350 VanDerWaalsContact CD1-CE 3.45Å; W311-M350 HydrophobicContact CD2-CE 4.39Å; W311-M350 HydrophobicContact CG-CE 3.71Å
312	L	95.4	Very high	93.4	Very high	17 Å²	17	25 Å²	25	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-35	-179.9	-69.2	175.3	0	0	0	112.7	F196 A276 L279 I308 G316 Y339 V343	F196-L312 HydrophobicContact CZ-CD1 4.38Å; A276-L312 HydrophobicContact CB-CB 3.92Å; L279-L312 HydrophobicContact CD1-CD1 4.2Å; I308-L312 HydrophobicContact CG2-CD1 3.63Å; I308-L312 HydrophobicContact CG2-CG 4.25Å; I308-L312 WeakPolarHBondContact O-CB 3.45Å; I308-L312 VanDerWaalsContact O-CG 3.29Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.07Å; L312-G316 PolarHBondContact O-N 2.98Å; L312-Y339 WeakPolarHBondContact CA-OH 3.19Å; L312-Y339 WeakPolarHBondContact CB-OH 3.39Å; L312-Y339 HydrophobicContact CD2-CE1 4.37Å; L312-Y339 WeakPolarHBondContact CD2-OH 3.32Å; L312-Y339 PolarHBondContact O-OH 3.25Å; L312-V343 HydrophobicContact CD2-CG2 4.21Å
313	T	94.8	Very high	93.2	Very high	17 Å²	17	23.5 Å²	23.5	10%	0.104	12%	0.12	C	C	.	.	H	α-helix	trans	-70.6	-44.8	176.9	-61.9	0	0	0	0	111.1	F273 L274 L277 S309 T310 W311 A315 G316 F317	F273-T313 HydrophobicContact CD2-CG2 3.97Å; F273-T313 WeakPolarHBondContact CD2-O 3.27Å; F273-T313 HydrophobicContact CE2-CG2 4.15Å; L274-T313 HydrophobicContact CD2-CG2 4.06Å; L277-T313 HydrophobicContact CD1-CG2 4.23Å; L277-T313 HydrophobicContact CD2-CG2 3.97Å; L277-T313 VanDerWaalsContact CD2-OG1 3.3Å; L277-T313 WeakPolarHBondContact CD2-OG1 3.13Å; L277-T313 HydrophobicContact CG-CG2 3.95Å; L277-T313 WeakPolarHBondContact CG-OG1 3.26Å; S309-T313 WeakPolarHBondContact O-CB 3.35Å; S309-T313 PolarHBondContact O-N 3.48Å; S309-T313 PolarHBondContact O-OG1 3.49Å; T310-T313 PolarHBondContact O-N 3.36Å; W311-T313 VanDerWaalsContact C-N 3.34Å; W311-T313 PolarHBondContact O-N 2.95Å; T313-A315 VanDerWaalsContact C-N 3.32Å; T313-A315 PolarHBondContact O-N 3.16Å; T313-G316 PolarHBondContact O-N 3.45Å; T313-F317 PolarHBondContact O-N 2.96Å
314	A	94.9	Very high	92.9	Very high	10 Å²	10	24 Å²	24	8%	0.083	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-40.5	174.4	0	0	0	0	0	111.6	T310 W311 G316 F317 I318 L346 F368 F372	T310-A314 VanDerWaalsContact O-CB 3.25Å; T310-A314 WeakPolarHBondContact O-CB 3.42Å; T310-A314 PolarHBondContact O-N 2.81Å; W311-A314 PolarHBondContact O-N 2.96Å; A314-G316 VanDerWaalsContact C-N 3.3Å; A314-G316 PolarHBondContact O-N 2.78Å; A314-F317 PolarHBondContact O-N 3.27Å; A314-I318 PolarHBondContact O-N 3.24Å; A314-L346 HydrophobicContact CB-CD1 3.48Å; A314-L346 VanDerWaalsContact CB-CD1 3.48Å; A314-F368 HydrophobicContact CB-CE1 4.39Å; A314-F368 HydrophobicContact CB-CZ 3.89Å; A314-F372 HydrophobicContact CB-CD2 3.78Å; A314-F372 HydrophobicContact CB-CE2 3.41Å; A314-F372 VanDerWaalsContact CB-CE2 3.41Å; A314-F372 HydrophobicContact CB-CZ 4.23Å
315	A	95.4	Very high	92.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-38.9	176.1	0	0	0	0	0	111.5	W311 T313 I318 H319 Y339 C342 V343 L346	W311-A315 WeakPolarHBondContact O-CB 3.31Å; W311-A315 PolarHBondContact O-N 2.86Å; T313-A315 VanDerWaalsContact C-N 3.32Å; T313-A315 PolarHBondContact O-N 3.16Å; A315-I318 WeakPolarHBondContact O-CG2 3.28Å; A315-H319 WeakPolarHBondContact O-CB 3.43Å; A315-H319 PolarHBondContact O-N 3.25Å; A315-Y339 HydrophobicContact CB-CE2 4.09Å; A315-C342 HydrophobicContact CB-CB 4.5Å; A315-V343 HydrophobicContact CB-CB 4.31Å; A315-V343 HydrophobicContact CB-CG2 3.53Å; A315-L346 HydrophobicContact CB-CD1 4.13Å; A315-L346 VanDerWaalsContact N-CD1 3.26Å
316	G	94.1	Very high	92.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.8	-34.5	175.4	0	0	0	0	0	113.7	F273 L312 T313 A314 L320	F273-G316 WeakPolarHBondContact CD1-O 3.09Å; L312-G316 PolarHBondContact O-N 2.98Å; T313-G316 PolarHBondContact O-N 3.45Å; A314-G316 VanDerWaalsContact C-N 3.3Å; A314-G316 PolarHBondContact O-N 2.78Å; G316-L320 WeakPolarHBondContact O-CB 3.28Å; G316-L320 PolarHBondContact O-N 3.17Å
317	F	94.9	Very high	91.9	Very high	77 Å²	77	22.2 Å²	22.2	34%	0.338	12%	0.119	S	C	.	.	H	α-helix	trans	-65.5	-52.4	173.9	-174.7	-88.3	0	0	0	111.6	F273 T313 A314 H319 L320 V321 F368	F273-F317 HydrophobicContact CE2-CB 4.03Å; F273-F317 HydrophobicContact CE2-CD2 4.49Å; F273-F317 HydrophobicContact CZ-CB 4Å; F273-F317 AromaticContact CZ-CD2 3.96Å; F273-F317 HydrophobicContact CZ-CD2 3.96Å; F273-F317 HydrophobicContact CZ-CG 4.47Å; T313-F317 PolarHBondContact O-N 2.96Å; A314-F317 PolarHBondContact O-N 3.27Å; F317-H319 VanDerWaalsContact C-N 3.3Å; F317-H319 PolarHBondContact O-N 3.23Å; F317-L320 PolarHBondContact O-N 2.91Å; F317-V321 HydrophobicContact CD1-CG2 4.13Å; F317-V321 HydrophobicContact CE1-CG2 3.73Å; F317-V321 HydrophobicContact CZ-CG2 4.03Å; F317-V321 WeakPolarHBondContact O-CG2 3.05Å; F317-V321 PolarHBondContact O-N 2.78Å; F317-F368 HydrophobicContact CB-CE2 4.48Å; F317-F368 HydrophobicContact CB-CZ 4.32Å; F317-F368 HydrophobicContact CD1-CB 4.32Å; F317-F368 AromaticContact CD1-CD1 3.99Å; F317-F368 HydrophobicContact CD1-CD1 3.99Å; F317-F368 AromaticContact CD1-CD2 3.37Å; F317-F368 HydrophobicContact CD1-CD2 3.37Å; F317-F368 HydrophobicContact CD1-CE1 4.12Å; F317-F368 AromaticContact CD1-CE2 3.53Å; F317-F368 HydrophobicContact CD1-CE2 3.53Å; F317-F368 AromaticContact CD1-CG 3.61Å; F317-F368 HydrophobicContact CD1-CG 3.61Å; F317-F368 AromaticContact CD1-CZ 3.9Å; F317-F368 HydrophobicContact CD1-CZ 3.9Å; F317-F368 HydrophobicContact CE1-CB 3.94Å; F317-F368 HydrophobicContact CE1-CD1 4.46Å; F317-F368 AromaticContact CE1-CD2 3.41Å; F317-F368 HydrophobicContact CE1-CD2 3.41Å; F317-F368 VanDerWaalsContact CE1-CD2 3.41Å; F317-F368 HydrophobicContact CE1-CE2 4.01Å; F317-F368 AromaticContact CE1-CG 3.67Å; F317-F368 HydrophobicContact CE1-CG 3.67Å; F317-F368 HydrophobicContact CG-CD2 4.34Å; F317-F368 HydrophobicContact CG-CE2 4.11Å; F317-F368 HydrophobicContact CG-CZ 4.39Å; F317-F368 HydrophobicContact CZ-CD2 4.4Å
318	I	94.4	Very high	91.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-34.7	178.6	-169.4	62.6	0	0	0	111.7	A314 A315 V321 E322 C342 L346 A360 F368 M369	A314-I318 PolarHBondContact O-N 3.24Å; A315-I318 WeakPolarHBondContact O-CG2 3.28Å; I318-V321 PolarHBondContact O-N 3.46Å; I318-E322 HydrophobicContact CD1-CG 3.86Å; I318-E322 HydrophobicContact CG1-CG 4.05Å; I318-E322 PolarHBondContact O-N 3.21Å; I318-C342 HydrophobicContact CG2-CB 3.89Å; I318-L346 HydrophobicContact CG2-CD1 4.25Å; I318-L346 HydrophobicContact CG2-CD2 4.28Å; I318-L346 HydrophobicContact CG2-CG 4.3Å; I318-A360 HydrophobicContact CD1-CB 4.25Å; I318-F368 HydrophobicContact CB-CD1 4.16Å; I318-F368 HydrophobicContact CB-CE1 4.21Å; I318-F368 HydrophobicContact CD1-CD1 4.29Å; I318-M369 HydrophobicContact CD1-CG 4.5Å
319	H	94.3	Very high	90.9	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-41.9	171.6	-179	-101.4	0	0	0	113	A315 F317 N323 L337 Y339 C342	A315-H319 WeakPolarHBondContact O-CB 3.43Å; A315-H319 PolarHBondContact O-N 3.25Å; F317-H319 VanDerWaalsContact C-N 3.3Å; F317-H319 PolarHBondContact O-N 3.23Å; H319-N323 PolarHBondContact CD2-ND2 3.43Å; H319-N323 PolarHBondContact NE2-ND2 3.36Å; H319-N323 WeakPolarHBondContact O-CB 3.47Å; H319-N323 PolarHBondContact O-N 3.48Å; H319-N323 PolarHBondContact O-ND2 2.82Å; H319-L337 PolarHBondContact CD2-O 3.18Å; H319-L337 PolarHBondContact NE2-O 2.68Å; H319-L337 VanDerWaalsContact NE2-O 3.17Å; H319-Y339 HydrophobicContact CB-CD2 4.27Å; H319-Y339 WeakPolarHBondContact CD2-CA 3.37Å; H319-Y339 PolarHBondContact CD2-N 2.87Å; H319-Y339 PolarHBondContact NE2-N 2.72Å; H319-Y339 VanDerWaalsContact NE2-N 3.15Å; H319-C342 HydrophobicContact CB-CB 4.14Å
320	L	91.3	Very high	90.3	Very high	22 Å²	22	35.4 Å²	35.4	12%	0.115	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-43.8	174.6	179.3	65.7	0	0	0	111	I203 L271 F273 G316 F317 S324	I203-L320 HydrophobicContact CG2-CD1 4.35Å; L271-L320 HydrophobicContact CD2-CD2 4.15Å; F273-L320 HydrophobicContact CE1-CB 4.29Å; F273-L320 HydrophobicContact CE1-CD2 4.01Å; G316-L320 WeakPolarHBondContact O-CB 3.28Å; G316-L320 PolarHBondContact O-N 3.17Å; F317-L320 PolarHBondContact O-N 2.91Å; L320-S324 WeakPolarHBondContact O-CB 3.4Å; L320-S324 PolarHBondContact O-N 2.87Å; L320-S324 VanDerWaalsContact O-N 3.09Å; L320-S324 PolarHBondContact O-OG 3.43Å
321	V	91.9	Very high	89.8	Confident	17 Å²	17	36.3 Å²	36.3	10%	0.103	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-54.1	-175.4	171	0	0	0	0	112.1	F317 I318 N323 S324 G325 T362 L364	F317-V321 HydrophobicContact CD1-CG2 4.13Å; F317-V321 HydrophobicContact CE1-CG2 3.73Å; F317-V321 HydrophobicContact CZ-CG2 4.03Å; F317-V321 WeakPolarHBondContact O-CG2 3.05Å; F317-V321 PolarHBondContact O-N 2.78Å; I318-V321 PolarHBondContact O-N 3.46Å; V321-N323 PolarHBondContact O-N 2.71Å; V321-S324 PolarHBondContact O-N 3.3Å; V321-G325 PolarHBondContact O-N 3.32Å; V321-T362 WeakPolarHBondContact CG1-OG1 3.4Å; V321-L364 HydrophobicContact CG1-CB 3.57Å
322	E	91.9	Very high	89.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-41.5	-177.1	-69.9	-68.9	124	0	0	112.1	I318 N334 Q335 L337 A360 K361 T362	I318-E322 HydrophobicContact CD1-CG 3.86Å; I318-E322 HydrophobicContact CG1-CG 4.05Å; I318-E322 PolarHBondContact O-N 3.21Å; E322-N334 CarbonylContact O-C 3.22Å; E322-N334 WeakPolarHBondContact O-CA 3.49Å; E322-Q335 CarbonylContact C-O 3.37Å; E322-Q335 HydrophobicContact CB-CB 4.4Å; E322-Q335 PolarHBondContact O-N 3.17Å; E322-L337 HydrophobicContact CB-CD1 4.4Å; E322-L337 HydrophobicContact CG-CD1 4.38Å; E322-A360 WeakPolarHBondContact OE1-CB 3.32Å; E322-K361 PolarHBondContact OE1-N 2.91Å; E322-K361 PolarHBondContact OE2-N 2.91Å; E322-T362 WeakPolarHBondContact OE1-CB 3.15Å; E322-T362 PolarHBondContact OE1-N 3.03Å; E322-T362 PolarHBondContact OE1-OG1 3.43Å; E322-T362 PolarHBondContact OE2-N 3.38Å
323	N	89.2	Confident	88.6	Confident	27 Å²	27	43 Å²	43	14%	0.144	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-26.8	177.5	-75.4	-67.1	0	0	0	113.7	I203 H319 V321 N334 Q335 A336 L337	I203-N323 HydrophobicContact CD1-CB 3.8Å; I203-N323 HydrophobicContact CG1-CB 3.93Å; H319-N323 PolarHBondContact CD2-ND2 3.43Å; H319-N323 PolarHBondContact NE2-ND2 3.36Å; H319-N323 WeakPolarHBondContact O-CB 3.47Å; H319-N323 PolarHBondContact O-N 3.48Å; H319-N323 PolarHBondContact O-ND2 2.82Å; V321-N323 PolarHBondContact O-N 2.71Å; N323-N334 PolarHBondContact O-ND2 3.2Å; N323-Q335 PolarHBondContact OD1-O 3.47Å; N323-A336 WeakPolarHBondContact OD1-CA 3.43Å; N323-L337 PolarHBondContact ND2-O 2.69Å; N323-L337 PolarHBondContact OD1-N 3.31Å; N323-L337 PolarHBondContact OD1-O 2.96Å
324	S	86.1	Confident	88.2	Confident	23 Å²	23	46.1 Å²	46.1	16%	0.161	23%	0.23	C	C	.	.	H	α-helix	trans	-77.2	-40.3	178.5	-64.4	0	0	0	0	112.4	R85 L320 V321 F331	R85-S324 PolarHBondContact NH1-O 2.95Å; L320-S324 WeakPolarHBondContact O-CB 3.4Å; L320-S324 PolarHBondContact O-N 2.87Å; L320-S324 VanDerWaalsContact O-N 3.09Å; L320-S324 PolarHBondContact O-OG 3.43Å; V321-S324 PolarHBondContact O-N 3.3Å; S324-F331 WeakPolarHBondContact O-CB 3.21Å; S324-F331 VanDerWaalsContact O-CD1 3.23Å; S324-F331 WeakPolarHBondContact O-CD1 3.18Å
325	G	85.9	Confident	87.9	Confident	4 Å²	4	46.7 Å²	46.7	4%	0.041	23%	0.23	C	C	.	.			trans	87.8	165	-170	0	0	0	0	0	113.5	V321 F331	V321-G325 PolarHBondContact O-N 3.32Å; G325-F331 WeakPolarHBondContact O-CD1 3.31Å
326	D	86.1	Confident	87.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.			trans	-74.3	134.4	174.6	-71.5	-44.6	0	0	0	110.8	W328 E329 F331 N333 T363 L364	D326-W328 VanDerWaalsContact C-N 3.31Å; D326-W328 HydrophobicContact CB-CD2 4.16Å; D326-W328 HydrophobicContact CB-CG 4.42Å; D326-W328 HydrophobicContact CB-CZ2 4.08Å; D326-W328 PolarHBondContact O-N 3.39Å; D326-E329 HydrophobicContact CB-CG 4.39Å; D326-E329 PolarHBondContact O-N 2.66Å; D326-F331 PolarHBondContact O-N 2.81Å; D326-F331 VanDerWaalsContact O-N 3.09Å; D326-N333 PolarHBondContact N-OD1 2.94Å; D326-N333 PolarHBondContact OD2-ND2 3.22Å; D326-T363 PolarHBondContact OD1-N 3.21Å; D326-T363 WeakPolarHBondContact OD2-CB 3.33Å; D326-T363 PolarHBondContact OD2-N 2.87Å; D326-T363 PolarHBondContact OD2-OG1 2.77Å; D326-L364 WeakPolarHBondContact OD1-CB 3.29Å; D326-L364 WeakPolarHBondContact OD1-CG 3.18Å; D326-L364 PolarHBondContact OD1-N 3.38Å
327	P	83	Confident	87.3	Confident	64 Å²	64	51.6 Å²	51.6	42%	0.416	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.9	-31	-179.2	-25.8	34.1	0	0	0	115.3	N330 F331	P327-N330 PolarHBondContact O-N 3.38Å; P327-F331 HydrophobicContact CB-CE1 4.13Å; P327-F331 HydrophobicContact CB-CZ 3.97Å; P327-F331 HydrophobicContact CG-CE1 3.89Å; P327-F331 HydrophobicContact CG-CZ 4.11Å
328	W	83.9	Confident	87.3	Confident	138 Å²	138	51.4 Å²	51.4	52%	0.523	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-75.5	-27	-179.6	39.9	92.5	0	0	0	113.5	D326 N330 T363 L364	D326-W328 VanDerWaalsContact C-N 3.31Å; D326-W328 HydrophobicContact CB-CD2 4.16Å; D326-W328 HydrophobicContact CB-CG 4.42Å; D326-W328 HydrophobicContact CB-CZ2 4.08Å; D326-W328 PolarHBondContact O-N 3.39Å; W328-N330 PolarHBondContact O-N 2.91Å; W328-T363 HydrophobicContact CZ2-CG2 4.26Å; W328-L364 HydrophobicContact CH2-CD1 4Å; W328-L364 HydrophobicContact CH2-CD2 3.79Å; W328-L364 HydrophobicContact CH2-CG 3.63Å; W328-L364 HydrophobicContact CZ2-CG 4.08Å; W328-L364 HydrophobicContact CZ3-CD1 4.49Å
329	E	81.7	Confident	87.3	Confident	102 Å²	102	51.5 Å²	51.5	48%	0.477	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-85	21.7	172	-59.3	-54.3	145.9	0	0	112	D326 F331 Q332 N333	D326-E329 HydrophobicContact CB-CG 4.39Å; D326-E329 PolarHBondContact O-N 2.66Å; E329-F331 PolarHBondContact O-N 3.49Å; E329-F331 VanDerWaalsContact O-N 3.08Å; E329-Q332 WeakPolarHBondContact O-CB 3.35Å; E329-Q332 WeakPolarHBondContact O-CG 3.38Å; E329-Q332 PolarHBondContact O-N 3.45Å; E329-N333 HydrophobicContact CB-CB 4.39Å
330	N	80.8	Confident	87.3	Confident	127 Å²	127	58 Å²	58	68%	0.679	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	33.2	-173	-61.7	-76.3	0	0	0	113.4	P327 W328 Q332	P327-N330 PolarHBondContact O-N 3.38Å; W328-N330 PolarHBondContact O-N 2.91Å; N330-Q332 PolarHBondContact O-N 3.35Å
331	F	80.9	Confident	87.5	Confident	60 Å²	60	60.4 Å²	60.4	26%	0.263	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	18.1	-175.4	-53.8	-77.2	0	0	0	115.5	S324 G325 D326 P327 E329	S324-F331 WeakPolarHBondContact O-CB 3.21Å; S324-F331 VanDerWaalsContact O-CD1 3.23Å; S324-F331 WeakPolarHBondContact O-CD1 3.18Å; G325-F331 WeakPolarHBondContact O-CD1 3.31Å; D326-F331 PolarHBondContact O-N 2.81Å; D326-F331 VanDerWaalsContact O-N 3.09Å; P327-F331 HydrophobicContact CB-CE1 4.13Å; P327-F331 HydrophobicContact CB-CZ 3.97Å; P327-F331 HydrophobicContact CG-CE1 3.89Å; P327-F331 HydrophobicContact CG-CZ 4.11Å; E329-F331 PolarHBondContact O-N 3.49Å; E329-F331 VanDerWaalsContact O-N 3.08Å
332	Q	79.4	Confident	87.7	Confident	162 Å²	162	59.6 Å²	59.6	76%	0.757	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-21.7	-178.2	-64.7	-171.6	6.1	0	0	114.4	E329 N330 N334	E329-Q332 WeakPolarHBondContact O-CB 3.35Å; E329-Q332 WeakPolarHBondContact O-CG 3.38Å; E329-Q332 PolarHBondContact O-N 3.45Å; N330-Q332 PolarHBondContact O-N 3.35Å; Q332-N334 PolarHBondContact O-N 3.45Å
333	N	86.7	Confident	87.9	Confident	49 Å²	49	60.2 Å²	60.2	26%	0.262	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	28.1	-177.2	72.4	-17.6	0	0	0	113.5	D326 E329	D326-N333 PolarHBondContact N-OD1 2.94Å; D326-N333 PolarHBondContact OD2-ND2 3.22Å; E329-N333 HydrophobicContact CB-CB 4.39Å
334	N	85.9	Confident	88.2	Confident	82 Å²	82	63.5 Å²	63.5	44%	0.439	32%	0.32	S	S	.	.			trans	-72.6	146.5	-177.8	71.6	-32.3	0	0	0	112.3	E322 N323 Q332	E322-N334 CarbonylContact O-C 3.22Å; E322-N334 WeakPolarHBondContact O-CA 3.49Å; N323-N334 PolarHBondContact O-ND2 3.2Å; Q332-N334 PolarHBondContact O-N 3.45Å
335	Q	87.8	Confident	88.6	Confident	21 Å²	21	62.8 Å²	62.8	10%	0.098	31%	0.314	C	S	.	.			trans	-117.5	115.7	175.6	-174.4	173	-73.1	0	0	108.8	E322 N323 L337 Y359	E322-Q335 CarbonylContact C-O 3.37Å; E322-Q335 HydrophobicContact CB-CB 4.4Å; E322-Q335 PolarHBondContact O-N 3.17Å; N323-Q335 PolarHBondContact OD1-O 3.47Å; Q335-L337 VanDerWaalsContact C-N 3.33Å; Q335-L337 HydrophobicContact CG-CD2 4.3Å; Q335-L337 HydrophobicContact CG-CG 4.02Å; Q335-L337 PolarHBondContact O-N 3.37Å; Q335-Y359 PolarHBondContact NE2-O 2.93Å
336	A	86.9	Confident	89.1	Confident	91 Å²	91	62.6 Å²	62.6	75%	0.752	31%	0.312	S	S	*	.			trans	-69.7	87.5	175.7	0	0	0	0	0	110.3	N323	N323-A336 WeakPolarHBondContact OD1-CA 3.43Å
337	L	91.1	Very high	89.4	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.063	33%	0.325	C	S	.	.			trans	-105.8	136.3	171.6	-71.5	-176.8	0	0	0	109.5	H319 E322 N323 Q335 E341 V358	H319-L337 PolarHBondContact CD2-O 3.18Å; H319-L337 PolarHBondContact NE2-O 2.68Å; H319-L337 VanDerWaalsContact NE2-O 3.17Å; E322-L337 HydrophobicContact CB-CD1 4.4Å; E322-L337 HydrophobicContact CG-CD1 4.38Å; N323-L337 PolarHBondContact ND2-O 2.69Å; N323-L337 PolarHBondContact OD1-N 3.31Å; N323-L337 PolarHBondContact OD1-O 2.96Å; Q335-L337 VanDerWaalsContact C-N 3.33Å; Q335-L337 HydrophobicContact CG-CD2 4.3Å; Q335-L337 HydrophobicContact CG-CG 4.02Å; Q335-L337 PolarHBondContact O-N 3.37Å; L337-E341 HydrophobicContact CD2-CB 4.28Å; L337-V358 HydrophobicContact CD1-CG1 4.2Å; L337-V358 HydrophobicContact CD2-CG1 3.98Å
338	T	94.1	Very high	90	Very high	73 Å²	73	62.8 Å²	62.8	45%	0.448	31%	0.309	S	S	.	.			trans	-72	156.5	166	66	0	0	0	0	111.1	W340 E341 C342	T338-W340 PolarHBondContact O-N 2.82Å; T338-E341 VanDerWaalsContact CB-OE2 3.29Å; T338-E341 WeakPolarHBondContact CB-OE2 3.27Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.23Å; T338-E341 PolarHBondContact N-OE2 2.99Å; T338-E341 PolarHBondContact O-N 2.69Å; T338-E341 VanDerWaalsContact O-N 3.16Å; T338-E341 WeakPolarHBondContact OG1-CG 3.46Å; T338-E341 PolarHBondContact OG1-N 3Å; T338-E341 PolarHBondContact OG1-OE2 3.28Å; T338-C342 PolarHBondContact O-N 2.8Å
339	Y	94.5	Very high	90.4	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-37	176.2	179.5	-103.5	0	0	0	112.3	Y195 F196 S199 L312 A315 H319 C342 V343	Y195-Y339 HydrophobicContact CE1-CD2 4.03Å; Y195-Y339 AromaticContact CE1-CE2 3.68Å; Y195-Y339 HydrophobicContact CE1-CE2 3.68Å; Y195-Y339 VanDerWaalsContact OH-CD2 3.31Å; Y195-Y339 WeakPolarHBondContact OH-CD2 3.19Å; Y195-Y339 WeakPolarHBondContact OH-CE2 3.11Å; F196-Y339 AromaticContact CD1-CD1 3.99Å; F196-Y339 HydrophobicContact CD1-CD1 3.99Å; F196-Y339 AromaticContact CD1-CE1 3.61Å; F196-Y339 HydrophobicContact CD1-CE1 3.61Å; F196-Y339 HydrophobicContact CE1-CD1 4.23Å; F196-Y339 AromaticContact CE1-CE1 3.38Å; F196-Y339 HydrophobicContact CE1-CE1 3.38Å; F196-Y339 AromaticContact CE1-CZ 3.75Å; F196-Y339 HydrophobicContact CZ-CE1 4.37Å; S199-Y339 WeakPolarHBondContact OG-CB 3.28Å; L312-Y339 WeakPolarHBondContact CA-OH 3.19Å; L312-Y339 WeakPolarHBondContact CB-OH 3.39Å; L312-Y339 HydrophobicContact CD2-CE1 4.37Å; L312-Y339 WeakPolarHBondContact CD2-OH 3.32Å; L312-Y339 PolarHBondContact O-OH 3.25Å; A315-Y339 HydrophobicContact CB-CE2 4.09Å; H319-Y339 HydrophobicContact CB-CD2 4.27Å; H319-Y339 WeakPolarHBondContact CD2-CA 3.37Å; H319-Y339 PolarHBondContact CD2-N 2.87Å; H319-Y339 PolarHBondContact NE2-N 2.72Å; H319-Y339 VanDerWaalsContact NE2-N 3.15Å; Y339-C342 WeakPolarHBondContact O-CB 3.15Å; Y339-C342 PolarHBondContact O-N 3.1Å; Y339-V343 HydrophobicContact CD1-CG2 3.93Å; Y339-V343 HydrophobicContact CE1-CG2 3.48Å; Y339-V343 VanDerWaalsContact CE1-CG2 3.48Å; Y339-V343 HydrophobicContact CE2-CG2 4.32Å; Y339-V343 WeakPolarHBondContact O-CG2 3.49Å; Y339-V343 PolarHBondContact O-N 3.39Å
340	W	95.1	Very high	90.9	Very high	141 Å²	141	52.8 Å²	52.8	53%	0.534	27%	0.27	S	S	.	.	H	α-helix	trans	-72.3	-32.5	-178.8	-55.6	115.7	0	0	0	113.3	F196 T338 C342 V343 Y344	F196-W340 HydrophobicContact CB-CZ2 4.08Å; F196-W340 HydrophobicContact CD1-CH2 4.11Å; F196-W340 HydrophobicContact CD1-CZ2 4.34Å; F196-W340 HydrophobicContact CD2-CH2 4.01Å; F196-W340 HydrophobicContact CD2-CZ2 4.31Å; F196-W340 HydrophobicContact CE1-CH2 4.28Å; F196-W340 HydrophobicContact CE2-CH2 4.17Å; F196-W340 AromaticContact CG-CH2 3.99Å; F196-W340 HydrophobicContact CG-CH2 3.99Å; F196-W340 HydrophobicContact CG-CZ2 4.01Å; F196-W340 HydrophobicContact CZ-CH2 4.3Å; T338-W340 PolarHBondContact O-N 2.82Å; W340-C342 VanDerWaalsContact C-N 3.35Å; W340-V343 HydrophobicContact CE3-CB 4.42Å; W340-V343 HydrophobicContact CE3-CG2 4.21Å; W340-V343 HydrophobicContact CZ3-CG2 4.5Å; W340-V343 PolarHBondContact O-N 2.85Å; W340-Y344 WeakPolarHBondContact O-CB 3.37Å; W340-Y344 PolarHBondContact O-N 3.45Å
341	E	95.1	Very high	91.4	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-36.5	169.9	-71.5	161.3	120.4	0	0	111.5	L337 T338 Y344 L345	L337-E341 HydrophobicContact CD2-CB 4.28Å; T338-E341 VanDerWaalsContact CB-OE2 3.29Å; T338-E341 WeakPolarHBondContact CB-OE2 3.27Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.23Å; T338-E341 PolarHBondContact N-OE2 2.99Å; T338-E341 PolarHBondContact O-N 2.69Å; T338-E341 VanDerWaalsContact O-N 3.16Å; T338-E341 WeakPolarHBondContact OG1-CG 3.46Å; T338-E341 PolarHBondContact OG1-N 3Å; T338-E341 PolarHBondContact OG1-OE2 3.28Å; E341-Y344 PolarHBondContact O-N 2.57Å; E341-L345 VanDerWaalsContact O-CB 3.29Å; E341-L345 WeakPolarHBondContact O-CB 3.04Å; E341-L345 PolarHBondContact O-N 3.45Å
342	C	95.1	Very high	91.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-41.7	171.5	-69.2	0	0	0	0	112.4	A315 I318 H319 T338 Y339 W340 L345 L346	A315-C342 HydrophobicContact CB-CB 4.5Å; I318-C342 HydrophobicContact CG2-CB 3.89Å; H319-C342 HydrophobicContact CB-CB 4.14Å; T338-C342 PolarHBondContact O-N 2.8Å; Y339-C342 WeakPolarHBondContact O-CB 3.15Å; Y339-C342 PolarHBondContact O-N 3.1Å; W340-C342 VanDerWaalsContact C-N 3.35Å; C342-L345 PolarHBondContact O-N 3.5Å; C342-L346 WeakPolarHBondContact O-CG 3.26Å; C342-L346 PolarHBondContact O-N 3.05Å
343	V	96	Very high	92.6	Very high	13 Å²	13	46.2 Å²	46.2	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-44.8	174.2	167.3	0	0	0	0	110.9	W311 L312 A315 Y339 W340 M347	W311-V343 HydrophobicContact CH2-CG1 3.89Å; W311-V343 HydrophobicContact CZ2-CG1 3.26Å; W311-V343 PolarHBondContact NE1-O 3.44Å; L312-V343 HydrophobicContact CD2-CG2 4.21Å; A315-V343 HydrophobicContact CB-CB 4.31Å; A315-V343 HydrophobicContact CB-CG2 3.53Å; Y339-V343 HydrophobicContact CD1-CG2 3.93Å; Y339-V343 HydrophobicContact CE1-CG2 3.48Å; Y339-V343 VanDerWaalsContact CE1-CG2 3.48Å; Y339-V343 HydrophobicContact CE2-CG2 4.32Å; Y339-V343 WeakPolarHBondContact O-CG2 3.49Å; Y339-V343 PolarHBondContact O-N 3.39Å; W340-V343 HydrophobicContact CE3-CB 4.42Å; W340-V343 HydrophobicContact CE3-CG2 4.21Å; W340-V343 HydrophobicContact CZ3-CG2 4.5Å; W340-V343 PolarHBondContact O-N 2.85Å; V343-M347 PolarHBondContact O-N 3.13Å; V343-M347 VanDerWaalsContact O-N 3.16Å
344	Y	96.1	Very high	92.8	Very high	95 Å²	95	46.4 Å²	46.4	37%	0.373	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-52.4	174.1	168.2	-104.7	0	0	0	112.4	W340 E341 L346 M347 V348 Y355 D357 V358	W340-Y344 WeakPolarHBondContact O-CB 3.37Å; W340-Y344 PolarHBondContact O-N 3.45Å; E341-Y344 PolarHBondContact O-N 2.57Å; Y344-L346 VanDerWaalsContact C-N 3.28Å; Y344-L346 PolarHBondContact O-N 3.28Å; Y344-M347 PolarHBondContact O-N 2.73Å; Y344-V348 HydrophobicContact CD2-CG2 3.92Å; Y344-V348 HydrophobicContact CE1-CG2 4.23Å; Y344-V348 HydrophobicContact CE2-CG2 3.55Å; Y344-V348 HydrophobicContact CG-CG2 4.41Å; Y344-V348 WeakPolarHBondContact O-CG2 3.48Å; Y344-V348 PolarHBondContact O-N 3.14Å; Y344-Y355 WeakPolarHBondContact OH-CD2 3.32Å; Y344-D357 VanDerWaalsContact CE1-OD2 3.3Å; Y344-D357 WeakPolarHBondContact CE1-OD2 3.41Å; Y344-D357 PolarHBondContact OH-OD2 2.84Å; Y344-V358 HydrophobicContact CD1-CG2 4.21Å; Y344-V358 HydrophobicContact CE1-CG2 4.17Å
345	L	95.1	Very high	93.2	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-49.9	-47.7	177.1	169.4	61.7	0	0	0	111.6	E341 C342 T349 V358 M369	E341-L345 VanDerWaalsContact O-CB 3.29Å; E341-L345 WeakPolarHBondContact O-CB 3.04Å; E341-L345 PolarHBondContact O-N 3.45Å; C342-L345 PolarHBondContact O-N 3.5Å; L345-T349 VanDerWaalsContact O-CB 3.3Å; L345-T349 WeakPolarHBondContact O-CB 3.31Å; L345-T349 PolarHBondContact O-N 2.75Å; L345-T349 PolarHBondContact O-OG1 3.47Å; L345-V358 HydrophobicContact CB-CG1 4.14Å; L345-V358 WeakPolarHBondContact CD1-O 3.37Å; L345-V358 HydrophobicContact CD2-CG1 4.33Å; L345-M369 HydrophobicContact CD1-CE 4.05Å; L345-M369 HydrophobicContact CD2-CE 4.33Å; L345-M369 HydrophobicContact CG-CE 4.06Å
346	L	95	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.4	-32.7	-178.8	-63.4	-160.8	0	0	0	113	A314 A315 I318 C342 Y344 T349 M350 M369 F372	A314-L346 HydrophobicContact CB-CD1 3.48Å; A314-L346 VanDerWaalsContact CB-CD1 3.48Å; A315-L346 HydrophobicContact CB-CD1 4.13Å; A315-L346 VanDerWaalsContact N-CD1 3.26Å; I318-L346 HydrophobicContact CG2-CD1 4.25Å; I318-L346 HydrophobicContact CG2-CD2 4.28Å; I318-L346 HydrophobicContact CG2-CG 4.3Å; C342-L346 WeakPolarHBondContact O-CG 3.26Å; C342-L346 PolarHBondContact O-N 3.05Å; Y344-L346 VanDerWaalsContact C-N 3.28Å; Y344-L346 PolarHBondContact O-N 3.28Å; L346-T349 PolarHBondContact O-N 3.49Å; L346-M350 WeakPolarHBondContact O-CB 3.35Å; L346-M350 WeakPolarHBondContact O-CG 3.27Å; L346-M350 PolarHBondContact O-N 3.32Å; L346-M369 HydrophobicContact CD2-CE 3.91Å; L346-M369 HydrophobicContact CD2-SD 3.44Å; L346-M369 WeakPolarHBondContact CD2-SD 3.22Å; L346-F372 HydrophobicContact CB-CE1 3.78Å; L346-F372 HydrophobicContact CB-CZ 3.91Å; L346-F372 HydrophobicContact CD1-CD1 4.47Å; L346-F372 HydrophobicContact CD1-CE1 3.97Å; L346-F372 HydrophobicContact CD1-CE2 4.08Å; L346-F372 HydrophobicContact CD1-CZ 3.75Å; L346-F372 HydrophobicContact CD2-CD1 3.83Å; L346-F372 HydrophobicContact CD2-CE1 3.69Å; L346-F372 HydrophobicContact CD2-CZ 4.33Å; L346-F372 HydrophobicContact CG-CE1 4Å; L346-F372 HydrophobicContact CG-CZ 4.21Å
347	M	93.3	Very high	93.5	Very high	56 Å²	56	51.5 Å²	51.5	28%	0.276	28%	0.281	S	S	.	.	H	α-helix	trans	-67.9	-45.5	174.1	-177.6	56.6	67.5	0	0	111.6	F307 W311 V343 Y344 T349 M350 S351	F307-M347 HydrophobicContact CE1-CE 4.17Å; F307-M347 HydrophobicContact CZ-CE 4.22Å; W311-M347 HydrophobicContact CD2-CE 3.88Å; W311-M347 HydrophobicContact CE3-CE 3.96Å; W311-M347 HydrophobicContact CH2-CE 3.58Å; W311-M347 HydrophobicContact CZ2-CB 3.82Å; W311-M347 HydrophobicContact CZ2-CE 3.47Å; W311-M347 VanDerWaalsContact CZ2-CE 3.47Å; W311-M347 HydrophobicContact CZ2-CG 4.35Å; W311-M347 HydrophobicContact CZ3-CE 3.83Å; V343-M347 PolarHBondContact O-N 3.13Å; V343-M347 VanDerWaalsContact O-N 3.16Å; Y344-M347 PolarHBondContact O-N 2.73Å; M347-T349 PolarHBondContact O-N 2.92Å; M347-M350 HydrophobicContact CE-CE 4.27Å; M347-M350 PolarHBondContact O-N 3.11Å; M347-S351 WeakPolarHBondContact O-CB 3.28Å; M347-S351 PolarHBondContact O-N 2.96Å; M347-S351 VanDerWaalsContact O-N 3.07Å; M347-S351 PolarHBondContact O-OG 3.37Å
348	V	94.5	Very high	93.6	Very high	13 Å²	13	52.1 Å²	52.1	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-30.7	174.6	170.7	0	0	0	0	111.8	Y344 S351 V353 G354 Y355	Y344-V348 HydrophobicContact CD2-CG2 3.92Å; Y344-V348 HydrophobicContact CE1-CG2 4.23Å; Y344-V348 HydrophobicContact CE2-CG2 3.55Å; Y344-V348 HydrophobicContact CG-CG2 4.41Å; Y344-V348 WeakPolarHBondContact O-CG2 3.48Å; Y344-V348 PolarHBondContact O-N 3.14Å; V348-S351 PolarHBondContact O-OG 2.96Å; V348-V353 HydrophobicContact CG1-CB 4.3Å; V348-V353 PolarHBondContact O-N 2.86Å; V348-G354 PolarHBondContact O-N 3.5Å; V348-G354 VanDerWaalsContact O-N 3.14Å; V348-Y355 HydrophobicContact CG1-CD2 3.75Å; V348-Y355 HydrophobicContact CG1-CE2 4.43Å; V348-Y355 HydrophobicContact CG1-CG 4.37Å; V348-Y355 HydrophobicContact CG2-CD2 4.03Å; V348-Y355 HydrophobicContact CG2-CE2 4.21Å
349	T	93.8	Very high	93.6	Very high	26 Å²	26	54 Å²	54	16%	0.16	29%	0.285	C	S	.	.	H	α-helix	trans	-78.6	-48.4	176.7	-57.8	0	0	0	0	112.5	L345 L346 M347 S351 T352 M369 I373	L345-T349 VanDerWaalsContact O-CB 3.3Å; L345-T349 WeakPolarHBondContact O-CB 3.31Å; L345-T349 PolarHBondContact O-N 2.75Å; L345-T349 PolarHBondContact O-OG1 3.47Å; L346-T349 PolarHBondContact O-N 3.49Å; M347-T349 PolarHBondContact O-N 2.92Å; T349-S351 VanDerWaalsContact C-N 3.3Å; T349-S351 PolarHBondContact O-N 3.12Å; T349-T352 PolarHBondContact O-N 3.18Å; T349-M369 HydrophobicContact CG2-CE 3.81Å; T349-M369 WeakPolarHBondContact OG1-CE 3.28Å; T349-I373 HydrophobicContact CG2-CD1 4.08Å; T349-I373 HydrophobicContact CG2-CG1 3.46Å; T349-I373 VanDerWaalsContact CG2-CG1 3.46Å
350	M	91.3	Very high	93.5	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-36.3	179.3	-74.8	-173.5	-65.4	0	0	112.6	F307 W311 L346 M347 T352 F372 F380	F307-M350 HydrophobicContact CZ-CE 4.4Å; W311-M350 HydrophobicContact CB-CE 4.05Å; W311-M350 VanDerWaalsContact CD1-CE 3.45Å; W311-M350 HydrophobicContact CD2-CE 4.39Å; W311-M350 HydrophobicContact CG-CE 3.71Å; L346-M350 WeakPolarHBondContact O-CB 3.35Å; L346-M350 WeakPolarHBondContact O-CG 3.27Å; L346-M350 PolarHBondContact O-N 3.32Å; M347-M350 HydrophobicContact CE-CE 4.27Å; M347-M350 PolarHBondContact O-N 3.11Å; M350-T352 PolarHBondContact O-N 2.87Å; M350-F372 HydrophobicContact CE-CZ 4.29Å; M350-F372 HydrophobicContact CG-CE1 3.59Å; M350-F372 HydrophobicContact CG-CZ 3.55Å; M350-F372 HydrophobicContact SD-CE1 4.27Å; M350-F372 HydrophobicContact SD-CE2 4.42Å; M350-F372 HydrophobicContact SD-CZ 3.59Å; M350-F372 VanDerWaalsContact SD-CZ 3.59Å; M350-F380 HydrophobicContact CB-CB 4.36Å; M350-F380 HydrophobicContact CB-CD2 4.05Å; M350-F380 HydrophobicContact CB-CG 4.45Å; M350-F380 WeakPolarHBondContact O-CG 3.44Å
351	S	90.8	Very high	93.3	Very high	32 Å²	32	52.6 Å²	52.6	22%	0.224	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2.6	174.6	58.2	0	0	0	0	113.9	M347 V348 T349 V353	M347-S351 WeakPolarHBondContact O-CB 3.28Å; M347-S351 PolarHBondContact O-N 2.96Å; M347-S351 VanDerWaalsContact O-N 3.07Å; M347-S351 PolarHBondContact O-OG 3.37Å; V348-S351 PolarHBondContact O-OG 2.96Å; T349-S351 VanDerWaalsContact C-N 3.3Å; T349-S351 PolarHBondContact O-N 3.12Å; S351-V353 PolarHBondContact O-N 3.02Å; S351-V353 VanDerWaalsContact O-N 3.17Å
352	T	92.5	Very high	93.2	Very high	105 Å²	105	49 Å²	49	64%	0.644	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	18.8	-179.6	64.5	0	0	0	0	115.9	T349 M350 L377	T349-T352 PolarHBondContact O-N 3.18Å; M350-T352 PolarHBondContact O-N 2.87Å; T352-L377 HydrophobicContact CG2-CD1 3.64Å
353	V	94.6	Very high	93	Very high	73 Å²	73	52.8 Å²	52.8	44%	0.442	29%	0.291	S	S	.	.			trans	-76.6	-41.7	-179	178	0	0	0	0	111.7	V348 S351 Y355	V348-V353 HydrophobicContact CG1-CB 4.3Å; V348-V353 PolarHBondContact O-N 2.86Å; S351-V353 PolarHBondContact O-N 3.02Å; S351-V353 VanDerWaalsContact O-N 3.17Å; V353-Y355 HydrophobicContact CG1-CD1 3.95Å; V353-Y355 HydrophobicContact CG1-CD2 4.07Å; V353-Y355 HydrophobicContact CG1-CE1 3.54Å; V353-Y355 HydrophobicContact CG1-CE2 3.68Å; V353-Y355 HydrophobicContact CG1-CG 4.2Å; V353-Y355 PolarHBondContact O-N 3.21Å
354	G	90.6	Very high	92.8	Very high	54 Å²	54	55.1 Å²	55.1	56%	0.557	30%	0.303	S	S	*	.			trans	57.3	43.2	163.9	0	0	0	0	0	117.2	V348 G356	V348-G354 PolarHBondContact O-N 3.5Å; V348-G354 VanDerWaalsContact O-N 3.14Å; G354-G356 PolarHBondContact O-N 3.43Å; G354-G356 VanDerWaalsContact O-N 3.09Å
355	Y	93	Very high	92.6	Very high	160 Å²	160	50.6 Å²	50.6	63%	0.627	29%	0.285	S	S	*	.			trans	-52.4	-32	-175.4	-65.6	-59	0	0	0	115.7	Y344 V348 V353 D357	Y344-Y355 WeakPolarHBondContact OH-CD2 3.32Å; V348-Y355 HydrophobicContact CG1-CD2 3.75Å; V348-Y355 HydrophobicContact CG1-CE2 4.43Å; V348-Y355 HydrophobicContact CG1-CG 4.37Å; V348-Y355 HydrophobicContact CG2-CD2 4.03Å; V348-Y355 HydrophobicContact CG2-CE2 4.21Å; V353-Y355 HydrophobicContact CG1-CD1 3.95Å; V353-Y355 HydrophobicContact CG1-CD2 4.07Å; V353-Y355 HydrophobicContact CG1-CE1 3.54Å; V353-Y355 HydrophobicContact CG1-CE2 3.68Å; V353-Y355 HydrophobicContact CG1-CG 4.2Å; V353-Y355 PolarHBondContact O-N 3.21Å; Y355-D357 VanDerWaalsContact C-N 3.27Å; Y355-D357 PolarHBondContact O-N 2.92Å
356	G	90.4	Very high	92.5	Very high	48 Å²	48	56.9 Å²	56.9	50%	0.495	31%	0.308	S	S	.	.	S	Bend	trans	77.5	8.5	179.9	0	0	0	0	0	115	G354 Y359	G354-G356 PolarHBondContact O-N 3.43Å; G354-G356 VanDerWaalsContact O-N 3.09Å; G356-Y359 WeakPolarHBondContact O-CD1 3.45Å
357	D	92.5	Very high	92.5	Very high	92 Å²	92	61.5 Å²	61.5	49%	0.492	33%	0.332	S	S	.	.	S	Bend	trans	-66.8	-45.4	170.6	55.1	-14.6	0	0	0	111.9	Y344 Y355	Y344-D357 VanDerWaalsContact CE1-OD2 3.3Å; Y344-D357 WeakPolarHBondContact CE1-OD2 3.41Å; Y344-D357 PolarHBondContact OH-OD2 2.84Å; Y355-D357 VanDerWaalsContact C-N 3.27Å; Y355-D357 PolarHBondContact O-N 2.92Å
358	V	92.6	Very high	92.6	Very high	25 Å²	25	60.9 Å²	60.9	15%	0.152	33%	0.328	C	S	.	.	S	Bend	trans	-114.3	136.9	169.4	-174.9	0	0	0	0	108.3	L337 Y344 L345	L337-V358 HydrophobicContact CD1-CG1 4.2Å; L337-V358 HydrophobicContact CD2-CG1 3.98Å; Y344-V358 HydrophobicContact CD1-CG2 4.21Å; Y344-V358 HydrophobicContact CE1-CG2 4.17Å; L345-V358 HydrophobicContact CB-CG1 4.14Å; L345-V358 WeakPolarHBondContact CD1-O 3.37Å; L345-V358 HydrophobicContact CD2-CG1 4.33Å
359	Y	92.9	Very high	92.6	Very high	114 Å²	114	61.2 Å²	61.2	45%	0.447	33%	0.329	S	S	.	.			trans	-157.7	160.6	176.2	60.9	-86.2	0	0	0	111.7	Q335 G356 K361	Q335-Y359 PolarHBondContact NE2-O 2.93Å; G356-Y359 WeakPolarHBondContact O-CD1 3.45Å; Y359-K361 HydrophobicContact CD2-CG 4.19Å; Y359-K361 HydrophobicContact CE2-CD 4.41Å; Y359-K361 HydrophobicContact CE2-CG 3.71Å
360	A	93.1	Very high	92.6	Very high	9 Å²	9	64 Å²	64	7%	0.074	35%	0.346	C	S	.	.			trans	-76.4	125.3	176.9	0	0	0	0	0	111.8	I318 E322 R366 M369	I318-A360 HydrophobicContact CD1-CB 4.25Å; E322-A360 WeakPolarHBondContact OE1-CB 3.32Å; A360-R366 HydrophobicContact CB-CG 4.24Å; A360-R366 WeakPolarHBondContact O-CG 3.26Å; A360-R366 PolarHBondContact O-NE 2.73Å; A360-M369 HydrophobicContact CB-CG 4.09Å
361	K	90.6	Very high	92.7	Very high	103 Å²	103	70.5 Å²	70.5	45%	0.448	38%	0.375	S	S	.	.			trans	-97.2	-30.8	174.7	-75.5	-176.7	-162.4	127.4	0	112.8	E322 Y359	E322-K361 PolarHBondContact OE1-N 2.91Å; E322-K361 PolarHBondContact OE2-N 2.91Å; Y359-K361 HydrophobicContact CD2-CG 4.19Å; Y359-K361 HydrophobicContact CE2-CD 4.41Å; Y359-K361 HydrophobicContact CE2-CG 3.71Å
362	T	93	Very high	92.9	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.367	C	S	.	.	S	Bend	trans	-69.2	154.2	179.6	71	0	0	0	0	111.7	V321 E322 G365 R366	V321-T362 WeakPolarHBondContact CG1-OG1 3.4Å; E322-T362 WeakPolarHBondContact OE1-CB 3.15Å; E322-T362 PolarHBondContact OE1-N 3.03Å; E322-T362 PolarHBondContact OE1-OG1 3.43Å; E322-T362 PolarHBondContact OE2-N 3.38Å; T362-G365 PolarHBondContact O-N 3.1Å; T362-G365 WeakPolarHBondContact OG1-CA 3.43Å; T362-G365 PolarHBondContact OG1-N 3.09Å; T362-R366 WeakPolarHBondContact O-CB 3.3Å; T362-R366 VanDerWaalsContact O-CG 3.29Å; T362-R366 WeakPolarHBondContact O-CG 3.33Å; T362-R366 PolarHBondContact O-N 3.38Å
363	T	91.5	Very high	92.9	Very high	78 Å²	78	68.7 Å²	68.7	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-43.8	178.9	-43.6	0	0	0	0	110.2	D326 W328 R366 L367	D326-T363 PolarHBondContact OD1-N 3.21Å; D326-T363 WeakPolarHBondContact OD2-CB 3.33Å; D326-T363 PolarHBondContact OD2-N 2.87Å; D326-T363 PolarHBondContact OD2-OG1 2.77Å; W328-T363 HydrophobicContact CZ2-CG2 4.26Å; T363-R366 PolarHBondContact O-N 3.31Å; T363-L367 WeakPolarHBondContact O-CB 3.36Å; T363-L367 PolarHBondContact O-N 3.01Å
364	L	90.8	Very high	92.8	Very high	63 Å²	63	71.3 Å²	71.3	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-42.5	172.8	-75.2	170.3	0	0	0	112.3	V321 D326 W328 L367 F368	V321-L364 HydrophobicContact CG1-CB 3.57Å; D326-L364 WeakPolarHBondContact OD1-CB 3.29Å; D326-L364 WeakPolarHBondContact OD1-CG 3.18Å; D326-L364 PolarHBondContact OD1-N 3.38Å; W328-L364 HydrophobicContact CH2-CD1 4Å; W328-L364 HydrophobicContact CH2-CD2 3.79Å; W328-L364 HydrophobicContact CH2-CG 3.63Å; W328-L364 HydrophobicContact CZ2-CG 4.08Å; W328-L364 HydrophobicContact CZ3-CD1 4.49Å; L364-L367 PolarHBondContact O-N 3.07Å; L364-F368 PolarHBondContact O-N 3.48Å
365	G	93.1	Very high	92.8	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-44.6	178.9	0	0	0	0	0	112	T362 L367 F368 M369	T362-G365 PolarHBondContact O-N 3.1Å; T362-G365 WeakPolarHBondContact OG1-CA 3.43Å; T362-G365 PolarHBondContact OG1-N 3.09Å; G365-L367 PolarHBondContact O-N 3.09Å; G365-F368 PolarHBondContact O-N 2.88Å; G365-M369 VanDerWaalsContact O-CG 3.26Å; G365-M369 WeakPolarHBondContact O-CG 3.41Å; G365-M369 PolarHBondContact O-N 2.92Å
366	R	93.5	Very high	92.6	Very high	139 Å²	139	62.9 Å²	62.9	53%	0.525	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-42.4	173.7	-72.5	170.5	179.4	-175	0.9	112.7	A360 T362 T363 F368 M369 V370	A360-R366 HydrophobicContact CB-CG 4.24Å; A360-R366 WeakPolarHBondContact O-CG 3.26Å; A360-R366 PolarHBondContact O-NE 2.73Å; T362-R366 WeakPolarHBondContact O-CB 3.3Å; T362-R366 VanDerWaalsContact O-CG 3.29Å; T362-R366 WeakPolarHBondContact O-CG 3.33Å; T362-R366 PolarHBondContact O-N 3.38Å; T363-R366 PolarHBondContact O-N 3.31Å; R366-F368 VanDerWaalsContact C-N 3.35Å; R366-M369 PolarHBondContact O-N 2.86Å; R366-V370 PolarHBondContact O-N 2.75Å; R366-V370 VanDerWaalsContact O-N 3.08Å
367	L	94.6	Very high	92.5	Very high	98 Å²	98	64.5 Å²	64.5	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-43.9	175.6	-178.7	62.2	0	0	0	111.4	T363 L364 G365 V370 F371	T363-L367 WeakPolarHBondContact O-CB 3.36Å; T363-L367 PolarHBondContact O-N 3.01Å; L364-L367 PolarHBondContact O-N 3.07Å; G365-L367 PolarHBondContact O-N 3.09Å; L367-V370 PolarHBondContact O-N 3.27Å; L367-F371 HydrophobicContact CD1-CD2 4.39Å; L367-F371 HydrophobicContact CD1-CE2 3.76Å; L367-F371 HydrophobicContact CG-CD2 4.41Å; L367-F371 HydrophobicContact CG-CE2 4.01Å; L367-F371 VanDerWaalsContact O-CD2 3.26Å; L367-F371 WeakPolarHBondContact O-CD2 3.39Å; L367-F371 PolarHBondContact O-N 3.07Å
368	F	95.3	Very high	92.4	Very high	42 Å²	42	63 Å²	63	18%	0.184	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-45.2	173.3	176.8	-101.8	0	0	0	112	A314 F317 I318 L364 G365 R366 V370 F371 F372	A314-F368 HydrophobicContact CB-CE1 4.39Å; A314-F368 HydrophobicContact CB-CZ 3.89Å; F317-F368 HydrophobicContact CB-CE2 4.48Å; F317-F368 HydrophobicContact CB-CZ 4.32Å; F317-F368 HydrophobicContact CD1-CB 4.32Å; F317-F368 AromaticContact CD1-CD1 3.99Å; F317-F368 HydrophobicContact CD1-CD1 3.99Å; F317-F368 AromaticContact CD1-CD2 3.37Å; F317-F368 HydrophobicContact CD1-CD2 3.37Å; F317-F368 HydrophobicContact CD1-CE1 4.12Å; F317-F368 AromaticContact CD1-CE2 3.53Å; F317-F368 HydrophobicContact CD1-CE2 3.53Å; F317-F368 AromaticContact CD1-CG 3.61Å; F317-F368 HydrophobicContact CD1-CG 3.61Å; F317-F368 AromaticContact CD1-CZ 3.9Å; F317-F368 HydrophobicContact CD1-CZ 3.9Å; F317-F368 HydrophobicContact CE1-CB 3.94Å; F317-F368 HydrophobicContact CE1-CD1 4.46Å; F317-F368 AromaticContact CE1-CD2 3.41Å; F317-F368 HydrophobicContact CE1-CD2 3.41Å; F317-F368 VanDerWaalsContact CE1-CD2 3.41Å; F317-F368 HydrophobicContact CE1-CE2 4.01Å; F317-F368 AromaticContact CE1-CG 3.67Å; F317-F368 HydrophobicContact CE1-CG 3.67Å; F317-F368 HydrophobicContact CG-CD2 4.34Å; F317-F368 HydrophobicContact CG-CE2 4.11Å; F317-F368 HydrophobicContact CG-CZ 4.39Å; F317-F368 HydrophobicContact CZ-CD2 4.4Å; I318-F368 HydrophobicContact CB-CD1 4.16Å; I318-F368 HydrophobicContact CB-CE1 4.21Å; I318-F368 HydrophobicContact CD1-CD1 4.29Å; L364-F368 PolarHBondContact O-N 3.48Å; G365-F368 PolarHBondContact O-N 2.88Å; R366-F368 VanDerWaalsContact C-N 3.35Å; F368-V370 VanDerWaalsContact C-N 3.28Å; F368-V370 PolarHBondContact O-N 3.42Å; F368-F371 PolarHBondContact O-N 3.04Å; F368-F371 VanDerWaalsContact O-N 3.17Å; F368-F372 HydrophobicContact CD1-CB 4.37Å; F368-F372 HydrophobicContact CE1-CB 4.04Å; F368-F372 HydrophobicContact CE1-CD2 4.36Å; F368-F372 HydrophobicContact CE1-CG 4.24Å; F368-F372 HydrophobicContact CZ-CB 4.24Å; F368-F372 HydrophobicContact CZ-CD2 4.17Å; F368-F372 HydrophobicContact CZ-CG 4.43Å; F368-F372 VanDerWaalsContact O-CB 3.32Å; F368-F372 WeakPolarHBondContact O-CB 3.34Å; F368-F372 PolarHBondContact O-N 3.4Å
369	M	93.6	Very high	92.2	Very high	20 Å²	20	63.8 Å²	63.8	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-34.9	178.9	-70.3	-63.5	-76.6	0	0	112.6	I318 L345 L346 T349 A360 G365 R366 F372 I373	I318-M369 HydrophobicContact CD1-CG 4.5Å; L345-M369 HydrophobicContact CD1-CE 4.05Å; L345-M369 HydrophobicContact CD2-CE 4.33Å; L345-M369 HydrophobicContact CG-CE 4.06Å; L346-M369 HydrophobicContact CD2-CE 3.91Å; L346-M369 HydrophobicContact CD2-SD 3.44Å; L346-M369 WeakPolarHBondContact CD2-SD 3.22Å; T349-M369 HydrophobicContact CG2-CE 3.81Å; T349-M369 WeakPolarHBondContact OG1-CE 3.28Å; A360-M369 HydrophobicContact CB-CG 4.09Å; G365-M369 VanDerWaalsContact O-CG 3.26Å; G365-M369 WeakPolarHBondContact O-CG 3.41Å; G365-M369 PolarHBondContact O-N 2.92Å; R366-M369 PolarHBondContact O-N 2.86Å; M369-F372 PolarHBondContact O-N 2.9Å; M369-I373 WeakPolarHBondContact O-CB 3.45Å; M369-I373 WeakPolarHBondContact O-CD1 3.48Å; M369-I373 WeakPolarHBondContact O-CG1 3.05Å; M369-I373 PolarHBondContact O-N 3.19Å
370	V	94.4	Very high	92.1	Very high	86 Å²	86	61 Å²	61	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-48.4	173.9	172.1	0	0	0	0	111.6	R366 L367 F368 L374	R366-V370 PolarHBondContact O-N 2.75Å; R366-V370 VanDerWaalsContact O-N 3.08Å; L367-V370 PolarHBondContact O-N 3.27Å; F368-V370 VanDerWaalsContact C-N 3.28Å; F368-V370 PolarHBondContact O-N 3.42Å; V370-L374 PolarHBondContact O-N 2.95Å
371	F	93.3	Very high	91.9	Very high	140 Å²	140	63.7 Å²	63.7	61%	0.614	34%	0.342	S	S	*	.	H	α-helix	trans	-66.3	-38.6	176.1	-69.7	-66.5	0	0	0	112.4	L367 F368 L374 G375	L367-F371 HydrophobicContact CD1-CD2 4.39Å; L367-F371 HydrophobicContact CD1-CE2 3.76Å; L367-F371 HydrophobicContact CG-CD2 4.41Å; L367-F371 HydrophobicContact CG-CE2 4.01Å; L367-F371 VanDerWaalsContact O-CD2 3.26Å; L367-F371 WeakPolarHBondContact O-CD2 3.39Å; L367-F371 PolarHBondContact O-N 3.07Å; F368-F371 PolarHBondContact O-N 3.04Å; F368-F371 VanDerWaalsContact O-N 3.17Å; F371-L374 PolarHBondContact O-N 3.14Å; F371-G375 PolarHBondContact O-N 3.21Å; F371-G375 VanDerWaalsContact O-N 3.08Å
372	F	94.1	Very high	91.9	Very high	16 Å²	16	61.7 Å²	61.7	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-33.5	179.3	-177.5	-98.8	0	0	0	112.7	A314 L346 M350 F368 M369 G376	A314-F372 HydrophobicContact CB-CD2 3.78Å; A314-F372 HydrophobicContact CB-CE2 3.41Å; A314-F372 VanDerWaalsContact CB-CE2 3.41Å; A314-F372 HydrophobicContact CB-CZ 4.23Å; L346-F372 HydrophobicContact CB-CE1 3.78Å; L346-F372 HydrophobicContact CB-CZ 3.91Å; L346-F372 HydrophobicContact CD1-CD1 4.47Å; L346-F372 HydrophobicContact CD1-CE1 3.97Å; L346-F372 HydrophobicContact CD1-CE2 4.08Å; L346-F372 HydrophobicContact CD1-CZ 3.75Å; L346-F372 HydrophobicContact CD2-CD1 3.83Å; L346-F372 HydrophobicContact CD2-CE1 3.69Å; L346-F372 HydrophobicContact CD2-CZ 4.33Å; L346-F372 HydrophobicContact CG-CE1 4Å; L346-F372 HydrophobicContact CG-CZ 4.21Å; M350-F372 HydrophobicContact CE-CZ 4.29Å; M350-F372 HydrophobicContact CG-CE1 3.59Å; M350-F372 HydrophobicContact CG-CZ 3.55Å; M350-F372 HydrophobicContact SD-CE1 4.27Å; M350-F372 HydrophobicContact SD-CE2 4.42Å; M350-F372 HydrophobicContact SD-CZ 3.59Å; M350-F372 VanDerWaalsContact SD-CZ 3.59Å; F368-F372 HydrophobicContact CD1-CB 4.37Å; F368-F372 HydrophobicContact CE1-CB 4.04Å; F368-F372 HydrophobicContact CE1-CD2 4.36Å; F368-F372 HydrophobicContact CE1-CG 4.24Å; F368-F372 HydrophobicContact CZ-CB 4.24Å; F368-F372 HydrophobicContact CZ-CD2 4.17Å; F368-F372 HydrophobicContact CZ-CG 4.43Å; F368-F372 VanDerWaalsContact O-CB 3.32Å; F368-F372 WeakPolarHBondContact O-CB 3.34Å; F368-F372 PolarHBondContact O-N 3.4Å; M369-F372 PolarHBondContact O-N 2.9Å; F372-G376 VanDerWaalsContact O-CA 3.23Å; F372-G376 WeakPolarHBondContact O-CA 3.46Å; F372-G376 PolarHBondContact O-N 3.25Å
373	I	93.8	Very high	91.8	Very high	83 Å²	83	64.4 Å²	64.4	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-46.2	171.8	-74.8	161.3	0	0	0	110.2	T349 M369 L377	T349-I373 HydrophobicContact CG2-CD1 4.08Å; T349-I373 HydrophobicContact CG2-CG1 3.46Å; T349-I373 VanDerWaalsContact CG2-CG1 3.46Å; M369-I373 WeakPolarHBondContact O-CB 3.45Å; M369-I373 WeakPolarHBondContact O-CD1 3.48Å; M369-I373 WeakPolarHBondContact O-CG1 3.05Å; M369-I373 PolarHBondContact O-N 3.19Å; I373-L377 WeakPolarHBondContact O-CB 3.41Å; I373-L377 PolarHBondContact O-N 3.25Å
374	L	91.5	Very high	91.7	Very high	127 Å²	127	62.5 Å²	62.5	67%	0.665	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-47.2	180	-67.5	171.6	0	0	0	112.6	V370 F371	V370-L374 PolarHBondContact O-N 2.95Å; F371-L374 PolarHBondContact O-N 3.14Å
375	G	90.6	Very high	91.7	Very high	36 Å²	36	63.1 Å²	63.1	37%	0.371	35%	0.347	S	S	.	.	H	α-helix	trans	-76.7	-42.3	178.9	0	0	0	0	0	113.7	F371 A378 M379	F371-G375 PolarHBondContact O-N 3.21Å; F371-G375 VanDerWaalsContact O-N 3.08Å; G375-A378 PolarHBondContact O-N 2.9Å; G375-M379 WeakPolarHBondContact O-CG 3.45Å; G375-M379 PolarHBondContact O-N 2.73Å
376	G	88.9	Confident	91.6	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-66.7	-39.4	-177.6	0	0	0	0	0	113.1	F372 M379 F380	F372-G376 VanDerWaalsContact O-CA 3.23Å; F372-G376 WeakPolarHBondContact O-CA 3.46Å; F372-G376 PolarHBondContact O-N 3.25Å; G376-M379 PolarHBondContact O-N 2.71Å; G376-F380 VanDerWaalsContact O-CB 3.28Å; G376-F380 WeakPolarHBondContact O-CB 3.19Å; G376-F380 PolarHBondContact O-N 3.32Å
377	L	89.8	Confident	91.4	Very high	82 Å²	82	60.2 Å²	60.2	43%	0.429	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-43.7	173.4	-179.6	58.9	0	0	0	111.4	T352 I373 F380 A381	T352-L377 HydrophobicContact CG2-CD1 3.64Å; I373-L377 WeakPolarHBondContact O-CB 3.41Å; I373-L377 PolarHBondContact O-N 3.25Å; L377-F380 PolarHBondContact O-N 3.04Å; L377-A381 VanDerWaalsContact O-CB 3.22Å; L377-A381 WeakPolarHBondContact O-CB 3.4Å; L377-A381 PolarHBondContact O-N 3.2Å
378	A	89.7	Confident	91	Very high	62 Å²	62	60.8 Å²	60.8	51%	0.512	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-40.2	178.4	0	0	0	0	0	112.5	G375 S382	G375-A378 PolarHBondContact O-N 2.9Å; A378-S382 WeakPolarHBondContact O-CB 3.18Å; A378-S382 PolarHBondContact O-N 3.33Å; A378-S382 PolarHBondContact O-OG 2.99Å
379	M	89.2	Confident	90.5	Very high	40 Å²	40	65.1 Å²	65.1	20%	0.197	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-45	173.5	-70.7	-172.2	-60	0	0	112.1	T310 G375 G376 S382 Y383	T310-M379 HydrophobicContact CG2-CE 3.82Å; T310-M379 HydrophobicContact CG2-SD 4.1Å; G375-M379 WeakPolarHBondContact O-CG 3.45Å; G375-M379 PolarHBondContact O-N 2.73Å; G376-M379 PolarHBondContact O-N 2.71Å; M379-S382 PolarHBondContact O-N 3.31Å; M379-S382 PolarHBondContact O-OG 3.07Å; M379-Y383 WeakPolarHBondContact O-CB 3.35Å; M379-Y383 PolarHBondContact O-N 2.85Å
380	F	89.9	Confident	90.2	Very high	55 Å²	55	65.8 Å²	65.8	24%	0.241	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-46.6	-178.7	-170.1	-87.1	0	0	0	111.4	F307 M350 G376 L377 S382 V384	F307-F380 HydrophobicContact CE2-CD2 4.28Å; F307-F380 HydrophobicContact CZ-CD2 4.3Å; M350-F380 HydrophobicContact CB-CB 4.36Å; M350-F380 HydrophobicContact CB-CD2 4.05Å; M350-F380 HydrophobicContact CB-CG 4.45Å; M350-F380 WeakPolarHBondContact O-CG 3.44Å; G376-F380 VanDerWaalsContact O-CB 3.28Å; G376-F380 WeakPolarHBondContact O-CB 3.19Å; G376-F380 PolarHBondContact O-N 3.32Å; L377-F380 PolarHBondContact O-N 3.04Å; F380-S382 PolarHBondContact O-N 2.71Å; F380-V384 HydrophobicContact CD1-CG2 4.39Å; F380-V384 HydrophobicContact CD2-CG2 3.81Å; F380-V384 HydrophobicContact CE1-CG2 4.45Å; F380-V384 HydrophobicContact CE2-CG2 3.89Å; F380-V384 HydrophobicContact CG-CG2 4.08Å; F380-V384 HydrophobicContact CZ-CG2 4.2Å; F380-V384 WeakPolarHBondContact O-CB 3.42Å; F380-V384 WeakPolarHBondContact O-CG2 3.39Å; F380-V384 PolarHBondContact O-N 2.68Å
381	A	88.4	Confident	89.7	Confident	66 Å²	66	65.9 Å²	65.9	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-18.2	-179.9	0	0	0	0	0	114.3	L377 P385	L377-A381 VanDerWaalsContact O-CB 3.22Å; L377-A381 WeakPolarHBondContact O-CB 3.4Å; L377-A381 PolarHBondContact O-N 3.2Å; A381-P385 WeakPolarHBondContact O-CG 3.39Å
382	S	90.4	Very high	88.8	Confident	61 Å²	61	61.9 Å²	61.9	43%	0.427	36%	0.363	S	S	.	.	H	α-helix	trans	-101.2	-51	177.5	53.9	0	0	0	0	112.9	A378 M379 F380	A378-S382 WeakPolarHBondContact O-CB 3.18Å; A378-S382 PolarHBondContact O-N 3.33Å; A378-S382 PolarHBondContact O-OG 2.99Å; M379-S382 PolarHBondContact O-N 3.31Å; M379-S382 PolarHBondContact O-OG 3.07Å; F380-S382 PolarHBondContact O-N 2.71Å
383	Y	91.4	Very high	87.6	Confident	58 Å²	58	66.3 Å²	66.3	23%	0.227	39%	0.387	C	S	.	.	H	α-helix	trans	-75.8	-35.4	-173	-67	-1.9	0	0	0	113	L303 I306 F307 M379 E386 I387	L303-Y383 HydrophobicContact CD2-CD1 3.67Å; L303-Y383 HydrophobicContact CD2-CD2 4.38Å; L303-Y383 HydrophobicContact CD2-CE1 3.83Å; L303-Y383 HydrophobicContact CD2-CG 3.97Å; I306-Y383 HydrophobicContact CB-CE2 4.37Å; I306-Y383 HydrophobicContact CG2-CE2 3.91Å; F307-Y383 HydrophobicContact CB-CD2 4.31Å; F307-Y383 HydrophobicContact CD2-CD2 4.47Å; M379-Y383 WeakPolarHBondContact O-CB 3.35Å; M379-Y383 PolarHBondContact O-N 2.85Å; Y383-E386 PolarHBondContact O-N 1.99Å; Y383-I387 WeakPolarHBondContact O-CB 3.41Å; Y383-I387 WeakPolarHBondContact O-CD1 3.38Å; Y383-I387 WeakPolarHBondContact O-CG1 3.47Å; Y383-I387 PolarHBondContact O-N 3.29Å
384	V	89.5	Confident	86.5	Confident	38 Å²	38	72.1 Å²	72.1	23%	0.23	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-46.8	-176.4	179.2	0	0	0	0	112.1	F307 F380 E386 I387 I388	F307-V384 HydrophobicContact CE2-CG2 4.36Å; F380-V384 HydrophobicContact CD1-CG2 4.39Å; F380-V384 HydrophobicContact CD2-CG2 3.81Å; F380-V384 HydrophobicContact CE1-CG2 4.45Å; F380-V384 HydrophobicContact CE2-CG2 3.89Å; F380-V384 HydrophobicContact CG-CG2 4.08Å; F380-V384 HydrophobicContact CZ-CG2 4.2Å; F380-V384 WeakPolarHBondContact O-CB 3.42Å; F380-V384 WeakPolarHBondContact O-CG2 3.39Å; F380-V384 PolarHBondContact O-N 2.68Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 2.69Å; V384-I387 PolarHBondContact O-N 2.78Å; V384-I388 HydrophobicContact CG1-CD1 3.89Å; V384-I388 VanDerWaalsContact O-CG1 3.29Å; V384-I388 WeakPolarHBondContact O-CG1 3.39Å; V384-I388 PolarHBondContact O-N 2.81Å
385	P	91.5	Very high	85.5	Confident	75 Å²	75	73 Å²	73	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-59.7	-42	173	-25.1	36.1	0	0	0	113.1	A381 I388 E389	A381-P385 WeakPolarHBondContact O-CG 3.39Å; P385-I388 PolarHBondContact O-N 2.81Å; P385-E389 PolarHBondContact O-N 2.88Å
386	E	89.9	Confident	85.1	Confident	59 Å²	59	77.7 Å²	77.7	28%	0.276	41%	0.412	S	S	.	.	H	α-helix	trans	-67.7	-37.2	-178.7	-170.6	168	-121.8	0	0	112.5	K299 L303 Y383 V384 L390	K299-E386 WeakPolarHBondContact CE-OE1 3.22Å; K299-E386 WeakPolarHBondContact CE-OE2 3.45Å; K299-E386 VanDerWaalsContact NZ-CD 3.32Å; K299-E386 IonicContact NZ-OE1 2.65Å; K299-E386 PolarHBondContact NZ-OE1 3.47Å; K299-E386 IonicContact NZ-OE2 3.2Å; L303-E386 HydrophobicContact CD1-CB 4.34Å; L303-E386 HydrophobicContact CD1-CG 3.82Å; L303-E386 VanDerWaalsContact CD1-OE2 3.25Å; L303-E386 WeakPolarHBondContact CD1-OE2 3.43Å; Y383-E386 PolarHBondContact O-N 1.99Å; V384-E386 VanDerWaalsContact C-N 3.35Å; V384-E386 PolarHBondContact O-N 2.69Å; E386-L390 HydrophobicContact CG-CD1 4.32Å; E386-L390 WeakPolarHBondContact O-CB 3.48Å; E386-L390 VanDerWaalsContact O-CG 3.25Å; E386-L390 WeakPolarHBondContact O-CG 3.34Å; E386-L390 PolarHBondContact O-N 2.96Å
387	I	90	Very high	85	Confident	19 Å²	19	79.6 Å²	79.6	10%	0.097	42%	0.419	C	S	.	.	H	α-helix	trans	-63.9	-43.1	171	-72.8	163.9	0	0	0	110.8	L300 L303 L304 Y383 V384 L390 I391	L300-I387 HydrophobicContact CD1-CB 4.4Å; L300-I387 HydrophobicContact CD1-CG1 4.3Å; L300-I387 HydrophobicContact CD1-CG2 3.99Å; L303-I387 HydrophobicContact CB-CD1 4.11Å; L303-I387 HydrophobicContact CB-CG1 3.96Å; L303-I387 HydrophobicContact CD1-CG1 4.3Å; L304-I387 HydrophobicContact CD2-CD1 3.96Å; L304-I387 HydrophobicContact CD2-CG2 4.29Å; L304-I387 HydrophobicContact CG-CD1 4.29Å; Y383-I387 WeakPolarHBondContact O-CB 3.41Å; Y383-I387 WeakPolarHBondContact O-CD1 3.38Å; Y383-I387 WeakPolarHBondContact O-CG1 3.47Å; Y383-I387 PolarHBondContact O-N 3.29Å; V384-I387 PolarHBondContact O-N 2.78Å; I387-L390 PolarHBondContact O-N 3.33Å; I387-I391 HydrophobicContact CG2-CD1 3.77Å; I387-I391 VanDerWaalsContact O-CG1 3.29Å; I387-I391 WeakPolarHBondContact O-CG1 3Å; I387-I391 PolarHBondContact O-N 3.43Å; I387-I391 VanDerWaalsContact O-N 3.07Å
388	I	86.6	Confident	84.7	Confident	110 Å²	110	77.1 Å²	77.1	56%	0.564	41%	0.414	S	S	*	.	H	α-helix	trans	-64.1	-42.8	177.9	-70.4	167.2	0	0	0	111	V384 P385 I391 G392	V384-I388 HydrophobicContact CG1-CD1 3.89Å; V384-I388 VanDerWaalsContact O-CG1 3.29Å; V384-I388 WeakPolarHBondContact O-CG1 3.39Å; V384-I388 PolarHBondContact O-N 2.81Å; P385-I388 PolarHBondContact O-N 2.81Å; I388-I391 PolarHBondContact O-N 3.41Å; I388-G392 WeakPolarHBondContact O-CA 3.26Å; I388-G392 PolarHBondContact O-N 3.26Å
389	E	85.2	Confident	84.7	Confident	134 Å²	134	76.8 Å²	76.8	63%	0.626	42%	0.417	S	S	*	.	H	α-helix	trans	-62.3	-47.5	176.6	-168	-170.4	155.6	0	0	111.6	P385 I391 G392 N393	P385-E389 PolarHBondContact O-N 2.88Å; E389-I391 VanDerWaalsContact C-N 3.28Å; E389-I391 PolarHBondContact O-N 3.33Å; E389-G392 PolarHBondContact O-N 3.48Å; E389-G392 VanDerWaalsContact O-N 3.17Å; E389-N393 WeakPolarHBondContact O-CB 3.43Å; E389-N393 PolarHBondContact O-N 3.27Å
390	L	85.9	Confident	84.8	Confident	34 Å²	34	78.3 Å²	78.3	18%	0.178	43%	0.431	C	S	.	.	H	α-helix	trans	-62.9	-31.3	179.2	-73.3	169.1	0	0	0	113.3	N296 K299 L300 L303 E386 I387	N296-L390 HydrophobicContact CB-CD2 4Å; K299-L390 HydrophobicContact CB-CD1 4.37Å; K299-L390 HydrophobicContact CD-CD1 4.18Å; K299-L390 HydrophobicContact CG-CD1 4.08Å; L300-L390 HydrophobicContact CB-CB 4.45Å; L300-L390 HydrophobicContact CB-CD1 4.18Å; L300-L390 HydrophobicContact CD1-CB 4.25Å; L303-L390 HydrophobicContact CD1-CD1 3.93Å; E386-L390 HydrophobicContact CG-CD1 4.32Å; E386-L390 WeakPolarHBondContact O-CB 3.48Å; E386-L390 VanDerWaalsContact O-CG 3.25Å; E386-L390 WeakPolarHBondContact O-CG 3.34Å; E386-L390 PolarHBondContact O-N 2.96Å; I387-L390 PolarHBondContact O-N 3.33Å
391	I	84.1	Confident	85	Confident	87 Å²	87	76 Å²	76	45%	0.446	42%	0.42	S	S	.	.	H	α-helix	trans	-81.2	-36.4	174.2	-67.3	168.9	0	0	0	111.5	L300 I387 I388 E389	L300-I391 HydrophobicContact CD1-CD1 4.26Å; L300-I391 HydrophobicContact CD1-CG1 4.05Å; L300-I391 HydrophobicContact CD2-CG1 4.04Å; I387-I391 HydrophobicContact CG2-CD1 3.77Å; I387-I391 VanDerWaalsContact O-CG1 3.29Å; I387-I391 WeakPolarHBondContact O-CG1 3Å; I387-I391 PolarHBondContact O-N 3.43Å; I387-I391 VanDerWaalsContact O-N 3.07Å; I388-I391 PolarHBondContact O-N 3.41Å; E389-I391 VanDerWaalsContact C-N 3.28Å; E389-I391 PolarHBondContact O-N 3.33Å
392	G	73.6	Confident	85.1	Confident	57 Å²	57	77.5 Å²	77.5	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-75.9	-22.5	-176.2	0	0	0	0	0	114.6	I388 E389 R394	I388-G392 WeakPolarHBondContact O-CA 3.26Å; I388-G392 PolarHBondContact O-N 3.26Å; E389-G392 PolarHBondContact O-N 3.48Å; E389-G392 VanDerWaalsContact O-N 3.17Å; G392-R394 PolarHBondContact O-N 3.08Å
393	N	70.5	Confident	84.8	Confident	109 Å²	109	77.1 Å²	77.1	58%	0.583	43%	0.428	S	S	*	.			trans	-74.2	46.3	-179.9	-157.4	-18.3	0	0	0	113.5	E389	E389-N393 WeakPolarHBondContact O-CB 3.43Å; E389-N393 PolarHBondContact O-N 3.27Å
394	R	69.5	Low	84.5	Confident	205 Å²	205	77.6 Å²	77.6	77%	0.774	44%	0.437	S	S	*	.			trans	-83.6	121	167.2	-65.3	-177.4	-179.8	-160.4	-1.8	108.2	G392 K396	G392-R394 PolarHBondContact O-N 3.08Å; R394-K396 PolarHBondContact O-N 2.65Å
395	K	71.4	Confident	84.1	Confident	144 Å²	144	81.9 Å²	81.9	63%	0.626	47%	0.468	S	S	*	.			trans	-61.3	102.6	174.5	-70.6	-169.9	173.7	-169.1	0	110.6	Y397 G398	K395-Y397 PolarHBondContact O-N 2.86Å; K395-Y397 VanDerWaalsContact O-N 3.15Å; K395-G398 PolarHBondContact O-N 3.34Å
396	K	81.4	Confident	83.7	Confident	136 Å²	136	82.2 Å²	82.2	59%	0.591	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-36.8	178.2	179.1	177.6	173.1	-174.8	0	113.4	R394 E453	R394-K396 PolarHBondContact O-N 2.65Å; K396-E453 IonicContact NZ-OE1 2.7Å; K396-E453 PolarHBondContact NZ-OE1 3.1Å; K396-E453 IonicContact NZ-OE2 3.62Å; K396-E453 PolarHBondContact NZ-OE2 2.95Å
397	Y	87.7	Confident	83.4	Confident	40 Å²	40	84.8 Å²	84.8	16%	0.157	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	30.9	-179.7	-60.9	-70.7	0	0	0	112.9	K395 P448 E453 F465 Q467	K395-Y397 PolarHBondContact O-N 2.86Å; K395-Y397 VanDerWaalsContact O-N 3.15Å; Y397-P448 HydrophobicContact CD2-CG 4.24Å; Y397-P448 HydrophobicContact CE2-CG 3.64Å; Y397-E453 VanDerWaalsContact OH-CG 3.29Å; Y397-E453 WeakPolarHBondContact OH-CG 3.24Å; Y397-E453 PolarHBondContact OH-OE1 3.24Å; Y397-E453 PolarHBondContact OH-OE2 3.22Å; Y397-F465 HydrophobicContact CD1-CB 4.45Å; Y397-F465 AromaticContact CD1-CD1 3.65Å; Y397-F465 HydrophobicContact CD1-CD1 3.65Å; Y397-F465 HydrophobicContact CD1-CE1 4.47Å; Y397-F465 WeakPolarHBondContact CD1-O 3.32Å; Y397-F465 HydrophobicContact CD2-CD1 4.21Å; Y397-F465 HydrophobicContact CD2-CE1 4.3Å; Y397-F465 HydrophobicContact CE1-CD1 4.27Å; Y397-F465 AromaticContact CG-CD1 3.61Å; Y397-F465 HydrophobicContact CG-CD1 3.61Å; Y397-F465 AromaticContact CG-CE1 3.99Å; Y397-F465 HydrophobicContact CG-CE1 3.99Å; Y397-Q467 PolarHBondContact O-N 2.89Å
398	G	83.5	Confident	83.5	Confident	31 Å²	31	89 Å²	89	32%	0.32	51%	0.51	S	S	.	.			trans	-77.8	-159	165.6	0	0	0	0	0	112.2	K395 Y466	K395-G398 PolarHBondContact O-N 3.34Å; G398-Y466 WeakPolarHBondContact O-CD1 3.47Å; G398-Y466 WeakPolarHBondContact O-CE1 3.25Å
399	G	89.6	Confident	83.9	Confident	55 Å²	55	83.9 Å²	83.9	57%	0.567	48%	0.484	S	S	*	.	S	Bend	trans	74.6	-175.3	-175.3	0	0	0	0	0	113.1	R478	G399-R478 WeakPolarHBondContact O-CD 3.4Å; G399-R478 WeakPolarHBondContact O-CG 3.44Å; G399-R478 PolarHBondContact O-NH1 3.08Å
400	S	91.5	Very high	84.5	Confident	71 Å²	71	77.5 Å²	77.5	50%	0.497	45%	0.454	S	S	.	.			trans	-131.1	145.9	-176.4	57.5	0	0	0	0	111.4	Y466 R478	S400-Y466 VanDerWaalsContact C-OH 3.26Å; S400-Y466 PolarHBondContact O-OH 2.92Å; S400-R478 CarbonylContact C-O 3.55Å; S400-R478 VanDerWaalsContact CA-O 3.28Å; S400-R478 WeakPolarHBondContact CA-O 3.49Å; S400-R478 WeakPolarHBondContact CB-O 3.16Å
401	Y	94.4	Very high	85	Confident	6 Å²	6	76 Å²	76	2%	0.024	45%	0.446	C	S	.	.			trans	-60.6	138.4	174.2	173.8	-113.7	0	0	0	111.3	A403 H409 E439 V441 E464 Y466 R478 K480	Y401-A403 HydrophobicContact CD1-CB 4.41Å; Y401-A403 HydrophobicContact CE1-CB 3.87Å; Y401-H409 AromaticContact CD1-CD2 3.87Å; Y401-H409 AromaticContact CD1-CE1 3.94Å; Y401-H409 AromaticContact CD1-NE2 3.68Å; Y401-H409 HydrophobicContact CE1-CB 4.06Å; Y401-H409 AromaticContact CE1-CD2 3.56Å; Y401-H409 AromaticContact CE1-CE1 3.51Å; Y401-H409 AromaticContact CE1-CG 3.42Å; Y401-H409 VanDerWaalsContact CE1-CG 3.42Å; Y401-H409 AromaticContact CE1-ND1 3.4Å; Y401-H409 WeakPolarHBondContact CE1-ND1 3.33Å; Y401-H409 AromaticContact CE1-NE2 3.6Å; Y401-H409 AromaticContact CZ-CG 3.78Å; Y401-E439 PolarHBondContact OH-OE2 3.34Å; Y401-V441 HydrophobicContact CD1-CG2 4.45Å; Y401-V441 HydrophobicContact CD2-CG2 3.77Å; Y401-V441 HydrophobicContact CE2-CG2 3.95Å; Y401-V441 HydrophobicContact CG-CG2 4.05Å; Y401-E464 WeakPolarHBondContact CD2-OE2 3.5Å; Y401-Y466 VanDerWaalsContact CA-OH 3.3Å; Y401-Y466 WeakPolarHBondContact CA-OH 3.26Å; Y401-Y466 PolarHBondContact N-OH 3.46Å; Y401-R478 PolarHBondContact N-O 3.36Å; Y401-K480 HydrophobicContact CD1-CB 3.97Å; Y401-K480 HydrophobicContact CD1-CG 3.98Å
402	S	89.6	Confident	85.7	Confident	99 Å²	99	71.8 Å²	71.8	69%	0.692	43%	0.425	S	S	*	.			trans	-107.6	88.1	-177.4	-164.7	0	0	0	0	110.1	V404	S402-V404 PolarHBondContact O-N 2.91Å
403	A	83.9	Confident	86.8	Confident	53 Å²	53	69.1 Å²	69.1	44%	0.438	40%	0.397	S	S	.	.			trans	-55.5	111.3	-174.4	0	0	0	0	0	112.9	Y401 S405	Y401-A403 HydrophobicContact CD1-CB 4.41Å; Y401-A403 HydrophobicContact CE1-CB 3.87Å; A403-S405 PolarHBondContact O-N 3.03Å
404	V	86.3	Confident	88	Confident	68 Å²	68	64.3 Å²	64.3	41%	0.412	37%	0.373	S	S	.	.			trans	-78.9	118.8	-179.5	-178.9	0	0	0	0	110.3	S402 G406 R407	S402-V404 PolarHBondContact O-N 2.91Å; V404-G406 PolarHBondContact O-N 3.14Å; V404-R407 HydrophobicContact CB-CB 4.3Å; V404-R407 HydrophobicContact CB-CG 4.45Å; V404-R407 HydrophobicContact CG1-CG 4.23Å; V404-R407 PolarHBondContact O-N 3.36Å
405	S	80.6	Confident	89.2	Confident	128 Å²	128	57 Å²	57	90%	0.895	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	123.8	-179.8	-170.8	0	0	0	0	111.9	A403	A403-S405 PolarHBondContact O-N 3.03Å
406	G	81.8	Confident	90.4	Very high	82 Å²	82	50.5 Å²	50.5	85%	0.845	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-7.7	-178	0	0	0	0	0	115.2	V404	V404-G406 PolarHBondContact O-N 3.14Å
407	R	84.9	Confident	90.9	Very high	113 Å²	113	46.3 Å²	46.3	43%	0.426	31%	0.306	S	S	.	.			trans	-99.9	150.8	165.2	-65.9	-171.7	169.9	179.8	-7.1	110.2	V404 N437 E439	V404-R407 HydrophobicContact CB-CB 4.3Å; V404-R407 HydrophobicContact CB-CG 4.45Å; V404-R407 HydrophobicContact CG1-CG 4.23Å; V404-R407 PolarHBondContact O-N 3.36Å; R407-N437 HydrophobicContact CG-CB 4.47Å; R407-E439 WeakPolarHBondContact CD-OE1 3.36Å; R407-E439 IonicContact CZ-OE1 3.8Å; R407-E439 IonicContact NE-OE1 2.68Å; R407-E439 IonicContact NH1-OE1 2.76Å; R407-E439 PolarHBondContact NH1-OE1 3.24Å
408	K	91.8	Very high	91	Very high	107 Å²	107	47.5 Å²	47.5	47%	0.465	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	158.7	168	-78.8	177	160.8	-156.8	0	108.8	N437 V438 E439 D485	K408-N437 PolarHBondContact N-O 2.6Å; K408-V438 HydrophobicContact CB-CG2 3.86Å; K408-V438 WeakPolarHBondContact O-CA 3.36Å; K408-E439 PolarHBondContact O-N 3.1Å; K408-D485 HydrophobicContact CB-CB 4.35Å; K408-D485 HydrophobicContact CD-CB 4.16Å; K408-D485 WeakPolarHBondContact CD-OD2 3.32Å; K408-D485 WeakPolarHBondContact CE-OD1 3.28Å; K408-D485 HydrophobicContact CG-CB 4.42Å; K408-D485 IonicContact NZ-OD1 2.75Å; K408-D485 PolarHBondContact NZ-OD1 2.93Å; K408-D485 IonicContact NZ-OD2 2.61Å; K408-D485 PolarHBondContact NZ-OD2 3.09Å
409	H	95.3	Very high	91.1	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.6	165.9	75.2	-69.4	0	0	0	111.8	Y401 E439 V441 V479 K480 A484 D485	Y401-H409 AromaticContact CD1-CD2 3.87Å; Y401-H409 AromaticContact CD1-CE1 3.94Å; Y401-H409 AromaticContact CD1-NE2 3.68Å; Y401-H409 HydrophobicContact CE1-CB 4.06Å; Y401-H409 AromaticContact CE1-CD2 3.56Å; Y401-H409 AromaticContact CE1-CE1 3.51Å; Y401-H409 AromaticContact CE1-CG 3.42Å; Y401-H409 VanDerWaalsContact CE1-CG 3.42Å; Y401-H409 AromaticContact CE1-ND1 3.4Å; Y401-H409 WeakPolarHBondContact CE1-ND1 3.33Å; Y401-H409 AromaticContact CE1-NE2 3.6Å; Y401-H409 AromaticContact CZ-CG 3.78Å; H409-E439 CarbonylContact C-O 3.47Å; H409-E439 WeakPolarHBondContact CA-O 3.43Å; H409-E439 HydrophobicContact CB-CB 4.22Å; H409-E439 WeakPolarHBondContact CB-O 3.4Å; H409-V441 HydrophobicContact CB-CG2 4.27Å; H409-V479 PolarHBondContact NE2-O 2.73Å; H409-K480 PolarHBondContact CE1-O 2.63Å; H409-K480 VanDerWaalsContact CE1-O 3.29Å; H409-K480 PolarHBondContact NE2-O 3.2Å; H409-A484 WeakPolarHBondContact O-CA 3.4Å; H409-D485 PolarHBondContact O-N 2.72Å
410	I	96.6	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149	168.4	57.6	162.6	0	0	0	109.8	V412 F424 F428 V438 E439 I440 V441 A486 L488 Y1051	I410-V412 HydrophobicContact CD1-CG2 4.02Å; I410-V412 HydrophobicContact CG1-CG2 4.49Å; I410-F424 HydrophobicContact CD1-CE1 4.37Å; I410-F424 HydrophobicContact CD1-CZ 3.85Å; I410-F428 HydrophobicContact CD1-CD2 4.32Å; I410-F428 HydrophobicContact CD1-CE1 4.22Å; I410-F428 HydrophobicContact CD1-CE2 3.56Å; I410-F428 HydrophobicContact CD1-CZ 3.5Å; I410-F428 VanDerWaalsContact CD1-CZ 3.5Å; I410-F428 HydrophobicContact CG1-CZ 4.27Å; I410-V438 HydrophobicContact CG1-CG1 4.1Å; I410-V438 HydrophobicContact CG2-CG1 4.04Å; I410-E439 PolarHBondContact N-O 3.32Å; I410-I440 HydrophobicContact CD1-CG1 4.3Å; I410-I440 HydrophobicContact CD1-CG2 4.25Å; I410-I440 HydrophobicContact CG1-CB 4.44Å; I410-I440 HydrophobicContact CG1-CG1 4.27Å; I410-I440 HydrophobicContact CG1-CG2 4.29Å; I410-V441 PolarHBondContact O-N 2.73Å; I410-A486 WeakPolarHBondContact CA-O 3.21Å; I410-A486 HydrophobicContact CG2-CB 4.29Å; I410-L488 HydrophobicContact CB-CD1 4.31Å; I410-L488 HydrophobicContact CD1-CD1 4.17Å; I410-L488 HydrophobicContact CD1-CD2 4.42Å; I410-L488 HydrophobicContact CG2-CD1 4.41Å; I410-Y1051 HydrophobicContact CG2-CD2 4.27Å; I410-Y1051 HydrophobicContact CG2-CE1 4.37Å; I410-Y1051 HydrophobicContact CG2-CE2 3.65Å
411	V	97.9	Very high	91.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	173.5	177.4	0	0	0	0	109.1	V441 L443 V479 I481 A484 A486 C487 L488	V411-V441 CarbonylContact C-O 3.5Å; V411-V441 WeakPolarHBondContact CA-O 3.29Å; V411-L443 HydrophobicContact CG1-CB 4.33Å; V411-V479 HydrophobicContact CG1-CG2 3.93Å; V411-V479 HydrophobicContact CG2-CB 4.23Å; V411-V479 HydrophobicContact CG2-CG2 3.92Å; V411-I481 HydrophobicContact CB-CD1 3.64Å; V411-I481 HydrophobicContact CG1-CD1 4.02Å; V411-I481 HydrophobicContact CG2-CD1 3.66Å; V411-A484 HydrophobicContact CG2-CB 4Å; V411-A486 PolarHBondContact N-O 3.4Å; V411-A486 VanDerWaalsContact N-O 3.1Å; V411-C487 CarbonylContact O-C 3.43Å; V411-C487 VanDerWaalsContact O-CA 3.27Å; V411-C487 WeakPolarHBondContact O-CA 3.31Å; V411-C487 PolarHBondContact O-SG 2.65Å; V411-L488 PolarHBondContact O-N 3.07Å
412	V	98.1	Very high	90.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.3	177.3	-172.7	0	0	0	0	109.2	I410 F424 I440 V441 F442 L443 L488 L490	I410-V412 HydrophobicContact CD1-CG2 4.02Å; I410-V412 HydrophobicContact CG1-CG2 4.49Å; V412-F424 HydrophobicContact CG2-CE1 3.92Å; V412-F424 HydrophobicContact CG2-CZ 4.17Å; V412-I440 HydrophobicContact CG2-CG2 3.72Å; V412-V441 PolarHBondContact N-O 2.89Å; V412-F442 HydrophobicContact CB-CD1 3.7Å; V412-F442 HydrophobicContact CB-CE1 3.74Å; V412-F442 HydrophobicContact CB-CG 4.4Å; V412-F442 HydrophobicContact CB-CZ 4.47Å; V412-F442 HydrophobicContact CG1-CD1 3.85Å; V412-F442 HydrophobicContact CG1-CE1 3.61Å; V412-F442 HydrophobicContact CG2-CE1 4.22Å; V412-F442 HydrophobicContact CG2-CZ 4.5Å; V412-F442 CarbonylContact O-C 3.46Å; V412-F442 WeakPolarHBondContact O-CA 3.38Å; V412-L443 PolarHBondContact O-N 2.74Å; V412-L488 WeakPolarHBondContact CA-O 3.44Å; V412-L488 HydrophobicContact CG2-CB 4.4Å; V412-L490 HydrophobicContact CG1-CD1 3.87Å; V412-L490 HydrophobicContact CG1-CG 4.14Å
413	C	97.1	Very high	90.7	Very high	1 Å²	1	43 Å²	43	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	-171.7	176.9	71	0	0	0	0	111.5	L443 V470 L488 I489 L490	C413-L443 HydrophobicContact CB-CB 4.41Å; C413-L443 WeakPolarHBondContact CB-O 3.12Å; C413-V470 HydrophobicContact CB-CB 4.4Å; C413-L488 PolarHBondContact N-O 2.89Å; C413-I489 WeakPolarHBondContact O-CA 3.2Å; C413-L490 PolarHBondContact O-N 2.83Å
414	G	95.3	Very high	91	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.6	-140.7	-170.9	0	0	0	0	0	111.6	I416 H444 L490	G414-I416 PolarHBondContact O-N 3.02Å; G414-H444 PolarHBondContact O-CD2 3.2Å; G414-H444 VanDerWaalsContact O-CD2 3.23Å; G414-L490 CarbonylContact C-O 3.59Å; G414-L490 WeakPolarHBondContact CA-O 3.28Å
415	H	95.1	Very high	91.2	Very high	52 Å²	52	37.6 Å²	37.6	24%	0.241	22%	0.219	C	C	.	.	S	Bend	trans	-81.2	97.3	-175	-171.9	74.6	0	0	0	112.6	T417 S420 L490 N492	H415-T417 VanDerWaalsContact NE2-CG2 3.28Å; H415-T417 WeakPolarHBondContact NE2-CG2 3.44Å; H415-S420 PolarHBondContact O-OG 3.41Å; H415-L490 PolarHBondContact N-O 3.12Å; H415-N492 HydrophobicContact CB-CB 4.15Å
416	I	95.4	Very high	91.5	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.036	20%	0.198	C	C	.	.			trans	-104.8	106	-175.2	-71.7	163.7	0	0	0	109.9	G414 V421 F442 H444 L452 F465	G414-I416 PolarHBondContact O-N 3.02Å; I416-V421 HydrophobicContact CG2-CG2 3.81Å; I416-F442 HydrophobicContact CD1-CB 4.39Å; I416-F442 HydrophobicContact CD1-CD1 3.85Å; I416-F442 HydrophobicContact CG1-CD1 4.12Å; I416-F442 HydrophobicContact CG2-CD1 4.3Å; I416-H444 HydrophobicContact CB-CB 4.23Å; I416-H444 HydrophobicContact CD1-CB 3.86Å; I416-H444 HydrophobicContact CG2-CB 4.47Å; I416-L452 HydrophobicContact CG2-CD2 4.15Å; I416-F465 HydrophobicContact CG2-CE2 4.42Å
417	T	92.1	Very high	91.6	Very high	48 Å²	48	33.4 Å²	33.4	29%	0.294	16%	0.162	S	C	.	.			trans	-133	173.9	178.6	58.9	0	0	0	0	110.8	H415 E419 S420 V421	H415-T417 VanDerWaalsContact NE2-CG2 3.28Å; H415-T417 WeakPolarHBondContact NE2-CG2 3.44Å; T417-E419 VanDerWaalsContact C-N 3.34Å; T417-E419 PolarHBondContact O-N 2.74Å; T417-S420 PolarHBondContact N-OG 3.24Å; T417-S420 VanDerWaalsContact N-OG 3.14Å; T417-S420 PolarHBondContact OG1-OG 3.01Å; T417-V421 VanDerWaalsContact O-CB 3.3Å; T417-V421 WeakPolarHBondContact O-CB 3.35Å; T417-V421 VanDerWaalsContact O-CG2 3.24Å; T417-V421 WeakPolarHBondContact O-CG2 3.26Å; T417-V421 PolarHBondContact O-N 3.46Å; T417-V421 VanDerWaalsContact O-N 3.07Å
418	L	89.9	Confident	91.8	Very high	65 Å²	65	28.4 Å²	28.4	34%	0.34	14%	0.144	S	C	.	.	H	α-helix	trans	-59.4	-44.4	179.1	-177.1	65.8	0	0	0	112	S422 E451 L455	L418-S422 WeakPolarHBondContact O-CB 3.45Å; L418-S422 PolarHBondContact O-N 2.91Å; L418-E451 HydrophobicContact CD1-CB 4.06Å; L418-E451 HydrophobicContact CD2-CB 3.8Å; L418-E451 HydrophobicContact CD2-CG 4.44Å; L418-L455 HydrophobicContact CD1-CD2 4.12Å
419	E	85.2	Confident	91.6	Very high	88 Å²	88	25.3 Å²	25.3	41%	0.411	13%	0.132	S	C	.	.	H	α-helix	trans	-63.3	-55.6	178.9	-174.4	-165.4	140.6	0	0	111.7	T417 V421 S422 N423 K493 Y494	T417-E419 VanDerWaalsContact C-N 3.34Å; T417-E419 PolarHBondContact O-N 2.74Å; E419-V421 VanDerWaalsContact C-N 3.31Å; E419-V421 PolarHBondContact O-N 3.12Å; E419-S422 PolarHBondContact O-N 2.85Å; E419-N423 PolarHBondContact O-N 3.38Å; E419-K493 IonicContact OE1-NZ 3.92Å; E419-Y494 WeakPolarHBondContact OE1-CE2 3.45Å; E419-Y494 PolarHBondContact OE1-OH 3.23Å
420	S	89.8	Confident	91.1	Very high	9 Å²	9	27 Å²	27	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-36.3	-175.6	70.3	0	0	0	0	112.4	H415 T417 F424	H415-S420 PolarHBondContact O-OG 3.41Å; T417-S420 PolarHBondContact N-OG 3.24Å; T417-S420 VanDerWaalsContact N-OG 3.14Å; T417-S420 PolarHBondContact OG1-OG 3.01Å; S420-F424 WeakPolarHBondContact O-CB 3.35Å; S420-F424 PolarHBondContact O-N 3.34Å
421	V	92	Very high	90.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-75	-38.9	175	177.7	0	0	0	0	112	I416 T417 E419 F424 L425 F442 L452 L455 F456	I416-V421 HydrophobicContact CG2-CG2 3.81Å; T417-V421 VanDerWaalsContact O-CB 3.3Å; T417-V421 WeakPolarHBondContact O-CB 3.35Å; T417-V421 VanDerWaalsContact O-CG2 3.24Å; T417-V421 WeakPolarHBondContact O-CG2 3.26Å; T417-V421 PolarHBondContact O-N 3.46Å; T417-V421 VanDerWaalsContact O-N 3.07Å; E419-V421 VanDerWaalsContact C-N 3.31Å; E419-V421 PolarHBondContact O-N 3.12Å; V421-F424 PolarHBondContact O-N 3.04Å; V421-L425 HydrophobicContact CG1-CD1 3.59Å; V421-L425 HydrophobicContact CG1-CG 3.9Å; V421-L425 VanDerWaalsContact O-CB 3.31Å; V421-L425 WeakPolarHBondContact O-CB 3.04Å; V421-L425 VanDerWaalsContact O-CG 3.26Å; V421-L425 WeakPolarHBondContact O-CG 3.46Å; V421-L425 PolarHBondContact O-N 3.48Å; V421-F442 HydrophobicContact CG1-CE1 4.2Å; V421-F442 HydrophobicContact CG1-CE2 4.37Å; V421-F442 HydrophobicContact CG1-CZ 3.79Å; V421-F442 HydrophobicContact CG2-CD1 4.3Å; V421-F442 HydrophobicContact CG2-CE1 3.72Å; V421-F442 HydrophobicContact CG2-CZ 4.18Å; V421-L452 HydrophobicContact CB-CD1 3.86Å; V421-L452 HydrophobicContact CG1-CD1 3.82Å; V421-L452 HydrophobicContact CG2-CD1 4.04Å; V421-L455 HydrophobicContact CB-CD2 4.38Å; V421-L455 HydrophobicContact CG1-CD2 3.85Å; V421-F456 HydrophobicContact CG1-CE1 3.92Å
422	S	89.3	Confident	89	Confident	37 Å²	37	39.5 Å²	39.5	26%	0.259	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-52.1	177.8	177.6	0	0	0	0	111.2	L418 E419 L425 K426	L418-S422 WeakPolarHBondContact O-CB 3.45Å; L418-S422 PolarHBondContact O-N 2.91Å; E419-S422 PolarHBondContact O-N 2.85Å; S422-L425 PolarHBondContact O-N 3.47Å; S422-K426 WeakPolarHBondContact O-CG 3.38Å; S422-K426 PolarHBondContact O-N 2.87Å
423	N	86.6	Confident	88	Confident	32 Å²	32	41.5 Å²	41.5	17%	0.171	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-48	179.4	-66.1	-4.8	0	0	0	110.9	E419 L425 K426 D427 D1044	E419-N423 PolarHBondContact O-N 3.38Å; N423-L425 PolarHBondContact O-N 2.87Å; N423-K426 PolarHBondContact O-N 3.39Å; N423-D427 PolarHBondContact O-N 2.94Å; N423-D1044 HydrophobicContact CB-CB 4.24Å; N423-D1044 PolarHBondContact ND2-OD2 3.15Å
424	F	90.8	Very high	86.6	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-44.8	177.9	178.6	-103.8	0	0	0	112.9	I410 V412 S420 V421 F428 I440 F442 L488	I410-F424 HydrophobicContact CD1-CE1 4.37Å; I410-F424 HydrophobicContact CD1-CZ 3.85Å; V412-F424 HydrophobicContact CG2-CE1 3.92Å; V412-F424 HydrophobicContact CG2-CZ 4.17Å; S420-F424 WeakPolarHBondContact O-CB 3.35Å; S420-F424 PolarHBondContact O-N 3.34Å; V421-F424 PolarHBondContact O-N 3.04Å; F424-F428 HydrophobicContact CE1-CB 4.24Å; F424-F428 HydrophobicContact CE1-CD2 4.23Å; F424-F428 HydrophobicContact CE1-CG 4.25Å; F424-F428 HydrophobicContact CE2-CB 4.3Å; F424-F428 AromaticContact CE2-CD2 3.72Å; F424-F428 HydrophobicContact CE2-CD2 3.72Å; F424-F428 HydrophobicContact CE2-CE2 4.48Å; F424-F428 HydrophobicContact CE2-CG 4.33Å; F424-F428 HydrophobicContact CZ-CB 4.07Å; F424-F428 AromaticContact CZ-CD2 3.39Å; F424-F428 HydrophobicContact CZ-CD2 3.39Å; F424-F428 AromaticContact CZ-CE2 3.97Å; F424-F428 HydrophobicContact CZ-CE2 3.97Å; F424-F428 AromaticContact CZ-CG 3.84Å; F424-F428 HydrophobicContact CZ-CG 3.84Å; F424-F428 WeakPolarHBondContact O-CB 3.33Å; F424-F428 PolarHBondContact O-N 3.25Å; F424-I440 HydrophobicContact CE1-CD1 4.26Å; F424-I440 HydrophobicContact CE1-CG2 4.1Å; F424-F442 HydrophobicContact CD1-CZ 4.2Å; F424-F442 HydrophobicContact CE1-CZ 4.48Å; F424-L488 HydrophobicContact CE2-CD2 3.47Å; F424-L488 VanDerWaalsContact CE2-CD2 3.47Å; F424-L488 HydrophobicContact CZ-CD2 3.71Å
425	L	90.8	Very high	85	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-71.2	-34.6	-179.8	-68.9	-177.9	0	0	0	112.8	V421 S422 N423 L429 I440 F442 L455 V463	V421-L425 HydrophobicContact CG1-CD1 3.59Å; V421-L425 HydrophobicContact CG1-CG 3.9Å; V421-L425 VanDerWaalsContact O-CB 3.31Å; V421-L425 WeakPolarHBondContact O-CB 3.04Å; V421-L425 VanDerWaalsContact O-CG 3.26Å; V421-L425 WeakPolarHBondContact O-CG 3.46Å; V421-L425 PolarHBondContact O-N 3.48Å; S422-L425 PolarHBondContact O-N 3.47Å; N423-L425 PolarHBondContact O-N 2.87Å; L425-L429 HydrophobicContact CD2-CD1 3.94Å; L425-L429 HydrophobicContact CD2-CG 4.47Å; L425-L429 WeakPolarHBondContact O-CB 3.23Å; L425-L429 PolarHBondContact O-N 3.05Å; L425-I440 HydrophobicContact CD2-CD1 3.53Å; L425-F442 HydrophobicContact CD2-CE2 4.32Å; L425-F442 HydrophobicContact CD2-CZ 4.25Å; L425-L455 HydrophobicContact CD1-CD1 4.44Å; L425-L455 HydrophobicContact CD1-CD2 4.27Å; L425-L455 HydrophobicContact CD1-CG 4.11Å; L425-V463 HydrophobicContact CD1-CG2 4.28Å; L425-V463 HydrophobicContact CD2-CG2 3.86Å
426	K	85.8	Confident	83.6	Confident	106 Å²	106	53.9 Å²	53.9	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-55.1	-52.7	172.8	-81.6	-176.4	179.5	-173.9	0	111.1	S422 N423 H430 E1025	S422-K426 WeakPolarHBondContact O-CG 3.38Å; S422-K426 PolarHBondContact O-N 2.87Å; N423-K426 PolarHBondContact O-N 3.39Å; K426-H430 WeakPolarHBondContact O-CB 3.34Å; K426-H430 PolarHBondContact O-N 2.95Å; K426-E1025 IonicContact NZ-OE1 3.29Å; K426-E1025 PolarHBondContact NZ-OE1 3.19Å
427	D	84.6	Confident	82.9	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-74.6	-40.6	-178.4	-87	-61.9	0	0	0	113	N423 R433 M578 S1045	N423-D427 PolarHBondContact O-N 2.94Å; D427-R433 VanDerWaalsContact O-CZ 3.25Å; D427-R433 PolarHBondContact O-NE 2.95Å; D427-R433 PolarHBondContact O-NH2 3.21Å; D427-M578 PolarHBondContact OD1-N 3.27Å; D427-S1045 VanDerWaalsContact OD2-CA 3.27Å; D427-S1045 WeakPolarHBondContact OD2-CA 3.41Å; D427-S1045 WeakPolarHBondContact OD2-CB 3.33Å; D427-S1045 PolarHBondContact OD2-OG 3.5Å
428	F	88.8	Confident	82.8	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-73.8	-41.2	-173.8	-164.6	-79.4	0	0	0	112.3	I410 F424 H430 V438 I440 Y1051 F1052	I410-F428 HydrophobicContact CD1-CD2 4.32Å; I410-F428 HydrophobicContact CD1-CE1 4.22Å; I410-F428 HydrophobicContact CD1-CE2 3.56Å; I410-F428 HydrophobicContact CD1-CZ 3.5Å; I410-F428 VanDerWaalsContact CD1-CZ 3.5Å; I410-F428 HydrophobicContact CG1-CZ 4.27Å; F424-F428 HydrophobicContact CE1-CB 4.24Å; F424-F428 HydrophobicContact CE1-CD2 4.23Å; F424-F428 HydrophobicContact CE1-CG 4.25Å; F424-F428 HydrophobicContact CE2-CB 4.3Å; F424-F428 AromaticContact CE2-CD2 3.72Å; F424-F428 HydrophobicContact CE2-CD2 3.72Å; F424-F428 HydrophobicContact CE2-CE2 4.48Å; F424-F428 HydrophobicContact CE2-CG 4.33Å; F424-F428 HydrophobicContact CZ-CB 4.07Å; F424-F428 AromaticContact CZ-CD2 3.39Å; F424-F428 HydrophobicContact CZ-CD2 3.39Å; F424-F428 AromaticContact CZ-CE2 3.97Å; F424-F428 HydrophobicContact CZ-CE2 3.97Å; F424-F428 AromaticContact CZ-CG 3.84Å; F424-F428 HydrophobicContact CZ-CG 3.84Å; F424-F428 WeakPolarHBondContact O-CB 3.33Å; F424-F428 PolarHBondContact O-N 3.25Å; F428-H430 VanDerWaalsContact C-N 3.34Å; F428-V438 HydrophobicContact CE1-CB 4.49Å; F428-V438 HydrophobicContact CE1-CG1 4.02Å; F428-V438 HydrophobicContact CZ-CG1 3.9Å; F428-I440 HydrophobicContact CD1-CD1 3.6Å; F428-I440 HydrophobicContact CD1-CG1 4.25Å; F428-I440 HydrophobicContact CE1-CD1 3.97Å; F428-I440 HydrophobicContact CE1-CG1 4.1Å; F428-I440 HydrophobicContact CG-CD1 4.27Å; F428-Y1051 AromaticContact CE2-CD1 3.41Å; F428-Y1051 HydrophobicContact CE2-CD1 3.41Å; F428-Y1051 VanDerWaalsContact CE2-CD1 3.41Å; F428-Y1051 AromaticContact CE2-CE1 3.87Å; F428-Y1051 HydrophobicContact CE2-CE1 3.87Å; F428-Y1051 HydrophobicContact CE2-CG 4.14Å; F428-Y1051 AromaticContact CZ-CD1 3.72Å; F428-Y1051 HydrophobicContact CZ-CD1 3.72Å; F428-Y1051 AromaticContact CZ-CE1 3.65Å; F428-Y1051 HydrophobicContact CZ-CE1 3.65Å; F428-F1052 HydrophobicContact CD1-CZ 4.44Å; F428-F1052 AromaticContact CD2-CE2 3.94Å; F428-F1052 HydrophobicContact CD2-CE2 3.94Å; F428-F1052 HydrophobicContact CD2-CZ 4.44Å; F428-F1052 HydrophobicContact CE1-CE2 4.49Å; F428-F1052 HydrophobicContact CE1-CZ 4.07Å; F428-F1052 AromaticContact CE2-CE2 3.87Å; F428-F1052 HydrophobicContact CE2-CE2 3.87Å; F428-F1052 HydrophobicContact CE2-CZ 4.07Å; F428-F1052 HydrophobicContact CG-CE2 4.3Å; F428-F1052 HydrophobicContact CZ-CE2 4.15Å; F428-F1052 AromaticContact CZ-CZ 3.86Å; F428-F1052 HydrophobicContact CZ-CZ 3.86Å
429	L	88.3	Confident	82.9	Confident	41 Å²	41	54.4 Å²	54.4	22%	0.215	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	24.3	179.8	-59.2	175.7	0	0	0	112.5	L425 I440 H459 Q462 V463	L425-L429 HydrophobicContact CD2-CD1 3.94Å; L425-L429 HydrophobicContact CD2-CG 4.47Å; L425-L429 WeakPolarHBondContact O-CB 3.23Å; L425-L429 PolarHBondContact O-N 3.05Å; L429-I440 HydrophobicContact CD1-CD1 4.14Å; L429-I440 HydrophobicContact CD2-CD1 3.96Å; L429-I440 HydrophobicContact CG-CD1 4.01Å; L429-H459 HydrophobicContact CD1-CB 4.48Å; L429-Q462 HydrophobicContact CD1-CB 4.29Å; L429-Q462 HydrophobicContact CD2-CB 4.48Å; L429-V463 HydrophobicContact CD1-CG2 4.25Å
430	H	84.3	Confident	83.4	Confident	39 Å²	39	50.3 Å²	50.3	18%	0.181	26%	0.255	C	S	.	.			trans	-66.7	139.1	-179.4	-157.6	-103.9	0	0	0	112.4	K426 F428 D432 R433 M578 S580	K426-H430 WeakPolarHBondContact O-CB 3.34Å; K426-H430 PolarHBondContact O-N 2.95Å; F428-H430 VanDerWaalsContact C-N 3.34Å; H430-D432 IonicContact CE1-OD2 2.88Å; H430-D432 PolarHBondContact CE1-OD2 3.34Å; H430-D432 IonicContact ND1-OD2 2.73Å; H430-D432 PolarHBondContact ND1-OD2 3.19Å; H430-D432 PolarHBondContact O-N 3.44Å; H430-R433 PolarHBondContact O-N 2.82Å; H430-M578 HydrophobicContact CB-CB 3.66Å; H430-M578 HydrophobicContact CB-CG 4.19Å; H430-S580 PolarHBondContact CE1-N 2.74Å
431	K	77.5	Confident	83.8	Confident	193 Å²	193	49.9 Å²	49.9	84%	0.839	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.6	-173.3	-61.8	174.5	-172.9	164.2	0	114.6	R433	K431-R433 VanDerWaalsContact C-N 3.34Å
432	D	73.1	Confident	84	Confident	70 Å²	70	49.9 Å²	49.9	37%	0.374	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5	-173.7	-57.3	-34.2	0	0	0	112.5	H430 M578 S580	H430-D432 IonicContact CE1-OD2 2.88Å; H430-D432 PolarHBondContact CE1-OD2 3.34Å; H430-D432 IonicContact ND1-OD2 2.73Å; H430-D432 PolarHBondContact ND1-OD2 3.19Å; H430-D432 PolarHBondContact O-N 3.44Å; D432-M578 HydrophobicContact CB-CE 4.15Å; D432-S580 WeakPolarHBondContact OD2-CA 3.47Å
433	R	75.4	Confident	84.4	Confident	42 Å²	42	48.3 Å²	48.3	16%	0.158	24%	0.241	C	C	.	.	S	Bend	trans	-73.3	139.8	161.6	-58.5	-170.1	-169.3	-87.3	2.7	109.1	D427 H430 K431 M578 S1048	D427-R433 VanDerWaalsContact O-CZ 3.25Å; D427-R433 PolarHBondContact O-NE 2.95Å; D427-R433 PolarHBondContact O-NH2 3.21Å; H430-R433 PolarHBondContact O-N 2.82Å; K431-R433 VanDerWaalsContact C-N 3.34Å; R433-M578 HydrophobicContact CG-CE 4.05Å; R433-M578 HydrophobicContact CG-CG 4.28Å; R433-M578 HydrophobicContact CG-SD 4.21Å; R433-S1048 PolarHBondContact NH2-OG 3.04Å
434	D	69.3	Low	84.9	Confident	79 Å²	79	48.1 Å²	48.1	42%	0.422	24%	0.239	S	C	.	.			trans	-56.2	151.8	168.2	-70.1	-32.5	0	0	0	110.4	V436 K668	D434-V436 VanDerWaalsContact C-N 3.34Å; D434-V436 VanDerWaalsContact O-CG2 3.24Å; D434-V436 WeakPolarHBondContact O-CG2 3.38Å; D434-V436 PolarHBondContact O-N 3.27Å; D434-K668 WeakPolarHBondContact OD1-CE 3.46Å; D434-K668 IonicContact OD1-NZ 3.44Å; D434-K668 PolarHBondContact OD1-NZ 3.38Å
435	D	60.6	Low	85.1	Confident	163 Å²	163	52.5 Å²	52.5	87%	0.872	26%	0.263	S	S	*	.			trans	-59.5	78.2	-172.7	-70.9	-62.4	0	0	0	115.1	N437	D435-N437 PolarHBondContact O-N 3.25Å
436	V	66.9	Low	85.1	Confident	80 Å²	80	57.5 Å²	57.5	49%	0.485	29%	0.288	S	S	.	.			trans	-83.5	110.2	176.5	-162.6	0	0	0	0	110.1	D434 V438 F1052	D434-V436 VanDerWaalsContact C-N 3.34Å; D434-V436 VanDerWaalsContact O-CG2 3.24Å; D434-V436 WeakPolarHBondContact O-CG2 3.38Å; D434-V436 PolarHBondContact O-N 3.27Å; V436-V438 HydrophobicContact CG1-CB 4.46Å; V436-V438 HydrophobicContact CG1-CG2 3.72Å; V436-V438 PolarHBondContact O-N 2.91Å; V436-F1052 HydrophobicContact CB-CE1 4.1Å; V436-F1052 HydrophobicContact CG1-CE1 4.17Å; V436-F1052 HydrophobicContact CG2-CD1 4.44Å; V436-F1052 HydrophobicContact CG2-CE1 3.8Å
437	N	79.8	Confident	85.4	Confident	99 Å²	99	55.6 Å²	55.6	53%	0.529	29%	0.289	S	S	.	.			trans	-75	70.4	176.5	-75.2	-90.7	0	0	0	111.5	R407 K408 D435	R407-N437 HydrophobicContact CG-CB 4.47Å; K408-N437 PolarHBondContact N-O 2.6Å; D435-N437 PolarHBondContact O-N 3.25Å
438	V	89.3	Confident	85.8	Confident	10 Å²	10	55.6 Å²	55.6	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.3	174.2	167.7	0	0	0	0	109.8	K408 I410 F428 V436	K408-V438 HydrophobicContact CB-CG2 3.86Å; K408-V438 WeakPolarHBondContact O-CA 3.36Å; I410-V438 HydrophobicContact CG1-CG1 4.1Å; I410-V438 HydrophobicContact CG2-CG1 4.04Å; F428-V438 HydrophobicContact CE1-CB 4.49Å; F428-V438 HydrophobicContact CE1-CG1 4.02Å; F428-V438 HydrophobicContact CZ-CG1 3.9Å; V436-V438 HydrophobicContact CG1-CB 4.46Å; V436-V438 HydrophobicContact CG1-CG2 3.72Å; V436-V438 PolarHBondContact O-N 2.91Å
439	E	93.2	Very high	86	Confident	22 Å²	22	58.8 Å²	58.8	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	148.7	173	-68.9	173.2	-167.3	0	0	111	Y401 R407 K408 H409 I410	Y401-E439 PolarHBondContact OH-OE2 3.34Å; R407-E439 WeakPolarHBondContact CD-OE1 3.36Å; R407-E439 IonicContact CZ-OE1 3.8Å; R407-E439 IonicContact NE-OE1 2.68Å; R407-E439 IonicContact NH1-OE1 2.76Å; R407-E439 PolarHBondContact NH1-OE1 3.24Å; K408-E439 PolarHBondContact O-N 3.1Å; H409-E439 CarbonylContact C-O 3.47Å; H409-E439 WeakPolarHBondContact CA-O 3.43Å; H409-E439 HydrophobicContact CB-CB 4.22Å; H409-E439 WeakPolarHBondContact CB-O 3.4Å; I410-E439 PolarHBondContact N-O 3.32Å
440	I	95.8	Very high	86.3	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.3	-172.7	-50.5	176.1	0	0	0	109	I410 V412 F424 L425 F428 L429 F442 Q462 V463 E464	I410-I440 HydrophobicContact CD1-CG1 4.3Å; I410-I440 HydrophobicContact CD1-CG2 4.25Å; I410-I440 HydrophobicContact CG1-CB 4.44Å; I410-I440 HydrophobicContact CG1-CG1 4.27Å; I410-I440 HydrophobicContact CG1-CG2 4.29Å; V412-I440 HydrophobicContact CG2-CG2 3.72Å; F424-I440 HydrophobicContact CE1-CD1 4.26Å; F424-I440 HydrophobicContact CE1-CG2 4.1Å; L425-I440 HydrophobicContact CD2-CD1 3.53Å; F428-I440 HydrophobicContact CD1-CD1 3.6Å; F428-I440 HydrophobicContact CD1-CG1 4.25Å; F428-I440 HydrophobicContact CE1-CD1 3.97Å; F428-I440 HydrophobicContact CE1-CG1 4.1Å; F428-I440 HydrophobicContact CG-CD1 4.27Å; L429-I440 HydrophobicContact CD1-CD1 4.14Å; L429-I440 HydrophobicContact CD2-CD1 3.96Å; L429-I440 HydrophobicContact CG-CD1 4.01Å; I440-F442 HydrophobicContact CB-CE2 4.37Å; I440-F442 HydrophobicContact CG2-CD2 4.03Å; I440-F442 HydrophobicContact CG2-CE2 3.45Å; I440-F442 VanDerWaalsContact CG2-CE2 3.45Å; I440-F442 HydrophobicContact CG2-CZ 3.82Å; I440-Q462 PolarHBondContact N-O 2.75Å; I440-V463 HydrophobicContact CB-CG2 4.29Å; I440-V463 HydrophobicContact CD1-CG2 4.32Å; I440-V463 WeakPolarHBondContact O-CA 3.29Å; I440-E464 PolarHBondContact O-N 2.72Å
441	V	97.2	Very high	86.6	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	105.2	-177	-175.8	0	0	0	0	109.6	Y401 H409 I410 V411 V412 Y466 V479	Y401-V441 HydrophobicContact CD1-CG2 4.45Å; Y401-V441 HydrophobicContact CD2-CG2 3.77Å; Y401-V441 HydrophobicContact CE2-CG2 3.95Å; Y401-V441 HydrophobicContact CG-CG2 4.05Å; H409-V441 HydrophobicContact CB-CG2 4.27Å; I410-V441 PolarHBondContact O-N 2.73Å; V411-V441 CarbonylContact C-O 3.5Å; V411-V441 WeakPolarHBondContact CA-O 3.29Å; V412-V441 PolarHBondContact N-O 2.89Å; V441-Y466 HydrophobicContact CG1-CD2 3.67Å; V441-Y466 HydrophobicContact CG1-CE2 3.99Å; V441-V479 HydrophobicContact CG1-CB 3.99Å; V441-V479 HydrophobicContact CG1-CG1 3.99Å
442	F	97.8	Very high	87.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.6	177.2	-71.7	-87.5	0	0	0	111.4	V412 I416 V421 F424 L425 I440 F456 V463 E464 F465 Y466	V412-F442 HydrophobicContact CB-CD1 3.7Å; V412-F442 HydrophobicContact CB-CE1 3.74Å; V412-F442 HydrophobicContact CB-CG 4.4Å; V412-F442 HydrophobicContact CB-CZ 4.47Å; V412-F442 HydrophobicContact CG1-CD1 3.85Å; V412-F442 HydrophobicContact CG1-CE1 3.61Å; V412-F442 HydrophobicContact CG2-CE1 4.22Å; V412-F442 HydrophobicContact CG2-CZ 4.5Å; V412-F442 CarbonylContact O-C 3.46Å; V412-F442 WeakPolarHBondContact O-CA 3.38Å; I416-F442 HydrophobicContact CD1-CB 4.39Å; I416-F442 HydrophobicContact CD1-CD1 3.85Å; I416-F442 HydrophobicContact CG1-CD1 4.12Å; I416-F442 HydrophobicContact CG2-CD1 4.3Å; V421-F442 HydrophobicContact CG1-CE1 4.2Å; V421-F442 HydrophobicContact CG1-CE2 4.37Å; V421-F442 HydrophobicContact CG1-CZ 3.79Å; V421-F442 HydrophobicContact CG2-CD1 4.3Å; V421-F442 HydrophobicContact CG2-CE1 3.72Å; V421-F442 HydrophobicContact CG2-CZ 4.18Å; F424-F442 HydrophobicContact CD1-CZ 4.2Å; F424-F442 HydrophobicContact CE1-CZ 4.48Å; L425-F442 HydrophobicContact CD2-CE2 4.32Å; L425-F442 HydrophobicContact CD2-CZ 4.25Å; I440-F442 HydrophobicContact CB-CE2 4.37Å; I440-F442 HydrophobicContact CG2-CD2 4.03Å; I440-F442 HydrophobicContact CG2-CE2 3.45Å; I440-F442 VanDerWaalsContact CG2-CE2 3.45Å; I440-F442 HydrophobicContact CG2-CZ 3.82Å; F442-F456 HydrophobicContact CB-CZ 4.44Å; F442-F456 AromaticContact CD2-CE1 3.7Å; F442-F456 HydrophobicContact CD2-CE1 3.7Å; F442-F456 HydrophobicContact CD2-CZ 4.11Å; F442-F456 AromaticContact CE2-CE1 3.85Å; F442-F456 HydrophobicContact CE2-CE1 3.85Å; F442-F456 HydrophobicContact CG-CE1 4.2Å; F442-F456 HydrophobicContact CG-CZ 4.19Å; F442-F456 HydrophobicContact CZ-CE1 4.48Å; F442-V463 HydrophobicContact CD2-CG1 3.64Å; F442-V463 HydrophobicContact CE2-CG1 3.54Å; F442-E464 PolarHBondContact N-O 3.14Å; F442-F465 HydrophobicContact CB-CB 4.41Å; F442-F465 HydrophobicContact CB-CD2 3.66Å; F442-F465 HydrophobicContact CB-CE2 4.41Å; F442-F465 HydrophobicContact CB-CG 4.42Å; F442-Y466 PolarHBondContact O-N 3.33Å
443	L	97.7	Very high	88.3	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	109.1	176	-179.8	59.7	0	0	0	110.7	V411 V412 C413 V470 D475 V479	V411-L443 HydrophobicContact CG1-CB 4.33Å; V412-L443 PolarHBondContact O-N 2.74Å; C413-L443 HydrophobicContact CB-CB 4.41Å; C413-L443 WeakPolarHBondContact CB-O 3.12Å; L443-V470 HydrophobicContact CD2-CB 4.35Å; L443-D475 HydrophobicContact CD1-CB 4.33Å; L443-D475 HydrophobicContact CD2-CB 4.43Å; L443-V479 HydrophobicContact CB-CG1 4.27Å; L443-V479 HydrophobicContact CD1-CG1 4.05Å; L443-V479 HydrophobicContact CD2-CG1 4.22Å; L443-V479 HydrophobicContact CD2-CG2 4.06Å; L443-V479 HydrophobicContact CG-CG1 4.4Å
444	H	96.7	Very high	89.1	Confident	29 Å²	29	56.4 Å²	56.4	13%	0.134	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.4	-178.5	-165	-124.9	0	0	0	112.3	G414 I416 I446 F465 Y466 Q467 G468	G414-H444 PolarHBondContact O-CD2 3.2Å; G414-H444 VanDerWaalsContact O-CD2 3.23Å; I416-H444 HydrophobicContact CB-CB 4.23Å; I416-H444 HydrophobicContact CD1-CB 3.86Å; I416-H444 HydrophobicContact CG2-CB 4.47Å; H444-I446 PolarHBondContact ND1-O 2.9Å; H444-F465 HydrophobicContact CB-CE2 3.74Å; H444-F465 HydrophobicContact CB-CZ 3.84Å; H444-Y466 PolarHBondContact N-O 2.98Å; H444-Q467 CarbonylContact O-C 3.57Å; H444-Q467 WeakPolarHBondContact O-CA 3.09Å; H444-G468 CarbonylContact C-O 3.54Å; H444-G468 PolarHBondContact O-N 2.88Å; H444-G468 VanDerWaalsContact O-O 3.11Å
445	N	93.4	Very high	90.3	Very high	96 Å²	96	53.9 Å²	53.9	51%	0.513	30%	0.297	S	S	.	.	S	Bend	trans	-80.4	-35.3	-176	59.2	-17.1	0	0	0	112.7	Q467 G468	N445-Q467 VanDerWaalsContact O-CG 3.3Å; N445-Q467 WeakPolarHBondContact O-CG 3.02Å; N445-Q467 PolarHBondContact O-NE2 3.02Å; N445-G468 WeakPolarHBondContact CA-O 3.45Å; N445-G468 PolarHBondContact N-O 3.18Å
446	I	92.8	Very high	91.9	Very high	109 Å²	109	46.8 Å²	46.8	56%	0.559	26%	0.258	S	S	*	.	S	Bend	trans	-82.8	135.1	174	-50.1	173.3	0	0	0	109	H444	H444-I446 PolarHBondContact ND1-O 2.9Å
447	S	90.8	Very high	93	Very high	67 Å²	67	49.1 Å²	49.1	47%	0.469	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-64.7	145.8	173.1	48.4	0	0	0	0	111.9
448	P	93.9	Very high	93.6	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.091	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-63.2	150.7	179.6	28.4	-35.9	0	0	0	111.5	Y397 L452 E453 F456 F465	Y397-P448 HydrophobicContact CD2-CG 4.24Å; Y397-P448 HydrophobicContact CE2-CG 3.64Å; P448-L452 HydrophobicContact CB-CB 4.03Å; P448-L452 HydrophobicContact CB-CD2 3.84Å; P448-L452 HydrophobicContact CB-CG 3.89Å; P448-E453 HydrophobicContact CB-CG 4.31Å; P448-E453 HydrophobicContact CG-CG 3.9Å; P448-F456 HydrophobicContact CB-CE2 4.08Å; P448-F456 HydrophobicContact CG-CE2 4.42Å; P448-F465 HydrophobicContact CG-CD1 4.37Å; P448-F465 HydrophobicContact CG-CE1 4.33Å
449	N	93	Very high	93.6	Very high	76 Å²	76	55.6 Å²	55.6	41%	0.406	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-75.8	172.1	167.7	79.3	-13.5	0	0	0	110.6	E451 L452 E453	N449-E451 PolarHBondContact ND2-OE2 3.29Å; N449-E451 PolarHBondContact O-N 3.4Å; N449-E451 PolarHBondContact OD1-N 3.22Å; N449-L452 PolarHBondContact O-N 3.24Å; N449-L452 WeakPolarHBondContact OD1-CB 3.43Å; N449-L452 PolarHBondContact OD1-N 3.18Å; N449-E453 PolarHBondContact O-N 2.56Å
450	L	93.2	Very high	93.1	Very high	145 Å²	145	62.4 Å²	62.4	76%	0.759	31%	0.309	S	S	*	.	H	α-helix	trans	-63.6	-27.9	-174.9	-64.3	176.4	0	0	0	113.6	E453 A454	L450-E453 WeakPolarHBondContact O-CB 3.3Å; L450-A454 PolarHBondContact O-N 3.49Å; L450-A454 VanDerWaalsContact O-N 3.07Å
451	E	92.3	Very high	92.7	Very high	113 Å²	113	67.5 Å²	67.5	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-74.5	-46.3	178.3	-60.8	154.5	164.1	0	0	110.9	L418 N449 E453 A454 L455	L418-E451 HydrophobicContact CD1-CB 4.06Å; L418-E451 HydrophobicContact CD2-CB 3.8Å; L418-E451 HydrophobicContact CD2-CG 4.44Å; N449-E451 PolarHBondContact ND2-OE2 3.29Å; N449-E451 PolarHBondContact O-N 3.4Å; N449-E451 PolarHBondContact OD1-N 3.22Å; E451-E453 VanDerWaalsContact C-N 3.3Å; E451-E453 PolarHBondContact O-N 3.03Å; E451-A454 CarbonylContact O-C 3.53Å; E451-A454 WeakPolarHBondContact O-CA 3.4Å; E451-A454 WeakPolarHBondContact O-CB 3.45Å; E451-A454 PolarHBondContact O-N 3.3Å; E451-L455 PolarHBondContact O-N 3.27Å
452	L	92.7	Very high	92.2	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-66.2	-33.8	174.5	-175.6	57.7	0	0	0	111.3	I416 V421 P448 N449 A454 L455 F456	I416-L452 HydrophobicContact CG2-CD2 4.15Å; V421-L452 HydrophobicContact CB-CD1 3.86Å; V421-L452 HydrophobicContact CG1-CD1 3.82Å; V421-L452 HydrophobicContact CG2-CD1 4.04Å; P448-L452 HydrophobicContact CB-CB 4.03Å; P448-L452 HydrophobicContact CB-CD2 3.84Å; P448-L452 HydrophobicContact CB-CG 3.89Å; N449-L452 PolarHBondContact O-N 3.24Å; N449-L452 WeakPolarHBondContact OD1-CB 3.43Å; N449-L452 PolarHBondContact OD1-N 3.18Å; L452-A454 VanDerWaalsContact C-N 3.33Å; L452-A454 PolarHBondContact O-N 2.8Å; L452-L455 HydrophobicContact CD1-CD2 4.21Å; L452-L455 PolarHBondContact O-N 2.7Å; L452-F456 HydrophobicContact CD1-CD1 4.32Å; L452-F456 HydrophobicContact CD1-CE1 3.77Å; L452-F456 HydrophobicContact CD1-CE2 4.02Å; L452-F456 HydrophobicContact CD1-CZ 3.59Å; L452-F456 HydrophobicContact CD2-CE2 4.13Å; L452-F456 HydrophobicContact CD2-CZ 4.07Å; L452-F456 HydrophobicContact CG-CD2 4.23Å; L452-F456 HydrophobicContact CG-CE1 4.32Å; L452-F456 HydrophobicContact CG-CE2 3.63Å; L452-F456 HydrophobicContact CG-CZ 3.69Å; L452-F456 WeakPolarHBondContact O-CD2 3.5Å; L452-F456 VanDerWaalsContact O-CG 3.26Å; L452-F456 WeakPolarHBondContact O-CG 3.28Å; L452-F456 PolarHBondContact O-N 3.22Å
453	E	92.7	Very high	92	Very high	19 Å²	19	71.5 Å²	71.5	9%	0.089	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-38.6	166.5	-81.5	-152.7	-154.4	0	0	113.2	K396 Y397 P448 N449 L450 E451 K457	K396-E453 IonicContact NZ-OE1 2.7Å; K396-E453 PolarHBondContact NZ-OE1 3.1Å; K396-E453 IonicContact NZ-OE2 3.62Å; K396-E453 PolarHBondContact NZ-OE2 2.95Å; Y397-E453 VanDerWaalsContact OH-CG 3.29Å; Y397-E453 WeakPolarHBondContact OH-CG 3.24Å; Y397-E453 PolarHBondContact OH-OE1 3.24Å; Y397-E453 PolarHBondContact OH-OE2 3.22Å; P448-E453 HydrophobicContact CB-CG 4.31Å; P448-E453 HydrophobicContact CG-CG 3.9Å; N449-E453 PolarHBondContact O-N 2.56Å; L450-E453 WeakPolarHBondContact O-CB 3.3Å; E451-E453 VanDerWaalsContact C-N 3.3Å; E451-E453 PolarHBondContact O-N 3.03Å; E453-K457 WeakPolarHBondContact O-CB 3.2Å; E453-K457 VanDerWaalsContact O-CD 3.29Å; E453-K457 WeakPolarHBondContact O-CD 3.37Å; E453-K457 WeakPolarHBondContact O-CG 3.43Å; E453-K457 PolarHBondContact O-N 2.84Å; E453-K457 IonicContact OE2-NZ 3.37Å; E453-K457 PolarHBondContact OE2-NZ 3.03Å
454	A	93.1	Very high	91.8	Very high	55 Å²	55	75.2 Å²	75.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-70.6	-39.2	177.1	0	0	0	0	0	111.3	L450 E451 L452 K457 R458	L450-A454 PolarHBondContact O-N 3.49Å; L450-A454 VanDerWaalsContact O-N 3.07Å; E451-A454 CarbonylContact O-C 3.53Å; E451-A454 WeakPolarHBondContact O-CA 3.4Å; E451-A454 WeakPolarHBondContact O-CB 3.45Å; E451-A454 PolarHBondContact O-N 3.3Å; L452-A454 VanDerWaalsContact C-N 3.33Å; L452-A454 PolarHBondContact O-N 2.8Å; A454-K457 PolarHBondContact O-N 3.26Å; A454-R458 PolarHBondContact O-N 2.97Å
455	L	93.4	Very high	91.8	Very high	25 Å²	25	74.5 Å²	74.5	13%	0.131	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-46.3	173.9	-176.1	58.3	0	0	0	111.7	L418 V421 L425 E451 L452 K457 R458 H459	L418-L455 HydrophobicContact CD1-CD2 4.12Å; V421-L455 HydrophobicContact CB-CD2 4.38Å; V421-L455 HydrophobicContact CG1-CD2 3.85Å; L425-L455 HydrophobicContact CD1-CD1 4.44Å; L425-L455 HydrophobicContact CD1-CD2 4.27Å; L425-L455 HydrophobicContact CD1-CG 4.11Å; E451-L455 PolarHBondContact O-N 3.27Å; L452-L455 HydrophobicContact CD1-CD2 4.21Å; L452-L455 PolarHBondContact O-N 2.7Å; L455-K457 PolarHBondContact O-N 3Å; L455-R458 WeakPolarHBondContact O-CB 3.32Å; L455-R458 PolarHBondContact O-N 3.32Å; L455-H459 PolarHBondContact O-N 3.45Å
456	F	93.9	Very high	92	Very high	15 Å²	15	71.1 Å²	71.1	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-40.6	174.2	-64.5	-30.3	0	0	0	112.5	V421 F442 P448 L452 R458 H459 F460 V463 F465	V421-F456 HydrophobicContact CG1-CE1 3.92Å; F442-F456 HydrophobicContact CB-CZ 4.44Å; F442-F456 AromaticContact CD2-CE1 3.7Å; F442-F456 HydrophobicContact CD2-CE1 3.7Å; F442-F456 HydrophobicContact CD2-CZ 4.11Å; F442-F456 AromaticContact CE2-CE1 3.85Å; F442-F456 HydrophobicContact CE2-CE1 3.85Å; F442-F456 HydrophobicContact CG-CE1 4.2Å; F442-F456 HydrophobicContact CG-CZ 4.19Å; F442-F456 HydrophobicContact CZ-CE1 4.48Å; P448-F456 HydrophobicContact CB-CE2 4.08Å; P448-F456 HydrophobicContact CG-CE2 4.42Å; L452-F456 HydrophobicContact CD1-CD1 4.32Å; L452-F456 HydrophobicContact CD1-CE1 3.77Å; L452-F456 HydrophobicContact CD1-CE2 4.02Å; L452-F456 HydrophobicContact CD1-CZ 3.59Å; L452-F456 HydrophobicContact CD2-CE2 4.13Å; L452-F456 HydrophobicContact CD2-CZ 4.07Å; L452-F456 HydrophobicContact CG-CD2 4.23Å; L452-F456 HydrophobicContact CG-CE1 4.32Å; L452-F456 HydrophobicContact CG-CE2 3.63Å; L452-F456 HydrophobicContact CG-CZ 3.69Å; L452-F456 WeakPolarHBondContact O-CD2 3.5Å; L452-F456 VanDerWaalsContact O-CG 3.26Å; L452-F456 WeakPolarHBondContact O-CG 3.28Å; L452-F456 PolarHBondContact O-N 3.22Å; F456-R458 VanDerWaalsContact C-N 3.27Å; F456-R458 PolarHBondContact O-N 3.07Å; F456-H459 CarbonylContact O-C 3.41Å; F456-H459 PolarHBondContact O-N 3.14Å; F456-H459 VanDerWaalsContact O-N 3.12Å; F456-F460 PolarHBondContact O-N 2.86Å; F456-V463 HydrophobicContact CD1-CG1 3.46Å; F456-V463 VanDerWaalsContact CD1-CG1 3.46Å; F456-V463 HydrophobicContact CE1-CG1 3.85Å; F456-V463 HydrophobicContact CG-CG1 4.3Å; F456-F465 HydrophobicContact CD2-CB 3.91Å; F456-F465 HydrophobicContact CD2-CD2 4.47Å; F456-F465 HydrophobicContact CD2-CG 4.33Å; F456-F465 HydrophobicContact CE2-CB 3.61Å; F456-F465 AromaticContact CE2-CD2 3.39Å; F456-F465 HydrophobicContact CE2-CD2 3.39Å; F456-F465 HydrophobicContact CE2-CE2 4.28Å; F456-F465 AromaticContact CE2-CG 3.64Å; F456-F465 HydrophobicContact CE2-CG 3.64Å; F456-F465 HydrophobicContact CZ-CB 4.16Å; F456-F465 AromaticContact CZ-CD2 3.63Å; F456-F465 HydrophobicContact CZ-CD2 3.63Å; F456-F465 HydrophobicContact CZ-CG 4.23Å
457	K	91.6	Very high	92.1	Very high	128 Å²	128	68 Å²	68	56%	0.557	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-28.8	174.9	-72.6	162	-163.7	156.2	0	113.1	E453 A454 L455 H459	E453-K457 WeakPolarHBondContact O-CB 3.2Å; E453-K457 VanDerWaalsContact O-CD 3.29Å; E453-K457 WeakPolarHBondContact O-CD 3.37Å; E453-K457 WeakPolarHBondContact O-CG 3.43Å; E453-K457 PolarHBondContact O-N 2.84Å; E453-K457 IonicContact OE2-NZ 3.37Å; E453-K457 PolarHBondContact OE2-NZ 3.03Å; A454-K457 PolarHBondContact O-N 3.26Å; L455-K457 PolarHBondContact O-N 3Å; K457-H459 VanDerWaalsContact C-N 3.29Å; K457-H459 PolarHBondContact O-N 2.87Å
458	R	91.6	Very high	92.3	Very high	207 Å²	207	65.3 Å²	65.3	78%	0.781	32%	0.319	S	S	*	.	H	α-helix	trans	-66.8	-29.9	173.8	-170.6	-179.1	-175.8	173	0.8	112.4	A454 L455 F456	A454-R458 PolarHBondContact O-N 2.97Å; L455-R458 WeakPolarHBondContact O-CB 3.32Å; L455-R458 PolarHBondContact O-N 3.32Å; F456-R458 VanDerWaalsContact C-N 3.27Å; F456-R458 PolarHBondContact O-N 3.07Å
459	H	88.8	Confident	92.4	Very high	39 Å²	39	66.6 Å²	66.6	18%	0.181	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	32.3	-178.4	-66	-86	0	0	0	113	L429 L455 F456 K457 T461 Q462 V463	L429-H459 HydrophobicContact CD1-CB 4.48Å; L455-H459 PolarHBondContact O-N 3.45Å; F456-H459 CarbonylContact O-C 3.41Å; F456-H459 PolarHBondContact O-N 3.14Å; F456-H459 VanDerWaalsContact O-N 3.12Å; K457-H459 VanDerWaalsContact C-N 3.29Å; K457-H459 PolarHBondContact O-N 2.87Å; H459-T461 PolarHBondContact O-N 3.34Å; H459-Q462 PolarHBondContact ND1-OE1 2.97Å; H459-Q462 PolarHBondContact O-N 2.69Å; H459-V463 HydrophobicContact CB-CB 4.08Å; H459-V463 HydrophobicContact CB-CG2 3.63Å; H459-V463 PolarHBondContact O-N 2.94Å
460	F	84	Confident	92.6	Very high	164 Å²	164	63.5 Å²	63.5	72%	0.719	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-23.7	-169.8	-177.1	-98.6	0	0	0	116.3	F456	F456-F460 PolarHBondContact O-N 2.86Å
461	T	85.9	Confident	92.7	Very high	108 Å²	108	61 Å²	61	66%	0.663	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.1	179.8	50	0	0	0	0	114.2	H459	H459-T461 PolarHBondContact O-N 3.34Å
462	Q	87.6	Confident	93	Very high	77 Å²	77	58.1 Å²	58.1	36%	0.36	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-23.1	-173	-64.1	170.5	-49.6	0	0	112.5	L429 I440 H459	L429-Q462 HydrophobicContact CD1-CB 4.29Å; L429-Q462 HydrophobicContact CD2-CB 4.48Å; I440-Q462 PolarHBondContact N-O 2.75Å; H459-Q462 PolarHBondContact ND1-OE1 2.97Å; H459-Q462 PolarHBondContact O-N 2.69Å
463	V	93.5	Very high	93.1	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.9	-170.5	179.6	0	0	0	0	111.2	L425 L429 I440 F442 F456 H459	L425-V463 HydrophobicContact CD1-CG2 4.28Å; L425-V463 HydrophobicContact CD2-CG2 3.86Å; L429-V463 HydrophobicContact CD1-CG2 4.25Å; I440-V463 HydrophobicContact CB-CG2 4.29Å; I440-V463 HydrophobicContact CD1-CG2 4.32Å; I440-V463 WeakPolarHBondContact O-CA 3.29Å; F442-V463 HydrophobicContact CD2-CG1 3.64Å; F442-V463 HydrophobicContact CE2-CG1 3.54Å; F456-V463 HydrophobicContact CD1-CG1 3.46Å; F456-V463 VanDerWaalsContact CD1-CG1 3.46Å; F456-V463 HydrophobicContact CE1-CG1 3.85Å; F456-V463 HydrophobicContact CG-CG1 4.3Å; H459-V463 HydrophobicContact CB-CB 4.08Å; H459-V463 HydrophobicContact CB-CG2 3.63Å; H459-V463 PolarHBondContact O-N 2.94Å
464	E	94.2	Very high	93.3	Very high	81 Å²	81	67.4 Å²	67.4	38%	0.379	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.9	170.3	-65	-163.2	158.2	0	0	111.1	Y401 I440 F442 Y466	Y401-E464 WeakPolarHBondContact CD2-OE2 3.5Å; I440-E464 PolarHBondContact O-N 2.72Å; F442-E464 PolarHBondContact N-O 3.14Å; E464-Y466 HydrophobicContact CB-CE2 4.25Å; E464-Y466 PolarHBondContact OE2-OH 3.01Å; E464-Y466 VanDerWaalsContact OE2-OH 3.06Å
465	F	96.1	Very high	93.5	Very high	15 Å²	15	65.8 Å²	65.8	7%	0.066	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.6	178.7	177.2	-80.4	0	0	0	111.2	Y397 I416 F442 H444 P448 F456 Q467	Y397-F465 HydrophobicContact CD1-CB 4.45Å; Y397-F465 AromaticContact CD1-CD1 3.65Å; Y397-F465 HydrophobicContact CD1-CD1 3.65Å; Y397-F465 HydrophobicContact CD1-CE1 4.47Å; Y397-F465 WeakPolarHBondContact CD1-O 3.32Å; Y397-F465 HydrophobicContact CD2-CD1 4.21Å; Y397-F465 HydrophobicContact CD2-CE1 4.3Å; Y397-F465 HydrophobicContact CE1-CD1 4.27Å; Y397-F465 AromaticContact CG-CD1 3.61Å; Y397-F465 HydrophobicContact CG-CD1 3.61Å; Y397-F465 AromaticContact CG-CE1 3.99Å; Y397-F465 HydrophobicContact CG-CE1 3.99Å; I416-F465 HydrophobicContact CG2-CE2 4.42Å; F442-F465 HydrophobicContact CB-CB 4.41Å; F442-F465 HydrophobicContact CB-CD2 3.66Å; F442-F465 HydrophobicContact CB-CE2 4.41Å; F442-F465 HydrophobicContact CB-CG 4.42Å; H444-F465 HydrophobicContact CB-CE2 3.74Å; H444-F465 HydrophobicContact CB-CZ 3.84Å; P448-F465 HydrophobicContact CG-CD1 4.37Å; P448-F465 HydrophobicContact CG-CE1 4.33Å; F456-F465 HydrophobicContact CD2-CB 3.91Å; F456-F465 HydrophobicContact CD2-CD2 4.47Å; F456-F465 HydrophobicContact CD2-CG 4.33Å; F456-F465 HydrophobicContact CE2-CB 3.61Å; F456-F465 AromaticContact CE2-CD2 3.39Å; F456-F465 HydrophobicContact CE2-CD2 3.39Å; F456-F465 HydrophobicContact CE2-CE2 4.28Å; F456-F465 AromaticContact CE2-CG 3.64Å; F456-F465 HydrophobicContact CE2-CG 3.64Å; F456-F465 HydrophobicContact CZ-CB 4.16Å; F456-F465 AromaticContact CZ-CD2 3.63Å; F456-F465 HydrophobicContact CZ-CD2 3.63Å; F456-F465 HydrophobicContact CZ-CG 4.23Å; F465-Q467 HydrophobicContact CE1-CB 4.23Å
466	Y	96.3	Very high	93.6	Very high	25 Å²	25	64.6 Å²	64.6	10%	0.098	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.6	176.7	-71.2	-71.1	0	0	0	111.8	G398 S400 Y401 V441 F442 H444 E464 G468 V479	G398-Y466 WeakPolarHBondContact O-CD1 3.47Å; G398-Y466 WeakPolarHBondContact O-CE1 3.25Å; S400-Y466 VanDerWaalsContact C-OH 3.26Å; S400-Y466 PolarHBondContact O-OH 2.92Å; Y401-Y466 VanDerWaalsContact CA-OH 3.3Å; Y401-Y466 WeakPolarHBondContact CA-OH 3.26Å; Y401-Y466 PolarHBondContact N-OH 3.46Å; V441-Y466 HydrophobicContact CG1-CD2 3.67Å; V441-Y466 HydrophobicContact CG1-CE2 3.99Å; F442-Y466 PolarHBondContact O-N 3.33Å; H444-Y466 PolarHBondContact N-O 2.98Å; E464-Y466 HydrophobicContact CB-CE2 4.25Å; E464-Y466 PolarHBondContact OE2-OH 3.01Å; E464-Y466 VanDerWaalsContact OE2-OH 3.06Å; Y466-G468 PolarHBondContact O-N 2.9Å; Y466-V479 HydrophobicContact CD2-CG1 4.09Å; Y466-V479 HydrophobicContact CG-CG1 4.38Å
467	Q	95.3	Very high	93.8	Very high	43 Å²	43	65.4 Å²	65.4	20%	0.201	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	108.9	176.7	-171.6	-169.9	22.4	0	0	110.5	Y397 H444 N445 F465 R478	Y397-Q467 PolarHBondContact O-N 2.89Å; H444-Q467 CarbonylContact O-C 3.57Å; H444-Q467 WeakPolarHBondContact O-CA 3.09Å; N445-Q467 VanDerWaalsContact O-CG 3.3Å; N445-Q467 WeakPolarHBondContact O-CG 3.02Å; N445-Q467 PolarHBondContact O-NE2 3.02Å; F465-Q467 HydrophobicContact CE1-CB 4.23Å; Q467-R478 VanDerWaalsContact C-NH2 3.33Å; Q467-R478 PolarHBondContact O-NH2 3.2Å
468	G	94.8	Very high	94	Very high	10 Å²	10	61.3 Å²	61.3	10%	0.103	31%	0.305	C	S	.	.			trans	-173.3	178.1	-178.4	0	0	0	0	0	112.5	H444 N445 Y466 D475	H444-G468 CarbonylContact C-O 3.54Å; H444-G468 PolarHBondContact O-N 2.88Å; H444-G468 VanDerWaalsContact O-O 3.11Å; N445-G468 WeakPolarHBondContact CA-O 3.45Å; N445-G468 PolarHBondContact N-O 3.18Å; Y466-G468 PolarHBondContact O-N 2.9Å; G468-D475 WeakPolarHBondContact CA-OD2 3.25Å
469	S	96.1	Very high	94.3	Very high	41 Å²	41	51.5 Å²	51.5	29%	0.287	27%	0.267	S	S	.	.			trans	-115.1	130.5	176.5	-176	0	0	0	0	111.2	L471 N472 D475	S469-L471 PolarHBondContact O-N 3.24Å; S469-L471 VanDerWaalsContact O-N 3.11Å; S469-L471 PolarHBondContact OG-N 2.86Å; S469-N472 WeakPolarHBondContact O-CB 3.45Å; S469-N472 PolarHBondContact O-N 3.31Å; S469-D475 PolarHBondContact N-OD2 3.35Å; S469-D475 WeakPolarHBondContact O-CB 3.19Å
470	V	96.9	Very high	94.6	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.1	171.3	64.4	0	0	0	0	112.7	C413 L443 N472 L476 R508 S511 I512	C413-V470 HydrophobicContact CB-CB 4.4Å; L443-V470 HydrophobicContact CD2-CB 4.35Å; V470-N472 PolarHBondContact O-N 3.43Å; V470-L476 HydrophobicContact CG2-CD2 3.9Å; V470-R508 HydrophobicContact CG1-CB 3.87Å; V470-R508 HydrophobicContact CG1-CG 3.6Å; V470-S511 PolarHBondContact O-OG 3.11Å; V470-I512 HydrophobicContact CG2-CD1 3.65Å; V470-I512 HydrophobicContact CG2-CG1 3.44Å; V470-I512 VanDerWaalsContact CG2-CG1 3.44Å
471	L	96.9	Very high	95.2	Very high	93 Å²	93	44.8 Å²	44.8	49%	0.487	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.8	175.9	-56.4	179	0	0	0	113.9	S469 M507 R508 S511	S469-L471 PolarHBondContact O-N 3.24Å; S469-L471 VanDerWaalsContact O-N 3.11Å; S469-L471 PolarHBondContact OG-N 2.86Å; L471-M507 HydrophobicContact CD2-CB 4.43Å; L471-M507 WeakPolarHBondContact CD2-O 3.45Å; L471-R508 HydrophobicContact CD2-CG 4.46Å; L471-S511 WeakPolarHBondContact CA-OG 3.46Å
472	N	97	Very high	95.7	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.283	22%	0.221	S	C	.	.	S	Bend	trans	-103.7	116.2	-179.1	171.9	21.4	0	0	0	110.3	S469 V470 H474 D475 L476	S469-N472 WeakPolarHBondContact O-CB 3.45Å; S469-N472 PolarHBondContact O-N 3.31Å; V470-N472 PolarHBondContact O-N 3.43Å; N472-H474 PolarHBondContact O-N 2.85Å; N472-H474 VanDerWaalsContact O-N 3.11Å; N472-H474 WeakPolarHBondContact OD1-CB 3.25Å; N472-H474 PolarHBondContact OD1-N 3.11Å; N472-H474 VanDerWaalsContact OD1-N 3.13Å; N472-D475 HydrophobicContact CB-CB 4.26Å; N472-D475 VanDerWaalsContact ND2-CG 3.31Å; N472-D475 PolarHBondContact ND2-OD2 2.72Å; N472-D475 PolarHBondContact O-N 2.87Å; N472-L476 PolarHBondContact O-N 3.41Å
473	P	96.1	Very high	96	Very high	69 Å²	69	42.4 Å²	42.4	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-22.1	-178.3	26.3	-34.9	0	0	0	113.4	A477 Y515	P473-A477 WeakPolarHBondContact O-CB 3.49Å; P473-A477 PolarHBondContact O-N 3.25Å; P473-A477 VanDerWaalsContact O-N 3.08Å; P473-Y515 HydrophobicContact CB-CD2 3.95Å; P473-Y515 HydrophobicContact CB-CE2 4.38Å
474	H	95.9	Very high	96.1	Very high	148 Å²	148	42.8 Å²	42.8	69%	0.685	23%	0.23	S	C	*	.	H	α-helix	trans	-71.6	-29.9	172.6	-64.5	-64.7	0	0	0	113	N472 R478	N472-H474 PolarHBondContact O-N 2.85Å; N472-H474 VanDerWaalsContact O-N 3.11Å; N472-H474 WeakPolarHBondContact OD1-CB 3.25Å; N472-H474 PolarHBondContact OD1-N 3.11Å; N472-H474 VanDerWaalsContact OD1-N 3.13Å; H474-R478 VanDerWaalsContact O-CB 3.25Å; H474-R478 WeakPolarHBondContact O-CB 3.5Å; H474-R478 PolarHBondContact O-N 2.86Å
475	D	96.8	Very high	96.1	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-78.2	-36.2	175.1	-75.7	-43.8	0	0	0	111.3	L443 G468 S469 N472 R478 V479	L443-D475 HydrophobicContact CD1-CB 4.33Å; L443-D475 HydrophobicContact CD2-CB 4.43Å; G468-D475 WeakPolarHBondContact CA-OD2 3.25Å; S469-D475 PolarHBondContact N-OD2 3.35Å; S469-D475 WeakPolarHBondContact O-CB 3.19Å; N472-D475 HydrophobicContact CB-CB 4.26Å; N472-D475 VanDerWaalsContact ND2-CG 3.31Å; N472-D475 PolarHBondContact ND2-OD2 2.72Å; N472-D475 PolarHBondContact O-N 2.87Å; D475-R478 WeakPolarHBondContact O-CA 3.42Å; D475-R478 VanDerWaalsContact O-CB 3.32Å; D475-R478 WeakPolarHBondContact O-CB 3.41Å; D475-R478 PolarHBondContact O-N 3.15Å; D475-R478 IonicContact OD1-CZ 3.95Å; D475-R478 VanDerWaalsContact OD1-CZ 3.24Å; D475-R478 IonicContact OD1-NE 3.79Å; D475-R478 PolarHBondContact OD1-NE 3.02Å; D475-R478 IonicContact OD1-NH2 2.78Å; D475-R478 PolarHBondContact OD1-NH2 3.18Å; D475-V479 PolarHBondContact O-N 2.97Å; D475-V479 VanDerWaalsContact O-N 3.07Å
476	L	97.4	Very high	96.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-49.3	170.1	-71	-176.4	0	0	0	112.3	V470 N472 R478 V479 K480 I481 I512 Y515	V470-L476 HydrophobicContact CG2-CD2 3.9Å; N472-L476 PolarHBondContact O-N 3.41Å; L476-R478 PolarHBondContact O-N 2.61Å; L476-V479 WeakPolarHBondContact O-CG2 3.43Å; L476-V479 PolarHBondContact O-N 3.15Å; L476-K480 PolarHBondContact O-N 2.7Å; L476-I481 HydrophobicContact CB-CG2 3.8Å; L476-I481 HydrophobicContact CD2-CB 4.38Å; L476-I481 HydrophobicContact CD2-CG1 4.34Å; L476-I481 HydrophobicContact CD2-CG2 4.26Å; L476-I481 HydrophobicContact CG-CG2 4.5Å; L476-I481 PolarHBondContact O-N 2.88Å; L476-I512 HydrophobicContact CD2-CG1 4.35Å; L476-Y515 HydrophobicContact CB-CD1 4.25Å; L476-Y515 HydrophobicContact CB-CD2 4.15Å; L476-Y515 HydrophobicContact CB-CE1 4.37Å; L476-Y515 HydrophobicContact CB-CE2 4.25Å; L476-Y515 HydrophobicContact CB-CG 4.15Å; L476-Y515 HydrophobicContact CD1-CD1 4.38Å; L476-Y515 HydrophobicContact CD1-CD2 4.17Å; L476-Y515 HydrophobicContact CD1-CG 3.79Å
477	A	96.8	Very high	96.2	Very high	32 Å²	32	39.6 Å²	39.6	26%	0.264	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.4	173.6	0	0	0	0	0	113.6	P473 K480 Y515	P473-A477 WeakPolarHBondContact O-CB 3.49Å; P473-A477 PolarHBondContact O-N 3.25Å; P473-A477 VanDerWaalsContact O-N 3.08Å; A477-K480 PolarHBondContact O-NZ 2.82Å; A477-Y515 VanDerWaalsContact CA-OH 3.26Å; A477-Y515 WeakPolarHBondContact CA-OH 3.38Å; A477-Y515 HydrophobicContact CB-CE2 4.31Å; A477-Y515 VanDerWaalsContact CB-OH 3.25Å; A477-Y515 WeakPolarHBondContact CB-OH 3.37Å
478	R	96.2	Very high	96.3	Very high	42 Å²	42	37.5 Å²	37.5	16%	0.158	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-27.7	-176.3	-170.7	169.3	68.8	84.8	-2.6	112.8	G399 S400 Y401 Q467 H474 D475 L476	G399-R478 WeakPolarHBondContact O-CD 3.4Å; G399-R478 WeakPolarHBondContact O-CG 3.44Å; G399-R478 PolarHBondContact O-NH1 3.08Å; S400-R478 CarbonylContact C-O 3.55Å; S400-R478 VanDerWaalsContact CA-O 3.28Å; S400-R478 WeakPolarHBondContact CA-O 3.49Å; S400-R478 WeakPolarHBondContact CB-O 3.16Å; Y401-R478 PolarHBondContact N-O 3.36Å; Q467-R478 VanDerWaalsContact C-NH2 3.33Å; Q467-R478 PolarHBondContact O-NH2 3.2Å; H474-R478 VanDerWaalsContact O-CB 3.25Å; H474-R478 WeakPolarHBondContact O-CB 3.5Å; H474-R478 PolarHBondContact O-N 2.86Å; D475-R478 WeakPolarHBondContact O-CA 3.42Å; D475-R478 VanDerWaalsContact O-CB 3.32Å; D475-R478 WeakPolarHBondContact O-CB 3.41Å; D475-R478 PolarHBondContact O-N 3.15Å; D475-R478 IonicContact OD1-CZ 3.95Å; D475-R478 VanDerWaalsContact OD1-CZ 3.24Å; D475-R478 IonicContact OD1-NE 3.79Å; D475-R478 PolarHBondContact OD1-NE 3.02Å; D475-R478 IonicContact OD1-NH2 2.78Å; D475-R478 PolarHBondContact OD1-NH2 3.18Å; L476-R478 PolarHBondContact O-N 2.61Å
479	V	96.8	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.3	170.2	-58.2	0	0	0	0	113.5	H409 V411 V441 L443 Y466 D475 L476 I481	H409-V479 PolarHBondContact NE2-O 2.73Å; V411-V479 HydrophobicContact CG1-CG2 3.93Å; V411-V479 HydrophobicContact CG2-CB 4.23Å; V411-V479 HydrophobicContact CG2-CG2 3.92Å; V441-V479 HydrophobicContact CG1-CB 3.99Å; V441-V479 HydrophobicContact CG1-CG1 3.99Å; L443-V479 HydrophobicContact CB-CG1 4.27Å; L443-V479 HydrophobicContact CD1-CG1 4.05Å; L443-V479 HydrophobicContact CD2-CG1 4.22Å; L443-V479 HydrophobicContact CD2-CG2 4.06Å; L443-V479 HydrophobicContact CG-CG1 4.4Å; Y466-V479 HydrophobicContact CD2-CG1 4.09Å; Y466-V479 HydrophobicContact CG-CG1 4.38Å; D475-V479 PolarHBondContact O-N 2.97Å; D475-V479 VanDerWaalsContact O-N 3.07Å; L476-V479 WeakPolarHBondContact O-CG2 3.43Å; L476-V479 PolarHBondContact O-N 3.15Å; V479-I481 HydrophobicContact CG2-CB 4.5Å; V479-I481 PolarHBondContact O-N 2.73Å
480	K	96.6	Very high	96.5	Very high	61 Å²	61	35.3 Å²	35.3	27%	0.265	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	46.1	178.5	-58.5	-86.4	141	-105.8	0	112.2	Y401 H409 L476 A477 E482 S483 A484	Y401-K480 HydrophobicContact CD1-CB 3.97Å; Y401-K480 HydrophobicContact CD1-CG 3.98Å; H409-K480 PolarHBondContact CE1-O 2.63Å; H409-K480 VanDerWaalsContact CE1-O 3.29Å; H409-K480 PolarHBondContact NE2-O 3.2Å; L476-K480 PolarHBondContact O-N 2.7Å; A477-K480 PolarHBondContact O-NZ 2.82Å; K480-E482 WeakPolarHBondContact CD-OE1 3.35Å; K480-E482 IonicContact NZ-OE1 3.46Å; K480-E482 PolarHBondContact NZ-OE1 3.45Å; K480-E482 PolarHBondContact O-N 2.9Å; K480-E482 VanDerWaalsContact O-N 3.14Å; K480-S483 PolarHBondContact O-N 3Å; K480-A484 PolarHBondContact O-N 3.08Å
481	I	97	Very high	96.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.3	177	-158.8	69.3	0	0	0	111.2	V411 L476 V479 S483 A484 C487 I512 Y515 I519	V411-I481 HydrophobicContact CB-CD1 3.64Å; V411-I481 HydrophobicContact CG1-CD1 4.02Å; V411-I481 HydrophobicContact CG2-CD1 3.66Å; L476-I481 HydrophobicContact CB-CG2 3.8Å; L476-I481 HydrophobicContact CD2-CB 4.38Å; L476-I481 HydrophobicContact CD2-CG1 4.34Å; L476-I481 HydrophobicContact CD2-CG2 4.26Å; L476-I481 HydrophobicContact CG-CG2 4.5Å; L476-I481 PolarHBondContact O-N 2.88Å; V479-I481 HydrophobicContact CG2-CB 4.5Å; V479-I481 PolarHBondContact O-N 2.73Å; I481-S483 PolarHBondContact O-N 3.28Å; I481-A484 HydrophobicContact CD1-CB 4.33Å; I481-A484 PolarHBondContact O-N 3.48Å; I481-C487 HydrophobicContact CD1-CB 4.02Å; I481-I512 HydrophobicContact CG1-CG2 4.22Å; I481-Y515 HydrophobicContact CG2-CD1 3.25Å; I481-Y515 HydrophobicContact CG2-CE1 3.2Å; I481-Y515 HydrophobicContact CG2-CG 4.31Å; I481-I519 HydrophobicContact CD1-CD1 3.48Å; I481-I519 VanDerWaalsContact CD1-CD1 3.48Å; I481-I519 HydrophobicContact CG1-CD1 3.64Å
482	E	94.8	Very high	96.2	Very high	69 Å²	69	32.2 Å²	32.2	32%	0.322	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-64.8	-12.5	175.5	65.3	-86.7	-172.9	0	0	115.4	K480 Y515	K480-E482 WeakPolarHBondContact CD-OE1 3.35Å; K480-E482 IonicContact NZ-OE1 3.46Å; K480-E482 PolarHBondContact NZ-OE1 3.45Å; K480-E482 PolarHBondContact O-N 2.9Å; K480-E482 VanDerWaalsContact O-N 3.14Å; E482-Y515 HydrophobicContact CB-CE1 4.26Å; E482-Y515 PolarHBondContact OE2-OH 2.6Å
483	S	94.3	Very high	95.8	Very high	67 Å²	67	30.9 Å²	30.9	47%	0.469	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-131.1	13.8	174.7	77.6	0	0	0	0	113.2	K480 I481	K480-S483 PolarHBondContact O-N 3Å; I481-S483 PolarHBondContact O-N 3.28Å
484	A	95.8	Very high	95.1	Very high	15 Å²	15	30.4 Å²	30.4	12%	0.124	16%	0.156	C	C	.	.			trans	-77.2	149.4	173.8	0	0	0	0	0	110.5	H409 V411 K480 I481 I519	H409-A484 WeakPolarHBondContact O-CA 3.4Å; V411-A484 HydrophobicContact CG2-CB 4Å; K480-A484 PolarHBondContact O-N 3.08Å; I481-A484 HydrophobicContact CD1-CB 4.33Å; I481-A484 PolarHBondContact O-N 3.48Å; A484-I519 HydrophobicContact CB-CD1 4.02Å
485	D	95	Very high	94.6	Very high	53 Å²	53	24 Å²	24	28%	0.283	13%	0.128	S	C	.	.	S	Bend	trans	-78.9	-36.8	-178.7	-160.6	50.3	0	0	0	112.3	K408 H409 Y1051	K408-D485 HydrophobicContact CB-CB 4.35Å; K408-D485 HydrophobicContact CD-CB 4.16Å; K408-D485 WeakPolarHBondContact CD-OD2 3.32Å; K408-D485 WeakPolarHBondContact CE-OD1 3.28Å; K408-D485 HydrophobicContact CG-CB 4.42Å; K408-D485 IonicContact NZ-OD1 2.75Å; K408-D485 PolarHBondContact NZ-OD1 2.93Å; K408-D485 IonicContact NZ-OD2 2.61Å; K408-D485 PolarHBondContact NZ-OD2 3.09Å; H409-D485 PolarHBondContact O-N 2.72Å; D485-Y1051 PolarHBondContact OD2-OH 2.77Å
486	A	96.3	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.1	172.7	0	0	0	0	0	110.7	I410 V411 L488 R520 Y1051	I410-A486 WeakPolarHBondContact CA-O 3.21Å; I410-A486 HydrophobicContact CG2-CB 4.29Å; V411-A486 PolarHBondContact N-O 3.4Å; V411-A486 VanDerWaalsContact N-O 3.1Å; A486-L488 HydrophobicContact CB-CD1 4.04Å; A486-R520 CarbonylContact C-O 3.55Å; A486-R520 VanDerWaalsContact CA-O 3.28Å; A486-R520 WeakPolarHBondContact CA-O 3.5Å; A486-R520 HydrophobicContact CB-CB 4.21Å; A486-Y1051 HydrophobicContact CB-CD2 3.79Å; A486-Y1051 HydrophobicContact CB-CE2 3.77Å
487	C	97.8	Very high	93.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.3	164.7	-167.9	0	0	0	0	110.3	V411 I481 I512 I519 R520 I521 I522	V411-C487 CarbonylContact O-C 3.43Å; V411-C487 VanDerWaalsContact O-CA 3.27Å; V411-C487 WeakPolarHBondContact O-CA 3.31Å; V411-C487 PolarHBondContact O-SG 2.65Å; I481-C487 HydrophobicContact CD1-CB 4.02Å; C487-I512 HydrophobicContact CB-CD1 4.33Å; C487-I519 HydrophobicContact CB-CD1 3.99Å; C487-R520 PolarHBondContact N-O 3.46Å; C487-I521 HydrophobicContact CB-CG1 4.5Å; C487-I521 WeakPolarHBondContact O-CA 3.45Å; C487-I522 PolarHBondContact O-N 2.91Å
488	L	98.1	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	178.3	-76.5	72	0	0	0	108.9	I410 V411 V412 C413 F424 A486 I522 M1047 Y1051	I410-L488 HydrophobicContact CB-CD1 4.31Å; I410-L488 HydrophobicContact CD1-CD1 4.17Å; I410-L488 HydrophobicContact CD1-CD2 4.42Å; I410-L488 HydrophobicContact CG2-CD1 4.41Å; V411-L488 PolarHBondContact O-N 3.07Å; V412-L488 WeakPolarHBondContact CA-O 3.44Å; V412-L488 HydrophobicContact CG2-CB 4.4Å; C413-L488 PolarHBondContact N-O 2.89Å; F424-L488 HydrophobicContact CE2-CD2 3.47Å; F424-L488 VanDerWaalsContact CE2-CD2 3.47Å; F424-L488 HydrophobicContact CZ-CD2 3.71Å; A486-L488 HydrophobicContact CB-CD1 4.04Å; L488-I522 CarbonylContact C-O 3.53Å; L488-I522 WeakPolarHBondContact CA-O 3.38Å; L488-I522 HydrophobicContact CG-CB 4.38Å; L488-M1047 HydrophobicContact CB-CE 4.01Å; L488-M1047 HydrophobicContact CD2-CE 4.41Å; L488-M1047 HydrophobicContact CG-CE 4.26Å; L488-Y1051 HydrophobicContact CD1-CD2 4.46Å
489	I	98.1	Very high	92.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.5	-179.9	-43.8	-177.3	0	0	0	109.2	C413 N505 R508 V509 I512 I521 I522 Q524	C413-I489 WeakPolarHBondContact O-CA 3.2Å; I489-N505 WeakPolarHBondContact CG2-OD1 3.5Å; I489-R508 HydrophobicContact CD1-CB 4.12Å; I489-V509 HydrophobicContact CD1-CG2 3.58Å; I489-I512 HydrophobicContact CD1-CD1 3.88Å; I489-I512 HydrophobicContact CG1-CD1 4.44Å; I489-I521 HydrophobicContact CD1-CG2 3.87Å; I489-I521 HydrophobicContact CG1-CG2 4.19Å; I489-I522 PolarHBondContact N-O 3.35Å; I489-Q524 PolarHBondContact O-N 2.95Å
490	L	96.3	Very high	92.8	Very high	5 Å²	5	33 Å²	33	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	140	177	-58.2	175.6	0	0	0	110.3	V412 C413 G414 H415 M1047	V412-L490 HydrophobicContact CG1-CD1 3.87Å; V412-L490 HydrophobicContact CG1-CG 4.14Å; C413-L490 PolarHBondContact O-N 2.83Å; G414-L490 CarbonylContact C-O 3.59Å; G414-L490 WeakPolarHBondContact CA-O 3.28Å; H415-L490 PolarHBondContact N-O 3.12Å; L490-M1047 HydrophobicContact CD2-CE 4.18Å; L490-M1047 HydrophobicContact CD2-CG 4.44Å
491	A	95.1	Very high	92.7	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	19%	0.188	C	C	.	.			trans	-103.2	152.4	176.8	0	0	0	0	0	111.3	K493 Q524 L526	A491-K493 PolarHBondContact O-N 2.82Å; A491-Q524 HydrophobicContact CB-CB 3.74Å; A491-L526 HydrophobicContact CB-CD2 4.05Å; A491-L526 HydrophobicContact CB-CG 4.4Å
492	N	91.8	Very high	92.7	Very high	36 Å²	36	31.5 Å²	31.5	19%	0.193	19%	0.187	C	C	.	.			trans	-75.1	108.5	165.6	-176.9	1.8	0	0	0	109.1	H415 Y494 C495 E501 L526	H415-N492 HydrophobicContact CB-CB 4.15Å; N492-Y494 PolarHBondContact O-N 3.31Å; N492-Y494 PolarHBondContact OD1-N 3.09Å; N492-C495 HydrophobicContact CB-CB 4.11Å; N492-C495 PolarHBondContact O-SG 3.14Å; N492-E501 HydrophobicContact CB-CG 4.27Å; N492-L526 WeakPolarHBondContact O-CD1 3.47Å
493	K	88.1	Confident	92.7	Very high	24 Å²	24	30.5 Å²	30.5	10%	0.104	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.2	179.2	-61.6	-167.8	-67.3	-80.5	0	113.3	E419 A491 L551 V1040 D1044	E419-K493 IonicContact OE1-NZ 3.92Å; A491-K493 PolarHBondContact O-N 2.82Å; K493-L551 HydrophobicContact CD-CD1 3.94Å; K493-L551 HydrophobicContact CG-CD1 3.82Å; K493-V1040 HydrophobicContact CD-CG1 4.12Å; K493-V1040 HydrophobicContact CD-CG2 4.11Å; K493-D1044 IonicContact NZ-OD1 2.88Å; K493-D1044 PolarHBondContact NZ-OD1 3.49Å; K493-D1044 IonicContact NZ-OD2 3.17Å; K493-D1044 PolarHBondContact NZ-OD2 3.29Å
494	Y	83.3	Confident	92.8	Very high	59 Å²	59	29.6 Å²	29.6	23%	0.231	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	32.3	-169.9	-34.4	-58.7	0	0	0	111.9	E419 N492 V1006 V1040	E419-Y494 WeakPolarHBondContact OE1-CE2 3.45Å; E419-Y494 PolarHBondContact OE1-OH 3.23Å; N492-Y494 PolarHBondContact O-N 3.31Å; N492-Y494 PolarHBondContact OD1-N 3.09Å; Y494-V1006 HydrophobicContact CD1-CG1 3.55Å; Y494-V1006 HydrophobicContact CE1-CG1 3.56Å; Y494-V1040 HydrophobicContact CE1-CG1 4.02Å
495	C	85.2	Confident	92.9	Very high	15 Å²	15	28.9 Å²	28.9	10%	0.101	18%	0.179	C	C	.	.			trans	-77.7	146.3	178.4	59.4	0	0	0	0	112.6	N492 D497 E501 L526 N931	N492-C495 HydrophobicContact CB-CB 4.11Å; N492-C495 PolarHBondContact O-SG 3.14Å; C495-D497 VanDerWaalsContact C-N 3.34Å; C495-D497 PolarHBondContact O-N 2.8Å; C495-E501 HydrophobicContact CB-CB 4.36Å; C495-L526 WeakPolarHBondContact SG-CD1 3.34Å; C495-N931 PolarHBondContact O-ND2 3.34Å
496	A	81.7	Confident	93.1	Very high	82 Å²	82	27.1 Å²	27.1	68%	0.678	17%	0.169	S	C	*	.	S	Bend	trans	-48.9	-50.6	177.1	0	0	0	0	0	113.5	N931	A496-N931 PolarHBondContact O-ND2 2.92Å
497	D	87	Confident	93.1	Very high	84 Å²	84	32.1 Å²	32.1	45%	0.449	19%	0.194	S	C	.	.			trans	-119.8	106.2	179.8	178.7	-3.7	0	0	0	110.2	C495 D499 A500 E501	C495-D497 VanDerWaalsContact C-N 3.34Å; C495-D497 PolarHBondContact O-N 2.8Å; D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 PolarHBondContact O-N 3.08Å; D497-D499 PolarHBondContact OD1-N 3.2Å; D497-A500 HydrophobicContact CB-CB 4Å; D497-A500 PolarHBondContact O-N 3.46Å; D497-A500 PolarHBondContact OD1-N 2.91Å; D497-E501 PolarHBondContact O-N 3.22Å
498	P	91.1	Very high	93.1	Very high	14 Å²	14	34 Å²	34	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-31.8	177	-27.5	37.7	0	0	0	114.9	A500 D502 L526 Q527 A853	P498-A500 VanDerWaalsContact C-N 3.33Å; P498-D502 WeakPolarHBondContact O-CB 3.39Å; P498-D502 PolarHBondContact O-N 3.34Å; P498-L526 HydrophobicContact CB-CB 3.96Å; P498-L526 HydrophobicContact CB-CD1 3.81Å; P498-Q527 HydrophobicContact CB-CG 4.13Å; P498-A853 HydrophobicContact CG-CB 3.84Å
499	D	91.5	Very high	93.2	Very high	59 Å²	59	34 Å²	34	32%	0.316	20%	0.201	S	C	.	.	H	α-helix	trans	-71.9	-31.8	-178.9	-69.5	-53.6	0	0	0	111	D497 A503 H529 N530	D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 PolarHBondContact O-N 3.08Å; D497-D499 PolarHBondContact OD1-N 3.2Å; D499-A503 VanDerWaalsContact O-CB 3.24Å; D499-A503 WeakPolarHBondContact O-CB 3.38Å; D499-A503 PolarHBondContact O-N 2.96Å; D499-H529 IonicContact OD1-CD2 2.75Å; D499-H529 IonicContact OD1-CE1 2.93Å; D499-H529 IonicContact OD1-NE2 3.93Å; D499-H529 PolarHBondContact OD1-NE2 3.11Å; D499-N530 PolarHBondContact OD1-ND2 3.06Å
500	A	93.4	Very high	93.2	Very high	46 Å²	46	37.2 Å²	37.2	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-71.4	-37.6	175.3	0	0	0	0	0	113.8	D497 P498 S504	D497-A500 HydrophobicContact CB-CB 4Å; D497-A500 PolarHBondContact O-N 3.46Å; D497-A500 PolarHBondContact OD1-N 2.91Å; P498-A500 VanDerWaalsContact C-N 3.33Å; A500-S504 WeakPolarHBondContact O-CB 3.23Å; A500-S504 PolarHBondContact O-N 3.12Å; A500-S504 PolarHBondContact O-OG 2.82Å
501	E	95.1	Very high	93.2	Very high	29 Å²	29	38.1 Å²	38.1	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-74.1	-36.5	174.6	-176.9	58.8	-159.9	0	0	111.2	N492 C495 D497 S504 N505 R508 L526	N492-E501 HydrophobicContact CB-CG 4.27Å; C495-E501 HydrophobicContact CB-CB 4.36Å; D497-E501 PolarHBondContact O-N 3.22Å; E501-S504 CarbonylContact O-C 3.4Å; E501-S504 WeakPolarHBondContact O-CB 3.45Å; E501-S504 PolarHBondContact O-N 3.05Å; E501-N505 PolarHBondContact O-N 2.86Å; E501-N505 PolarHBondContact O-ND2 3.37Å; E501-R508 IonicContact OE1-CZ 2.68Å; E501-R508 IonicContact OE1-NH1 3.62Å; E501-R508 PolarHBondContact OE1-NH1 3.04Å; E501-R508 IonicContact OE1-NH2 3.27Å; E501-R508 PolarHBondContact OE1-NH2 3.29Å; E501-R508 IonicContact OE2-NH2 3.36Å; E501-R508 PolarHBondContact OE2-NH2 3.23Å; E501-L526 HydrophobicContact CB-CD1 4.18Å; E501-L526 HydrophobicContact CG-CD1 4.41Å
502	D	96.4	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-45.7	171.6	-86.4	-10.2	0	0	0	112.5	P498 S504 N505 I506 M525 L526 Q527 N530	P498-D502 WeakPolarHBondContact O-CB 3.39Å; P498-D502 PolarHBondContact O-N 3.34Å; D502-S504 PolarHBondContact O-N 2.96Å; D502-N505 WeakPolarHBondContact O-CB 3.4Å; D502-N505 PolarHBondContact O-N 3.19Å; D502-N505 VanDerWaalsContact O-N 3.1Å; D502-I506 WeakPolarHBondContact O-CD1 3.46Å; D502-I506 WeakPolarHBondContact O-CG1 3.44Å; D502-I506 PolarHBondContact O-N 3.44Å; D502-M525 HydrophobicContact CB-CE 3.71Å; D502-M525 WeakPolarHBondContact OD1-CA 3.36Å; D502-L526 PolarHBondContact OD1-N 3.22Å; D502-L526 PolarHBondContact OD2-N 3.41Å; D502-Q527 PolarHBondContact OD2-N 3.26Å; D502-N530 HydrophobicContact CB-CB 3.84Å; D502-N530 VanDerWaalsContact CB-ND2 3.25Å; D502-N530 WeakPolarHBondContact CB-ND2 3.35Å; D502-N530 PolarHBondContact OD2-ND2 2.85Å
503	A	96.4	Very high	93.6	Very high	49 Å²	49	36.5 Å²	36.5	41%	0.405	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-38.2	172.9	0	0	0	0	0	111.4	D499 I506 M507	D499-A503 VanDerWaalsContact O-CB 3.24Å; D499-A503 WeakPolarHBondContact O-CB 3.38Å; D499-A503 PolarHBondContact O-N 2.96Å; A503-I506 PolarHBondContact O-N 3.06Å; A503-M507 WeakPolarHBondContact O-CG 3.46Å; A503-M507 PolarHBondContact O-N 3.14Å
504	S	96.4	Very high	94.1	Very high	48 Å²	48	42.1 Å²	42.1	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-43.5	173.3	-62	0	0	0	0	111.7	A500 E501 D502 M507 R508	A500-S504 WeakPolarHBondContact O-CB 3.23Å; A500-S504 PolarHBondContact O-N 3.12Å; A500-S504 PolarHBondContact O-OG 2.82Å; E501-S504 CarbonylContact O-C 3.4Å; E501-S504 WeakPolarHBondContact O-CB 3.45Å; E501-S504 PolarHBondContact O-N 3.05Å; D502-S504 PolarHBondContact O-N 2.96Å; S504-M507 PolarHBondContact O-N 2.71Å; S504-R508 VanDerWaalsContact O-CG 3.26Å; S504-R508 WeakPolarHBondContact O-CG 3.09Å; S504-R508 PolarHBondContact O-N 2.96Å
505	N	97.6	Very high	94.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-45.2	174.4	-77	-42.1	0	0	0	112.6	I489 E501 D502 M507 R508 V509 M525	I489-N505 WeakPolarHBondContact CG2-OD1 3.5Å; E501-N505 PolarHBondContact O-N 2.86Å; E501-N505 PolarHBondContact O-ND2 3.37Å; D502-N505 WeakPolarHBondContact O-CB 3.4Å; D502-N505 PolarHBondContact O-N 3.19Å; D502-N505 VanDerWaalsContact O-N 3.1Å; N505-M507 VanDerWaalsContact C-N 3.28Å; N505-M507 PolarHBondContact O-N 2.83Å; N505-R508 WeakPolarHBondContact O-CA 3.32Å; N505-R508 WeakPolarHBondContact O-CB 3.39Å; N505-R508 PolarHBondContact O-N 3.19Å; N505-R508 PolarHBondContact OD1-NH1 2.88Å; N505-V509 WeakPolarHBondContact O-CG2 3.15Å; N505-V509 PolarHBondContact O-N 3.24Å; N505-M525 HydrophobicContact CB-SD 4.42Å
506	I	98	Very high	95.3	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-41.9	175.5	-67.3	157.2	0	0	0	110.6	D502 A503 R508 V509 I510 M525 N530 H533 L534	D502-I506 WeakPolarHBondContact O-CD1 3.46Å; D502-I506 WeakPolarHBondContact O-CG1 3.44Å; D502-I506 PolarHBondContact O-N 3.44Å; A503-I506 PolarHBondContact O-N 3.06Å; I506-R508 PolarHBondContact O-N 2.59Å; I506-V509 WeakPolarHBondContact O-CB 3.19Å; I506-V509 PolarHBondContact O-N 3.29Å; I506-I510 HydrophobicContact CG2-CD1 3.85Å; I506-I510 HydrophobicContact CG2-CG1 4.47Å; I506-I510 VanDerWaalsContact O-CG1 3.29Å; I506-I510 WeakPolarHBondContact O-CG1 3.22Å; I506-I510 PolarHBondContact O-N 2.84Å; I506-M525 HydrophobicContact CD1-CE 3.85Å; I506-M525 HydrophobicContact CG1-CE 3.89Å; I506-N530 HydrophobicContact CD1-CB 4.28Å; I506-H533 HydrophobicContact CD1-CB 3.92Å; I506-L534 HydrophobicContact CB-CD2 4.46Å; I506-L534 HydrophobicContact CG1-CD2 3.87Å; I506-L534 HydrophobicContact CG1-CG 4.37Å
507	M	97.6	Very high	96	Very high	104 Å²	104	44.4 Å²	44.4	51%	0.512	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-33.1	174.9	-70.6	-58.1	-59.4	0	0	113.4	L471 A503 S504 N505 I510 S511	L471-M507 HydrophobicContact CD2-CB 4.43Å; L471-M507 WeakPolarHBondContact CD2-O 3.45Å; A503-M507 WeakPolarHBondContact O-CG 3.46Å; A503-M507 PolarHBondContact O-N 3.14Å; S504-M507 PolarHBondContact O-N 2.71Å; N505-M507 VanDerWaalsContact C-N 3.28Å; N505-M507 PolarHBondContact O-N 2.83Å; M507-I510 HydrophobicContact SD-CD1 4.1Å; M507-S511 PolarHBondContact O-N 3.28Å; M507-S511 VanDerWaalsContact O-N 3.1Å
508	R	98.1	Very high	96.3	Very high	41 Å²	41	48.5 Å²	48.5	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-47.1	171.6	-61.3	164.9	-163.4	157	4.1	110.2	V470 L471 I489 E501 S504 N505 I506 I510 S511 I512	V470-R508 HydrophobicContact CG1-CB 3.87Å; V470-R508 HydrophobicContact CG1-CG 3.6Å; L471-R508 HydrophobicContact CD2-CG 4.46Å; I489-R508 HydrophobicContact CD1-CB 4.12Å; E501-R508 IonicContact OE1-CZ 2.68Å; E501-R508 IonicContact OE1-NH1 3.62Å; E501-R508 PolarHBondContact OE1-NH1 3.04Å; E501-R508 IonicContact OE1-NH2 3.27Å; E501-R508 PolarHBondContact OE1-NH2 3.29Å; E501-R508 IonicContact OE2-NH2 3.36Å; E501-R508 PolarHBondContact OE2-NH2 3.23Å; S504-R508 VanDerWaalsContact O-CG 3.26Å; S504-R508 WeakPolarHBondContact O-CG 3.09Å; S504-R508 PolarHBondContact O-N 2.96Å; N505-R508 WeakPolarHBondContact O-CA 3.32Å; N505-R508 WeakPolarHBondContact O-CB 3.39Å; N505-R508 PolarHBondContact O-N 3.19Å; N505-R508 PolarHBondContact OD1-NH1 2.88Å; I506-R508 PolarHBondContact O-N 2.59Å; R508-I510 PolarHBondContact O-N 3.38Å; R508-S511 PolarHBondContact O-N 3.37Å; R508-I512 WeakPolarHBondContact O-CD1 3.32Å; R508-I512 WeakPolarHBondContact O-CG1 3.45Å; R508-I512 PolarHBondContact O-N 2.77Å; R508-I512 VanDerWaalsContact O-N 3.14Å
509	V	98.3	Very high	96.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.2	-49.6	174.8	176.9	0	0	0	0	111.7	I489 N505 I506 S511 I512 K513 I521 T523 L534 I537 W540	I489-V509 HydrophobicContact CD1-CG2 3.58Å; N505-V509 WeakPolarHBondContact O-CG2 3.15Å; N505-V509 PolarHBondContact O-N 3.24Å; I506-V509 WeakPolarHBondContact O-CB 3.19Å; I506-V509 PolarHBondContact O-N 3.29Å; V509-S511 VanDerWaalsContact C-N 3.31Å; V509-S511 PolarHBondContact O-N 2.9Å; V509-I512 PolarHBondContact O-N 2.98Å; V509-K513 HydrophobicContact CG1-CG 4.28Å; V509-K513 PolarHBondContact O-N 3.48Å; V509-I521 HydrophobicContact CG1-CD1 4.12Å; V509-I521 HydrophobicContact CG2-CG2 4.22Å; V509-T523 HydrophobicContact CG2-CG2 4.33Å; V509-L534 HydrophobicContact CB-CD2 4.18Å; V509-L534 HydrophobicContact CG1-CD2 4.11Å; V509-L534 HydrophobicContact CG2-CD2 3.98Å; V509-I537 HydrophobicContact CB-CD1 4.48Å; V509-I537 HydrophobicContact CG1-CD1 3.85Å; V509-W540 HydrophobicContact CG1-CE3 3.8Å; V509-W540 HydrophobicContact CG1-CZ3 3.82Å; V509-W540 HydrophobicContact CG2-CZ3 4.47Å
510	I	97.9	Very high	96.8	Very high	68 Å²	68	46.6 Å²	46.6	35%	0.349	25%	0.247	S	C	.	.	H	α-helix	trans	-58.7	-43.3	-180	-70.7	166.5	0	0	0	110.8	I506 M507 R508 N514 I537	I506-I510 HydrophobicContact CG2-CD1 3.85Å; I506-I510 HydrophobicContact CG2-CG1 4.47Å; I506-I510 VanDerWaalsContact O-CG1 3.29Å; I506-I510 WeakPolarHBondContact O-CG1 3.22Å; I506-I510 PolarHBondContact O-N 2.84Å; M507-I510 HydrophobicContact SD-CD1 4.1Å; R508-I510 PolarHBondContact O-N 3.38Å; I510-N514 WeakPolarHBondContact O-CB 3.47Å; I510-N514 PolarHBondContact O-N 3.18Å; I510-I537 HydrophobicContact CD1-CD1 4.41Å; I510-I537 HydrophobicContact CG1-CD1 3.65Å; I510-I537 HydrophobicContact CG1-CG1 4.14Å
511	S	98.1	Very high	97.1	Very high	23 Å²	23	44.4 Å²	44.4	16%	0.161	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-45.2	179.3	-162.5	0	0	0	0	112.3	V470 L471 M507 R508 V509 N514 Y515	V470-S511 PolarHBondContact O-OG 3.11Å; L471-S511 WeakPolarHBondContact CA-OG 3.46Å; M507-S511 PolarHBondContact O-N 3.28Å; M507-S511 VanDerWaalsContact O-N 3.1Å; R508-S511 PolarHBondContact O-N 3.37Å; V509-S511 VanDerWaalsContact C-N 3.31Å; V509-S511 PolarHBondContact O-N 2.9Å; S511-N514 PolarHBondContact O-N 3.27Å; S511-Y515 PolarHBondContact O-N 3Å; S511-Y515 VanDerWaalsContact O-N 3.15Å
512	I	98.1	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-50.9	177.3	-61.1	157.4	0	0	0	110.7	V470 L476 I481 C487 I489 R508 V509 N514 Y515 H516 I519 I521	V470-I512 HydrophobicContact CG2-CD1 3.65Å; V470-I512 HydrophobicContact CG2-CG1 3.44Å; V470-I512 VanDerWaalsContact CG2-CG1 3.44Å; L476-I512 HydrophobicContact CD2-CG1 4.35Å; I481-I512 HydrophobicContact CG1-CG2 4.22Å; C487-I512 HydrophobicContact CB-CD1 4.33Å; I489-I512 HydrophobicContact CD1-CD1 3.88Å; I489-I512 HydrophobicContact CG1-CD1 4.44Å; R508-I512 WeakPolarHBondContact O-CD1 3.32Å; R508-I512 WeakPolarHBondContact O-CG1 3.45Å; R508-I512 PolarHBondContact O-N 2.77Å; R508-I512 VanDerWaalsContact O-N 3.14Å; V509-I512 PolarHBondContact O-N 2.98Å; I512-N514 VanDerWaalsContact C-N 3.28Å; I512-N514 PolarHBondContact O-N 3.32Å; I512-Y515 PolarHBondContact O-N 3.45Å; I512-Y515 VanDerWaalsContact O-N 3.11Å; I512-H516 PolarHBondContact O-N 3.28Å; I512-I519 HydrophobicContact CG2-CG2 3.53Å; I512-I521 HydrophobicContact CB-CD1 3.79Å; I512-I521 HydrophobicContact CD1-CD1 4.26Å; I512-I521 HydrophobicContact CG2-CD1 3.59Å; I512-I521 HydrophobicContact CG2-CG1 4.22Å
513	K	97.1	Very high	97.2	Very high	6 Å²	6	43 Å²	43	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-31.5	-179.4	-74	-59.2	-165.8	174.6	0	112.9	V509 H516 P517 I519 I521 S539 D546	V509-K513 HydrophobicContact CG1-CG 4.28Å; V509-K513 PolarHBondContact O-N 3.48Å; K513-H516 CarbonylContact O-C 3.6Å; K513-P517 WeakPolarHBondContact CD-O 3.41Å; K513-P517 PolarHBondContact NZ-O 2.84Å; K513-P517 VanDerWaalsContact NZ-O 3.09Å; K513-P517 VanDerWaalsContact O-CA 3.28Å; K513-P517 WeakPolarHBondContact O-CA 3.17Å; K513-P517 WeakPolarHBondContact O-CD 3.37Å; K513-P517 WeakPolarHBondContact O-CG 3.41Å; K513-I519 PolarHBondContact NZ-O 3.14Å; K513-I521 HydrophobicContact CD-CD1 3.78Å; K513-I521 HydrophobicContact CD-CG1 4.48Å; K513-I521 HydrophobicContact CG-CD1 3.69Å; K513-S539 WeakPolarHBondContact CD-O 3.35Å; K513-S539 WeakPolarHBondContact CE-O 3.46Å; K513-S539 PolarHBondContact NZ-O 3.06Å; K513-S539 VanDerWaalsContact NZ-O 3.14Å; K513-D546 WeakPolarHBondContact CE-OD1 3.48Å; K513-D546 VanDerWaalsContact CE-OD2 3.29Å; K513-D546 WeakPolarHBondContact CE-OD2 3.45Å; K513-D546 IonicContact NZ-OD1 3.3Å; K513-D546 PolarHBondContact NZ-OD1 3.01Å; K513-D546 IonicContact NZ-OD2 2.87Å; K513-D546 PolarHBondContact NZ-OD2 3.33Å
514	N	97.2	Very high	97.2	Very high	142 Å²	142	40.8 Å²	40.8	76%	0.759	20%	0.203	S	C	*	.	H	α-helix	trans	-70.7	-31.8	174.4	-171.7	41.2	0	0	0	112.5	I510 S511 I512	I510-N514 WeakPolarHBondContact O-CB 3.47Å; I510-N514 PolarHBondContact O-N 3.18Å; S511-N514 PolarHBondContact O-N 3.27Å; I512-N514 VanDerWaalsContact C-N 3.28Å; I512-N514 PolarHBondContact O-N 3.32Å
515	Y	97.4	Very high	97.2	Very high	78 Å²	78	38.5 Å²	38.5	31%	0.306	19%	0.187	S	C	.	.	H	α-helix	trans	-79.7	-43.6	175.3	-178.3	-84.7	0	0	0	112.5	P473 L476 A477 I481 E482 S511 I512	P473-Y515 HydrophobicContact CB-CD2 3.95Å; P473-Y515 HydrophobicContact CB-CE2 4.38Å; L476-Y515 HydrophobicContact CB-CD1 4.25Å; L476-Y515 HydrophobicContact CB-CD2 4.15Å; L476-Y515 HydrophobicContact CB-CE1 4.37Å; L476-Y515 HydrophobicContact CB-CE2 4.25Å; L476-Y515 HydrophobicContact CB-CG 4.15Å; L476-Y515 HydrophobicContact CD1-CD1 4.38Å; L476-Y515 HydrophobicContact CD1-CD2 4.17Å; L476-Y515 HydrophobicContact CD1-CG 3.79Å; A477-Y515 VanDerWaalsContact CA-OH 3.26Å; A477-Y515 WeakPolarHBondContact CA-OH 3.38Å; A477-Y515 HydrophobicContact CB-CE2 4.31Å; A477-Y515 VanDerWaalsContact CB-OH 3.25Å; A477-Y515 WeakPolarHBondContact CB-OH 3.37Å; I481-Y515 HydrophobicContact CG2-CD1 3.25Å; I481-Y515 HydrophobicContact CG2-CE1 3.2Å; I481-Y515 HydrophobicContact CG2-CG 4.31Å; E482-Y515 HydrophobicContact CB-CE1 4.26Å; E482-Y515 PolarHBondContact OE2-OH 2.6Å; S511-Y515 PolarHBondContact O-N 3Å; S511-Y515 VanDerWaalsContact O-N 3.15Å; I512-Y515 PolarHBondContact O-N 3.45Å; I512-Y515 VanDerWaalsContact O-N 3.11Å
516	H	96.8	Very high	97	Very high	60 Å²	60	39.2 Å²	39.2	28%	0.278	19%	0.191	S	C	.	.			trans	-144.1	94.6	177	-164.8	91.1	0	0	0	111.8	I512 K513 K518 I519	I512-H516 PolarHBondContact O-N 3.28Å; K513-H516 CarbonylContact O-C 3.6Å; H516-K518 PolarHBondContact O-N 3.4Å; H516-K518 VanDerWaalsContact O-N 3.09Å; H516-I519 WeakPolarHBondContact O-CG2 3.46Å; H516-I519 PolarHBondContact O-N 3.46Å
517	P	95.8	Very high	96.7	Very high	66 Å²	66	38.9 Å²	38.9	43%	0.429	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.8	-173	-29.4	34.7	0	0	0	116.1	K513	K513-P517 WeakPolarHBondContact CD-O 3.41Å; K513-P517 PolarHBondContact NZ-O 2.84Å; K513-P517 VanDerWaalsContact NZ-O 3.09Å; K513-P517 VanDerWaalsContact O-CA 3.28Å; K513-P517 WeakPolarHBondContact O-CA 3.17Å; K513-P517 WeakPolarHBondContact O-CD 3.37Å; K513-P517 WeakPolarHBondContact O-CG 3.41Å
518	K	95.1	Very high	96.4	Very high	169 Å²	169	35 Å²	35	74%	0.735	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	0.5	-171.5	-63.8	-170.6	175.5	-171	0	115.3	H516	H516-K518 PolarHBondContact O-N 3.4Å; H516-K518 VanDerWaalsContact O-N 3.09Å
519	I	96	Very high	95.9	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	17%	0.174	C	C	.	.	S	Bend	trans	-74.6	137.5	177.3	-169.6	174.6	0	0	0	109.1	I481 A484 C487 I512 K513 H516 I521	I481-I519 HydrophobicContact CD1-CD1 3.48Å; I481-I519 VanDerWaalsContact CD1-CD1 3.48Å; I481-I519 HydrophobicContact CG1-CD1 3.64Å; A484-I519 HydrophobicContact CB-CD1 4.02Å; C487-I519 HydrophobicContact CB-CD1 3.99Å; I512-I519 HydrophobicContact CG2-CG2 3.53Å; K513-I519 PolarHBondContact NZ-O 3.14Å; H516-I519 WeakPolarHBondContact O-CG2 3.46Å; H516-I519 PolarHBondContact O-N 3.46Å; I519-I521 HydrophobicContact CG2-CD1 4.32Å; I519-I521 HydrophobicContact CG2-CG1 4.04Å
520	R	97.1	Very high	95.6	Very high	27 Å²	27	36.4 Å²	36.4	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.7	170.3	-172.9	-175.7	175.8	-174.4	4.2	109.9	A486 C487 G545 D547 T1050 Y1051 D1054	A486-R520 CarbonylContact C-O 3.55Å; A486-R520 VanDerWaalsContact CA-O 3.28Å; A486-R520 WeakPolarHBondContact CA-O 3.5Å; A486-R520 HydrophobicContact CB-CB 4.21Å; C487-R520 PolarHBondContact N-O 3.46Å; R520-G545 WeakPolarHBondContact CD-O 3.36Å; R520-G545 WeakPolarHBondContact CG-O 3.28Å; R520-G545 PolarHBondContact NE-O 3.24Å; R520-D547 IonicContact CZ-OD2 3.54Å; R520-D547 IonicContact NE-OD2 2.8Å; R520-D547 IonicContact NH2-OD2 3.82Å; R520-D547 PolarHBondContact NH2-OD2 3.45Å; R520-T1050 PolarHBondContact NH1-O 3.35Å; R520-T1050 PolarHBondContact NH2-O 3.27Å; R520-Y1051 PolarHBondContact NH1-O 2.83Å; R520-Y1051 VanDerWaalsContact NH1-O 3.13Å; R520-D1054 IonicContact CZ-OD1 2.7Å; R520-D1054 VanDerWaalsContact CZ-OD1 3.23Å; R520-D1054 IonicContact CZ-OD2 3.38Å; R520-D1054 IonicContact NH1-OD1 3.55Å; R520-D1054 PolarHBondContact NH1-OD1 3.45Å; R520-D1054 IonicContact NH1-OD2 3.36Å; R520-D1054 IonicContact NH2-OD1 3.05Å; R520-D1054 PolarHBondContact NH2-OD1 3.31Å
521	I	97.9	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.2	175.3	-55.9	-178.6	0	0	0	110.2	C487 I489 V509 I512 K513 I519 W540 D546 D547	C487-I521 HydrophobicContact CB-CG1 4.5Å; C487-I521 WeakPolarHBondContact O-CA 3.45Å; I489-I521 HydrophobicContact CD1-CG2 3.87Å; I489-I521 HydrophobicContact CG1-CG2 4.19Å; V509-I521 HydrophobicContact CG1-CD1 4.12Å; V509-I521 HydrophobicContact CG2-CG2 4.22Å; I512-I521 HydrophobicContact CB-CD1 3.79Å; I512-I521 HydrophobicContact CD1-CD1 4.26Å; I512-I521 HydrophobicContact CG2-CD1 3.59Å; I512-I521 HydrophobicContact CG2-CG1 4.22Å; K513-I521 HydrophobicContact CD-CD1 3.78Å; K513-I521 HydrophobicContact CD-CG1 4.48Å; K513-I521 HydrophobicContact CG-CD1 3.69Å; I519-I521 HydrophobicContact CG2-CD1 4.32Å; I519-I521 HydrophobicContact CG2-CG1 4.04Å; I521-W540 HydrophobicContact CB-CZ3 4.22Å; I521-W540 HydrophobicContact CG2-CZ3 4.33Å; I521-D546 PolarHBondContact N-OD1 2.73Å; I521-D546 CarbonylContact O-C 3.5Å; I521-D546 WeakPolarHBondContact O-CA 3.2Å; I521-D547 PolarHBondContact O-N 2.72Å
522	I	97.8	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.3	170.7	-50.6	174.9	0	0	0	106.9	C487 L488 I489 D547 I549 M1047 T1050	C487-I522 PolarHBondContact O-N 2.91Å; L488-I522 CarbonylContact C-O 3.53Å; L488-I522 WeakPolarHBondContact CA-O 3.38Å; L488-I522 HydrophobicContact CG-CB 4.38Å; I489-I522 PolarHBondContact N-O 3.35Å; I522-D547 WeakPolarHBondContact CA-O 3.5Å; I522-D547 HydrophobicContact CG1-CB 4.37Å; I522-D547 HydrophobicContact CG2-CB 4.21Å; I522-I549 HydrophobicContact CG2-CD1 4.16Å; I522-I549 HydrophobicContact CG2-CG1 4.35Å; I522-M1047 HydrophobicContact CB-CE 4.43Å; I522-M1047 HydrophobicContact CG2-CE 4Å; I522-M1047 HydrophobicContact CG2-SD 3.74Å; I522-T1050 HydrophobicContact CD1-CG2 4.18Å; I522-T1050 HydrophobicContact CG2-CG2 4.21Å
523	T	97.5	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138	-179.1	-169.4	0	0	0	0	111.2	V509 M525 L534 W540 D547 A548 I549	V509-T523 HydrophobicContact CG2-CG2 4.33Å; T523-M525 HydrophobicContact CG2-CG 4.23Å; T523-M525 HydrophobicContact CG2-SD 4.08Å; T523-L534 HydrophobicContact CG2-CD1 3.71Å; T523-W540 HydrophobicContact CG2-CH2 4.12Å; T523-D547 PolarHBondContact N-O 3.23Å; T523-A548 HydrophobicContact CG2-CB 4.25Å; T523-I549 PolarHBondContact O-N 2.91Å
524	Q	96.4	Very high	94.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.6	159.9	-67.7	179.2	-40.2	0	0	109	I489 A491 I549 D1044 M1047	I489-Q524 PolarHBondContact O-N 2.95Å; A491-Q524 HydrophobicContact CB-CB 3.74Å; Q524-I549 WeakPolarHBondContact CA-O 3.35Å; Q524-D1044 PolarHBondContact NE2-OD1 2.98Å; Q524-M1047 HydrophobicContact CG-CE 4.26Å; Q524-M1047 HydrophobicContact CG-CG 3.96Å; Q524-M1047 HydrophobicContact CG-SD 3.6Å; Q524-M1047 VanDerWaalsContact CG-SD 3.6Å
525	M	95.2	Very high	93.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140	168.4	-62	-59.7	-63.6	0	0	107.7	D502 N505 I506 T523 N530 L534 A548 I549 C550 L551	D502-M525 HydrophobicContact CB-CE 3.71Å; D502-M525 WeakPolarHBondContact OD1-CA 3.36Å; N505-M525 HydrophobicContact CB-SD 4.42Å; I506-M525 HydrophobicContact CD1-CE 3.85Å; I506-M525 HydrophobicContact CG1-CE 3.89Å; T523-M525 HydrophobicContact CG2-CG 4.23Å; T523-M525 HydrophobicContact CG2-SD 4.08Å; M525-N530 HydrophobicContact CE-CB 3.66Å; M525-L534 HydrophobicContact CG-CD1 4.07Å; M525-L534 HydrophobicContact SD-CD1 3.94Å; M525-A548 HydrophobicContact CG-CB 4.42Å; M525-I549 PolarHBondContact N-O 3.29Å; M525-C550 HydrophobicContact CB-CB 4.48Å; M525-C550 CarbonylContact O-C 3.6Å; M525-C550 VanDerWaalsContact O-CA 3.3Å; M525-C550 WeakPolarHBondContact O-CA 3.26Å; M525-L551 PolarHBondContact O-N 3.31Å
526	L	93.5	Very high	93.4	Very high	15 Å²	15	36 Å²	36	8%	0.079	18%	0.179	C	C	.	.	S	Bend	trans	-82.3	-50.1	179.8	-56.6	177.8	0	0	0	109.8	A491 N492 C495 P498 E501 D502 L551 A552	A491-L526 HydrophobicContact CB-CD2 4.05Å; A491-L526 HydrophobicContact CB-CG 4.4Å; N492-L526 WeakPolarHBondContact O-CD1 3.47Å; C495-L526 WeakPolarHBondContact SG-CD1 3.34Å; P498-L526 HydrophobicContact CB-CB 3.96Å; P498-L526 HydrophobicContact CB-CD1 3.81Å; E501-L526 HydrophobicContact CB-CD1 4.18Å; E501-L526 HydrophobicContact CG-CD1 4.41Å; D502-L526 PolarHBondContact OD1-N 3.22Å; D502-L526 PolarHBondContact OD2-N 3.41Å; L526-L551 HydrophobicContact CD2-CD1 3.99Å; L526-A552 WeakPolarHBondContact O-CB 3.34Å; L526-A552 PolarHBondContact O-N 3.06Å
527	Q	92.1	Very high	93.3	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.047	17%	0.171	C	C	.	.	S	Bend	trans	-101.4	156.2	-177.4	-61.7	-64.4	-16.6	0	0	113.4	P498 D502 H529 C550 L854	P498-Q527 HydrophobicContact CB-CG 4.13Å; D502-Q527 PolarHBondContact OD2-N 3.26Å; Q527-H529 VanDerWaalsContact CB-CE1 3.46Å; Q527-H529 WeakPolarHBondContact CB-CE1 3.06Å; Q527-C550 PolarHBondContact O-SG 3.14Å; Q527-C550 VanDerWaalsContact O-SG 3.37Å; Q527-L854 PolarHBondContact NE2-O 3.49Å
528	Y	90.6	Very high	93.1	Very high	21 Å²	21	37.3 Å²	37.3	8%	0.082	19%	0.191	C	C	.	.	H	α-helix	trans	-82.9	-34.1	-178.2	-177.4	-103	0	0	0	113.5	K531 E553 I1076	Y528-K531 HydrophobicContact CD2-CD 4.22Å; Y528-K531 HydrophobicContact CE2-CD 4.21Å; Y528-K531 WeakPolarHBondContact O-CB 3.32Å; Y528-K531 PolarHBondContact O-N 2.88Å; Y528-E553 HydrophobicContact CD2-CB 3.99Å; Y528-E553 HydrophobicContact CD2-CG 4Å; Y528-E553 HydrophobicContact CE2-CG 4.15Å; Y528-E553 WeakPolarHBondContact CE2-OE2 3.19Å; Y528-I1076 HydrophobicContact CE1-CD1 4.13Å; Y528-I1076 HydrophobicContact CE1-CG2 4.16Å
529	H	87.9	Confident	93.1	Very high	58 Å²	58	31.3 Å²	31.3	27%	0.269	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-40.7	177.1	48.4	-86.5	0	0	0	112.3	D499 Q527 K531 A532	D499-H529 IonicContact OD1-CD2 2.75Å; D499-H529 IonicContact OD1-CE1 2.93Å; D499-H529 IonicContact OD1-NE2 3.93Å; D499-H529 PolarHBondContact OD1-NE2 3.11Å; Q527-H529 VanDerWaalsContact CB-CE1 3.46Å; Q527-H529 WeakPolarHBondContact CB-CE1 3.06Å; H529-K531 PolarHBondContact O-N 3.46Å; H529-A532 VanDerWaalsContact O-CB 3.27Å; H529-A532 WeakPolarHBondContact O-CB 3.45Å; H529-A532 PolarHBondContact O-N 3.2Å
530	N	92.1	Very high	93	Very high	14 Å²	14	32.3 Å²	32.3	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-30.8	179	-66.5	-29.6	0	0	0	113	D499 D502 I506 M525 A532 H533	D499-N530 PolarHBondContact OD1-ND2 3.06Å; D502-N530 HydrophobicContact CB-CB 3.84Å; D502-N530 VanDerWaalsContact CB-ND2 3.25Å; D502-N530 WeakPolarHBondContact CB-ND2 3.35Å; D502-N530 PolarHBondContact OD2-ND2 2.85Å; I506-N530 HydrophobicContact CD1-CB 4.28Å; M525-N530 HydrophobicContact CE-CB 3.66Å; N530-A532 PolarHBondContact O-N 3.45Å; N530-H533 WeakPolarHBondContact O-CB 3.45Å; N530-H533 PolarHBondContact O-N 2.91Å
531	K	90.7	Very high	92.7	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.057	18%	0.182	C	C	.	.	H	α-helix	trans	-54.8	-33.7	174.6	-162.7	-167.9	-174.1	-170.8	0	112.8	Y528 H529 H533 L534 A548 C550 E553 E1073	Y528-K531 HydrophobicContact CD2-CD 4.22Å; Y528-K531 HydrophobicContact CE2-CD 4.21Å; Y528-K531 WeakPolarHBondContact O-CB 3.32Å; Y528-K531 PolarHBondContact O-N 2.88Å; H529-K531 PolarHBondContact O-N 3.46Å; K531-H533 PolarHBondContact O-N 3.48Å; K531-L534 WeakPolarHBondContact O-CB 3.42Å; K531-L534 PolarHBondContact O-N 2.82Å; K531-L534 VanDerWaalsContact O-N 3.17Å; K531-A548 WeakPolarHBondContact CE-O 3.44Å; K531-A548 HydrophobicContact CG-CB 3.92Å; K531-C550 HydrophobicContact CD-CB 4.23Å; K531-E553 IonicContact NZ-OE1 3.72Å; K531-E553 IonicContact NZ-OE2 3.7Å; K531-E553 PolarHBondContact NZ-OE2 3.31Å; K531-E1073 IonicContact NZ-OE1 2.78Å; K531-E1073 PolarHBondContact NZ-OE1 3.19Å
532	A	87.9	Confident	92.1	Very high	20 Å²	20	39.8 Å²	39.8	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-29.6	178.2	0	0	0	0	0	112.7	H529 N530 L534 L535 A1077	H529-A532 VanDerWaalsContact O-CB 3.27Å; H529-A532 WeakPolarHBondContact O-CB 3.45Å; H529-A532 PolarHBondContact O-N 3.2Å; N530-A532 PolarHBondContact O-N 3.45Å; A532-L534 PolarHBondContact O-N 3.37Å; A532-L535 PolarHBondContact O-N 3.26Å; A532-A1077 HydrophobicContact CB-CB 3.77Å
533	H	91.1	Very high	91.5	Very high	94 Å²	94	46.9 Å²	46.9	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-66.4	-25.8	177.7	-58.3	-39.7	0	0	0	113	I506 N530 K531 N536	I506-H533 HydrophobicContact CD1-CB 3.92Å; N530-H533 WeakPolarHBondContact O-CB 3.45Å; N530-H533 PolarHBondContact O-N 2.91Å; K531-H533 PolarHBondContact O-N 3.48Å; H533-N536 PolarHBondContact O-N 2.89Å
534	L	93.3	Very high	90.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-38	174.3	-60.7	174.2	0	0	0	111.7	I506 V509 T523 M525 K531 A532 N536 I537 W540 A548	I506-L534 HydrophobicContact CB-CD2 4.46Å; I506-L534 HydrophobicContact CG1-CD2 3.87Å; I506-L534 HydrophobicContact CG1-CG 4.37Å; V509-L534 HydrophobicContact CB-CD2 4.18Å; V509-L534 HydrophobicContact CG1-CD2 4.11Å; V509-L534 HydrophobicContact CG2-CD2 3.98Å; T523-L534 HydrophobicContact CG2-CD1 3.71Å; M525-L534 HydrophobicContact CG-CD1 4.07Å; M525-L534 HydrophobicContact SD-CD1 3.94Å; K531-L534 WeakPolarHBondContact O-CB 3.42Å; K531-L534 PolarHBondContact O-N 2.82Å; K531-L534 VanDerWaalsContact O-N 3.17Å; A532-L534 PolarHBondContact O-N 3.37Å; L534-N536 PolarHBondContact O-N 2.76Å; L534-I537 HydrophobicContact CD2-CD1 4.03Å; L534-I537 WeakPolarHBondContact O-CB 3.3Å; L534-I537 PolarHBondContact O-N 2.71Å; L534-W540 HydrophobicContact CB-CD2 4.16Å; L534-W540 HydrophobicContact CB-CE3 4.4Å; L534-W540 HydrophobicContact CD1-CH2 4.16Å; L534-W540 HydrophobicContact CD1-CZ2 4.32Å; L534-W540 HydrophobicContact CD1-CZ3 4.48Å; L534-W540 HydrophobicContact CD2-CZ3 4.48Å; L534-W540 WeakPolarHBondContact O-CB 3.2Å; L534-A548 HydrophobicContact CD1-CB 3.6Å
535	L	88	Confident	90.5	Very high	69 Å²	69	52.9 Å²	52.9	36%	0.361	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-20.6	177.1	-59.3	178.9	0	0	0	113	A532 I537 E1073	A532-L535 PolarHBondContact O-N 3.26Å; L535-I537 VanDerWaalsContact C-N 3.33Å; L535-E1073 HydrophobicContact CD1-CB 4.15Å
536	N	89.6	Confident	90.5	Very high	112 Å²	112	53 Å²	53	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.7	175.5	-64	-21.9	0	0	0	113.2	H533 L534	H533-N536 PolarHBondContact O-N 2.89Å; L534-N536 PolarHBondContact O-N 2.76Å
537	I	93.4	Very high	90.5	Very high	20 Å²	20	53 Å²	53	10%	0.103	27%	0.267	C	S	.	.	S	Bend	trans	-80.2	119.6	176.7	-59	172.3	0	0	0	108.4	V509 I510 L534 L535 S539 W540	V509-I537 HydrophobicContact CB-CD1 4.48Å; V509-I537 HydrophobicContact CG1-CD1 3.85Å; I510-I537 HydrophobicContact CD1-CD1 4.41Å; I510-I537 HydrophobicContact CG1-CD1 3.65Å; I510-I537 HydrophobicContact CG1-CG1 4.14Å; L534-I537 HydrophobicContact CD2-CD1 4.03Å; L534-I537 WeakPolarHBondContact O-CB 3.3Å; L534-I537 PolarHBondContact O-N 2.71Å; L535-I537 VanDerWaalsContact C-N 3.33Å; I537-S539 PolarHBondContact O-N 3.2Å; I537-W540 HydrophobicContact CB-CB 4.02Å; I537-W540 HydrophobicContact CG2-CB 4.43Å; I537-W540 WeakPolarHBondContact O-CB 3.36Å; I537-W540 PolarHBondContact O-N 3.23Å
538	P	92.8	Very high	90.7	Very high	133 Å²	133	53.1 Å²	53.1	86%	0.864	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.5	-172.2	28	-36.8	0	0	0	114.5
539	S	94.7	Very high	90.9	Very high	42 Å²	42	52.1 Å²	52.1	29%	0.294	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.8	175.4	-53.7	0	0	0	0	113.5	K513 I537	K513-S539 WeakPolarHBondContact CD-O 3.35Å; K513-S539 WeakPolarHBondContact CE-O 3.46Å; K513-S539 PolarHBondContact NZ-O 3.06Å; K513-S539 VanDerWaalsContact NZ-O 3.14Å; I537-S539 PolarHBondContact O-N 3.2Å
540	W	94	Very high	91.2	Very high	28 Å²	28	49.4 Å²	49.4	11%	0.106	25%	0.253	C	S	.	.			trans	-88.5	116.1	173	-177	-87	0	0	0	110	V509 I521 T523 L534 I537 D546 A548	V509-W540 HydrophobicContact CG1-CE3 3.8Å; V509-W540 HydrophobicContact CG1-CZ3 3.82Å; V509-W540 HydrophobicContact CG2-CZ3 4.47Å; I521-W540 HydrophobicContact CB-CZ3 4.22Å; I521-W540 HydrophobicContact CG2-CZ3 4.33Å; T523-W540 HydrophobicContact CG2-CH2 4.12Å; L534-W540 HydrophobicContact CB-CD2 4.16Å; L534-W540 HydrophobicContact CB-CE3 4.4Å; L534-W540 HydrophobicContact CD1-CH2 4.16Å; L534-W540 HydrophobicContact CD1-CZ2 4.32Å; L534-W540 HydrophobicContact CD1-CZ3 4.48Å; L534-W540 HydrophobicContact CD2-CZ3 4.48Å; L534-W540 WeakPolarHBondContact O-CB 3.2Å; I537-W540 HydrophobicContact CB-CB 4.02Å; I537-W540 HydrophobicContact CG2-CB 4.43Å; I537-W540 WeakPolarHBondContact O-CB 3.36Å; I537-W540 PolarHBondContact O-N 3.23Å; W540-D546 HydrophobicContact CD2-CB 3.76Å; W540-D546 HydrophobicContact CE3-CB 4Å; W540-D546 HydrophobicContact CG-CB 4.3Å; W540-D546 HydrophobicContact CH2-CB 4.01Å; W540-D546 VanDerWaalsContact CZ2-C 3.45Å; W540-D546 HydrophobicContact CZ2-CB 3.78Å; W540-D546 WeakPolarHBondContact CZ2-O 3.37Å; W540-D546 HydrophobicContact CZ3-CB 4.12Å; W540-A548 HydrophobicContact CH2-CB 4.35Å; W540-A548 HydrophobicContact CZ2-CB 3.99Å
541	N	90.5	Very high	91.3	Very high	50 Å²	50	49.1 Å²	49.1	27%	0.267	25%	0.251	S	S	.	.			trans	-130.4	92.4	-173.8	-173.3	10.6	0	0	0	111.7	K543 E544 G545 D546	N541-K543 PolarHBondContact O-N 3.17Å; N541-K543 WeakPolarHBondContact OD1-CB 3.32Å; N541-K543 PolarHBondContact OD1-N 3.3Å; N541-K543 VanDerWaalsContact OD1-N 3.12Å; N541-E544 HydrophobicContact CB-CB 4.39Å; N541-E544 VanDerWaalsContact ND2-CD 3.26Å; N541-E544 VanDerWaalsContact ND2-CG 3.33Å; N541-E544 WeakPolarHBondContact ND2-CG 3.43Å; N541-E544 PolarHBondContact ND2-OE2 2.84Å; N541-E544 PolarHBondContact O-N 3.37Å; N541-G545 PolarHBondContact O-N 2.69Å; N541-D546 PolarHBondContact N-OD2 2.91Å; N541-D546 PolarHBondContact O-N 3.33Å
542	W	85.4	Confident	91.4	Very high	134 Å²	134	48.9 Å²	48.9	51%	0.508	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-12.2	174.1	62.8	-96	0	0	0	114.4	P1070	W542-P1070 HydrophobicContact CH2-CG 4.36Å; W542-P1070 HydrophobicContact CZ2-CB 4.32Å; W542-P1070 HydrophobicContact CZ2-CG 4.43Å
543	K	84.2	Confident	91.7	Very high	149 Å²	149	48.2 Å²	48.2	65%	0.648	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.9	174.6	-57	177.8	-177.8	174.5	0	113.7	N541	N541-K543 PolarHBondContact O-N 3.17Å; N541-K543 WeakPolarHBondContact OD1-CB 3.32Å; N541-K543 PolarHBondContact OD1-N 3.3Å; N541-K543 VanDerWaalsContact OD1-N 3.12Å
544	E	86.4	Confident	91.8	Very high	123 Å²	123	43.9 Å²	43.9	58%	0.575	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	11.5	170.1	-75.9	174.8	141.4	0	0	111.6	N541	N541-E544 HydrophobicContact CB-CB 4.39Å; N541-E544 VanDerWaalsContact ND2-CD 3.26Å; N541-E544 VanDerWaalsContact ND2-CG 3.33Å; N541-E544 WeakPolarHBondContact ND2-CG 3.43Å; N541-E544 PolarHBondContact ND2-OE2 2.84Å; N541-E544 PolarHBondContact O-N 3.37Å
545	G	88	Confident	91.9	Very high	4 Å²	4	44.6 Å²	44.6	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	15.9	174.9	0	0	0	0	0	115.4	R520 N541 D547	R520-G545 WeakPolarHBondContact CD-O 3.36Å; R520-G545 WeakPolarHBondContact CG-O 3.28Å; R520-G545 PolarHBondContact NE-O 3.24Å; N541-G545 PolarHBondContact O-N 2.69Å; G545-D547 PolarHBondContact O-N 3.24Å; G545-D547 VanDerWaalsContact O-N 3.14Å; G545-D547 VanDerWaalsContact O-OD2 3.07Å
546	D	94.8	Very high	92.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.211	C	C	.	.			trans	-68.7	109.9	170.1	-70.5	-38.5	0	0	0	110.2	K513 I521 W540 N541	K513-D546 WeakPolarHBondContact CE-OD1 3.48Å; K513-D546 VanDerWaalsContact CE-OD2 3.29Å; K513-D546 WeakPolarHBondContact CE-OD2 3.45Å; K513-D546 IonicContact NZ-OD1 3.3Å; K513-D546 PolarHBondContact NZ-OD1 3.01Å; K513-D546 IonicContact NZ-OD2 2.87Å; K513-D546 PolarHBondContact NZ-OD2 3.33Å; I521-D546 PolarHBondContact N-OD1 2.73Å; I521-D546 CarbonylContact O-C 3.5Å; I521-D546 WeakPolarHBondContact O-CA 3.2Å; W540-D546 HydrophobicContact CD2-CB 3.76Å; W540-D546 HydrophobicContact CE3-CB 4Å; W540-D546 HydrophobicContact CG-CB 4.3Å; W540-D546 HydrophobicContact CH2-CB 4.01Å; W540-D546 VanDerWaalsContact CZ2-C 3.45Å; W540-D546 HydrophobicContact CZ2-CB 3.78Å; W540-D546 WeakPolarHBondContact CZ2-O 3.37Å; W540-D546 HydrophobicContact CZ3-CB 4.12Å; N541-D546 PolarHBondContact N-OD2 2.91Å; N541-D546 PolarHBondContact O-N 3.33Å
547	D	94.2	Very high	92.5	Very high	15 Å²	15	36 Å²	36	8%	0.08	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.6	-167.4	-77.8	-56.4	0	0	0	111.8	R520 I521 I522 T523 G545 T1050 L1057	R520-D547 IonicContact CZ-OD2 3.54Å; R520-D547 IonicContact NE-OD2 2.8Å; R520-D547 IonicContact NH2-OD2 3.82Å; R520-D547 PolarHBondContact NH2-OD2 3.45Å; I521-D547 PolarHBondContact O-N 2.72Å; I522-D547 WeakPolarHBondContact CA-O 3.5Å; I522-D547 HydrophobicContact CG1-CB 4.37Å; I522-D547 HydrophobicContact CG2-CB 4.21Å; T523-D547 PolarHBondContact N-O 3.23Å; G545-D547 PolarHBondContact O-N 3.24Å; G545-D547 VanDerWaalsContact O-N 3.14Å; G545-D547 VanDerWaalsContact O-OD2 3.07Å; D547-T1050 HydrophobicContact CB-CG2 3.72Å; D547-T1050 VanDerWaalsContact OD2-CG2 3.23Å; D547-T1050 WeakPolarHBondContact OD2-CG2 3.36Å; D547-L1057 HydrophobicContact CB-CD2 3.88Å
548	A	94.7	Very high	92.6	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	103.3	177.2	0	0	0	0	0	110.3	T523 M525 K531 L534 W540 C550	T523-A548 HydrophobicContact CG2-CB 4.25Å; M525-A548 HydrophobicContact CG-CB 4.42Å; K531-A548 WeakPolarHBondContact CE-O 3.44Å; K531-A548 HydrophobicContact CG-CB 3.92Å; L534-A548 HydrophobicContact CD1-CB 3.6Å; W540-A548 HydrophobicContact CH2-CB 4.35Å; W540-A548 HydrophobicContact CZ2-CB 3.99Å; A548-C550 PolarHBondContact O-N 3.5Å
549	I	95.3	Very high	92.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	94.3	-179.5	-54.1	-168.3	0	0	0	108.7	I522 T523 Q524 M525 L551 L554 L1046 M1047 L1057	I522-I549 HydrophobicContact CG2-CD1 4.16Å; I522-I549 HydrophobicContact CG2-CG1 4.35Å; T523-I549 PolarHBondContact O-N 2.91Å; Q524-I549 WeakPolarHBondContact CA-O 3.35Å; M525-I549 PolarHBondContact N-O 3.29Å; I549-L551 HydrophobicContact CG2-CD2 4.32Å; I549-L551 PolarHBondContact O-N 2.94Å; I549-L554 HydrophobicContact CG2-CD1 3.66Å; I549-L1046 HydrophobicContact CD1-CB 4.44Å; I549-L1046 HydrophobicContact CD1-CD2 4.48Å; I549-L1046 HydrophobicContact CD1-CG 4.16Å; I549-L1046 HydrophobicContact CG2-CD2 4.06Å; I549-M1047 HydrophobicContact CD1-CG 4.28Å; I549-M1047 HydrophobicContact CD1-SD 3.66Å; I549-M1047 HydrophobicContact CG1-SD 4.3Å; I549-L1057 HydrophobicContact CG1-CD1 4.2Å; I549-L1057 HydrophobicContact CG1-CD2 3.93Å
550	C	94.8	Very high	92.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.2	175.2	-178.8	0	0	0	0	110.8	M525 Q527 K531 A548 E553 L554	M525-C550 HydrophobicContact CB-CB 4.48Å; M525-C550 CarbonylContact O-C 3.6Å; M525-C550 VanDerWaalsContact O-CA 3.3Å; M525-C550 WeakPolarHBondContact O-CA 3.26Å; Q527-C550 PolarHBondContact O-SG 3.14Å; Q527-C550 VanDerWaalsContact O-SG 3.37Å; K531-C550 HydrophobicContact CD-CB 4.23Å; A548-C550 PolarHBondContact O-N 3.5Å; C550-E553 HydrophobicContact CB-CB 3.65Å; C550-E553 PolarHBondContact O-N 3.06Å; C550-E553 PolarHBondContact SG-N 3.25Å; C550-L554 WeakPolarHBondContact O-CG 3.45Å; C550-L554 PolarHBondContact O-N 3.11Å; C550-L554 VanDerWaalsContact O-N 3.14Å
551	L	93.7	Very high	92.9	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-68.4	-43.1	-177.6	-59.9	-173	0	0	0	111.6	K493 M525 L526 I549 E553 L554 K555 V1040 L1043	K493-L551 HydrophobicContact CD-CD1 3.94Å; K493-L551 HydrophobicContact CG-CD1 3.82Å; M525-L551 PolarHBondContact O-N 3.31Å; L526-L551 HydrophobicContact CD2-CD1 3.99Å; I549-L551 HydrophobicContact CG2-CD2 4.32Å; I549-L551 PolarHBondContact O-N 2.94Å; L551-E553 PolarHBondContact O-N 3.29Å; L551-L554 PolarHBondContact O-N 3.38Å; L551-K555 WeakPolarHBondContact O-CB 3.3Å; L551-K555 PolarHBondContact O-N 3.26Å; L551-V1040 HydrophobicContact CD1-CG2 4.45Å; L551-L1043 HydrophobicContact CB-CD1 4.5Å; L551-L1043 HydrophobicContact CD2-CB 3.89Å; L551-L1043 HydrophobicContact CD2-CD1 3.99Å
552	A	92.6	Very high	93.2	Very high	9 Å²	9	23.6 Å²	23.6	7%	0.074	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-36	175.7	0	0	0	0	0	113.2	L526 L556	L526-A552 WeakPolarHBondContact O-CB 3.34Å; L526-A552 PolarHBondContact O-N 3.06Å; A552-L556 WeakPolarHBondContact O-CB 3.2Å; A552-L556 PolarHBondContact O-N 3.31Å
553	E	94.1	Very high	93.7	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.028	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-50.2	175.2	-174.8	-172.2	162.8	0	0	111	Y528 K531 C550 L551 G557 R1061 T1065	Y528-E553 HydrophobicContact CD2-CB 3.99Å; Y528-E553 HydrophobicContact CD2-CG 4Å; Y528-E553 HydrophobicContact CE2-CG 4.15Å; Y528-E553 WeakPolarHBondContact CE2-OE2 3.19Å; K531-E553 IonicContact NZ-OE1 3.72Å; K531-E553 IonicContact NZ-OE2 3.7Å; K531-E553 PolarHBondContact NZ-OE2 3.31Å; C550-E553 HydrophobicContact CB-CB 3.65Å; C550-E553 PolarHBondContact O-N 3.06Å; C550-E553 PolarHBondContact SG-N 3.25Å; L551-E553 PolarHBondContact O-N 3.29Å; E553-G557 PolarHBondContact O-N 3.44Å; E553-G557 VanDerWaalsContact O-N 3.11Å; E553-R1061 IonicContact OE1-CZ 2.85Å; E553-R1061 IonicContact OE1-NE 2.76Å; E553-R1061 PolarHBondContact OE1-NE 3.43Å; E553-R1061 IonicContact OE1-NH2 3.9Å; E553-R1061 PolarHBondContact OE1-NH2 2.72Å; E553-R1061 IonicContact OE2-CZ 2.65Å; E553-R1061 IonicContact OE2-NE 3.83Å; E553-R1061 IonicContact OE2-NH2 3.25Å; E553-T1065 HydrophobicContact CG-CG2 4.06Å; E553-T1065 WeakPolarHBondContact OE1-CG2 3.44Å
554	L	94.5	Very high	94.2	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-75.2	-47.5	-175.9	-68.8	172.5	0	0	0	112.3	I549 C550 L551 G557 F558 L1043 L1046 L1057 I1060 R1061	I549-L554 HydrophobicContact CG2-CD1 3.66Å; C550-L554 WeakPolarHBondContact O-CG 3.45Å; C550-L554 PolarHBondContact O-N 3.11Å; C550-L554 VanDerWaalsContact O-N 3.14Å; L551-L554 PolarHBondContact O-N 3.38Å; L554-G557 CarbonylContact O-C 2.94Å; L554-G557 PolarHBondContact O-N 2.87Å; L554-F558 HydrophobicContact CB-CD2 4.36Å; L554-F558 HydrophobicContact CB-CE2 4.06Å; L554-F558 WeakPolarHBondContact O-CD2 3.38Å; L554-F558 PolarHBondContact O-N 2.81Å; L554-L1043 HydrophobicContact CB-CD1 4.28Å; L554-L1043 HydrophobicContact CB-CD2 4.38Å; L554-L1046 HydrophobicContact CD1-CD2 3.44Å; L554-L1046 VanDerWaalsContact CD1-CD2 3.44Å; L554-L1057 HydrophobicContact CD1-CD1 4.24Å; L554-I1060 HydrophobicContact CD2-CG2 4.08Å; L554-R1061 HydrophobicContact CD2-CG 4.15Å
555	K	94.1	Very high	94.6	Very high	17 Å²	17	5.8 Å²	5.8	7%	0.074	3%	0.034	C	C	.	.	H	α-helix	trans	-54	-58	178.9	178.3	-177.9	72.1	156.3	0	111.6	L551 G557 F558 I559 E1004 F1038 L1043	L551-K555 WeakPolarHBondContact O-CB 3.3Å; L551-K555 PolarHBondContact O-N 3.26Å; K555-G557 VanDerWaalsContact C-N 3.26Å; K555-G557 PolarHBondContact O-N 2.92Å; K555-F558 PolarHBondContact O-N 2.94Å; K555-I559 HydrophobicContact CG-CD1 4.28Å; K555-I559 WeakPolarHBondContact O-CG1 3.49Å; K555-I559 PolarHBondContact O-N 3.11Å; K555-E1004 VanDerWaalsContact CD-CD 3.5Å; K555-E1004 HydrophobicContact CD-CG 4.22Å; K555-E1004 WeakPolarHBondContact CD-OE1 3.37Å; K555-E1004 WeakPolarHBondContact CE-OE2 3.39Å; K555-E1004 IonicContact NZ-OE1 3.84Å; K555-E1004 PolarHBondContact NZ-OE1 3.12Å; K555-E1004 IonicContact NZ-OE2 2.91Å; K555-E1004 PolarHBondContact NZ-OE2 2.74Å; K555-F1038 HydrophobicContact CB-CE1 4.27Å; K555-F1038 HydrophobicContact CG-CD1 4.17Å; K555-F1038 HydrophobicContact CG-CE1 3.94Å; K555-L1043 HydrophobicContact CB-CD1 4.27Å
556	L	95.6	Very high	94.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.5	-29.7	-179.9	-66.6	-177.7	0	0	0	111.8	A552 A560 I855 G856 N859 L860 L926	A552-L556 WeakPolarHBondContact O-CB 3.2Å; A552-L556 PolarHBondContact O-N 3.31Å; L556-A560 VanDerWaalsContact O-CB 3.22Å; L556-A560 WeakPolarHBondContact O-CB 3.47Å; L556-A560 PolarHBondContact O-N 3.13Å; L556-I855 HydrophobicContact CD1-CG2 3.99Å; L556-I855 HydrophobicContact CD2-CG2 4.18Å; L556-I855 HydrophobicContact CG-CG2 4.38Å; L556-G856 WeakPolarHBondContact CD1-O 3.38Å; L556-N859 HydrophobicContact CB-CB 3.91Å; L556-N859 HydrophobicContact CD1-CB 4Å; L556-L860 HydrophobicContact CB-CB 4.09Å; L556-L860 HydrophobicContact CD1-CB 4.35Å; L556-L860 HydrophobicContact CD2-CB 4.39Å; L556-L860 WeakPolarHBondContact O-CD1 3.36Å; L556-L926 HydrophobicContact CD2-CD1 3.83Å; L556-L926 HydrophobicContact CD2-CD2 4.11Å
557	G	95.6	Very high	94.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.4	-46	172.8	0	0	0	0	0	113.9	E553 L554 K555 I559 A560 Q561 V1064	E553-G557 PolarHBondContact O-N 3.44Å; E553-G557 VanDerWaalsContact O-N 3.11Å; L554-G557 CarbonylContact O-C 2.94Å; L554-G557 PolarHBondContact O-N 2.87Å; K555-G557 VanDerWaalsContact C-N 3.26Å; K555-G557 PolarHBondContact O-N 2.92Å; G557-I559 VanDerWaalsContact C-N 3.3Å; G557-I559 PolarHBondContact O-N 2.93Å; G557-A560 WeakPolarHBondContact O-CB 3.29Å; G557-A560 PolarHBondContact O-N 2.78Å; G557-Q561 WeakPolarHBondContact O-CG 3.3Å; G557-Q561 PolarHBondContact O-N 2.96Å; G557-V1064 VanDerWaalsContact CA-CG1 3.49Å
558	F	95.8	Very high	94.9	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-62.8	-39.1	177.2	-75	-60.5	0	0	0	111.5	L554 K555 S562 L572 F576 F1038 L1043 I1060 V1064	L554-F558 HydrophobicContact CB-CD2 4.36Å; L554-F558 HydrophobicContact CB-CE2 4.06Å; L554-F558 WeakPolarHBondContact O-CD2 3.38Å; L554-F558 PolarHBondContact O-N 2.81Å; K555-F558 PolarHBondContact O-N 2.94Å; F558-S562 WeakPolarHBondContact O-CB 3.46Å; F558-S562 PolarHBondContact O-N 2.61Å; F558-S562 PolarHBondContact O-OG 3.37Å; F558-L572 HydrophobicContact CD1-CB 4.08Å; F558-L572 HydrophobicContact CD1-CD1 3.99Å; F558-L572 HydrophobicContact CE1-CB 3.55Å; F558-L572 HydrophobicContact CE1-CD1 3.77Å; F558-L572 HydrophobicContact CE1-CG 4.32Å; F558-F576 HydrophobicContact CE1-CE1 4.4Å; F558-F576 HydrophobicContact CE2-CE1 4.42Å; F558-F576 HydrophobicContact CE2-CZ 4.31Å; F558-F576 AromaticContact CZ-CE1 3.74Å; F558-F576 HydrophobicContact CZ-CE1 3.74Å; F558-F576 HydrophobicContact CZ-CZ 4.07Å; F558-F1038 HydrophobicContact CB-CE2 4Å; F558-F1038 HydrophobicContact CB-CZ 4.05Å; F558-F1038 HydrophobicContact CD2-CE2 4.22Å; F558-F1038 AromaticContact CD2-CZ 3.77Å; F558-F1038 HydrophobicContact CD2-CZ 3.77Å; F558-F1038 HydrophobicContact CG-CE2 4.26Å; F558-F1038 HydrophobicContact CG-CZ 4.2Å; F558-L1043 HydrophobicContact CD2-CD2 4.09Å; F558-L1043 HydrophobicContact CE2-CD2 3.65Å; F558-I1060 HydrophobicContact CE1-CG2 4.22Å; F558-I1060 HydrophobicContact CZ-CG2 3.71Å; F558-V1064 HydrophobicContact CD1-CG1 4.31Å; F558-V1064 HydrophobicContact CD1-CG2 3.87Å; F558-V1064 HydrophobicContact CE1-CG2 3.55Å; F558-V1064 HydrophobicContact CG-CG1 4.44Å; F558-V1064 HydrophobicContact CZ-CG2 4.2Å
559	I	96.7	Very high	94.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-65.7	-43.9	173.1	-66	170.8	0	0	0	110.7	K555 G557 Q561 S562 C563 L860 V924 L926 I1002 F1038	K555-I559 HydrophobicContact CG-CD1 4.28Å; K555-I559 WeakPolarHBondContact O-CG1 3.49Å; K555-I559 PolarHBondContact O-N 3.11Å; G557-I559 VanDerWaalsContact C-N 3.3Å; G557-I559 PolarHBondContact O-N 2.93Å; I559-Q561 PolarHBondContact O-N 3.17Å; I559-S562 WeakPolarHBondContact O-CB 3.41Å; I559-S562 PolarHBondContact O-N 3.16Å; I559-S562 VanDerWaalsContact O-N 3.12Å; I559-C563 PolarHBondContact O-N 3.19Å; I559-C563 PolarHBondContact O-SG 2.99Å; I559-L860 HydrophobicContact CB-CD1 4.21Å; I559-L860 HydrophobicContact CG2-CD1 3.74Å; I559-V924 HydrophobicContact CG2-CB 4.35Å; I559-V924 HydrophobicContact CG2-CG1 3.45Å; I559-V924 VanDerWaalsContact CG2-CG1 3.45Å; I559-V924 HydrophobicContact CG2-CG2 3.92Å; I559-L926 HydrophobicContact CD1-CD2 4.04Å; I559-I1002 HydrophobicContact CG1-CD1 4.16Å; I559-I1002 HydrophobicContact CG2-CG2 3.99Å; I559-F1038 HydrophobicContact CD1-CD1 4.39Å; I559-F1038 HydrophobicContact CG1-CB 4.5Å; I559-F1038 HydrophobicContact CG1-CD1 4.44Å
560	A	96.2	Very high	94.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.3	-45.1	177	0	0	0	0	0	112.7	L556 G557 S562 C563 L860 P863 L864	L556-A560 VanDerWaalsContact O-CB 3.22Å; L556-A560 WeakPolarHBondContact O-CB 3.47Å; L556-A560 PolarHBondContact O-N 3.13Å; G557-A560 WeakPolarHBondContact O-CB 3.29Å; G557-A560 PolarHBondContact O-N 2.78Å; A560-S562 VanDerWaalsContact C-N 3.29Å; A560-S562 PolarHBondContact O-N 3.33Å; A560-C563 WeakPolarHBondContact O-CB 3.38Å; A560-C563 PolarHBondContact O-N 3.46Å; A560-L860 HydrophobicContact CB-CD1 4.12Å; A560-L860 WeakPolarHBondContact CB-O 3.41Å; A560-P863 HydrophobicContact CB-CB 3.94Å; A560-P863 HydrophobicContact CB-CG 3.94Å; A560-L864 HydrophobicContact CB-CG 4.16Å; A560-L864 WeakPolarHBondContact O-CD2 3.32Å
561	Q	94.6	Very high	94.9	Very high	9 Å²	9	6.2 Å²	6.2	4%	0.042	3%	0.032	C	C	.	.	H	α-helix	trans	-67.1	-32	174.8	-63.3	-61.1	-34.6	0	0	112.1	G557 I559 C563 L564 A565 L568 L1063 V1064	G557-Q561 WeakPolarHBondContact O-CG 3.3Å; G557-Q561 PolarHBondContact O-N 2.96Å; I559-Q561 PolarHBondContact O-N 3.17Å; Q561-C563 VanDerWaalsContact C-N 3.27Å; Q561-C563 PolarHBondContact O-N 3.15Å; Q561-L564 WeakPolarHBondContact O-CA 3.39Å; Q561-L564 WeakPolarHBondContact O-CB 3.42Å; Q561-L564 PolarHBondContact O-N 2.71Å; Q561-A565 PolarHBondContact O-N 3.15Å; Q561-L568 HydrophobicContact CB-CD2 3.59Å; Q561-L568 HydrophobicContact CG-CD2 4.34Å; Q561-L1063 PolarHBondContact NE2-O 2.8Å; Q561-V1064 PolarHBondContact NE2-O 3.43Å
562	S	96.3	Very high	94.9	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	3%	0.032	C	C	.	.	H	α-helix	trans	-68	-27	174.8	-57.6	0	0	0	0	112.8	F558 I559 A560 L564 A565 Q566 S569	F558-S562 WeakPolarHBondContact O-CB 3.46Å; F558-S562 PolarHBondContact O-N 2.61Å; F558-S562 PolarHBondContact O-OG 3.37Å; I559-S562 WeakPolarHBondContact O-CB 3.41Å; I559-S562 PolarHBondContact O-N 3.16Å; I559-S562 VanDerWaalsContact O-N 3.12Å; A560-S562 VanDerWaalsContact C-N 3.29Å; A560-S562 PolarHBondContact O-N 3.33Å; S562-L564 PolarHBondContact O-N 2.92Å; S562-A565 WeakPolarHBondContact CA-O 3.42Å; S562-A565 CarbonylContact O-C 3.49Å; S562-A565 VanDerWaalsContact O-C 3.3Å; S562-Q566 WeakPolarHBondContact O-CA 3.44Å; S562-Q566 PolarHBondContact O-N 3.2Å; S562-S569 WeakPolarHBondContact OG-CB 3.29Å; S562-S569 PolarHBondContact OG-N 2.63Å; S562-S569 PolarHBondContact OG-OG 2.79Å
563	C	96	Very high	94.9	Very high	3 Å²	3	5.8 Å²	5.8	2%	0.02	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.6	168.6	-57.9	0	0	0	0	113.4	I559 A560 Q561 V842 L864 K875 M922 V924	I559-C563 PolarHBondContact O-N 3.19Å; I559-C563 PolarHBondContact O-SG 2.99Å; A560-C563 WeakPolarHBondContact O-CB 3.38Å; A560-C563 PolarHBondContact O-N 3.46Å; Q561-C563 VanDerWaalsContact C-N 3.27Å; Q561-C563 PolarHBondContact O-N 3.15Å; C563-V842 HydrophobicContact CB-CG2 4.09Å; C563-L864 HydrophobicContact CB-CD1 4.46Å; C563-L864 HydrophobicContact CB-CD2 4.11Å; C563-K875 WeakPolarHBondContact O-CE 3.29Å; C563-K875 PolarHBondContact O-NZ 3Å; C563-M922 HydrophobicContact CB-CB 4.08Å; C563-M922 HydrophobicContact CB-CG 4.32Å; C563-V924 WeakPolarHBondContact SG-CG2 3.44Å
564	L	93.6	Very high	94.8	Very high	29 Å²	29	5.5 Å²	5.5	15%	0.152	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-39.2	174.1	-59.5	171.5	0	0	0	111.5	Q561 S562 L864 F869	Q561-L564 WeakPolarHBondContact O-CA 3.39Å; Q561-L564 WeakPolarHBondContact O-CB 3.42Å; Q561-L564 PolarHBondContact O-N 2.71Å; S562-L564 PolarHBondContact O-N 2.92Å; L564-L864 HydrophobicContact CD1-CD2 4.3Å; L564-L864 HydrophobicContact CD2-CD2 3.74Å; L564-L864 HydrophobicContact CG-CD2 3.81Å; L564-F869 HydrophobicContact CD1-CE2 3.98Å; L564-F869 HydrophobicContact CD1-CZ 3.82Å; L564-F869 HydrophobicContact CD2-CE1 4.4Å; L564-F869 HydrophobicContact CD2-CE2 4.37Å; L564-F869 HydrophobicContact CD2-CZ 3.88Å; L564-F869 HydrophobicContact CG-CZ 4.43Å
565	A	95	Very high	94.6	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.008	3%	0.028	C	C	.	.	S	Bend	trans	-143.7	104.3	177.3	0	0	0	0	0	110.2	Q561 S562 G567 L568 V1100 Q1102 F1173	Q561-A565 PolarHBondContact O-N 3.15Å; S562-A565 WeakPolarHBondContact CA-O 3.42Å; S562-A565 CarbonylContact O-C 3.49Å; S562-A565 VanDerWaalsContact O-C 3.3Å; A565-G567 PolarHBondContact O-N 3.18Å; A565-L568 WeakPolarHBondContact O-CB 3.07Å; A565-L568 PolarHBondContact O-N 2.75Å; A565-V1100 HydrophobicContact CB-CG1 3.91Å; A565-Q1102 HydrophobicContact CB-CG 3.88Å; A565-F1173 HydrophobicContact CB-CD1 4.14Å; A565-F1173 HydrophobicContact CB-CE1 4.11Å
566	Q	95.2	Very high	94.2	Very high	44 Å²	44	5.1 Å²	5.1	21%	0.206	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	136	-173.1	-172.7	179.3	2.9	0	0	111.4	S562 M922 Q1102 Y1138 F1173	S562-Q566 WeakPolarHBondContact O-CA 3.44Å; S562-Q566 PolarHBondContact O-N 3.2Å; Q566-M922 HydrophobicContact CB-CE 3.96Å; Q566-M922 HydrophobicContact CG-CE 3.77Å; Q566-Q1102 PolarHBondContact O-NE2 3Å; Q566-Y1138 HydrophobicContact CB-CE1 3.96Å; Q566-Y1138 HydrophobicContact CG-CE1 4.08Å; Q566-Y1138 WeakPolarHBondContact CG-OH 3.32Å; Q566-Y1138 PolarHBondContact NE2-OH 3.43Å; Q566-F1173 WeakPolarHBondContact O-CE1 3.3Å; Q566-F1173 WeakPolarHBondContact O-CZ 3.46Å
567	G	94.1	Very high	93.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-3.4	-175.3	0	0	0	0	0	115.6	A565 S569 T570 M571 V1156	A565-G567 PolarHBondContact O-N 3.18Å; G567-S569 VanDerWaalsContact C-N 3.3Å; G567-S569 PolarHBondContact O-N 3.23Å; G567-T570 PolarHBondContact O-N 3.44Å; G567-M571 PolarHBondContact O-N 2.7Å; G567-V1156 WeakPolarHBondContact O-CG2 3.34Å
568	L	95.1	Very high	92.9	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-66.1	-30.6	178.2	-161.1	80.1	0	0	0	113.1	Q561 A565 M571 L572 V1100 F1135 F1173	Q561-L568 HydrophobicContact CB-CD2 3.59Å; Q561-L568 HydrophobicContact CG-CD2 4.34Å; A565-L568 WeakPolarHBondContact O-CB 3.07Å; A565-L568 PolarHBondContact O-N 2.75Å; L568-M571 HydrophobicContact CD1-SD 4.14Å; L568-M571 WeakPolarHBondContact O-CB 3.42Å; L568-M571 PolarHBondContact O-N 3.02Å; L568-L572 HydrophobicContact CD2-CD1 3.9Å; L568-L572 HydrophobicContact CG-CD1 3.97Å; L568-L572 HydrophobicContact CG-CG 4.15Å; L568-L572 WeakPolarHBondContact O-CG 3.42Å; L568-L572 PolarHBondContact O-N 3.29Å; L568-V1100 HydrophobicContact CD1-CG1 3.91Å; L568-V1100 HydrophobicContact CD2-CB 4.32Å; L568-V1100 HydrophobicContact CD2-CG1 3.85Å; L568-V1100 HydrophobicContact CD2-CG2 4.07Å; L568-V1100 HydrophobicContact CG-CG1 4.47Å; L568-F1135 HydrophobicContact CD1-CE2 3.68Å; L568-F1135 HydrophobicContact CD1-CZ 3.76Å; L568-F1173 HydrophobicContact CB-CE1 4.27Å; L568-F1173 HydrophobicContact CD1-CD1 3.86Å; L568-F1173 HydrophobicContact CD1-CE1 4.1Å
569	S	95.1	Very high	92.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-55.3	-56.2	173.3	49.6	0	0	0	0	111.8	S562 G567 M571 L572 A573	S562-S569 WeakPolarHBondContact OG-CB 3.29Å; S562-S569 PolarHBondContact OG-N 2.63Å; S562-S569 PolarHBondContact OG-OG 2.79Å; G567-S569 VanDerWaalsContact C-N 3.3Å; G567-S569 PolarHBondContact O-N 3.23Å; S569-M571 PolarHBondContact O-N 3.28Å; S569-L572 PolarHBondContact O-N 3.36Å; S569-A573 VanDerWaalsContact O-CB 3.31Å; S569-A573 WeakPolarHBondContact O-CB 3.46Å; S569-A573 PolarHBondContact O-N 3.4Å
570	T	95.1	Very high	90.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.8	-47.4	174.8	-54.2	0	0	0	0	111.6	G567 L572 A573 N574 Y593 F1032 G1035 V1156	G567-T570 PolarHBondContact O-N 3.44Å; T570-L572 PolarHBondContact O-N 2.86Å; T570-A573 PolarHBondContact O-N 2.85Å; T570-N574 WeakPolarHBondContact O-CB 3.41Å; T570-N574 PolarHBondContact O-N 3.06Å; T570-N574 PolarHBondContact O-OD1 3.38Å; T570-Y593 HydrophobicContact CG2-CE2 4.19Å; T570-F1032 WeakPolarHBondContact CB-O 3.26Å; T570-F1032 HydrophobicContact CG2-CD1 3.88Å; T570-F1032 HydrophobicContact CG2-CE1 3.73Å; T570-F1032 HydrophobicContact CG2-CZ 4.43Å; T570-F1032 WeakPolarHBondContact CG2-O 3.37Å; T570-F1032 PolarHBondContact OG1-O 3.01Å; T570-G1035 VanDerWaalsContact OG1-CA 3.28Å; T570-G1035 WeakPolarHBondContact OG1-CA 3.39Å; T570-V1156 HydrophobicContact CG2-CB 4.43Å; T570-V1156 HydrophobicContact CG2-CG2 4.26Å
571	M	95	Very high	90	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-53.2	-53.1	176.9	171.8	157.5	-60.2	0	0	111.4	G567 L568 S569 N574 L575 F1135 V1156 T1158 F1173	G567-M571 PolarHBondContact O-N 2.7Å; L568-M571 HydrophobicContact CD1-SD 4.14Å; L568-M571 WeakPolarHBondContact O-CB 3.42Å; L568-M571 PolarHBondContact O-N 3.02Å; S569-M571 PolarHBondContact O-N 3.28Å; M571-N574 PolarHBondContact O-N 2.82Å; M571-L575 WeakPolarHBondContact O-CG 3.49Å; M571-F1135 HydrophobicContact SD-CD2 3.42Å; M571-F1135 WeakPolarHBondContact SD-CD2 3.42Å; M571-F1135 HydrophobicContact SD-CE2 3.31Å; M571-F1135 WeakPolarHBondContact SD-CE2 3.29Å; M571-V1156 HydrophobicContact CB-CG1 3.84Å; M571-V1156 HydrophobicContact CE-CG1 3.6Å; M571-T1158 HydrophobicContact CB-CG2 4.4Å; M571-T1158 HydrophobicContact CE-CG2 3.87Å; M571-T1158 HydrophobicContact CG-CG2 3.53Å; M571-T1158 HydrophobicContact SD-CG2 4.05Å; M571-F1173 HydrophobicContact CE-CB 4.43Å; M571-F1173 HydrophobicContact CE-CD2 3.32Å; M571-F1173 HydrophobicContact CE-CE2 3.53Å; M571-F1173 HydrophobicContact CE-CG 3.93Å; M571-F1173 HydrophobicContact CE-CZ 4.3Å; M571-F1173 HydrophobicContact SD-CB 4.46Å; M571-F1173 HydrophobicContact SD-CD2 4.21Å; M571-F1173 HydrophobicContact SD-CG 4.23Å
572	L	92.9	Very high	89.4	Confident	6 Å²	6	18.9 Å²	18.9	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-73.6	-36.8	-175.5	-64.3	175.7	0	0	0	112.1	F558 L568 S569 T570 N574 L575 F576 L1063 V1064	F558-L572 HydrophobicContact CD1-CB 4.08Å; F558-L572 HydrophobicContact CD1-CD1 3.99Å; F558-L572 HydrophobicContact CE1-CB 3.55Å; F558-L572 HydrophobicContact CE1-CD1 3.77Å; F558-L572 HydrophobicContact CE1-CG 4.32Å; L568-L572 HydrophobicContact CD2-CD1 3.9Å; L568-L572 HydrophobicContact CG-CD1 3.97Å; L568-L572 HydrophobicContact CG-CG 4.15Å; L568-L572 WeakPolarHBondContact O-CG 3.42Å; L568-L572 PolarHBondContact O-N 3.29Å; S569-L572 PolarHBondContact O-N 3.36Å; T570-L572 PolarHBondContact O-N 2.86Å; L572-N574 VanDerWaalsContact C-N 3.28Å; L572-N574 PolarHBondContact O-N 3.34Å; L572-L575 HydrophobicContact CD2-CD1 4.09Å; L572-L575 PolarHBondContact O-N 3.21Å; L572-L575 VanDerWaalsContact O-N 3.12Å; L572-F576 WeakPolarHBondContact O-CD1 3.42Å; L572-F576 WeakPolarHBondContact O-CE1 3.25Å; L572-L1063 HydrophobicContact CD1-CD2 3.96Å; L572-L1063 HydrophobicContact CD2-CD2 3.82Å; L572-V1064 HydrophobicContact CD1-CG2 3.91Å
573	A	92.5	Very high	88.8	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-38.6	174.8	0	0	0	0	0	112.4	S569 T570 L575 F576 S577 F1032 V1042	S569-A573 VanDerWaalsContact O-CB 3.31Å; S569-A573 WeakPolarHBondContact O-CB 3.46Å; S569-A573 PolarHBondContact O-N 3.4Å; T570-A573 PolarHBondContact O-N 2.85Å; A573-L575 VanDerWaalsContact C-N 3.28Å; A573-L575 PolarHBondContact O-N 3.48Å; A573-F576 HydrophobicContact CB-CZ 4.44Å; A573-S577 PolarHBondContact O-N 3.02Å; A573-F1032 HydrophobicContact CB-CZ 4.06Å; A573-V1042 HydrophobicContact CB-CB 4.4Å; A573-V1042 HydrophobicContact CB-CG2 4.15Å
574	N	92.4	Very high	88.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-27.5	177.3	-67.9	-3.4	0	0	0	112.9	T570 M571 L572 F576 R579 Y593	T570-N574 WeakPolarHBondContact O-CB 3.41Å; T570-N574 PolarHBondContact O-N 3.06Å; T570-N574 PolarHBondContact O-OD1 3.38Å; M571-N574 PolarHBondContact O-N 2.82Å; L572-N574 VanDerWaalsContact C-N 3.28Å; L572-N574 PolarHBondContact O-N 3.34Å; N574-F576 VanDerWaalsContact C-N 3.31Å; N574-F576 PolarHBondContact O-N 3.2Å; N574-R579 PolarHBondContact OD1-NH1 2.85Å; N574-R579 PolarHBondContact OD1-NH2 3.12Å; N574-Y593 PolarHBondContact ND2-OH 2.83Å; N574-Y593 VanDerWaalsContact ND2-OH 3.13Å
575	L	90.8	Very high	87.9	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.9	-177.2	-63.7	175.5	0	0	0	115.1	M571 L572 A573 N599 M601 I663 T1158	M571-L575 WeakPolarHBondContact O-CG 3.49Å; L572-L575 HydrophobicContact CD2-CD1 4.09Å; L572-L575 PolarHBondContact O-N 3.21Å; L572-L575 VanDerWaalsContact O-N 3.12Å; A573-L575 VanDerWaalsContact C-N 3.28Å; A573-L575 PolarHBondContact O-N 3.48Å; L575-N599 HydrophobicContact CD2-CB 4.21Å; L575-N599 VanDerWaalsContact CD2-O 3.32Å; L575-N599 WeakPolarHBondContact CD2-O 3.45Å; L575-M601 HydrophobicContact CB-CB 4.42Å; L575-M601 HydrophobicContact CB-CE 4.3Å; L575-M601 HydrophobicContact CD1-CE 4.16Å; L575-M601 PolarHBondContact O-N 2.82Å; L575-I663 HydrophobicContact CD1-CD1 3.51Å; L575-I663 HydrophobicContact CD1-CG1 4.22Å; L575-I663 HydrophobicContact CD2-CD1 3.83Å; L575-I663 HydrophobicContact CD2-CG1 4.18Å; L575-I663 HydrophobicContact CD2-CG2 3.82Å; L575-I663 HydrophobicContact CG-CD1 4.34Å; L575-T1158 HydrophobicContact CD2-CG2 4.01Å; L575-T1158 HydrophobicContact CG-CG2 4.37Å
576	F	84.6	Confident	87.5	Confident	7 Å²	7	40 Å²	40	3%	0.031	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-5.8	-178.8	64.1	-106.5	0	0	0	116.2	F558 L572 A573 N574 V1042 L1043 L1046 A1049 I1060	F558-F576 HydrophobicContact CE1-CE1 4.4Å; F558-F576 HydrophobicContact CE2-CE1 4.42Å; F558-F576 HydrophobicContact CE2-CZ 4.31Å; F558-F576 AromaticContact CZ-CE1 3.74Å; F558-F576 HydrophobicContact CZ-CE1 3.74Å; F558-F576 HydrophobicContact CZ-CZ 4.07Å; L572-F576 WeakPolarHBondContact O-CD1 3.42Å; L572-F576 WeakPolarHBondContact O-CE1 3.25Å; A573-F576 HydrophobicContact CB-CZ 4.44Å; N574-F576 VanDerWaalsContact C-N 3.31Å; N574-F576 PolarHBondContact O-N 3.2Å; F576-V1042 WeakPolarHBondContact CE2-O 3.37Å; F576-L1043 HydrophobicContact CZ-CD2 4.23Å; F576-L1046 HydrophobicContact CB-CD1 4.34Å; F576-L1046 HydrophobicContact CD1-CD1 4.4Å; F576-L1046 HydrophobicContact CD2-CB 4.11Å; F576-L1046 HydrophobicContact CD2-CD1 4.01Å; F576-L1046 HydrophobicContact CE2-CB 4.07Å; F576-L1046 HydrophobicContact CE2-CD1 4.4Å; F576-L1046 HydrophobicContact CG-CD1 4.01Å; F576-A1049 HydrophobicContact CB-CB 4.25Å; F576-I1060 HydrophobicContact CD1-CD1 3.62Å; F576-I1060 HydrophobicContact CE1-CD1 4.14Å; F576-I1060 HydrophobicContact CG-CD1 4.28Å
577	S	84.1	Confident	86.9	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	20%	0.203	C	C	.	.	S	Bend	trans	-80.6	136.9	158	-60.2	0	0	0	0	109.7	A573 R579 S1045	A573-S577 PolarHBondContact O-N 3.02Å; S577-R579 PolarHBondContact OG-NH2 2.74Å; S577-S1045 PolarHBondContact OG-OG 2.89Å
578	M	79.2	Confident	86.7	Confident	20 Å²	20	43.5 Å²	43.5	10%	0.099	21%	0.214	C	C	.	.			trans	-80.6	121.3	170.9	-62.5	-62.2	-48.5	0	0	109	D427 H430 D432 R433 E600	D427-M578 PolarHBondContact OD1-N 3.27Å; H430-M578 HydrophobicContact CB-CB 3.66Å; H430-M578 HydrophobicContact CB-CG 4.19Å; D432-M578 HydrophobicContact CB-CE 4.15Å; R433-M578 HydrophobicContact CG-CE 4.05Å; R433-M578 HydrophobicContact CG-CG 4.28Å; R433-M578 HydrophobicContact CG-SD 4.21Å; M578-E600 HydrophobicContact CE-CG 4.36Å; M578-E600 WeakPolarHBondContact CE-OE1 3.4Å; M578-E600 HydrophobicContact SD-CG 4.3Å
579	R	80.2	Confident	86.5	Confident	25 Å²	25	44.8 Å²	44.8	9%	0.094	22%	0.219	C	C	.	.			trans	-139.2	127.4	-177.9	-57.8	-168.9	-162.5	135.9	11.8	112.5	N574 S577 F581 V597 Y1027	N574-R579 PolarHBondContact OD1-NH1 2.85Å; N574-R579 PolarHBondContact OD1-NH2 3.12Å; S577-R579 PolarHBondContact OG-NH2 2.74Å; R579-F581 PolarHBondContact O-N 2.98Å; R579-V597 HydrophobicContact CB-CG1 4.03Å; R579-Y1027 VanDerWaalsContact NH1-CG 3.3Å
580	S	69.8	Low	86.3	Confident	57 Å²	57	48.1 Å²	48.1	40%	0.399	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-65.7	129.2	178.6	58.1	0	0	0	0	111.5	H430 D432 I582	H430-S580 PolarHBondContact CE1-N 2.74Å; D432-S580 WeakPolarHBondContact OD2-CA 3.47Å; S580-I582 PolarHBondContact O-N 3.31Å
581	F	78.4	Confident	86.1	Confident	115 Å²	115	51.2 Å²	51.2	50%	0.504	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-62	118.4	174.3	175.1	-103.8	0	0	0	111.7	R579 K583	R579-F581 PolarHBondContact O-N 2.98Å; F581-K583 HydrophobicContact CE1-CB 3.88Å; F581-K583 HydrophobicContact CE1-CG 4.33Å; F581-K583 HydrophobicContact CZ-CB 4.44Å
582	I	82.8	Confident	86	Confident	76 Å²	76	53.6 Å²	53.6	39%	0.39	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-97.2	119.6	173.7	-61.2	172.3	0	0	0	108.5	S580 I584 L594	S580-I582 PolarHBondContact O-N 3.31Å; I582-I584 PolarHBondContact O-N 3.23Å; I582-L594 HydrophobicContact CB-CD1 4.19Å
583	K	83.4	Confident	86.1	Confident	139 Å²	139	53.4 Å²	53.4	60%	0.604	26%	0.256	S	S	*	.			trans	-83.7	103.8	178	-170.7	-154.2	175	-164	0	110.7	F581 E585	F581-K583 HydrophobicContact CE1-CB 3.88Å; F581-K583 HydrophobicContact CE1-CG 4.33Å; F581-K583 HydrophobicContact CZ-CB 4.44Å; K583-E585 HydrophobicContact CD-CG 4.47Å; K583-E585 IonicContact NZ-OE1 2.69Å; K583-E585 PolarHBondContact NZ-OE1 2.98Å
584	I	86.5	Confident	86.1	Confident	42 Å²	42	53.5 Å²	53.5	22%	0.215	26%	0.256	C	S	.	.			trans	-83.7	133.9	165.4	-60.1	-178.4	0	0	0	109	I582 E586 Q590 K591 L594	I582-I584 PolarHBondContact O-N 3.23Å; I584-E586 HydrophobicContact CG2-CB 4.28Å; I584-Q590 HydrophobicContact CD1-CB 3.56Å; I584-K591 HydrophobicContact CB-CB 4.11Å; I584-K591 HydrophobicContact CG2-CB 4.22Å; I584-L594 HydrophobicContact CD1-CD1 3.6Å; I584-L594 HydrophobicContact CG1-CD1 3.98Å
585	E	84.4	Confident	85.9	Confident	152 Å²	152	56.9 Å²	56.9	71%	0.71	27%	0.272	S	S	*	.			trans	-95	-27	177.4	-55	-154.8	139.8	0	0	113	K583	K583-E585 HydrophobicContact CD-CG 4.47Å; K583-E585 IonicContact NZ-OE1 2.69Å; K583-E585 PolarHBondContact NZ-OE1 2.98Å
586	E	85.6	Confident	86	Confident	145 Å²	145	56.7 Å²	56.7	68%	0.678	27%	0.271	S	S	*	.	S	Bend	trans	-71.7	149.8	175.5	-60	-172	170.2	0	0	111.8	I584 T588 K591	I584-E586 HydrophobicContact CG2-CB 4.28Å; E586-T588 VanDerWaalsContact C-N 3.34Å; E586-T588 HydrophobicContact CB-CG2 4.15Å; E586-T588 PolarHBondContact O-N 3.4Å; E586-K591 VanDerWaalsContact O-CD 3.22Å; E586-K591 WeakPolarHBondContact O-CD 3.28Å
587	D	83.2	Confident	86.3	Confident	82 Å²	82	56.6 Å²	56.6	44%	0.439	27%	0.271	S	S	.	.			trans	-88	72.7	-175.6	-153.9	44.3	0	0	0	111.2	K591 Y592 H1144	D587-K591 IonicContact OD1-NZ 2.71Å; D587-K591 PolarHBondContact OD1-NZ 2.88Å; D587-Y592 PolarHBondContact OD1-OH 3.35Å; D587-H1144 PolarHBondContact O-CD2 3.37Å; D587-H1144 PolarHBondContact O-NE2 3.16Å
588	T	89	Confident	86.6	Confident	36 Å²	36	57.4 Å²	57.4	22%	0.221	28%	0.276	C	S	.	.	S	Bend	trans	-111	166.9	-179.6	69.1	0	0	0	0	111.7	E586 Q590 K591 Y592	E586-T588 VanDerWaalsContact C-N 3.34Å; E586-T588 HydrophobicContact CB-CG2 4.15Å; E586-T588 PolarHBondContact O-N 3.4Å; T588-Q590 PolarHBondContact O-N 3.06Å; T588-Q590 PolarHBondContact OG1-N 2.79Å; T588-K591 WeakPolarHBondContact O-CB 3.39Å; T588-K591 PolarHBondContact O-N 3.26Å; T588-Y592 WeakPolarHBondContact O-CD2 3.45Å
589	W	90.7	Very high	87.1	Confident	28 Å²	28	57 Å²	57	11%	0.106	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-33.3	172.8	69.5	-96.9	0	0	0	112.6	K591 Y592 Y593 L1028 Q1030 A1033 R1141 Y1155	W589-K591 VanDerWaalsContact C-N 3.34Å; W589-K591 PolarHBondContact O-N 3.17Å; W589-Y592 PolarHBondContact O-N 3.13Å; W589-Y593 HydrophobicContact CZ3-CD1 4.29Å; W589-Y593 HydrophobicContact CZ3-CG 4.19Å; W589-Y593 WeakPolarHBondContact O-CB 3.47Å; W589-Y593 PolarHBondContact O-N 2.84Å; W589-L1028 WeakPolarHBondContact CH2-O 3.34Å; W589-Q1030 HydrophobicContact CH2-CB 4.39Å; W589-Q1030 HydrophobicContact CZ2-CB 4.05Å; W589-A1033 HydrophobicContact CH2-CB 3.82Å; W589-A1033 HydrophobicContact CZ3-CB 3.47Å; W589-A1033 VanDerWaalsContact CZ3-CB 3.47Å; W589-R1141 HydrophobicContact CB-CG 4.01Å; W589-R1141 HydrophobicContact CD2-CG 4.46Å; W589-R1141 HydrophobicContact CG-CG 3.75Å; W589-Y1155 HydrophobicContact CB-CD1 4Å; W589-Y1155 HydrophobicContact CB-CE1 3.73Å; W589-Y1155 HydrophobicContact CB-CE2 4.5Å; W589-Y1155 HydrophobicContact CB-CG 4.49Å; W589-Y1155 HydrophobicContact CE3-CD2 4.46Å; W589-Y1155 HydrophobicContact CE3-CG 4.29Å; W589-Y1155 WeakPolarHBondContact O-CE2 3.07Å
590	Q	91.1	Very high	87.6	Confident	69 Å²	69	56.5 Å²	56.5	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-37.2	-179.6	-66.6	176.6	-19.7	0	0	112.5	I584 T588 Y592 Y593 L594	I584-Q590 HydrophobicContact CD1-CB 3.56Å; T588-Q590 PolarHBondContact O-N 3.06Å; T588-Q590 PolarHBondContact OG1-N 2.79Å; Q590-Y592 PolarHBondContact O-N 3Å; Q590-Y593 PolarHBondContact O-N 3.48Å; Q590-L594 WeakPolarHBondContact O-CB 3.4Å; Q590-L594 WeakPolarHBondContact O-CG 3.45Å; Q590-L594 PolarHBondContact O-N 3.22Å
591	K	92	Very high	88.5	Confident	66 Å²	66	54.8 Å²	54.8	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-56.6	-48.2	176.3	168.4	-175.2	159.1	-167.4	0	111.7	I584 E586 D587 T588 W589 E595	I584-K591 HydrophobicContact CB-CB 4.11Å; I584-K591 HydrophobicContact CG2-CB 4.22Å; E586-K591 VanDerWaalsContact O-CD 3.22Å; E586-K591 WeakPolarHBondContact O-CD 3.28Å; D587-K591 IonicContact OD1-NZ 2.71Å; D587-K591 PolarHBondContact OD1-NZ 2.88Å; T588-K591 WeakPolarHBondContact O-CB 3.39Å; T588-K591 PolarHBondContact O-N 3.26Å; W589-K591 VanDerWaalsContact C-N 3.34Å; W589-K591 PolarHBondContact O-N 3.17Å; K591-E595 PolarHBondContact O-N 3.11Å
592	Y	92.3	Very high	89	Confident	50 Å²	50	50.7 Å²	50.7	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-72.8	-34.8	179.1	-64.9	-69.9	0	0	0	112.7	D587 T588 W589 Q590 Y1155 F1164	D587-Y592 PolarHBondContact OD1-OH 3.35Å; T588-Y592 WeakPolarHBondContact O-CD2 3.45Å; W589-Y592 PolarHBondContact O-N 3.13Å; Q590-Y592 PolarHBondContact O-N 3Å; Y592-Y1155 WeakPolarHBondContact CB-OH 3.46Å; Y592-F1164 AromaticContact CD1-CE2 3.81Å; Y592-F1164 HydrophobicContact CD1-CE2 3.81Å; Y592-F1164 AromaticContact CD1-CZ 3.95Å; Y592-F1164 HydrophobicContact CD1-CZ 3.95Å; Y592-F1164 HydrophobicContact CE1-CE2 4.21Å; Y592-F1164 HydrophobicContact CE1-CZ 4.42Å
593	Y	94.3	Very high	89.4	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-45.8	172.2	176.2	-105.8	0	0	0	111.8	T570 N574 W589 Q590 G596 V597 Y1027 A1033 V1156	T570-Y593 HydrophobicContact CG2-CE2 4.19Å; N574-Y593 PolarHBondContact ND2-OH 2.83Å; N574-Y593 VanDerWaalsContact ND2-OH 3.13Å; W589-Y593 HydrophobicContact CZ3-CD1 4.29Å; W589-Y593 HydrophobicContact CZ3-CG 4.19Å; W589-Y593 WeakPolarHBondContact O-CB 3.47Å; W589-Y593 PolarHBondContact O-N 2.84Å; Q590-Y593 PolarHBondContact O-N 3.48Å; Y593-G596 CarbonylContact O-C 3.57Å; Y593-G596 VanDerWaalsContact O-CA 3.3Å; Y593-G596 WeakPolarHBondContact O-CA 3.46Å; Y593-G596 PolarHBondContact O-N 3.18Å; Y593-V597 HydrophobicContact CD1-CG2 3.74Å; Y593-V597 HydrophobicContact CE1-CG2 3.37Å; Y593-V597 HydrophobicContact CE2-CG2 4.2Å; Y593-V597 HydrophobicContact CG-CG2 4.3Å; Y593-V597 WeakPolarHBondContact O-CG2 3.34Å; Y593-V597 PolarHBondContact O-N 3.25Å; Y593-Y1027 HydrophobicContact CE1-CD2 4.43Å; Y593-Y1027 WeakPolarHBondContact CE1-O 3.47Å; Y593-Y1027 VanDerWaalsContact CZ-O 3.24Å; Y593-Y1027 PolarHBondContact OH-O 2.71Å; Y593-A1033 HydrophobicContact CD1-CB 4.43Å; Y593-A1033 HydrophobicContact CD2-CB 3.92Å; Y593-A1033 HydrophobicContact CE1-CB 4.13Å; Y593-A1033 HydrophobicContact CE2-CB 3.63Å; Y593-A1033 HydrophobicContact CG-CB 4.33Å; Y593-V1156 VanDerWaalsContact CD2-O 3.29Å; Y593-V1156 WeakPolarHBondContact CD2-O 3.26Å
594	L	92.5	Very high	89.8	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-69.7	-31.7	-176.6	-79.3	166.8	0	0	0	114.4	I582 I584 Q590 G596 V597 S598 Y1027 L1028	I582-L594 HydrophobicContact CB-CD1 4.19Å; I584-L594 HydrophobicContact CD1-CD1 3.6Å; I584-L594 HydrophobicContact CG1-CD1 3.98Å; Q590-L594 WeakPolarHBondContact O-CB 3.4Å; Q590-L594 WeakPolarHBondContact O-CG 3.45Å; Q590-L594 PolarHBondContact O-N 3.22Å; L594-G596 PolarHBondContact O-N 3.37Å; L594-V597 HydrophobicContact CD2-CB 4.29Å; L594-V597 HydrophobicContact CD2-CG2 4.36Å; L594-V597 PolarHBondContact O-N 2.82Å; L594-S598 PolarHBondContact O-N 2.94Å; L594-Y1027 HydrophobicContact CD2-CE2 4.26Å; L594-L1028 HydrophobicContact CD1-CD2 4.37Å; L594-L1028 HydrophobicContact CD2-CD2 3.86Å; L594-L1028 HydrophobicContact CG-CD2 4.41Å
595	E	90	Very high	90.1	Very high	71 Å²	71	45.7 Å²	45.7	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-55.1	-45	166.2	-176	172.4	-161.3	0	0	109.9	K591 S598 N599 P1161	K591-E595 PolarHBondContact O-N 3.11Å; E595-S598 PolarHBondContact O-OG 3.1Å; E595-N599 PolarHBondContact O-ND2 3.02Å; E595-N599 VanDerWaalsContact O-ND2 3.12Å; E595-P1161 WeakPolarHBondContact OE1-CD 3.28Å; E595-P1161 WeakPolarHBondContact OE1-CG 3.22Å
596	G	91.2	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-47.2	172.7	0	0	0	0	0	114.1	Y593 L594 S598 N599 T1158	Y593-G596 CarbonylContact O-C 3.57Å; Y593-G596 VanDerWaalsContact O-CA 3.3Å; Y593-G596 WeakPolarHBondContact O-CA 3.46Å; Y593-G596 PolarHBondContact O-N 3.18Å; L594-G596 PolarHBondContact O-N 3.37Å; G596-S598 PolarHBondContact O-N 3Å; G596-N599 WeakPolarHBondContact O-CB 3.49Å; G596-N599 PolarHBondContact O-N 2.85Å; G596-N599 PolarHBondContact O-ND2 2.76Å; G596-T1158 WeakPolarHBondContact CA-O 3.42Å; G596-T1158 WeakPolarHBondContact CA-OG1 3.45Å; G596-T1158 PolarHBondContact O-OG1 2.97Å
597	V	91.9	Very high	90.9	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-31.8	-178	173.8	0	0	0	0	112.7	R579 Y593 L594 N599 Y1027	R579-V597 HydrophobicContact CB-CG1 4.03Å; Y593-V597 HydrophobicContact CD1-CG2 3.74Å; Y593-V597 HydrophobicContact CE1-CG2 3.37Å; Y593-V597 HydrophobicContact CE2-CG2 4.2Å; Y593-V597 HydrophobicContact CG-CG2 4.3Å; Y593-V597 WeakPolarHBondContact O-CG2 3.34Å; Y593-V597 PolarHBondContact O-N 3.25Å; L594-V597 HydrophobicContact CD2-CB 4.29Å; L594-V597 HydrophobicContact CD2-CG2 4.36Å; L594-V597 PolarHBondContact O-N 2.82Å; V597-N599 PolarHBondContact O-N 3.02Å; V597-Y1027 HydrophobicContact CG1-CD2 4.1Å; V597-Y1027 HydrophobicContact CG1-CE2 4.03Å; V597-Y1027 HydrophobicContact CG2-CD2 4.39Å
598	S	89.3	Confident	91.2	Very high	22 Å²	22	31.1 Å²	31.1	15%	0.154	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	8.6	-179.6	71.7	0	0	0	0	115.9	L594 E595 G596 S665	L594-S598 PolarHBondContact O-N 2.94Å; E595-S598 PolarHBondContact O-OG 3.1Å; G596-S598 PolarHBondContact O-N 3Å; S598-S665 VanDerWaalsContact O-CA 3.22Å; S598-S665 WeakPolarHBondContact O-CA 3.39Å; S598-S665 WeakPolarHBondContact O-CB 3.42Å
599	N	91.3	Very high	91.3	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.059	16%	0.155	C	C	.	.			trans	-103.4	127.4	179	-71.1	-94.9	0	0	0	110.9	L575 E595 G596 V597 I663 A664 N1159	L575-N599 HydrophobicContact CD2-CB 4.21Å; L575-N599 VanDerWaalsContact CD2-O 3.32Å; L575-N599 WeakPolarHBondContact CD2-O 3.45Å; E595-N599 PolarHBondContact O-ND2 3.02Å; E595-N599 VanDerWaalsContact O-ND2 3.12Å; G596-N599 WeakPolarHBondContact O-CB 3.49Å; G596-N599 PolarHBondContact O-N 2.85Å; G596-N599 PolarHBondContact O-ND2 2.76Å; V597-N599 PolarHBondContact O-N 3.02Å; N599-I663 HydrophobicContact CB-CG2 3.61Å; N599-A664 CarbonylContact C-O 3.33Å; N599-A664 WeakPolarHBondContact CA-O 3.4Å; N599-N1159 PolarHBondContact OD1-ND2 3.25Å
600	E	89.1	Confident	91.4	Very high	15 Å²	15	29.9 Å²	29.9	7%	0.07	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	168.8	171.6	-42.2	99.9	152.1	0	0	112.7	M578 Y602 I663 A664	M578-E600 HydrophobicContact CE-CG 4.36Å; M578-E600 WeakPolarHBondContact CE-OE1 3.4Å; M578-E600 HydrophobicContact SD-CG 4.3Å; E600-Y602 HydrophobicContact CB-CD2 4.48Å; E600-Y602 HydrophobicContact CB-CE2 3.78Å; E600-Y602 VanDerWaalsContact CD-OH 3.23Å; E600-Y602 WeakPolarHBondContact O-CD2 3.34Å; E600-Y602 WeakPolarHBondContact OE2-CE2 3.4Å; E600-Y602 VanDerWaalsContact OE2-CZ 3.26Å; E600-Y602 PolarHBondContact OE2-OH 3.35Å; E600-I663 WeakPolarHBondContact O-CA 3.29Å; E600-A664 PolarHBondContact N-O 3.46Å; E600-A664 PolarHBondContact O-N 3.21Å
601	M	89.4	Confident	91.5	Very high	22 Å²	22	29.7 Å²	29.7	11%	0.108	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.2	178.4	-166.4	-176.2	-57.1	0	0	111.8	L575 F662 I1056 L1059 I1060	L575-M601 HydrophobicContact CB-CB 4.42Å; L575-M601 HydrophobicContact CB-CE 4.3Å; L575-M601 HydrophobicContact CD1-CE 4.16Å; L575-M601 PolarHBondContact O-N 2.82Å; M601-F662 WeakPolarHBondContact CA-O 3.32Å; M601-I1056 HydrophobicContact CB-CD1 3.91Å; M601-I1056 HydrophobicContact CG-CD1 3.57Å; M601-I1056 WeakPolarHBondContact O-CD1 3.46Å; M601-I1056 HydrophobicContact SD-CD1 3.68Å; M601-I1056 HydrophobicContact SD-CG2 4.39Å; M601-L1059 HydrophobicContact SD-CD2 3.53Å; M601-L1059 VanDerWaalsContact SD-CD2 3.53Å; M601-L1059 HydrophobicContact SD-CG 4.18Å; M601-I1060 HydrophobicContact CE-CG1 4.15Å; M601-I1060 HydrophobicContact SD-CG1 4.46Å
602	Y	88.9	Confident	91.5	Very high	29 Å²	29	28.8 Å²	28.8	11%	0.114	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.1	-174.4	-68.7	-80.3	0	0	0	113	E600 F661 F662 A664 A667 V670	E600-Y602 HydrophobicContact CB-CD2 4.48Å; E600-Y602 HydrophobicContact CB-CE2 3.78Å; E600-Y602 VanDerWaalsContact CD-OH 3.23Å; E600-Y602 WeakPolarHBondContact O-CD2 3.34Å; E600-Y602 WeakPolarHBondContact OE2-CE2 3.4Å; E600-Y602 VanDerWaalsContact OE2-CZ 3.26Å; E600-Y602 PolarHBondContact OE2-OH 3.35Å; Y602-F661 WeakPolarHBondContact O-CA 3.44Å; Y602-F662 PolarHBondContact N-O 2.94Å; Y602-F662 PolarHBondContact O-N 3.1Å; Y602-A664 HydrophobicContact CD2-CB 4.3Å; Y602-A664 WeakPolarHBondContact CE2-O 3.32Å; Y602-A667 HydrophobicContact CD1-CB 4.12Å; Y602-A667 HydrophobicContact CE1-CB 3.56Å; Y602-A667 PolarHBondContact OH-N 3.31Å; Y602-V670 HydrophobicContact CD2-CG2 3.87Å; Y602-V670 HydrophobicContact CG-CG2 3.85Å
603	T	90.3	Very high	91.6	Very high	25 Å²	25	29.3 Å²	29.3	15%	0.153	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.5	173.6	76.4	0	0	0	0	111.4	G660 F661 N1053 N1055 I1056	T603-G660 WeakPolarHBondContact CA-O 3.36Å; T603-F661 HydrophobicContact CG2-CD1 3.62Å; T603-F661 HydrophobicContact CG2-CE1 3.68Å; T603-N1053 PolarHBondContact OG1-OD1 2.94Å; T603-N1055 HydrophobicContact CG2-CB 4.42Å; T603-I1056 HydrophobicContact CG2-CD1 4.2Å
604	E	92.3	Very high	91.6	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.089	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	149.2	-179.2	-172.6	55	-101.4	0	0	112.1	G660 F662 V670 K671 F674	E604-G660 PolarHBondContact N-O 3.31Å; E604-G660 PolarHBondContact O-N 3.04Å; E604-F662 HydrophobicContact CB-CD2 4.42Å; E604-F662 HydrophobicContact CB-CE2 4.2Å; E604-V670 HydrophobicContact CB-CG1 3.68Å; E604-V670 HydrophobicContact CG-CG1 4.34Å; E604-K671 VanDerWaalsContact OE2-CD 3.23Å; E604-K671 WeakPolarHBondContact OE2-CD 3.31Å; E604-K671 WeakPolarHBondContact OE2-CE 3.13Å; E604-K671 IonicContact OE2-NZ 3.24Å; E604-K671 PolarHBondContact OE2-NZ 3.46Å; E604-F674 HydrophobicContact CG-CB 4.17Å
605	Y	93.1	Very high	91.7	Very high	108 Å²	108	30.1 Å²	30.1	42%	0.424	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.7	178.6	-74.6	-78	0	0	0	112	L659 F674	Y605-L659 HydrophobicContact CD1-CB 4.48Å; Y605-L659 HydrophobicContact CD1-CD1 4.2Å; Y605-L659 HydrophobicContact CD2-CD1 4.1Å; Y605-L659 HydrophobicContact CE1-CB 4.27Å; Y605-L659 HydrophobicContact CE1-CD1 4.1Å; Y605-L659 HydrophobicContact CE2-CD1 3.99Å; Y605-L659 HydrophobicContact CG-CD1 4.21Å; Y605-F674 WeakPolarHBondContact O-CA 3.5Å; Y605-F674 WeakPolarHBondContact O-CB 3.17Å; Y605-F674 WeakPolarHBondContact O-CD2 3.45Å
606	L	93.8	Very high	91.9	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-69.9	138.9	177.5	-64.3	-177.9	0	0	0	111.7	F610 M630 I633 I654 T658 F662	L606-F610 HydrophobicContact CB-CD2 4.25Å; L606-F610 HydrophobicContact CD2-CD2 4.39Å; L606-M630 HydrophobicContact CD1-SD 4.27Å; L606-M630 HydrophobicContact CD2-SD 3.96Å; L606-I633 HydrophobicContact CD1-CG2 4.29Å; L606-I654 HydrophobicContact CD1-CD1 4.26Å; L606-I654 HydrophobicContact CD1-CG1 4.42Å; L606-I654 HydrophobicContact CD1-CG2 3.69Å; L606-T658 PolarHBondContact N-O 3.26Å; L606-T658 VanDerWaalsContact N-O 3.08Å; L606-F662 HydrophobicContact CD2-CE2 4.31Å; L606-F662 HydrophobicContact CD2-CZ 3.71Å
607	S	93.1	Very high	92.1	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.049	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-58.8	148.1	172	174.9	0	0	0	0	112.4	A609 F610 A673 Y676	S607-A609 PolarHBondContact O-N 2.87Å; S607-A609 PolarHBondContact OG-N 2.91Å; S607-A609 VanDerWaalsContact OG-N 3.16Å; S607-F610 PolarHBondContact O-N 3.49Å; S607-A673 VanDerWaalsContact CB-O 3.22Å; S607-A673 WeakPolarHBondContact CB-O 3.39Å; S607-A673 PolarHBondContact N-O 3.36Å; S607-A673 VanDerWaalsContact N-O 3.08Å; S607-Y676 VanDerWaalsContact CB-O 3.28Å; S607-Y676 WeakPolarHBondContact CB-O 3.23Å; S607-Y676 PolarHBondContact OG-O 3.02Å
608	S	90.3	Very high	92.2	Very high	56 Å²	56	29.7 Å²	29.7	39%	0.392	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-56.4	-15.6	169.8	56.7	0	0	0	0	113.8	F610	S608-F610 VanDerWaalsContact C-N 3.25Å; S608-F610 PolarHBondContact O-N 3.25Å
609	A	90.7	Very high	92.5	Very high	36 Å²	36	28.7 Å²	28.7	30%	0.298	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-69.8	-16.8	173.2	0	0	0	0	0	114.3	S607 Y676	S607-A609 PolarHBondContact O-N 2.87Å; S607-A609 PolarHBondContact OG-N 2.91Å; S607-A609 VanDerWaalsContact OG-N 3.16Å; A609-Y676 HydrophobicContact CB-CD1 4.27Å
610	F	93.5	Very high	92.7	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-97.8	-9.2	179.8	-59.5	-57.4	0	0	0	113.9	L606 S607 S608 G612 L613 V618 L621 L626 I654 A673 Y676	L606-F610 HydrophobicContact CB-CD2 4.25Å; L606-F610 HydrophobicContact CD2-CD2 4.39Å; S607-F610 PolarHBondContact O-N 3.49Å; S608-F610 VanDerWaalsContact C-N 3.25Å; S608-F610 PolarHBondContact O-N 3.25Å; F610-G612 PolarHBondContact O-N 2.96Å; F610-L613 HydrophobicContact CD1-CD1 4.29Å; F610-L613 WeakPolarHBondContact O-CB 3.46Å; F610-L613 PolarHBondContact O-N 3.13Å; F610-L613 VanDerWaalsContact O-N 3.13Å; F610-V618 HydrophobicContact CB-CG1 4.26Å; F610-V618 HydrophobicContact CB-CG2 4.02Å; F610-V618 HydrophobicContact CD1-CB 4.49Å; F610-V618 HydrophobicContact CD1-CG1 3.82Å; F610-V618 HydrophobicContact CD1-CG2 4.06Å; F610-V618 HydrophobicContact CD2-CG1 4.39Å; F610-V618 HydrophobicContact CE1-CG1 4.21Å; F610-V618 HydrophobicContact CG-CG1 3.92Å; F610-V618 HydrophobicContact CG-CG2 4.32Å; F610-L621 HydrophobicContact CE1-CB 4.36Å; F610-L621 HydrophobicContact CE1-CD1 4.34Å; F610-L626 HydrophobicContact CZ-CD1 4.3Å; F610-I654 HydrophobicContact CB-CG2 4.48Å; F610-A673 WeakPolarHBondContact CE2-O 3.34Å; F610-Y676 AromaticContact CE1-CD1 3.71Å; F610-Y676 HydrophobicContact CE1-CD1 3.71Å; F610-Y676 HydrophobicContact CE1-CE1 4.14Å; F610-Y676 HydrophobicContact CE2-CD1 4.25Å; F610-Y676 AromaticContact CZ-CD1 3.48Å; F610-Y676 HydrophobicContact CZ-CD1 3.48Å; F610-Y676 VanDerWaalsContact CZ-CD1 3.48Å; F610-Y676 HydrophobicContact CZ-CE1 4.31Å; F610-Y676 AromaticContact CZ-CG 3.93Å; F610-Y676 HydrophobicContact CZ-CG 3.93Å
611	V	93.1	Very high	92.9	Very high	65 Å²	65	32.5 Å²	32.5	39%	0.394	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	131.5	-175.7	177.4	0	0	0	0	110.9	L613 I654 E656	V611-L613 VanDerWaalsContact C-N 3.3Å; V611-L613 PolarHBondContact O-N 2.79Å; V611-I654 WeakPolarHBondContact CA-O 3.37Å; V611-E656 HydrophobicContact CG1-CB 4.45Å; V611-E656 HydrophobicContact CG2-CB 4.02Å
612	G	91.2	Very high	93.1	Very high	47 Å²	47	31.4 Å²	31.4	49%	0.485	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-10.3	-176	0	0	0	0	0	115.1	F610 I654	F610-G612 PolarHBondContact O-N 2.96Å; G612-I654 PolarHBondContact N-O 3.01Å
613	L	94.1	Very high	93.4	Very high	61 Å²	61	30.6 Å²	30.6	32%	0.319	18%	0.181	S	C	.	.	S	Bend	trans	-76.1	157.7	172.2	-58	-176.5	0	0	0	111.4	F610 V611 V618 L621 K653 I654	F610-L613 HydrophobicContact CD1-CD1 4.29Å; F610-L613 WeakPolarHBondContact O-CB 3.46Å; F610-L613 PolarHBondContact O-N 3.13Å; F610-L613 VanDerWaalsContact O-N 3.13Å; V611-L613 VanDerWaalsContact C-N 3.3Å; V611-L613 PolarHBondContact O-N 2.79Å; L613-V618 HydrophobicContact CB-CG2 3.69Å; L613-V618 HydrophobicContact CD1-CG2 4.11Å; L613-L621 HydrophobicContact CD1-CD1 4.18Å; L613-K653 VanDerWaalsContact O-CA 3.31Å; L613-K653 WeakPolarHBondContact O-CA 3.27Å; L613-I654 PolarHBondContact O-N 2.85Å
614	S	94.7	Very high	93.5	Very high	22 Å²	22	32.4 Å²	32.4	15%	0.154	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-75.4	146.1	172	-10	0	0	0	0	110.9	T617 V618 K653	S614-T617 WeakPolarHBondContact O-CB 3.49Å; S614-T617 PolarHBondContact O-N 2.78Å; S614-T617 PolarHBondContact OG-OG1 2.73Å; S614-T617 VanDerWaalsContact OG-OG1 3.14Å; S614-V618 PolarHBondContact O-N 2.99Å; S614-V618 VanDerWaalsContact O-N 3.13Å; S614-K653 VanDerWaalsContact CB-NZ 3.34Å; S614-K653 PolarHBondContact OG-NZ 3.35Å
615	F	94.4	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-52.2	-49.6	177.8	173.7	-85	0	0	0	113.6	T617 V618 C619 M630 I633 N647 P648 I654	F615-T617 VanDerWaalsContact C-N 3.28Å; F615-T617 PolarHBondContact O-N 3.04Å; F615-V618 PolarHBondContact O-N 3.44Å; F615-C619 WeakPolarHBondContact CE1-SG 3.25Å; F615-C619 WeakPolarHBondContact CZ-SG 3.38Å; F615-C619 PolarHBondContact O-N 3.15Å; F615-M630 HydrophobicContact CD2-CE 3.74Å; F615-M630 HydrophobicContact CE2-CE 3.62Å; F615-M630 HydrophobicContact CE2-CG 4.33Å; F615-M630 HydrophobicContact CE2-SD 4.42Å; F615-M630 HydrophobicContact CG-CE 4.5Å; F615-M630 HydrophobicContact CZ-CE 4.27Å; F615-I633 HydrophobicContact CD2-CD1 4.27Å; F615-I633 HydrophobicContact CD2-CG1 4.15Å; F615-I633 HydrophobicContact CD2-CG2 4Å; F615-I633 HydrophobicContact CE2-CG1 4.4Å; F615-I633 HydrophobicContact CE2-CG2 4.03Å; F615-N647 HydrophobicContact CE1-CB 4.29Å; F615-N647 WeakPolarHBondContact CE1-OD1 3.23Å; F615-P648 HydrophobicContact CB-CG 3.98Å; F615-P648 HydrophobicContact CD1-CG 4.11Å; F615-P648 VanDerWaalsContact CD1-O 3.31Å; F615-P648 WeakPolarHBondContact CD1-O 3.49Å; F615-P648 HydrophobicContact CD2-CG 3.76Å; F615-P648 HydrophobicContact CE2-CG 4.26Å; F615-P648 HydrophobicContact CG-CG 3.68Å; F615-I654 HydrophobicContact CB-CD1 4.34Å; F615-I654 HydrophobicContact CD2-CD1 4.47Å
616	P	95.3	Very high	93.3	Very high	12 Å²	12	29.5 Å²	29.5	8%	0.078	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-36.1	176	-28.3	36.6	0	0	0	114.4	V618 C619 E620 N650 L1127	P616-V618 VanDerWaalsContact C-N 3.3Å; P616-V618 PolarHBondContact O-N 3.09Å; P616-C619 PolarHBondContact O-N 2.87Å; P616-E620 PolarHBondContact O-N 3.42Å; P616-N650 HydrophobicContact CG-CB 4.49Å; P616-L1127 HydrophobicContact CB-CD1 3.91Å; P616-L1127 HydrophobicContact CB-CG 4.06Å; P616-L1127 HydrophobicContact CG-CD1 4.45Å
617	T	94.2	Very high	93.3	Very high	55 Å²	55	35.2 Å²	35.2	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-67.6	-31.4	177.1	-42.3	0	0	0	0	111.9	S614 F615 L621	S614-T617 WeakPolarHBondContact O-CB 3.49Å; S614-T617 PolarHBondContact O-N 2.78Å; S614-T617 PolarHBondContact OG-OG1 2.73Å; S614-T617 VanDerWaalsContact OG-OG1 3.14Å; F615-T617 VanDerWaalsContact C-N 3.28Å; F615-T617 PolarHBondContact O-N 3.04Å; T617-L621 WeakPolarHBondContact O-CG 3.47Å; T617-L621 PolarHBondContact O-N 2.94Å
618	V	94.8	Very high	93.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-79.9	-38.8	175.7	-179.6	0	0	0	0	110.9	F610 L613 S614 F615 P616 E620 L621 C622 M630 I654	F610-V618 HydrophobicContact CB-CG1 4.26Å; F610-V618 HydrophobicContact CB-CG2 4.02Å; F610-V618 HydrophobicContact CD1-CB 4.49Å; F610-V618 HydrophobicContact CD1-CG1 3.82Å; F610-V618 HydrophobicContact CD1-CG2 4.06Å; F610-V618 HydrophobicContact CD2-CG1 4.39Å; F610-V618 HydrophobicContact CE1-CG1 4.21Å; F610-V618 HydrophobicContact CG-CG1 3.92Å; F610-V618 HydrophobicContact CG-CG2 4.32Å; L613-V618 HydrophobicContact CB-CG2 3.69Å; L613-V618 HydrophobicContact CD1-CG2 4.11Å; S614-V618 PolarHBondContact O-N 2.99Å; S614-V618 VanDerWaalsContact O-N 3.13Å; F615-V618 PolarHBondContact O-N 3.44Å; P616-V618 VanDerWaalsContact C-N 3.3Å; P616-V618 PolarHBondContact O-N 3.09Å; V618-E620 PolarHBondContact O-N 2.93Å; V618-L621 PolarHBondContact O-N 3.14Å; V618-C622 WeakPolarHBondContact O-CB 3.43Å; V618-C622 PolarHBondContact O-N 3.03Å; V618-C622 PolarHBondContact O-SG 2.98Å; V618-M630 HydrophobicContact CB-CE 3.86Å; V618-M630 HydrophobicContact CG1-CE 3.59Å; V618-M630 HydrophobicContact CG1-SD 4.27Å; V618-I654 HydrophobicContact CG2-CG1 4Å
619	C	95.4	Very high	93.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-44.4	171.7	-71.7	0	0	0	0	112.3	F615 P616 C622 F623 M630 L1127 L1133	F615-C619 WeakPolarHBondContact CE1-SG 3.25Å; F615-C619 WeakPolarHBondContact CZ-SG 3.38Å; F615-C619 PolarHBondContact O-N 3.15Å; P616-C619 PolarHBondContact O-N 2.87Å; C619-C622 PolarHBondContact O-N 2.82Å; C619-F623 WeakPolarHBondContact O-CB 3.32Å; C619-F623 PolarHBondContact O-N 2.61Å; C619-M630 WeakPolarHBondContact SG-CE 3.36Å; C619-M630 PolarHBondContact SG-O 2.9Å; C619-L1127 HydrophobicContact CB-CD2 3.7Å; C619-L1133 HydrophobicContact CB-CD1 4.23Å
620	E	94.9	Very high	93.9	Very high	54 Å²	54	30.5 Å²	30.5	25%	0.252	17%	0.171	S	C	.	.	H	α-helix	trans	-57.3	-50.5	173.6	-179.3	-176.1	175	0	0	111.7	P616 V618 C622 F623 V624 K1128	P616-E620 PolarHBondContact O-N 3.42Å; V618-E620 PolarHBondContact O-N 2.93Å; E620-C622 PolarHBondContact O-N 2.72Å; E620-F623 PolarHBondContact O-N 2.8Å; E620-V624 HydrophobicContact CG-CG2 4.31Å; E620-V624 WeakPolarHBondContact O-CB 3.39Å; E620-V624 VanDerWaalsContact O-CG2 3.29Å; E620-V624 WeakPolarHBondContact O-CG2 3.48Å; E620-V624 PolarHBondContact O-N 2.8Å; E620-K1128 VanDerWaalsContact CD-NZ 3.32Å; E620-K1128 WeakPolarHBondContact OE1-CE 3.18Å; E620-K1128 IonicContact OE1-NZ 3.84Å; E620-K1128 PolarHBondContact OE1-NZ 2.87Å; E620-K1128 WeakPolarHBondContact OE2-CE 3.45Å; E620-K1128 IonicContact OE2-NZ 2.66Å
621	L	92.8	Very high	94	Very high	52 Å²	52	31.5 Å²	31.5	27%	0.272	18%	0.176	S	C	.	.	H	α-helix	trans	-63.6	-41.9	179.3	-71.3	170.1	0	0	0	112.2	F610 L613 T617 V618 K625 L626	F610-L621 HydrophobicContact CE1-CB 4.36Å; F610-L621 HydrophobicContact CE1-CD1 4.34Å; L613-L621 HydrophobicContact CD1-CD1 4.18Å; T617-L621 WeakPolarHBondContact O-CG 3.47Å; T617-L621 PolarHBondContact O-N 2.94Å; V618-L621 PolarHBondContact O-N 3.14Å; L621-K625 WeakPolarHBondContact O-CA 3.29Å; L621-K625 VanDerWaalsContact O-CB 3.29Å; L621-K625 WeakPolarHBondContact O-CB 3.4Å; L621-K625 PolarHBondContact O-N 3.39Å; L621-L626 PolarHBondContact O-N 2.77Å
622	C	94.4	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-63.3	-44.7	176.5	-72.4	0	0	0	0	111.6	V618 C619 E620 L626 K627 L628 F662	V618-C622 WeakPolarHBondContact O-CB 3.43Å; V618-C622 PolarHBondContact O-N 3.03Å; V618-C622 PolarHBondContact O-SG 2.98Å; C619-C622 PolarHBondContact O-N 2.82Å; E620-C622 PolarHBondContact O-N 2.72Å; C622-L626 CarbonylContact O-C 3.6Å; C622-L626 VanDerWaalsContact O-CA 3.31Å; C622-L626 WeakPolarHBondContact O-CA 3.29Å; C622-L626 VanDerWaalsContact O-CB 3.27Å; C622-L626 WeakPolarHBondContact O-CB 3.34Å; C622-L626 PolarHBondContact O-N 3.4Å; C622-K627 PolarHBondContact O-N 3.11Å; C622-L628 CarbonylContact C-O 3.55Å; C622-L628 HydrophobicContact CB-CB 4.41Å; C622-L628 WeakPolarHBondContact CB-O 3.42Å; C622-L628 PolarHBondContact O-N 2.6Å; C622-F662 HydrophobicContact CB-CE1 4.46Å
623	F	94.6	Very high	94.1	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.048	13%	0.134	C	C	.	.	I	π-helix	trans	-69.3	-51.2	-179.4	-165.6	-99.5	0	0	0	111.7	C619 E620 K627 L628 L629 Y1119 F1123 Y1162	C619-F623 WeakPolarHBondContact O-CB 3.32Å; C619-F623 PolarHBondContact O-N 2.61Å; E620-F623 PolarHBondContact O-N 2.8Å; F623-K627 WeakPolarHBondContact O-CA 3.33Å; F623-K627 PolarHBondContact O-N 2.7Å; F623-L628 PolarHBondContact N-O 3.14Å; F623-L629 HydrophobicContact CD2-CB 4.37Å; F623-L629 HydrophobicContact CD2-CD1 4.38Å; F623-Y1119 HydrophobicContact CE2-CE1 4.36Å; F623-Y1119 HydrophobicContact CZ-CD1 4.02Å; F623-Y1119 AromaticContact CZ-CE1 3.81Å; F623-Y1119 HydrophobicContact CZ-CE1 3.81Å; F623-F1123 HydrophobicContact CB-CD1 4.16Å; F623-F1123 HydrophobicContact CB-CE1 3.53Å; F623-F1123 HydrophobicContact CB-CZ 3.95Å; F623-F1123 AromaticContact CD1-CD1 3.66Å; F623-F1123 HydrophobicContact CD1-CD1 3.66Å; F623-F1123 AromaticContact CD1-CE1 3.95Å; F623-F1123 HydrophobicContact CD1-CE1 3.95Å; F623-F1123 HydrophobicContact CD1-CG 4.13Å; F623-F1123 HydrophobicContact CD2-CE1 4.34Å; F623-F1123 HydrophobicContact CD2-CE2 4.43Å; F623-F1123 HydrophobicContact CD2-CZ 4.26Å; F623-F1123 HydrophobicContact CE1-CB 4.39Å; F623-F1123 HydrophobicContact CE1-CD1 4.23Å; F623-F1123 HydrophobicContact CE1-CG 4.27Å; F623-F1123 AromaticContact CG-CD1 3.87Å; F623-F1123 HydrophobicContact CG-CD1 3.87Å; F623-F1123 AromaticContact CG-CE1 3.67Å; F623-F1123 HydrophobicContact CG-CE1 3.67Å; F623-F1123 HydrophobicContact CG-CG 4.4Å; F623-F1123 HydrophobicContact CG-CZ 4.03Å; F623-Y1162 AromaticContact CD1-CD2 3.96Å; F623-Y1162 HydrophobicContact CD1-CD2 3.96Å; F623-Y1162 HydrophobicContact CD1-CE2 4.45Å; F623-Y1162 AromaticContact CE1-CD2 3.7Å; F623-Y1162 HydrophobicContact CE1-CD2 3.7Å; F623-Y1162 HydrophobicContact CE1-CE2 4.41Å
624	V	92.1	Very high	94	Very high	64 Å²	64	24.1 Å²	24.1	39%	0.388	12%	0.123	S	C	.	.	I	π-helix	trans	-73.9	-43.9	-174.6	-179.8	0	0	0	0	112.8	E620 Y1162	E620-V624 HydrophobicContact CG-CG2 4.31Å; E620-V624 WeakPolarHBondContact O-CB 3.39Å; E620-V624 VanDerWaalsContact O-CG2 3.29Å; E620-V624 WeakPolarHBondContact O-CG2 3.48Å; E620-V624 PolarHBondContact O-N 2.8Å; V624-Y1162 HydrophobicContact CG2-CE2 4Å
625	K	90.5	Very high	93.5	Very high	64 Å²	64	26.6 Å²	26.6	28%	0.278	13%	0.13	S	C	.	.	I	π-helix	trans	-97.1	-33.3	-174.5	-72.1	-81.3	179.7	169.4	0	114	L621 D682 V684	L621-K625 WeakPolarHBondContact O-CA 3.29Å; L621-K625 VanDerWaalsContact O-CB 3.29Å; L621-K625 WeakPolarHBondContact O-CB 3.4Å; L621-K625 PolarHBondContact O-N 3.39Å; K625-D682 PolarHBondContact NZ-O 3.25Å; K625-V684 PolarHBondContact NZ-O 3.17Å
626	L	91.6	Very high	92.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.148	C	C	.	.	I	π-helix	trans	-102.5	-11.4	-177.2	-49.4	-175.6	0	0	0	113.5	F610 L621 C622 L628 R672 A673 Y676 I690	F610-L626 HydrophobicContact CZ-CD1 4.3Å; L621-L626 PolarHBondContact O-N 2.77Å; C622-L626 CarbonylContact O-C 3.6Å; C622-L626 VanDerWaalsContact O-CA 3.31Å; C622-L626 WeakPolarHBondContact O-CA 3.29Å; C622-L626 VanDerWaalsContact O-CB 3.27Å; C622-L626 WeakPolarHBondContact O-CB 3.34Å; C622-L626 PolarHBondContact O-N 3.4Å; L626-L628 VanDerWaalsContact C-N 3.27Å; L626-L628 HydrophobicContact CB-CB 4.32Å; L626-L628 HydrophobicContact CB-CD1 3.89Å; L626-L628 HydrophobicContact CB-CG 3.91Å; L626-L628 HydrophobicContact CD1-CD1 4.16Å; L626-L628 PolarHBondContact O-N 3.22Å; L626-R672 HydrophobicContact CD2-CB 4.4Å; L626-R672 VanDerWaalsContact O-CZ 3.3Å; L626-R672 PolarHBondContact O-NE 2.75Å; L626-R672 PolarHBondContact O-NH2 3.29Å; L626-A673 HydrophobicContact CD1-CB 4.4Å; L626-Y676 HydrophobicContact CD2-CD2 3.73Å; L626-Y676 HydrophobicContact CD2-CE2 4.32Å; L626-Y676 HydrophobicContact CD2-CG 4.33Å; L626-I690 HydrophobicContact CD2-CD1 3.49Å; L626-I690 VanDerWaalsContact CD2-CD1 3.49Å; L626-I690 HydrophobicContact CD2-CG2 4.39Å
627	K	93.8	Very high	91.4	Very high	130 Å²	130	32.2 Å²	32.2	57%	0.565	16%	0.158	S	C	*	.			trans	52.1	45.3	-169	-57	-167	176.5	-164.1	0	112.2	C622 F623 P687	C622-K627 PolarHBondContact O-N 3.11Å; F623-K627 WeakPolarHBondContact O-CA 3.33Å; F623-K627 PolarHBondContact O-N 2.7Å; K627-P687 HydrophobicContact CD-CG 4.36Å; K627-P687 HydrophobicContact CG-CG 4.39Å
628	L	94.8	Very high	89.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.			trans	-126.1	126.5	178.6	-61.8	176.4	0	0	0	110.2	C622 F623 L626 M630 F662 A664 E669 V670 A673	C622-L628 CarbonylContact C-O 3.55Å; C622-L628 HydrophobicContact CB-CB 4.41Å; C622-L628 WeakPolarHBondContact CB-O 3.42Å; C622-L628 PolarHBondContact O-N 2.6Å; F623-L628 PolarHBondContact N-O 3.14Å; L626-L628 VanDerWaalsContact C-N 3.27Å; L626-L628 HydrophobicContact CB-CB 4.32Å; L626-L628 HydrophobicContact CB-CD1 3.89Å; L626-L628 HydrophobicContact CB-CG 3.91Å; L626-L628 HydrophobicContact CD1-CD1 4.16Å; L626-L628 PolarHBondContact O-N 3.22Å; L628-M630 PolarHBondContact O-N 3.48Å; L628-F662 HydrophobicContact CB-CD1 3.9Å; L628-F662 HydrophobicContact CB-CE1 4.28Å; L628-F662 HydrophobicContact CD1-CD1 4.45Å; L628-F662 HydrophobicContact CD1-CE1 4.43Å; L628-A664 HydrophobicContact CD2-CB 3.73Å; L628-E669 HydrophobicContact CD2-CB 4.38Å; L628-V670 HydrophobicContact CD2-CG2 4.2Å; L628-A673 HydrophobicContact CD1-CB 4.15Å
629	L	96.3	Very high	88	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.5	178	174.3	60.7	0	0	0	110.1	F623 I631 F662 I663 F1123 L1133 F1135 N1159	F623-L629 HydrophobicContact CD2-CB 4.37Å; F623-L629 HydrophobicContact CD2-CD1 4.38Å; L629-I631 HydrophobicContact CG-CG1 4.24Å; L629-F662 CarbonylContact O-C 3.58Å; L629-F662 VanDerWaalsContact O-CA 3.29Å; L629-F662 WeakPolarHBondContact O-CA 3.21Å; L629-I663 HydrophobicContact CB-CB 4.35Å; L629-I663 HydrophobicContact CD2-CB 4.37Å; L629-I663 HydrophobicContact CD2-CD1 4.28Å; L629-I663 PolarHBondContact N-O 3.39Å; L629-I663 PolarHBondContact O-N 2.88Å; L629-F1123 HydrophobicContact CD1-CE2 3.6Å; L629-F1123 HydrophobicContact CD1-CZ 4.1Å; L629-L1133 HydrophobicContact CD1-CD1 4.39Å; L629-L1133 HydrophobicContact CD1-CD2 4.48Å; L629-L1133 HydrophobicContact CD1-CG 4.46Å; L629-F1135 HydrophobicContact CD2-CB 3.82Å; L629-N1159 VanDerWaalsContact CB-OD1 3.25Å; L629-N1159 WeakPolarHBondContact CB-OD1 3.44Å; L629-N1159 HydrophobicContact CD2-CB 4.04Å; L629-N1159 WeakPolarHBondContact CD2-OD1 3.31Å
630	M	95.8	Very high	86	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.6	178.5	-169.3	176.6	64.7	0	0	111	L606 F615 V618 C619 L628 I633 F661 F662 L1133	L606-M630 HydrophobicContact CD1-SD 4.27Å; L606-M630 HydrophobicContact CD2-SD 3.96Å; F615-M630 HydrophobicContact CD2-CE 3.74Å; F615-M630 HydrophobicContact CE2-CE 3.62Å; F615-M630 HydrophobicContact CE2-CG 4.33Å; F615-M630 HydrophobicContact CE2-SD 4.42Å; F615-M630 HydrophobicContact CG-CE 4.5Å; F615-M630 HydrophobicContact CZ-CE 4.27Å; V618-M630 HydrophobicContact CB-CE 3.86Å; V618-M630 HydrophobicContact CG1-CE 3.59Å; V618-M630 HydrophobicContact CG1-SD 4.27Å; C619-M630 WeakPolarHBondContact SG-CE 3.36Å; C619-M630 PolarHBondContact SG-O 2.9Å; L628-M630 PolarHBondContact O-N 3.48Å; M630-I633 HydrophobicContact SD-CG2 4.34Å; M630-F661 WeakPolarHBondContact CA-O 3.49Å; M630-F662 HydrophobicContact CB-CD1 3.78Å; M630-F662 HydrophobicContact CB-CE1 3.64Å; M630-F662 HydrophobicContact CB-CZ 4.46Å; M630-F662 HydrophobicContact CG-CD1 4.12Å; M630-F662 HydrophobicContact CG-CE1 3.8Å; M630-F662 HydrophobicContact CG-CZ 4.14Å; M630-F662 HydrophobicContact SD-CE1 4.06Å; M630-F662 HydrophobicContact SD-CZ 4Å; M630-L1133 WeakPolarHBondContact O-CD2 3.01Å
631	I	94.7	Very high	84.6	Confident	21 Å²	21	53 Å²	53	11%	0.108	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-38.7	-173.4	-67.7	-171.9	0	0	0	113.2	L629 I646 N647 F661 I663 L1133 F1135 L1175	L629-I631 HydrophobicContact CG-CG1 4.24Å; I631-I646 HydrophobicContact CG2-CG2 4.33Å; I631-N647 PolarHBondContact O-N 3.05Å; I631-F661 PolarHBondContact N-O 3.47Å; I631-I663 HydrophobicContact CD1-CD1 3.36Å; I631-I663 HydrophobicContact CD1-CG1 3.78Å; I631-L1133 HydrophobicContact CB-CD2 4.29Å; I631-L1133 HydrophobicContact CG1-CD2 3.92Å; I631-F1135 HydrophobicContact CD1-CB 4.32Å; I631-L1175 HydrophobicContact CG2-CD1 4.05Å
632	A	93.9	Very high	83.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	166	-175.3	0	0	0	0	0	111.7	I644 L645 I646 F661 L1059	A632-I644 HydrophobicContact CB-CG2 4.05Å; A632-L645 VanDerWaalsContact CA-O 3.24Å; A632-L645 WeakPolarHBondContact CA-O 3.4Å; A632-L645 WeakPolarHBondContact CB-O 3.41Å; A632-I646 HydrophobicContact CB-CG1 4.16Å; A632-F661 HydrophobicContact CB-CB 4.03Å; A632-F661 HydrophobicContact CB-CD2 3.91Å; A632-F661 HydrophobicContact CB-CG 4.18Å; A632-F661 PolarHBondContact O-N 2.83Å; A632-L1059 HydrophobicContact CB-CD1 3.91Å; A632-L1059 HydrophobicContact CB-CD2 4.47Å
633	I	93.6	Very high	82.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.5	170.5	49.3	163.7	0	0	0	111	L606 F615 M630 L645 P648 L652 I654 L659	L606-I633 HydrophobicContact CD1-CG2 4.29Å; F615-I633 HydrophobicContact CD2-CD1 4.27Å; F615-I633 HydrophobicContact CD2-CG1 4.15Å; F615-I633 HydrophobicContact CD2-CG2 4Å; F615-I633 HydrophobicContact CE2-CG1 4.4Å; F615-I633 HydrophobicContact CE2-CG2 4.03Å; M630-I633 HydrophobicContact SD-CG2 4.34Å; I633-L645 PolarHBondContact N-O 2.86Å; I633-L645 PolarHBondContact O-N 3.19Å; I633-P648 HydrophobicContact CD1-CG 3.91Å; I633-P648 HydrophobicContact CG1-CG 3.89Å; I633-L652 HydrophobicContact CD1-CD2 3.55Å; I633-I654 HydrophobicContact CD1-CD1 3.85Å; I633-I654 HydrophobicContact CG2-CD1 4.26Å; I633-L659 CarbonylContact C-O 3.59Å; I633-L659 WeakPolarHBondContact CA-O 3.33Å
634	E	90.8	Very high	82.6	Confident	18 Å²	18	58.2 Å²	58.2	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.3	164.5	-173.5	-152.7	-174	0	0	109.7	K636 S642 L659 F661	E634-K636 WeakPolarHBondContact OE1-CE 3.41Å; E634-K636 IonicContact OE1-NZ 2.61Å; E634-K636 PolarHBondContact OE1-NZ 2.88Å; E634-K636 IonicContact OE2-NZ 2.82Å; E634-K636 PolarHBondContact OE2-NZ 3.03Å; E634-S642 VanDerWaalsContact OE1-CB 3.24Å; E634-S642 WeakPolarHBondContact OE1-CB 3.44Å; E634-S642 PolarHBondContact OE1-OG 3.26Å; E634-L659 HydrophobicContact CB-CB 3.83Å; E634-L659 PolarHBondContact N-O 3.05Å; E634-F661 HydrophobicContact CB-CE2 4.46Å
635	Y	84.1	Confident	82.5	Confident	74 Å²	74	57.9 Å²	57.9	29%	0.29	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.2	174.3	-175.3	-96.3	0	0	0	110.8	S642 R643 L645 L652 Q655	Y635-S642 WeakPolarHBondContact O-CA 3.31Å; Y635-R643 PolarHBondContact N-O 3.44Å; Y635-R643 PolarHBondContact O-N 3.21Å; Y635-L645 HydrophobicContact CD1-CD1 4.39Å; Y635-L645 HydrophobicContact CD2-CD1 4.48Å; Y635-L645 HydrophobicContact CG-CD1 3.91Å; Y635-L652 HydrophobicContact CD2-CD1 3.92Å; Y635-L652 HydrophobicContact CD2-CD2 4.41Å; Y635-L652 HydrophobicContact CD2-CG 4.4Å; Y635-L652 HydrophobicContact CE2-CD1 4.19Å; Y635-L652 HydrophobicContact CE2-CG 4.41Å; Y635-L652 HydrophobicContact CG-CD1 4.5Å; Y635-Q655 VanDerWaalsContact CE2-NE2 3.32Å
636	K	80.1	Confident	82.6	Confident	88 Å²	88	56 Å²	56	38%	0.383	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.9	179.1	-77.6	169.7	164.8	114.2	0	110.1	E634 S642	E634-K636 WeakPolarHBondContact OE1-CE 3.41Å; E634-K636 IonicContact OE1-NZ 2.61Å; E634-K636 PolarHBondContact OE1-NZ 2.88Å; E634-K636 IonicContact OE2-NZ 2.82Å; E634-K636 PolarHBondContact OE2-NZ 3.03Å; K636-S642 WeakPolarHBondContact CG-OG 3.46Å
637	S	65.4	Low	82.7	Confident	42 Å²	42	56 Å²	56	29%	0.294	28%	0.277	S	S	.	.			trans	-74.8	161.3	179.5	-173.2	0	0	0	0	112.1	N639 R640 E641	S637-N639 PolarHBondContact O-N 3.19Å; S637-N639 VanDerWaalsContact O-N 3.14Å; S637-R640 PolarHBondContact O-N 3.3Å; S637-E641 PolarHBondContact N-O 3.24Å
638	A	61.9	Low	82.6	Confident	100 Å²	100	50.4 Å²	50.4	83%	0.826	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.4	175	0	0	0	0	0	112.7	R640	A638-R640 PolarHBondContact O-N 2.99Å
639	N	57.6	Low	82.2	Confident	129 Å²	129	50.8 Å²	50.8	69%	0.69	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	5.6	176.2	-63.5	5.4	0	0	0	113.7	S637 E641	S637-N639 PolarHBondContact O-N 3.19Å; S637-N639 VanDerWaalsContact O-N 3.14Å; N639-E641 PolarHBondContact O-N 3.43Å
640	R	53.3	Low	81.8	Confident	232 Å²	232	55.1 Å²	55.1	88%	0.875	28%	0.282	S	S	*	.	S	Bend	trans	66.3	11.1	-176.7	-52.6	-177.8	179.5	179.4	1.7	116.2	S637 A638	S637-R640 PolarHBondContact O-N 3.3Å; A638-R640 PolarHBondContact O-N 2.99Å
641	E	64.8	Low	81.3	Confident	84 Å²	84	61.2 Å²	61.2	39%	0.393	31%	0.31	S	S	.	.			trans	-80.1	128.9	167.8	-69.3	172.5	-176.8	0	0	110.8	S637 N639 R643	S637-E641 PolarHBondContact N-O 3.24Å; N639-E641 PolarHBondContact O-N 3.43Å; E641-R643 IonicContact OE2-CZ 3.43Å; E641-R643 IonicContact OE2-NE 2.67Å; E641-R643 PolarHBondContact OE2-NE 2.75Å; E641-R643 IonicContact OE2-NH2 2.69Å; E641-R643 PolarHBondContact OE2-NH2 3.04Å
642	S	72.3	Confident	81	Confident	60 Å²	60	61 Å²	61	42%	0.42	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.5	163.1	-66.9	0	0	0	0	109.6	E634 Y635 K636	E634-S642 VanDerWaalsContact OE1-CB 3.24Å; E634-S642 WeakPolarHBondContact OE1-CB 3.44Å; E634-S642 PolarHBondContact OE1-OG 3.26Å; Y635-S642 WeakPolarHBondContact O-CA 3.31Å; K636-S642 WeakPolarHBondContact CG-OG 3.46Å
643	R	79.6	Confident	80.8	Confident	92 Å²	92	65.5 Å²	65.5	35%	0.347	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.9	171.9	-60.5	-175.4	-177.6	-138	-6.3	108.4	Y635 E641 E1071	Y635-R643 PolarHBondContact N-O 3.44Å; Y635-R643 PolarHBondContact O-N 3.21Å; E641-R643 IonicContact OE2-CZ 3.43Å; E641-R643 IonicContact OE2-NE 2.67Å; E641-R643 PolarHBondContact OE2-NE 2.75Å; E641-R643 IonicContact OE2-NH2 2.69Å; E641-R643 PolarHBondContact OE2-NH2 3.04Å; R643-E1071 IonicContact CZ-OE1 3.06Å; R643-E1071 IonicContact NH1-OE1 3.52Å; R643-E1071 PolarHBondContact NH1-OE1 2.89Å; R643-E1071 IonicContact NH2-OE1 3.63Å; R643-E1071 PolarHBondContact NH2-OE1 3.38Å
644	I	88.7	Confident	80.8	Confident	22 Å²	22	65.6 Å²	65.6	11%	0.113	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.7	175.6	-59.8	179.7	0	0	0	108.1	A632 F661 T1058 L1059	A632-I644 HydrophobicContact CB-CG2 4.05Å; I644-F661 HydrophobicContact CD1-CE1 4.21Å; I644-F661 HydrophobicContact CD1-CE2 4.28Å; I644-F661 HydrophobicContact CD1-CZ 3.6Å; I644-F661 HydrophobicContact CG1-CE2 4.23Å; I644-F661 HydrophobicContact CG1-CZ 4Å; I644-F661 HydrophobicContact CG2-CD2 4.49Å; I644-F661 HydrophobicContact CG2-CE2 4.01Å; I644-F661 HydrophobicContact CG2-CZ 4.27Å; I644-T1058 HydrophobicContact CD1-CG2 3.63Å; I644-T1058 HydrophobicContact CG1-CG2 4.42Å; I644-L1059 HydrophobicContact CD1-CB 4.19Å; I644-L1059 HydrophobicContact CG2-CB 4.47Å; I644-L1059 HydrophobicContact CG2-CD1 3.92Å
645	L	88.9	Confident	80.8	Confident	56 Å²	56	68.5 Å²	68.5	29%	0.293	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.9	178.2	-60.8	-178.4	0	0	0	109.7	A632 I633 Y635 P648 L652	A632-L645 VanDerWaalsContact CA-O 3.24Å; A632-L645 WeakPolarHBondContact CA-O 3.4Å; A632-L645 WeakPolarHBondContact CB-O 3.41Å; I633-L645 PolarHBondContact N-O 2.86Å; I633-L645 PolarHBondContact O-N 3.19Å; Y635-L645 HydrophobicContact CD1-CD1 4.39Å; Y635-L645 HydrophobicContact CD2-CD1 4.48Å; Y635-L645 HydrophobicContact CG-CD1 3.91Å; L645-P648 HydrophobicContact CB-CB 4.28Å; L645-P648 HydrophobicContact CB-CG 4.23Å; L645-L652 HydrophobicContact CD1-CD1 3.5Å; L645-L652 VanDerWaalsContact CD1-CD1 3.5Å
646	I	92.1	Very high	81	Confident	26 Å²	26	71.7 Å²	71.7	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.9	-178.9	-60.4	173.6	0	0	0	108.7	I631 A632 L1059 T1062 L1063 L1175	I631-I646 HydrophobicContact CG2-CG2 4.33Å; A632-I646 HydrophobicContact CB-CG1 4.16Å; I646-L1059 HydrophobicContact CD1-CD1 3.8Å; I646-L1059 HydrophobicContact CG1-CD1 3.7Å; I646-T1062 HydrophobicContact CD1-CG2 3.88Å; I646-L1063 HydrophobicContact CD1-CB 3.78Å; I646-L1063 HydrophobicContact CD1-CD1 4.17Å; I646-L1175 HydrophobicContact CG2-CD1 3.63Å; I646-L1175 HydrophobicContact CG2-CD2 4.26Å
647	N	93.9	Very high	81.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	39.8	59.4	-175.4	-175.8	34.7	0	0	0	115	F615 I631 C1098 N1131 L1133 L1175 Q1177	F615-N647 HydrophobicContact CE1-CB 4.29Å; F615-N647 WeakPolarHBondContact CE1-OD1 3.23Å; I631-N647 PolarHBondContact O-N 3.05Å; N647-C1098 PolarHBondContact ND2-SG 3.1Å; N647-C1098 VanDerWaalsContact ND2-SG 3.4Å; N647-C1098 PolarHBondContact O-SG 2.7Å; N647-N1131 PolarHBondContact ND2-O 3.4Å; N647-L1133 HydrophobicContact CB-CB 4.34Å; N647-L1175 HydrophobicContact CB-CB 4.12Å; N647-L1175 HydrophobicContact CB-CD1 3.84Å; N647-L1175 PolarHBondContact ND2-O 2.84Å; N647-Q1177 PolarHBondContact ND2-NE2 3.26Å; N647-Q1177 PolarHBondContact O-NE2 3.05Å
648	P	91.4	Very high	82.6	Confident	13 Å²	13	67.7 Å²	67.7	8%	0.084	35%	0.349	C	S	.	.			trans	-67.1	142.9	179.3	26.5	-33	0	0	0	112.7	F615 I633 L645 L652	F615-P648 HydrophobicContact CB-CG 3.98Å; F615-P648 HydrophobicContact CD1-CG 4.11Å; F615-P648 VanDerWaalsContact CD1-O 3.31Å; F615-P648 WeakPolarHBondContact CD1-O 3.49Å; F615-P648 HydrophobicContact CD2-CG 3.76Å; F615-P648 HydrophobicContact CE2-CG 4.26Å; F615-P648 HydrophobicContact CG-CG 3.68Å; I633-P648 HydrophobicContact CD1-CG 3.91Å; I633-P648 HydrophobicContact CG1-CG 3.89Å; L645-P648 HydrophobicContact CB-CB 4.28Å; L645-P648 HydrophobicContact CB-CG 4.23Å; P648-L652 HydrophobicContact CB-CB 4.31Å; P648-L652 HydrophobicContact CB-CD1 3.97Å; P648-L652 HydrophobicContact CG-CD1 4.49Å
649	G	86.6	Confident	84.1	Confident	8 Å²	8	63.3 Å²	63.3	8%	0.082	31%	0.312	C	S	.	.			trans	-65	168.7	-175.6	0	0	0	0	0	115.4	H651 L652	G649-H651 PolarHBondContact O-N 3.35Å; G649-L652 PolarHBondContact O-N 3.22Å
650	N	87.8	Confident	85.9	Confident	91 Å²	91	57.2 Å²	57.2	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.3	-177.7	66.1	9.5	0	0	0	115.6	P616 L652 K653	P616-N650 HydrophobicContact CG-CB 4.49Å; N650-L652 VanDerWaalsContact C-N 3.32Å; N650-K653 PolarHBondContact O-NZ 2.9Å
651	H	85.5	Confident	87.8	Confident	128 Å²	128	46.2 Å²	46.2	59%	0.593	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-33	175.5	65.9	-111.6	0	0	0	112.1	G649 D1096	G649-H651 PolarHBondContact O-N 3.35Å; H651-D1096 IonicContact CE1-OD2 2.63Å
652	L	88.2	Confident	89.3	Confident	16 Å²	16	42.3 Å²	42.3	8%	0.084	22%	0.219	C	C	.	.			trans	-83.3	130.6	-177.6	-168.3	154.3	0	0	0	110.3	I633 Y635 L645 P648 G649 N650	I633-L652 HydrophobicContact CD1-CD2 3.55Å; Y635-L652 HydrophobicContact CD2-CD1 3.92Å; Y635-L652 HydrophobicContact CD2-CD2 4.41Å; Y635-L652 HydrophobicContact CD2-CG 4.4Å; Y635-L652 HydrophobicContact CE2-CD1 4.19Å; Y635-L652 HydrophobicContact CE2-CG 4.41Å; Y635-L652 HydrophobicContact CG-CD1 4.5Å; L645-L652 HydrophobicContact CD1-CD1 3.5Å; L645-L652 VanDerWaalsContact CD1-CD1 3.5Å; P648-L652 HydrophobicContact CB-CB 4.31Å; P648-L652 HydrophobicContact CB-CD1 3.97Å; P648-L652 HydrophobicContact CG-CD1 4.49Å; G649-L652 PolarHBondContact O-N 3.22Å; N650-L652 VanDerWaalsContact C-N 3.32Å
653	K	90.8	Very high	90.3	Very high	95 Å²	95	39.5 Å²	39.5	41%	0.413	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-108.6	139.7	177.1	-55.3	-50.7	-176.2	-159.8	0	111.6	L613 S614 N650 Q655	L613-K653 VanDerWaalsContact O-CA 3.31Å; L613-K653 WeakPolarHBondContact O-CA 3.27Å; S614-K653 VanDerWaalsContact CB-NZ 3.34Å; S614-K653 PolarHBondContact OG-NZ 3.35Å; N650-K653 PolarHBondContact O-NZ 2.9Å; K653-Q655 PolarHBondContact O-N 3.04Å
654	I	93	Very high	90.9	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-65	127.3	-179.7	-59.8	-51.6	0	0	0	110.4	L606 F610 V611 G612 L613 F615 V618 I633 T658	L606-I654 HydrophobicContact CD1-CD1 4.26Å; L606-I654 HydrophobicContact CD1-CG1 4.42Å; L606-I654 HydrophobicContact CD1-CG2 3.69Å; F610-I654 HydrophobicContact CB-CG2 4.48Å; V611-I654 WeakPolarHBondContact CA-O 3.37Å; G612-I654 PolarHBondContact N-O 3.01Å; L613-I654 PolarHBondContact O-N 2.85Å; F615-I654 HydrophobicContact CB-CD1 4.34Å; F615-I654 HydrophobicContact CD2-CD1 4.47Å; V618-I654 HydrophobicContact CG2-CG1 4Å; I633-I654 HydrophobicContact CD1-CD1 3.85Å; I633-I654 HydrophobicContact CG2-CD1 4.26Å; I654-T658 WeakPolarHBondContact CG2-OG1 3.47Å
655	Q	90.5	Very high	90.8	Very high	80 Å²	80	37.5 Å²	37.5	37%	0.374	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-92.8	160.8	176.2	-56.4	-177.2	11.2	0	0	111.4	Y635 K653 G657 T658	Y635-Q655 VanDerWaalsContact CE2-NE2 3.32Å; K653-Q655 PolarHBondContact O-N 3.04Å; Q655-G657 PolarHBondContact O-N 2.86Å; Q655-T658 HydrophobicContact CB-CG2 3.99Å; Q655-T658 WeakPolarHBondContact O-CG2 3.3Å; Q655-T658 PolarHBondContact O-OG1 3.47Å
656	E	88.9	Confident	90.5	Very high	141 Å²	141	37 Å²	37	66%	0.659	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	128.1	174.3	-172.8	175.3	-159.7	0	0	110.7	V611	V611-E656 HydrophobicContact CG1-CB 4.45Å; V611-E656 HydrophobicContact CG2-CB 4.02Å
657	G	88	Confident	90.1	Very high	39 Å²	39	36.6 Å²	36.6	40%	0.402	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	20.3	-178.6	0	0	0	0	0	115.2	Q655	Q655-G657 PolarHBondContact O-N 2.86Å
658	T	91.8	Very high	89.6	Confident	7 Å²	7	41.7 Å²	41.7	4%	0.043	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-71.4	134.5	167.9	40.5	0	0	0	0	111.3	L606 I654 Q655	L606-T658 PolarHBondContact N-O 3.26Å; L606-T658 VanDerWaalsContact N-O 3.08Å; I654-T658 WeakPolarHBondContact CG2-OG1 3.47Å; Q655-T658 HydrophobicContact CB-CG2 3.99Å; Q655-T658 WeakPolarHBondContact O-CG2 3.3Å; Q655-T658 PolarHBondContact O-OG1 3.47Å
659	L	92.6	Very high	89.4	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.2	167	-167	72.9	0	0	0	108.9	Y605 I633 E634 F661	Y605-L659 HydrophobicContact CD1-CB 4.48Å; Y605-L659 HydrophobicContact CD1-CD1 4.2Å; Y605-L659 HydrophobicContact CD2-CD1 4.1Å; Y605-L659 HydrophobicContact CE1-CB 4.27Å; Y605-L659 HydrophobicContact CE1-CD1 4.1Å; Y605-L659 HydrophobicContact CE2-CD1 3.99Å; Y605-L659 HydrophobicContact CG-CD1 4.21Å; I633-L659 CarbonylContact C-O 3.59Å; I633-L659 WeakPolarHBondContact CA-O 3.33Å; E634-L659 HydrophobicContact CB-CB 3.83Å; E634-L659 PolarHBondContact N-O 3.05Å; L659-F661 HydrophobicContact CD2-CE2 4.48Å; L659-F661 HydrophobicContact CD2-CZ 4.25Å
660	G	94.2	Very high	89.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.5	171.2	0	0	0	0	0	111	T603 E604 F662	T603-G660 WeakPolarHBondContact CA-O 3.36Å; E604-G660 PolarHBondContact N-O 3.31Å; E604-G660 PolarHBondContact O-N 3.04Å; G660-F662 WeakPolarHBondContact O-CD2 3.35Å
661	F	95	Very high	89.6	Confident	2 Å²	2	43 Å²	43	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.5	175.3	-63.9	-100.9	0	0	0	109.3	Y602 T603 M630 I631 A632 E634 I644 L659 N1055 L1059	Y602-F661 WeakPolarHBondContact O-CA 3.44Å; T603-F661 HydrophobicContact CG2-CD1 3.62Å; T603-F661 HydrophobicContact CG2-CE1 3.68Å; M630-F661 WeakPolarHBondContact CA-O 3.49Å; I631-F661 PolarHBondContact N-O 3.47Å; A632-F661 HydrophobicContact CB-CB 4.03Å; A632-F661 HydrophobicContact CB-CD2 3.91Å; A632-F661 HydrophobicContact CB-CG 4.18Å; A632-F661 PolarHBondContact O-N 2.83Å; E634-F661 HydrophobicContact CB-CE2 4.46Å; I644-F661 HydrophobicContact CD1-CE1 4.21Å; I644-F661 HydrophobicContact CD1-CE2 4.28Å; I644-F661 HydrophobicContact CD1-CZ 3.6Å; I644-F661 HydrophobicContact CG1-CE2 4.23Å; I644-F661 HydrophobicContact CG1-CZ 4Å; I644-F661 HydrophobicContact CG2-CD2 4.49Å; I644-F661 HydrophobicContact CG2-CE2 4.01Å; I644-F661 HydrophobicContact CG2-CZ 4.27Å; L659-F661 HydrophobicContact CD2-CE2 4.48Å; L659-F661 HydrophobicContact CD2-CZ 4.25Å; F661-N1055 HydrophobicContact CE1-CB 3.61Å; F661-N1055 HydrophobicContact CZ-CB 3.78Å; F661-L1059 HydrophobicContact CB-CD2 3.75Å; F661-L1059 HydrophobicContact CD1-CB 4.23Å; F661-L1059 HydrophobicContact CD1-CD2 3.35Å; F661-L1059 HydrophobicContact CD1-CG 4.37Å; F661-L1059 HydrophobicContact CE1-CB 4.07Å; F661-L1059 HydrophobicContact CE1-CD2 4.05Å; F661-L1059 HydrophobicContact CG-CD2 3.69Å
662	F	94.5	Very high	89.9	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.9	-170.2	-62.9	-88.6	0	0	0	111.7	M601 Y602 E604 L606 C622 L628 L629 M630 G660 V670 A673	M601-F662 WeakPolarHBondContact CA-O 3.32Å; Y602-F662 PolarHBondContact N-O 2.94Å; Y602-F662 PolarHBondContact O-N 3.1Å; E604-F662 HydrophobicContact CB-CD2 4.42Å; E604-F662 HydrophobicContact CB-CE2 4.2Å; L606-F662 HydrophobicContact CD2-CE2 4.31Å; L606-F662 HydrophobicContact CD2-CZ 3.71Å; C622-F662 HydrophobicContact CB-CE1 4.46Å; L628-F662 HydrophobicContact CB-CD1 3.9Å; L628-F662 HydrophobicContact CB-CE1 4.28Å; L628-F662 HydrophobicContact CD1-CD1 4.45Å; L628-F662 HydrophobicContact CD1-CE1 4.43Å; L629-F662 CarbonylContact O-C 3.58Å; L629-F662 VanDerWaalsContact O-CA 3.29Å; L629-F662 WeakPolarHBondContact O-CA 3.21Å; M630-F662 HydrophobicContact CB-CD1 3.78Å; M630-F662 HydrophobicContact CB-CE1 3.64Å; M630-F662 HydrophobicContact CB-CZ 4.46Å; M630-F662 HydrophobicContact CG-CD1 4.12Å; M630-F662 HydrophobicContact CG-CE1 3.8Å; M630-F662 HydrophobicContact CG-CZ 4.14Å; M630-F662 HydrophobicContact SD-CE1 4.06Å; M630-F662 HydrophobicContact SD-CZ 4Å; G660-F662 WeakPolarHBondContact O-CD2 3.35Å; F662-V670 HydrophobicContact CB-CG1 4.1Å; F662-V670 HydrophobicContact CD2-CG1 3.69Å; F662-V670 HydrophobicContact CE2-CG1 4.32Å; F662-V670 HydrophobicContact CG-CG1 3.99Å; F662-A673 HydrophobicContact CE1-CB 4.25Å; F662-A673 HydrophobicContact CE2-CB 4.12Å; F662-A673 HydrophobicContact CZ-CB 3.63Å
663	I	94.8	Very high	90.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	156.8	-60.7	-179.4	0	0	0	108.1	L575 N599 E600 L629 I631 N1159	L575-I663 HydrophobicContact CD1-CD1 3.51Å; L575-I663 HydrophobicContact CD1-CG1 4.22Å; L575-I663 HydrophobicContact CD2-CD1 3.83Å; L575-I663 HydrophobicContact CD2-CG1 4.18Å; L575-I663 HydrophobicContact CD2-CG2 3.82Å; L575-I663 HydrophobicContact CG-CD1 4.34Å; N599-I663 HydrophobicContact CB-CG2 3.61Å; E600-I663 WeakPolarHBondContact O-CA 3.29Å; L629-I663 HydrophobicContact CB-CB 4.35Å; L629-I663 HydrophobicContact CD2-CB 4.37Å; L629-I663 HydrophobicContact CD2-CD1 4.28Å; L629-I663 PolarHBondContact N-O 3.39Å; L629-I663 PolarHBondContact O-N 2.88Å; I631-I663 HydrophobicContact CD1-CD1 3.36Å; I631-I663 HydrophobicContact CD1-CG1 3.78Å; I663-N1159 HydrophobicContact CG2-CB 3.75Å
664	A	91	Very high	90.1	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	171.6	176.5	0	0	0	0	0	110.1	N599 E600 Y602 L628 V670	N599-A664 CarbonylContact C-O 3.33Å; N599-A664 WeakPolarHBondContact CA-O 3.4Å; E600-A664 PolarHBondContact N-O 3.46Å; E600-A664 PolarHBondContact O-N 3.21Å; Y602-A664 HydrophobicContact CD2-CB 4.3Å; Y602-A664 WeakPolarHBondContact CE2-O 3.32Å; L628-A664 HydrophobicContact CD2-CB 3.73Å; A664-V670 HydrophobicContact CB-CG2 3.56Å
665	S	87.2	Confident	90	Very high	69 Å²	69	38 Å²	38	48%	0.483	20%	0.197	S	C	.	.	S	Bend	trans	-105	12.5	-177.5	71.2	0	0	0	0	115.4	S598	S598-S665 VanDerWaalsContact O-CA 3.22Å; S598-S665 WeakPolarHBondContact O-CA 3.39Å; S598-S665 WeakPolarHBondContact O-CB 3.42Å
666	D	83.8	Confident	90.1	Very high	45 Å²	45	34.6 Å²	34.6	24%	0.241	18%	0.18	C	C	.	.			trans	-169.4	131.5	175.6	179.3	-5.1	0	0	0	109.1	K668 E669	D666-K668 PolarHBondContact O-N 3.44Å; D666-K668 WeakPolarHBondContact OD1-CB 3.28Å; D666-K668 WeakPolarHBondContact OD1-CD 3.45Å; D666-K668 VanDerWaalsContact OD1-CG 3.28Å; D666-K668 WeakPolarHBondContact OD1-CG 3.4Å; D666-K668 PolarHBondContact OD1-N 3.45Å; D666-K668 IonicContact OD1-NZ 2.61Å; D666-K668 PolarHBondContact OD1-NZ 3.04Å; D666-K668 WeakPolarHBondContact OD2-CD 3.42Å; D666-K668 IonicContact OD2-NZ 2.72Å; D666-E669 HydrophobicContact CB-CB 4.48Å; D666-E669 HydrophobicContact CB-CG 3.94Å; D666-E669 WeakPolarHBondContact O-CB 3.37Å; D666-E669 PolarHBondContact O-N 3.03Å
667	A	81.8	Confident	90.1	Very high	18 Å²	18	29.2 Å²	29.2	15%	0.149	16%	0.158	C	C	.	.	H	α-helix	trans	-48.3	-34.6	172.1	0	0	0	0	0	113.6	Y602 V670 K671	Y602-A667 HydrophobicContact CD1-CB 4.12Å; Y602-A667 HydrophobicContact CE1-CB 3.56Å; Y602-A667 PolarHBondContact OH-N 3.31Å; A667-V670 PolarHBondContact O-N 3.19Å; A667-K671 PolarHBondContact O-N 3.03Å
668	K	83.9	Confident	90.1	Very high	106 Å²	106	33.5 Å²	33.5	46%	0.461	17%	0.166	S	C	.	.	H	α-helix	trans	-70.6	-32.6	-177.6	-58.9	161.7	-154.9	59.4	0	112.1	D434 D666 V670 K671	D434-K668 WeakPolarHBondContact OD1-CE 3.46Å; D434-K668 IonicContact OD1-NZ 3.44Å; D434-K668 PolarHBondContact OD1-NZ 3.38Å; D666-K668 PolarHBondContact O-N 3.44Å; D666-K668 WeakPolarHBondContact OD1-CB 3.28Å; D666-K668 WeakPolarHBondContact OD1-CD 3.45Å; D666-K668 VanDerWaalsContact OD1-CG 3.28Å; D666-K668 WeakPolarHBondContact OD1-CG 3.4Å; D666-K668 PolarHBondContact OD1-N 3.45Å; D666-K668 IonicContact OD1-NZ 2.61Å; D666-K668 PolarHBondContact OD1-NZ 3.04Å; D666-K668 WeakPolarHBondContact OD2-CD 3.42Å; D666-K668 IonicContact OD2-NZ 2.72Å; K668-V670 VanDerWaalsContact C-N 3.32Å; K668-K671 PolarHBondContact O-N 3.07Å
669	E	88	Confident	89.8	Confident	50 Å²	50	38 Å²	38	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-35.5	176.5	-66.2	-74.7	87.6	0	0	110.6	L628 D666 K671 R672	L628-E669 HydrophobicContact CD2-CB 4.38Å; D666-E669 HydrophobicContact CB-CB 4.48Å; D666-E669 HydrophobicContact CB-CG 3.94Å; D666-E669 WeakPolarHBondContact O-CB 3.37Å; D666-E669 PolarHBondContact O-N 3.03Å; E669-K671 PolarHBondContact O-N 3.15Å; E669-R672 VanDerWaalsContact CD-NH2 3.29Å; E669-R672 WeakPolarHBondContact O-CB 3.45Å; E669-R672 VanDerWaalsContact O-CG 3.26Å; E669-R672 WeakPolarHBondContact O-CG 3.44Å; E669-R672 PolarHBondContact O-N 3.17Å; E669-R672 PolarHBondContact O-NE 3.49Å; E669-R672 VanDerWaalsContact O-NE 3.08Å; E669-R672 IonicContact OE1-CZ 3.53Å; E669-R672 IonicContact OE1-NH1 2.75Å; E669-R672 PolarHBondContact OE1-NH1 3.49Å; E669-R672 IonicContact OE1-NH2 3.11Å; E669-R672 IonicContact OE2-CZ 3.3Å; E669-R672 IonicContact OE2-NH1 2.7Å; E669-R672 PolarHBondContact OE2-NH1 3Å; E669-R672 IonicContact OE2-NH2 2.8Å; E669-R672 PolarHBondContact OE2-NH2 2.74Å
670	V	89.5	Confident	89.5	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-32.9	179.7	-169.7	0	0	0	0	112.3	Y602 E604 L628 F662 A664 A667 K668 R672 A673	Y602-V670 HydrophobicContact CD2-CG2 3.87Å; Y602-V670 HydrophobicContact CG-CG2 3.85Å; E604-V670 HydrophobicContact CB-CG1 3.68Å; E604-V670 HydrophobicContact CG-CG1 4.34Å; L628-V670 HydrophobicContact CD2-CG2 4.2Å; F662-V670 HydrophobicContact CB-CG1 4.1Å; F662-V670 HydrophobicContact CD2-CG1 3.69Å; F662-V670 HydrophobicContact CE2-CG1 4.32Å; F662-V670 HydrophobicContact CG-CG1 3.99Å; A664-V670 HydrophobicContact CB-CG2 3.56Å; A667-V670 PolarHBondContact O-N 3.19Å; K668-V670 VanDerWaalsContact C-N 3.32Å; V670-R672 PolarHBondContact O-N 3.07Å; V670-A673 WeakPolarHBondContact O-CB 3.43Å; V670-A673 PolarHBondContact O-N 3.12Å
671	K	89.4	Confident	89.2	Confident	88 Å²	88	40.9 Å²	40.9	38%	0.383	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22	176.1	-58.1	-67.8	155.9	-159.3	0	113.1	E604 A667 K668 E669 A673 F674 F675	E604-K671 VanDerWaalsContact OE2-CD 3.23Å; E604-K671 WeakPolarHBondContact OE2-CD 3.31Å; E604-K671 WeakPolarHBondContact OE2-CE 3.13Å; E604-K671 IonicContact OE2-NZ 3.24Å; E604-K671 PolarHBondContact OE2-NZ 3.46Å; A667-K671 PolarHBondContact O-N 3.03Å; K668-K671 PolarHBondContact O-N 3.07Å; E669-K671 PolarHBondContact O-N 3.15Å; K671-A673 VanDerWaalsContact C-N 3.25Å; K671-A673 PolarHBondContact O-N 3.47Å; K671-F674 PolarHBondContact O-N 2.99Å; K671-F675 HydrophobicContact CB-CD2 4.29Å; K671-F675 HydrophobicContact CB-CE2 3.97Å; K671-F675 VanDerWaalsContact O-CD2 3.3Å; K671-F675 WeakPolarHBondContact O-CD2 3.48Å; K671-F675 PolarHBondContact O-N 3.35Å
672	R	91	Very high	88.8	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.038	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-32.2	173.7	-63.1	-172.2	-68.3	-135.5	3.1	113.2	L626 E669 V670 F674 F675 Y676 P687 I690	L626-R672 HydrophobicContact CD2-CB 4.4Å; L626-R672 VanDerWaalsContact O-CZ 3.3Å; L626-R672 PolarHBondContact O-NE 2.75Å; L626-R672 PolarHBondContact O-NH2 3.29Å; E669-R672 VanDerWaalsContact CD-NH2 3.29Å; E669-R672 WeakPolarHBondContact O-CB 3.45Å; E669-R672 VanDerWaalsContact O-CG 3.26Å; E669-R672 WeakPolarHBondContact O-CG 3.44Å; E669-R672 PolarHBondContact O-N 3.17Å; E669-R672 PolarHBondContact O-NE 3.49Å; E669-R672 VanDerWaalsContact O-NE 3.08Å; E669-R672 IonicContact OE1-CZ 3.53Å; E669-R672 IonicContact OE1-NH1 2.75Å; E669-R672 PolarHBondContact OE1-NH1 3.49Å; E669-R672 IonicContact OE1-NH2 3.11Å; E669-R672 IonicContact OE2-CZ 3.3Å; E669-R672 IonicContact OE2-NH1 2.7Å; E669-R672 PolarHBondContact OE2-NH1 3Å; E669-R672 IonicContact OE2-NH2 2.8Å; E669-R672 PolarHBondContact OE2-NH2 2.74Å; V670-R672 PolarHBondContact O-N 3.07Å; R672-F674 VanDerWaalsContact C-N 3.29Å; R672-F674 PolarHBondContact O-N 3.23Å; R672-F675 CarbonylContact O-C 3.58Å; R672-F675 PolarHBondContact O-N 3.09Å; R672-Y676 PolarHBondContact O-N 3.14Å; R672-P687 WeakPolarHBondContact CD-O 3.37Å; R672-I690 HydrophobicContact CB-CG2 4.25Å; R672-I690 HydrophobicContact CG-CB 4.38Å; R672-I690 HydrophobicContact CG-CG2 4.46Å
673	A	92.1	Very high	88.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-34.6	177.4	0	0	0	0	0	112.7	S607 F610 L626 L628 F662 V670 K671	S607-A673 VanDerWaalsContact CB-O 3.22Å; S607-A673 WeakPolarHBondContact CB-O 3.39Å; S607-A673 PolarHBondContact N-O 3.36Å; S607-A673 VanDerWaalsContact N-O 3.08Å; F610-A673 WeakPolarHBondContact CE2-O 3.34Å; L626-A673 HydrophobicContact CD1-CB 4.4Å; L628-A673 HydrophobicContact CD1-CB 4.15Å; F662-A673 HydrophobicContact CE1-CB 4.25Å; F662-A673 HydrophobicContact CE2-CB 4.12Å; F662-A673 HydrophobicContact CZ-CB 3.63Å; V670-A673 WeakPolarHBondContact O-CB 3.43Å; V670-A673 PolarHBondContact O-N 3.12Å; K671-A673 VanDerWaalsContact C-N 3.25Å; K671-A673 PolarHBondContact O-N 3.47Å
674	F	92.2	Very high	87.9	Confident	65 Å²	65	52.2 Å²	52.2	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-81.2	-29.5	175.8	-175.2	-114	0	0	0	113.1	E604 Y605 K671 R672 R697	E604-F674 HydrophobicContact CG-CB 4.17Å; Y605-F674 WeakPolarHBondContact O-CA 3.5Å; Y605-F674 WeakPolarHBondContact O-CB 3.17Å; Y605-F674 WeakPolarHBondContact O-CD2 3.45Å; K671-F674 PolarHBondContact O-N 2.99Å; R672-F674 VanDerWaalsContact C-N 3.29Å; R672-F674 PolarHBondContact O-N 3.23Å; F674-R697 VanDerWaalsContact CE2-NH2 3.31Å
675	F	90.9	Very high	87.4	Confident	63 Å²	63	58 Å²	58	28%	0.276	32%	0.318	S	S	.	.	H	α-helix	trans	-90.5	-9.5	179.3	-60.8	-39.7	0	0	0	114.8	K671 R672 C677 H681 K692	K671-F675 HydrophobicContact CB-CD2 4.29Å; K671-F675 HydrophobicContact CB-CE2 3.97Å; K671-F675 VanDerWaalsContact O-CD2 3.3Å; K671-F675 WeakPolarHBondContact O-CD2 3.48Å; K671-F675 PolarHBondContact O-N 3.35Å; R672-F675 CarbonylContact O-C 3.58Å; R672-F675 PolarHBondContact O-N 3.09Å; F675-C677 PolarHBondContact O-N 2.95Å; F675-H681 PolarHBondContact O-CE1 3.45Å; F675-K692 HydrophobicContact CD1-CB 3.77Å; F675-K692 HydrophobicContact CD1-CG 4.03Å; F675-K692 HydrophobicContact CD2-CB 4.49Å; F675-K692 HydrophobicContact CE1-CB 3.79Å; F675-K692 HydrophobicContact CE1-CD 4.12Å; F675-K692 HydrophobicContact CE1-CG 3.93Å; F675-K692 HydrophobicContact CE2-CB 4.5Å; F675-K692 HydrophobicContact CG-CB 4.15Å; F675-K692 HydrophobicContact CZ-CB 4.17Å
676	Y	91.3	Very high	87.3	Confident	8 Å²	8	58 Å²	58	3%	0.031	31%	0.312	C	S	.	.			trans	-58.9	138.5	178.8	-170.2	-109.8	0	0	0	111.6	S607 A609 F610 L626 R672 H681 D682 I690	S607-Y676 VanDerWaalsContact CB-O 3.28Å; S607-Y676 WeakPolarHBondContact CB-O 3.23Å; S607-Y676 PolarHBondContact OG-O 3.02Å; A609-Y676 HydrophobicContact CB-CD1 4.27Å; F610-Y676 AromaticContact CE1-CD1 3.71Å; F610-Y676 HydrophobicContact CE1-CD1 3.71Å; F610-Y676 HydrophobicContact CE1-CE1 4.14Å; F610-Y676 HydrophobicContact CE2-CD1 4.25Å; F610-Y676 AromaticContact CZ-CD1 3.48Å; F610-Y676 HydrophobicContact CZ-CD1 3.48Å; F610-Y676 VanDerWaalsContact CZ-CD1 3.48Å; F610-Y676 HydrophobicContact CZ-CE1 4.31Å; F610-Y676 AromaticContact CZ-CG 3.93Å; F610-Y676 HydrophobicContact CZ-CG 3.93Å; L626-Y676 HydrophobicContact CD2-CD2 3.73Å; L626-Y676 HydrophobicContact CD2-CE2 4.32Å; L626-Y676 HydrophobicContact CD2-CG 4.33Å; R672-Y676 PolarHBondContact O-N 3.14Å; Y676-H681 HydrophobicContact CD2-CB 4.18Å; Y676-H681 HydrophobicContact CE2-CB 3.93Å; Y676-D682 PolarHBondContact OH-OD1 3.43Å; Y676-I690 HydrophobicContact CD2-CG2 4.37Å
677	C	90.3	Very high	87.4	Confident	27 Å²	27	56.4 Å²	56.4	18%	0.182	31%	0.305	C	S	.	.			trans	-154	113.1	-179	-179.1	0	0	0	0	108.7	F675 A679 C680 H681 C695	F675-C677 PolarHBondContact O-N 2.95Å; C677-A679 PolarHBondContact O-N 3.41Å; C677-C680 HydrophobicContact CB-CB 4.01Å; C677-C680 CarbonylContact O-C 3.54Å; C677-C680 PolarHBondContact O-N 3.33Å; C677-H681 PolarHBondContact N-ND1 2.92Å; C677-H681 WeakPolarHBondContact O-CB 3.48Å; C677-H681 PolarHBondContact O-N 3.07Å; C677-C695 VanDerWaalsContact SG-SG 3.64Å
678	K	86.6	Confident	87.6	Confident	130 Å²	130	62.4 Å²	62.4	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-51.6	-54.4	-170.6	-162.6	173.3	-177.9	171.1	0	112.8	C680 H681 D682	K678-C680 PolarHBondContact O-N 3.44Å; K678-H681 PolarHBondContact O-N 3.39Å; K678-D682 VanDerWaalsContact CE-CG 3.46Å; K678-D682 WeakPolarHBondContact CE-OD1 3.36Å; K678-D682 WeakPolarHBondContact CE-OD2 3.37Å; K678-D682 HydrophobicContact CG-CB 4.37Å; K678-D682 VanDerWaalsContact CG-CG 3.43Å; K678-D682 VanDerWaalsContact CG-OD1 3.29Å; K678-D682 WeakPolarHBondContact CG-OD1 3.22Å; K678-D682 WeakPolarHBondContact CG-OD2 3.3Å; K678-D682 IonicContact NZ-OD2 3.83Å; K678-D682 WeakPolarHBondContact O-CB 3.14Å; K678-D682 PolarHBondContact O-N 3.16Å
679	A	85.9	Confident	87.6	Confident	100 Å²	100	65.3 Å²	65.3	83%	0.826	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-17.3	-179.8	0	0	0	0	0	115.2	C677	C677-A679 PolarHBondContact O-N 3.41Å
680	C	85.9	Confident	87.5	Confident	53 Å²	53	63.2 Å²	63.2	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-100.5	-20.3	177.5	-90	0	0	0	0	112.4	C677 K678 C693 C695	C677-C680 HydrophobicContact CB-CB 4.01Å; C677-C680 CarbonylContact O-C 3.54Å; C677-C680 PolarHBondContact O-N 3.33Å; K678-C680 PolarHBondContact O-N 3.44Å; C680-C693 HydrophobicContact CB-CB 3.83Å; C680-C695 HydrophobicContact CB-CB 4.37Å; C680-C695 WeakPolarHBondContact CB-SG 3.41Å; C680-C695 WeakPolarHBondContact SG-CB 3.32Å; C680-C695 CovalentContact SG-SG 2.07Å; C680-C695 PolarHBondContact SG-SG 2.67Å
681	H	88.9	Confident	87.3	Confident	17 Å²	17	70 Å²	70	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-138.5	-0.7	-166.1	-56.8	144	0	0	0	117.2	F675 Y676 C677 K678 D683 V684 K691	F675-H681 PolarHBondContact O-CE1 3.45Å; Y676-H681 HydrophobicContact CD2-CB 4.18Å; Y676-H681 HydrophobicContact CE2-CB 3.93Å; C677-H681 PolarHBondContact N-ND1 2.92Å; C677-H681 WeakPolarHBondContact O-CB 3.48Å; C677-H681 PolarHBondContact O-N 3.07Å; K678-H681 PolarHBondContact O-N 3.39Å; H681-D683 VanDerWaalsContact C-N 3.33Å; H681-D683 PolarHBondContact O-N 2.86Å; H681-V684 HydrophobicContact CB-CG2 4.35Å; H681-V684 WeakPolarHBondContact O-CB 3.42Å; H681-V684 PolarHBondContact O-N 2.94Å; H681-V684 VanDerWaalsContact O-N 3.09Å; H681-K691 PolarHBondContact CE1-O 2.7Å; H681-K691 PolarHBondContact NE2-O 3.05Å
682	D	85.7	Confident	87	Confident	63 Å²	63	74 Å²	74	34%	0.337	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-43.5	-174.5	-121	9.6	0	0	0	113.4	K625 Y676 K678 V684	K625-D682 PolarHBondContact NZ-O 3.25Å; Y676-D682 PolarHBondContact OH-OD1 3.43Å; K678-D682 VanDerWaalsContact CE-CG 3.46Å; K678-D682 WeakPolarHBondContact CE-OD1 3.36Å; K678-D682 WeakPolarHBondContact CE-OD2 3.37Å; K678-D682 HydrophobicContact CG-CB 4.37Å; K678-D682 VanDerWaalsContact CG-CG 3.43Å; K678-D682 VanDerWaalsContact CG-OD1 3.29Å; K678-D682 WeakPolarHBondContact CG-OD1 3.22Å; K678-D682 WeakPolarHBondContact CG-OD2 3.3Å; K678-D682 IonicContact NZ-OD2 3.83Å; K678-D682 WeakPolarHBondContact O-CB 3.14Å; K678-D682 PolarHBondContact O-N 3.16Å; D682-V684 VanDerWaalsContact C-N 3.27Å; D682-V684 PolarHBondContact O-N 3.07Å
683	D	86.3	Confident	86.5	Confident	156 Å²	156	75.4 Å²	75.4	83%	0.834	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	2.7	-177.3	-57.1	-52.6	0	0	0	114	H681	H681-D683 VanDerWaalsContact C-N 3.33Å; H681-D683 PolarHBondContact O-N 2.86Å
684	V	84.9	Confident	85.7	Confident	22 Å²	22	79.1 Å²	79.1	13%	0.133	42%	0.422	C	S	.	.			trans	-77.7	131.6	-179.9	179.9	0	0	0	0	110.2	K625 H681 D682 D686 R689 I690	K625-V684 PolarHBondContact NZ-O 3.17Å; H681-V684 HydrophobicContact CB-CG2 4.35Å; H681-V684 WeakPolarHBondContact O-CB 3.42Å; H681-V684 PolarHBondContact O-N 2.94Å; H681-V684 VanDerWaalsContact O-N 3.09Å; D682-V684 VanDerWaalsContact C-N 3.27Å; D682-V684 PolarHBondContact O-N 3.07Å; V684-D686 WeakPolarHBondContact CG1-O 3.49Å; V684-R689 HydrophobicContact CG1-CB 3.96Å; V684-I690 HydrophobicContact CG1-CG1 4.02Å
685	T	80.7	Confident	85	Confident	126 Å²	126	78.4 Å²	78.4	77%	0.773	42%	0.424	S	S	*	.			trans	-103.6	-38.5	178.6	50.2	0	0	0	0	113.1	P687	T685-P687 WeakPolarHBondContact O-CD 3.49Å
686	D	85.3	Confident	83.5	Confident	68 Å²	68	86.8 Å²	86.8	36%	0.364	45%	0.454	S	S	.	.			trans	-86	112.7	173.1	168.8	23.3	0	0	0	110.6	V684 K688 R689	V684-D686 WeakPolarHBondContact CG1-O 3.49Å; D686-K688 PolarHBondContact O-N 3.46Å; D686-K688 WeakPolarHBondContact OD1-CB 3.49Å; D686-K688 PolarHBondContact OD1-N 3.17Å; D686-R689 HydrophobicContact CB-CG 4.32Å; D686-R689 WeakPolarHBondContact O-CB 3.42Å; D686-R689 PolarHBondContact O-N 2.89Å; D686-R689 VanDerWaalsContact O-N 3.14Å
687	P	84.4	Confident	81.8	Confident	13 Å²	13	93.4 Å²	93.4	8%	0.084	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-67.2	-18.6	-177.2	30.9	-37.4	0	0	0	112.9	K627 R672 T685 R689 I690	K627-P687 HydrophobicContact CD-CG 4.36Å; K627-P687 HydrophobicContact CG-CG 4.39Å; R672-P687 WeakPolarHBondContact CD-O 3.37Å; T685-P687 WeakPolarHBondContact O-CD 3.49Å; P687-R689 PolarHBondContact O-N 2.81Å; P687-I690 HydrophobicContact CB-CD1 4.33Å; P687-I690 WeakPolarHBondContact O-CB 3.3Å; P687-I690 PolarHBondContact O-N 3.26Å
688	K	85.6	Confident	79.6	Confident	143 Å²	143	97.3 Å²	97.3	62%	0.622	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-67.1	-14.4	175.4	-62	-175.2	175.7	-175.9	0	113.1	D686 K691	D686-K688 PolarHBondContact O-N 3.46Å; D686-K688 WeakPolarHBondContact OD1-CB 3.49Å; D686-K688 PolarHBondContact OD1-N 3.17Å; K688-K691 VanDerWaalsContact O-CE 3.28Å; K688-K691 WeakPolarHBondContact O-CE 3.06Å
689	R	85.7	Confident	77.2	Confident	168 Å²	168	100.8 Å²	100.8	63%	0.634	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-83.8	-13.4	172.2	-63.4	175.9	64.2	-168.8	-3	113.6	V684 D686 P687 K691	V684-R689 HydrophobicContact CG1-CB 3.96Å; D686-R689 HydrophobicContact CB-CG 4.32Å; D686-R689 WeakPolarHBondContact O-CB 3.42Å; D686-R689 PolarHBondContact O-N 2.89Å; D686-R689 VanDerWaalsContact O-N 3.14Å; P687-R689 PolarHBondContact O-N 2.81Å; R689-K691 PolarHBondContact O-N 3.44Å
690	I	85.6	Confident	74.9	Confident	6 Å²	6	102 Å²	102	3%	0.031	51%	0.51	C	S	.	.			trans	-78	91.8	-178.8	-57.7	177.7	0	0	0	109	L626 R672 Y676 V684 P687	L626-I690 HydrophobicContact CD2-CD1 3.49Å; L626-I690 VanDerWaalsContact CD2-CD1 3.49Å; L626-I690 HydrophobicContact CD2-CG2 4.39Å; R672-I690 HydrophobicContact CB-CG2 4.25Å; R672-I690 HydrophobicContact CG-CB 4.38Å; R672-I690 HydrophobicContact CG-CG2 4.46Å; Y676-I690 HydrophobicContact CD2-CG2 4.37Å; V684-I690 HydrophobicContact CG1-CG1 4.02Å; P687-I690 HydrophobicContact CB-CD1 4.33Å; P687-I690 WeakPolarHBondContact O-CB 3.3Å; P687-I690 PolarHBondContact O-N 3.26Å
691	K	85	Confident	72.5	Confident	143 Å²	143	102.8 Å²	102.8	62%	0.622	52%	0.516	S	S	*	.			trans	-122.1	172.8	-177.8	-64.6	-172.3	178.8	-175.9	0	110.9	H681 K688 R689 C693	H681-K691 PolarHBondContact CE1-O 2.7Å; H681-K691 PolarHBondContact NE2-O 3.05Å; K688-K691 VanDerWaalsContact O-CE 3.28Å; K688-K691 WeakPolarHBondContact O-CE 3.06Å; R689-K691 PolarHBondContact O-N 3.44Å; K691-C693 PolarHBondContact O-N 3.08Å
692	K	82.9	Confident	70.4	Confident	173 Å²	173	108.6 Å²	108.6	75%	0.752	55%	0.546	S	S	*	.			trans	-57.2	101.7	-180	-175.8	-178.4	177	-178.2	0	111.6	F675	F675-K692 HydrophobicContact CD1-CB 3.77Å; F675-K692 HydrophobicContact CD1-CG 4.03Å; F675-K692 HydrophobicContact CD2-CB 4.49Å; F675-K692 HydrophobicContact CE1-CB 3.79Å; F675-K692 HydrophobicContact CE1-CD 4.12Å; F675-K692 HydrophobicContact CE1-CG 3.93Å; F675-K692 HydrophobicContact CE2-CB 4.5Å; F675-K692 HydrophobicContact CG-CB 4.15Å; F675-K692 HydrophobicContact CZ-CB 4.17Å
693	C	81	Confident	68.2	Low	39 Å²	39	114.6 Å²	114.6	26%	0.264	57%	0.565	S	S	.	*			trans	-79.8	157.6	-176.4	60.4	0	0	0	0	113.7	C680 K691 C695	C680-C693 HydrophobicContact CB-CB 3.83Å; K691-C693 PolarHBondContact O-N 3.08Å; C693-C695 VanDerWaalsContact C-N 3.26Å; C693-C695 PolarHBondContact O-N 3.35Å
694	G	74.6	Confident	65.9	Low	79 Å²	79	113.8 Å²	113.8	81%	0.814	55%	0.554	S	S	*	*			trans	-75.5	-5.8	173.7	0	0	0	0	0	115.4	R696	G694-R696 PolarHBondContact O-N 2.95Å
695	C	77.6	Confident	63.8	Low	49 Å²	49	123.1 Å²	123.1	33%	0.331	59%	0.587	S	S	.	*			trans	-51.5	110.4	175.3	-83.2	0	0	0	0	110.1	C677 C680 C693 R697	C677-C695 VanDerWaalsContact SG-SG 3.64Å; C680-C695 HydrophobicContact CB-CB 4.37Å; C680-C695 WeakPolarHBondContact CB-SG 3.41Å; C680-C695 WeakPolarHBondContact SG-CB 3.32Å; C680-C695 CovalentContact SG-SG 2.07Å; C680-C695 PolarHBondContact SG-SG 2.67Å; C693-C695 VanDerWaalsContact C-N 3.26Å; C693-C695 PolarHBondContact O-N 3.35Å; C695-R697 PolarHBondContact O-N 3.12Å
696	R	59.7	Low	61.5	Low	239 Å²	239	123.5 Å²	123.5	90%	0.902	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-63.9	122	-175.8	-76.7	-174.5	176.6	-177.2	1	110.7	G694	G694-R696 PolarHBondContact O-N 2.95Å
697	R	56.3	Low	58.9	Low	147 Å²	147	129.5 Å²	129.5	56%	0.555	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-54.5	135.9	164.5	-69.8	-174.9	177.2	-174.4	-3.7	109.4	F674 C695 K699	F674-R697 VanDerWaalsContact CE2-NH2 3.31Å; C695-R697 PolarHBondContact O-N 3.12Å; R697-K699 PolarHBondContact O-N 3.4Å; R697-K699 VanDerWaalsContact O-N 3.09Å
698	P	43.7	Very low	56.7	Low	110 Å²	110	138.6 Å²	138.6	71%	0.714	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-60.9	116.6	175.5	25.2	-32.8	0	0	0	109	M700	P698-M700 PolarHBondContact O-N 3.26Å
699	K	35.5	Very low	54.3	Low	203 Å²	203	134.5 Å²	134.5	88%	0.883	63%	0.625	S	S	*	*			trans	-70.3	90.4	-179.9	-75.5	-170.5	175.3	-173.7	0	110	R697 S701	R697-K699 PolarHBondContact O-N 3.4Å; R697-K699 VanDerWaalsContact O-N 3.09Å; K699-S701 PolarHBondContact O-N 2.95Å
700	M	37	Very low	51.9	Low	126 Å²	126	131.4 Å²	131.4	62%	0.621	63%	0.628	S	S	*	*			trans	-52.4	122.6	157.7	-170.5	76.9	72.3	0	0	107.2	P698 K704	P698-M700 PolarHBondContact O-N 3.26Å; M700-K704 HydrophobicContact CG-CD 4.36Å; M700-K704 HydrophobicContact SD-CD 3.72Å
701	S	37.1	Very low	49.5	Very low	69 Å²	69	134.9 Å²	134.9	48%	0.483	65%	0.651	S	S	.	*			trans	-65.6	140.4	-167.1	59.8	0	0	0	0	112	K699 Y703 K704	K699-S701 PolarHBondContact O-N 2.95Å; S701-Y703 PolarHBondContact O-N 3.36Å; S701-Y703 VanDerWaalsContact O-N 3.11Å; S701-K704 WeakPolarHBondContact O-CB 3.38Å; S701-K704 PolarHBondContact O-N 3.39Å
702	I	43.6	Very low	47.2	Very low	138 Å²	138	136.2 Å²	136.2	71%	0.708	66%	0.657	S	S	*	*	H	α-helix	trans	-54.8	-32.4	176.6	-67.3	171.3	0	0	0	110.8	K704 R705 M706	I702-K704 PolarHBondContact O-N 3.46Å; I702-K704 VanDerWaalsContact O-N 3.16Å; I702-R705 WeakPolarHBondContact O-CA 3.48Å; I702-R705 WeakPolarHBondContact O-CB 3.37Å; I702-R705 PolarHBondContact O-N 3.17Å; I702-M706 PolarHBondContact O-N 3.23Å
703	Y	38.8	Very low	44.9	Very low	190 Å²	190	135 Å²	135	75%	0.745	66%	0.659	S	S	*	*	H	α-helix	trans	-44.9	-40.7	168.4	-113.1	-90.5	0	0	0	114.2	S701 R705 R707	S701-Y703 PolarHBondContact O-N 3.36Å; S701-Y703 VanDerWaalsContact O-N 3.11Å; Y703-R705 VanDerWaalsContact C-N 3.32Å; Y703-R705 PolarHBondContact O-N 3.17Å; Y703-R707 WeakPolarHBondContact O-CB 3.27Å; Y703-R707 PolarHBondContact O-N 3.15Å
704	K	38.1	Very low	42.9	Very low	138 Å²	138	137.7 Å²	137.7	60%	0.6	68%	0.677	S	S	*	*	H	α-helix	trans	-75.6	-20.3	-178.9	-138.5	179.7	-173.5	-176.9	0	113.1	M700 S701 I702	M700-K704 HydrophobicContact CG-CD 4.36Å; M700-K704 HydrophobicContact SD-CD 3.72Å; S701-K704 WeakPolarHBondContact O-CB 3.38Å; S701-K704 PolarHBondContact O-N 3.39Å; I702-K704 PolarHBondContact O-N 3.46Å; I702-K704 VanDerWaalsContact O-N 3.16Å
705	R	41.2	Very low	41.2	Very low	218 Å²	218	137.8 Å²	137.8	82%	0.823	68%	0.679	S	S	*	*	H	α-helix	trans	-84.2	-45.3	172.4	-155	173.8	-167.5	168.1	3.7	110.6	I702 Y703 R707 R708 A709	I702-R705 WeakPolarHBondContact O-CA 3.48Å; I702-R705 WeakPolarHBondContact O-CB 3.37Å; I702-R705 PolarHBondContact O-N 3.17Å; Y703-R705 VanDerWaalsContact C-N 3.32Å; Y703-R705 PolarHBondContact O-N 3.17Å; R705-R707 PolarHBondContact O-N 2.86Å; R705-R708 PolarHBondContact O-N 3.13Å; R705-A709 PolarHBondContact O-N 3.41Å
706	M	33.8	Very low	39.1	Very low	134 Å²	134	146.7 Å²	146.7	66%	0.66	71%	0.705	S	S	*	*	H	α-helix	trans	-60.7	-42	174.8	-109.6	172.3	158.9	0	0	112.9	I702 R708 A709 C710	I702-M706 PolarHBondContact O-N 3.23Å; M706-R708 PolarHBondContact O-N 3.39Å; M706-A709 WeakPolarHBondContact O-CB 3.33Å; M706-A709 PolarHBondContact O-N 2.96Å; M706-C710 PolarHBondContact O-N 3.27Å
707	R	30.1	Very low	38.2	Very low	194 Å²	194	139.8 Å²	139.8	73%	0.732	69%	0.694	S	S	*	*	H	α-helix	trans	-65.4	-19.3	178.5	-155.9	177.2	-166.8	-157.9	2.6	113.7	Y703 R705	Y703-R707 WeakPolarHBondContact O-CB 3.27Å; Y703-R707 PolarHBondContact O-N 3.15Å; R705-R707 PolarHBondContact O-N 2.86Å
708	R	37.1	Very low	37.4	Very low	205 Å²	205	142 Å²	142	77%	0.774	71%	0.71	S	S	*	*	H	α-helix	trans	-85.7	-19.9	170	-84.2	-174.4	167.1	178.8	-3.9	113.6	R705 M706	R705-R708 PolarHBondContact O-N 3.13Å; M706-R708 PolarHBondContact O-N 3.39Å
709	A	35.6	Very low	37.1	Very low	57 Å²	57	147.8 Å²	147.8	47%	0.471	72%	0.718	S	S	.	*	H	α-helix	trans	-77.2	-46.2	174.4	0	0	0	0	0	111.6	R705 M706 C711 F712	R705-A709 PolarHBondContact O-N 3.41Å; M706-A709 WeakPolarHBondContact O-CB 3.33Å; M706-A709 PolarHBondContact O-N 2.96Å; A709-C711 PolarHBondContact O-N 3.12Å; A709-C711 VanDerWaalsContact O-N 3.11Å; A709-F712 WeakPolarHBondContact O-CB 3.29Å; A709-F712 PolarHBondContact O-N 3.1Å
710	C	35.8	Very low	36.9	Very low	103 Å²	103	145.2 Å²	145.2	70%	0.696	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-17.9	178.7	-68.7	0	0	0	0	114.7	M706	M706-C710 PolarHBondContact O-N 3.27Å
711	C	35.2	Very low	36.8	Very low	78 Å²	78	143.4 Å²	143.4	53%	0.527	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.7	3.6	173.5	-61.7	0	0	0	0	113.3	A709	A709-C711 PolarHBondContact O-N 3.12Å; A709-C711 VanDerWaalsContact O-N 3.11Å
712	F	37.4	Very low	36.8	Very low	171 Å²	171	146.3 Å²	146.3	75%	0.75	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-38.5	179	-160.4	-98.6	0	0	0	111.8	A709 C714	A709-F712 WeakPolarHBondContact O-CB 3.29Å; A709-F712 PolarHBondContact O-N 3.1Å; F712-C714 VanDerWaalsContact C-N 3.32Å; F712-C714 PolarHBondContact O-N 2.9Å
713	D	33.4	Very low	36.3	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	73%	0.73	S	S	*	*	S	Bend	trans	-82.1	-5.9	178.8	-62.2	-36.1	0	0	0	114.1
714	C	38.4	Very low	35.9	Very low	95 Å²	95	144 Å²	144	64%	0.642	74%	0.738	S	S	*	*	S	Bend	trans	-125.3	89.2	179.9	-100.8	0	0	0	0	110.5	F712 R716	F712-C714 VanDerWaalsContact C-N 3.32Å; F712-C714 PolarHBondContact O-N 2.9Å; C714-R716 VanDerWaalsContact C-N 3.28Å; C714-R716 PolarHBondContact O-N 3.25Å
715	G	40.2	Very low	35.5	Very low	82 Å²	82	143.4 Å²	143.4	85%	0.845	75%	0.751	S	S	*	*			trans	-68.8	70.4	-177	0	0	0	0	0	114.8
716	R	33.8	Very low	34.9	Very low	236 Å²	236	136.4 Å²	136.4	89%	0.891	75%	0.747	S	S	*	*			trans	-136.5	159.4	169.5	-73.3	-169.5	173.3	-166.2	-1.5	111.3	C714	C714-R716 VanDerWaalsContact C-N 3.28Å; C714-R716 PolarHBondContact O-N 3.25Å
717	S	39.1	Very low	34.6	Very low	94 Å²	94	142.3 Å²	142.3	66%	0.657	76%	0.762	S	S	*	*			trans	-77.5	158.2	-173.1	57.1	0	0	0	0	113.5	R719	S717-R719 PolarHBondContact O-N 3.39Å
718	E	39.9	Very low	34.5	Very low	194 Å²	194	140 Å²	140	91%	0.907	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	7.1	-166.2	-62.1	-174	124.6	0	0	117.1
719	R	38.8	Very low	34	Very low	230 Å²	230	142.2 Å²	142.2	87%	0.868	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-31.8	-174	-62.3	-169.8	-172.9	-177.7	4.7	114.8	S717	S717-R719 PolarHBondContact O-N 3.39Å
720	D	31.5	Very low	33.5	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	79%	0.789	S	S	*	*			trans	-114.2	68.5	-170.5	-63.3	-48.9	0	0	0	112.6
721	C	33.9	Very low	32.9	Very low	88 Å²	88	145.7 Å²	145.7	60%	0.595	80%	0.797	S	S	*	*			trans	-137.4	85.9	177.6	-155	0	0	0	0	112.4	C723	C721-C723 VanDerWaalsContact SG-SG 3.69Å
722	S	36.5	Very low	32.6	Very low	130 Å²	130	147.2 Å²	147.2	91%	0.909	80%	0.804	S	S	*	*			trans	-99.5	43.1	-172.2	47.8	0	0	0	0	114.1	M724	S722-M724 PolarHBondContact O-N 2.84Å
723	C	33.4	Very low	32.1	Very low	97 Å²	97	145.8 Å²	145.8	66%	0.655	80%	0.804	S	S	*	*			trans	-90.9	90.5	-176.4	50.4	0	0	0	0	114.6	C721	C721-C723 VanDerWaalsContact SG-SG 3.69Å
724	M	29.6	Very low	31.7	Very low	183 Å²	183	144.7 Å²	144.7	90%	0.901	80%	0.803	S	S	*	*			trans	65.1	142.9	155.6	-73.3	-73.6	100.5	0	0	121	S722	S722-M724 PolarHBondContact O-N 2.84Å
725	S	30.1	Very low	31.1	Very low	124 Å²	124	148 Å²	148	87%	0.867	81%	0.814	S	S	*	*			trans	-114.4	140.1	172.4	178.9	0	0	0	0	109.5
726	G	29.5	Very low	30.3	Very low	72 Å²	72	151 Å²	151	74%	0.742	81%	0.805	S	S	*	*			trans	-167.7	123.8	177.8	0	0	0	0	0	113
727	R	28	Very low	29.9	Very low	258 Å²	258	149.4 Å²	149.4	97%	0.974	80%	0.8	S	S	*	*			trans	-96	126.1	170.2	-82.2	179	167.6	176.5	-3	109.7
728	V	27.2	Very low	29.1	Very low	146 Å²	146	150 Å²	150	89%	0.885	80%	0.799	S	S	*	*			trans	-134.4	152	160.8	-175.2	0	0	0	0	108.4
729	R	26.5	Very low	28.3	Very low	250 Å²	250	150 Å²	150	94%	0.943	80%	0.797	S	S	*	*			trans	-146.3	129.7	-168.5	-161.3	-174.4	-166	-164.6	4.8	110.3
730	G	25.7	Very low	28.3	Very low	69 Å²	69	144.5 Å²	144.5	71%	0.711	79%	0.79	S	S	*	*			trans	84	159.9	-176.6	0	0	0	0	0	113.4
731	N	23.7	Very low	28	Very low	164 Å²	164	145.8 Å²	145.8	88%	0.877	80%	0.796	S	S	*	*			cis	-139.4	-169.5	-2.2	-154.4	20	0	0	0	111.3
732	V	28	Very low	27.5	Very low	110 Å²	110	146 Å²	146	67%	0.667	80%	0.799	S	S	*	*			trans	-103.5	159.5	-166.1	-151.4	0	0	0	0	113.7
733	D	25.8	Very low	27	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	79%	0.791	S	S	*	*			trans	104.2	142.8	144.3	-73.9	-50.1	0	0	0	123.9
734	T	25	Very low	26.7	Very low	126 Å²	126	146.8 Å²	146.8	77%	0.773	80%	0.799	S	S	*	*			trans	84.1	134.3	154.1	29.3	0	0	0	0	125.2
735	L	25.9	Very low	26.5	Very low	165 Å²	165	143.5 Å²	143.5	86%	0.864	80%	0.795	S	S	*	*			trans	89.9	167.7	148.4	-111.8	69.4	0	0	0	122.5
736	E	24.1	Very low	26.4	Very low	144 Å²	144	144.2 Å²	144.2	67%	0.673	79%	0.793	S	S	*	*			trans	-115.3	-175.9	-146.8	-46.8	-177.7	121.1	0	0	115.5
737	R	25.9	Very low	26.2	Very low	203 Å²	203	147 Å²	147	77%	0.766	79%	0.791	S	S	*	*			trans	89.8	104.5	143.2	-81.1	171.9	-165.3	-138.6	-4.1	121.1
738	T	21.9	Very low	26	Very low	105 Å²	105	141.1 Å²	141.1	64%	0.644	78%	0.779	S	S	*	*				52	111	125.2	56.8	0	0	0	0	121.6
739	F	23.1	Very low	25.8	Very low	196 Å²	196	140.7 Å²	140.7	86%	0.86	78%	0.781	S	S	*	*			trans	57.4	167.7	134.6	-62.2	-63.9	0	0	0	120.3
740	P	37.8	Very low	25.6	Very low	113 Å²	113	133 Å²	133	73%	0.734	77%	0.765	S	S	*	*				-123.2	176.6	-53.8	38	-25.7	0	0	0	110.4
741	L	25.5	Very low	25.7	Very low	177 Å²	177	136 Å²	136	93%	0.927	77%	0.77	S	S	*	*			trans	-156.9	145.2	157.8	-114.6	167.7	0	0	0	111.2
742	S	23.1	Very low	25.7	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	76%	0.759	S	S	*	*			trans	-123.3	162.2	-175.8	62.1	0	0	0	0	111.9
743	S	27.8	Very low	25.4	Very low	106 Å²	106	137 Å²	137	74%	0.741	77%	0.77	S	S	*	*			trans	46.4	100.4	148.1	59.9	0	0	0	0	118.5
744	V	26.3	Very low	25.4	Very low	139 Å²	139	141.3 Å²	141.3	84%	0.842	78%	0.776	S	S	*	*			trans	-128.6	128	149.1	178.9	0	0	0	0	108.7
745	S	25.8	Very low	25.3	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	77%	0.772	S	S	*	*			trans	-84.4	143.1	173.7	52.1	0	0	0	0	111.4
746	V	27.9	Very low	25.2	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	78%	0.776	S	S	*	*			trans	-134	130.9	159.7	-169.4	0	0	0	0	108.1
747	N	24.9	Very low	25.2	Very low	130 Å²	130	143.4 Å²	143.4	70%	0.695	78%	0.783	S	S	*	*			trans	-120.7	169.1	175.1	-154	60.5	0	0	0	108.9
748	D	23.2	Very low	25.2	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	79%	0.788	S	S	*	*			trans	61.8	104.6	165.9	-56.5	-54.1	0	0	0	118.8
749	C	24	Very low	25.3	Very low	138 Å²	138	145.1 Å²	145.1	93%	0.932	80%	0.798	S	S	*	*			trans	-139.8	121.8	131.2	-166.3	0	0	0	0	108.7
750	S	23	Very low	25.4	Very low	87 Å²	87	143.9 Å²	143.9	61%	0.608	80%	0.795	S	S	*	*			trans	-137.7	169.2	-177.2	67.2	0	0	0	0	110.8
751	T	26.5	Very low	24.8	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	80%	0.799	S	S	*	*			trans	73.2	144.4	-177.3	76.4	0	0	0	0	115.8
752	S	24	Very low	25.1	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	78%	0.784	S	S	*	*			cis	-173.8	149.7	-23.8	51.5	0	0	0	0	109.9
753	F	22.6	Very low	25.4	Very low	203 Å²	203	142.2 Å²	142.2	89%	0.89	79%	0.791	S	S	*	*			trans	-161.6	176.4	131.4	-110.9	-69.9	0	0	0	110.8
754	R	24.6	Very low	25.3	Very low	231 Å²	231	145.2 Å²	145.2	87%	0.872	80%	0.797	S	S	*	*			trans	-112.7	146.5	-151.5	-72.1	178.7	170.6	162.5	-4.8	115.9
755	A	23.4	Very low	25.5	Very low	84 Å²	84	143.4 Å²	143.4	69%	0.694	79%	0.791	S	S	*	*			trans	36	127.5	136.3	0	0	0	0	0	121.3
756	F	24.8	Very low	26.4	Very low	217 Å²	217	142.9 Å²	142.9	95%	0.952	79%	0.785	S	S	*	*				-131.8	144.9	126.8	-111.3	-91.2	0	0	0	107.9
757	E	24	Very low	26.3	Very low	177 Å²	177	146.2 Å²	146.2	83%	0.827	79%	0.788	S	S	*	*			trans	-104.1	148.4	175.2	-65.1	173	117.1	0	0	109.4
758	D	25.3	Very low	26.5	Very low	163 Å²	163	149.6 Å²	149.6	87%	0.872	80%	0.797	S	S	*	*			trans	-161	164.2	150.6	-120.5	-31.9	0	0	0	111.3
759	E	23.6	Very low	26.7	Very low	182 Å²	182	153 Å²	153	85%	0.85	81%	0.805	S	S	*	*			trans	-82.6	163.2	-151.4	-59.6	-170.1	108.9	0	0	119
760	Q	26.2	Very low	26.9	Very low	169 Å²	169	155.3 Å²	155.3	79%	0.79	80%	0.802	S	S	*	*			trans	-79.9	166.9	158	-64	-178	-11.9	0	0	111.7
761	P	25.3	Very low	27.2	Very low	126 Å²	126	161.2 Å²	161.2	82%	0.818	81%	0.811	S	S	*	*			trans	-135.3	131.1	139.4	35.3	-24.2	0	0	0	114.5
762	P	31.7	Very low	27.3	Very low	95 Å²	95	161.8 Å²	161.8	62%	0.617	81%	0.809	S	S	*	*			trans	-111	135.6	175.3	36.9	-29.4	0	0	0	115.5
763	T	28.4	Very low	27.4	Very low	127 Å²	127	161.4 Å²	161.4	78%	0.779	82%	0.819	S	S	*	*			trans	68.4	166.3	149.2	68.6	0	0	0	0	122
764	L	26.4	Very low	27.6	Very low	168 Å²	168	155.8 Å²	155.8	88%	0.88	82%	0.819	S	S	*	*			trans	86.6	134.9	157.2	-70.4	162.1	0	0	0	122
765	S	29.1	Very low	27.7	Very low	102 Å²	102	152.7 Å²	152.7	71%	0.713	82%	0.816	S	S	*	*			trans	-116.2	-170.2	156.7	67.1	0	0	0	0	107.4
766	P	46.4	Very low	28	Very low	102 Å²	102	158.8 Å²	158.8	66%	0.662	82%	0.821	S	S	*	*			cis	-135.7	-171.2	-7.9	42.6	-26.1	0	0	0	113.6
767	K	25.5	Very low	28.1	Very low	210 Å²	210	155.5 Å²	155.5	91%	0.913	81%	0.814	S	S	*	*			trans	-179.9	170.4	131.2	-99.9	157.1	-173.1	169.2	0	116.7
768	K	29.1	Very low	28.3	Very low	201 Å²	201	152.4 Å²	152.4	87%	0.874	81%	0.811	S	S	*	*			trans	-109.8	155.9	-167.4	-60.2	171.7	174.2	175.1	0	115.2
769	K	26.2	Very low	29.3	Very low	206 Å²	206	149.6 Å²	149.6	90%	0.896	80%	0.802	S	S	*	*			trans	-173.9	153.6	139.2	-106.8	168.8	-177.8	175.4	0	107.6
770	Q	28.8	Very low	29.4	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	80%	0.797	S	S	*	*			cis	-133.9	-154	11.2	-58.1	169.6	-64.3	0	0	109.7
771	R	29.1	Very low	29.2	Very low	211 Å²	211	145.9 Å²	145.9	80%	0.796	80%	0.799	S	S	*	*				-158	139.8	-81.8	172	179.2	179	-172.3	4.7	110.2
772	N	28.2	Very low	29.3	Very low	145 Å²	145	145 Å²	145	78%	0.775	80%	0.796	S	S	*	*			trans	63.3	149.1	178.1	-59.8	2.6	0	0	0	115
773	G	28	Very low	29.8	Very low	84 Å²	84	145.6 Å²	145.6	87%	0.866	80%	0.799	S	S	*	*			cis	150.3	128.8	-12.2	0	0	0	0	0	112.7
774	G	25.5	Very low	29.8	Very low	85 Å²	85	148.8 Å²	148.8	88%	0.876	80%	0.802	S	S	*	*			trans	162.9	104.4	175.6	0	0	0	0	0	117.5
775	M	27.7	Very low	29.7	Very low	166 Å²	166	148.7 Å²	148.7	82%	0.818	80%	0.802	S	S	*	*			trans	-33.2	149.1	172.8	-72.5	174.1	167.6	0	0	122.5
776	R	29	Very low	29.5	Very low	213 Å²	213	151 Å²	151	80%	0.804	80%	0.803	S	S	*	*				93.7	141.4	128.4	-90.3	177.4	178.1	175.7	-1.5	123.5
777	N	26.1	Very low	28.5	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	81%	0.806	S	S	*	*			trans	83.8	120.1	151.3	-64.6	6	0	0	0	121.7
778	S	29.1	Very low	28.5	Very low	111 Å²	111	153 Å²	153	78%	0.776	80%	0.798	S	S	*	*			trans	-78.9	-175.8	152	-33.3	0	0	0	0	110.4
779	P	47	Very low	28.4	Very low	105 Å²	105	150.1 Å²	150.1	68%	0.682	79%	0.792	S	S	*	*			cis	-142.7	-172.7	4.1	42.6	-22.6	0	0	0	117.2
780	N	25.5	Very low	28.9	Very low	138 Å²	138	145.5 Å²	145.5	74%	0.738	78%	0.784	S	S	*	*			trans	83.2	136.6	142.1	-82.5	4.8	0	0	0	125
781	T	21.8	Very low	29	Very low	135 Å²	135	143.8 Å²	143.8	83%	0.828	78%	0.78	S	S	*	*			trans	79.3	144.8	142.2	44.9	0	0	0	0	123.2
782	S	27.5	Very low	28.9	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	78%	0.784	S	S	*	*			trans	-101.3	-166.3	175.8	59.2	0	0	0	0	109.7
783	P	42	Very low	29	Very low	106 Å²	106	142.5 Å²	142.5	69%	0.688	79%	0.786	S	S	*	*			cis	-148.7	178.1	14.7	45.2	-24	0	0	0	120.1
784	K	27.2	Very low	29.1	Very low	195 Å²	195	144.3 Å²	144.3	85%	0.848	78%	0.783	S	S	*	*			trans	36.6	125.5	144.6	-68.4	176.5	179.1	179.9	0	123.6
785	L	24.3	Very low	29.1	Very low	165 Å²	165	143.7 Å²	143.7	86%	0.864	78%	0.776	S	S	*	*				-167.9	133.7	123.1	-124.3	66.4	0	0	0	107.2
786	M	25.8	Very low	29.6	Very low	152 Å²	152	142 Å²	142	75%	0.749	77%	0.77	S	S	*	*				56.4	132.7	63.6	-98.1	-159.2	173.1	0	0	114.8
787	R	25.7	Very low	29.6	Very low	189 Å²	189	138.9 Å²	138.9	71%	0.713	77%	0.77	S	S	*	*			cis	-166.8	167.4	5.1	-166.9	179.4	-172.1	-178.9	4.2	111
788	H	25.5	Very low	30	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.755	77%	0.771	S	S	*	*			trans	111.6	123.1	157.2	-73.4	-83.2	0	0	0	120.4
789	D	27	Very low	30.3	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	76%	0.763	S	S	*	*			trans	-84.3	160.8	161.4	-130.3	-58.1	0	0	0	109.5	L791	D789-L791 PolarHBondContact OD1-N 2.92Å; D789-L791 VanDerWaalsContact OD1-N 3.17Å
790	P	36.7	Very low	29.7	Very low	110 Å²	110	142.8 Å²	142.8	71%	0.714	77%	0.769	S	S	*	*				-152.1	142.3	79.2	36.7	-15.9	0	0	0	119.3
791	L	31.5	Very low	30.1	Very low	149 Å²	149	142.2 Å²	142.2	78%	0.78	77%	0.766	S	S	*	*			trans	68.8	102.7	137.2	-64.6	170.6	0	0	0	120.8	D789	D789-L791 PolarHBondContact OD1-N 2.92Å; D789-L791 VanDerWaalsContact OD1-N 3.17Å
792	L	26.1	Very low	30.8	Very low	169 Å²	169	143.1 Å²	143.1	89%	0.885	76%	0.763	S	S	*	*				-174.1	124.1	102.7	-99.1	169.3	0	0	0	110.9
793	I	30.2	Very low	31.7	Very low	161 Å²	161	143 Å²	143	83%	0.826	75%	0.754	S	S	*	*			trans	-138.3	132.9	-178.2	-57.8	176.1	0	0	0	110.4
794	P	29.9	Very low	32.3	Very low	122 Å²	122	141.4 Å²	141.4	79%	0.792	75%	0.745	S	S	*	*			trans	-112.1	150.9	169.4	38	-29.2	0	0	0	114.1
795	G	26.4	Very low	34	Very low	72 Å²	72	137.2 Å²	137.2	74%	0.742	73%	0.732	S	S	*	*			trans	88.1	135.4	160.2	0	0	0	0	0	116.4
796	N	38.4	Very low	36.6	Very low	130 Å²	130	132.7 Å²	132.7	70%	0.695	71%	0.711	S	S	*	*			trans	-117.3	26.3	-171.3	-162.8	83.1	0	0	0	113.5
797	D	29.1	Very low	39.3	Very low	148 Å²	148	129.1 Å²	129.1	79%	0.791	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	13.2	-167	-56.7	-41.6	0	0	0	114.9
798	Q	33.3	Very low	42.2	Very low	173 Å²	173	124.2 Å²	124.2	81%	0.808	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-3.8	-173.1	-67.2	-165.2	-0.7	0	0	116
799	I	36.2	Very low	45.3	Very low	121 Å²	121	117.8 Å²	117.8	62%	0.621	65%	0.645	S	S	*	*	S	Bend	trans	-83	-43.1	-173.6	-62.9	178.3	0	0	0	112.1	N801	I799-N801 VanDerWaalsContact C-N 3.26Å; I799-N801 PolarHBondContact O-N 3.38Å
800	D	32.9	Very low	48.4	Very low	151 Å²	151	111.1 Å²	111.1	81%	0.807	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-18.5	-173.2	-64.9	-21.5	0	0	0	114.4	M802	D800-M802 PolarHBondContact O-N 2.94Å
801	N	33.9	Very low	50.8	Low	126 Å²	126	108.1 Å²	108.1	67%	0.674	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-8.1	-175.4	-101	-37	0	0	0	115	I799 S804	I799-N801 VanDerWaalsContact C-N 3.26Å; I799-N801 PolarHBondContact O-N 3.38Å; N801-S804 PolarHBondContact O-OG 2.91Å
802	M	36.5	Very low	53.5	Low	155 Å²	155	101.5 Å²	101.5	76%	0.764	56%	0.557	S	S	*	*	S	Bend	trans	-86.6	-33.7	177.4	-84.1	-72.9	177.4	0	0	113.4	D800 S804	D800-M802 PolarHBondContact O-N 2.94Å; M802-S804 VanDerWaalsContact C-N 3.27Å; M802-S804 PolarHBondContact O-N 2.88Å
803	D	46.4	Very low	56.5	Low	104 Å²	104	93.5 Å²	93.5	56%	0.556	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.8	-169.3	-153.5	56.6	0	0	0	114.3	K808	D803-K808 PolarHBondContact O-NZ 2.83Å; D803-K808 IonicContact OD1-NZ 3.45Å; D803-K808 IonicContact OD2-NZ 3.37Å; D803-K808 PolarHBondContact OD2-NZ 3.17Å
804	S	54.6	Low	59.3	Low	73 Å²	73	86.4 Å²	86.4	51%	0.51	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-27	178.7	59.3	0	0	0	0	113.9	N801 M802 V806	N801-S804 PolarHBondContact O-OG 2.91Å; M802-S804 VanDerWaalsContact C-N 3.27Å; M802-S804 PolarHBondContact O-N 2.88Å; S804-V806 VanDerWaalsContact C-N 3.32Å; S804-V806 PolarHBondContact O-N 3.26Å
805	N	63.6	Low	62.4	Low	108 Å²	108	80.6 Å²	80.6	58%	0.578	44%	0.44	S	S	*	.	S	Bend	trans	-82.6	-4.7	-178.6	-81.4	-52.5	0	0	0	114	K807	N805-K807 PolarHBondContact O-N 3.28Å
806	V	78.1	Confident	65.6	Low	69 Å²	69	77.5 Å²	77.5	42%	0.418	41%	0.407	S	S	.	.	S	Bend	trans	-76.3	117.4	-179	-173.7	0	0	0	0	110.4	S804 K808	S804-V806 VanDerWaalsContact C-N 3.32Å; S804-V806 PolarHBondContact O-N 3.26Å; V806-K808 HydrophobicContact CB-CD 4.39Å; V806-K808 HydrophobicContact CB-CG 4.37Å; V806-K808 HydrophobicContact CG1-CG 4.05Å; V806-K808 PolarHBondContact O-N 3.39Å
807	K	82.6	Confident	68.3	Low	77 Å²	77	73.2 Å²	73.2	34%	0.335	38%	0.381	S	S	.	.			trans	-65.8	99.1	172.1	-63.7	-168.5	167.9	-164.3	0	110.4	N805 W817 G1084 G1085 Y1086	N805-K807 PolarHBondContact O-N 3.28Å; K807-W817 HydrophobicContact CB-CE3 3.89Å; K807-W817 HydrophobicContact CB-CZ3 3.69Å; K807-W817 HydrophobicContact CD-CZ3 4.28Å; K807-G1084 WeakPolarHBondContact CD-O 3.43Å; K807-G1084 WeakPolarHBondContact CE-O 3.46Å; K807-G1084 PolarHBondContact NZ-O 2.95Å; K807-G1085 WeakPolarHBondContact CB-O 3.44Å; K807-G1085 WeakPolarHBondContact CG-O 3.17Å; K807-Y1086 HydrophobicContact CG-CD1 4.24Å; K807-Y1086 HydrophobicContact CG-CE1 4.15Å
808	K	87.1	Confident	71.3	Confident	86 Å²	86	67.4 Å²	67.4	37%	0.374	35%	0.351	S	S	.	.			trans	-100.1	-15.2	-177.6	-72.5	157.7	174.5	161	0	113	D803 V806 W817	D803-K808 PolarHBondContact O-NZ 2.83Å; D803-K808 IonicContact OD1-NZ 3.45Å; D803-K808 IonicContact OD2-NZ 3.37Å; D803-K808 PolarHBondContact OD2-NZ 3.17Å; V806-K808 HydrophobicContact CB-CD 4.39Å; V806-K808 HydrophobicContact CB-CG 4.37Å; V806-K808 HydrophobicContact CG1-CG 4.05Å; V806-K808 PolarHBondContact O-N 3.39Å; K808-W817 PolarHBondContact O-N 3.47Å
809	Y	91.3	Very high	74	Confident	29 Å²	29	62.1 Å²	62.1	11%	0.114	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	167.7	-177.6	-57.5	-75.4	0	0	0	111.5	F815 G1085 L1092 R1095	Y809-F815 WeakPolarHBondContact CA-O 3.16Å; Y809-G1085 PolarHBondContact O-N 2.86Å; Y809-L1092 HydrophobicContact CD2-CD2 4.34Å; Y809-L1092 HydrophobicContact CE2-CD2 3.86Å; Y809-R1095 PolarHBondContact OH-NH1 3.16Å
810	D	91	Very high	76.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	174.4	170.7	84.4	-71.9	0	0	0	112.3	T812 G813 M814 F815 L1082 R1083	D810-T812 VanDerWaalsContact C-N 3.27Å; D810-T812 PolarHBondContact O-N 3.31Å; D810-T812 PolarHBondContact OD1-OG1 2.95Å; D810-T812 WeakPolarHBondContact OD2-CA 3.46Å; D810-T812 WeakPolarHBondContact OD2-CB 3.43Å; D810-T812 PolarHBondContact OD2-N 2.83Å; D810-T812 PolarHBondContact OD2-OG1 3.42Å; D810-G813 PolarHBondContact O-N 2.83Å; D810-G813 WeakPolarHBondContact OD1-CA 3.08Å; D810-G813 PolarHBondContact OD1-N 2.99Å; D810-M814 PolarHBondContact OD1-N 2.74Å; D810-F815 PolarHBondContact N-O 2.93Å; D810-F815 PolarHBondContact OD1-N 3.4Å; D810-L1082 HydrophobicContact CB-CD1 3.87Å; D810-L1082 HydrophobicContact CB-CD2 4.08Å; D810-L1082 HydrophobicContact CB-CG 3.85Å; D810-R1083 CarbonylContact C-O 3.57Å; D810-R1083 WeakPolarHBondContact CA-O 3.46Å
811	S	88.6	Confident	79.6	Confident	48 Å²	48	56.3 Å²	56.3	34%	0.336	31%	0.309	S	S	.	.	S	Bend	trans	-59.7	-28.5	178.8	41.7	0	0	0	0	115.2	R1083	S811-R1083 PolarHBondContact N-O 2.92Å; S811-R1083 PolarHBondContact OG-O 3.46Å
812	T	87.8	Confident	82.4	Confident	10 Å²	10	56.2 Å²	56.2	6%	0.061	31%	0.305	C	S	.	.	S	Bend	trans	-89.5	-23.4	178.3	70.1	0	0	0	0	113.1	D810 M814 L1072 L1075 N1094	D810-T812 VanDerWaalsContact C-N 3.27Å; D810-T812 PolarHBondContact O-N 3.31Å; D810-T812 PolarHBondContact OD1-OG1 2.95Å; D810-T812 WeakPolarHBondContact OD2-CA 3.46Å; D810-T812 WeakPolarHBondContact OD2-CB 3.43Å; D810-T812 PolarHBondContact OD2-N 2.83Å; D810-T812 PolarHBondContact OD2-OG1 3.42Å; T812-M814 WeakPolarHBondContact OG1-CB 3.29Å; T812-M814 VanDerWaalsContact OG1-CG 3.26Å; T812-M814 WeakPolarHBondContact OG1-CG 3.42Å; T812-M814 PolarHBondContact OG1-N 2.9Å; T812-L1072 HydrophobicContact CG2-CB 4.28Å; T812-L1072 HydrophobicContact CG2-CD1 4.17Å; T812-L1075 HydrophobicContact CG2-CD1 3.75Å; T812-N1094 PolarHBondContact O-ND2 3.31Å
813	G	88.8	Confident	85.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	84.1	9	-174.7	0	0	0	0	0	114.3	D810 S867	D810-G813 PolarHBondContact O-N 2.83Å; D810-G813 WeakPolarHBondContact OD1-CA 3.08Å; D810-G813 PolarHBondContact OD1-N 2.99Å; G813-S867 WeakPolarHBondContact O-CB 3.46Å; G813-S867 PolarHBondContact O-OG 3.33Å
814	M	89.6	Confident	87.4	Confident	13 Å²	13	51.2 Å²	51.2	6%	0.064	28%	0.276	C	S	.	.	S	Bend	trans	-84.3	-21.1	-177.9	-61.3	-61.4	-83.8	0	0	112.9	D810 T812 S867 G1067 T1069 N1094 R1097	D810-M814 PolarHBondContact OD1-N 2.74Å; T812-M814 WeakPolarHBondContact OG1-CB 3.29Å; T812-M814 VanDerWaalsContact OG1-CG 3.26Å; T812-M814 WeakPolarHBondContact OG1-CG 3.42Å; T812-M814 PolarHBondContact OG1-N 2.9Å; M814-S867 VanDerWaalsContact C-OG 3.29Å; M814-S867 WeakPolarHBondContact CA-OG 3.33Å; M814-S867 WeakPolarHBondContact O-CB 3.32Å; M814-S867 PolarHBondContact O-N 3.06Å; M814-S867 PolarHBondContact O-OG 3.39Å; M814-S867 VanDerWaalsContact O-OG 3.08Å; M814-G1067 WeakPolarHBondContact CE-O 3.41Å; M814-T1069 HydrophobicContact CE-CG2 4.23Å; M814-N1094 HydrophobicContact SD-CB 3.89Å; M814-R1097 VanDerWaalsContact CE-CZ 3.44Å; M814-R1097 PolarHBondContact O-NH2 3.31Å; M814-R1097 VanDerWaalsContact O-NH2 3.15Å
815	F	94.1	Very high	89.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-137.6	151.6	-174.7	-62.1	-76.9	0	0	0	113.4	Y809 D810 M862 R865 A866 L1072 L1082	Y809-F815 WeakPolarHBondContact CA-O 3.16Å; D810-F815 PolarHBondContact N-O 2.93Å; D810-F815 PolarHBondContact OD1-N 3.4Å; F815-M862 HydrophobicContact CD1-CG 3.57Å; F815-M862 WeakPolarHBondContact CD1-O 3.25Å; F815-M862 HydrophobicContact CD2-CG 4.23Å; F815-M862 HydrophobicContact CD2-SD 4.41Å; F815-M862 HydrophobicContact CE1-CB 4.48Å; F815-M862 HydrophobicContact CE1-CG 3.33Å; F815-M862 WeakPolarHBondContact CE1-O 3.41Å; F815-M862 HydrophobicContact CE1-SD 4.34Å; F815-M862 HydrophobicContact CE2-CG 4.02Å; F815-M862 HydrophobicContact CE2-SD 4Å; F815-M862 HydrophobicContact CG-CG 4.03Å; F815-M862 HydrophobicContact CZ-CG 3.58Å; F815-M862 HydrophobicContact CZ-SD 3.97Å; F815-R865 WeakPolarHBondContact CA-O 3.26Å; F815-A866 HydrophobicContact CD1-CB 4.24Å; F815-A866 HydrophobicContact CE1-CB 4Å; F815-L1072 HydrophobicContact CD2-CD2 3.9Å; F815-L1072 HydrophobicContact CE2-CD2 3.5Å; F815-L1072 VanDerWaalsContact CE2-CD2 3.5Å; F815-L1082 HydrophobicContact CB-CD2 4.33Å
816	H	94.1	Very high	90.7	Very high	7 Å²	7	50 Å²	50	3%	0.032	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-74.8	134.9	172.4	-75.3	-116	0	0	0	110.5	R865 A866 S867 F869 H870 Y871 L874 P897	H816-R865 PolarHBondContact CD2-O 2.64Å; H816-R865 PolarHBondContact N-O 2.75Å; H816-A866 PolarHBondContact CD2-O 2.71Å; H816-A866 PolarHBondContact NE2-O 3.42Å; H816-S867 WeakPolarHBondContact NE2-CA 3.27Å; H816-F869 PolarHBondContact CE1-O 3.06Å; H816-F869 VanDerWaalsContact CE1-O 3.29Å; H816-F869 PolarHBondContact NE2-O 3.28Å; H816-H870 VanDerWaalsContact CE1-C 3.46Å; H816-Y871 WeakPolarHBondContact CE1-CA 3.42Å; H816-Y871 VanDerWaalsContact CE1-CB 3.5Å; H816-Y871 WeakPolarHBondContact CE1-CB 3.35Å; H816-Y871 PolarHBondContact CE1-N 3.37Å; H816-Y871 AromaticContact ND1-CD2 3.82Å; H816-L874 HydrophobicContact CB-CD1 4.28Å; H816-P897 HydrophobicContact CB-CG 4.01Å
817	W	94.5	Very high	91.5	Very high	40 Å²	40	48.6 Å²	48.6	15%	0.152	25%	0.247	C	C	.	.			trans	-129.7	146.3	-174	-175.4	93.9	0	0	0	111.2	K807 K808 A819 N895 L1082 G1084	K807-W817 HydrophobicContact CB-CE3 3.89Å; K807-W817 HydrophobicContact CB-CZ3 3.69Å; K807-W817 HydrophobicContact CD-CZ3 4.28Å; K808-W817 PolarHBondContact O-N 3.47Å; W817-A819 HydrophobicContact CH2-CB 4.48Å; W817-N895 PolarHBondContact NE1-ND2 3.39Å; W817-L1082 PolarHBondContact NE1-O 3.3Å; W817-G1084 VanDerWaalsContact CD2-CA 3.48Å
818	C	92.6	Very high	92.1	Very high	25 Å²	25	46.4 Å²	46.4	17%	0.169	24%	0.239	C	C	.	.			trans	-132.6	163	165	72.7	0	0	0	0	111.9	N895	C818-N895 PolarHBondContact N-O 3.28Å; C818-N895 PolarHBondContact O-ND2 3.13Å; C818-N895 VanDerWaalsContact SG-C 3.59Å; C818-N895 PolarHBondContact SG-O 3.04Å; C818-N895 VanDerWaalsContact SG-O 3.41Å
819	A	90.6	Very high	92.4	Very high	63 Å²	63	45.8 Å²	45.8	52%	0.521	24%	0.242	S	C	.	.			trans	-52.9	144.2	169.8	0	0	0	0	0	110.9	W817 K821	W817-A819 HydrophobicContact CH2-CB 4.48Å; A819-K821 PolarHBondContact O-N 3.39Å
820	P	91.8	Very high	92.5	Very high	85 Å²	85	50 Å²	50	55%	0.552	26%	0.258	S	S	*	.			trans	-61.4	134.6	-176.2	25.7	-34.6	0	0	0	111.1	H894	P820-H894 WeakPolarHBondContact CA-O 3.34Å
821	K	93	Very high	92.5	Very high	64 Å²	64	54 Å²	54	28%	0.278	29%	0.286	S	S	.	.			trans	-107.3	132.2	-179.1	-64.7	173.3	-173.7	159.8	0	111.8	A819 V826 W890 H894	A819-K821 PolarHBondContact O-N 3.39Å; K821-V826 HydrophobicContact CD-CG1 3.97Å; K821-W890 HydrophobicContact CB-CZ2 4.31Å; K821-W890 PolarHBondContact O-NE1 3.48Å; K821-H894 PolarHBondContact N-O 2.89Å; K821-H894 VanDerWaalsContact N-O 3.12Å
822	E	93.8	Very high	92.7	Very high	125 Å²	125	55.8 Å²	55.8	58%	0.584	29%	0.289	S	S	*	.			trans	-59.2	140.1	162.1	-64.5	153.9	165.9	0	0	109.7	E824 K825	E822-E824 VanDerWaalsContact C-N 3.26Å; E822-E824 PolarHBondContact O-N 3.11Å; E822-K825 HydrophobicContact CB-CD 4.38Å; E822-K825 WeakPolarHBondContact O-CB 3.43Å; E822-K825 PolarHBondContact O-N 3.49Å; E822-K825 WeakPolarHBondContact OE2-CE 3.5Å; E822-K825 IonicContact OE2-NZ 3.33Å; E822-K825 PolarHBondContact OE2-NZ 3.4Å
823	I	94.6	Very high	92.8	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.118	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-61.2	-34.1	-172.3	-161.7	174.2	0	0	0	112.9	K825 V826 I827 I883 K887 W890 I901	I823-K825 PolarHBondContact O-N 3.18Å; I823-V826 HydrophobicContact CG1-CG2 4.3Å; I823-V826 WeakPolarHBondContact O-CG2 3.22Å; I823-V826 PolarHBondContact O-N 3Å; I823-I827 HydrophobicContact CG1-CD1 4.16Å; I823-I827 HydrophobicContact CG1-CG1 4.31Å; I823-I827 HydrophobicContact CG2-CD1 4.31Å; I823-I827 WeakPolarHBondContact O-CG1 3.34Å; I823-I827 PolarHBondContact O-N 3.05Å; I823-I827 VanDerWaalsContact O-N 3.15Å; I823-I883 HydrophobicContact CD1-CD1 3.95Å; I823-K887 HydrophobicContact CD1-CG 3.69Å; I823-W890 HydrophobicContact CB-CD2 4.49Å; I823-W890 HydrophobicContact CB-CG 4.13Å; I823-W890 HydrophobicContact CD1-CB 4.03Å; I823-W890 HydrophobicContact CD1-CD2 4.43Å; I823-W890 HydrophobicContact CD1-CG 3.96Å; I823-W890 HydrophobicContact CG1-CD2 4.06Å; I823-W890 HydrophobicContact CG1-CG 3.92Å; I823-I901 HydrophobicContact CD1-CD1 3.96Å; I823-I901 HydrophobicContact CG1-CD1 3.86Å
824	E	93.4	Very high	92.7	Very high	130 Å²	130	57.6 Å²	57.6	61%	0.607	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-61.3	-15.8	177.1	-49.7	-56.2	146.5	0	0	113.4	E822	E822-E824 VanDerWaalsContact C-N 3.26Å; E822-E824 PolarHBondContact O-N 3.11Å
825	K	93.1	Very high	92.5	Very high	149 Å²	149	63.4 Å²	63.4	65%	0.648	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-88.6	-2.3	175.6	-68.3	169.6	172.3	158.5	0	113.9	E822 I823	E822-K825 HydrophobicContact CB-CD 4.38Å; E822-K825 WeakPolarHBondContact O-CB 3.43Å; E822-K825 PolarHBondContact O-N 3.49Å; E822-K825 WeakPolarHBondContact OE2-CE 3.5Å; E822-K825 IonicContact OE2-NZ 3.33Å; E822-K825 PolarHBondContact OE2-NZ 3.4Å; I823-K825 PolarHBondContact O-N 3.18Å
826	V	94.5	Very high	92.2	Very high	7 Å²	7	66.2 Å²	66.2	4%	0.042	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-13.5	176.5	-60.6	0	0	0	0	113.5	K821 I823 W890 V899 S900 I901	K821-V826 HydrophobicContact CD-CG1 3.97Å; I823-V826 HydrophobicContact CG1-CG2 4.3Å; I823-V826 WeakPolarHBondContact O-CG2 3.22Å; I823-V826 PolarHBondContact O-N 3Å; V826-W890 HydrophobicContact CB-CH2 4.15Å; V826-W890 HydrophobicContact CB-CZ2 4.36Å; V826-W890 HydrophobicContact CG1-CH2 3.86Å; V826-W890 HydrophobicContact CG1-CZ2 3.92Å; V826-W890 HydrophobicContact CG2-CH2 3.5Å; V826-W890 HydrophobicContact CG2-CZ2 3.54Å; V826-W890 HydrophobicContact CG2-CZ3 4Å; V826-V899 WeakPolarHBondContact CG1-O 3.37Å; V826-S900 CarbonylContact O-C 3.04Å; V826-S900 VanDerWaalsContact O-CA 3.29Å; V826-S900 WeakPolarHBondContact O-CA 3.43Å; V826-I901 HydrophobicContact CG2-CD1 4.03Å; V826-I901 HydrophobicContact CG2-CG1 4.31Å; V826-I901 PolarHBondContact O-N 3.4Å
827	I	95.6	Very high	91.7	Very high	39 Å²	39	71.6 Å²	71.6	20%	0.2	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-66.2	134.3	171	-69.2	167.5	0	0	0	109.3	I823 I883 I901 P903	I823-I827 HydrophobicContact CG1-CD1 4.16Å; I823-I827 HydrophobicContact CG1-CG1 4.31Å; I823-I827 HydrophobicContact CG2-CD1 4.31Å; I823-I827 WeakPolarHBondContact O-CG1 3.34Å; I823-I827 PolarHBondContact O-N 3.05Å; I823-I827 VanDerWaalsContact O-N 3.15Å; I827-I883 HydrophobicContact CD1-CD1 3.79Å; I827-I883 HydrophobicContact CD1-CG1 4.39Å; I827-I883 HydrophobicContact CG1-CD1 4.13Å; I827-I901 CarbonylContact C-O 3.54Å; I827-I901 WeakPolarHBondContact CA-O 3.25Å; I827-I901 HydrophobicContact CG1-CB 4.33Å; I827-I901 HydrophobicContact CG1-CG2 4.44Å; I827-P903 HydrophobicContact CG2-CG 4.2Å
828	L	93.9	Very high	91.4	Very high	31 Å²	31	70.3 Å²	70.3	16%	0.162	38%	0.38	C	S	.	.			trans	-122	134.4	173.3	-59.3	177.1	0	0	0	108.8	E832 A833 I901 L902 P903	L828-E832 HydrophobicContact CB-CB 4.47Å; L828-E832 HydrophobicContact CD2-CB 4.41Å; L828-A833 HydrophobicContact CB-CB 4.49Å; L828-I901 PolarHBondContact N-O 2.93Å; L828-L902 VanDerWaalsContact O-CD1 3.3Å; L828-L902 WeakPolarHBondContact O-CD1 3.49Å; L828-P903 WeakPolarHBondContact O-CD 3.38Å
829	T	94	Very high	91.3	Very high	73 Å²	73	72 Å²	72	45%	0.448	39%	0.392	S	S	.	.			trans	-70.9	161.3	163	64.3	0	0	0	0	110.6	S831 E832 A833	T829-S831 PolarHBondContact O-N 3.15Å; T829-S831 VanDerWaalsContact O-N 3.12Å; T829-E832 VanDerWaalsContact CB-OE2 3.24Å; T829-E832 WeakPolarHBondContact CB-OE2 3.47Å; T829-E832 VanDerWaalsContact CG2-OE2 3.29Å; T829-E832 WeakPolarHBondContact CG2-OE2 3.45Å; T829-E832 PolarHBondContact N-OE2 3.25Å; T829-E832 PolarHBondContact O-N 3.32Å; T829-E832 VanDerWaalsContact OG1-CD 3.27Å; T829-E832 WeakPolarHBondContact OG1-CG 3.43Å; T829-E832 PolarHBondContact OG1-N 3.31Å; T829-E832 PolarHBondContact OG1-OE2 3.21Å; T829-A833 PolarHBondContact O-N 2.76Å
830	R	93.1	Very high	91.4	Very high	119 Å²	119	70.2 Å²	70.2	45%	0.449	38%	0.38	S	S	.	.	H	α-helix	trans	-51.9	-35.6	175	-168	-176.8	-67.5	156.7	-0.6	112.8	A834 D911 A914	R830-A834 WeakPolarHBondContact O-CB 3.24Å; R830-A834 PolarHBondContact O-N 2.79Å; R830-A834 VanDerWaalsContact O-N 3.12Å; R830-D911 IonicContact CZ-OD1 2.72Å; R830-D911 VanDerWaalsContact CZ-OD1 3.22Å; R830-D911 IonicContact CZ-OD2 3.51Å; R830-D911 IonicContact NE-OD1 2.73Å; R830-D911 PolarHBondContact NE-OD1 3.32Å; R830-D911 IonicContact NE-OD2 3.63Å; R830-D911 IonicContact NH2-OD1 3.94Å; R830-D911 PolarHBondContact NH2-OD1 3.15Å; R830-D911 IonicContact NH2-OD2 3.01Å; R830-D911 PolarHBondContact NH2-OD2 3.21Å; R830-A914 HydrophobicContact CB-CB 4.45Å; R830-A914 HydrophobicContact CG-CB 3.4Å; R830-A914 VanDerWaalsContact CG-CB 3.4Å
831	S	91.4	Very high	91.5	Very high	84 Å²	84	66.3 Å²	66.3	59%	0.587	35%	0.354	S	S	*	.	H	α-helix	trans	-72	-40.1	177.5	-55.9	0	0	0	0	112.7	T829 A834 M835	T829-S831 PolarHBondContact O-N 3.15Å; T829-S831 VanDerWaalsContact O-N 3.12Å; S831-A834 PolarHBondContact O-N 3.03Å; S831-M835 WeakPolarHBondContact O-CG 3.41Å; S831-M835 PolarHBondContact O-N 3.38Å
832	E	92	Very high	91.8	Very high	85 Å²	85	63.2 Å²	63.2	40%	0.397	34%	0.341	S	S	.	.	H	α-helix	trans	-72.6	-35.5	178.5	-69.2	157.6	140.1	0	0	112	L828 T829 M835 T836	L828-E832 HydrophobicContact CB-CB 4.47Å; L828-E832 HydrophobicContact CD2-CB 4.41Å; T829-E832 VanDerWaalsContact CB-OE2 3.24Å; T829-E832 WeakPolarHBondContact CB-OE2 3.47Å; T829-E832 VanDerWaalsContact CG2-OE2 3.29Å; T829-E832 WeakPolarHBondContact CG2-OE2 3.45Å; T829-E832 PolarHBondContact N-OE2 3.25Å; T829-E832 PolarHBondContact O-N 3.32Å; T829-E832 VanDerWaalsContact OG1-CD 3.27Å; T829-E832 WeakPolarHBondContact OG1-CG 3.43Å; T829-E832 PolarHBondContact OG1-N 3.31Å; T829-E832 PolarHBondContact OG1-OE2 3.21Å; E832-M835 HydrophobicContact CB-CE 4.49Å; E832-M835 HydrophobicContact CG-CE 4Å; E832-M835 PolarHBondContact O-N 2.82Å; E832-T836 WeakPolarHBondContact O-CB 3.5Å; E832-T836 PolarHBondContact O-N 3.38Å; E832-T836 PolarHBondContact O-OG1 3.4Å
833	A	90.4	Very high	92	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-49.7	168.1	0	0	0	0	0	110.8	L828 T829 M835 T836 A914	L828-A833 HydrophobicContact CB-CB 4.49Å; T829-A833 PolarHBondContact O-N 2.76Å; A833-M835 VanDerWaalsContact C-N 3.28Å; A833-M835 PolarHBondContact O-N 3Å; A833-T836 WeakPolarHBondContact O-CA 3.47Å; A833-T836 WeakPolarHBondContact O-CB 3.49Å; A833-T836 PolarHBondContact O-N 3.18Å; A833-A914 CarbonylContact C-O 3.59Å; A833-A914 VanDerWaalsContact C-O 3.22Å; A833-A914 HydrophobicContact CB-CB 4.34Å; A833-A914 WeakPolarHBondContact CB-O 3.15Å
834	A	87.1	Confident	92.2	Very high	45 Å²	45	56.2 Å²	56.2	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-68.6	-20.5	179	0	0	0	0	0	114.7	R830 S831 A914	R830-A834 WeakPolarHBondContact O-CB 3.24Å; R830-A834 PolarHBondContact O-N 2.79Å; R830-A834 VanDerWaalsContact O-N 3.12Å; S831-A834 PolarHBondContact O-N 3.03Å; A834-A914 HydrophobicContact CB-CB 4.48Å; A834-A914 PolarHBondContact N-O 2.97Å
835	M	85.7	Confident	92.4	Very high	135 Å²	135	50 Å²	50	67%	0.665	28%	0.279	S	S	*	.	H	α-helix	trans	-82	-17.9	168.4	-72.1	-172.4	-62	0	0	113	S831 E832 A833	S831-M835 WeakPolarHBondContact O-CG 3.41Å; S831-M835 PolarHBondContact O-N 3.38Å; E832-M835 HydrophobicContact CB-CE 4.49Å; E832-M835 HydrophobicContact CG-CE 4Å; E832-M835 PolarHBondContact O-N 2.82Å; A833-M835 VanDerWaalsContact C-N 3.28Å; A833-M835 PolarHBondContact O-N 3Å
836	T	87.2	Confident	92.5	Very high	59 Å²	59	43 Å²	43	36%	0.362	25%	0.249	S	C	.	.	S	Bend	trans	-91.7	111.4	179.5	-55.2	0	0	0	0	109.3	E832 A833 L838	E832-T836 WeakPolarHBondContact O-CB 3.5Å; E832-T836 PolarHBondContact O-N 3.38Å; E832-T836 PolarHBondContact O-OG1 3.4Å; A833-T836 WeakPolarHBondContact O-CA 3.47Å; A833-T836 WeakPolarHBondContact O-CB 3.49Å; A833-T836 PolarHBondContact O-N 3.18Å; T836-L838 VanDerWaalsContact C-N 3.3Å; T836-L838 HydrophobicContact CG2-CD2 3.92Å; T836-L838 HydrophobicContact CG2-CG 3.93Å; T836-L838 PolarHBondContact O-N 2.9Å
837	V	84.4	Confident	92.5	Very high	121 Å²	121	43.3 Å²	43.3	73%	0.733	25%	0.249	S	C	*	.			trans	-72.8	86.6	179.6	-175.3	0	0	0	0	110
838	L	87.1	Confident	92.2	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.063	24%	0.243	C	C	.	.			trans	-88.1	119.2	176.7	-65.5	169.8	0	0	0	110	T836 V878	T836-L838 VanDerWaalsContact C-N 3.3Å; T836-L838 HydrophobicContact CG2-CD2 3.92Å; T836-L838 HydrophobicContact CG2-CG 3.93Å; T836-L838 PolarHBondContact O-N 2.9Å; L838-V878 HydrophobicContact CD1-CG2 3.87Å
839	S	91.3	Very high	91.8	Very high	60 Å²	60	44 Å²	44	42%	0.42	26%	0.255	S	S	.	.			trans	-150.3	146.4	175.9	-177.9	0	0	0	0	108.5	L919	S839-L919 WeakPolarHBondContact CA-O 3.15Å
840	G	91.5	Very high	91.6	Very high	27 Å²	27	45.7 Å²	45.7	28%	0.278	27%	0.265	S	S	.	.	S	Bend	trans	66.3	40.3	-174.1	0	0	0	0	0	112.7	L919 D921	G840-L919 PolarHBondContact N-O 3.04Å; G840-L919 VanDerWaalsContact N-O 3.08Å; G840-D921 WeakPolarHBondContact CA-OD1 3.5Å
841	H	95.6	Very high	91.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	165.3	-168.6	78.1	-83.1	0	0	0	111.8	V843 H876 V915 L919 C920 D921	H841-V843 VanDerWaalsContact NE2-CG2 3.25Å; H841-V843 WeakPolarHBondContact NE2-CG2 3.39Å; H841-H876 HydrophobicContact CB-CB 4.26Å; H841-H876 WeakPolarHBondContact CB-O 3.3Å; H841-V915 PolarHBondContact CE1-O 2.97Å; H841-V915 PolarHBondContact NE2-O 2.76Å; H841-V915 VanDerWaalsContact NE2-O 3.17Å; H841-L919 PolarHBondContact ND1-O 3.33Å; H841-C920 CarbonylContact O-C 3.59Å; H841-C920 VanDerWaalsContact O-CA 3.28Å; H841-C920 WeakPolarHBondContact O-CA 3.42Å; H841-C920 WeakPolarHBondContact O-CB 3.25Å; H841-D921 PolarHBondContact O-N 3.17Å
842	V	98	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126	178.1	-178.8	0	0	0	0	109.3	C563 V844 K875 H876 I877 V878 M922 V924	C563-V842 HydrophobicContact CB-CG2 4.09Å; V842-V844 HydrophobicContact CG1-CG2 3.98Å; V842-K875 HydrophobicContact CG2-CB 4.15Å; V842-K875 HydrophobicContact CG2-CD 4.1Å; V842-H876 PolarHBondContact N-O 3.25Å; V842-I877 HydrophobicContact CB-CG1 4.4Å; V842-I877 WeakPolarHBondContact O-CA 3.39Å; V842-V878 PolarHBondContact O-N 2.97Å; V842-M922 WeakPolarHBondContact CA-O 3.21Å; V842-V924 HydrophobicContact CG1-CG2 4.09Å
843	V	97.9	Very high	90.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	171.4	-178.1	0	0	0	0	107.9	H841 V880 V915 C920 M922 C923 V924	H841-V843 VanDerWaalsContact NE2-CG2 3.25Å; H841-V843 WeakPolarHBondContact NE2-CG2 3.39Å; V843-V880 HydrophobicContact CG1-CG2 3.94Å; V843-V915 HydrophobicContact CG1-CG2 4.24Å; V843-V915 HydrophobicContact CG2-CB 4.48Å; V843-V915 HydrophobicContact CG2-CG2 3.9Å; V843-C920 HydrophobicContact CG2-CB 3.95Å; V843-M922 PolarHBondContact N-O 2.98Å; V843-C923 CarbonylContact O-C 3.57Å; V843-C923 WeakPolarHBondContact O-CA 3.48Å; V843-V924 PolarHBondContact O-N 2.95Å
844	V	98.1	Very high	90.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	102.5	178	-172.6	0	0	0	0	108.8	V842 I846 L860 I877 V878 F879 V880 V924 L926	V842-V844 HydrophobicContact CG1-CG2 3.98Å; V844-I846 HydrophobicContact CG1-CD1 4.21Å; V844-I846 HydrophobicContact CG1-CG1 4.08Å; V844-L860 HydrophobicContact CB-CD2 4.43Å; V844-L860 HydrophobicContact CG1-CD2 3.72Å; V844-L860 HydrophobicContact CG2-CD2 3.79Å; V844-I877 HydrophobicContact CG2-CG2 4.02Å; V844-V878 PolarHBondContact N-O 2.89Å; V844-F879 HydrophobicContact CB-CD1 3.64Å; V844-F879 HydrophobicContact CB-CE1 3.88Å; V844-F879 HydrophobicContact CG1-CD1 3.85Å; V844-F879 HydrophobicContact CG1-CE1 3.87Å; V844-F879 HydrophobicContact CG2-CD1 4.31Å; V844-F879 HydrophobicContact CG2-CE1 4.16Å; V844-F879 WeakPolarHBondContact O-CA 3.19Å; V844-V880 PolarHBondContact O-N 2.86Å; V844-V924 CarbonylContact C-O 3.54Å; V844-V924 WeakPolarHBondContact CA-O 3Å; V844-V924 HydrophobicContact CG1-CB 4.31Å; V844-V924 HydrophobicContact CG1-CG1 4.4Å; V844-V924 HydrophobicContact CG2-CB 4.33Å; V844-L926 HydrophobicContact CG1-CD1 4.08Å
845	C	97.6	Very high	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.4	177	-71.2	0	0	0	0	109.8	P906 V924 I925 L926	C845-P906 HydrophobicContact CB-CB 3.68Å; C845-P906 HydrophobicContact CB-CG 3.58Å; C845-V924 PolarHBondContact N-O 3.17Å; C845-I925 HydrophobicContact CB-CG1 4.2Å; C845-L926 PolarHBondContact O-N 3.04Å
846	I	96.1	Very high	91.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.8	-176.6	-64.7	161.8	0	0	0	110.1	V844 L857 F879 V880 Y885 L886	V844-I846 HydrophobicContact CG1-CD1 4.21Å; V844-I846 HydrophobicContact CG1-CG1 4.08Å; I846-L857 HydrophobicContact CD1-CD1 3.59Å; I846-L857 HydrophobicContact CD1-CD2 3.89Å; I846-L857 HydrophobicContact CD1-CG 4.4Å; I846-F879 HydrophobicContact CD1-CD1 3.53Å; I846-F879 HydrophobicContact CD1-CE1 4.11Å; I846-F879 HydrophobicContact CD1-CG 4.42Å; I846-V880 PolarHBondContact N-O 3.22Å; I846-Y885 HydrophobicContact CG2-CD1 3.94Å; I846-Y885 HydrophobicContact CG2-CE1 4Å; I846-L886 HydrophobicContact CD1-CD2 3.85Å
847	F	93.9	Very high	91.5	Very high	13 Å²	13	29.9 Å²	29.9	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.4	164.5	-66.5	-79.3	0	0	0	109.2	P906 L907 I925 L926 A928 E942 A946	F847-P906 HydrophobicContact CE1-CB 4.35Å; F847-P906 HydrophobicContact CE1-CG 4.28Å; F847-P906 HydrophobicContact CE2-CB 4.03Å; F847-P906 HydrophobicContact CE2-CG 4.09Å; F847-P906 HydrophobicContact CZ-CB 3.69Å; F847-P906 HydrophobicContact CZ-CG 3.94Å; F847-L907 HydrophobicContact CE1-CD1 4.15Å; F847-L907 HydrophobicContact CE1-CD2 4.38Å; F847-L907 HydrophobicContact CE1-CG 3.88Å; F847-L907 HydrophobicContact CZ-CD2 3.97Å; F847-L907 HydrophobicContact CZ-CG 3.92Å; F847-I925 HydrophobicContact CE2-CG2 4.23Å; F847-L926 PolarHBondContact N-O 2.68Å; F847-A928 WeakPolarHBondContact O-CB 3.48Å; F847-A928 PolarHBondContact O-N 3.31Å; F847-E942 HydrophobicContact CB-CB 4.46Å; F847-E942 HydrophobicContact CD1-CB 3.85Å; F847-E942 HydrophobicContact CD1-CG 4.5Å; F847-E942 HydrophobicContact CD2-CB 3.96Å; F847-E942 HydrophobicContact CE1-CB 4.01Å; F847-E942 HydrophobicContact CE2-CB 4.11Å; F847-E942 WeakPolarHBondContact CE2-O 3.2Å; F847-E942 HydrophobicContact CG-CB 3.82Å; F847-E942 HydrophobicContact CZ-CB 4.13Å; F847-A946 HydrophobicContact CE2-CB 3.78Å; F847-A946 HydrophobicContact CZ-CB 3.88Å
848	G	89.4	Confident	92	Very high	7 Å²	7	24.6 Å²	24.6	7%	0.072	16%	0.16	C	C	.	.			trans	-172	153.3	-177.1	0	0	0	0	0	111.7	S882	G848-S882 VanDerWaalsContact O-CB 3.25Å; G848-S882 WeakPolarHBondContact O-CB 3.25Å
849	D	86.4	Confident	92.4	Very high	78 Å²	78	24.5 Å²	24.5	42%	0.417	16%	0.16	S	C	.	.			trans	-130.4	179.1	-165.5	-77.1	-64.1	0	0	0	111.7	S851 S852 R888 N929	D849-S851 PolarHBondContact O-N 3.41Å; D849-S852 PolarHBondContact N-OG 2.93Å; D849-S852 PolarHBondContact O-N 2.82Å; D849-S852 PolarHBondContact O-OG 2.96Å; D849-R888 PolarHBondContact O-NH1 3.46Å; D849-N929 PolarHBondContact OD2-ND2 3.44Å; D849-N929 PolarHBondContact OD2-OD1 2.89Å
850	V	88.3	Confident	92.6	Very high	108 Å²	108	21.7 Å²	21.7	66%	0.655	14%	0.14	S	C	*	.	S	Bend	trans	-58.5	-35.2	175.9	-169.6	0	0	0	0	111.8	E884 R888	V850-E884 HydrophobicContact CG2-CB 3.91Å; V850-E884 HydrophobicContact CG2-CG 4.31Å; V850-R888 PolarHBondContact O-NH1 2.94Å
851	S	86.7	Confident	92.9	Very high	100 Å²	100	20.4 Å²	20.4	70%	0.699	13%	0.127	S	C	*	.	S	Bend	trans	-97.7	-8.2	-176.2	51.1	0	0	0	0	115	D849	D849-S851 PolarHBondContact O-N 3.41Å
852	S	87.4	Confident	92.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	13%	0.128	C	C	.	.	S	Bend	trans	-70.9	153.3	-177.4	71.8	0	0	0	0	111.6	D849 Y885 R888 A928 N929	D849-S852 PolarHBondContact N-OG 2.93Å; D849-S852 PolarHBondContact O-N 2.82Å; D849-S852 PolarHBondContact O-OG 2.96Å; S852-Y885 VanDerWaalsContact OG-CD2 3.26Å; S852-Y885 WeakPolarHBondContact OG-CD2 3.31Å; S852-Y885 WeakPolarHBondContact OG-CE2 3.43Å; S852-R888 VanDerWaalsContact O-CZ 3.27Å; S852-R888 PolarHBondContact O-NH1 2.68Å; S852-R888 PolarHBondContact O-NH2 3.08Å; S852-A928 WeakPolarHBondContact OG-CB 3.36Å; S852-N929 VanDerWaalsContact CB-OD1 3.28Å; S852-N929 WeakPolarHBondContact CB-OD1 3.38Å
853	A	86.6	Confident	92.6	Very high	22 Å²	22	21 Å²	21	18%	0.182	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-62	157.8	172.8	0	0	0	0	0	111.1	P498 Y885	P498-A853 HydrophobicContact CG-CB 3.84Å; A853-Y885 WeakPolarHBondContact O-CE2 3.49Å
854	L	89.4	Confident	92.5	Very high	50 Å²	50	21.2 Å²	21.2	26%	0.262	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-77.5	142	172.1	-61.5	178.2	0	0	0	110	Q527 Y885 R888 E889	Q527-L854 PolarHBondContact NE2-O 3.49Å; L854-Y885 WeakPolarHBondContact CA-OH 3.2Å; L854-Y885 HydrophobicContact CD2-CE2 4.31Å; L854-R888 HydrophobicContact CD2-CB 3.92Å; L854-E889 HydrophobicContact CD2-CG 4.21Å
855	I	89.7	Confident	92.4	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.051	13%	0.131	C	C	.	.			trans	-90.2	-24.9	172.5	-43.1	177.1	0	0	0	110.3	L556 Y885 E889 L926 A928	L556-I855 HydrophobicContact CD1-CG2 3.99Å; L556-I855 HydrophobicContact CD2-CG2 4.18Å; L556-I855 HydrophobicContact CG-CG2 4.38Å; I855-Y885 PolarHBondContact N-OH 2.87Å; I855-E889 PolarHBondContact N-OE1 3.03Å; I855-E889 VanDerWaalsContact N-OE1 3.13Å; I855-L926 HydrophobicContact CD1-CB 3.98Å; I855-L926 HydrophobicContact CD1-CD1 4.43Å; I855-A928 HydrophobicContact CD1-CB 3.94Å; I855-A928 HydrophobicContact CG1-CB 3.84Å
856	G	92	Very high	92.2	Very high	13 Å²	13	21.3 Å²	21.3	13%	0.134	13%	0.132	C	C	.	.			trans	79.2	56.6	-177.6	0	0	0	0	0	111.6	L556 R858 N859 E889	L556-G856 WeakPolarHBondContact CD1-O 3.38Å; G856-R858 PolarHBondContact O-N 3.35Å; G856-N859 PolarHBondContact O-N 2.93Å; G856-E889 WeakPolarHBondContact CA-OE2 3.46Å; G856-E889 PolarHBondContact N-OE1 2.91Å
857	L	95.1	Very high	92	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.3	-173.7	-65.1	173.5	0	0	0	113.7	I846 N859 L860 V861 F879 Y885 L886 E889 L893 L926	I846-L857 HydrophobicContact CD1-CD1 3.59Å; I846-L857 HydrophobicContact CD1-CD2 3.89Å; I846-L857 HydrophobicContact CD1-CG 4.4Å; L857-N859 PolarHBondContact O-N 3Å; L857-N859 VanDerWaalsContact O-N 3.15Å; L857-L860 WeakPolarHBondContact O-CB 3.28Å; L857-L860 PolarHBondContact O-N 2.84Å; L857-V861 PolarHBondContact O-N 3.04Å; L857-V861 VanDerWaalsContact O-N 3.09Å; L857-F879 HydrophobicContact CB-CZ 4.47Å; L857-F879 HydrophobicContact CD1-CD1 4.35Å; L857-F879 HydrophobicContact CD1-CE1 3.95Å; L857-F879 HydrophobicContact CD1-CZ 4.37Å; L857-F879 HydrophobicContact CD2-CE1 4.27Å; L857-F879 HydrophobicContact CG-CE1 4.49Å; L857-Y885 HydrophobicContact CD1-CE1 4.35Å; L857-L886 HydrophobicContact CD1-CD2 3.83Å; L857-E889 HydrophobicContact CD1-CB 4.02Å; L857-E889 HydrophobicContact CD1-CG 3.78Å; L857-E889 HydrophobicContact CG-CG 4.12Å; L857-E889 PolarHBondContact N-OE2 2.85Å; L857-L893 HydrophobicContact CB-CD1 4.15Å; L857-L893 HydrophobicContact CB-CD2 4.25Å; L857-L893 HydrophobicContact CD1-CD1 4.34Å; L857-L926 HydrophobicContact CD2-CD1 3.97Å
858	R	93.9	Very high	91.8	Very high	11 Å²	11	21 Å²	21	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-43.3	-41.3	165.9	-173.7	-171.2	-168.9	158.6	8.3	112.7	G856 L860 V861 M862 F896 N1080	G856-R858 PolarHBondContact O-N 3.35Å; R858-L860 VanDerWaalsContact C-N 3.3Å; R858-L860 PolarHBondContact O-N 3.32Å; R858-V861 PolarHBondContact O-N 3.01Å; R858-M862 HydrophobicContact CG-CE 4.14Å; R858-M862 WeakPolarHBondContact O-CB 3.31Å; R858-M862 PolarHBondContact O-N 2.86Å; R858-F896 HydrophobicContact CG-CE2 4.47Å; R858-N1080 VanDerWaalsContact CZ-O 3.3Å; R858-N1080 PolarHBondContact NH1-O 2.95Å; R858-N1080 PolarHBondContact NH1-OD1 2.87Å; R858-N1080 VanDerWaalsContact NH1-OD1 3.14Å; R858-N1080 PolarHBondContact NH2-O 2.94Å; R858-N1080 VanDerWaalsContact NH2-O 3.14Å
859	N	94.9	Very high	91.9	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.053	13%	0.132	C	C	.	.	H	α-helix	trans	-73	-21.6	-176.9	-60	-27.4	0	0	0	113	L556 G856 L857 P863	L556-N859 HydrophobicContact CB-CB 3.91Å; L556-N859 HydrophobicContact CD1-CB 4Å; G856-N859 PolarHBondContact O-N 2.93Å; L857-N859 PolarHBondContact O-N 3Å; L857-N859 VanDerWaalsContact O-N 3.15Å; N859-P863 WeakPolarHBondContact O-CD 3.45Å; N859-P863 WeakPolarHBondContact O-CG 3.33Å
860	L	96.7	Very high	92.2	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-82	-41.4	171.4	-174.4	72.5	0	0	0	111.1	L556 I559 A560 V844 L857 R858 L926	L556-L860 HydrophobicContact CB-CB 4.09Å; L556-L860 HydrophobicContact CD1-CB 4.35Å; L556-L860 HydrophobicContact CD2-CB 4.39Å; L556-L860 WeakPolarHBondContact O-CD1 3.36Å; I559-L860 HydrophobicContact CB-CD1 4.21Å; I559-L860 HydrophobicContact CG2-CD1 3.74Å; A560-L860 HydrophobicContact CB-CD1 4.12Å; A560-L860 WeakPolarHBondContact CB-O 3.41Å; V844-L860 HydrophobicContact CB-CD2 4.43Å; V844-L860 HydrophobicContact CG1-CD2 3.72Å; V844-L860 HydrophobicContact CG2-CD2 3.79Å; L857-L860 WeakPolarHBondContact O-CB 3.28Å; L857-L860 PolarHBondContact O-N 2.84Å; R858-L860 VanDerWaalsContact C-N 3.3Å; R858-L860 PolarHBondContact O-N 3.32Å; L860-L926 HydrophobicContact CD2-CD1 4.34Å
861	V	96.5	Very high	92.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-78	-37.7	-175.3	179.5	0	0	0	0	112.3	L857 R858 L864 R865 I877 F879 L893 F896 V899	L857-V861 PolarHBondContact O-N 3.04Å; L857-V861 VanDerWaalsContact O-N 3.09Å; R858-V861 PolarHBondContact O-N 3.01Å; V861-L864 CarbonylContact O-C 3.57Å; V861-L864 PolarHBondContact O-N 2.83Å; V861-R865 HydrophobicContact CG1-CG 3.93Å; V861-R865 VanDerWaalsContact O-CG 3.28Å; V861-R865 WeakPolarHBondContact O-CG 3.21Å; V861-R865 PolarHBondContact O-N 3.14Å; V861-R865 VanDerWaalsContact O-N 3.14Å; V861-I877 HydrophobicContact CB-CD1 4.45Å; V861-I877 HydrophobicContact CG1-CD1 4.12Å; V861-I877 HydrophobicContact CG2-CD1 4.14Å; V861-F879 HydrophobicContact CG2-CE2 4.32Å; V861-F879 HydrophobicContact CG2-CZ 3.71Å; V861-L893 HydrophobicContact CB-CD2 4.25Å; V861-L893 HydrophobicContact CG2-CD2 3.91Å; V861-F896 HydrophobicContact CB-CD2 4.21Å; V861-F896 HydrophobicContact CB-CE2 4.36Å; V861-F896 HydrophobicContact CG1-CB 3.82Å; V861-F896 HydrophobicContact CG1-CD1 4.11Å; V861-F896 HydrophobicContact CG1-CD2 3.5Å; V861-F896 HydrophobicContact CG1-CE2 4.04Å; V861-F896 HydrophobicContact CG1-CG 3.54Å; V861-V899 HydrophobicContact CG1-CG2 4.42Å
862	M	93.7	Very high	92.5	Very high	9 Å²	9	21.3 Å²	21.3	4%	0.044	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-49.2	-175.2	179.9	176.6	-67.3	0	0	113.1	F815 R858 L864 R865 A866 F896 I1076	F815-M862 HydrophobicContact CD1-CG 3.57Å; F815-M862 WeakPolarHBondContact CD1-O 3.25Å; F815-M862 HydrophobicContact CD2-CG 4.23Å; F815-M862 HydrophobicContact CD2-SD 4.41Å; F815-M862 HydrophobicContact CE1-CB 4.48Å; F815-M862 HydrophobicContact CE1-CG 3.33Å; F815-M862 WeakPolarHBondContact CE1-O 3.41Å; F815-M862 HydrophobicContact CE1-SD 4.34Å; F815-M862 HydrophobicContact CE2-CG 4.02Å; F815-M862 HydrophobicContact CE2-SD 4Å; F815-M862 HydrophobicContact CG-CG 4.03Å; F815-M862 HydrophobicContact CZ-CG 3.58Å; F815-M862 HydrophobicContact CZ-SD 3.97Å; R858-M862 HydrophobicContact CG-CE 4.14Å; R858-M862 WeakPolarHBondContact O-CB 3.31Å; R858-M862 PolarHBondContact O-N 2.86Å; M862-L864 VanDerWaalsContact C-N 3.31Å; M862-L864 PolarHBondContact O-N 2.8Å; M862-R865 CarbonylContact O-C 3.46Å; M862-R865 WeakPolarHBondContact O-CA 3.23Å; M862-R865 PolarHBondContact O-N 3.42Å; M862-A866 PolarHBondContact O-N 3Å; M862-F896 HydrophobicContact CB-CZ 4.08Å; M862-F896 HydrophobicContact CE-CZ 4.34Å; M862-I1076 HydrophobicContact CE-CD1 4.44Å
863	P	95.2	Very high	92.7	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.026	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-63.6	-37.1	177.3	-18.6	31.6	0	0	0	112.4	A560 N859 R865 A866	A560-P863 HydrophobicContact CB-CB 3.94Å; A560-P863 HydrophobicContact CB-CG 3.94Å; N859-P863 WeakPolarHBondContact O-CD 3.45Å; N859-P863 WeakPolarHBondContact O-CG 3.33Å; P863-R865 PolarHBondContact O-N 3.11Å; P863-R865 VanDerWaalsContact O-N 3.12Å; P863-A866 WeakPolarHBondContact O-CB 3.46Å; P863-A866 PolarHBondContact O-N 2.9Å
864	L	95.8	Very high	93.1	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-69	-2.1	173.5	-66.9	177.9	0	0	0	113.8	A560 C563 L564 V861 M862 I877	A560-L864 HydrophobicContact CB-CG 4.16Å; A560-L864 WeakPolarHBondContact O-CD2 3.32Å; C563-L864 HydrophobicContact CB-CD1 4.46Å; C563-L864 HydrophobicContact CB-CD2 4.11Å; L564-L864 HydrophobicContact CD1-CD2 4.3Å; L564-L864 HydrophobicContact CD2-CD2 3.74Å; L564-L864 HydrophobicContact CG-CD2 3.81Å; V861-L864 CarbonylContact O-C 3.57Å; V861-L864 PolarHBondContact O-N 2.83Å; M862-L864 VanDerWaalsContact C-N 3.31Å; M862-L864 PolarHBondContact O-N 2.8Å; L864-I877 HydrophobicContact CB-CD1 4.08Å; L864-I877 HydrophobicContact CD1-CD1 3.78Å; L864-I877 HydrophobicContact CD1-CG1 4.35Å
865	R	95.4	Very high	93.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-125	17.2	177	-62.2	-65.2	176.1	-98.8	5	112.4	F815 H816 V861 M862 P863 K875 F896 P897 K898	F815-R865 WeakPolarHBondContact CA-O 3.26Å; H816-R865 PolarHBondContact CD2-O 2.64Å; H816-R865 PolarHBondContact N-O 2.75Å; V861-R865 HydrophobicContact CG1-CG 3.93Å; V861-R865 VanDerWaalsContact O-CG 3.28Å; V861-R865 WeakPolarHBondContact O-CG 3.21Å; V861-R865 PolarHBondContact O-N 3.14Å; V861-R865 VanDerWaalsContact O-N 3.14Å; M862-R865 CarbonylContact O-C 3.46Å; M862-R865 WeakPolarHBondContact O-CA 3.23Å; M862-R865 PolarHBondContact O-N 3.42Å; P863-R865 PolarHBondContact O-N 3.11Å; P863-R865 VanDerWaalsContact O-N 3.12Å; R865-K875 VanDerWaalsContact CZ-O 3.29Å; R865-K875 PolarHBondContact NH1-O 3.25Å; R865-K875 PolarHBondContact NH2-O 2.96Å; R865-F896 HydrophobicContact CB-CD1 3.85Å; R865-F896 HydrophobicContact CB-CE1 4.15Å; R865-F896 HydrophobicContact CG-CB 4.38Å; R865-F896 HydrophobicContact CG-CD1 3.8Å; R865-F896 HydrophobicContact CG-CE1 4.48Å; R865-F896 HydrophobicContact CG-CG 4.33Å; R865-P897 PolarHBondContact NE-O 2.93Å; R865-P897 PolarHBondContact NH2-O 3.13Å; R865-K898 PolarHBondContact NH2-O 3.37Å
866	A	93.7	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.008	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-60.7	146.6	174.9	0	0	0	0	0	112.7	F815 H816 M862 P863 N868 F869	F815-A866 HydrophobicContact CD1-CB 4.24Å; F815-A866 HydrophobicContact CE1-CB 4Å; H816-A866 PolarHBondContact CD2-O 2.71Å; H816-A866 PolarHBondContact NE2-O 3.42Å; M862-A866 PolarHBondContact O-N 3Å; P863-A866 WeakPolarHBondContact O-CB 3.46Å; P863-A866 PolarHBondContact O-N 2.9Å; A866-N868 VanDerWaalsContact C-N 3.25Å; A866-N868 WeakPolarHBondContact CB-OD1 3.42Å; A866-N868 PolarHBondContact O-N 2.76Å; A866-F869 PolarHBondContact O-N 3.33Å
867	S	92	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.5	-170.6	64.6	0	0	0	0	115.4	G813 M814 H816 F869 R1095 R1097	G813-S867 WeakPolarHBondContact O-CB 3.46Å; G813-S867 PolarHBondContact O-OG 3.33Å; M814-S867 VanDerWaalsContact C-OG 3.29Å; M814-S867 WeakPolarHBondContact CA-OG 3.33Å; M814-S867 WeakPolarHBondContact O-CB 3.32Å; M814-S867 PolarHBondContact O-N 3.06Å; M814-S867 PolarHBondContact O-OG 3.39Å; M814-S867 VanDerWaalsContact O-OG 3.08Å; H816-S867 WeakPolarHBondContact NE2-CA 3.27Å; S867-F869 PolarHBondContact O-N 2.91Å; S867-R1095 VanDerWaalsContact O-CZ 3.26Å; S867-R1095 PolarHBondContact O-NE 3.45Å; S867-R1095 PolarHBondContact O-NH2 3.28Å; S867-R1097 PolarHBondContact OG-NH2 2.79Å
868	N	90	Very high	94.1	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.048	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	3.2	169.5	59.8	-11	0	0	0	113.7	A866 R1097 C1098 R1099 F1178	A866-N868 VanDerWaalsContact C-N 3.25Å; A866-N868 WeakPolarHBondContact CB-OD1 3.42Å; A866-N868 PolarHBondContact O-N 2.76Å; N868-R1097 WeakPolarHBondContact CB-O 3.46Å; N868-C1098 PolarHBondContact ND2-O 2.96Å; N868-R1099 WeakPolarHBondContact O-CD 3.35Å; N868-R1099 PolarHBondContact O-NH1 3.49Å; N868-F1178 WeakPolarHBondContact O-CD2 3.31Å
869	F	91.4	Very high	94.3	Very high	22 Å²	22	23.9 Å²	23.9	10%	0.096	11%	0.107	C	C	.	.	S	Bend	trans	-107.3	148.7	164.9	-66.2	-79.9	0	0	0	111.4	L564 H816 A866 S867 E873 L874 R1099	L564-F869 HydrophobicContact CD1-CE2 3.98Å; L564-F869 HydrophobicContact CD1-CZ 3.82Å; L564-F869 HydrophobicContact CD2-CE1 4.4Å; L564-F869 HydrophobicContact CD2-CE2 4.37Å; L564-F869 HydrophobicContact CD2-CZ 3.88Å; L564-F869 HydrophobicContact CG-CZ 4.43Å; H816-F869 PolarHBondContact CE1-O 3.06Å; H816-F869 VanDerWaalsContact CE1-O 3.29Å; H816-F869 PolarHBondContact NE2-O 3.28Å; A866-F869 PolarHBondContact O-N 3.33Å; S867-F869 PolarHBondContact O-N 2.91Å; F869-E873 HydrophobicContact CD1-CB 4.4Å; F869-L874 HydrophobicContact CB-CD2 3.79Å; F869-R1099 HydrophobicContact CE1-CB 4.45Å; F869-R1099 HydrophobicContact CE2-CB 4.49Å; F869-R1099 HydrophobicContact CZ-CB 4.05Å
870	H	91.4	Very high	94.4	Very high	26 Å²	26	23.4 Å²	23.4	12%	0.12	11%	0.105	C	C	.	.			trans	-77	151	166.3	-63.9	86.8	0	0	0	110.6	H816 H872 E873 L874 F1178 D1179	H816-H870 VanDerWaalsContact CE1-C 3.46Å; H870-H872 PolarHBondContact O-N 2.75Å; H870-H872 VanDerWaalsContact O-N 3.07Å; H870-E873 HydrophobicContact CB-CG 4.06Å; H870-E873 WeakPolarHBondContact CB-OE2 3.31Å; H870-E873 IonicContact CG-OE2 3.17Å; H870-E873 PolarHBondContact N-OE2 2.86Å; H870-E873 IonicContact ND1-OE2 3.2Å; H870-E873 PolarHBondContact ND1-OE2 3.42Å; H870-E873 WeakPolarHBondContact O-CB 3.18Å; H870-E873 PolarHBondContact O-N 2.8Å; H870-L874 PolarHBondContact O-N 2.91Å; H870-F1178 AromaticContact CE1-CE2 3.39Å; H870-F1178 WeakPolarHBondContact CE1-CE2 3.37Å; H870-F1178 AromaticContact CE1-CZ 3.57Å; H870-F1178 AromaticContact ND1-CE2 3.85Å; H870-F1178 AromaticContact NE2-CE2 3.75Å; H870-F1178 AromaticContact NE2-CZ 3.45Å; H870-F1178 WeakPolarHBondContact NE2-CZ 3.44Å; H870-D1179 PolarHBondContact CE1-O 2.9Å
871	Y	91.3	Very high	94.3	Very high	130 Å²	130	23.4 Å²	23.4	51%	0.51	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.4	-177.8	-169.5	-90.4	0	0	0	113.4	H816 L874 P897 K898	H816-Y871 WeakPolarHBondContact CE1-CA 3.42Å; H816-Y871 VanDerWaalsContact CE1-CB 3.5Å; H816-Y871 WeakPolarHBondContact CE1-CB 3.35Å; H816-Y871 PolarHBondContact CE1-N 3.37Å; H816-Y871 AromaticContact ND1-CD2 3.82Å; Y871-L874 HydrophobicContact CD2-CD1 4.17Å; Y871-P897 HydrophobicContact CE2-CB 3.63Å; Y871-P897 HydrophobicContact CE2-CG 4.01Å; Y871-K898 WeakPolarHBondContact O-CE 3.25Å; Y871-K898 PolarHBondContact O-NZ 3.42Å
872	H	90	Very high	94.3	Very high	123 Å²	123	24.6 Å²	24.6	57%	0.569	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-37.2	174.9	63.6	-99.9	0	0	0	112.8	H870 L874 K898	H870-H872 PolarHBondContact O-N 2.75Å; H870-H872 VanDerWaalsContact O-N 3.07Å; H872-L874 VanDerWaalsContact C-N 3.29Å; H872-L874 PolarHBondContact O-N 2.93Å; H872-K898 PolarHBondContact O-NZ 3.02Å; H872-K898 VanDerWaalsContact O-NZ 3.09Å
873	E	91.8	Very high	94.4	Very high	65 Å²	65	25.3 Å²	25.3	30%	0.304	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21	177.3	-61.2	175.7	120	0	0	113.6	F869 H870 K875 R1099	F869-E873 HydrophobicContact CD1-CB 4.4Å; H870-E873 HydrophobicContact CB-CG 4.06Å; H870-E873 WeakPolarHBondContact CB-OE2 3.31Å; H870-E873 IonicContact CG-OE2 3.17Å; H870-E873 PolarHBondContact N-OE2 2.86Å; H870-E873 IonicContact ND1-OE2 3.2Å; H870-E873 PolarHBondContact ND1-OE2 3.42Å; H870-E873 WeakPolarHBondContact O-CB 3.18Å; H870-E873 PolarHBondContact O-N 2.8Å; E873-K875 PolarHBondContact O-N 3.28Å; E873-K875 VanDerWaalsContact O-N 3.08Å; E873-R1099 IonicContact OE1-CZ 3.14Å; E873-R1099 VanDerWaalsContact OE1-CZ 3.29Å; E873-R1099 IonicContact OE1-NH1 2.76Å; E873-R1099 PolarHBondContact OE1-NH1 2.9Å; E873-R1099 IonicContact OE1-NH2 2.71Å; E873-R1099 PolarHBondContact OE1-NH2 3.41Å; E873-R1099 IonicContact OE2-CZ 2.87Å; E873-R1099 IonicContact OE2-NH1 2.73Å; E873-R1099 PolarHBondContact OE2-NH1 3.23Å; E873-R1099 IonicContact OE2-NH2 2.66Å
874	L	94.4	Very high	94.3	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	14%	0.138	C	C	.	.	S	Bend	trans	-58.3	113.5	178.3	-67	-178.7	0	0	0	111.7	H816 F869 H870 Y871 H872 H876 P897 K898	H816-L874 HydrophobicContact CB-CD1 4.28Å; F869-L874 HydrophobicContact CB-CD2 3.79Å; H870-L874 PolarHBondContact O-N 2.91Å; Y871-L874 HydrophobicContact CD2-CD1 4.17Å; H872-L874 VanDerWaalsContact C-N 3.29Å; H872-L874 PolarHBondContact O-N 2.93Å; L874-H876 PolarHBondContact O-N 2.83Å; L874-P897 HydrophobicContact CD1-CG 4.15Å; L874-K898 HydrophobicContact CB-CD 3.96Å; L874-K898 WeakPolarHBondContact O-CD 3.39Å; L874-K898 PolarHBondContact O-NZ 3.43Å
875	K	95.1	Very high	94.3	Very high	41 Å²	41	29.7 Å²	29.7	18%	0.178	14%	0.137	C	C	.	.			trans	-60.1	130.5	173.2	-52.9	-169.7	-176.4	-161.7	0	110.3	C563 V842 R865 E873 D921	C563-K875 WeakPolarHBondContact O-CE 3.29Å; C563-K875 PolarHBondContact O-NZ 3Å; V842-K875 HydrophobicContact CG2-CB 4.15Å; V842-K875 HydrophobicContact CG2-CD 4.1Å; R865-K875 VanDerWaalsContact CZ-O 3.29Å; R865-K875 PolarHBondContact NH1-O 3.25Å; R865-K875 PolarHBondContact NH2-O 2.96Å; E873-K875 PolarHBondContact O-N 3.28Å; E873-K875 VanDerWaalsContact O-N 3.08Å; K875-D921 HydrophobicContact CD-CB 4.15Å; K875-D921 VanDerWaalsContact CD-OD2 3.31Å; K875-D921 WeakPolarHBondContact CD-OD2 3.14Å; K875-D921 WeakPolarHBondContact CE-OD2 3.17Å; K875-D921 IonicContact NZ-OD2 3.81Å; K875-D921 PolarHBondContact NZ-OD2 3.37Å
876	H	96.8	Very high	94.2	Very high	48 Å²	48	29.8 Å²	29.8	22%	0.222	14%	0.137	C	C	.	.			trans	-69	141.8	175.5	-161.8	102.1	0	0	0	109.7	H841 V842 L874 K898 S900	H841-H876 HydrophobicContact CB-CB 4.26Å; H841-H876 WeakPolarHBondContact CB-O 3.3Å; V842-H876 PolarHBondContact N-O 3.25Å; L874-H876 PolarHBondContact O-N 2.83Å; H876-K898 HydrophobicContact CB-CB 4.38Å; H876-S900 PolarHBondContact NE2-OG 2.91Å
877	I	98.2	Very high	94.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	-179.5	-64	168.7	0	0	0	108.7	V842 V844 V861 L864 F879 K898 V899 S900	V842-I877 HydrophobicContact CB-CG1 4.4Å; V842-I877 WeakPolarHBondContact O-CA 3.39Å; V844-I877 HydrophobicContact CG2-CG2 4.02Å; V861-I877 HydrophobicContact CB-CD1 4.45Å; V861-I877 HydrophobicContact CG1-CD1 4.12Å; V861-I877 HydrophobicContact CG2-CD1 4.14Å; L864-I877 HydrophobicContact CB-CD1 4.08Å; L864-I877 HydrophobicContact CD1-CD1 3.78Å; L864-I877 HydrophobicContact CD1-CG1 4.35Å; I877-F879 HydrophobicContact CG2-CD2 4.37Å; I877-F879 HydrophobicContact CG2-CE1 4.37Å; I877-F879 HydrophobicContact CG2-CE2 3.98Å; I877-F879 HydrophobicContact CG2-CZ 3.99Å; I877-K898 PolarHBondContact N-O 2.92Å; I877-V899 CarbonylContact O-C 3.3Å; I877-V899 WeakPolarHBondContact O-CA 3.34Å; I877-S900 PolarHBondContact O-N 3.4Å
878	V	97.7	Very high	94.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.2	174.9	-172.3	0	0	0	0	109.5	L838 V842 V844 V880 S900 L902 V915	L838-V878 HydrophobicContact CD1-CG2 3.87Å; V842-V878 PolarHBondContact O-N 2.97Å; V844-V878 PolarHBondContact N-O 2.89Å; V878-V880 HydrophobicContact CG1-CG2 4.45Å; V878-S900 WeakPolarHBondContact CA-O 3.22Å; V878-L902 HydrophobicContact CG1-CB 4.41Å; V878-V915 HydrophobicContact CG1-CG1 3.88Å
879	F	98	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134	172.1	-66.1	-72.5	0	0	0	110.5	V844 I846 L857 V861 I877 L886 L893 V899 S900 I901 L902	V844-F879 HydrophobicContact CB-CD1 3.64Å; V844-F879 HydrophobicContact CB-CE1 3.88Å; V844-F879 HydrophobicContact CG1-CD1 3.85Å; V844-F879 HydrophobicContact CG1-CE1 3.87Å; V844-F879 HydrophobicContact CG2-CD1 4.31Å; V844-F879 HydrophobicContact CG2-CE1 4.16Å; V844-F879 WeakPolarHBondContact O-CA 3.19Å; I846-F879 HydrophobicContact CD1-CD1 3.53Å; I846-F879 HydrophobicContact CD1-CE1 4.11Å; I846-F879 HydrophobicContact CD1-CG 4.42Å; L857-F879 HydrophobicContact CB-CZ 4.47Å; L857-F879 HydrophobicContact CD1-CD1 4.35Å; L857-F879 HydrophobicContact CD1-CE1 3.95Å; L857-F879 HydrophobicContact CD1-CZ 4.37Å; L857-F879 HydrophobicContact CD2-CE1 4.27Å; L857-F879 HydrophobicContact CG-CE1 4.49Å; V861-F879 HydrophobicContact CG2-CE2 4.32Å; V861-F879 HydrophobicContact CG2-CZ 3.71Å; I877-F879 HydrophobicContact CG2-CD2 4.37Å; I877-F879 HydrophobicContact CG2-CE1 4.37Å; I877-F879 HydrophobicContact CG2-CE2 3.98Å; I877-F879 HydrophobicContact CG2-CZ 3.99Å; F879-L886 HydrophobicContact CB-CD1 3.91Å; F879-L886 HydrophobicContact CB-CD2 4.18Å; F879-L886 HydrophobicContact CD1-CD2 4.5Å; F879-L886 HydrophobicContact CG-CD2 4.27Å; F879-L893 HydrophobicContact CE2-CD1 3.95Å; F879-L893 HydrophobicContact CZ-CD1 4.12Å; F879-V899 HydrophobicContact CD2-CG1 3.93Å; F879-V899 HydrophobicContact CE2-CG1 3.66Å; F879-S900 PolarHBondContact N-O 2.91Å; F879-I901 HydrophobicContact CB-CG1 4.35Å; F879-I901 HydrophobicContact CD2-CG1 4.42Å; F879-L902 PolarHBondContact O-N 3.44Å
880	V	97.4	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.2	177.1	-175.6	0	0	0	0	108.7	V843 V844 I846 V878 L902 V915	V843-V880 HydrophobicContact CG1-CG2 3.94Å; V844-V880 PolarHBondContact O-N 2.86Å; I846-V880 PolarHBondContact N-O 3.22Å; V878-V880 HydrophobicContact CG1-CG2 4.45Å; V880-L902 HydrophobicContact CG2-CB 4.39Å; V880-V915 HydrophobicContact CG2-CG1 4.27Å
881	G	95.6	Very high	94.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-167.4	-176.6	0	0	0	0	0	113.6	G904	G881-G904 CarbonylContact C-O 3.56Å; G881-G904 VanDerWaalsContact CA-O 3.31Å; G881-G904 WeakPolarHBondContact CA-O 3.46Å; G881-G904 PolarHBondContact O-N 3.43Å; G881-G904 VanDerWaalsContact O-O 3.11Å
882	S	95.5	Very high	94.7	Very high	24 Å²	24	39.1 Å²	39.1	17%	0.168	18%	0.182	C	C	.	.			trans	-58.1	133.4	175.7	162.8	0	0	0	0	111.5	G848 E884 Y885 L886	G848-S882 VanDerWaalsContact O-CB 3.25Å; G848-S882 WeakPolarHBondContact O-CB 3.25Å; S882-E884 VanDerWaalsContact C-N 3.34Å; S882-E884 WeakPolarHBondContact OG-CB 3.14Å; S882-E884 PolarHBondContact OG-N 3.27Å; S882-E884 VanDerWaalsContact OG-N 3.11Å; S882-E884 PolarHBondContact OG-OE2 2.91Å; S882-Y885 PolarHBondContact OG-N 2.9Å; S882-L886 WeakPolarHBondContact O-CB 3.48Å; S882-L886 WeakPolarHBondContact O-CG 3.48Å; S882-L886 PolarHBondContact O-N 2.94Å; S882-L886 VanDerWaalsContact O-N 3.16Å
883	I	94.9	Very high	94.9	Very high	24 Å²	24	33.3 Å²	33.3	12%	0.123	16%	0.155	C	C	.	.	H	α-helix	trans	-77.2	-26.1	174	-170.3	57.1	0	0	0	111.8	I823 I827 K887 I901 P903	I823-I883 HydrophobicContact CD1-CD1 3.95Å; I827-I883 HydrophobicContact CD1-CD1 3.79Å; I827-I883 HydrophobicContact CD1-CG1 4.39Å; I827-I883 HydrophobicContact CG1-CD1 4.13Å; I883-K887 HydrophobicContact CD1-CG 4.46Å; I883-K887 HydrophobicContact CG1-CD 4.22Å; I883-K887 HydrophobicContact CG1-CG 4.39Å; I883-K887 VanDerWaalsContact O-CB 3.27Å; I883-K887 WeakPolarHBondContact O-CB 3.21Å; I883-K887 WeakPolarHBondContact O-CD 3.38Å; I883-K887 WeakPolarHBondContact O-CG 3.37Å; I883-K887 PolarHBondContact O-N 3.03Å; I883-I901 HydrophobicContact CD1-CG2 4.03Å; I883-P903 HydrophobicContact CB-CB 4.02Å
884	E	94.2	Very high	95.1	Very high	101 Å²	101	32.7 Å²	32.7	47%	0.472	15%	0.152	S	C	.	.	H	α-helix	trans	-66.5	-43.3	175.3	-57.3	67.5	-150.8	0	0	110.9	V850 S882	V850-E884 HydrophobicContact CG2-CB 3.91Å; V850-E884 HydrophobicContact CG2-CG 4.31Å; S882-E884 VanDerWaalsContact C-N 3.34Å; S882-E884 WeakPolarHBondContact OG-CB 3.14Å; S882-E884 PolarHBondContact OG-N 3.27Å; S882-E884 VanDerWaalsContact OG-N 3.11Å; S882-E884 PolarHBondContact OG-OE2 2.91Å
885	Y	94.8	Very high	95.1	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-54	170.9	-179.3	-91.3	0	0	0	111.2	I846 S852 A853 L854 I855 L857 S882 K887 R888 E889 A928	I846-Y885 HydrophobicContact CG2-CD1 3.94Å; I846-Y885 HydrophobicContact CG2-CE1 4Å; S852-Y885 VanDerWaalsContact OG-CD2 3.26Å; S852-Y885 WeakPolarHBondContact OG-CD2 3.31Å; S852-Y885 WeakPolarHBondContact OG-CE2 3.43Å; A853-Y885 WeakPolarHBondContact O-CE2 3.49Å; L854-Y885 WeakPolarHBondContact CA-OH 3.2Å; L854-Y885 HydrophobicContact CD2-CE2 4.31Å; I855-Y885 PolarHBondContact N-OH 2.87Å; L857-Y885 HydrophobicContact CD1-CE1 4.35Å; S882-Y885 PolarHBondContact OG-N 2.9Å; Y885-K887 PolarHBondContact O-N 3.32Å; Y885-R888 WeakPolarHBondContact O-CB 3.46Å; Y885-R888 PolarHBondContact O-N 3.19Å; Y885-E889 HydrophobicContact CD1-CG 4.44Å; Y885-E889 HydrophobicContact CE1-CG 3.61Å; Y885-E889 PolarHBondContact OH-OE1 3.32Å; Y885-A928 HydrophobicContact CE2-CB 3.88Å
886	L	95.2	Very high	95.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-26.8	-175.3	-72.8	171.1	0	0	0	113.7	I846 L857 F879 S882 R888 E889 W890 I901	I846-L886 HydrophobicContact CD1-CD2 3.85Å; L857-L886 HydrophobicContact CD1-CD2 3.83Å; F879-L886 HydrophobicContact CB-CD1 3.91Å; F879-L886 HydrophobicContact CB-CD2 4.18Å; F879-L886 HydrophobicContact CD1-CD2 4.5Å; F879-L886 HydrophobicContact CG-CD2 4.27Å; S882-L886 WeakPolarHBondContact O-CB 3.48Å; S882-L886 WeakPolarHBondContact O-CG 3.48Å; S882-L886 PolarHBondContact O-N 2.94Å; S882-L886 VanDerWaalsContact O-N 3.16Å; L886-R888 PolarHBondContact O-N 2.94Å; L886-E889 PolarHBondContact O-N 3.07Å; L886-W890 WeakPolarHBondContact O-CB 3.35Å; L886-W890 PolarHBondContact O-N 2.91Å; L886-I901 HydrophobicContact CB-CD1 4.38Å; L886-I901 HydrophobicContact CD1-CG1 4.36Å; L886-I901 HydrophobicContact CD1-CG2 3.63Å
887	K	94.9	Very high	95	Very high	111 Å²	111	29.2 Å²	29.2	48%	0.483	14%	0.137	S	C	.	.	H	α-helix	trans	-61.8	-27.1	171.8	-85.5	168.2	175.7	169.1	0	113.6	I823 I883 Y885	I823-K887 HydrophobicContact CD1-CG 3.69Å; I883-K887 HydrophobicContact CD1-CG 4.46Å; I883-K887 HydrophobicContact CG1-CD 4.22Å; I883-K887 HydrophobicContact CG1-CG 4.39Å; I883-K887 VanDerWaalsContact O-CB 3.27Å; I883-K887 WeakPolarHBondContact O-CB 3.21Å; I883-K887 WeakPolarHBondContact O-CD 3.38Å; I883-K887 WeakPolarHBondContact O-CG 3.37Å; I883-K887 PolarHBondContact O-N 3.03Å; Y885-K887 PolarHBondContact O-N 3.32Å
888	R	93.1	Very high	94.9	Very high	83 Å²	83	31.6 Å²	31.6	31%	0.313	15%	0.147	S	C	.	.	H	α-helix	trans	-77.9	-44.6	175.8	-61.5	160.3	59.5	-155	-2.6	111.3	D849 V850 S852 L854 Y885 L886 W890	D849-R888 PolarHBondContact O-NH1 3.46Å; V850-R888 PolarHBondContact O-NH1 2.94Å; S852-R888 VanDerWaalsContact O-CZ 3.27Å; S852-R888 PolarHBondContact O-NH1 2.68Å; S852-R888 PolarHBondContact O-NH2 3.08Å; L854-R888 HydrophobicContact CD2-CB 3.92Å; Y885-R888 WeakPolarHBondContact O-CB 3.46Å; Y885-R888 PolarHBondContact O-N 3.19Å; L886-R888 PolarHBondContact O-N 2.94Å; R888-W890 VanDerWaalsContact C-N 3.33Å; R888-W890 PolarHBondContact O-N 3.02Å
889	E	93.6	Very high	94.8	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-26.5	178.2	-71.8	-90.1	-172.8	0	0	113.5	L854 I855 G856 L857 Y885 L886 E891 T892 L893	L854-E889 HydrophobicContact CD2-CG 4.21Å; I855-E889 PolarHBondContact N-OE1 3.03Å; I855-E889 VanDerWaalsContact N-OE1 3.13Å; G856-E889 WeakPolarHBondContact CA-OE2 3.46Å; G856-E889 PolarHBondContact N-OE1 2.91Å; L857-E889 HydrophobicContact CD1-CB 4.02Å; L857-E889 HydrophobicContact CD1-CG 3.78Å; L857-E889 HydrophobicContact CG-CG 4.12Å; L857-E889 PolarHBondContact N-OE2 2.85Å; Y885-E889 HydrophobicContact CD1-CG 4.44Å; Y885-E889 HydrophobicContact CE1-CG 3.61Å; Y885-E889 PolarHBondContact OH-OE1 3.32Å; L886-E889 PolarHBondContact O-N 3.07Å; E889-E891 VanDerWaalsContact C-N 3.26Å; E889-E891 PolarHBondContact O-N 3.49Å; E889-E891 VanDerWaalsContact O-N 3.13Å; E889-T892 PolarHBondContact O-N 3Å; E889-T892 PolarHBondContact O-OG1 3.47Å; E889-L893 HydrophobicContact CB-CD1 4.38Å
890	W	95.1	Very high	94.7	Very high	17 Å²	17	32.4 Å²	32.4	6%	0.064	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-29	-167.3	-170.4	-110.7	0	0	0	115	K821 I823 V826 L886 R888 T892 L893 H894 V899 I901	K821-W890 HydrophobicContact CB-CZ2 4.31Å; K821-W890 PolarHBondContact O-NE1 3.48Å; I823-W890 HydrophobicContact CB-CD2 4.49Å; I823-W890 HydrophobicContact CB-CG 4.13Å; I823-W890 HydrophobicContact CD1-CB 4.03Å; I823-W890 HydrophobicContact CD1-CD2 4.43Å; I823-W890 HydrophobicContact CD1-CG 3.96Å; I823-W890 HydrophobicContact CG1-CD2 4.06Å; I823-W890 HydrophobicContact CG1-CG 3.92Å; V826-W890 HydrophobicContact CB-CH2 4.15Å; V826-W890 HydrophobicContact CB-CZ2 4.36Å; V826-W890 HydrophobicContact CG1-CH2 3.86Å; V826-W890 HydrophobicContact CG1-CZ2 3.92Å; V826-W890 HydrophobicContact CG2-CH2 3.5Å; V826-W890 HydrophobicContact CG2-CZ2 3.54Å; V826-W890 HydrophobicContact CG2-CZ3 4Å; L886-W890 WeakPolarHBondContact O-CB 3.35Å; L886-W890 PolarHBondContact O-N 2.91Å; R888-W890 VanDerWaalsContact C-N 3.33Å; R888-W890 PolarHBondContact O-N 3.02Å; W890-T892 PolarHBondContact O-N 3.45Å; W890-L893 HydrophobicContact CD2-CB 4.45Å; W890-L893 HydrophobicContact CE3-CB 3.75Å; W890-L893 HydrophobicContact CE3-CD1 4.21Å; W890-L893 HydrophobicContact CZ3-CB 3.83Å; W890-L893 HydrophobicContact CZ3-CD1 4.46Å; W890-L893 PolarHBondContact O-N 3.33Å; W890-H894 HydrophobicContact CD2-CB 4.47Å; W890-H894 HydrophobicContact CZ2-CB 4.03Å; W890-H894 PolarHBondContact O-N 3.03Å; W890-V899 HydrophobicContact CH2-CB 4.49Å; W890-V899 HydrophobicContact CH2-CG1 4.15Å; W890-V899 HydrophobicContact CZ3-CG1 3.87Å; W890-I901 HydrophobicContact CE3-CD1 3.89Å; W890-I901 HydrophobicContact CZ3-CD1 4.16Å
891	E	91	Very high	94.8	Very high	136 Å²	136	32.4 Å²	32.4	64%	0.636	15%	0.153	S	C	*	.	H	α-helix	trans	-59	-29.2	175.2	64.5	-179.5	-154.6	0	0	113	E889 H894	E889-E891 VanDerWaalsContact C-N 3.26Å; E889-E891 PolarHBondContact O-N 3.49Å; E889-E891 VanDerWaalsContact O-N 3.13Å; E891-H894 PolarHBondContact O-CE1 2.9Å
892	T	91.8	Very high	94.8	Very high	33 Å²	33	32.5 Å²	32.5	20%	0.202	15%	0.153	C	C	.	.	H	α-helix	trans	-86	-14.8	176.4	74.8	0	0	0	0	113.4	E889 W890	E889-T892 PolarHBondContact O-N 3Å; E889-T892 PolarHBondContact O-OG1 3.47Å; W890-T892 PolarHBondContact O-N 3.45Å
893	L	94.8	Very high	94.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-107.7	-21.9	-169.6	-63	-178.6	0	0	0	114.1	L857 V861 F879 E889 W890 N895 F896	L857-L893 HydrophobicContact CB-CD1 4.15Å; L857-L893 HydrophobicContact CB-CD2 4.25Å; L857-L893 HydrophobicContact CD1-CD1 4.34Å; V861-L893 HydrophobicContact CB-CD2 4.25Å; V861-L893 HydrophobicContact CG2-CD2 3.91Å; F879-L893 HydrophobicContact CE2-CD1 3.95Å; F879-L893 HydrophobicContact CZ-CD1 4.12Å; E889-L893 HydrophobicContact CB-CD1 4.38Å; W890-L893 HydrophobicContact CD2-CB 4.45Å; W890-L893 HydrophobicContact CE3-CB 3.75Å; W890-L893 HydrophobicContact CE3-CD1 4.21Å; W890-L893 HydrophobicContact CZ3-CB 3.83Å; W890-L893 HydrophobicContact CZ3-CD1 4.46Å; W890-L893 PolarHBondContact O-N 3.33Å; L893-N895 PolarHBondContact O-N 3.15Å; L893-F896 HydrophobicContact CD2-CD2 4.42Å; L893-F896 WeakPolarHBondContact O-CD2 3.46Å; L893-F896 PolarHBondContact O-N 3.31Å
894	H	94.4	Very high	94.7	Very high	53 Å²	53	34 Å²	34	25%	0.245	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-8.3	-166.5	63.5	24.7	0	0	0	116.5	P820 K821 W890 E891	P820-H894 WeakPolarHBondContact CA-O 3.34Å; K821-H894 PolarHBondContact N-O 2.89Å; K821-H894 VanDerWaalsContact N-O 3.12Å; W890-H894 HydrophobicContact CD2-CB 4.47Å; W890-H894 HydrophobicContact CZ2-CB 4.03Å; W890-H894 PolarHBondContact O-N 3.03Å; E891-H894 PolarHBondContact O-CE1 2.9Å
895	N	94.7	Very high	94.7	Very high	16 Å²	16	32.1 Å²	32.1	9%	0.086	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	0.8	175.5	-70.6	107.4	0	0	0	114.7	W817 C818 L893	W817-N895 PolarHBondContact NE1-ND2 3.39Å; C818-N895 PolarHBondContact N-O 3.28Å; C818-N895 PolarHBondContact O-ND2 3.13Å; C818-N895 VanDerWaalsContact SG-C 3.59Å; C818-N895 PolarHBondContact SG-O 3.04Å; C818-N895 VanDerWaalsContact SG-O 3.41Å; L893-N895 PolarHBondContact O-N 3.15Å
896	F	95.6	Very high	94.7	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.013	17%	0.165	C	C	.	.			trans	-93.2	138.9	-179.5	-65.9	-66	0	0	0	113.5	R858 V861 M862 R865 L893 V899 L1082	R858-F896 HydrophobicContact CG-CE2 4.47Å; V861-F896 HydrophobicContact CB-CD2 4.21Å; V861-F896 HydrophobicContact CB-CE2 4.36Å; V861-F896 HydrophobicContact CG1-CB 3.82Å; V861-F896 HydrophobicContact CG1-CD1 4.11Å; V861-F896 HydrophobicContact CG1-CD2 3.5Å; V861-F896 HydrophobicContact CG1-CE2 4.04Å; V861-F896 HydrophobicContact CG1-CG 3.54Å; M862-F896 HydrophobicContact CB-CZ 4.08Å; M862-F896 HydrophobicContact CE-CZ 4.34Å; R865-F896 HydrophobicContact CB-CD1 3.85Å; R865-F896 HydrophobicContact CB-CE1 4.15Å; R865-F896 HydrophobicContact CG-CB 4.38Å; R865-F896 HydrophobicContact CG-CD1 3.8Å; R865-F896 HydrophobicContact CG-CE1 4.48Å; R865-F896 HydrophobicContact CG-CG 4.33Å; L893-F896 HydrophobicContact CD2-CD2 4.42Å; L893-F896 WeakPolarHBondContact O-CD2 3.46Å; L893-F896 PolarHBondContact O-N 3.31Å; F896-V899 HydrophobicContact CB-CG2 4.02Å; F896-L1082 HydrophobicContact CE1-CD2 4.08Å; F896-L1082 HydrophobicContact CZ-CD2 4.32Å
897	P	94.8	Very high	94.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.013	18%	0.183	C	C	.	.	S	Bend	trans	-76.7	160.6	173	31.9	-34.5	0	0	0	112.1	H816 R865 Y871 L874 V899	H816-P897 HydrophobicContact CB-CG 4.01Å; R865-P897 PolarHBondContact NE-O 2.93Å; R865-P897 PolarHBondContact NH2-O 3.13Å; Y871-P897 HydrophobicContact CE2-CB 3.63Å; Y871-P897 HydrophobicContact CE2-CG 4.01Å; L874-P897 HydrophobicContact CD1-CG 4.15Å; P897-V899 PolarHBondContact O-N 3.07Å
898	K	95.3	Very high	94.9	Very high	50 Å²	50	31.5 Å²	31.5	22%	0.217	17%	0.169	C	C	.	.	S	Bend	trans	50.6	54.2	177.2	-68.6	177.1	163.9	177.4	0	114	R865 Y871 H872 L874 H876 I877	R865-K898 PolarHBondContact NH2-O 3.37Å; Y871-K898 WeakPolarHBondContact O-CE 3.25Å; Y871-K898 PolarHBondContact O-NZ 3.42Å; H872-K898 PolarHBondContact O-NZ 3.02Å; H872-K898 VanDerWaalsContact O-NZ 3.09Å; L874-K898 HydrophobicContact CB-CD 3.96Å; L874-K898 WeakPolarHBondContact O-CD 3.39Å; L874-K898 PolarHBondContact O-NZ 3.43Å; H876-K898 HydrophobicContact CB-CB 4.38Å; I877-K898 PolarHBondContact N-O 2.92Å
899	V	96.8	Very high	95	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.4	174.2	-178.6	0	0	0	0	108.5	V826 V861 I877 F879 W890 F896 P897	V826-V899 WeakPolarHBondContact CG1-O 3.37Å; V861-V899 HydrophobicContact CG1-CG2 4.42Å; I877-V899 CarbonylContact O-C 3.3Å; I877-V899 WeakPolarHBondContact O-CA 3.34Å; F879-V899 HydrophobicContact CD2-CG1 3.93Å; F879-V899 HydrophobicContact CE2-CG1 3.66Å; W890-V899 HydrophobicContact CH2-CB 4.49Å; W890-V899 HydrophobicContact CH2-CG1 4.15Å; W890-V899 HydrophobicContact CZ3-CG1 3.87Å; F896-V899 HydrophobicContact CB-CG2 4.02Å; P897-V899 PolarHBondContact O-N 3.07Å
900	S	96.4	Very high	95	Very high	12 Å²	12	34.4 Å²	34.4	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.3	175.6	-66	0	0	0	0	111.3	V826 H876 I877 V878 F879	V826-S900 CarbonylContact O-C 3.04Å; V826-S900 VanDerWaalsContact O-CA 3.29Å; V826-S900 WeakPolarHBondContact O-CA 3.43Å; H876-S900 PolarHBondContact NE2-OG 2.91Å; I877-S900 PolarHBondContact O-N 3.4Å; V878-S900 WeakPolarHBondContact CA-O 3.22Å; F879-S900 PolarHBondContact N-O 2.91Å
901	I	97.4	Very high	95	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.4	177.3	-64.5	171.5	0	0	0	108.6	I823 V826 I827 L828 F879 I883 L886 W890	I823-I901 HydrophobicContact CD1-CD1 3.96Å; I823-I901 HydrophobicContact CG1-CD1 3.86Å; V826-I901 HydrophobicContact CG2-CD1 4.03Å; V826-I901 HydrophobicContact CG2-CG1 4.31Å; V826-I901 PolarHBondContact O-N 3.4Å; I827-I901 CarbonylContact C-O 3.54Å; I827-I901 WeakPolarHBondContact CA-O 3.25Å; I827-I901 HydrophobicContact CG1-CB 4.33Å; I827-I901 HydrophobicContact CG1-CG2 4.44Å; L828-I901 PolarHBondContact N-O 2.93Å; F879-I901 HydrophobicContact CB-CG1 4.35Å; F879-I901 HydrophobicContact CD2-CG1 4.42Å; I883-I901 HydrophobicContact CD1-CG2 4.03Å; L886-I901 HydrophobicContact CB-CD1 4.38Å; L886-I901 HydrophobicContact CD1-CG1 4.36Å; L886-I901 HydrophobicContact CD1-CG2 3.63Å; W890-I901 HydrophobicContact CE3-CD1 3.89Å; W890-I901 HydrophobicContact CZ3-CD1 4.16Å
902	L	96.9	Very high	95.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	104.4	166.1	176.3	59.7	0	0	0	108.2	L828 V878 F879 V880 G904 D911 V915	L828-L902 VanDerWaalsContact O-CD1 3.3Å; L828-L902 WeakPolarHBondContact O-CD1 3.49Å; V878-L902 HydrophobicContact CG1-CB 4.41Å; F879-L902 PolarHBondContact O-N 3.44Å; V880-L902 HydrophobicContact CG2-CB 4.39Å; L902-G904 PolarHBondContact O-N 2.9Å; L902-D911 HydrophobicContact CD2-CB 3.86Å; L902-V915 HydrophobicContact CD2-CG1 3.55Å
903	P	95.4	Very high	95.3	Very high	49 Å²	49	30.9 Å²	30.9	32%	0.318	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.5	177.9	29.2	-35	0	0	0	110	I827 L828 I883	I827-P903 HydrophobicContact CG2-CG 4.2Å; L828-P903 WeakPolarHBondContact O-CD 3.38Å; I883-P903 HydrophobicContact CB-CB 4.02Å
904	G	92.8	Very high	95.3	Very high	32 Å²	32	31.2 Å²	31.2	33%	0.33	17%	0.17	S	C	.	.	S	Bend	trans	172.3	-151.8	-173.1	0	0	0	0	0	112.7	G881 L902	G881-G904 CarbonylContact C-O 3.56Å; G881-G904 VanDerWaalsContact CA-O 3.31Å; G881-G904 WeakPolarHBondContact CA-O 3.46Å; G881-G904 PolarHBondContact O-N 3.43Å; G881-G904 VanDerWaalsContact O-O 3.11Å; L902-G904 PolarHBondContact O-N 2.9Å
905	T	94.5	Very high	95.3	Very high	60 Å²	60	28.7 Å²	28.7	37%	0.368	16%	0.158	S	C	.	.			trans	-135.2	137.8	175	173	0	0	0	0	111	L907 S908	T905-L907 PolarHBondContact O-N 3.46Å; T905-L907 VanDerWaalsContact O-N 3.11Å; T905-L907 PolarHBondContact OG1-N 3Å; T905-S908 VanDerWaalsContact O-CB 3.29Å; T905-S908 WeakPolarHBondContact O-CB 3.05Å; T905-S908 PolarHBondContact O-N 3.49Å
906	P	95.3	Very high	95.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.013	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.3	174.8	-27.8	36.3	0	0	0	115.1	C845 F847 S908 L912	C845-P906 HydrophobicContact CB-CB 3.68Å; C845-P906 HydrophobicContact CB-CG 3.58Å; F847-P906 HydrophobicContact CE1-CB 4.35Å; F847-P906 HydrophobicContact CE1-CG 4.28Å; F847-P906 HydrophobicContact CE2-CB 4.03Å; F847-P906 HydrophobicContact CE2-CG 4.09Å; F847-P906 HydrophobicContact CZ-CB 3.69Å; F847-P906 HydrophobicContact CZ-CG 3.94Å; P906-S908 PolarHBondContact O-N 3.4Å; P906-L912 VanDerWaalsContact O-CD1 3.29Å; P906-L912 WeakPolarHBondContact O-CD1 3.12Å
907	L	95.9	Very high	95.1	Very high	72 Å²	72	29.7 Å²	29.7	38%	0.377	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.6	177.1	-59.4	175.9	0	0	0	112.4	F847 T905 R909 L945 A946 N949	F847-L907 HydrophobicContact CE1-CD1 4.15Å; F847-L907 HydrophobicContact CE1-CD2 4.38Å; F847-L907 HydrophobicContact CE1-CG 3.88Å; F847-L907 HydrophobicContact CZ-CD2 3.97Å; F847-L907 HydrophobicContact CZ-CG 3.92Å; T905-L907 PolarHBondContact O-N 3.46Å; T905-L907 VanDerWaalsContact O-N 3.11Å; T905-L907 PolarHBondContact OG1-N 3Å; L907-R909 PolarHBondContact O-N 3.05Å; L907-R909 VanDerWaalsContact O-N 3.17Å; L907-L945 HydrophobicContact CD2-CB 4.22Å; L907-A946 HydrophobicContact CD2-CB 4.22Å; L907-N949 PolarHBondContact O-ND2 2.88Å
908	S	96.8	Very high	95	Very high	27 Å²	27	31 Å²	31	19%	0.189	17%	0.171	C	C	.	.			trans	-76.9	101.1	179	175.2	0	0	0	0	111.4	T905 P906 A910 D911 L912	T905-S908 VanDerWaalsContact O-CB 3.29Å; T905-S908 WeakPolarHBondContact O-CB 3.05Å; T905-S908 PolarHBondContact O-N 3.49Å; P906-S908 PolarHBondContact O-N 3.4Å; S908-A910 PolarHBondContact O-N 3.27Å; S908-D911 WeakPolarHBondContact CB-OD2 3.33Å; S908-D911 PolarHBondContact O-N 3.08Å; S908-D911 PolarHBondContact OG-N 3.27Å; S908-D911 PolarHBondContact OG-OD2 3.02Å; S908-L912 PolarHBondContact O-N 2.67Å; S908-L912 VanDerWaalsContact O-N 3.13Å
909	R	95.1	Very high	94.9	Very high	105 Å²	105	31.9 Å²	31.9	40%	0.396	18%	0.177	S	C	.	.	H	α-helix	trans	-52.9	-25.9	172.1	-67.4	-176.3	-178.8	-143.9	-17	113.2	L907 R913 N949 S952 M953	L907-R909 PolarHBondContact O-N 3.05Å; L907-R909 VanDerWaalsContact O-N 3.17Å; R909-R913 WeakPolarHBondContact O-CB 3.49Å; R909-R913 VanDerWaalsContact O-CG 3.27Å; R909-R913 WeakPolarHBondContact O-CG 3.48Å; R909-R913 PolarHBondContact O-N 3.28Å; R909-N949 PolarHBondContact NE-OD1 3.21Å; R909-N949 PolarHBondContact NH2-O 3.46Å; R909-N949 PolarHBondContact NH2-OD1 2.87Å; R909-S952 PolarHBondContact NH1-O 3.25Å; R909-S952 PolarHBondContact NH2-OG 2.93Å; R909-M953 HydrophobicContact CB-CE 4.37Å; R909-M953 HydrophobicContact CG-CG 4.42Å; R909-M953 HydrophobicContact CG-SD 4.4Å
910	A	94.2	Very high	94.8	Very high	44 Å²	44	32 Å²	32	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-71	-34.7	177.5	0	0	0	0	0	112.7	S908 A914	S908-A910 PolarHBondContact O-N 3.27Å; A910-A914 WeakPolarHBondContact O-CB 3.37Å; A910-A914 PolarHBondContact O-N 3.41Å
911	D	95.7	Very high	94.7	Very high	6 Å²	6	34 Å²	34	3%	0.032	19%	0.188	C	C	.	.	H	α-helix	trans	-78.7	-41.6	176.7	-63.2	-57.2	0	0	0	110.8	R830 L902 S908 R913 A914 V915	R830-D911 IonicContact CZ-OD1 2.72Å; R830-D911 VanDerWaalsContact CZ-OD1 3.22Å; R830-D911 IonicContact CZ-OD2 3.51Å; R830-D911 IonicContact NE-OD1 2.73Å; R830-D911 PolarHBondContact NE-OD1 3.32Å; R830-D911 IonicContact NE-OD2 3.63Å; R830-D911 IonicContact NH2-OD1 3.94Å; R830-D911 PolarHBondContact NH2-OD1 3.15Å; R830-D911 IonicContact NH2-OD2 3.01Å; R830-D911 PolarHBondContact NH2-OD2 3.21Å; L902-D911 HydrophobicContact CD2-CB 3.86Å; S908-D911 WeakPolarHBondContact CB-OD2 3.33Å; S908-D911 PolarHBondContact O-N 3.08Å; S908-D911 PolarHBondContact OG-N 3.27Å; S908-D911 PolarHBondContact OG-OD2 3.02Å; D911-R913 VanDerWaalsContact C-N 3.31Å; D911-R913 PolarHBondContact O-N 3.28Å; D911-A914 PolarHBondContact O-N 2.99Å; D911-A914 VanDerWaalsContact O-N 3.08Å; D911-V915 PolarHBondContact O-N 3.44Å
912	L	95.6	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-38.1	173	-60.9	-179	0	0	0	112.9	P906 S908 V915 I917 I950 M953	P906-L912 VanDerWaalsContact O-CD1 3.29Å; P906-L912 WeakPolarHBondContact O-CD1 3.12Å; S908-L912 PolarHBondContact O-N 2.67Å; S908-L912 VanDerWaalsContact O-N 3.13Å; L912-V915 WeakPolarHBondContact O-CG2 3.32Å; L912-I917 HydrophobicContact CB-CG2 4.18Å; L912-I917 HydrophobicContact CD2-CD1 3.96Å; L912-I917 WeakPolarHBondContact O-CB 3.45Å; L912-I917 VanDerWaalsContact O-CG2 3.29Å; L912-I917 WeakPolarHBondContact O-CG2 3.35Å; L912-I917 PolarHBondContact O-N 3.24Å; L912-I950 HydrophobicContact CD1-CG1 3.74Å; L912-M953 HydrophobicContact CB-CE 4.1Å; L912-M953 HydrophobicContact CB-SD 4.14Å; L912-M953 HydrophobicContact CD1-SD 3.88Å
913	R	93.7	Very high	94.7	Very high	106 Å²	106	33.9 Å²	33.9	40%	0.4	19%	0.187	S	C	.	.	H	α-helix	trans	-67.6	-39.7	172.1	-77.3	-173.8	-172.1	-69.5	7.6	112.3	R909 D911 V915 N916 M953 Q954 F955	R909-R913 WeakPolarHBondContact O-CB 3.49Å; R909-R913 VanDerWaalsContact O-CG 3.27Å; R909-R913 WeakPolarHBondContact O-CG 3.48Å; R909-R913 PolarHBondContact O-N 3.28Å; D911-R913 VanDerWaalsContact C-N 3.31Å; D911-R913 PolarHBondContact O-N 3.28Å; R913-V915 VanDerWaalsContact C-N 3.3Å; R913-V915 PolarHBondContact O-N 2.95Å; R913-N916 PolarHBondContact O-N 3.17Å; R913-M953 HydrophobicContact CG-CE 3.58Å; R913-Q954 VanDerWaalsContact CZ-O 3.24Å; R913-Q954 PolarHBondContact NH1-O 3.37Å; R913-Q954 PolarHBondContact NH2-O 3.27Å; R913-F955 HydrophobicContact CG-CE1 4.42Å
914	A	93.3	Very high	94.8	Very high	8 Å²	8	31.6 Å²	31.6	7%	0.066	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-24.2	-176.4	0	0	0	0	0	114.2	R830 A833 A834 A910 D911 N916	R830-A914 HydrophobicContact CB-CB 4.45Å; R830-A914 HydrophobicContact CG-CB 3.4Å; R830-A914 VanDerWaalsContact CG-CB 3.4Å; A833-A914 CarbonylContact C-O 3.59Å; A833-A914 VanDerWaalsContact C-O 3.22Å; A833-A914 HydrophobicContact CB-CB 4.34Å; A833-A914 WeakPolarHBondContact CB-O 3.15Å; A834-A914 HydrophobicContact CB-CB 4.48Å; A834-A914 PolarHBondContact N-O 2.97Å; A910-A914 WeakPolarHBondContact O-CB 3.37Å; A910-A914 PolarHBondContact O-N 3.41Å; D911-A914 PolarHBondContact O-N 2.99Å; D911-A914 VanDerWaalsContact O-N 3.08Å; A914-N916 VanDerWaalsContact C-N 3.33Å
915	V	94.3	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.7	170.6	-57.9	0	0	0	0	113.5	H841 V843 V878 V880 L902 D911 L912 R913 I917	H841-V915 PolarHBondContact CE1-O 2.97Å; H841-V915 PolarHBondContact NE2-O 2.76Å; H841-V915 VanDerWaalsContact NE2-O 3.17Å; V843-V915 HydrophobicContact CG1-CG2 4.24Å; V843-V915 HydrophobicContact CG2-CB 4.48Å; V843-V915 HydrophobicContact CG2-CG2 3.9Å; V878-V915 HydrophobicContact CG1-CG1 3.88Å; V880-V915 HydrophobicContact CG2-CG1 4.27Å; L902-V915 HydrophobicContact CD2-CG1 3.55Å; D911-V915 PolarHBondContact O-N 3.44Å; L912-V915 WeakPolarHBondContact O-CG2 3.32Å; R913-V915 VanDerWaalsContact C-N 3.3Å; R913-V915 PolarHBondContact O-N 2.95Å; V915-I917 HydrophobicContact CG2-CB 4.36Å
916	N	93.4	Very high	95	Very high	39 Å²	39	27.2 Å²	27.2	21%	0.209	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	53.5	-172.7	-47.5	-69.7	0	0	0	112.9	R913 A914 N918 L919	R913-N916 PolarHBondContact O-N 3.17Å; A914-N916 VanDerWaalsContact C-N 3.33Å; N916-N918 PolarHBondContact O-N 3.05Å; N916-L919 HydrophobicContact CB-CB 4.44Å; N916-L919 HydrophobicContact CB-CD1 4.33Å; N916-L919 WeakPolarHBondContact O-CA 3.35Å; N916-L919 PolarHBondContact O-N 3.48Å
917	I	94.5	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-57.2	-22.7	-178.3	-166.7	162.9	0	0	0	114.4	L912 V915 L919 C920 C923 I950 M953 F955 I999	L912-I917 HydrophobicContact CB-CG2 4.18Å; L912-I917 HydrophobicContact CD2-CD1 3.96Å; L912-I917 WeakPolarHBondContact O-CB 3.45Å; L912-I917 VanDerWaalsContact O-CG2 3.29Å; L912-I917 WeakPolarHBondContact O-CG2 3.35Å; L912-I917 PolarHBondContact O-N 3.24Å; V915-I917 HydrophobicContact CG2-CB 4.36Å; I917-L919 PolarHBondContact O-N 3.23Å; I917-C920 PolarHBondContact O-N 3.02Å; I917-C920 PolarHBondContact O-SG 3.33Å; I917-C923 HydrophobicContact CD1-CB 4.18Å; I917-I950 HydrophobicContact CD1-CD1 3.95Å; I917-I950 HydrophobicContact CD1-CG1 4Å; I917-I950 HydrophobicContact CD1-CG2 4.03Å; I917-M953 HydrophobicContact CG2-CE 4.38Å; I917-M953 HydrophobicContact CG2-SD 4.45Å; I917-F955 HydrophobicContact CG2-CE1 4.1Å; I917-F955 HydrophobicContact CG2-CZ 3.78Å; I917-I999 HydrophobicContact CG1-CD1 4.44Å; I917-I999 HydrophobicContact CG1-CG2 4.24Å; I917-I999 HydrophobicContact CG2-CD1 4.16Å
918	N	91.9	Very high	94.2	Very high	31 Å²	31	24.1 Å²	24.1	17%	0.166	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-73.5	-2.7	172.6	64.3	-44.1	0	0	0	114.2	N916 F955 I993 I999	N916-N918 PolarHBondContact O-N 3.05Å; N918-F955 HydrophobicContact CB-CD1 3.72Å; N918-F955 HydrophobicContact CB-CD2 3.87Å; N918-F955 HydrophobicContact CB-CE1 3.77Å; N918-F955 HydrophobicContact CB-CE2 3.93Å; N918-F955 HydrophobicContact CB-CG 3.79Å; N918-F955 HydrophobicContact CB-CZ 3.88Å; N918-F955 VanDerWaalsContact CG-CD1 3.45Å; N918-I993 HydrophobicContact CB-CB 4.31Å; N918-I993 HydrophobicContact CB-CG2 4.39Å; N918-I999 HydrophobicContact CB-CD1 4.49Å
919	L	92.7	Very high	93.2	Very high	67 Å²	67	23.7 Å²	23.7	35%	0.351	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-124.2	17.8	176.1	-56.4	177.8	0	0	0	112.1	S839 G840 H841 N916 I917	S839-L919 WeakPolarHBondContact CA-O 3.15Å; G840-L919 PolarHBondContact N-O 3.04Å; G840-L919 VanDerWaalsContact N-O 3.08Å; H841-L919 PolarHBondContact ND1-O 3.33Å; N916-L919 HydrophobicContact CB-CB 4.44Å; N916-L919 HydrophobicContact CB-CD1 4.33Å; N916-L919 WeakPolarHBondContact O-CA 3.35Å; N916-L919 PolarHBondContact O-N 3.48Å; I917-L919 PolarHBondContact O-N 3.23Å
920	C	94.8	Very high	91.8	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.054	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.9	171.8	78.9	0	0	0	0	111.3	H841 V843 I917 M922	H841-C920 CarbonylContact O-C 3.59Å; H841-C920 VanDerWaalsContact O-CA 3.28Å; H841-C920 WeakPolarHBondContact O-CA 3.42Å; H841-C920 WeakPolarHBondContact O-CB 3.25Å; V843-C920 HydrophobicContact CG2-CB 3.95Å; I917-C920 PolarHBondContact O-N 3.02Å; I917-C920 PolarHBondContact O-SG 3.33Å; C920-M922 VanDerWaalsContact C-N 3.33Å; C920-M922 VanDerWaalsContact SG-C 3.59Å
921	D	94.1	Very high	90.3	Very high	55 Å²	55	19.3 Å²	19.3	29%	0.294	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-23.9	172.2	-79.8	2.1	0	0	0	112.1	G840 H841 K875 P1000	G840-D921 WeakPolarHBondContact CA-OD1 3.5Å; H841-D921 PolarHBondContact O-N 3.17Å; K875-D921 HydrophobicContact CD-CB 4.15Å; K875-D921 VanDerWaalsContact CD-OD2 3.31Å; K875-D921 WeakPolarHBondContact CD-OD2 3.14Å; K875-D921 WeakPolarHBondContact CE-OD2 3.17Å; K875-D921 IonicContact NZ-OD2 3.81Å; K875-D921 PolarHBondContact NZ-OD2 3.37Å; D921-P1000 VanDerWaalsContact O-CG 3.23Å; D921-P1000 WeakPolarHBondContact O-CG 3.22Å
922	M	96.6	Very high	88.4	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	135.3	174.9	-167.7	56.2	60.1	0	0	110.2	C563 Q566 V842 V843 C920 V924 P1000 I1002	C563-M922 HydrophobicContact CB-CB 4.08Å; C563-M922 HydrophobicContact CB-CG 4.32Å; Q566-M922 HydrophobicContact CB-CE 3.96Å; Q566-M922 HydrophobicContact CG-CE 3.77Å; V842-M922 WeakPolarHBondContact CA-O 3.21Å; V843-M922 PolarHBondContact N-O 2.98Å; C920-M922 VanDerWaalsContact C-N 3.33Å; C920-M922 VanDerWaalsContact SG-C 3.59Å; M922-V924 HydrophobicContact CG-CG2 4.03Å; M922-P1000 HydrophobicContact CE-CB 3.87Å; M922-P1000 HydrophobicContact SD-CB 4.06Å; M922-I1002 HydrophobicContact CG-CG2 3.8Å; M922-I1002 HydrophobicContact SD-CB 4.05Å; M922-I1002 HydrophobicContact SD-CG2 3.76Å
923	C	97.6	Very high	86.9	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.4	160.4	-176.4	0	0	0	0	108.9	V843 I917 P1000 I1001 I1002	V843-C923 CarbonylContact O-C 3.57Å; V843-C923 WeakPolarHBondContact O-CA 3.48Å; I917-C923 HydrophobicContact CD1-CB 4.18Å; C923-P1000 PolarHBondContact N-O 3.07Å; C923-I1001 HydrophobicContact CB-CG1 4.26Å; C923-I1001 CarbonylContact O-C 3.29Å; C923-I1001 WeakPolarHBondContact O-CA 3.45Å; C923-I1002 PolarHBondContact O-N 3.3Å
924	V	98.2	Very high	85.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.2	176.3	-179.2	0	0	0	0	108.5	I559 C563 V842 V843 V844 C845 M922 L926 I1002	I559-V924 HydrophobicContact CG2-CB 4.35Å; I559-V924 HydrophobicContact CG2-CG1 3.45Å; I559-V924 VanDerWaalsContact CG2-CG1 3.45Å; I559-V924 HydrophobicContact CG2-CG2 3.92Å; C563-V924 WeakPolarHBondContact SG-CG2 3.44Å; V842-V924 HydrophobicContact CG1-CG2 4.09Å; V843-V924 PolarHBondContact O-N 2.95Å; V844-V924 CarbonylContact C-O 3.54Å; V844-V924 WeakPolarHBondContact CA-O 3Å; V844-V924 HydrophobicContact CG1-CB 4.31Å; V844-V924 HydrophobicContact CG1-CG1 4.4Å; V844-V924 HydrophobicContact CG2-CB 4.33Å; C845-V924 PolarHBondContact N-O 3.17Å; M922-V924 HydrophobicContact CG-CG2 4.03Å; V924-L926 HydrophobicContact CG1-CD1 4.37Å; V924-L926 HydrophobicContact CG1-CD2 3.76Å; V924-L926 HydrophobicContact CG1-CG 3.89Å; V924-I1002 WeakPolarHBondContact CA-O 3.16Å; V924-I1002 HydrophobicContact CB-CG2 4.37Å; V924-I1002 HydrophobicContact CG1-CG2 4.45Å; V924-I1002 HydrophobicContact CG2-CG2 3.9Å
925	I	97.5	Very high	84.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.9	179	-54.9	177.4	0	0	0	109.3	C845 F847 C943 A946 I950 I1001 I1002 T1003 E1004	C845-I925 HydrophobicContact CB-CG1 4.2Å; F847-I925 HydrophobicContact CE2-CG2 4.23Å; I925-C943 HydrophobicContact CG2-CB 4.2Å; I925-A946 HydrophobicContact CD1-CB 4.04Å; I925-A946 HydrophobicContact CG2-CB 4.16Å; I925-I950 HydrophobicContact CD1-CD1 3.88Å; I925-I1001 HydrophobicContact CD1-CG2 3.6Å; I925-I1001 HydrophobicContact CG1-CG2 4.12Å; I925-I1002 PolarHBondContact N-O 3.36Å; I925-T1003 HydrophobicContact CB-CG2 4.3Å; I925-T1003 HydrophobicContact CG2-CG2 4.43Å; I925-E1004 PolarHBondContact O-N 3.38Å
926	L	94.9	Very high	83.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.1	-177.8	-51.9	177	0	0	0	111.1	L556 I559 V844 C845 F847 I855 L857 L860 V924 E1004	L556-L926 HydrophobicContact CD2-CD1 3.83Å; L556-L926 HydrophobicContact CD2-CD2 4.11Å; I559-L926 HydrophobicContact CD1-CD2 4.04Å; V844-L926 HydrophobicContact CG1-CD1 4.08Å; C845-L926 PolarHBondContact O-N 3.04Å; F847-L926 PolarHBondContact N-O 2.68Å; I855-L926 HydrophobicContact CD1-CB 3.98Å; I855-L926 HydrophobicContact CD1-CD1 4.43Å; L857-L926 HydrophobicContact CD2-CD1 3.97Å; L860-L926 HydrophobicContact CD2-CD1 4.34Å; V924-L926 HydrophobicContact CG1-CD1 4.37Å; V924-L926 HydrophobicContact CG1-CD2 3.76Å; V924-L926 HydrophobicContact CG1-CG 3.89Å; L926-E1004 HydrophobicContact CD2-CB 4.07Å
927	S	89.3	Confident	83.1	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.8	168.1	178.9	0	0	0	0	110.7	N929 Q930	S927-N929 PolarHBondContact OG-N 3.09Å; S927-N929 VanDerWaalsContact OG-N 3.11Å; S927-Q930 WeakPolarHBondContact O-CG 3.41Å; S927-Q930 PolarHBondContact O-NE2 3.35Å
928	A	83.6	Confident	82.7	Confident	6 Å²	6	41.4 Å²	41.4	5%	0.05	23%	0.229	C	C	.	.	S	Bend	trans	-96.6	-11.2	164.2	0	0	0	0	0	111.9	F847 S852 I855 Y885 Q930	F847-A928 WeakPolarHBondContact O-CB 3.48Å; F847-A928 PolarHBondContact O-N 3.31Å; S852-A928 WeakPolarHBondContact OG-CB 3.36Å; I855-A928 HydrophobicContact CD1-CB 3.94Å; I855-A928 HydrophobicContact CG1-CB 3.84Å; Y885-A928 HydrophobicContact CE2-CB 3.88Å; A928-Q930 PolarHBondContact O-N 2.94Å
929	N	77	Confident	82.3	Confident	18 Å²	18	40.9 Å²	40.9	10%	0.096	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-85.7	12.5	-175.1	-82.1	-14.3	0	0	0	114	D849 S852 S927 N931 N932	D849-N929 PolarHBondContact OD2-ND2 3.44Å; D849-N929 PolarHBondContact OD2-OD1 2.89Å; S852-N929 VanDerWaalsContact CB-OD1 3.28Å; S852-N929 WeakPolarHBondContact CB-OD1 3.38Å; S927-N929 PolarHBondContact OG-N 3.09Å; S927-N929 VanDerWaalsContact OG-N 3.11Å; N929-N931 PolarHBondContact O-N 2.93Å; N929-N932 PolarHBondContact O-N 3.02Å
930	Q	65.2	Low	82.2	Confident	22 Å²	22	37.7 Å²	37.7	10%	0.103	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-53.3	-31.1	-175.6	-50.3	-172.6	2.3	0	0	113.3	S927 A928 E1004 V1006	S927-Q930 WeakPolarHBondContact O-CG 3.41Å; S927-Q930 PolarHBondContact O-NE2 3.35Å; A928-Q930 PolarHBondContact O-N 2.94Å; Q930-E1004 PolarHBondContact NE2-OE1 2.91Å; Q930-V1006 HydrophobicContact CB-CG2 4Å; Q930-V1006 HydrophobicContact CG-CG2 3.71Å
931	N	61.7	Low	82	Confident	36 Å²	36	41.5 Å²	41.5	19%	0.193	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-94.8	-1.4	-166.2	-47.9	-11	0	0	0	114.7	C495 A496 N929	C495-N931 PolarHBondContact O-ND2 3.34Å; A496-N931 PolarHBondContact O-ND2 2.92Å; N929-N931 PolarHBondContact O-N 2.93Å
932	N	56.8	Low	81.9	Confident	102 Å²	102	41.4 Å²	41.4	55%	0.545	22%	0.222	S	C	.	.	S	Bend	trans	-108.7	13.8	-166.8	-73.4	-31.6	0	0	0	114.5	N929	N929-N932 PolarHBondContact O-N 3.02Å
933	I	64.1	Low	81.8	Confident	40 Å²	40	41.4 Å²	41.4	21%	0.205	22%	0.222	C	C	.	.			trans	-133	118.1	-174.5	-58.3	172.6	0	0	0	109.5	D935 L938 Q939 K941	I933-D935 VanDerWaalsContact C-N 3.25Å; I933-D935 HydrophobicContact CG2-CB 4.4Å; I933-D935 WeakPolarHBondContact CG2-O 3.48Å; I933-D935 PolarHBondContact O-N 3.37Å; I933-L938 HydrophobicContact CG2-CB 4.1Å; I933-Q939 HydrophobicContact CB-CG 4.18Å; I933-Q939 PolarHBondContact O-NE2 2.91Å; I933-K941 HydrophobicContact CD1-CD 4.43Å; I933-K941 VanDerWaalsContact CD1-NZ 3.34Å
934	D	63.3	Low	81.6	Confident	177 Å²	177	42.3 Å²	42.3	95%	0.947	23%	0.226	S	C	*	.	S	Bend	trans	-65.8	-23.9	-177.8	-60.1	-50.5	0	0	0	113.8
935	D	76.8	Confident	81.5	Confident	76 Å²	76	47.1 Å²	47.1	41%	0.406	25%	0.252	S	S	.	.			trans	-93.3	111.2	177.3	-173.3	-29.8	0	0	0	110.4	I933 S937 L938	I933-D935 VanDerWaalsContact C-N 3.25Å; I933-D935 HydrophobicContact CG2-CB 4.4Å; I933-D935 WeakPolarHBondContact CG2-O 3.48Å; I933-D935 PolarHBondContact O-N 3.37Å; D935-S937 PolarHBondContact O-N 3Å; D935-S937 WeakPolarHBondContact OD1-CB 3.43Å; D935-S937 PolarHBondContact OD1-N 2.81Å; D935-S937 PolarHBondContact OD1-OG 2.56Å; D935-L938 HydrophobicContact CB-CB 4.3Å; D935-L938 HydrophobicContact CB-CD1 4.14Å; D935-L938 HydrophobicContact CB-CG 4.28Å; D935-L938 PolarHBondContact O-N 3.02Å; D935-L938 VanDerWaalsContact O-N 3.11Å
936	T	75.1	Confident	81.4	Confident	85 Å²	85	47.1 Å²	47.1	52%	0.521	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.4	-178	55.3	0	0	0	0	114.1	N1007	T936-N1007 PolarHBondContact O-ND2 3.49Å
937	S	79.5	Confident	81.5	Confident	54 Å²	54	47.2 Å²	47.2	38%	0.378	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-32.4	172	72.2	0	0	0	0	111.9	D935 Q939 N1010	D935-S937 PolarHBondContact O-N 3Å; D935-S937 WeakPolarHBondContact OD1-CB 3.43Å; D935-S937 PolarHBondContact OD1-N 2.81Å; D935-S937 PolarHBondContact OD1-OG 2.56Å; S937-Q939 PolarHBondContact O-N 3.45Å; S937-N1010 PolarHBondContact O-ND2 3.44Å; S937-N1010 PolarHBondContact O-OD1 3.31Å
938	L	85.4	Confident	81.7	Confident	89 Å²	89	49.3 Å²	49.3	47%	0.466	26%	0.263	S	S	.	.	S	Bend	trans	-89.5	2.5	-172.5	-65.1	178.6	0	0	0	114.5	I933 D935 K941	I933-L938 HydrophobicContact CG2-CB 4.1Å; D935-L938 HydrophobicContact CB-CB 4.3Å; D935-L938 HydrophobicContact CB-CD1 4.14Å; D935-L938 HydrophobicContact CB-CG 4.28Å; D935-L938 PolarHBondContact O-N 3.02Å; D935-L938 VanDerWaalsContact O-N 3.11Å; L938-K941 WeakPolarHBondContact O-CD 3.4Å; L938-K941 WeakPolarHBondContact O-CG 3.22Å
939	Q	84.1	Confident	82.3	Confident	19 Å²	19	50.1 Å²	50.1	9%	0.089	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-39	-178.4	-71.8	174.6	-4.4	0	0	112.7	I933 S937 K941 V1006	I933-Q939 HydrophobicContact CB-CG 4.18Å; I933-Q939 PolarHBondContact O-NE2 2.91Å; S937-Q939 PolarHBondContact O-N 3.45Å; Q939-K941 VanDerWaalsContact C-N 3.34Å; Q939-K941 PolarHBondContact O-N 3.41Å; Q939-V1006 HydrophobicContact CB-CB 4.5Å
940	D	90	Very high	83.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.4	-176.3	-61.5	-58.6	0	0	0	114.9	E942 C943 I944 L1005 V1006 N1007 N1010	D940-E942 PolarHBondContact O-N 3.18Å; D940-C943 WeakPolarHBondContact O-CB 3.46Å; D940-C943 PolarHBondContact O-N 2.94Å; D940-I944 HydrophobicContact CB-CD1 3.85Å; D940-I944 HydrophobicContact CB-CG1 4.23Å; D940-I944 WeakPolarHBondContact O-CG1 3.42Å; D940-I944 PolarHBondContact O-N 3.29Å; D940-L1005 HydrophobicContact CB-CD2 4.01Å; D940-L1005 WeakPolarHBondContact OD1-CA 3.18Å; D940-V1006 PolarHBondContact OD1-N 2.96Å; D940-V1006 PolarHBondContact OD2-N 3.08Å; D940-N1007 PolarHBondContact OD2-N 3.22Å; D940-N1010 HydrophobicContact CB-CB 4.26Å; D940-N1010 PolarHBondContact OD2-ND2 2.99Å
941	K	91.3	Very high	84.5	Confident	88 Å²	88	50.2 Å²	50.2	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-50.5	-38.4	-171.4	72	-169.2	175.8	-167.2	0	113.7	I933 L938 Q939 L945	I933-K941 HydrophobicContact CD1-CD 4.43Å; I933-K941 VanDerWaalsContact CD1-NZ 3.34Å; L938-K941 WeakPolarHBondContact O-CD 3.4Å; L938-K941 WeakPolarHBondContact O-CG 3.22Å; Q939-K941 VanDerWaalsContact C-N 3.34Å; Q939-K941 PolarHBondContact O-N 3.41Å; K941-L945 VanDerWaalsContact O-CB 3.27Å; K941-L945 WeakPolarHBondContact O-CB 3.39Å; K941-L945 WeakPolarHBondContact O-CD1 3.43Å; K941-L945 WeakPolarHBondContact O-CG 3.01Å; K941-L945 PolarHBondContact O-N 3.06Å
942	E	91.9	Very high	86	Confident	53 Å²	53	51.7 Å²	51.7	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-77	-38.8	-176.2	-53.3	-169.9	142.9	0	0	111.3	F847 D940 A946	F847-E942 HydrophobicContact CB-CB 4.46Å; F847-E942 HydrophobicContact CD1-CB 3.85Å; F847-E942 HydrophobicContact CD1-CG 4.5Å; F847-E942 HydrophobicContact CD2-CB 3.96Å; F847-E942 HydrophobicContact CE1-CB 4.01Å; F847-E942 HydrophobicContact CE2-CB 4.11Å; F847-E942 WeakPolarHBondContact CE2-O 3.2Å; F847-E942 HydrophobicContact CG-CB 3.82Å; F847-E942 HydrophobicContact CZ-CB 4.13Å; D940-E942 PolarHBondContact O-N 3.18Å; E942-A946 VanDerWaalsContact O-CB 3.29Å; E942-A946 WeakPolarHBondContact O-CB 3.49Å; E942-A946 PolarHBondContact O-N 3.08Å
943	C	94	Very high	87.7	Confident	1 Å²	1	47 Å²	47	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-46.7	173.4	-72.5	0	0	0	0	112.1	I925 D940 A946 S947 T1003	I925-C943 HydrophobicContact CG2-CB 4.2Å; D940-C943 WeakPolarHBondContact O-CB 3.46Å; D940-C943 PolarHBondContact O-N 2.94Å; C943-A946 PolarHBondContact O-N 3.14Å; C943-S947 WeakPolarHBondContact O-CB 3.47Å; C943-S947 PolarHBondContact O-N 2.84Å; C943-S947 PolarHBondContact O-OG 3.22Å; C943-T1003 HydrophobicContact CB-CG2 3.65Å
944	I	94.9	Very high	89	Confident	18 Å²	18	51.9 Å²	51.9	9%	0.092	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-49.3	179.1	-61.3	161.7	0	0	0	110.2	D940 A946 S947 L948 N1010 F1013 L1014	D940-I944 HydrophobicContact CB-CD1 3.85Å; D940-I944 HydrophobicContact CB-CG1 4.23Å; D940-I944 WeakPolarHBondContact O-CG1 3.42Å; D940-I944 PolarHBondContact O-N 3.29Å; I944-A946 VanDerWaalsContact C-N 3.31Å; I944-A946 PolarHBondContact O-N 3.19Å; I944-S947 WeakPolarHBondContact O-CB 3.47Å; I944-S947 PolarHBondContact O-N 3.09Å; I944-S947 VanDerWaalsContact O-N 3.13Å; I944-L948 HydrophobicContact CG2-CD1 3.97Å; I944-L948 HydrophobicContact CG2-CG 4.42Å; I944-L948 WeakPolarHBondContact O-CG 3.43Å; I944-L948 PolarHBondContact O-N 3.39Å; I944-N1010 HydrophobicContact CD1-CB 4.14Å; I944-F1013 HydrophobicContact CD1-CB 4.31Å; I944-F1013 HydrophobicContact CD1-CD2 4.18Å; I944-F1013 HydrophobicContact CG2-CB 3.89Å; I944-L1014 HydrophobicContact CG1-CD2 4.28Å
945	L	95.3	Very high	90.2	Very high	102 Å²	102	44.2 Å²	44.2	53%	0.534	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-39	178.4	-74.6	170.8	0	0	0	112.2	L907 K941 N949	L907-L945 HydrophobicContact CD2-CB 4.22Å; K941-L945 VanDerWaalsContact O-CB 3.27Å; K941-L945 WeakPolarHBondContact O-CB 3.39Å; K941-L945 WeakPolarHBondContact O-CD1 3.43Å; K941-L945 WeakPolarHBondContact O-CG 3.01Å; K941-L945 PolarHBondContact O-N 3.06Å; L945-N949 WeakPolarHBondContact O-CB 3.3Å; L945-N949 PolarHBondContact O-N 3.43Å
946	A	95.9	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-44.2	173.5	0	0	0	0	0	112.5	F847 L907 I925 E942 C943 I944 N949 I950	F847-A946 HydrophobicContact CE2-CB 3.78Å; F847-A946 HydrophobicContact CZ-CB 3.88Å; L907-A946 HydrophobicContact CD2-CB 4.22Å; I925-A946 HydrophobicContact CD1-CB 4.04Å; I925-A946 HydrophobicContact CG2-CB 4.16Å; E942-A946 VanDerWaalsContact O-CB 3.29Å; E942-A946 WeakPolarHBondContact O-CB 3.49Å; E942-A946 PolarHBondContact O-N 3.08Å; C943-A946 PolarHBondContact O-N 3.14Å; I944-A946 VanDerWaalsContact C-N 3.31Å; I944-A946 PolarHBondContact O-N 3.19Å; A946-N949 WeakPolarHBondContact O-CB 3.45Å; A946-N949 PolarHBondContact O-N 2.63Å; A946-I950 WeakPolarHBondContact O-CD1 3.29Å; A946-I950 WeakPolarHBondContact O-CG1 3.04Å; A946-I950 PolarHBondContact O-N 2.7Å
947	S	95.6	Very high	89.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-50.7	178.3	-56.1	0	0	0	0	111.5	C943 I944 N949 I950 K951 T1003	C943-S947 WeakPolarHBondContact O-CB 3.47Å; C943-S947 PolarHBondContact O-N 2.84Å; C943-S947 PolarHBondContact O-OG 3.22Å; I944-S947 WeakPolarHBondContact O-CB 3.47Å; I944-S947 PolarHBondContact O-N 3.09Å; I944-S947 VanDerWaalsContact O-N 3.13Å; S947-N949 VanDerWaalsContact C-N 3.35Å; S947-N949 PolarHBondContact O-N 3.14Å; S947-I950 PolarHBondContact O-N 3.04Å; S947-K951 WeakPolarHBondContact O-CG 3.33Å; S947-K951 PolarHBondContact O-N 2.74Å; S947-T1003 PolarHBondContact OG-OG1 3Å
948	L	94.9	Very high	88.7	Confident	48 Å²	48	46.3 Å²	46.3	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-33.6	177.8	-63.6	176.1	0	0	0	112.3	I944 S952	I944-L948 HydrophobicContact CG2-CD1 3.97Å; I944-L948 HydrophobicContact CG2-CG 4.42Å; I944-L948 WeakPolarHBondContact O-CG 3.43Å; I944-L948 PolarHBondContact O-N 3.39Å; L948-S952 WeakPolarHBondContact O-CB 3.29Å; L948-S952 PolarHBondContact O-N 3.21Å; L948-S952 VanDerWaalsContact O-N 3.1Å; L948-S952 PolarHBondContact O-OG 2.92Å
949	N	95.8	Very high	87.1	Confident	23 Å²	23	47 Å²	47	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-42.5	175.2	-175.2	38.9	0	0	0	111.8	L907 R909 L945 A946 S947 S952 M953	L907-N949 PolarHBondContact O-ND2 2.88Å; R909-N949 PolarHBondContact NE-OD1 3.21Å; R909-N949 PolarHBondContact NH2-O 3.46Å; R909-N949 PolarHBondContact NH2-OD1 2.87Å; L945-N949 WeakPolarHBondContact O-CB 3.3Å; L945-N949 PolarHBondContact O-N 3.43Å; A946-N949 WeakPolarHBondContact O-CB 3.45Å; A946-N949 PolarHBondContact O-N 2.63Å; S947-N949 VanDerWaalsContact C-N 3.35Å; S947-N949 PolarHBondContact O-N 3.14Å; N949-S952 PolarHBondContact O-OG 3.37Å; N949-M953 WeakPolarHBondContact O-CG 3.44Å
950	I	95.3	Very high	85.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.2	-49.3	177	-63.3	157.3	0	0	0	110.7	L912 I917 I925 A946 S947 S952 M953 G996 I999 I1001	L912-I950 HydrophobicContact CD1-CG1 3.74Å; I917-I950 HydrophobicContact CD1-CD1 3.95Å; I917-I950 HydrophobicContact CD1-CG1 4Å; I917-I950 HydrophobicContact CD1-CG2 4.03Å; I925-I950 HydrophobicContact CD1-CD1 3.88Å; A946-I950 WeakPolarHBondContact O-CD1 3.29Å; A946-I950 WeakPolarHBondContact O-CG1 3.04Å; A946-I950 PolarHBondContact O-N 2.7Å; S947-I950 PolarHBondContact O-N 3.04Å; I950-S952 PolarHBondContact O-N 3.13Å; I950-S952 VanDerWaalsContact O-N 3.11Å; I950-M953 WeakPolarHBondContact O-CB 3.12Å; I950-M953 PolarHBondContact O-N 2.92Å; I950-G996 WeakPolarHBondContact O-CA 3.28Å; I950-I999 HydrophobicContact CG2-CB 4.22Å; I950-I999 HydrophobicContact CG2-CD1 3.77Å; I950-I999 HydrophobicContact CG2-CG2 4.1Å; I950-I1001 HydrophobicContact CB-CD1 3.87Å; I950-I1001 HydrophobicContact CD1-CD1 4.38Å; I950-I1001 HydrophobicContact CG2-CD1 3.69Å; I950-I1001 HydrophobicContact CG2-CG1 4.27Å
951	K	92.8	Very high	83	Confident	42 Å²	42	53.1 Å²	53.1	18%	0.183	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-31	178.9	-73.8	-177.5	178.1	178.7	0	112.6	S947 G996 V997 I1001 L1014 D1015	S947-K951 WeakPolarHBondContact O-CG 3.33Å; S947-K951 PolarHBondContact O-N 2.74Å; K951-G996 CarbonylContact O-C 3.58Å; K951-V997 PolarHBondContact O-N 3.28Å; K951-V997 VanDerWaalsContact O-N 3.14Å; K951-I1001 HydrophobicContact CG-CD1 3.99Å; K951-L1014 PolarHBondContact NZ-O 3Å; K951-D1015 IonicContact NZ-OD1 3.76Å; K951-D1015 PolarHBondContact NZ-OD1 3.46Å
952	S	93	Very high	80.4	Confident	67 Å²	67	54.6 Å²	54.6	47%	0.469	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	17	177.7	62.3	0	0	0	0	115.6	R909 L948 N949 I950	R909-S952 PolarHBondContact NH1-O 3.25Å; R909-S952 PolarHBondContact NH2-OG 2.93Å; L948-S952 WeakPolarHBondContact O-CB 3.29Å; L948-S952 PolarHBondContact O-N 3.21Å; L948-S952 VanDerWaalsContact O-N 3.1Å; L948-S952 PolarHBondContact O-OG 2.92Å; N949-S952 PolarHBondContact O-OG 3.37Å; I950-S952 PolarHBondContact O-N 3.13Å; I950-S952 VanDerWaalsContact O-N 3.11Å
953	M	93.4	Very high	78.1	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	32%	0.322	C	S	.	.			trans	-83	155.7	168.5	-68	177.6	70.9	0	0	112.1	R909 L912 R913 I917 N949 I950 F955 G996	R909-M953 HydrophobicContact CB-CE 4.37Å; R909-M953 HydrophobicContact CG-CG 4.42Å; R909-M953 HydrophobicContact CG-SD 4.4Å; L912-M953 HydrophobicContact CB-CE 4.1Å; L912-M953 HydrophobicContact CB-SD 4.14Å; L912-M953 HydrophobicContact CD1-SD 3.88Å; R913-M953 HydrophobicContact CG-CE 3.58Å; I917-M953 HydrophobicContact CG2-CE 4.38Å; I917-M953 HydrophobicContact CG2-SD 4.45Å; N949-M953 WeakPolarHBondContact O-CG 3.44Å; I950-M953 WeakPolarHBondContact O-CB 3.12Å; I950-M953 PolarHBondContact O-N 2.92Å; M953-F955 HydrophobicContact CB-CE2 3.58Å; M953-F955 HydrophobicContact CB-CZ 3.72Å; M953-F955 HydrophobicContact CE-CE1 3.92Å; M953-F955 HydrophobicContact CE-CZ 3.66Å; M953-F955 HydrophobicContact SD-CZ 4.18Å; M953-G996 PolarHBondContact O-N 3.45Å
954	Q	90.8	Very high	75.4	Confident	142 Å²	142	61.3 Å²	61.3	66%	0.664	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-130.1	147.2	173.9	-68.1	176	-12.8	0	0	109.2	R913 T994	R913-Q954 VanDerWaalsContact CZ-O 3.24Å; R913-Q954 PolarHBondContact NH1-O 3.37Å; R913-Q954 PolarHBondContact NH2-O 3.27Å; Q954-T994 CarbonylContact C-O 3.44Å; Q954-T994 WeakPolarHBondContact CA-O 3.39Å
955	F	88.7	Confident	72.5	Confident	16 Å²	16	66.4 Å²	66.4	7%	0.07	38%	0.382	C	S	.	.			trans	-136	141	-172.8	-57.9	-94.9	0	0	0	111.5	R913 I917 N918 M953 T994 I999	R913-F955 HydrophobicContact CG-CE1 4.42Å; I917-F955 HydrophobicContact CG2-CE1 4.1Å; I917-F955 HydrophobicContact CG2-CZ 3.78Å; N918-F955 HydrophobicContact CB-CD1 3.72Å; N918-F955 HydrophobicContact CB-CD2 3.87Å; N918-F955 HydrophobicContact CB-CE1 3.77Å; N918-F955 HydrophobicContact CB-CE2 3.93Å; N918-F955 HydrophobicContact CB-CG 3.79Å; N918-F955 HydrophobicContact CB-CZ 3.88Å; N918-F955 VanDerWaalsContact CG-CD1 3.45Å; M953-F955 HydrophobicContact CB-CE2 3.58Å; M953-F955 HydrophobicContact CB-CZ 3.72Å; M953-F955 HydrophobicContact CE-CE1 3.92Å; M953-F955 HydrophobicContact CE-CZ 3.66Å; M953-F955 HydrophobicContact SD-CZ 4.18Å; F955-T994 PolarHBondContact N-O 3.37Å; F955-I999 HydrophobicContact CE2-CD1 3.88Å; F955-I999 HydrophobicContact CZ-CD1 4.03Å
956	D	81.6	Confident	69.8	Low	114 Å²	114	66 Å²	66	61%	0.61	39%	0.387	S	S	*	.			trans	-102.5	116.8	-176.6	-57	-65	0	0	0	111.7	S958 I959	D956-S958 PolarHBondContact O-N 2.94Å; D956-I959 PolarHBondContact O-N 3.41Å
957	D	64.2	Low	67	Low	80 Å²	80	74.8 Å²	74.8	43%	0.428	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.1	-179.9	-71.3	8.2	0	0	0	114.3	I959 S992 T994	D957-I959 VanDerWaalsContact C-N 3.26Å; D957-I959 PolarHBondContact O-N 3.42Å; D957-S992 VanDerWaalsContact CG-CB 3.45Å; D957-S992 VanDerWaalsContact CG-OG 3.3Å; D957-S992 WeakPolarHBondContact OD1-CB 3.35Å; D957-S992 VanDerWaalsContact OD2-CB 3.25Å; D957-S992 WeakPolarHBondContact OD2-CB 3.49Å; D957-S992 PolarHBondContact OD2-OG 3.01Å; D957-T994 WeakPolarHBondContact OD1-CG2 3.25Å
958	S	53.7	Low	64	Low	65 Å²	65	78.2 Å²	78.2	46%	0.455	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.8	-179.4	56.9	0	0	0	0	113.6	D956 G960 V961 L962	D956-S958 PolarHBondContact O-N 2.94Å; S958-G960 VanDerWaalsContact C-N 3.35Å; S958-G960 PolarHBondContact O-N 2.99Å; S958-V961 PolarHBondContact O-N 2.91Å; S958-V961 VanDerWaalsContact O-N 3.12Å; S958-L962 WeakPolarHBondContact O-CG 3.31Å; S958-L962 PolarHBondContact O-N 2.93Å; S958-L962 VanDerWaalsContact O-N 3.15Å
959	I	51.7	Low	60.8	Low	104 Å²	104	85 Å²	85	53%	0.533	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-42.5	-177	-65.7	174.2	0	0	0	111.1	D956 D957 V961 L962 Q963	D956-I959 PolarHBondContact O-N 3.41Å; D957-I959 VanDerWaalsContact C-N 3.26Å; D957-I959 PolarHBondContact O-N 3.42Å; I959-V961 PolarHBondContact O-N 2.9Å; I959-L962 PolarHBondContact O-N 2.8Å; I959-Q963 PolarHBondContact O-N 2.69Å
960	G	47.7	Very low	57.6	Low	65 Å²	65	90.1 Å²	90.1	67%	0.67	52%	0.524	S	S	*	.	H	α-helix	trans	-66.6	-16.8	178.5	0	0	0	0	0	114.7	S958	S958-G960 VanDerWaalsContact C-N 3.35Å; S958-G960 PolarHBondContact O-N 2.99Å
961	V	39.6	Very low	54.6	Low	83 Å²	83	95.4 Å²	95.4	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-95.2	-30.7	178.5	-177.7	0	0	0	0	111.8	S958 I959 N965	S958-V961 PolarHBondContact O-N 2.91Å; S958-V961 VanDerWaalsContact O-N 3.12Å; I959-V961 PolarHBondContact O-N 2.9Å; V961-N965 PolarHBondContact O-ND2 3.18Å
962	L	37.3	Very low	51.6	Low	120 Å²	120	99.8 Å²	99.8	63%	0.628	59%	0.591	S	S	*	*	H	α-helix	trans	-81.3	-36.6	-177.4	-69	171.8	0	0	0	112.8	S958 I959 A964 N965	S958-L962 WeakPolarHBondContact O-CG 3.31Å; S958-L962 PolarHBondContact O-N 2.93Å; S958-L962 VanDerWaalsContact O-N 3.15Å; I959-L962 PolarHBondContact O-N 2.8Å; L962-A964 VanDerWaalsContact C-N 3.28Å; L962-A964 PolarHBondContact O-N 3.48Å; L962-N965 PolarHBondContact O-N 3.46Å
963	Q	44	Very low	49	Very low	110 Å²	110	100.3 Å²	100.3	51%	0.514	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-65.8	-30.8	-177.5	-150.3	171.5	17.6	0	0	112.6	I959 S966	I959-Q963 PolarHBondContact O-N 2.69Å; Q963-S966 PolarHBondContact O-OG 3.07Å
964	A	38.2	Very low	46.1	Very low	84 Å²	84	109.3 Å²	109.3	69%	0.694	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-72.8	-23	176.7	0	0	0	0	0	114.8	L962	L962-A964 VanDerWaalsContact C-N 3.28Å; L962-A964 PolarHBondContact O-N 3.48Å
965	N	34.1	Very low	43	Very low	126 Å²	126	110.4 Å²	110.4	67%	0.674	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-98.8	6.5	-173.9	-76.4	-55.6	0	0	0	114	V961 L962	V961-N965 PolarHBondContact O-ND2 3.18Å; L962-N965 PolarHBondContact O-N 3.46Å
966	S	37.3	Very low	40.7	Very low	92 Å²	92	121.7 Å²	121.7	64%	0.643	70%	0.704	S	S	*	*			trans	-84.1	-15.8	-174.1	61.5	0	0	0	0	115	Q963 G968	Q963-S966 PolarHBondContact O-OG 3.07Å; S966-G968 PolarHBondContact O-N 3.02Å
967	Q	38.5	Very low	38.1	Very low	185 Å²	185	121.3 Å²	121.3	86%	0.864	71%	0.711	S	S	*	*	S	Bend	trans	-92.3	85.1	172.8	-65.9	-164.3	9.1	0	0	110.5	F969	Q967-F969 PolarHBondContact O-N 2.03Å
968	G	30.8	Very low	36.4	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	73%	0.727	S	S	*	*			trans	-71.8	112.5	-175.4	0	0	0	0	0	114	S966	S966-G968 PolarHBondContact O-N 3.02Å
969	F	28.6	Very low	35.6	Very low	191 Å²	191	125.8 Å²	125.8	84%	0.838	75%	0.745	S	S	*	*			trans	-143.9	106.2	156.9	-144.2	-88.3	0	0	0	110.6	Q967	Q967-F969 PolarHBondContact O-N 2.03Å
970	T	28.7	Very low	34.7	Very low	130 Å²	130	127.9 Å²	127.9	80%	0.798	76%	0.757	S	S	*	*			trans	-107.2	116.2	176.8	40.9	0	0	0	0	110.2
971	P	31.2	Very low	34	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	77%	0.766	S	S	*	*			trans	-67.1	138.3	164.8	-16.4	31.1	0	0	0	109.9
972	P	31.4	Very low	33.3	Very low	135 Å²	135	133.4 Å²	133.4	88%	0.877	78%	0.777	S	S	*	*	S	Bend	trans	-77.3	137.5	177.3	30.7	-33.7	0	0	0	111.7
973	G	38.1	Very low	33.2	Very low	78 Å²	78	134.2 Å²	134.2	80%	0.804	79%	0.789	S	S	*	*			trans	112.4	63.1	161.6	0	0	0	0	0	117.3
974	M	32.1	Very low	32.5	Very low	191 Å²	191	134.9 Å²	134.9	94%	0.941	80%	0.801	S	S	*	*			trans	-155.7	124.9	149.4	-124.2	173	179.8	0	0	111.4
975	D	26.3	Very low	32.2	Very low	166 Å²	166	140.5 Å²	140.5	89%	0.888	81%	0.812	S	S	*	*			trans	-79.6	149.7	-176.4	-74.3	-62.2	0	0	0	113.4	S977	D975-S977 PolarHBondContact O-N 3.41Å
976	R	39.1	Very low	31.9	Very low	252 Å²	252	138.3 Å²	138.3	95%	0.951	82%	0.82	S	S	*	*			trans	-77.3	116.7	178.5	-72.4	177.9	169.4	-179.9	-3.9	111.8
977	S	28.5	Very low	31.3	Very low	107 Å²	107	142.5 Å²	142.5	75%	0.748	83%	0.831	S	S	*	*			trans	-155.8	153.4	152	62.1	0	0	0	0	111.8	D975	D975-S977 PolarHBondContact O-N 3.41Å
978	S	27.5	Very low	30.9	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	83%	0.826	S	S	*	*			trans	68.3	103.9	172	-45.3	0	0	0	0	117.4
979	P	36.3	Very low	31	Very low	129 Å²	129	147.8 Å²	147.8	84%	0.838	83%	0.83	S	S	*	*			trans	-94	90.6	167.6	35.1	-28.1	0	0	0	111.1
980	D	34.3	Very low	31.5	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	82%	0.821	S	S	*	*			trans	-159	149.3	160.2	-118	-32.7	0	0	0	112.2
981	N	31.9	Very low	32.1	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	82%	0.82	S	S	*	*			trans	61	89	179.1	-60.5	-64.4	0	0	0	118
982	S	25.8	Very low	33	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	81%	0.807	S	S	*	*			trans	-139.8	135.6	145	67.8	0	0	0	0	111.3	V984	S982-V984 PolarHBondContact O-N 3.19Å
983	P	34.2	Very low	34.4	Very low	136 Å²	136	137.9 Å²	137.9	88%	0.883	78%	0.775	S	S	*	*			trans	-88.2	71.4	-169.1	35.1	-36.5	0	0	0	112.7
984	V	28.8	Very low	35.9	Very low	125 Å²	125	137.3 Å²	137.3	76%	0.758	76%	0.756	S	S	*	*			trans	-131.5	72.3	171.7	-168.2	0	0	0	0	110.9	S982	S982-V984 PolarHBondContact O-N 3.19Å
985	H	33.6	Very low	38.3	Very low	201 Å²	201	131 Å²	131	93%	0.931	73%	0.728	S	S	*	*			trans	-139.5	115.2	162.2	-106.5	48.3	0	0	0	108.8
986	G	26.3	Very low	40.9	Very low	81 Å²	81	123 Å²	123	84%	0.835	69%	0.686	S	S	*	*			trans	-173.6	12	-171.6	0	0	0	0	0	115
987	M	25.3	Very low	43.2	Very low	180 Å²	180	114.8 Å²	114.8	89%	0.887	66%	0.663	S	S	*	*	S	Bend	trans	-132.5	120.4	164.2	-75.1	-171.6	-72.8	0	0	107.2	R989	M987-R989 PolarHBondContact O-N 3.34Å
988	L	30.4	Very low	46.1	Very low	143 Å²	143	112.4 Å²	112.4	75%	0.749	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-61.6	123.2	168.3	-76.2	157.5	0	0	0	107.8
989	R	31.7	Very low	49.2	Very low	225 Å²	225	107.5 Å²	107.5	85%	0.849	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-64.6	136	166.2	-78	-179.4	167	-174.3	-5.4	107.9	M987	M987-R989 PolarHBondContact O-N 3.34Å
990	Q	39.5	Very low	52	Low	136 Å²	136	102.4 Å²	102.4	64%	0.636	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-55.8	137.9	157	-74.4	176.7	-53	0	0	108.2	S992	Q990-S992 PolarHBondContact O-N 3.4Å
991	P	41.4	Very low	55	Low	119 Å²	119	95.6 Å²	95.6	77%	0.773	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.3	129.6	173.9	26.7	-33.4	0	0	0	108.8	I993	P991-I993 PolarHBondContact O-N 3.25Å
992	S	49.8	Very low	58.1	Low	66 Å²	66	88 Å²	88	46%	0.462	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-65.9	123	179.4	24.4	0	0	0	0	110.5	D957 Q990 T994	D957-S992 VanDerWaalsContact CG-CB 3.45Å; D957-S992 VanDerWaalsContact CG-OG 3.3Å; D957-S992 WeakPolarHBondContact OD1-CB 3.35Å; D957-S992 VanDerWaalsContact OD2-CB 3.25Å; D957-S992 WeakPolarHBondContact OD2-CB 3.49Å; D957-S992 PolarHBondContact OD2-OG 3.01Å; Q990-S992 PolarHBondContact O-N 3.4Å; S992-T994 PolarHBondContact O-N 3.2Å
993	I	62.2	Low	61.4	Low	38 Å²	38	83.1 Å²	83.1	20%	0.195	46%	0.463	C	S	.	.			trans	-76.6	91.9	175.1	-63.6	-179.1	0	0	0	108.5	N918 P991 T995 N998 I999	N918-I993 HydrophobicContact CB-CB 4.31Å; N918-I993 HydrophobicContact CB-CG2 4.39Å; P991-I993 PolarHBondContact O-N 3.25Å; I993-T995 WeakPolarHBondContact CG2-O 3.37Å; I993-N998 HydrophobicContact CG1-CB 4.5Å; I993-N998 HydrophobicContact CG2-CB 4.12Å; I993-I999 HydrophobicContact CG2-CG1 4Å
994	T	69.7	Low	64.3	Low	67 Å²	67	76.8 Å²	76.8	41%	0.411	42%	0.421	S	S	.	.			trans	-76.4	-27	175.9	53.5	0	0	0	0	112.6	Q954 F955 D957 S992	Q954-T994 CarbonylContact C-O 3.44Å; Q954-T994 WeakPolarHBondContact CA-O 3.39Å; F955-T994 PolarHBondContact N-O 3.37Å; D957-T994 WeakPolarHBondContact OD1-CG2 3.25Å; S992-T994 PolarHBondContact O-N 3.2Å
995	T	80.9	Confident	67.3	Low	57 Å²	57	70.9 Å²	70.9	35%	0.35	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-121.9	132.6	-178.2	57	0	0	0	0	111.7	I993 V997 N998	I993-T995 WeakPolarHBondContact CG2-O 3.37Å; T995-V997 PolarHBondContact O-N 3.17Å; T995-V997 VanDerWaalsContact O-N 3.12Å; T995-N998 PolarHBondContact O-N 3.22Å
996	G	82.3	Confident	69.8	Low	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-64	-17.9	-174.1	0	0	0	0	0	115.3	I950 K951 M953 N998 I999	I950-G996 WeakPolarHBondContact O-CA 3.28Å; K951-G996 CarbonylContact O-C 3.58Å; M953-G996 PolarHBondContact O-N 3.45Å; G996-N998 PolarHBondContact O-N 3.36Å; G996-I999 WeakPolarHBondContact O-CB 3.38Å; G996-I999 WeakPolarHBondContact O-CG1 3.26Å; G996-I999 PolarHBondContact O-N 3.33Å; G996-I999 VanDerWaalsContact O-N 3.09Å
997	V	87.4	Confident	72.6	Confident	78 Å²	78	59.4 Å²	59.4	47%	0.473	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.5	-24.9	177.7	71.2	0	0	0	0	113.5	K951 T995	K951-V997 PolarHBondContact O-N 3.28Å; K951-V997 VanDerWaalsContact O-N 3.14Å; T995-V997 PolarHBondContact O-N 3.17Å; T995-V997 VanDerWaalsContact O-N 3.12Å
998	N	88.6	Confident	75.5	Confident	57 Å²	57	53.2 Å²	53.2	31%	0.305	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-88.7	1	178.2	-69.3	-24.8	0	0	0	113.4	I993 T995 G996 T1152	I993-N998 HydrophobicContact CG1-CB 4.5Å; I993-N998 HydrophobicContact CG2-CB 4.12Å; T995-N998 PolarHBondContact O-N 3.22Å; G996-N998 PolarHBondContact O-N 3.36Å; N998-T1152 VanDerWaalsContact OD1-CG2 3.22Å; N998-T1152 WeakPolarHBondContact OD1-CG2 3.41Å; N998-T1152 PolarHBondContact OD1-OG1 2.97Å
999	I	93.5	Very high	78.3	Confident	8 Å²	8	50 Å²	50	4%	0.041	27%	0.269	C	S	.	.	S	Bend	trans	-73.5	127.9	176.6	-64	174.5	0	0	0	108.6	I917 N918 I950 F955 I993 G996 I1001	I917-I999 HydrophobicContact CG1-CD1 4.44Å; I917-I999 HydrophobicContact CG1-CG2 4.24Å; I917-I999 HydrophobicContact CG2-CD1 4.16Å; N918-I999 HydrophobicContact CB-CD1 4.49Å; I950-I999 HydrophobicContact CG2-CB 4.22Å; I950-I999 HydrophobicContact CG2-CD1 3.77Å; I950-I999 HydrophobicContact CG2-CG2 4.1Å; F955-I999 HydrophobicContact CE2-CD1 3.88Å; F955-I999 HydrophobicContact CZ-CD1 4.03Å; I993-I999 HydrophobicContact CG2-CG1 4Å; G996-I999 WeakPolarHBondContact O-CB 3.38Å; G996-I999 WeakPolarHBondContact O-CG1 3.26Å; G996-I999 PolarHBondContact O-N 3.33Å; G996-I999 VanDerWaalsContact O-N 3.09Å; I999-I1001 HydrophobicContact CG2-CG1 4.16Å; I999-I1001 PolarHBondContact O-N 2.93Å
1000	P	94.8	Very high	81.1	Confident	21 Å²	21	39.7 Å²	39.7	14%	0.136	23%	0.23	C	C	.	.			trans	-68.8	115	174.3	27.9	-33.3	0	0	0	109.6	D921 M922 C923	D921-P1000 VanDerWaalsContact O-CG 3.23Å; D921-P1000 WeakPolarHBondContact O-CG 3.22Å; M922-P1000 HydrophobicContact CE-CB 3.87Å; M922-P1000 HydrophobicContact SD-CB 4.06Å; C923-P1000 PolarHBondContact N-O 3.07Å
1001	I	96	Very high	83.6	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.2	178.1	-55.6	165.6	0	0	0	108.2	C923 I925 I950 K951 I999 T1036	C923-I1001 HydrophobicContact CB-CG1 4.26Å; C923-I1001 CarbonylContact O-C 3.29Å; C923-I1001 WeakPolarHBondContact O-CA 3.45Å; I925-I1001 HydrophobicContact CD1-CG2 3.6Å; I925-I1001 HydrophobicContact CG1-CG2 4.12Å; I950-I1001 HydrophobicContact CB-CD1 3.87Å; I950-I1001 HydrophobicContact CD1-CD1 4.38Å; I950-I1001 HydrophobicContact CG2-CD1 3.69Å; I950-I1001 HydrophobicContact CG2-CG1 4.27Å; K951-I1001 HydrophobicContact CG-CD1 3.99Å; I999-I1001 HydrophobicContact CG2-CG1 4.16Å; I999-I1001 PolarHBondContact O-N 2.93Å; I1001-T1036 WeakPolarHBondContact O-CA 3.35Å; I1001-T1036 WeakPolarHBondContact O-CB 3.38Å
1002	I	97.4	Very high	85.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.9	163.9	-171.7	169.2	0	0	0	109.6	I559 M922 C923 V924 I925 T1036	I559-I1002 HydrophobicContact CG1-CD1 4.16Å; I559-I1002 HydrophobicContact CG2-CG2 3.99Å; M922-I1002 HydrophobicContact CG-CG2 3.8Å; M922-I1002 HydrophobicContact SD-CB 4.05Å; M922-I1002 HydrophobicContact SD-CG2 3.76Å; C923-I1002 PolarHBondContact O-N 3.3Å; V924-I1002 WeakPolarHBondContact CA-O 3.16Å; V924-I1002 HydrophobicContact CB-CG2 4.37Å; V924-I1002 HydrophobicContact CG1-CG2 4.45Å; V924-I1002 HydrophobicContact CG2-CG2 3.9Å; I925-I1002 PolarHBondContact N-O 3.36Å; I1002-T1036 WeakPolarHBondContact CA-O 3.47Å
1003	T	96.4	Very high	87.8	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.8	-173.6	-59.8	0	0	0	0	110.1	I925 C943 S947 L1005 L1014 T1036 F1038	I925-T1003 HydrophobicContact CB-CG2 4.3Å; I925-T1003 HydrophobicContact CG2-CG2 4.43Å; C943-T1003 HydrophobicContact CB-CG2 3.65Å; S947-T1003 PolarHBondContact OG-OG1 3Å; T1003-L1005 HydrophobicContact CG2-CD2 4.37Å; T1003-L1014 HydrophobicContact CG2-CD2 4.23Å; T1003-T1036 PolarHBondContact N-O 3.08Å; T1003-F1038 PolarHBondContact O-N 2.83Å
1004	E	94.4	Very high	89.2	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.9	168.8	-172.8	-176.2	155	0	0	110.3	K555 I925 L926 Q930 F1038	K555-E1004 VanDerWaalsContact CD-CD 3.5Å; K555-E1004 HydrophobicContact CD-CG 4.22Å; K555-E1004 WeakPolarHBondContact CD-OE1 3.37Å; K555-E1004 WeakPolarHBondContact CE-OE2 3.39Å; K555-E1004 IonicContact NZ-OE1 3.84Å; K555-E1004 PolarHBondContact NZ-OE1 3.12Å; K555-E1004 IonicContact NZ-OE2 2.91Å; K555-E1004 PolarHBondContact NZ-OE2 2.74Å; I925-E1004 PolarHBondContact O-N 3.38Å; L926-E1004 HydrophobicContact CD2-CB 4.07Å; Q930-E1004 PolarHBondContact NE2-OE1 2.91Å; E1004-F1038 WeakPolarHBondContact CA-O 3.11Å
1005	L	91.3	Very high	90.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.9	171.8	-61.9	175.7	0	0	0	111.2	D940 T1003 V1011 L1014 A1037 F1038 A1039 V1040	D940-L1005 HydrophobicContact CB-CD2 4.01Å; D940-L1005 WeakPolarHBondContact OD1-CA 3.18Å; T1003-L1005 HydrophobicContact CG2-CD2 4.37Å; L1005-V1011 HydrophobicContact CD1-CB 3.79Å; L1005-V1011 HydrophobicContact CD1-CG2 4.02Å; L1005-L1014 HydrophobicContact CD1-CD1 4.01Å; L1005-L1014 HydrophobicContact CD2-CD1 4.49Å; L1005-A1037 HydrophobicContact CD1-CB 4.16Å; L1005-F1038 PolarHBondContact N-O 3.41Å; L1005-A1039 HydrophobicContact CB-CB 4.37Å; L1005-A1039 WeakPolarHBondContact O-CA 3.44Å; L1005-V1040 PolarHBondContact O-N 3.02Å
1006	V	85.6	Confident	90.1	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.036	17%	0.168	C	C	.	.	S	Bend	trans	-90.2	-42.2	172.2	-171.1	0	0	0	0	110.2	Y494 Q930 Q939 D940	Y494-V1006 HydrophobicContact CD1-CG1 3.55Å; Y494-V1006 HydrophobicContact CE1-CG1 3.56Å; Q930-V1006 HydrophobicContact CB-CG2 4Å; Q930-V1006 HydrophobicContact CG-CG2 3.71Å; Q939-V1006 HydrophobicContact CB-CB 4.5Å; D940-V1006 PolarHBondContact OD1-N 2.96Å; D940-V1006 PolarHBondContact OD2-N 3.08Å
1007	N	85.6	Confident	90.1	Very high	35 Å²	35	36 Å²	36	19%	0.187	19%	0.188	C	C	.	.	S	Bend	trans	-109.3	125.7	-177.7	-173.3	-13.5	0	0	0	111.7	T936 D940 T1009 N1010	T936-N1007 PolarHBondContact O-ND2 3.49Å; D940-N1007 PolarHBondContact OD2-N 3.22Å; N1007-T1009 VanDerWaalsContact C-N 3.29Å; N1007-T1009 PolarHBondContact O-N 3.17Å; N1007-T1009 PolarHBondContact OD1-N 2.58Å; N1007-T1009 PolarHBondContact OD1-OG1 3.13Å; N1007-T1009 VanDerWaalsContact OD1-OG1 3.11Å; N1007-N1010 WeakPolarHBondContact O-CB 3.39Å; N1007-N1010 PolarHBondContact O-N 3.43Å
1008	D	87.5	Confident	89.7	Confident	50 Å²	50	34 Å²	34	27%	0.267	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-59.3	-36.5	-177.4	-69.7	-9.7	0	0	0	113	N1010 V1011 L1026 A1039 S1041	D1008-N1010 PolarHBondContact O-N 2.96Å; D1008-V1011 WeakPolarHBondContact O-CB 3.23Å; D1008-V1011 WeakPolarHBondContact O-CG1 3.44Å; D1008-V1011 PolarHBondContact O-N 2.83Å; D1008-L1026 HydrophobicContact CB-CB 4.36Å; D1008-A1039 VanDerWaalsContact OD1-CB 3.26Å; D1008-A1039 WeakPolarHBondContact OD1-CB 3.39Å; D1008-S1041 VanDerWaalsContact CG-OG 3.25Å; D1008-S1041 VanDerWaalsContact OD1-CB 3.23Å; D1008-S1041 WeakPolarHBondContact OD1-CB 3.36Å; D1008-S1041 PolarHBondContact OD1-OG 3.17Å; D1008-S1041 WeakPolarHBondContact OD2-CB 3.41Å; D1008-S1041 PolarHBondContact OD2-OG 3.4Å
1009	T	87.3	Confident	89	Confident	77 Å²	77	38.8 Å²	38.8	47%	0.472	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-72.8	-12.3	-176.6	63.9	0	0	0	0	113.5	N1007 V1011 Q1012	N1007-T1009 VanDerWaalsContact C-N 3.29Å; N1007-T1009 PolarHBondContact O-N 3.17Å; N1007-T1009 PolarHBondContact OD1-N 2.58Å; N1007-T1009 PolarHBondContact OD1-OG1 3.13Å; N1007-T1009 VanDerWaalsContact OD1-OG1 3.11Å; T1009-V1011 VanDerWaalsContact C-N 3.28Å; T1009-V1011 PolarHBondContact O-N 2.88Å; T1009-Q1012 PolarHBondContact O-NE2 2.88Å
1010	N	90.6	Very high	88	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.037	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-79.4	-8.3	176	-80.7	-24.3	0	0	0	113.3	S937 D940 I944 N1007 D1008 Q1012 F1013	S937-N1010 PolarHBondContact O-ND2 3.44Å; S937-N1010 PolarHBondContact O-OD1 3.31Å; D940-N1010 HydrophobicContact CB-CB 4.26Å; D940-N1010 PolarHBondContact OD2-ND2 2.99Å; I944-N1010 HydrophobicContact CD1-CB 4.14Å; N1007-N1010 WeakPolarHBondContact O-CB 3.39Å; N1007-N1010 PolarHBondContact O-N 3.43Å; D1008-N1010 PolarHBondContact O-N 2.96Å; N1010-Q1012 VanDerWaalsContact C-N 3.31Å; N1010-Q1012 PolarHBondContact O-N 3.4Å; N1010-F1013 HydrophobicContact CB-CD2 4.35Å; N1010-F1013 WeakPolarHBondContact O-CD2 3.32Å; N1010-F1013 PolarHBondContact O-N 3.22Å; N1010-F1013 WeakPolarHBondContact OD1-CE2 3.39Å
1011	V	91.9	Very high	87.2	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.03	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.9	-36.8	-175.8	71.1	0	0	0	0	113.5	L1005 D1008 T1009 F1013 L1014 L1026 T1029 P1031 A1037	L1005-V1011 HydrophobicContact CD1-CB 3.79Å; L1005-V1011 HydrophobicContact CD1-CG2 4.02Å; D1008-V1011 WeakPolarHBondContact O-CB 3.23Å; D1008-V1011 WeakPolarHBondContact O-CG1 3.44Å; D1008-V1011 PolarHBondContact O-N 2.83Å; T1009-V1011 VanDerWaalsContact C-N 3.28Å; T1009-V1011 PolarHBondContact O-N 2.88Å; V1011-F1013 VanDerWaalsContact C-N 3.25Å; V1011-F1013 PolarHBondContact O-N 3.12Å; V1011-L1014 WeakPolarHBondContact O-CB 3.48Å; V1011-L1014 PolarHBondContact O-N 3.46Å; V1011-L1026 HydrophobicContact CB-CD1 3.88Å; V1011-L1026 HydrophobicContact CG1-CD1 3.92Å; V1011-L1026 HydrophobicContact CG2-CD1 3.89Å; V1011-T1029 HydrophobicContact CG1-CG2 3.73Å; V1011-P1031 HydrophobicContact CG2-CB 3.93Å; V1011-P1031 HydrophobicContact CG2-CG 4.22Å; V1011-A1037 HydrophobicContact CG2-CB 3.75Å
1012	Q	89.1	Confident	86.3	Confident	40 Å²	40	50.6 Å²	50.6	19%	0.187	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.1	-39.9	179.8	62.4	-165.4	-30.8	0	0	112.2	T1009 N1010 L1014 D1015	T1009-Q1012 PolarHBondContact O-NE2 2.88Å; N1010-Q1012 VanDerWaalsContact C-N 3.31Å; N1010-Q1012 PolarHBondContact O-N 3.4Å; Q1012-L1014 PolarHBondContact O-N 3.11Å; Q1012-D1015 PolarHBondContact O-N 3.05Å
1013	F	91.6	Very high	85.5	Confident	104 Å²	104	57.8 Å²	57.8	46%	0.456	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-68.4	-1.7	-176.2	-52.9	-53.3	0	0	0	115.3	I944 N1010 V1011	I944-F1013 HydrophobicContact CD1-CB 4.31Å; I944-F1013 HydrophobicContact CD1-CD2 4.18Å; I944-F1013 HydrophobicContact CG2-CB 3.89Å; N1010-F1013 HydrophobicContact CB-CD2 4.35Å; N1010-F1013 WeakPolarHBondContact O-CD2 3.32Å; N1010-F1013 PolarHBondContact O-N 3.22Å; N1010-F1013 WeakPolarHBondContact OD1-CE2 3.39Å; V1011-F1013 VanDerWaalsContact C-N 3.25Å; V1011-F1013 PolarHBondContact O-N 3.12Å
1014	L	92.1	Very high	84.9	Confident	3 Å²	3	60 Å²	60	2%	0.016	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-84	-29.2	179.2	-65.6	177.8	0	0	0	113.6	I944 K951 T1003 L1005 V1011 Q1012 P1031 A1037	I944-L1014 HydrophobicContact CG1-CD2 4.28Å; K951-L1014 PolarHBondContact NZ-O 3Å; T1003-L1014 HydrophobicContact CG2-CD2 4.23Å; L1005-L1014 HydrophobicContact CD1-CD1 4.01Å; L1005-L1014 HydrophobicContact CD2-CD1 4.49Å; V1011-L1014 WeakPolarHBondContact O-CB 3.48Å; V1011-L1014 PolarHBondContact O-N 3.46Å; Q1012-L1014 PolarHBondContact O-N 3.11Å; L1014-P1031 HydrophobicContact CB-CB 4.2Å; L1014-P1031 HydrophobicContact CB-CG 4.27Å; L1014-P1031 HydrophobicContact CD1-CB 4.29Å; L1014-A1037 HydrophobicContact CD1-CB 3.72Å
1015	D	87.6	Confident	84.5	Confident	10 Å²	10	64 Å²	64	5%	0.053	34%	0.338	C	S	.	.			trans	-120.6	160.9	177.5	-85.5	-19.7	0	0	0	110.4	K951 Q1012 Q1030 P1031 K1153	K951-D1015 IonicContact NZ-OD1 3.76Å; K951-D1015 PolarHBondContact NZ-OD1 3.46Å; Q1012-D1015 PolarHBondContact O-N 3.05Å; D1015-Q1030 PolarHBondContact OD2-NE2 3.28Å; D1015-P1031 HydrophobicContact CB-CG 4.14Å; D1015-K1153 IonicContact OD1-NZ 2.78Å; D1015-K1153 PolarHBondContact OD1-NZ 2.88Å; D1015-K1153 WeakPolarHBondContact OD2-CE 3.49Å; D1015-K1153 IonicContact OD2-NZ 2.65Å; D1015-K1153 PolarHBondContact OD2-NZ 3.32Å
1016	Q	80.7	Confident	84.4	Confident	167 Å²	167	65 Å²	65	78%	0.78	34%	0.343	S	S	*	.	S	Bend	trans	-124.8	15.7	-175.7	-62.5	-178.6	-15.2	0	0	111.8
1017	D	82.5	Confident	84.6	Confident	76 Å²	76	65.5 Å²	65.5	41%	0.406	35%	0.345	S	S	.	.	S	Bend	trans	-148.1	33.7	-169.6	64.7	-63.1	0	0	0	109.9	Q1030 R1141 K1153	D1017-Q1030 PolarHBondContact O-NE2 3.16Å; D1017-R1141 PolarHBondContact O-NH1 3.2Å; D1017-R1141 IonicContact OD2-CZ 3.9Å; D1017-R1141 IonicContact OD2-NH1 3.67Å; D1017-R1141 PolarHBondContact OD2-NH1 3.45Å; D1017-R1141 IonicContact OD2-NH2 2.66Å; D1017-K1153 IonicContact OD1-NZ 3.64Å; D1017-K1153 PolarHBondContact OD1-NZ 2.96Å; D1017-K1153 IonicContact OD2-NZ 2.74Å; D1017-K1153 PolarHBondContact OD2-NZ 3.02Å
1018	D	78.4	Confident	84.9	Confident	37 Å²	37	65.6 Å²	65.6	20%	0.198	35%	0.345	C	S	.	.	S	Bend	trans	-110.6	160.5	163.2	-155.4	10.4	0	0	0	107.8	D1020 Q1030	D1018-D1020 PolarHBondContact O-N 3Å; D1018-Q1030 HydrophobicContact CB-CB 4.12Å; D1018-Q1030 WeakPolarHBondContact OD2-CB 3.29Å; D1018-Q1030 PolarHBondContact OD2-N 3.33Å
1019	D	74.8	Confident	85.1	Confident	157 Å²	157	63.9 Å²	63.9	84%	0.84	34%	0.336	S	S	*	.			trans	-89.2	92.7	175.1	-76.5	-55.4	0	0	0	109.2	D1021	D1019-D1021 PolarHBondContact O-N 3.13Å
1020	D	71.8	Confident	85.3	Confident	101 Å²	101	60.3 Å²	60.3	54%	0.54	31%	0.314	S	S	.	.			trans	-63	93.3	-173	-67.5	-32.4	0	0	0	113.8	D1018	D1018-D1020 PolarHBondContact O-N 3Å
1021	D	78.9	Confident	85.5	Confident	90 Å²	90	60 Å²	60	48%	0.481	31%	0.313	S	S	.	.			trans	-110.7	113.3	164.8	-178.1	-8.7	0	0	0	110.6	D1019 D1023 T1024	D1019-D1021 PolarHBondContact O-N 3.13Å; D1021-D1023 VanDerWaalsContact C-N 3.26Å; D1021-D1023 PolarHBondContact O-N 3.43Å; D1021-D1023 PolarHBondContact OD1-N 2.81Å; D1021-T1024 WeakPolarHBondContact O-CB 3.32Å; D1021-T1024 PolarHBondContact O-N 3.37Å; D1021-T1024 VanDerWaalsContact O-N 3.1Å; D1021-T1024 PolarHBondContact O-OG1 3.34Å
1022	P	75.9	Confident	85.7	Confident	91 Å²	91	59.8 Å²	59.8	59%	0.591	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.9	-176.2	31	-37.4	0	0	0	114.9
1023	D	81.1	Confident	85.9	Confident	152 Å²	152	57.9 Å²	57.9	81%	0.813	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.5	172.1	-77.9	-18.6	0	0	0	112.1	D1021 E1025	D1021-D1023 VanDerWaalsContact C-N 3.26Å; D1021-D1023 PolarHBondContact O-N 3.43Å; D1021-D1023 PolarHBondContact OD1-N 2.81Å; D1023-E1025 PolarHBondContact O-N 3.21Å
1024	T	84.8	Confident	86.1	Confident	50 Å²	50	53.1 Å²	53.1	31%	0.307	28%	0.282	S	S	.	.	S	Bend	trans	-69.4	118.9	178.1	-58.4	0	0	0	0	111.9	D1021 L1026 L1028 T1029	D1021-T1024 WeakPolarHBondContact O-CB 3.32Å; D1021-T1024 PolarHBondContact O-N 3.37Å; D1021-T1024 VanDerWaalsContact O-N 3.1Å; D1021-T1024 PolarHBondContact O-OG1 3.34Å; T1024-L1026 PolarHBondContact O-N 3.07Å; T1024-L1028 HydrophobicContact CG2-CB 3.54Å; T1024-L1028 HydrophobicContact CG2-CD1 4.35Å; T1024-T1029 HydrophobicContact CG2-CG2 3.82Å
1025	E	85.8	Confident	86.2	Confident	87 Å²	87	53 Å²	53	41%	0.407	28%	0.282	S	S	.	.			trans	-62.5	134.5	173.2	-63.3	-164.5	131.8	0	0	111.2	K426 D1023 Y1027 L1028	K426-E1025 IonicContact NZ-OE1 3.29Å; K426-E1025 PolarHBondContact NZ-OE1 3.19Å; D1023-E1025 PolarHBondContact O-N 3.21Å; E1025-Y1027 HydrophobicContact CB-CD1 4Å; E1025-Y1027 HydrophobicContact CB-CE1 3.75Å; E1025-Y1027 PolarHBondContact O-N 2.8Å; E1025-Y1027 WeakPolarHBondContact OE2-CE1 3.29Å; E1025-L1028 PolarHBondContact O-N 3.06Å
1026	L	89	Confident	86.6	Confident	19 Å²	19	53.7 Å²	53.7	10%	0.099	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-34.3	-44.8	-171.9	173.4	65.4	0	0	0	115.2	D1008 V1011 T1024 L1028 T1029 F1032 A1039 V1042	D1008-L1026 HydrophobicContact CB-CB 4.36Å; V1011-L1026 HydrophobicContact CB-CD1 3.88Å; V1011-L1026 HydrophobicContact CG1-CD1 3.92Å; V1011-L1026 HydrophobicContact CG2-CD1 3.89Å; T1024-L1026 PolarHBondContact O-N 3.07Å; L1026-L1028 VanDerWaalsContact C-N 3.28Å; L1026-L1028 PolarHBondContact O-N 2.8Å; L1026-T1029 WeakPolarHBondContact O-CB 3.38Å; L1026-T1029 PolarHBondContact O-N 3.33Å; L1026-T1029 PolarHBondContact O-OG1 2.61Å; L1026-F1032 HydrophobicContact CD1-CB 4.29Å; L1026-F1032 HydrophobicContact CD1-CD2 4.2Å; L1026-F1032 HydrophobicContact CD1-CG 4.47Å; L1026-F1032 HydrophobicContact CD2-CD2 4.15Å; L1026-F1032 HydrophobicContact CD2-CE2 4.25Å; L1026-F1032 HydrophobicContact CG-CD2 3.97Å; L1026-F1032 HydrophobicContact CG-CE2 4.45Å; L1026-F1032 HydrophobicContact CG-CG 4.26Å; L1026-F1032 WeakPolarHBondContact O-CB 3.49Å; L1026-A1039 HydrophobicContact CD2-CB 3.65Å; L1026-V1042 HydrophobicContact CD2-CG1 3.84Å
1027	Y	90.1	Very high	87.2	Confident	18 Å²	18	45.8 Å²	45.8	7%	0.071	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70	-19.7	-173.4	74.6	-85.7	0	0	0	115.1	R579 Y593 L594 V597 E1025	R579-Y1027 VanDerWaalsContact NH1-CG 3.3Å; Y593-Y1027 HydrophobicContact CE1-CD2 4.43Å; Y593-Y1027 WeakPolarHBondContact CE1-O 3.47Å; Y593-Y1027 VanDerWaalsContact CZ-O 3.24Å; Y593-Y1027 PolarHBondContact OH-O 2.71Å; L594-Y1027 HydrophobicContact CD2-CE2 4.26Å; V597-Y1027 HydrophobicContact CG1-CD2 4.1Å; V597-Y1027 HydrophobicContact CG1-CE2 4.03Å; V597-Y1027 HydrophobicContact CG2-CD2 4.39Å; E1025-Y1027 HydrophobicContact CB-CD1 4Å; E1025-Y1027 HydrophobicContact CB-CE1 3.75Å; E1025-Y1027 PolarHBondContact O-N 2.8Å; E1025-Y1027 WeakPolarHBondContact OE2-CE1 3.29Å
1028	L	90.8	Very high	87.8	Confident	37 Å²	37	42.1 Å²	42.1	19%	0.194	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-82.3	-18.7	176.8	-68.4	170.5	0	0	0	112.4	W589 L594 T1024 E1025 L1026	W589-L1028 WeakPolarHBondContact CH2-O 3.34Å; L594-L1028 HydrophobicContact CD1-CD2 4.37Å; L594-L1028 HydrophobicContact CD2-CD2 3.86Å; L594-L1028 HydrophobicContact CG-CD2 4.41Å; T1024-L1028 HydrophobicContact CG2-CB 3.54Å; T1024-L1028 HydrophobicContact CG2-CD1 4.35Å; E1025-L1028 PolarHBondContact O-N 3.06Å; L1026-L1028 VanDerWaalsContact C-N 3.28Å; L1026-L1028 PolarHBondContact O-N 2.8Å
1029	T	92.3	Very high	88.4	Confident	14 Å²	14	40.4 Å²	40.4	9%	0.086	22%	0.22	C	C	.	.	S	Bend	trans	-69.6	144.3	-177.3	70.6	0	0	0	0	112	V1011 T1024 L1026 F1032 A1033	V1011-T1029 HydrophobicContact CG1-CG2 3.73Å; T1024-T1029 HydrophobicContact CG2-CG2 3.82Å; L1026-T1029 WeakPolarHBondContact O-CB 3.38Å; L1026-T1029 PolarHBondContact O-N 3.33Å; L1026-T1029 PolarHBondContact O-OG1 2.61Å; T1029-F1032 PolarHBondContact O-N 3.32Å; T1029-A1033 WeakPolarHBondContact O-CB 3.3Å; T1029-A1033 PolarHBondContact O-N 3.42Å
1030	Q	92.4	Very high	89	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-43.2	-178.5	178.8	177	-108.6	0	0	113.8	W589 D1015 D1017 D1018 F1032 A1033 C1034 K1153	W589-Q1030 HydrophobicContact CH2-CB 4.39Å; W589-Q1030 HydrophobicContact CZ2-CB 4.05Å; D1015-Q1030 PolarHBondContact OD2-NE2 3.28Å; D1017-Q1030 PolarHBondContact O-NE2 3.16Å; D1018-Q1030 HydrophobicContact CB-CB 4.12Å; D1018-Q1030 WeakPolarHBondContact OD2-CB 3.29Å; D1018-Q1030 PolarHBondContact OD2-N 3.33Å; Q1030-F1032 VanDerWaalsContact C-N 3.28Å; Q1030-F1032 PolarHBondContact O-N 2.69Å; Q1030-A1033 PolarHBondContact O-N 3Å; Q1030-C1034 VanDerWaalsContact O-CB 3.28Å; Q1030-C1034 WeakPolarHBondContact O-CB 3.41Å; Q1030-C1034 PolarHBondContact O-N 2.73Å; Q1030-C1034 PolarHBondContact O-SG 3.35Å; Q1030-K1153 VanDerWaalsContact NE2-NZ 3.1Å
1031	P	94.4	Very high	89.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-31.7	-176.4	-22.5	35.4	0	0	0	112.8	V1011 L1014 D1015 G1035 T1036 A1037	V1011-P1031 HydrophobicContact CG2-CB 3.93Å; V1011-P1031 HydrophobicContact CG2-CG 4.22Å; L1014-P1031 HydrophobicContact CB-CB 4.2Å; L1014-P1031 HydrophobicContact CB-CG 4.27Å; L1014-P1031 HydrophobicContact CD1-CB 4.29Å; D1015-P1031 HydrophobicContact CB-CG 4.14Å; P1031-G1035 PolarHBondContact O-N 3.17Å; P1031-T1036 WeakPolarHBondContact CA-OG1 3.35Å; P1031-T1036 PolarHBondContact O-N 3.36Å; P1031-T1036 PolarHBondContact O-OG1 3.31Å; P1031-A1037 HydrophobicContact CB-CB 4.12Å; P1031-A1037 PolarHBondContact O-N 3.36Å
1032	F	95.1	Very high	90.1	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-75.7	-49.2	172.6	-175.2	-89.1	0	0	0	111.4	T570 A573 L1026 T1029 Q1030 C1034 G1035 V1042	T570-F1032 WeakPolarHBondContact CB-O 3.26Å; T570-F1032 HydrophobicContact CG2-CD1 3.88Å; T570-F1032 HydrophobicContact CG2-CE1 3.73Å; T570-F1032 HydrophobicContact CG2-CZ 4.43Å; T570-F1032 WeakPolarHBondContact CG2-O 3.37Å; T570-F1032 PolarHBondContact OG1-O 3.01Å; A573-F1032 HydrophobicContact CB-CZ 4.06Å; L1026-F1032 HydrophobicContact CD1-CB 4.29Å; L1026-F1032 HydrophobicContact CD1-CD2 4.2Å; L1026-F1032 HydrophobicContact CD1-CG 4.47Å; L1026-F1032 HydrophobicContact CD2-CD2 4.15Å; L1026-F1032 HydrophobicContact CD2-CE2 4.25Å; L1026-F1032 HydrophobicContact CG-CD2 3.97Å; L1026-F1032 HydrophobicContact CG-CE2 4.45Å; L1026-F1032 HydrophobicContact CG-CG 4.26Å; L1026-F1032 WeakPolarHBondContact O-CB 3.49Å; T1029-F1032 PolarHBondContact O-N 3.32Å; Q1030-F1032 VanDerWaalsContact C-N 3.28Å; Q1030-F1032 PolarHBondContact O-N 2.69Å; F1032-C1034 PolarHBondContact O-N 3.34Å; F1032-G1035 PolarHBondContact O-N 2.94Å; F1032-V1042 HydrophobicContact CE2-CG1 3.94Å; F1032-V1042 HydrophobicContact CZ-CG1 4.15Å
1033	A	94.3	Very high	90.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-28.7	178.8	0	0	0	0	0	113.3	W589 Y593 T1029 Q1030 Y1155 V1156	W589-A1033 HydrophobicContact CH2-CB 3.82Å; W589-A1033 HydrophobicContact CZ3-CB 3.47Å; W589-A1033 VanDerWaalsContact CZ3-CB 3.47Å; Y593-A1033 HydrophobicContact CD1-CB 4.43Å; Y593-A1033 HydrophobicContact CD2-CB 3.92Å; Y593-A1033 HydrophobicContact CE1-CB 4.13Å; Y593-A1033 HydrophobicContact CE2-CB 3.63Å; Y593-A1033 HydrophobicContact CG-CB 4.33Å; T1029-A1033 WeakPolarHBondContact O-CB 3.3Å; T1029-A1033 PolarHBondContact O-N 3.42Å; Q1030-A1033 PolarHBondContact O-N 3Å; A1033-Y1155 WeakPolarHBondContact O-CA 3.38Å; A1033-V1156 PolarHBondContact O-N 3.27Å
1034	C	94.8	Very high	91	Very high	4 Å²	4	14.1 Å²	14.1	3%	0.027	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.7	174.2	-63.2	0	0	0	0	114.8	Q1030 F1032 T1036 Y1138 R1154	Q1030-C1034 VanDerWaalsContact O-CB 3.28Å; Q1030-C1034 WeakPolarHBondContact O-CB 3.41Å; Q1030-C1034 PolarHBondContact O-N 2.73Å; Q1030-C1034 PolarHBondContact O-SG 3.35Å; F1032-C1034 PolarHBondContact O-N 3.34Å; C1034-T1036 HydrophobicContact CB-CG2 4.47Å; C1034-Y1138 PolarHBondContact O-OH 2.74Å; C1034-R1154 WeakPolarHBondContact CA-O 3.32Å; C1034-R1154 VanDerWaalsContact CB-O 3.26Å; C1034-R1154 WeakPolarHBondContact CB-O 3.27Å; C1034-R1154 PolarHBondContact SG-O 2.94Å
1035	G	95.1	Very high	91.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	26.6	-178.3	0	0	0	0	0	115.2	T570 P1031 F1032	T570-G1035 VanDerWaalsContact OG1-CA 3.28Å; T570-G1035 WeakPolarHBondContact OG1-CA 3.39Å; P1031-G1035 PolarHBondContact O-N 3.17Å; F1032-G1035 PolarHBondContact O-N 2.94Å
1036	T	94.8	Very high	91.4	Very high	24 Å²	24	8 Å²	8	15%	0.147	5%	0.045	C	C	.	.	S	Bend	trans	-98.4	-14.2	174.9	61.2	0	0	0	0	113.4	I1001 I1002 T1003 P1031 C1034	I1001-T1036 WeakPolarHBondContact O-CA 3.35Å; I1001-T1036 WeakPolarHBondContact O-CB 3.38Å; I1002-T1036 WeakPolarHBondContact CA-O 3.47Å; T1003-T1036 PolarHBondContact N-O 3.08Å; P1031-T1036 WeakPolarHBondContact CA-OG1 3.35Å; P1031-T1036 PolarHBondContact O-N 3.36Å; P1031-T1036 PolarHBondContact O-OG1 3.31Å; C1034-T1036 HydrophobicContact CB-CG2 4.47Å
1037	A	95.2	Very high	91.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.5	172.6	0	0	0	0	0	110.7	L1005 V1011 L1014 P1031	L1005-A1037 HydrophobicContact CD1-CB 4.16Å; V1011-A1037 HydrophobicContact CG2-CB 3.75Å; L1014-A1037 HydrophobicContact CD1-CB 3.72Å; P1031-A1037 HydrophobicContact CB-CB 4.12Å; P1031-A1037 PolarHBondContact O-N 3.36Å
1038	F	95.2	Very high	91.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	112.1	167.3	-172	-94.1	0	0	0	110.3	K555 F558 I559 T1003 E1004 L1005 V1042 L1043	K555-F1038 HydrophobicContact CB-CE1 4.27Å; K555-F1038 HydrophobicContact CG-CD1 4.17Å; K555-F1038 HydrophobicContact CG-CE1 3.94Å; F558-F1038 HydrophobicContact CB-CE2 4Å; F558-F1038 HydrophobicContact CB-CZ 4.05Å; F558-F1038 HydrophobicContact CD2-CE2 4.22Å; F558-F1038 AromaticContact CD2-CZ 3.77Å; F558-F1038 HydrophobicContact CD2-CZ 3.77Å; F558-F1038 HydrophobicContact CG-CE2 4.26Å; F558-F1038 HydrophobicContact CG-CZ 4.2Å; I559-F1038 HydrophobicContact CD1-CD1 4.39Å; I559-F1038 HydrophobicContact CG1-CB 4.5Å; I559-F1038 HydrophobicContact CG1-CD1 4.44Å; T1003-F1038 PolarHBondContact O-N 2.83Å; E1004-F1038 WeakPolarHBondContact CA-O 3.11Å; L1005-F1038 PolarHBondContact N-O 3.41Å; F1038-V1042 HydrophobicContact CE2-CG2 3.95Å; F1038-V1042 HydrophobicContact CZ-CG2 3.87Å; F1038-L1043 HydrophobicContact CZ-CD2 4.28Å
1039	A	90.8	Very high	91.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	151.5	174.8	0	0	0	0	0	111.4	L1005 D1008 L1026 S1041	L1005-A1039 HydrophobicContact CB-CB 4.37Å; L1005-A1039 WeakPolarHBondContact O-CA 3.44Å; D1008-A1039 VanDerWaalsContact OD1-CB 3.26Å; D1008-A1039 WeakPolarHBondContact OD1-CB 3.39Å; L1026-A1039 HydrophobicContact CD2-CB 3.65Å; A1039-S1041 VanDerWaalsContact C-N 3.32Å; A1039-S1041 WeakPolarHBondContact CB-OG 3.45Å
1040	V	87.2	Confident	91.5	Very high	11 Å²	11	4.3 Å²	4.3	7%	0.067	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-73.2	-24.7	178.3	70.3	0	0	0	0	113.1	K493 Y494 L551 L1005 V1042 L1043	K493-V1040 HydrophobicContact CD-CG1 4.12Å; K493-V1040 HydrophobicContact CD-CG2 4.11Å; Y494-V1040 HydrophobicContact CE1-CG1 4.02Å; L551-V1040 HydrophobicContact CD1-CG2 4.45Å; L1005-V1040 PolarHBondContact O-N 3.02Å; V1040-V1042 VanDerWaalsContact C-N 3.28Å; V1040-V1042 PolarHBondContact O-N 3.12Å; V1040-L1043 HydrophobicContact CG2-CD1 4.38Å; V1040-L1043 WeakPolarHBondContact O-CB 3.45Å; V1040-L1043 PolarHBondContact O-N 3.11Å; V1040-L1043 VanDerWaalsContact O-N 3.1Å
1041	S	85.4	Confident	91.5	Very high	9 Å²	9	5.1 Å²	5.1	6%	0.063	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-49.4	-41.4	178.6	54.2	0	0	0	0	114.1	D1008 A1039 L1043 D1044	D1008-S1041 VanDerWaalsContact CG-OG 3.25Å; D1008-S1041 VanDerWaalsContact OD1-CB 3.23Å; D1008-S1041 WeakPolarHBondContact OD1-CB 3.36Å; D1008-S1041 PolarHBondContact OD1-OG 3.17Å; D1008-S1041 WeakPolarHBondContact OD2-CB 3.41Å; D1008-S1041 PolarHBondContact OD2-OG 3.4Å; A1039-S1041 VanDerWaalsContact C-N 3.32Å; A1039-S1041 WeakPolarHBondContact CB-OG 3.45Å; S1041-L1043 PolarHBondContact O-N 3.36Å; S1041-D1044 WeakPolarHBondContact O-CB 3.28Å; S1041-D1044 PolarHBondContact O-N 2.81Å
1042	V	87.6	Confident	91.2	Very high	10 Å²	10	7.6 Å²	7.6	6%	0.061	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-58.8	-23.9	-178	-51.2	0	0	0	0	112.9	A573 F576 L1026 F1032 F1038 V1040 D1044 S1045	A573-V1042 HydrophobicContact CB-CB 4.4Å; A573-V1042 HydrophobicContact CB-CG2 4.15Å; F576-V1042 WeakPolarHBondContact CE2-O 3.37Å; L1026-V1042 HydrophobicContact CD2-CG1 3.84Å; F1032-V1042 HydrophobicContact CE2-CG1 3.94Å; F1032-V1042 HydrophobicContact CZ-CG1 4.15Å; F1038-V1042 HydrophobicContact CE2-CG2 3.95Å; F1038-V1042 HydrophobicContact CZ-CG2 3.87Å; V1040-V1042 VanDerWaalsContact C-N 3.28Å; V1040-V1042 PolarHBondContact O-N 3.12Å; V1042-D1044 VanDerWaalsContact C-N 3.29Å; V1042-D1044 PolarHBondContact O-N 2.92Å; V1042-S1045 PolarHBondContact O-N 3.12Å
1043	L	89.6	Confident	90.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-75	-14.5	178.5	-57.1	-178.4	0	0	0	113.3	L551 L554 K555 F558 F576 F1038 V1040 S1041 S1045 L1046	L551-L1043 HydrophobicContact CB-CD1 4.5Å; L551-L1043 HydrophobicContact CD2-CB 3.89Å; L551-L1043 HydrophobicContact CD2-CD1 3.99Å; L554-L1043 HydrophobicContact CB-CD1 4.28Å; L554-L1043 HydrophobicContact CB-CD2 4.38Å; K555-L1043 HydrophobicContact CB-CD1 4.27Å; F558-L1043 HydrophobicContact CD2-CD2 4.09Å; F558-L1043 HydrophobicContact CE2-CD2 3.65Å; F576-L1043 HydrophobicContact CZ-CD2 4.23Å; F1038-L1043 HydrophobicContact CZ-CD2 4.28Å; V1040-L1043 HydrophobicContact CG2-CD1 4.38Å; V1040-L1043 WeakPolarHBondContact O-CB 3.45Å; V1040-L1043 PolarHBondContact O-N 3.11Å; V1040-L1043 VanDerWaalsContact O-N 3.1Å; S1041-L1043 PolarHBondContact O-N 3.36Å; L1043-S1045 VanDerWaalsContact C-N 3.31Å; L1043-S1045 PolarHBondContact O-N 3.25Å; L1043-L1046 VanDerWaalsContact O-CB 3.32Å; L1043-L1046 WeakPolarHBondContact O-CB 3.38Å; L1043-L1046 PolarHBondContact O-N 2.87Å
1044	D	86.8	Confident	90.3	Very high	10 Å²	10	12.8 Å²	12.8	5%	0.053	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-64.1	-37.3	173.3	-70.2	-25.2	0	0	0	111.1	N423 K493 Q524 S1041 V1042 L1046 M1047	N423-D1044 HydrophobicContact CB-CB 4.24Å; N423-D1044 PolarHBondContact ND2-OD2 3.15Å; K493-D1044 IonicContact NZ-OD1 2.88Å; K493-D1044 PolarHBondContact NZ-OD1 3.49Å; K493-D1044 IonicContact NZ-OD2 3.17Å; K493-D1044 PolarHBondContact NZ-OD2 3.29Å; Q524-D1044 PolarHBondContact NE2-OD1 2.98Å; S1041-D1044 WeakPolarHBondContact O-CB 3.28Å; S1041-D1044 PolarHBondContact O-N 2.81Å; V1042-D1044 VanDerWaalsContact C-N 3.29Å; V1042-D1044 PolarHBondContact O-N 2.92Å; D1044-L1046 PolarHBondContact O-N 2.99Å; D1044-L1046 VanDerWaalsContact O-N 3.11Å; D1044-M1047 WeakPolarHBondContact O-CB 3.36Å; D1044-M1047 PolarHBondContact O-N 3.2Å; D1044-M1047 VanDerWaalsContact O-N 3.13Å
1045	S	88.2	Confident	90	Very high	7 Å²	7	15.2 Å²	15.2	5%	0.049	8%	0.082	C	C	.	.	H	α-helix	trans	-52.9	-34.9	174.6	-58.4	0	0	0	0	112.3	D427 S577 V1042 L1043 M1047 S1048 A1049	D427-S1045 VanDerWaalsContact OD2-CA 3.27Å; D427-S1045 WeakPolarHBondContact OD2-CA 3.41Å; D427-S1045 WeakPolarHBondContact OD2-CB 3.33Å; D427-S1045 PolarHBondContact OD2-OG 3.5Å; S577-S1045 PolarHBondContact OG-OG 2.89Å; V1042-S1045 PolarHBondContact O-N 3.12Å; L1043-S1045 VanDerWaalsContact C-N 3.31Å; L1043-S1045 PolarHBondContact O-N 3.25Å; S1045-M1047 VanDerWaalsContact C-N 3.27Å; S1045-M1047 PolarHBondContact O-N 3.09Å; S1045-S1048 WeakPolarHBondContact O-CB 3.47Å; S1045-S1048 PolarHBondContact O-N 2.78Å; S1045-S1048 PolarHBondContact O-OG 3.36Å; S1045-A1049 PolarHBondContact O-N 3.11Å; S1045-A1049 VanDerWaalsContact O-N 3.14Å
1046	L	90.8	Very high	89.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-25.1	-175.5	-165.8	64	0	0	0	113.1	I549 L554 F576 L1043 D1044 S1048 A1049 T1050 I1056 L1057 I1060	I549-L1046 HydrophobicContact CD1-CB 4.44Å; I549-L1046 HydrophobicContact CD1-CD2 4.48Å; I549-L1046 HydrophobicContact CD1-CG 4.16Å; I549-L1046 HydrophobicContact CG2-CD2 4.06Å; L554-L1046 HydrophobicContact CD1-CD2 3.44Å; L554-L1046 VanDerWaalsContact CD1-CD2 3.44Å; F576-L1046 HydrophobicContact CB-CD1 4.34Å; F576-L1046 HydrophobicContact CD1-CD1 4.4Å; F576-L1046 HydrophobicContact CD2-CB 4.11Å; F576-L1046 HydrophobicContact CD2-CD1 4.01Å; F576-L1046 HydrophobicContact CE2-CB 4.07Å; F576-L1046 HydrophobicContact CE2-CD1 4.4Å; F576-L1046 HydrophobicContact CG-CD1 4.01Å; L1043-L1046 VanDerWaalsContact O-CB 3.32Å; L1043-L1046 WeakPolarHBondContact O-CB 3.38Å; L1043-L1046 PolarHBondContact O-N 2.87Å; D1044-L1046 PolarHBondContact O-N 2.99Å; D1044-L1046 VanDerWaalsContact O-N 3.11Å; L1046-S1048 VanDerWaalsContact C-N 3.3Å; L1046-S1048 PolarHBondContact O-N 3.3Å; L1046-A1049 HydrophobicContact CD1-CB 4.35Å; L1046-A1049 PolarHBondContact O-N 2.68Å; L1046-T1050 VanDerWaalsContact O-CB 3.27Å; L1046-T1050 WeakPolarHBondContact O-CB 3.38Å; L1046-T1050 PolarHBondContact O-N 2.68Å; L1046-T1050 PolarHBondContact O-OG1 2.98Å; L1046-I1056 HydrophobicContact CD1-CG2 4.37Å; L1046-L1057 HydrophobicContact CD2-CD1 3.92Å; L1046-I1060 HydrophobicContact CD1-CD1 3.76Å
1047	M	91.4	Very high	89.5	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-60.5	-41.8	171.3	-73.5	-68.1	-76.6	0	0	111.2	L488 L490 I522 Q524 I549 D1044 S1045 Y1051	L488-M1047 HydrophobicContact CB-CE 4.01Å; L488-M1047 HydrophobicContact CD2-CE 4.41Å; L488-M1047 HydrophobicContact CG-CE 4.26Å; L490-M1047 HydrophobicContact CD2-CE 4.18Å; L490-M1047 HydrophobicContact CD2-CG 4.44Å; I522-M1047 HydrophobicContact CB-CE 4.43Å; I522-M1047 HydrophobicContact CG2-CE 4Å; I522-M1047 HydrophobicContact CG2-SD 3.74Å; Q524-M1047 HydrophobicContact CG-CE 4.26Å; Q524-M1047 HydrophobicContact CG-CG 3.96Å; Q524-M1047 HydrophobicContact CG-SD 3.6Å; Q524-M1047 VanDerWaalsContact CG-SD 3.6Å; I549-M1047 HydrophobicContact CD1-CG 4.28Å; I549-M1047 HydrophobicContact CD1-SD 3.66Å; I549-M1047 HydrophobicContact CG1-SD 4.3Å; D1044-M1047 WeakPolarHBondContact O-CB 3.36Å; D1044-M1047 PolarHBondContact O-N 3.2Å; D1044-M1047 VanDerWaalsContact O-N 3.13Å; S1045-M1047 VanDerWaalsContact C-N 3.27Å; S1045-M1047 PolarHBondContact O-N 3.09Å; M1047-Y1051 PolarHBondContact O-N 3.35Å
1048	S	90.4	Very high	89.1	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-71	-45.1	176.5	78.9	0	0	0	0	111.5	R433 S1045 L1046 T1050 Y1051 F1052	R433-S1048 PolarHBondContact NH2-OG 3.04Å; S1045-S1048 WeakPolarHBondContact O-CB 3.47Å; S1045-S1048 PolarHBondContact O-N 2.78Å; S1045-S1048 PolarHBondContact O-OG 3.36Å; L1046-S1048 VanDerWaalsContact C-N 3.3Å; L1046-S1048 PolarHBondContact O-N 3.3Å; S1048-T1050 VanDerWaalsContact C-N 3.31Å; S1048-T1050 PolarHBondContact O-N 3.44Å; S1048-Y1051 PolarHBondContact O-N 2.89Å; S1048-F1052 VanDerWaalsContact O-CD2 3.24Å; S1048-F1052 WeakPolarHBondContact O-CD2 3.47Å; S1048-F1052 PolarHBondContact O-N 3.02Å
1049	A	90	Very high	88.9	Confident	11 Å²	11	17.7 Å²	17.7	9%	0.091	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-39.5	-179.1	0	0	0	0	0	112	F576 S1045 L1046 F1052 N1053	F576-A1049 HydrophobicContact CB-CB 4.25Å; S1045-A1049 PolarHBondContact O-N 3.11Å; S1045-A1049 VanDerWaalsContact O-N 3.14Å; L1046-A1049 HydrophobicContact CD1-CB 4.35Å; L1046-A1049 PolarHBondContact O-N 2.68Å; A1049-F1052 PolarHBondContact O-N 3.07Å; A1049-N1053 PolarHBondContact O-N 3.38Å
1050	T	92.1	Very high	88.9	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-38.8	176.9	-55.7	0	0	0	0	111.9	R520 I522 D547 L1046 S1048 N1053 D1054 L1057	R520-T1050 PolarHBondContact NH1-O 3.35Å; R520-T1050 PolarHBondContact NH2-O 3.27Å; I522-T1050 HydrophobicContact CD1-CG2 4.18Å; I522-T1050 HydrophobicContact CG2-CG2 4.21Å; D547-T1050 HydrophobicContact CB-CG2 3.72Å; D547-T1050 VanDerWaalsContact OD2-CG2 3.23Å; D547-T1050 WeakPolarHBondContact OD2-CG2 3.36Å; L1046-T1050 VanDerWaalsContact O-CB 3.27Å; L1046-T1050 WeakPolarHBondContact O-CB 3.38Å; L1046-T1050 PolarHBondContact O-N 2.68Å; L1046-T1050 PolarHBondContact O-OG1 2.98Å; S1048-T1050 VanDerWaalsContact C-N 3.31Å; S1048-T1050 PolarHBondContact O-N 3.44Å; T1050-N1053 CarbonylContact O-C 3.54Å; T1050-D1054 PolarHBondContact O-N 2.94Å; T1050-L1057 HydrophobicContact CG2-CB 4.15Å; T1050-L1057 HydrophobicContact CG2-CD2 4.24Å
1051	Y	92.3	Very high	89	Confident	19 Å²	19	18.7 Å²	18.7	8%	0.075	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-43.7	174.8	171.4	-105.7	0	0	0	112.6	I410 F428 D485 A486 L488 R520 M1047 S1048	I410-Y1051 HydrophobicContact CG2-CD2 4.27Å; I410-Y1051 HydrophobicContact CG2-CE1 4.37Å; I410-Y1051 HydrophobicContact CG2-CE2 3.65Å; F428-Y1051 AromaticContact CE2-CD1 3.41Å; F428-Y1051 HydrophobicContact CE2-CD1 3.41Å; F428-Y1051 VanDerWaalsContact CE2-CD1 3.41Å; F428-Y1051 AromaticContact CE2-CE1 3.87Å; F428-Y1051 HydrophobicContact CE2-CE1 3.87Å; F428-Y1051 HydrophobicContact CE2-CG 4.14Å; F428-Y1051 AromaticContact CZ-CD1 3.72Å; F428-Y1051 HydrophobicContact CZ-CD1 3.72Å; F428-Y1051 AromaticContact CZ-CE1 3.65Å; F428-Y1051 HydrophobicContact CZ-CE1 3.65Å; D485-Y1051 PolarHBondContact OD2-OH 2.77Å; A486-Y1051 HydrophobicContact CB-CD2 3.79Å; A486-Y1051 HydrophobicContact CB-CE2 3.77Å; L488-Y1051 HydrophobicContact CD1-CD2 4.46Å; R520-Y1051 PolarHBondContact NH1-O 2.83Å; R520-Y1051 VanDerWaalsContact NH1-O 3.13Å; M1047-Y1051 PolarHBondContact O-N 3.35Å; S1048-Y1051 PolarHBondContact O-N 2.89Å
1052	F	88.6	Confident	89.2	Confident	52 Å²	52	20.2 Å²	20.2	23%	0.228	11%	0.108	C	C	.	.	H	α-helix	trans	-80.1	-27.4	-179.6	-70.5	-72.2	0	0	0	113.8	F428 V436 S1048 A1049	F428-F1052 HydrophobicContact CD1-CZ 4.44Å; F428-F1052 AromaticContact CD2-CE2 3.94Å; F428-F1052 HydrophobicContact CD2-CE2 3.94Å; F428-F1052 HydrophobicContact CD2-CZ 4.44Å; F428-F1052 HydrophobicContact CE1-CE2 4.49Å; F428-F1052 HydrophobicContact CE1-CZ 4.07Å; F428-F1052 AromaticContact CE2-CE2 3.87Å; F428-F1052 HydrophobicContact CE2-CE2 3.87Å; F428-F1052 HydrophobicContact CE2-CZ 4.07Å; F428-F1052 HydrophobicContact CG-CE2 4.3Å; F428-F1052 HydrophobicContact CZ-CE2 4.15Å; F428-F1052 AromaticContact CZ-CZ 3.86Å; F428-F1052 HydrophobicContact CZ-CZ 3.86Å; V436-F1052 HydrophobicContact CB-CE1 4.1Å; V436-F1052 HydrophobicContact CG1-CE1 4.17Å; V436-F1052 HydrophobicContact CG2-CD1 4.44Å; V436-F1052 HydrophobicContact CG2-CE1 3.8Å; S1048-F1052 VanDerWaalsContact O-CD2 3.24Å; S1048-F1052 WeakPolarHBondContact O-CD2 3.47Å; S1048-F1052 PolarHBondContact O-N 3.02Å; A1049-F1052 PolarHBondContact O-N 3.07Å
1053	N	86.8	Confident	89.4	Confident	45 Å²	45	21 Å²	21	24%	0.241	11%	0.112	C	C	.	.			trans	-146.3	94.7	177.4	-71	-89.7	0	0	0	111.9	T603 A1049 T1050 N1055 I1056	T603-N1053 PolarHBondContact OG1-OD1 2.94Å; A1049-N1053 PolarHBondContact O-N 3.38Å; T1050-N1053 CarbonylContact O-C 3.54Å; N1053-N1055 PolarHBondContact O-N 3.23Å; N1053-I1056 HydrophobicContact CB-CB 4.47Å; N1053-I1056 HydrophobicContact CB-CD1 4.41Å; N1053-I1056 HydrophobicContact CB-CG1 3.45Å; N1053-I1056 VanDerWaalsContact CB-CG1 3.45Å; N1053-I1056 WeakPolarHBondContact O-CB 3.44Å; N1053-I1056 WeakPolarHBondContact O-CG1 3.32Å; N1053-I1056 PolarHBondContact O-N 2.9Å
1054	D	84.2	Confident	89.5	Confident	64 Å²	64	21 Å²	21	34%	0.342	11%	0.112	S	C	.	.	H	α-helix	trans	-49.2	-39.1	-178.8	-40.9	5.5	0	0	0	112.7	R520 T1050 I1056	R520-D1054 IonicContact CZ-OD1 2.7Å; R520-D1054 VanDerWaalsContact CZ-OD1 3.23Å; R520-D1054 IonicContact CZ-OD2 3.38Å; R520-D1054 IonicContact NH1-OD1 3.55Å; R520-D1054 PolarHBondContact NH1-OD1 3.45Å; R520-D1054 IonicContact NH1-OD2 3.36Å; R520-D1054 IonicContact NH2-OD1 3.05Å; R520-D1054 PolarHBondContact NH2-OD1 3.31Å; T1050-D1054 PolarHBondContact O-N 2.94Å; D1054-I1056 VanDerWaalsContact C-N 3.26Å; D1054-I1056 PolarHBondContact O-N 3.25Å
1055	N	87.6	Confident	89.5	Confident	55 Å²	55	21 Å²	21	29%	0.294	11%	0.112	S	C	.	.	H	α-helix	trans	-71	-14.8	-176.6	-61	-82.4	0	0	0	114.2	T603 F661 N1053 T1058 L1059	T603-N1055 HydrophobicContact CG2-CB 4.42Å; F661-N1055 HydrophobicContact CE1-CB 3.61Å; F661-N1055 HydrophobicContact CZ-CB 3.78Å; N1053-N1055 PolarHBondContact O-N 3.23Å; N1055-T1058 PolarHBondContact O-N 3.44Å; N1055-L1059 PolarHBondContact O-N 3.08Å
1056	I	88.6	Confident	89.1	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-46.8	-178.4	-65.3	-66.9	0	0	0	110.8	M601 T603 L1046 N1053 D1054 T1058 L1059 I1060	M601-I1056 HydrophobicContact CB-CD1 3.91Å; M601-I1056 HydrophobicContact CG-CD1 3.57Å; M601-I1056 WeakPolarHBondContact O-CD1 3.46Å; M601-I1056 HydrophobicContact SD-CD1 3.68Å; M601-I1056 HydrophobicContact SD-CG2 4.39Å; T603-I1056 HydrophobicContact CG2-CD1 4.2Å; L1046-I1056 HydrophobicContact CD1-CG2 4.37Å; N1053-I1056 HydrophobicContact CB-CB 4.47Å; N1053-I1056 HydrophobicContact CB-CD1 4.41Å; N1053-I1056 HydrophobicContact CB-CG1 3.45Å; N1053-I1056 VanDerWaalsContact CB-CG1 3.45Å; N1053-I1056 WeakPolarHBondContact O-CB 3.44Å; N1053-I1056 WeakPolarHBondContact O-CG1 3.32Å; N1053-I1056 PolarHBondContact O-N 2.9Å; D1054-I1056 VanDerWaalsContact C-N 3.26Å; D1054-I1056 PolarHBondContact O-N 3.25Å; I1056-T1058 VanDerWaalsContact C-N 3.28Å; I1056-T1058 PolarHBondContact O-N 3.13Å; I1056-L1059 PolarHBondContact O-N 2.94Å; I1056-I1060 HydrophobicContact CG2-CD1 3.62Å; I1056-I1060 HydrophobicContact CG2-CG1 4.34Å; I1056-I1060 WeakPolarHBondContact O-CB 3.23Å; I1056-I1060 WeakPolarHBondContact O-CG1 3.39Å; I1056-I1060 PolarHBondContact O-N 3.28Å
1057	L	90.4	Very high	88.3	Confident	4 Å²	4	21 Å²	21	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-58.6	-43.5	175.2	-177.5	64.9	0	0	0	110.6	D547 I549 L554 L1046 T1050 L1059 I1060 R1061	D547-L1057 HydrophobicContact CB-CD2 3.88Å; I549-L1057 HydrophobicContact CG1-CD1 4.2Å; I549-L1057 HydrophobicContact CG1-CD2 3.93Å; L554-L1057 HydrophobicContact CD1-CD1 4.24Å; L1046-L1057 HydrophobicContact CD2-CD1 3.92Å; T1050-L1057 HydrophobicContact CG2-CB 4.15Å; T1050-L1057 HydrophobicContact CG2-CD2 4.24Å; L1057-L1059 PolarHBondContact O-N 3.09Å; L1057-I1060 PolarHBondContact O-N 3.16Å; L1057-R1061 HydrophobicContact CD1-CG 4.11Å; L1057-R1061 HydrophobicContact CG-CG 4.29Å; L1057-R1061 VanDerWaalsContact O-CB 3.28Å; L1057-R1061 WeakPolarHBondContact O-CB 3.29Å; L1057-R1061 WeakPolarHBondContact O-CG 3.43Å; L1057-R1061 PolarHBondContact O-N 3.17Å
1058	T	88.1	Confident	87.6	Confident	64 Å²	64	21.4 Å²	21.4	39%	0.393	12%	0.117	S	C	.	.	H	α-helix	trans	-65.3	-40.9	-179.6	-53.4	0	0	0	0	112.1	I644 N1055 I1056 T1062	I644-T1058 HydrophobicContact CD1-CG2 3.63Å; I644-T1058 HydrophobicContact CG1-CG2 4.42Å; N1055-T1058 PolarHBondContact O-N 3.44Å; I1056-T1058 VanDerWaalsContact C-N 3.28Å; I1056-T1058 PolarHBondContact O-N 3.13Å; T1058-T1062 WeakPolarHBondContact O-CB 3.03Å; T1058-T1062 PolarHBondContact O-N 2.92Å; T1058-T1062 PolarHBondContact O-OG1 3.01Å
1059	L	90.5	Very high	87.1	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-49.3	174.9	171.1	56.8	0	0	0	111.6	M601 A632 I644 I646 F661 N1055 I1056 L1057 R1061 T1062 L1063	M601-L1059 HydrophobicContact SD-CD2 3.53Å; M601-L1059 VanDerWaalsContact SD-CD2 3.53Å; M601-L1059 HydrophobicContact SD-CG 4.18Å; A632-L1059 HydrophobicContact CB-CD1 3.91Å; A632-L1059 HydrophobicContact CB-CD2 4.47Å; I644-L1059 HydrophobicContact CD1-CB 4.19Å; I644-L1059 HydrophobicContact CG2-CB 4.47Å; I644-L1059 HydrophobicContact CG2-CD1 3.92Å; I646-L1059 HydrophobicContact CD1-CD1 3.8Å; I646-L1059 HydrophobicContact CG1-CD1 3.7Å; F661-L1059 HydrophobicContact CB-CD2 3.75Å; F661-L1059 HydrophobicContact CD1-CB 4.23Å; F661-L1059 HydrophobicContact CD1-CD2 3.35Å; F661-L1059 HydrophobicContact CD1-CG 4.37Å; F661-L1059 HydrophobicContact CE1-CB 4.07Å; F661-L1059 HydrophobicContact CE1-CD2 4.05Å; F661-L1059 HydrophobicContact CG-CD2 3.69Å; N1055-L1059 PolarHBondContact O-N 3.08Å; I1056-L1059 PolarHBondContact O-N 2.94Å; L1057-L1059 PolarHBondContact O-N 3.09Å; L1059-R1061 PolarHBondContact O-N 3.44Å; L1059-T1062 PolarHBondContact O-N 3.21Å; L1059-T1062 VanDerWaalsContact O-N 3.17Å; L1059-L1063 PolarHBondContact O-N 3.47Å
1060	I	90.9	Very high	86.7	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-50.2	178.5	-71.1	172.3	0	0	0	109.8	L554 F558 F576 M601 L1046 I1056 L1057 T1062 L1063 V1064	L554-I1060 HydrophobicContact CD2-CG2 4.08Å; F558-I1060 HydrophobicContact CE1-CG2 4.22Å; F558-I1060 HydrophobicContact CZ-CG2 3.71Å; F576-I1060 HydrophobicContact CD1-CD1 3.62Å; F576-I1060 HydrophobicContact CE1-CD1 4.14Å; F576-I1060 HydrophobicContact CG-CD1 4.28Å; M601-I1060 HydrophobicContact CE-CG1 4.15Å; M601-I1060 HydrophobicContact SD-CG1 4.46Å; L1046-I1060 HydrophobicContact CD1-CD1 3.76Å; I1056-I1060 HydrophobicContact CG2-CD1 3.62Å; I1056-I1060 HydrophobicContact CG2-CG1 4.34Å; I1056-I1060 WeakPolarHBondContact O-CB 3.23Å; I1056-I1060 WeakPolarHBondContact O-CG1 3.39Å; I1056-I1060 PolarHBondContact O-N 3.28Å; L1057-I1060 PolarHBondContact O-N 3.16Å; I1060-T1062 VanDerWaalsContact C-N 3.33Å; I1060-T1062 PolarHBondContact O-N 2.85Å; I1060-L1063 PolarHBondContact O-N 3.47Å; I1060-V1064 HydrophobicContact CG2-CG2 3.95Å; I1060-V1064 WeakPolarHBondContact O-CB 3.3Å; I1060-V1064 WeakPolarHBondContact O-CG2 3.46Å; I1060-V1064 PolarHBondContact O-N 2.93Å
1061	R	89.9	Confident	86.1	Confident	31 Å²	31	29.4 Å²	29.4	12%	0.117	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-44.5	175.7	-71.9	-176.4	70.2	-139.9	-12.2	112	E553 L554 L1057 L1059 L1063 V1064 T1065 E1073	E553-R1061 IonicContact OE1-CZ 2.85Å; E553-R1061 IonicContact OE1-NE 2.76Å; E553-R1061 PolarHBondContact OE1-NE 3.43Å; E553-R1061 IonicContact OE1-NH2 3.9Å; E553-R1061 PolarHBondContact OE1-NH2 2.72Å; E553-R1061 IonicContact OE2-CZ 2.65Å; E553-R1061 IonicContact OE2-NE 3.83Å; E553-R1061 IonicContact OE2-NH2 3.25Å; L554-R1061 HydrophobicContact CD2-CG 4.15Å; L1057-R1061 HydrophobicContact CD1-CG 4.11Å; L1057-R1061 HydrophobicContact CG-CG 4.29Å; L1057-R1061 VanDerWaalsContact O-CB 3.28Å; L1057-R1061 WeakPolarHBondContact O-CB 3.29Å; L1057-R1061 WeakPolarHBondContact O-CG 3.43Å; L1057-R1061 PolarHBondContact O-N 3.17Å; L1059-R1061 PolarHBondContact O-N 3.44Å; R1061-L1063 PolarHBondContact O-N 3.23Å; R1061-V1064 PolarHBondContact O-N 3.38Å; R1061-T1065 WeakPolarHBondContact O-CB 3.42Å; R1061-T1065 WeakPolarHBondContact O-CG2 3.42Å; R1061-T1065 PolarHBondContact O-N 3.12Å; R1061-T1065 PolarHBondContact O-OG1 2.71Å; R1061-E1073 IonicContact CZ-OE1 2.64Å; R1061-E1073 IonicContact CZ-OE2 3.97Å; R1061-E1073 IonicContact NH1-OE1 3.98Å; R1061-E1073 PolarHBondContact NH1-OE1 3.08Å; R1061-E1073 IonicContact NH1-OE2 2.8Å; R1061-E1073 PolarHBondContact NH1-OE2 2.79Å; R1061-E1073 IonicContact NH2-OE1 3.23Å; R1061-E1073 PolarHBondContact NH2-OE1 3.45Å; R1061-E1073 IonicContact NH2-OE2 2.71Å; R1061-E1073 PolarHBondContact NH2-OE2 3.3Å
1062	T	89.3	Confident	85.7	Confident	41 Å²	41	28.5 Å²	28.5	25%	0.252	16%	0.157	S	C	.	.	H	α-helix	trans	-61.5	-42.7	178.9	-58.3	0	0	0	0	112.2	I646 T1058 L1059 I1060 G1067	I646-T1062 HydrophobicContact CD1-CG2 3.88Å; T1058-T1062 WeakPolarHBondContact O-CB 3.03Å; T1058-T1062 PolarHBondContact O-N 2.92Å; T1058-T1062 PolarHBondContact O-OG1 3.01Å; L1059-T1062 PolarHBondContact O-N 3.21Å; L1059-T1062 VanDerWaalsContact O-N 3.17Å; I1060-T1062 VanDerWaalsContact C-N 3.33Å; I1060-T1062 PolarHBondContact O-N 2.85Å; T1062-G1067 PolarHBondContact O-N 3.31Å
1063	L	90.1	Very high	85.4	Confident	27 Å²	27	27.1 Å²	27.1	14%	0.141	15%	0.151	C	C	.	.	H	α-helix	trans	-68.8	-47.8	177.4	-179.2	61.2	0	0	0	112	Q561 L572 I646 L1059 I1060 R1061 V1100 L1175	Q561-L1063 PolarHBondContact NE2-O 2.8Å; L572-L1063 HydrophobicContact CD1-CD2 3.96Å; L572-L1063 HydrophobicContact CD2-CD2 3.82Å; I646-L1063 HydrophobicContact CD1-CB 3.78Å; I646-L1063 HydrophobicContact CD1-CD1 4.17Å; L1059-L1063 PolarHBondContact O-N 3.47Å; I1060-L1063 PolarHBondContact O-N 3.47Å; R1061-L1063 PolarHBondContact O-N 3.23Å; L1063-V1100 HydrophobicContact CD1-CG2 3.82Å; L1063-L1175 HydrophobicContact CD1-CD2 4.23Å
1064	V	92.1	Very high	85.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-82.1	-42.5	-166.3	172.4	0	0	0	0	112.7	G557 F558 Q561 L572 I1060 R1061 G1066	G557-V1064 VanDerWaalsContact CA-CG1 3.49Å; F558-V1064 HydrophobicContact CD1-CG1 4.31Å; F558-V1064 HydrophobicContact CD1-CG2 3.87Å; F558-V1064 HydrophobicContact CE1-CG2 3.55Å; F558-V1064 HydrophobicContact CG-CG1 4.44Å; F558-V1064 HydrophobicContact CZ-CG2 4.2Å; Q561-V1064 PolarHBondContact NE2-O 3.43Å; L572-V1064 HydrophobicContact CD1-CG2 3.91Å; I1060-V1064 HydrophobicContact CG2-CG2 3.95Å; I1060-V1064 WeakPolarHBondContact O-CB 3.3Å; I1060-V1064 WeakPolarHBondContact O-CG2 3.46Å; I1060-V1064 PolarHBondContact O-N 2.93Å; R1061-V1064 PolarHBondContact O-N 3.38Å; V1064-G1066 PolarHBondContact O-N 3.03Å
1065	T	88.2	Confident	85	Confident	8 Å²	8	26.6 Å²	26.6	5%	0.049	16%	0.155	C	C	.	.	S	Bend	trans	-74.7	-8.5	-179.9	63	0	0	0	0	113.7	E553 R1061 G1067 A1068	E553-T1065 HydrophobicContact CG-CG2 4.06Å; E553-T1065 WeakPolarHBondContact OE1-CG2 3.44Å; R1061-T1065 WeakPolarHBondContact O-CB 3.42Å; R1061-T1065 WeakPolarHBondContact O-CG2 3.42Å; R1061-T1065 PolarHBondContact O-N 3.12Å; R1061-T1065 PolarHBondContact O-OG1 2.71Å; T1065-G1067 VanDerWaalsContact C-N 3.3Å; T1065-G1067 PolarHBondContact OG1-N 2.83Å; T1065-A1068 HydrophobicContact CG2-CB 4.2Å; T1065-A1068 WeakPolarHBondContact OG1-CB 3.38Å; T1065-A1068 PolarHBondContact OG1-N 2.84Å
1066	G	79.1	Confident	84.7	Confident	5 Å²	5	24.4 Å²	24.4	5%	0.052	14%	0.143	C	C	.	.	S	Bend	trans	73.3	22.4	-166.9	0	0	0	0	0	113.2	V1064 R1097	V1064-G1066 PolarHBondContact O-N 3.03Å; G1066-R1097 PolarHBondContact O-NH1 2.81Å; G1066-R1097 PolarHBondContact O-NH2 2.6Å
1067	G	74.4	Confident	84.2	Confident	3 Å²	3	25.8 Å²	25.8	3%	0.031	16%	0.156	C	C	.	.			trans	99.2	45.1	170.7	0	0	0	0	0	115.8	M814 T1062 T1065 T1069	M814-G1067 WeakPolarHBondContact CE-O 3.41Å; T1062-G1067 PolarHBondContact O-N 3.31Å; T1065-G1067 VanDerWaalsContact C-N 3.3Å; T1065-G1067 PolarHBondContact OG1-N 2.83Å; G1067-T1069 PolarHBondContact O-N 2.62Å; G1067-T1069 VanDerWaalsContact O-N 3.1Å
1068	A	75.9	Confident	83.5	Confident	10 Å²	10	32.1 Å²	32.1	8%	0.083	19%	0.185	C	C	.	.			trans	-62.7	108.7	168.1	0	0	0	0	0	110.7	T1065	T1065-A1068 HydrophobicContact CG2-CB 4.2Å; T1065-A1068 WeakPolarHBondContact OG1-CB 3.38Å; T1065-A1068 PolarHBondContact OG1-N 2.84Å
1069	T	81.3	Confident	82.6	Confident	30 Å²	30	33.7 Å²	33.7	18%	0.184	19%	0.188	C	C	.	.			trans	-87.7	156.9	175.8	55.5	0	0	0	0	111.1	M814 G1067 E1071 L1072 E1073	M814-T1069 HydrophobicContact CE-CG2 4.23Å; G1067-T1069 PolarHBondContact O-N 2.62Å; G1067-T1069 VanDerWaalsContact O-N 3.1Å; T1069-E1071 PolarHBondContact O-N 2.77Å; T1069-L1072 WeakPolarHBondContact O-CA 3.42Å; T1069-L1072 WeakPolarHBondContact O-CB 3.24Å; T1069-L1072 PolarHBondContact O-N 2.89Å; T1069-L1072 PolarHBondContact OG1-N 2.97Å; T1069-E1073 PolarHBondContact O-N 3.15Å
1070	P	80.1	Confident	82.1	Confident	65 Å²	65	36.8 Å²	36.8	42%	0.422	21%	0.205	S	C	.	.	H	α-helix	trans	-58	-27.6	170.6	-26.1	35.7	0	0	0	113.5	W542 L1072 E1073 A1074	W542-P1070 HydrophobicContact CH2-CG 4.36Å; W542-P1070 HydrophobicContact CZ2-CB 4.32Å; W542-P1070 HydrophobicContact CZ2-CG 4.43Å; P1070-L1072 VanDerWaalsContact C-N 3.32Å; P1070-E1073 PolarHBondContact O-N 3.03Å; P1070-A1074 PolarHBondContact O-N 3.03Å
1071	E	79.8	Confident	81.7	Confident	83 Å²	83	38.7 Å²	38.7	39%	0.388	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-41.8	170.4	-58.2	168.6	-164.7	0	0	111.6	R643 T1069 L1075	R643-E1071 IonicContact CZ-OE1 3.06Å; R643-E1071 IonicContact NH1-OE1 3.52Å; R643-E1071 PolarHBondContact NH1-OE1 2.89Å; R643-E1071 IonicContact NH2-OE1 3.63Å; R643-E1071 PolarHBondContact NH2-OE1 3.38Å; T1069-E1071 PolarHBondContact O-N 2.77Å; E1071-L1075 WeakPolarHBondContact O-CG 3.43Å; E1071-L1075 PolarHBondContact O-N 3.42Å
1072	L	84.1	Confident	81.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-74.8	-38.4	176.4	-177.7	61.9	0	0	0	112	T812 F815 T1069 P1070 A1074 L1075 I1076 L1082	T812-L1072 HydrophobicContact CG2-CB 4.28Å; T812-L1072 HydrophobicContact CG2-CD1 4.17Å; F815-L1072 HydrophobicContact CD2-CD2 3.9Å; F815-L1072 HydrophobicContact CE2-CD2 3.5Å; F815-L1072 VanDerWaalsContact CE2-CD2 3.5Å; T1069-L1072 WeakPolarHBondContact O-CA 3.42Å; T1069-L1072 WeakPolarHBondContact O-CB 3.24Å; T1069-L1072 PolarHBondContact O-N 2.89Å; T1069-L1072 PolarHBondContact OG1-N 2.97Å; P1070-L1072 VanDerWaalsContact C-N 3.32Å; L1072-A1074 VanDerWaalsContact C-N 3.29Å; L1072-A1074 PolarHBondContact O-N 3.25Å; L1072-L1075 PolarHBondContact O-N 2.66Å; L1072-I1076 HydrophobicContact CD1-CD1 4.14Å; L1072-I1076 HydrophobicContact CD1-CG1 4.27Å; L1072-I1076 HydrophobicContact CG-CD1 3.9Å; L1072-I1076 HydrophobicContact CG-CG1 4.43Å; L1072-I1076 VanDerWaalsContact O-CG1 3.32Å; L1072-I1076 WeakPolarHBondContact O-CG1 3.43Å; L1072-I1076 PolarHBondContact O-N 3.06Å; L1072-L1082 HydrophobicContact CD1-CD1 3.8Å
1073	E	82.6	Confident	81.3	Confident	22 Å²	22	40 Å²	40	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-40.5	175.4	-62.7	-166	105.2	0	0	111.3	K531 L535 R1061 T1069 P1070 I1076 A1077	K531-E1073 IonicContact NZ-OE1 2.78Å; K531-E1073 PolarHBondContact NZ-OE1 3.19Å; L535-E1073 HydrophobicContact CD1-CB 4.15Å; R1061-E1073 IonicContact CZ-OE1 2.64Å; R1061-E1073 IonicContact CZ-OE2 3.97Å; R1061-E1073 IonicContact NH1-OE1 3.98Å; R1061-E1073 PolarHBondContact NH1-OE1 3.08Å; R1061-E1073 IonicContact NH1-OE2 2.8Å; R1061-E1073 PolarHBondContact NH1-OE2 2.79Å; R1061-E1073 IonicContact NH2-OE1 3.23Å; R1061-E1073 PolarHBondContact NH2-OE1 3.45Å; R1061-E1073 IonicContact NH2-OE2 2.71Å; R1061-E1073 PolarHBondContact NH2-OE2 3.3Å; T1069-E1073 PolarHBondContact O-N 3.15Å; P1070-E1073 PolarHBondContact O-N 3.03Å; E1073-I1076 PolarHBondContact O-N 3.11Å; E1073-A1077 WeakPolarHBondContact O-CB 3.29Å; E1073-A1077 PolarHBondContact O-N 2.92Å
1074	A	79.6	Confident	81.1	Confident	52 Å²	52	39.3 Å²	39.3	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-43.3	173.8	0	0	0	0	0	112.9	P1070 L1072 I1076 A1077 E1078	P1070-A1074 PolarHBondContact O-N 3.03Å; L1072-A1074 VanDerWaalsContact C-N 3.29Å; L1072-A1074 PolarHBondContact O-N 3.25Å; A1074-I1076 VanDerWaalsContact C-N 3.29Å; A1074-I1076 PolarHBondContact O-N 3.08Å; A1074-A1077 WeakPolarHBondContact O-CB 3.12Å; A1074-A1077 PolarHBondContact O-N 2.81Å; A1074-E1078 PolarHBondContact O-N 3.28Å
1075	L	82.9	Confident	80.7	Confident	46 Å²	46	39.7 Å²	39.7	24%	0.241	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-34.2	176	-74.8	166.9	0	0	0	112.8	T812 E1071 L1072	T812-L1075 HydrophobicContact CG2-CD1 3.75Å; E1071-L1075 WeakPolarHBondContact O-CG 3.43Å; E1071-L1075 PolarHBondContact O-N 3.42Å; L1072-L1075 PolarHBondContact O-N 2.66Å
1076	I	82	Confident	80.6	Confident	9 Å²	9	46 Å²	46	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-75.5	-32.3	175.2	-62.3	170.3	0	0	0	110.6	Y528 M862 L1072 E1073 A1074 E1078 N1080	Y528-I1076 HydrophobicContact CE1-CD1 4.13Å; Y528-I1076 HydrophobicContact CE1-CG2 4.16Å; M862-I1076 HydrophobicContact CE-CD1 4.44Å; L1072-I1076 HydrophobicContact CD1-CD1 4.14Å; L1072-I1076 HydrophobicContact CD1-CG1 4.27Å; L1072-I1076 HydrophobicContact CG-CD1 3.9Å; L1072-I1076 HydrophobicContact CG-CG1 4.43Å; L1072-I1076 VanDerWaalsContact O-CG1 3.32Å; L1072-I1076 WeakPolarHBondContact O-CG1 3.43Å; L1072-I1076 PolarHBondContact O-N 3.06Å; E1073-I1076 PolarHBondContact O-N 3.11Å; A1074-I1076 VanDerWaalsContact C-N 3.29Å; A1074-I1076 PolarHBondContact O-N 3.08Å; I1076-E1078 VanDerWaalsContact C-N 3.28Å; I1076-E1078 PolarHBondContact O-N 3.43Å; I1076-N1080 WeakPolarHBondContact O-CA 3.44Å; I1076-N1080 PolarHBondContact O-N 3.41Å
1077	A	76.4	Confident	81	Confident	34 Å²	34	47.9 Å²	47.9	28%	0.281	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-28.2	174.4	0	0	0	0	0	113.7	A532 E1073 A1074	A532-A1077 HydrophobicContact CB-CB 3.77Å; E1073-A1077 WeakPolarHBondContact O-CB 3.29Å; E1073-A1077 PolarHBondContact O-N 2.92Å; A1074-A1077 WeakPolarHBondContact O-CB 3.12Å; A1074-A1077 PolarHBondContact O-N 2.81Å
1078	E	76.5	Confident	81.6	Confident	136 Å²	136	50.7 Å²	50.7	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-74	-41.4	176.8	-73	-173.9	176	0	0	114.2	A1074 I1076 R1083	A1074-E1078 PolarHBondContact O-N 3.28Å; I1076-E1078 VanDerWaalsContact C-N 3.28Å; I1076-E1078 PolarHBondContact O-N 3.43Å; E1078-R1083 IonicContact OE2-CZ 2.68Å; E1078-R1083 IonicContact OE2-NH1 3.31Å; E1078-R1083 PolarHBondContact OE2-NH1 3.35Å; E1078-R1083 IonicContact OE2-NH2 2.61Å; E1078-R1083 PolarHBondContact OE2-NH2 3.12Å
1079	E	69.6	Low	82	Confident	98 Å²	98	55.7 Å²	55.7	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-129	-7.7	-168	-77	-169	169.9	0	0	115.2	A1081 R1083	E1079-A1081 HydrophobicContact CB-CB 4.29Å; E1079-A1081 PolarHBondContact O-N 3.45Å; E1079-R1083 VanDerWaalsContact CD-CZ 3.41Å; E1079-R1083 IonicContact OE1-CZ 3.37Å; E1079-R1083 VanDerWaalsContact OE1-CZ 3.3Å; E1079-R1083 IonicContact OE1-NE 2.69Å; E1079-R1083 PolarHBondContact OE1-NE 2.92Å; E1079-R1083 VanDerWaalsContact OE1-NE 3.14Å; E1079-R1083 IonicContact OE1-NH2 3.75Å; E1079-R1083 PolarHBondContact OE1-NH2 3.01Å; E1079-R1083 WeakPolarHBondContact OE2-CG 3.44Å; E1079-R1083 IonicContact OE2-CZ 3.87Å; E1079-R1083 IonicContact OE2-NE 2.71Å; E1079-R1083 PolarHBondContact OE2-NE 3.31Å; E1079-R1083 IonicContact OE2-NH2 3.22Å
1080	N	79.8	Confident	82.2	Confident	70 Å²	70	61.6 Å²	61.6	37%	0.374	34%	0.335	S	S	.	.	S	Bend	trans	54.4	-0.6	-163.2	-157.8	11.6	0	0	0	115	R858 I1076	R858-N1080 VanDerWaalsContact CZ-O 3.3Å; R858-N1080 PolarHBondContact NH1-O 2.95Å; R858-N1080 PolarHBondContact NH1-OD1 2.87Å; R858-N1080 VanDerWaalsContact NH1-OD1 3.14Å; R858-N1080 PolarHBondContact NH2-O 2.94Å; R858-N1080 VanDerWaalsContact NH2-O 3.14Å; I1076-N1080 WeakPolarHBondContact O-CA 3.44Å; I1076-N1080 PolarHBondContact O-N 3.41Å
1081	A	81.6	Confident	82.4	Confident	41 Å²	41	59.3 Å²	59.3	34%	0.339	32%	0.32	S	S	.	.	S	Bend	trans	-105.2	170.2	-175.4	0	0	0	0	0	113.2	E1079	E1079-A1081 HydrophobicContact CB-CB 4.29Å; E1079-A1081 PolarHBondContact O-N 3.45Å
1082	L	84.9	Confident	82.7	Confident	11 Å²	11	58.3 Å²	58.3	6%	0.058	32%	0.317	C	S	.	.			trans	-104.9	101.3	172.2	-169.9	69.1	0	0	0	109.8	D810 F815 W817 F896 L1072	D810-L1082 HydrophobicContact CB-CD1 3.87Å; D810-L1082 HydrophobicContact CB-CD2 4.08Å; D810-L1082 HydrophobicContact CB-CG 3.85Å; F815-L1082 HydrophobicContact CB-CD2 4.33Å; W817-L1082 PolarHBondContact NE1-O 3.3Å; F896-L1082 HydrophobicContact CE1-CD2 4.08Å; F896-L1082 HydrophobicContact CZ-CD2 4.32Å; L1072-L1082 HydrophobicContact CD1-CD1 3.8Å
1083	R	85.9	Confident	82.7	Confident	90 Å²	90	61.1 Å²	61.1	34%	0.34	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-66.9	132.5	178.9	-70.7	176.4	172.4	152.1	-4	111.4	D810 S811 E1078 E1079	D810-R1083 CarbonylContact C-O 3.57Å; D810-R1083 WeakPolarHBondContact CA-O 3.46Å; S811-R1083 PolarHBondContact N-O 2.92Å; S811-R1083 PolarHBondContact OG-O 3.46Å; E1078-R1083 IonicContact OE2-CZ 2.68Å; E1078-R1083 IonicContact OE2-NH1 3.31Å; E1078-R1083 PolarHBondContact OE2-NH1 3.35Å; E1078-R1083 IonicContact OE2-NH2 2.61Å; E1078-R1083 PolarHBondContact OE2-NH2 3.12Å; E1079-R1083 VanDerWaalsContact CD-CZ 3.41Å; E1079-R1083 IonicContact OE1-CZ 3.37Å; E1079-R1083 VanDerWaalsContact OE1-CZ 3.3Å; E1079-R1083 IonicContact OE1-NE 2.69Å; E1079-R1083 PolarHBondContact OE1-NE 2.92Å; E1079-R1083 VanDerWaalsContact OE1-NE 3.14Å; E1079-R1083 IonicContact OE1-NH2 3.75Å; E1079-R1083 PolarHBondContact OE1-NH2 3.01Å; E1079-R1083 WeakPolarHBondContact OE2-CG 3.44Å; E1079-R1083 IonicContact OE2-CZ 3.87Å; E1079-R1083 IonicContact OE2-NE 2.71Å; E1079-R1083 PolarHBondContact OE2-NE 3.31Å; E1079-R1083 IonicContact OE2-NH2 3.22Å
1084	G	85.5	Confident	82.9	Confident	11 Å²	11	62.3 Å²	62.3	11%	0.113	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.3	176	0	0	0	0	0	113.2	K807 W817	K807-G1084 WeakPolarHBondContact CD-O 3.43Å; K807-G1084 WeakPolarHBondContact CE-O 3.46Å; K807-G1084 PolarHBondContact NZ-O 2.95Å; W817-G1084 VanDerWaalsContact CD2-CA 3.48Å
1085	G	85.3	Confident	83.2	Confident	9 Å²	9	60.9 Å²	60.9	9%	0.093	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	165.9	-176.3	0	0	0	0	0	114.8	K807 Y809	K807-G1085 WeakPolarHBondContact CB-O 3.44Å; K807-G1085 WeakPolarHBondContact CG-O 3.17Å; Y809-G1085 PolarHBondContact O-N 2.86Å
1086	Y	86.1	Confident	83.3	Confident	140 Å²	140	61.9 Å²	61.9	55%	0.549	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-91.5	144.6	164.1	-69.1	-70.5	0	0	0	109.9	K807 T1088	K807-Y1086 HydrophobicContact CG-CD1 4.24Å; K807-Y1086 HydrophobicContact CG-CE1 4.15Å; Y1086-T1088 PolarHBondContact O-N 3.22Å
1087	S	86.4	Confident	83.6	Confident	44 Å²	44	63.9 Å²	63.9	31%	0.308	34%	0.343	S	S	.	.			trans	-79.5	80.7	-172.8	-55.4	0	0	0	0	112.1
1088	T	87.4	Confident	84.2	Confident	63 Å²	63	63 Å²	63	39%	0.387	34%	0.335	S	S	.	.			trans	-75.2	158.6	172.5	83.2	0	0	0	0	111.3	Y1086 Q1090 T1091 L1092	Y1086-T1088 PolarHBondContact O-N 3.22Å; T1088-Q1090 PolarHBondContact O-N 3.42Å; T1088-Q1090 PolarHBondContact OG1-N 3.29Å; T1088-T1091 WeakPolarHBondContact O-CB 3.27Å; T1088-T1091 PolarHBondContact O-N 3.15Å; T1088-T1091 VanDerWaalsContact O-N 3.14Å; T1088-T1091 WeakPolarHBondContact OG1-CB 3.26Å; T1088-T1091 PolarHBondContact OG1-N 3.01Å; T1088-T1091 PolarHBondContact OG1-OG1 3.39Å; T1088-L1092 WeakPolarHBondContact O-CG 3.49Å; T1088-L1092 PolarHBondContact O-N 2.74Å
1089	P	85.2	Confident	84.8	Confident	115 Å²	115	58.4 Å²	58.4	75%	0.747	31%	0.312	S	S	*	.	H	α-helix	trans	-56.9	-33.7	173.9	-26.6	35.9	0	0	0	113.6	L1092 A1093	P1089-L1092 PolarHBondContact O-N 2.89Å; P1089-A1093 PolarHBondContact O-N 3.47Å
1090	Q	83.6	Confident	85.8	Confident	154 Å²	154	54 Å²	54	72%	0.72	29%	0.291	S	S	*	.	H	α-helix	trans	-71.3	-43.1	175.7	-175.6	175.3	-12.6	0	0	111.5	T1088 L1092 A1093 N1094	T1088-Q1090 PolarHBondContact O-N 3.42Å; T1088-Q1090 PolarHBondContact OG1-N 3.29Å; Q1090-L1092 PolarHBondContact O-N 2.85Å; Q1090-A1093 PolarHBondContact O-N 3.25Å; Q1090-A1093 VanDerWaalsContact O-N 3.16Å; Q1090-N1094 PolarHBondContact O-N 3.06Å
1091	T	84.9	Confident	86.4	Confident	16 Å²	16	51.4 Å²	51.4	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-36.2	172.6	-49.5	0	0	0	0	111.6	T1088	T1088-T1091 WeakPolarHBondContact O-CB 3.27Å; T1088-T1091 PolarHBondContact O-N 3.15Å; T1088-T1091 VanDerWaalsContact O-N 3.14Å; T1088-T1091 WeakPolarHBondContact OG1-CB 3.26Å; T1088-T1091 PolarHBondContact OG1-N 3.01Å; T1088-T1091 PolarHBondContact OG1-OG1 3.39Å
1092	L	85.9	Confident	86.9	Confident	62 Å²	62	51.7 Å²	51.7	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-78.4	-28.2	176.9	-68.2	173	0	0	0	113.2	Y809 T1088 P1089 Q1090 N1094 R1095	Y809-L1092 HydrophobicContact CD2-CD2 4.34Å; Y809-L1092 HydrophobicContact CE2-CD2 3.86Å; T1088-L1092 WeakPolarHBondContact O-CG 3.49Å; T1088-L1092 PolarHBondContact O-N 2.74Å; P1089-L1092 PolarHBondContact O-N 2.89Å; Q1090-L1092 PolarHBondContact O-N 2.85Å; L1092-N1094 VanDerWaalsContact C-N 3.33Å; L1092-R1095 VanDerWaalsContact O-CB 3.27Å; L1092-R1095 WeakPolarHBondContact O-CB 3.26Å; L1092-R1095 VanDerWaalsContact O-CG 3.31Å; L1092-R1095 WeakPolarHBondContact O-CG 3.34Å; L1092-R1095 PolarHBondContact O-N 2.72Å
1093	A	85.1	Confident	87.3	Confident	61 Å²	61	52.9 Å²	52.9	50%	0.504	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-32	173.9	0	0	0	0	0	112.4	P1089 Q1090 R1095 D1096	P1089-A1093 PolarHBondContact O-N 3.47Å; Q1090-A1093 PolarHBondContact O-N 3.25Å; Q1090-A1093 VanDerWaalsContact O-N 3.16Å; A1093-R1095 PolarHBondContact O-N 3Å; A1093-D1096 PolarHBondContact O-N 3.41Å
1094	N	85.5	Confident	87.6	Confident	47 Å²	47	50.7 Å²	50.7	25%	0.251	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-6.8	172.7	-70.8	-11	0	0	0	114.1	T812 M814 Q1090 L1092 R1097	T812-N1094 PolarHBondContact O-ND2 3.31Å; M814-N1094 HydrophobicContact SD-CB 3.89Å; Q1090-N1094 PolarHBondContact O-N 3.06Å; L1092-N1094 VanDerWaalsContact C-N 3.33Å; N1094-R1097 WeakPolarHBondContact O-CD 3.48Å; N1094-R1097 PolarHBondContact O-NE 3.13Å
1095	R	86.6	Confident	87.8	Confident	22 Å²	22	50.3 Å²	50.3	8%	0.083	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-17.3	175.8	-52.8	-176.6	57	-133.7	-7.8	113.8	Y809 S867 L1092 A1093 R1097	Y809-R1095 PolarHBondContact OH-NH1 3.16Å; S867-R1095 VanDerWaalsContact O-CZ 3.26Å; S867-R1095 PolarHBondContact O-NE 3.45Å; S867-R1095 PolarHBondContact O-NH2 3.28Å; L1092-R1095 VanDerWaalsContact O-CB 3.27Å; L1092-R1095 WeakPolarHBondContact O-CB 3.26Å; L1092-R1095 VanDerWaalsContact O-CG 3.31Å; L1092-R1095 WeakPolarHBondContact O-CG 3.34Å; L1092-R1095 PolarHBondContact O-N 2.72Å; A1093-R1095 PolarHBondContact O-N 3Å; R1095-R1097 PolarHBondContact O-N 3.02Å
1096	D	84.6	Confident	87.7	Confident	67 Å²	67	54.9 Å²	54.9	36%	0.358	30%	0.299	S	S	.	.			trans	-75.4	76	178.8	-172.7	22.3	0	0	0	110.3	H651 A1093	H651-D1096 IonicContact CE1-OD2 2.63Å; A1093-D1096 PolarHBondContact O-N 3.41Å
1097	R	88.4	Confident	87.3	Confident	51 Å²	51	53.5 Å²	53.5	19%	0.192	30%	0.301	C	S	.	.			trans	-139.5	139.6	-176	-63.7	-177.8	-67.9	117.7	-11.6	108.7	M814 S867 N868 G1066 N1094 R1095	M814-R1097 VanDerWaalsContact CE-CZ 3.44Å; M814-R1097 PolarHBondContact O-NH2 3.31Å; M814-R1097 VanDerWaalsContact O-NH2 3.15Å; S867-R1097 PolarHBondContact OG-NH2 2.79Å; N868-R1097 WeakPolarHBondContact CB-O 3.46Å; G1066-R1097 PolarHBondContact O-NH1 2.81Å; G1066-R1097 PolarHBondContact O-NH2 2.6Å; N1094-R1097 WeakPolarHBondContact O-CD 3.48Å; N1094-R1097 PolarHBondContact O-NE 3.13Å; R1095-R1097 PolarHBondContact O-N 3.02Å
1098	C	88.9	Confident	87.1	Confident	16 Å²	16	53.9 Å²	53.9	11%	0.108	31%	0.312	C	S	.	.			trans	-57.6	153.1	175.4	-87.6	0	0	0	0	112.5	N647 N868 L1175 M1176 Q1177	N647-C1098 PolarHBondContact ND2-SG 3.1Å; N647-C1098 VanDerWaalsContact ND2-SG 3.4Å; N647-C1098 PolarHBondContact O-SG 2.7Å; N868-C1098 PolarHBondContact ND2-O 2.96Å; C1098-L1175 HydrophobicContact CB-CB 4.18Å; C1098-L1175 HydrophobicContact CB-CD2 4.48Å; C1098-M1176 CarbonylContact C-O 3.52Å; C1098-M1176 WeakPolarHBondContact CA-O 3.43Å; C1098-M1176 PolarHBondContact SG-O 2.86Å; C1098-Q1177 VanDerWaalsContact SG-CD 3.52Å; C1098-Q1177 PolarHBondContact SG-OE1 3.34Å; C1098-Q1177 VanDerWaalsContact SG-OE1 3.38Å
1099	R	88.7	Confident	87	Confident	38 Å²	38	54.1 Å²	54.1	14%	0.143	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.1	171.2	68.2	-166	-166.9	176.1	9.3	109.7	N868 F869 E873 L1175 M1176	N868-R1099 WeakPolarHBondContact O-CD 3.35Å; N868-R1099 PolarHBondContact O-NH1 3.49Å; F869-R1099 HydrophobicContact CE1-CB 4.45Å; F869-R1099 HydrophobicContact CE2-CB 4.49Å; F869-R1099 HydrophobicContact CZ-CB 4.05Å; E873-R1099 IonicContact OE1-CZ 3.14Å; E873-R1099 VanDerWaalsContact OE1-CZ 3.29Å; E873-R1099 IonicContact OE1-NH1 2.76Å; E873-R1099 PolarHBondContact OE1-NH1 2.9Å; E873-R1099 IonicContact OE1-NH2 2.71Å; E873-R1099 PolarHBondContact OE1-NH2 3.41Å; E873-R1099 IonicContact OE2-CZ 2.87Å; E873-R1099 IonicContact OE2-NH1 2.73Å; E873-R1099 PolarHBondContact OE2-NH1 3.23Å; E873-R1099 IonicContact OE2-NH2 2.66Å; R1099-L1175 WeakPolarHBondContact O-CA 3.42Å; R1099-M1176 HydrophobicContact CG-CB 4.05Å; R1099-M1176 PolarHBondContact N-O 3.4Å; R1099-M1176 PolarHBondContact O-N 3.44Å
1100	V	92.4	Very high	87.1	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.1	173.4	-172.7	0	0	0	0	109.1	A565 L568 L1063 F1135 L1175	A565-V1100 HydrophobicContact CB-CG1 3.91Å; L568-V1100 HydrophobicContact CD1-CG1 3.91Å; L568-V1100 HydrophobicContact CD2-CB 4.32Å; L568-V1100 HydrophobicContact CD2-CG1 3.85Å; L568-V1100 HydrophobicContact CD2-CG2 4.07Å; L568-V1100 HydrophobicContact CG-CG1 4.47Å; L1063-V1100 HydrophobicContact CD1-CG2 3.82Å; V1100-F1135 HydrophobicContact CG1-CZ 4.04Å; V1100-L1175 HydrophobicContact CG2-CD2 3.91Å
1101	A	91.8	Very high	87.3	Confident	16 Å²	16	43.4 Å²	43.4	13%	0.132	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.9	174.2	0	0	0	0	0	111.3	C1174 M1176	A1101-C1174 PolarHBondContact N-O 2.8Å; A1101-C1174 PolarHBondContact O-N 3.01Å; A1101-C1174 PolarHBondContact O-SG 3.47Å; A1101-M1176 HydrophobicContact CB-CG 3.96Å; A1101-M1176 HydrophobicContact CB-SD 3.49Å; A1101-M1176 WeakPolarHBondContact CB-SD 3.19Å
1102	Q	92.8	Very high	87.4	Confident	48 Å²	48	48.2 Å²	48.2	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.5	167.3	-81.8	166.1	-27.3	0	0	110.6	A565 Q566 I1172 F1173	A565-Q1102 HydrophobicContact CB-CG 3.88Å; Q566-Q1102 PolarHBondContact O-NE2 3Å; Q1102-I1172 WeakPolarHBondContact CA-O 3.45Å; Q1102-F1173 HydrophobicContact CG-CD1 4.06Å; Q1102-F1173 HydrophobicContact CG-CE1 4.24Å
1103	L	91.6	Very high	87.5	Confident	36 Å²	36	46.5 Å²	46.5	19%	0.188	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.2	172.3	-61	173.6	0	0	0	109.3	F1110 M1132 L1171 I1172 C1174	L1103-F1110 HydrophobicContact CD1-CE2 4.1Å; L1103-M1132 HydrophobicContact CD1-SD 4.01Å; L1103-L1171 CarbonylContact O-C 3.53Å; L1103-L1171 WeakPolarHBondContact O-CA 3.14Å; L1103-I1172 PolarHBondContact N-O 2.97Å; L1103-I1172 PolarHBondContact O-N 3.39Å; L1103-C1174 HydrophobicContact CD1-CB 4.28Å
1104	A	92.5	Very high	87.3	Confident	44 Å²	44	43.6 Å²	43.6	36%	0.364	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.3	169.5	0	0	0	0	0	110.7	L1171	A1104-L1171 HydrophobicContact CB-CD2 3.81Å
1105	L	89.6	Confident	87.1	Confident	2 Å²	2	48 Å²	48	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-84.6	-21.5	172.4	-65.1	-174.3	0	0	0	113.3	D1107 F1110 A1111 L1122 L1166 P1168 D1170 I1172	L1105-D1107 VanDerWaalsContact C-N 3.31Å; L1105-D1107 PolarHBondContact O-N 3.43Å; L1105-F1110 HydrophobicContact CD2-CB 4.01Å; L1105-A1111 WeakPolarHBondContact O-CA 3.46Å; L1105-A1111 VanDerWaalsContact O-CB 3.29Å; L1105-A1111 WeakPolarHBondContact O-CB 3.37Å; L1105-L1122 HydrophobicContact CD2-CD1 4.31Å; L1105-L1122 HydrophobicContact CD2-CD2 4.08Å; L1105-L1166 HydrophobicContact CD1-CB 4.13Å; L1105-L1166 HydrophobicContact CD1-CD1 4.07Å; L1105-L1166 HydrophobicContact CD1-CD2 4.24Å; L1105-L1166 HydrophobicContact CD1-CG 4.38Å; L1105-P1168 CarbonylContact C-O 3.17Å; L1105-P1168 WeakPolarHBondContact CB-O 3.28Å; L1105-D1170 HydrophobicContact CD1-CB 4.22Å; L1105-D1170 PolarHBondContact N-O 3.39Å; L1105-I1172 HydrophobicContact CD1-CD1 4.14Å; L1105-I1172 HydrophobicContact CD1-CG1 4.22Å; L1105-I1172 HydrophobicContact CD2-CG1 3.94Å; L1105-I1172 HydrophobicContact CG-CD1 4.41Å; L1105-I1172 HydrophobicContact CG-CG1 3.95Å
1106	L	84.3	Confident	86.8	Confident	106 Å²	106	49 Å²	49	56%	0.555	29%	0.293	S	S	*	.	S	Bend	trans	-56.3	-40.7	178.4	-66.3	174.4	0	0	0	113.5	P1168 T1169	L1106-P1168 HydrophobicContact CD2-CB 4.31Å; L1106-P1168 VanDerWaalsContact CD2-O 3.28Å; L1106-P1168 WeakPolarHBondContact CD2-O 3.43Å; L1106-P1168 VanDerWaalsContact CG-O 3.29Å; L1106-P1168 WeakPolarHBondContact CG-O 3.5Å; L1106-P1168 PolarHBondContact N-O 3.03Å; L1106-P1168 VanDerWaalsContact N-O 3.11Å; L1106-T1169 HydrophobicContact CD2-CG2 4.35Å
1107	D	77.5	Confident	87.1	Confident	110 Å²	110	46.5 Å²	46.5	59%	0.588	28%	0.283	S	S	*	.	S	Bend	trans	-129.6	127.7	-172.8	-75.3	-58.5	0	0	0	111.1	L1105	L1105-D1107 VanDerWaalsContact C-N 3.31Å; L1105-D1107 PolarHBondContact O-N 3.43Å
1108	G	82.1	Confident	87.4	Confident	52 Å²	52	45.7 Å²	45.7	54%	0.536	29%	0.285	S	S	.	.	S	Bend	trans	124.7	-161.4	168.3	0	0	0	0	0	115.1	F1110 A1111	G1108-F1110 PolarHBondContact O-N 3.24Å; G1108-A1111 PolarHBondContact O-N 2.97Å
1109	P	84	Confident	87.7	Confident	69 Å²	69	45 Å²	45	45%	0.448	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3.5	-170	32.6	-37.3	0	0	0	114.6	K1125 Y1130	P1109-K1125 VanDerWaalsContact O-CE 3.29Å; P1109-K1125 WeakPolarHBondContact O-CE 3.26Å; P1109-K1125 PolarHBondContact O-NZ 2.84Å; P1109-Y1130 HydrophobicContact CB-CE2 4.45Å; P1109-Y1130 WeakPolarHBondContact CB-OH 3.4Å; P1109-Y1130 HydrophobicContact CG-CE2 4.21Å
1110	F	89.3	Confident	87.9	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.048	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	1.7	-178.5	-53.6	-62.5	0	0	0	113.6	L1103 L1105 G1108 D1112 L1113 G1114 L1122 K1125 A1126 Y1130	L1103-F1110 HydrophobicContact CD1-CE2 4.1Å; L1105-F1110 HydrophobicContact CD2-CB 4.01Å; G1108-F1110 PolarHBondContact O-N 3.24Å; F1110-D1112 VanDerWaalsContact C-OD1 3.29Å; F1110-D1112 WeakPolarHBondContact CA-OD1 3.19Å; F1110-D1112 PolarHBondContact O-N 2.74Å; F1110-L1113 WeakPolarHBondContact O-CB 3.4Å; F1110-L1113 PolarHBondContact O-N 3.3Å; F1110-G1114 PolarHBondContact O-N 3.32Å; F1110-L1122 HydrophobicContact CB-CD1 3.75Å; F1110-L1122 HydrophobicContact CD1-CD1 3.59Å; F1110-L1122 HydrophobicContact CD2-CD1 4.36Å; F1110-L1122 HydrophobicContact CE1-CD1 4.26Å; F1110-L1122 HydrophobicContact CG-CD1 3.65Å; F1110-K1125 HydrophobicContact CD1-CD 4.06Å; F1110-K1125 HydrophobicContact CD1-CG 4.39Å; F1110-K1125 HydrophobicContact CE1-CB 4.48Å; F1110-K1125 HydrophobicContact CE1-CD 4.28Å; F1110-K1125 HydrophobicContact CE1-CG 4.11Å; F1110-A1126 HydrophobicContact CE1-CB 3.98Å; F1110-A1126 HydrophobicContact CZ-CB 3.78Å; F1110-Y1130 HydrophobicContact CE1-CD2 4.35Å; F1110-Y1130 HydrophobicContact CE1-CE2 4.16Å; F1110-Y1130 HydrophobicContact CE2-CE2 4.48Å; F1110-Y1130 AromaticContact CZ-CD2 3.68Å; F1110-Y1130 HydrophobicContact CZ-CD2 3.68Å; F1110-Y1130 AromaticContact CZ-CE2 3.69Å; F1110-Y1130 HydrophobicContact CZ-CE2 3.69Å
1111	A	87.2	Confident	88	Confident	33 Å²	33	46.4 Å²	46.4	27%	0.273	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.2	179	0	0	0	0	0	112.8	L1105 G1108 L1113 G1114	L1105-A1111 WeakPolarHBondContact O-CA 3.46Å; L1105-A1111 VanDerWaalsContact O-CB 3.29Å; L1105-A1111 WeakPolarHBondContact O-CB 3.37Å; G1108-A1111 PolarHBondContact O-N 2.97Å; A1111-L1113 PolarHBondContact O-N 2.81Å; A1111-G1114 PolarHBondContact O-N 3.32Å; A1111-G1114 VanDerWaalsContact O-N 3.07Å
1112	D	86.8	Confident	88.1	Confident	117 Å²	117	45.8 Å²	45.8	63%	0.626	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-63.9	-12.2	170.9	64.5	-34.3	0	0	0	114.7	F1110 K1125	F1110-D1112 VanDerWaalsContact C-OD1 3.29Å; F1110-D1112 WeakPolarHBondContact CA-OD1 3.19Å; F1110-D1112 PolarHBondContact O-N 2.74Å; D1112-K1125 IonicContact OD1-NZ 2.7Å; D1112-K1125 PolarHBondContact OD1-NZ 3.26Å; D1112-K1125 IonicContact OD2-NZ 3Å; D1112-K1125 PolarHBondContact OD2-NZ 3.37Å
1113	L	86.8	Confident	88.3	Confident	26 Å²	26	43.5 Å²	43.5	14%	0.136	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-108.4	-8.7	173	-71.7	161.2	0	0	0	112.9	F1110 A1111 G1117 D1121 L1122 K1125	F1110-L1113 WeakPolarHBondContact O-CB 3.4Å; F1110-L1113 PolarHBondContact O-N 3.3Å; A1111-L1113 PolarHBondContact O-N 2.81Å; L1113-G1117 WeakPolarHBondContact O-CA 3.49Å; L1113-G1117 PolarHBondContact O-N 3.29Å; L1113-D1121 HydrophobicContact CD2-CB 4Å; L1113-L1122 HydrophobicContact CD1-CB 4.19Å; L1113-L1122 HydrophobicContact CD1-CD1 4.18Å; L1113-K1125 HydrophobicContact CD1-CB 4.45Å; L1113-K1125 HydrophobicContact CD1-CD 3.56Å
1114	G	81.4	Confident	88.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-33.8	179	0	0	0	0	0	113	F1110 A1111 G1116 V1167 P1168	F1110-G1114 PolarHBondContact O-N 3.32Å; A1111-G1114 PolarHBondContact O-N 3.32Å; A1111-G1114 VanDerWaalsContact O-N 3.07Å; G1114-G1116 VanDerWaalsContact C-N 3.26Å; G1114-G1116 PolarHBondContact O-N 3.35Å; G1114-V1167 CarbonylContact O-C 3.55Å; G1114-P1168 WeakPolarHBondContact O-CD 3.31Å; G1114-P1168 VanDerWaalsContact O-N 3.15Å
1115	D	82.5	Confident	88.4	Confident	138 Å²	138	43.2 Å²	43.2	74%	0.738	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	64.7	-178.4	-68.6	-23.8	0	0	0	112.2
1116	G	80.3	Confident	88.6	Confident	43 Å²	43	43.1 Å²	43.1	44%	0.443	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	25.1	175.7	0	0	0	0	0	115	G1114 L1166	G1114-G1116 VanDerWaalsContact C-N 3.26Å; G1114-G1116 PolarHBondContact O-N 3.35Å; G1116-L1166 PolarHBondContact N-O 3.24Å
1117	G	89.8	Confident	89.1	Confident	16 Å²	16	38.2 Å²	38.2	17%	0.165	24%	0.238	C	C	.	.			trans	-78.5	162.9	173.5	0	0	0	0	0	113.3	L1113 L1166	L1113-G1117 WeakPolarHBondContact O-CA 3.49Å; L1113-G1117 PolarHBondContact O-N 3.29Å; G1117-L1166 WeakPolarHBondContact O-CB 3.1Å; G1117-L1166 WeakPolarHBondContact O-CG 3.41Å; G1117-L1166 PolarHBondContact O-N 3.47Å
1118	C	94.3	Very high	89.7	Confident	34 Å²	34	38.8 Å²	38.8	23%	0.23	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-83.5	137.2	176.4	-68.2	0	0	0	0	112.1	G1120 D1121 L1122 Y1162	C1118-G1120 PolarHBondContact O-N 3.22Å; C1118-D1121 PolarHBondContact O-N 3.45Å; C1118-D1121 VanDerWaalsContact O-N 3.1Å; C1118-L1122 PolarHBondContact O-N 2.67Å; C1118-Y1162 WeakPolarHBondContact CB-O 3.27Å
1119	Y	95.3	Very high	90.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.9	-34.7	175.4	175.9	-98.9	0	0	0	112.9	F623 D1121 L1122 F1123 C1134 F1135 G1136 I1137 P1160 F1164 L1166	F623-Y1119 HydrophobicContact CE2-CE1 4.36Å; F623-Y1119 HydrophobicContact CZ-CD1 4.02Å; F623-Y1119 AromaticContact CZ-CE1 3.81Å; F623-Y1119 HydrophobicContact CZ-CE1 3.81Å; Y1119-D1121 VanDerWaalsContact C-N 3.35Å; Y1119-D1121 PolarHBondContact O-N 2.94Å; Y1119-L1122 WeakPolarHBondContact O-CB 3.4Å; Y1119-L1122 PolarHBondContact O-N 3.34Å; Y1119-F1123 WeakPolarHBondContact O-CB 3.3Å; Y1119-F1123 PolarHBondContact O-N 2.97Å; Y1119-C1134 HydrophobicContact CE2-CB 4.27Å; Y1119-C1134 PolarHBondContact OH-O 3.09Å; Y1119-F1135 PolarHBondContact OH-N 3.47Å; Y1119-G1136 PolarHBondContact OH-N 3.34Å; Y1119-I1137 HydrophobicContact CD2-CD1 3.9Å; Y1119-I1137 HydrophobicContact CD2-CG1 4.01Å; Y1119-I1137 HydrophobicContact CE2-CD1 4.46Å; Y1119-I1137 HydrophobicContact CE2-CG1 4.11Å; Y1119-P1160 HydrophobicContact CD1-CB 4.49Å; Y1119-P1160 HydrophobicContact CD1-CG 3.79Å; Y1119-P1160 WeakPolarHBondContact CD1-O 3.33Å; Y1119-P1160 HydrophobicContact CD2-CG 3.96Å; Y1119-P1160 HydrophobicContact CE1-CG 3.81Å; Y1119-P1160 HydrophobicContact CE2-CG 3.98Å; Y1119-P1160 HydrophobicContact CG-CG 3.88Å; Y1119-F1164 PolarHBondContact N-O 2.89Å; Y1119-L1166 HydrophobicContact CD2-CD2 4.23Å
1120	G	94.1	Very high	90.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-32.5	178.3	0	0	0	0	0	115	C1118 C1124 Y1162	C1118-G1120 PolarHBondContact O-N 3.22Å; G1120-C1124 WeakPolarHBondContact O-CB 3.48Å; G1120-C1124 PolarHBondContact O-N 3.4Å; G1120-C1124 VanDerWaalsContact O-N 3.08Å; G1120-C1124 PolarHBondContact O-SG 3.27Å; G1120-Y1162 VanDerWaalsContact CA-CD2 3.5Å; G1120-Y1162 VanDerWaalsContact CA-CE2 3.43Å; G1120-Y1162 PolarHBondContact N-O 3.17Å
1121	D	94	Very high	90.6	Very high	74 Å²	74	43 Å²	43	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-73.7	-40.4	175.1	-72.6	-41.7	0	0	0	111.1	L1113 C1118 Y1119 C1124 K1125 Y1162	L1113-D1121 HydrophobicContact CD2-CB 4Å; C1118-D1121 PolarHBondContact O-N 3.45Å; C1118-D1121 VanDerWaalsContact O-N 3.1Å; Y1119-D1121 VanDerWaalsContact C-N 3.35Å; Y1119-D1121 PolarHBondContact O-N 2.94Å; D1121-C1124 PolarHBondContact O-N 2.96Å; D1121-K1125 VanDerWaalsContact O-CB 3.31Å; D1121-K1125 WeakPolarHBondContact O-CB 3.21Å; D1121-K1125 PolarHBondContact O-N 2.77Å; D1121-Y1162 PolarHBondContact OD1-OH 2.97Å
1122	L	94.5	Very high	90.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-50.6	171.2	175.1	66.1	0	0	0	111.6	L1105 F1110 L1113 C1118 Y1119 C1124 K1125 A1126 L1166 I1172	L1105-L1122 HydrophobicContact CD2-CD1 4.31Å; L1105-L1122 HydrophobicContact CD2-CD2 4.08Å; F1110-L1122 HydrophobicContact CB-CD1 3.75Å; F1110-L1122 HydrophobicContact CD1-CD1 3.59Å; F1110-L1122 HydrophobicContact CD2-CD1 4.36Å; F1110-L1122 HydrophobicContact CE1-CD1 4.26Å; F1110-L1122 HydrophobicContact CG-CD1 3.65Å; L1113-L1122 HydrophobicContact CD1-CB 4.19Å; L1113-L1122 HydrophobicContact CD1-CD1 4.18Å; C1118-L1122 PolarHBondContact O-N 2.67Å; Y1119-L1122 WeakPolarHBondContact O-CB 3.4Å; Y1119-L1122 PolarHBondContact O-N 3.34Å; L1122-C1124 VanDerWaalsContact C-N 3.32Å; L1122-C1124 PolarHBondContact O-N 3.1Å; L1122-K1125 PolarHBondContact O-N 3Å; L1122-A1126 VanDerWaalsContact O-CB 3.3Å; L1122-A1126 WeakPolarHBondContact O-CB 3.23Å; L1122-A1126 PolarHBondContact O-N 3.4Å; L1122-L1166 HydrophobicContact CB-CD1 3.96Å; L1122-L1166 HydrophobicContact CD2-CD1 3.79Å; L1122-L1166 HydrophobicContact CD2-CD2 4.46Å; L1122-L1166 HydrophobicContact CG-CD1 4.47Å; L1122-I1172 HydrophobicContact CD2-CD1 4.02Å; L1122-I1172 HydrophobicContact CD2-CG1 3.92Å; L1122-I1172 HydrophobicContact CD2-CG2 4.27Å
1123	F	95.5	Very high	91.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-49.1	176	176.6	-89.8	0	0	0	111.1	F623 L629 Y1119 K1125 L1127 L1133 C1134	F623-F1123 HydrophobicContact CB-CD1 4.16Å; F623-F1123 HydrophobicContact CB-CE1 3.53Å; F623-F1123 HydrophobicContact CB-CZ 3.95Å; F623-F1123 AromaticContact CD1-CD1 3.66Å; F623-F1123 HydrophobicContact CD1-CD1 3.66Å; F623-F1123 AromaticContact CD1-CE1 3.95Å; F623-F1123 HydrophobicContact CD1-CE1 3.95Å; F623-F1123 HydrophobicContact CD1-CG 4.13Å; F623-F1123 HydrophobicContact CD2-CE1 4.34Å; F623-F1123 HydrophobicContact CD2-CE2 4.43Å; F623-F1123 HydrophobicContact CD2-CZ 4.26Å; F623-F1123 HydrophobicContact CE1-CB 4.39Å; F623-F1123 HydrophobicContact CE1-CD1 4.23Å; F623-F1123 HydrophobicContact CE1-CG 4.27Å; F623-F1123 AromaticContact CG-CD1 3.87Å; F623-F1123 HydrophobicContact CG-CD1 3.87Å; F623-F1123 AromaticContact CG-CE1 3.67Å; F623-F1123 HydrophobicContact CG-CE1 3.67Å; F623-F1123 HydrophobicContact CG-CG 4.4Å; F623-F1123 HydrophobicContact CG-CZ 4.03Å; L629-F1123 HydrophobicContact CD1-CE2 3.6Å; L629-F1123 HydrophobicContact CD1-CZ 4.1Å; Y1119-F1123 WeakPolarHBondContact O-CB 3.3Å; Y1119-F1123 PolarHBondContact O-N 2.97Å; F1123-K1125 PolarHBondContact O-N 2.78Å; F1123-L1127 HydrophobicContact CE1-CD2 3.79Å; F1123-L1127 HydrophobicContact CZ-CD2 3.94Å; F1123-L1127 WeakPolarHBondContact O-CB 3.3Å; F1123-L1127 PolarHBondContact O-N 2.9Å; F1123-L1133 HydrophobicContact CE2-CD1 3.54Å; F1123-L1133 HydrophobicContact CE2-CG 4.21Å; F1123-L1133 HydrophobicContact CZ-CD1 3.65Å; F1123-C1134 HydrophobicContact CD2-CB 4.17Å; F1123-C1134 WeakPolarHBondContact CD2-O 3.4Å; F1123-C1134 WeakPolarHBondContact CE2-O 3.31Å
1124	C	94.5	Very high	91.6	Very high	14 Å²	14	35.9 Å²	35.9	10%	0.095	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-39.4	-179.7	-72.2	0	0	0	0	112.9	G1120 D1121 L1122 K1128	G1120-C1124 WeakPolarHBondContact O-CB 3.48Å; G1120-C1124 PolarHBondContact O-N 3.4Å; G1120-C1124 VanDerWaalsContact O-N 3.08Å; G1120-C1124 PolarHBondContact O-SG 3.27Å; D1121-C1124 PolarHBondContact O-N 2.96Å; L1122-C1124 VanDerWaalsContact C-N 3.32Å; L1122-C1124 PolarHBondContact O-N 3.1Å; C1124-K1128 VanDerWaalsContact O-CB 3.3Å; C1124-K1128 WeakPolarHBondContact O-CB 3.48Å; C1124-K1128 WeakPolarHBondContact O-CD 3.36Å; C1124-K1128 VanDerWaalsContact O-CG 3.23Å; C1124-K1128 WeakPolarHBondContact O-CG 3.14Å; C1124-K1128 PolarHBondContact O-N 3.4Å; C1124-K1128 VanDerWaalsContact O-N 3.12Å
1125	K	93.7	Very high	92.2	Very high	60 Å²	60	36.2 Å²	36.2	26%	0.261	20%	0.198	S	C	.	.	H	α-helix	trans	-69.7	-47.3	178.4	-171.8	-179.3	169.4	-171.8	0	111.5	P1109 F1110 D1112 L1113 D1121 L1122 F1123 T1129	P1109-K1125 VanDerWaalsContact O-CE 3.29Å; P1109-K1125 WeakPolarHBondContact O-CE 3.26Å; P1109-K1125 PolarHBondContact O-NZ 2.84Å; F1110-K1125 HydrophobicContact CD1-CD 4.06Å; F1110-K1125 HydrophobicContact CD1-CG 4.39Å; F1110-K1125 HydrophobicContact CE1-CB 4.48Å; F1110-K1125 HydrophobicContact CE1-CD 4.28Å; F1110-K1125 HydrophobicContact CE1-CG 4.11Å; D1112-K1125 IonicContact OD1-NZ 2.7Å; D1112-K1125 PolarHBondContact OD1-NZ 3.26Å; D1112-K1125 IonicContact OD2-NZ 3Å; D1112-K1125 PolarHBondContact OD2-NZ 3.37Å; L1113-K1125 HydrophobicContact CD1-CB 4.45Å; L1113-K1125 HydrophobicContact CD1-CD 3.56Å; D1121-K1125 VanDerWaalsContact O-CB 3.31Å; D1121-K1125 WeakPolarHBondContact O-CB 3.21Å; D1121-K1125 PolarHBondContact O-N 2.77Å; L1122-K1125 PolarHBondContact O-N 3Å; F1123-K1125 PolarHBondContact O-N 2.78Å; K1125-T1129 WeakPolarHBondContact O-CB 3.45Å; K1125-T1129 PolarHBondContact O-N 3.04Å; K1125-T1129 PolarHBondContact O-OG1 2.99Å
1126	A	93.4	Very high	92.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-44.7	178.7	0	0	0	0	0	112.3	F1110 L1122 Y1130 N1131 M1132	F1110-A1126 HydrophobicContact CE1-CB 3.98Å; F1110-A1126 HydrophobicContact CZ-CB 3.78Å; L1122-A1126 VanDerWaalsContact O-CB 3.3Å; L1122-A1126 WeakPolarHBondContact O-CB 3.23Å; L1122-A1126 PolarHBondContact O-N 3.4Å; A1126-Y1130 PolarHBondContact O-N 2.99Å; A1126-N1131 PolarHBondContact O-N 3.42Å; A1126-M1132 CarbonylContact C-O 3.59Å; A1126-M1132 HydrophobicContact CB-CB 4.27Å; A1126-M1132 PolarHBondContact O-N 2.97Å
1127	L	93.8	Very high	93.6	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-41.2	-179.3	-175.2	62	0	0	0	112.5	P616 C619 F1123 N1131 M1132 L1133	P616-L1127 HydrophobicContact CB-CD1 3.91Å; P616-L1127 HydrophobicContact CB-CG 4.06Å; P616-L1127 HydrophobicContact CG-CD1 4.45Å; C619-L1127 HydrophobicContact CB-CD2 3.7Å; F1123-L1127 HydrophobicContact CE1-CD2 3.79Å; F1123-L1127 HydrophobicContact CZ-CD2 3.94Å; F1123-L1127 WeakPolarHBondContact O-CB 3.3Å; F1123-L1127 PolarHBondContact O-N 2.9Å; L1127-N1131 VanDerWaalsContact O-CA 3.24Å; L1127-N1131 WeakPolarHBondContact O-CA 3.43Å; L1127-N1131 PolarHBondContact O-N 3.4Å; L1127-N1131 VanDerWaalsContact O-N 3.14Å; L1127-M1132 WeakPolarHBondContact CA-O 3.3Å; L1127-M1132 PolarHBondContact N-O 3.48Å; L1127-L1133 HydrophobicContact CD1-CD1 4.16Å; L1127-L1133 HydrophobicContact CD2-CD1 4.42Å
1128	K	91.6	Very high	93.9	Very high	122 Å²	122	27 Å²	27	53%	0.53	13%	0.134	S	C	.	.	H	α-helix	trans	-72	-43.7	178.8	-74.8	172	-178.6	168.5	0	113.4	E620 C1124	E620-K1128 VanDerWaalsContact CD-NZ 3.32Å; E620-K1128 WeakPolarHBondContact OE1-CE 3.18Å; E620-K1128 IonicContact OE1-NZ 3.84Å; E620-K1128 PolarHBondContact OE1-NZ 2.87Å; E620-K1128 WeakPolarHBondContact OE2-CE 3.45Å; E620-K1128 IonicContact OE2-NZ 2.66Å; C1124-K1128 VanDerWaalsContact O-CB 3.3Å; C1124-K1128 WeakPolarHBondContact O-CB 3.48Å; C1124-K1128 WeakPolarHBondContact O-CD 3.36Å; C1124-K1128 VanDerWaalsContact O-CG 3.23Å; C1124-K1128 WeakPolarHBondContact O-CG 3.14Å; C1124-K1128 PolarHBondContact O-N 3.4Å; C1124-K1128 VanDerWaalsContact O-N 3.12Å
1129	T	90.5	Very high	93.9	Very high	87 Å²	87	26.3 Å²	26.3	53%	0.534	13%	0.127	S	C	.	.	H	α-helix	trans	-84.8	-34.4	-172	-57.5	0	0	0	0	112.5	K1125	K1125-T1129 WeakPolarHBondContact O-CB 3.45Å; K1125-T1129 PolarHBondContact O-N 3.04Å; K1125-T1129 PolarHBondContact O-OG1 2.99Å
1130	Y	90	Very high	93.8	Very high	99 Å²	99	27.9 Å²	27.9	39%	0.388	14%	0.135	S	C	.	.	H	α-helix	trans	-125.7	-1.8	-171.5	-57.2	-81	0	0	0	114.5	P1109 F1110 A1126 M1132	P1109-Y1130 HydrophobicContact CB-CE2 4.45Å; P1109-Y1130 WeakPolarHBondContact CB-OH 3.4Å; P1109-Y1130 HydrophobicContact CG-CE2 4.21Å; F1110-Y1130 HydrophobicContact CE1-CD2 4.35Å; F1110-Y1130 HydrophobicContact CE1-CE2 4.16Å; F1110-Y1130 HydrophobicContact CE2-CE2 4.48Å; F1110-Y1130 AromaticContact CZ-CD2 3.68Å; F1110-Y1130 HydrophobicContact CZ-CD2 3.68Å; F1110-Y1130 AromaticContact CZ-CE2 3.69Å; F1110-Y1130 HydrophobicContact CZ-CE2 3.69Å; A1126-Y1130 PolarHBondContact O-N 2.99Å; Y1130-M1132 HydrophobicContact CD1-CE 4.47Å; Y1130-M1132 HydrophobicContact CG-CE 4.25Å; Y1130-M1132 HydrophobicContact CG-SD 4.3Å; Y1130-M1132 PolarHBondContact O-N 3.02Å
1131	N	92.2	Very high	93.6	Very high	35 Å²	35	29.4 Å²	29.4	19%	0.187	14%	0.141	C	C	.	.			trans	54.9	26.6	-169.6	-49.8	-93.9	0	0	0	113	N647 A1126 L1127 Q1177	N647-N1131 PolarHBondContact ND2-O 3.4Å; A1126-N1131 PolarHBondContact O-N 3.42Å; L1127-N1131 VanDerWaalsContact O-CA 3.24Å; L1127-N1131 WeakPolarHBondContact O-CA 3.43Å; L1127-N1131 PolarHBondContact O-N 3.4Å; L1127-N1131 VanDerWaalsContact O-N 3.14Å; N1131-Q1177 HydrophobicContact CB-CG 3.85Å; N1131-Q1177 PolarHBondContact O-NE2 3.36Å; N1131-Q1177 VanDerWaalsContact O-NE2 3.12Å
1132	M	93.1	Very high	93.3	Very high	25 Å²	25	27 Å²	27	12%	0.123	13%	0.128	C	C	.	.			trans	-85.9	121.5	175.7	-68.4	174.6	-177.2	0	0	109.2	L1103 A1126 L1127 Y1130 L1175 M1176	L1103-M1132 HydrophobicContact CD1-SD 4.01Å; A1126-M1132 CarbonylContact C-O 3.59Å; A1126-M1132 HydrophobicContact CB-CB 4.27Å; A1126-M1132 PolarHBondContact O-N 2.97Å; L1127-M1132 WeakPolarHBondContact CA-O 3.3Å; L1127-M1132 PolarHBondContact N-O 3.48Å; Y1130-M1132 HydrophobicContact CD1-CE 4.47Å; Y1130-M1132 HydrophobicContact CG-CE 4.25Å; Y1130-M1132 HydrophobicContact CG-SD 4.3Å; Y1130-M1132 PolarHBondContact O-N 3.02Å; M1132-L1175 WeakPolarHBondContact CA-O 3.49Å; M1132-M1176 HydrophobicContact CE-CE 3.53Å; M1132-M1176 HydrophobicContact CE-CG 4.27Å
1133	L	94.8	Very high	92.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.1	174.3	-169	79.9	0	0	0	109.1	C619 L629 M630 I631 N647 F1123 L1127 C1174 L1175	C619-L1133 HydrophobicContact CB-CD1 4.23Å; L629-L1133 HydrophobicContact CD1-CD1 4.39Å; L629-L1133 HydrophobicContact CD1-CD2 4.48Å; L629-L1133 HydrophobicContact CD1-CG 4.46Å; M630-L1133 WeakPolarHBondContact O-CD2 3.01Å; I631-L1133 HydrophobicContact CB-CD2 4.29Å; I631-L1133 HydrophobicContact CG1-CD2 3.92Å; N647-L1133 HydrophobicContact CB-CB 4.34Å; F1123-L1133 HydrophobicContact CE2-CD1 3.54Å; F1123-L1133 HydrophobicContact CE2-CG 4.21Å; F1123-L1133 HydrophobicContact CZ-CD1 3.65Å; L1127-L1133 HydrophobicContact CD1-CD1 4.16Å; L1127-L1133 HydrophobicContact CD2-CD1 4.42Å; L1133-C1174 CarbonylContact O-C 3.47Å; L1133-C1174 VanDerWaalsContact O-CA 3.23Å; L1133-C1174 WeakPolarHBondContact O-CA 3.38Å; L1133-L1175 HydrophobicContact CB-CB 4.32Å; L1133-L1175 HydrophobicContact CB-CD1 4.49Å; L1133-L1175 HydrophobicContact CD2-CD1 4.15Å; L1133-L1175 PolarHBondContact N-O 2.85Å; L1133-L1175 PolarHBondContact O-N 3.3Å
1134	C	95.3	Very high	91.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.8	169.3	-60.6	0	0	0	0	109.8	Y1119 F1123 I1172 F1173	Y1119-C1134 HydrophobicContact CE2-CB 4.27Å; Y1119-C1134 PolarHBondContact OH-O 3.09Å; F1123-C1134 HydrophobicContact CD2-CB 4.17Å; F1123-C1134 WeakPolarHBondContact CD2-O 3.4Å; F1123-C1134 WeakPolarHBondContact CE2-O 3.31Å; C1134-I1172 HydrophobicContact CB-CG2 4.03Å; C1134-F1173 WeakPolarHBondContact CA-O 3.28Å
1135	F	92.7	Very high	91	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-0.4	-177	61.9	-85.8	0	0	0	115.4	L568 M571 L629 I631 V1100 Y1119 N1159 F1173 L1175	L568-F1135 HydrophobicContact CD1-CE2 3.68Å; L568-F1135 HydrophobicContact CD1-CZ 3.76Å; M571-F1135 HydrophobicContact SD-CD2 3.42Å; M571-F1135 WeakPolarHBondContact SD-CD2 3.42Å; M571-F1135 HydrophobicContact SD-CE2 3.31Å; M571-F1135 WeakPolarHBondContact SD-CE2 3.29Å; L629-F1135 HydrophobicContact CD2-CB 3.82Å; I631-F1135 HydrophobicContact CD1-CB 4.32Å; V1100-F1135 HydrophobicContact CG1-CZ 4.04Å; Y1119-F1135 PolarHBondContact OH-N 3.47Å; F1135-N1159 PolarHBondContact O-N 2.71Å; F1135-N1159 VanDerWaalsContact O-N 3.1Å; F1135-F1173 HydrophobicContact CD1-CB 4.43Å; F1135-F1173 HydrophobicContact CD2-CB 4.31Å; F1135-F1173 HydrophobicContact CE1-CB 4.14Å; F1135-F1173 HydrophobicContact CE2-CB 4.03Å; F1135-F1173 HydrophobicContact CZ-CB 3.94Å; F1135-F1173 PolarHBondContact N-O 3.43Å; F1135-L1175 HydrophobicContact CD1-CG 4.13Å; F1135-L1175 HydrophobicContact CE1-CD2 4.17Å; F1135-L1175 HydrophobicContact CE1-CG 3.8Å
1136	G	95.6	Very high	89.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	179.4	170.3	0	0	0	0	0	113.6	Y1119 I1157 F1173	Y1119-G1136 PolarHBondContact OH-N 3.34Å; G1136-I1157 CarbonylContact C-O 3.47Å; G1136-I1157 WeakPolarHBondContact CA-O 3.32Å; G1136-F1173 PolarHBondContact O-N 2.85Å
1137	I	96.3	Very high	89	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.8	-177.2	-56.2	169.7	0	0	0	109.2	Y1119 R1139 I1157 P1160 F1164 L1166 D1170 I1172	Y1119-I1137 HydrophobicContact CD2-CD1 3.9Å; Y1119-I1137 HydrophobicContact CD2-CG1 4.01Å; Y1119-I1137 HydrophobicContact CE2-CD1 4.46Å; Y1119-I1137 HydrophobicContact CE2-CG1 4.11Å; I1137-R1139 HydrophobicContact CG2-CB 4.08Å; I1137-I1157 HydrophobicContact CB-CB 4.31Å; I1137-I1157 PolarHBondContact N-O 3.1Å; I1137-I1157 PolarHBondContact O-N 2.95Å; I1137-P1160 HydrophobicContact CD1-CB 4.33Å; I1137-P1160 HydrophobicContact CD1-CG 3.73Å; I1137-P1160 HydrophobicContact CG1-CG 3.99Å; I1137-F1164 HydrophobicContact CD1-CD1 3.58Å; I1137-F1164 HydrophobicContact CD1-CE1 3.6Å; I1137-L1166 HydrophobicContact CD1-CD2 3.87Å; I1137-D1170 HydrophobicContact CG2-CB 3.92Å; I1137-I1172 HydrophobicContact CB-CD1 4.4Å; I1137-I1172 HydrophobicContact CG1-CD1 3.82Å; I1137-I1172 HydrophobicContact CG2-CD1 4.21Å
1138	Y	96.7	Very high	88.1	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	84.4	172.3	-166.3	-133.6	0	0	0	108.7	Q566 C1034 R1154 Y1155 V1156 L1171 F1173	Q566-Y1138 HydrophobicContact CB-CE1 3.96Å; Q566-Y1138 HydrophobicContact CG-CE1 4.08Å; Q566-Y1138 WeakPolarHBondContact CG-OH 3.32Å; Q566-Y1138 PolarHBondContact NE2-OH 3.43Å; C1034-Y1138 PolarHBondContact O-OH 2.74Å; Y1138-R1154 HydrophobicContact CD1-CB 3.74Å; Y1138-R1154 HydrophobicContact CD1-CG 4.28Å; Y1138-R1154 HydrophobicContact CD2-CB 3.83Å; Y1138-R1154 HydrophobicContact CE1-CB 3.55Å; Y1138-R1154 HydrophobicContact CE1-CG 4.24Å; Y1138-R1154 HydrophobicContact CE2-CB 3.65Å; Y1138-R1154 WeakPolarHBondContact CE2-O 3.36Å; Y1138-R1154 HydrophobicContact CG-CB 3.85Å; Y1138-R1154 VanDerWaalsContact CZ-CB 3.49Å; Y1138-R1154 PolarHBondContact O-NH1 3.05Å; Y1138-R1154 PolarHBondContact OH-O 3.15Å; Y1138-Y1155 CarbonylContact C-O 3.54Å; Y1138-Y1155 WeakPolarHBondContact CA-O 3.47Å; Y1138-Y1155 WeakPolarHBondContact CD2-O 3.38Å; Y1138-V1156 HydrophobicContact CD2-CG2 3.97Å; Y1138-V1156 HydrophobicContact CE2-CG2 4.12Å; Y1138-L1171 HydrophobicContact CD1-CB 4.49Å; Y1138-L1171 HydrophobicContact CD1-CD1 4.11Å; Y1138-L1171 PolarHBondContact N-O 3.11Å; Y1138-L1171 PolarHBondContact O-N 3.25Å; Y1138-F1173 HydrophobicContact CD2-CE2 4.26Å; Y1138-F1173 HydrophobicContact CD2-CZ 4.17Å; Y1138-F1173 HydrophobicContact CG-CE2 4.16Å; Y1138-F1173 HydrophobicContact CG-CZ 4.11Å
1139	R	95	Very high	87.4	Confident	19 Å²	19	45.1 Å²	45.1	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141	-167.1	173.9	160.5	-71.9	176.6	3.2	111.1	I1137 R1141 A1143 R1154 Y1155 I1157 F1164 E1165 D1170	I1137-R1139 HydrophobicContact CG2-CB 4.08Å; R1139-R1141 PolarHBondContact O-N 3.2Å; R1139-A1143 HydrophobicContact CG-CB 4.03Å; R1139-R1154 CarbonylContact O-C 3.56Å; R1139-R1154 WeakPolarHBondContact O-CA 3.47Å; R1139-R1154 WeakPolarHBondContact O-CB 3.47Å; R1139-Y1155 HydrophobicContact CB-CE1 4.1Å; R1139-Y1155 HydrophobicContact CG-CE1 3.98Å; R1139-Y1155 PolarHBondContact N-O 3.24Å; R1139-Y1155 VanDerWaalsContact O-CD1 3.27Å; R1139-Y1155 WeakPolarHBondContact O-CD1 3.4Å; R1139-Y1155 PolarHBondContact O-N 3.36Å; R1139-I1157 HydrophobicContact CB-CD1 4.18Å; R1139-F1164 VanDerWaalsContact NH1-CE1 3.32Å; R1139-E1165 PolarHBondContact NH2-O 3.35Å; R1139-D1170 WeakPolarHBondContact CA-OD1 3.26Å; R1139-D1170 WeakPolarHBondContact CB-OD1 3.37Å; R1139-D1170 WeakPolarHBondContact CG-OD1 3.46Å; R1139-D1170 IonicContact CZ-OD2 3.9Å; R1139-D1170 IonicContact NE-OD1 3.84Å; R1139-D1170 PolarHBondContact NE-OD1 3.11Å; R1139-D1170 IonicContact NE-OD2 2.74Å; R1139-D1170 PolarHBondContact NE-OD2 3.3Å; R1139-D1170 IonicContact NH2-OD2 2.76Å; R1139-D1170 PolarHBondContact NH2-OD2 2.88Å
1140	L	93.2	Very high	86.9	Confident	34 Å²	34	49.4 Å²	49.4	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.6	173.2	-75.4	165.8	0	0	0	110.1	D1142 A1143 T1152 K1153 R1154 T1169	L1140-D1142 VanDerWaalsContact C-N 3.28Å; L1140-D1142 PolarHBondContact O-N 2.77Å; L1140-A1143 HydrophobicContact CB-CB 4.1Å; L1140-A1143 WeakPolarHBondContact O-CB 3.28Å; L1140-A1143 PolarHBondContact O-N 2.75Å; L1140-A1143 VanDerWaalsContact O-N 3.11Å; L1140-T1152 VanDerWaalsContact CD2-O 3.32Å; L1140-T1152 WeakPolarHBondContact CD2-O 3.36Å; L1140-K1153 WeakPolarHBondContact CA-O 3.21Å; L1140-R1154 HydrophobicContact CD2-CG 3.72Å; L1140-R1154 HydrophobicContact CG-CG 4.08Å; L1140-T1169 HydrophobicContact CD1-CG2 4.33Å
1141	R	89.7	Confident	86.6	Confident	32 Å²	32	46.1 Å²	46.1	12%	0.121	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-50.3	-51.1	-178.5	-171.1	-169	68.6	-166.2	-5.6	111.2	W589 D1017 R1139 A1143 H1144 C1151 K1153 Y1155	W589-R1141 HydrophobicContact CB-CG 4.01Å; W589-R1141 HydrophobicContact CD2-CG 4.46Å; W589-R1141 HydrophobicContact CG-CG 3.75Å; D1017-R1141 PolarHBondContact O-NH1 3.2Å; D1017-R1141 IonicContact OD2-CZ 3.9Å; D1017-R1141 IonicContact OD2-NH1 3.67Å; D1017-R1141 PolarHBondContact OD2-NH1 3.45Å; D1017-R1141 IonicContact OD2-NH2 2.66Å; R1139-R1141 PolarHBondContact O-N 3.2Å; R1141-A1143 VanDerWaalsContact C-N 3.28Å; R1141-A1143 PolarHBondContact O-N 2.72Å; R1141-H1144 PolarHBondContact O-CE1 3.14Å; R1141-H1144 PolarHBondContact O-ND1 2.84Å; R1141-C1151 PolarHBondContact NH2-SG 2.93Å; R1141-K1153 PolarHBondContact N-O 3.16Å; R1141-Y1155 HydrophobicContact CB-CD1 4.43Å
1142	D	86.6	Confident	86.4	Confident	22 Å²	22	47.8 Å²	47.8	12%	0.118	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-85.1	7.3	-172.2	-59.4	-4.7	0	0	0	113.1	L1140 H1144 L1145 S1149 C1151	L1140-D1142 VanDerWaalsContact C-N 3.28Å; L1140-D1142 PolarHBondContact O-N 2.77Å; D1142-H1144 PolarHBondContact O-N 3.34Å; D1142-L1145 HydrophobicContact CB-CD1 4.05Å; D1142-L1145 WeakPolarHBondContact O-CB 3.35Å; D1142-L1145 PolarHBondContact O-N 3.24Å; D1142-S1149 WeakPolarHBondContact OD2-CB 3.21Å; D1142-S1149 PolarHBondContact OD2-OG 2.93Å; D1142-C1151 WeakPolarHBondContact OD2-CB 3.35Å
1143	A	81.3	Confident	86.4	Confident	36 Å²	36	48.2 Å²	48.2	30%	0.298	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-64.5	-20.3	-175.7	0	0	0	0	0	115.1	R1139 L1140 R1141	R1139-A1143 HydrophobicContact CG-CB 4.03Å; L1140-A1143 HydrophobicContact CB-CB 4.1Å; L1140-A1143 WeakPolarHBondContact O-CB 3.28Å; L1140-A1143 PolarHBondContact O-N 2.75Å; L1140-A1143 VanDerWaalsContact O-N 3.11Å; R1141-A1143 VanDerWaalsContact C-N 3.28Å; R1141-A1143 PolarHBondContact O-N 2.72Å
1144	H	76.9	Confident	86.3	Confident	56 Å²	56	50.2 Å²	50.2	26%	0.259	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-85.3	-11.1	176.6	63.3	-78.2	0	0	0	112.5	D587 R1141 D1142	D587-H1144 PolarHBondContact O-CD2 3.37Å; D587-H1144 PolarHBondContact O-NE2 3.16Å; R1141-H1144 PolarHBondContact O-CE1 3.14Å; R1141-H1144 PolarHBondContact O-ND1 2.84Å; D1142-H1144 PolarHBondContact O-N 3.34Å
1145	L	78.3	Confident	86.4	Confident	82 Å²	82	50.2 Å²	50.2	43%	0.429	29%	0.286	S	S	.	.	S	Bend	trans	-86.3	137.6	-177.5	-58.2	178.9	0	0	0	111.3	D1142 T1147	D1142-L1145 HydrophobicContact CB-CD1 4.05Å; D1142-L1145 WeakPolarHBondContact O-CB 3.35Å; D1142-L1145 PolarHBondContact O-N 3.24Å; L1145-T1147 PolarHBondContact O-N 3.49Å
1146	S	71.8	Confident	86.6	Confident	125 Å²	125	49.9 Å²	49.9	87%	0.874	28%	0.284	S	S	*	.	S	Bend	trans	-70.9	-11.6	178.6	59.8	0	0	0	0	114.5
1147	T	73.8	Confident	86.6	Confident	96 Å²	96	49.9 Å²	49.9	59%	0.589	28%	0.284	S	S	*	.	S	Bend	trans	-103.2	121.8	177.4	48.2	0	0	0	0	110.7	L1145 S1149	L1145-T1147 PolarHBondContact O-N 3.49Å; T1147-S1149 PolarHBondContact O-N 2.88Å
1148	P	74.1	Confident	86.6	Confident	129 Å²	129	50 Å²	50	84%	0.838	29%	0.285	S	S	*	.			trans	-68.9	105.8	-177.3	27.2	-34.2	0	0	0	111.9
1149	S	78.9	Confident	86.5	Confident	58 Å²	58	51 Å²	51	41%	0.406	29%	0.29	S	S	.	.			trans	-75.4	162.1	173.2	-176.9	0	0	0	0	112.1	D1142 T1147 C1151	D1142-S1149 WeakPolarHBondContact OD2-CB 3.21Å; D1142-S1149 PolarHBondContact OD2-OG 2.93Å; T1147-S1149 PolarHBondContact O-N 2.88Å; S1149-C1151 WeakPolarHBondContact OG-CB 3.38Å; S1149-C1151 PolarHBondContact OG-N 2.91Å; S1149-C1151 VanDerWaalsContact OG-N 3.07Å
1150	Q	79.2	Confident	86.6	Confident	177 Å²	177	50.1 Å²	50.1	83%	0.827	29%	0.288	S	S	*	.			trans	-96.7	2.1	168.2	-64.6	-63.1	-66.3	0	0	112.5	T1152	Q1150-T1152 PolarHBondContact O-N 2.89Å
1151	C	84.3	Confident	86.6	Confident	30 Å²	30	51 Å²	51	20%	0.203	30%	0.295	C	S	.	.			trans	-68.4	118.9	179	-168.7	0	0	0	0	110.9	R1141 D1142 S1149	R1141-C1151 PolarHBondContact NH2-SG 2.93Å; D1142-C1151 WeakPolarHBondContact OD2-CB 3.35Å; S1149-C1151 WeakPolarHBondContact OG-CB 3.38Å; S1149-C1151 PolarHBondContact OG-N 2.91Å; S1149-C1151 VanDerWaalsContact OG-N 3.07Å
1152	T	87.7	Confident	86.7	Confident	70 Å²	70	52.1 Å²	52.1	43%	0.429	30%	0.3	S	S	.	.			trans	-89.6	-5.1	178.9	56.9	0	0	0	0	113.3	N998 L1140 Q1150	N998-T1152 VanDerWaalsContact OD1-CG2 3.22Å; N998-T1152 WeakPolarHBondContact OD1-CG2 3.41Å; N998-T1152 PolarHBondContact OD1-OG1 2.97Å; L1140-T1152 VanDerWaalsContact CD2-O 3.32Å; L1140-T1152 WeakPolarHBondContact CD2-O 3.36Å; Q1150-T1152 PolarHBondContact O-N 2.89Å
1153	K	91.6	Very high	87.1	Confident	34 Å²	34	57.6 Å²	57.6	15%	0.148	33%	0.325	C	S	.	.			trans	-60.8	139.5	-179.5	-63.7	-178.3	-173.9	176.9	0	111.1	D1015 D1017 Q1030 L1140 R1141	D1015-K1153 IonicContact OD1-NZ 2.78Å; D1015-K1153 PolarHBondContact OD1-NZ 2.88Å; D1015-K1153 WeakPolarHBondContact OD2-CE 3.49Å; D1015-K1153 IonicContact OD2-NZ 2.65Å; D1015-K1153 PolarHBondContact OD2-NZ 3.32Å; D1017-K1153 IonicContact OD1-NZ 3.64Å; D1017-K1153 PolarHBondContact OD1-NZ 2.96Å; D1017-K1153 IonicContact OD2-NZ 2.74Å; D1017-K1153 PolarHBondContact OD2-NZ 3.02Å; Q1030-K1153 VanDerWaalsContact NE2-NZ 3.1Å; L1140-K1153 WeakPolarHBondContact CA-O 3.21Å; R1141-K1153 PolarHBondContact N-O 3.16Å
1154	R	94.6	Very high	87.7	Confident	42 Å²	42	56.6 Å²	56.6	16%	0.158	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.7	-179.8	-67.9	170.7	178.4	-88.6	-2.3	110.1	C1034 Y1138 R1139 L1140 T1169	C1034-R1154 WeakPolarHBondContact CA-O 3.32Å; C1034-R1154 VanDerWaalsContact CB-O 3.26Å; C1034-R1154 WeakPolarHBondContact CB-O 3.27Å; C1034-R1154 PolarHBondContact SG-O 2.94Å; Y1138-R1154 HydrophobicContact CD1-CB 3.74Å; Y1138-R1154 HydrophobicContact CD1-CG 4.28Å; Y1138-R1154 HydrophobicContact CD2-CB 3.83Å; Y1138-R1154 HydrophobicContact CE1-CB 3.55Å; Y1138-R1154 HydrophobicContact CE1-CG 4.24Å; Y1138-R1154 HydrophobicContact CE2-CB 3.65Å; Y1138-R1154 WeakPolarHBondContact CE2-O 3.36Å; Y1138-R1154 HydrophobicContact CG-CB 3.85Å; Y1138-R1154 VanDerWaalsContact CZ-CB 3.49Å; Y1138-R1154 PolarHBondContact O-NH1 3.05Å; Y1138-R1154 PolarHBondContact OH-O 3.15Å; R1139-R1154 CarbonylContact O-C 3.56Å; R1139-R1154 WeakPolarHBondContact O-CA 3.47Å; R1139-R1154 WeakPolarHBondContact O-CB 3.47Å; L1140-R1154 HydrophobicContact CD2-CG 3.72Å; L1140-R1154 HydrophobicContact CG-CG 4.08Å; R1154-T1169 VanDerWaalsContact CZ-O 3.26Å; R1154-T1169 PolarHBondContact NH1-O 3.48Å; R1154-T1169 PolarHBondContact NH2-O 3.39Å
1155	Y	95.8	Very high	88.5	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	159.7	175.7	68.4	-81.4	0	0	0	111.2	W589 Y592 A1033 Y1138 R1139 R1141 I1157	W589-Y1155 HydrophobicContact CB-CD1 4Å; W589-Y1155 HydrophobicContact CB-CE1 3.73Å; W589-Y1155 HydrophobicContact CB-CE2 4.5Å; W589-Y1155 HydrophobicContact CB-CG 4.49Å; W589-Y1155 HydrophobicContact CE3-CD2 4.46Å; W589-Y1155 HydrophobicContact CE3-CG 4.29Å; W589-Y1155 WeakPolarHBondContact O-CE2 3.07Å; Y592-Y1155 WeakPolarHBondContact CB-OH 3.46Å; A1033-Y1155 WeakPolarHBondContact O-CA 3.38Å; Y1138-Y1155 CarbonylContact C-O 3.54Å; Y1138-Y1155 WeakPolarHBondContact CA-O 3.47Å; Y1138-Y1155 WeakPolarHBondContact CD2-O 3.38Å; R1139-Y1155 HydrophobicContact CB-CE1 4.1Å; R1139-Y1155 HydrophobicContact CG-CE1 3.98Å; R1139-Y1155 PolarHBondContact N-O 3.24Å; R1139-Y1155 VanDerWaalsContact O-CD1 3.27Å; R1139-Y1155 WeakPolarHBondContact O-CD1 3.4Å; R1139-Y1155 PolarHBondContact O-N 3.36Å; R1141-Y1155 HydrophobicContact CB-CD1 4.43Å; Y1155-I1157 HydrophobicContact CD2-CG1 4.05Å; Y1155-I1157 HydrophobicContact CE2-CD1 3.72Å; Y1155-I1157 HydrophobicContact CE2-CG1 3.61Å
1156	V	97	Very high	89.2	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137	-174.5	173.3	0	0	0	0	111.9	G567 T570 M571 Y593 A1033 Y1138 F1173	G567-V1156 WeakPolarHBondContact O-CG2 3.34Å; T570-V1156 HydrophobicContact CG2-CB 4.43Å; T570-V1156 HydrophobicContact CG2-CG2 4.26Å; M571-V1156 HydrophobicContact CB-CG1 3.84Å; M571-V1156 HydrophobicContact CE-CG1 3.6Å; Y593-V1156 VanDerWaalsContact CD2-O 3.29Å; Y593-V1156 WeakPolarHBondContact CD2-O 3.26Å; A1033-V1156 PolarHBondContact O-N 3.27Å; Y1138-V1156 HydrophobicContact CD2-CG2 3.97Å; Y1138-V1156 HydrophobicContact CE2-CG2 4.12Å; V1156-F1173 HydrophobicContact CG2-CE2 4.47Å; V1156-F1173 HydrophobicContact CG2-CZ 4.43Å
1157	I	96.7	Very high	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	107.7	168.1	-51.8	176	0	0	0	108.5	G1136 I1137 R1139 Y1155 P1160 F1164	G1136-I1157 CarbonylContact C-O 3.47Å; G1136-I1157 WeakPolarHBondContact CA-O 3.32Å; I1137-I1157 HydrophobicContact CB-CB 4.31Å; I1137-I1157 PolarHBondContact N-O 3.1Å; I1137-I1157 PolarHBondContact O-N 2.95Å; R1139-I1157 HydrophobicContact CB-CD1 4.18Å; Y1155-I1157 HydrophobicContact CD2-CG1 4.05Å; Y1155-I1157 HydrophobicContact CE2-CD1 3.72Å; Y1155-I1157 HydrophobicContact CE2-CG1 3.61Å; I1157-P1160 HydrophobicContact CG2-CB 4.07Å; I1157-P1160 HydrophobicContact CG2-CG 4.43Å; I1157-F1164 HydrophobicContact CD1-CE1 4.18Å; I1157-F1164 HydrophobicContact CD1-CZ 3.75Å
1158	T	95.9	Very high	90.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.9	175.8	16.1	0	0	0	0	111.6	M571 L575 G596	M571-T1158 HydrophobicContact CB-CG2 4.4Å; M571-T1158 HydrophobicContact CE-CG2 3.87Å; M571-T1158 HydrophobicContact CG-CG2 3.53Å; M571-T1158 HydrophobicContact SD-CG2 4.05Å; L575-T1158 HydrophobicContact CD2-CG2 4.01Å; L575-T1158 HydrophobicContact CG-CG2 4.37Å; G596-T1158 WeakPolarHBondContact CA-O 3.42Å; G596-T1158 WeakPolarHBondContact CA-OG1 3.45Å; G596-T1158 PolarHBondContact O-OG1 2.97Å
1159	N	95.4	Very high	91.6	Very high	24 Å²	24	46 Å²	46	13%	0.128	24%	0.24	C	C	.	.	S	Bend	trans	42.9	54	170.3	-172.2	42.8	0	0	0	115.8	N599 L629 I663 F1135	N599-N1159 PolarHBondContact OD1-ND2 3.25Å; L629-N1159 VanDerWaalsContact CB-OD1 3.25Å; L629-N1159 WeakPolarHBondContact CB-OD1 3.44Å; L629-N1159 HydrophobicContact CD2-CB 4.04Å; L629-N1159 WeakPolarHBondContact CD2-OD1 3.31Å; I663-N1159 HydrophobicContact CG2-CB 3.75Å; F1135-N1159 PolarHBondContact O-N 2.71Å; F1135-N1159 VanDerWaalsContact O-N 3.1Å
1160	P	95.3	Very high	92.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.013	22%	0.221	C	C	.	.			trans	-63.9	151.7	179.9	25.2	-32	0	0	0	112.2	Y1119 I1137 I1157 F1164	Y1119-P1160 HydrophobicContact CD1-CB 4.49Å; Y1119-P1160 HydrophobicContact CD1-CG 3.79Å; Y1119-P1160 WeakPolarHBondContact CD1-O 3.33Å; Y1119-P1160 HydrophobicContact CD2-CG 3.96Å; Y1119-P1160 HydrophobicContact CE1-CG 3.81Å; Y1119-P1160 HydrophobicContact CE2-CG 3.98Å; Y1119-P1160 HydrophobicContact CG-CG 3.88Å; I1137-P1160 HydrophobicContact CD1-CB 4.33Å; I1137-P1160 HydrophobicContact CD1-CG 3.73Å; I1137-P1160 HydrophobicContact CG1-CG 3.99Å; I1157-P1160 HydrophobicContact CG2-CB 4.07Å; I1157-P1160 HydrophobicContact CG2-CG 4.43Å; P1160-F1164 HydrophobicContact CB-CB 3.99Å; P1160-F1164 HydrophobicContact CB-CD1 4.02Å; P1160-F1164 HydrophobicContact CB-CD2 4.03Å; P1160-F1164 HydrophobicContact CB-CG 3.76Å
1161	P	93.4	Very high	93.1	Very high	53 Å²	53	36.7 Å²	36.7	34%	0.344	19%	0.191	S	C	.	.			trans	-66.1	163.9	-176.4	26.8	-35.1	0	0	0	113.1	E595 E1163 F1164	E595-P1161 WeakPolarHBondContact OE1-CD 3.28Å; E595-P1161 WeakPolarHBondContact OE1-CG 3.22Å; P1161-E1163 VanDerWaalsContact C-N 3.31Å; P1161-E1163 PolarHBondContact O-N 2.95Å; P1161-F1164 HydrophobicContact CG-CB 4.11Å; P1161-F1164 HydrophobicContact CG-CD2 4.17Å; P1161-F1164 WeakPolarHBondContact O-CB 3.29Å; P1161-F1164 PolarHBondContact O-N 3.41Å; P1161-F1164 VanDerWaalsContact O-N 3.09Å
1162	Y	92.5	Very high	93.7	Very high	55 Å²	55	35.3 Å²	35.3	22%	0.216	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-45.8	-177.8	-166.1	-82.3	0	0	0	113.1	F623 V624 C1118 G1120 D1121 F1164	F623-Y1162 AromaticContact CD1-CD2 3.96Å; F623-Y1162 HydrophobicContact CD1-CD2 3.96Å; F623-Y1162 HydrophobicContact CD1-CE2 4.45Å; F623-Y1162 AromaticContact CE1-CD2 3.7Å; F623-Y1162 HydrophobicContact CE1-CD2 3.7Å; F623-Y1162 HydrophobicContact CE1-CE2 4.41Å; V624-Y1162 HydrophobicContact CG2-CE2 4Å; C1118-Y1162 WeakPolarHBondContact CB-O 3.27Å; G1120-Y1162 VanDerWaalsContact CA-CD2 3.5Å; G1120-Y1162 VanDerWaalsContact CA-CE2 3.43Å; G1120-Y1162 PolarHBondContact N-O 3.17Å; D1121-Y1162 PolarHBondContact OD1-OH 2.97Å; Y1162-F1164 PolarHBondContact O-N 3.02Å
1163	E	94	Very high	94.1	Very high	137 Å²	137	32 Å²	32	64%	0.64	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	14.2	-177.5	-42.9	-58	159.8	0	0	113.5	P1161 E1165	P1161-E1163 VanDerWaalsContact C-N 3.31Å; P1161-E1163 PolarHBondContact O-N 2.95Å; E1163-E1165 PolarHBondContact O-N 2.97Å
1164	F	94.6	Very high	94.2	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.066	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-72.8	121.1	-178.1	-165.5	-93	0	0	0	110.8	Y592 Y1119 I1137 R1139 I1157 P1160 P1161 Y1162	Y592-F1164 AromaticContact CD1-CE2 3.81Å; Y592-F1164 HydrophobicContact CD1-CE2 3.81Å; Y592-F1164 AromaticContact CD1-CZ 3.95Å; Y592-F1164 HydrophobicContact CD1-CZ 3.95Å; Y592-F1164 HydrophobicContact CE1-CE2 4.21Å; Y592-F1164 HydrophobicContact CE1-CZ 4.42Å; Y1119-F1164 PolarHBondContact N-O 2.89Å; I1137-F1164 HydrophobicContact CD1-CD1 3.58Å; I1137-F1164 HydrophobicContact CD1-CE1 3.6Å; R1139-F1164 VanDerWaalsContact NH1-CE1 3.32Å; I1157-F1164 HydrophobicContact CD1-CE1 4.18Å; I1157-F1164 HydrophobicContact CD1-CZ 3.75Å; P1160-F1164 HydrophobicContact CB-CB 3.99Å; P1160-F1164 HydrophobicContact CB-CD1 4.02Å; P1160-F1164 HydrophobicContact CB-CD2 4.03Å; P1160-F1164 HydrophobicContact CB-CG 3.76Å; P1161-F1164 HydrophobicContact CG-CB 4.11Å; P1161-F1164 HydrophobicContact CG-CD2 4.17Å; P1161-F1164 WeakPolarHBondContact O-CB 3.29Å; P1161-F1164 PolarHBondContact O-N 3.41Å; P1161-F1164 VanDerWaalsContact O-N 3.09Å; Y1162-F1164 PolarHBondContact O-N 3.02Å
1165	E	93.3	Very high	94.2	Very high	134 Å²	134	28.6 Å²	28.6	63%	0.626	15%	0.148	S	C	*	.	B	Isolated β-bridge	trans	-68.5	130.4	-178.8	-175.1	173.7	-172.3	0	0	111.6	R1139 E1163	R1139-E1165 PolarHBondContact NH2-O 3.35Å; E1163-E1165 PolarHBondContact O-N 2.97Å
1166	L	93	Very high	94	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-90.1	146.3	176.1	-64	174.4	0	0	0	111.7	L1105 G1116 G1117 Y1119 L1122 I1137 I1172	L1105-L1166 HydrophobicContact CD1-CB 4.13Å; L1105-L1166 HydrophobicContact CD1-CD1 4.07Å; L1105-L1166 HydrophobicContact CD1-CD2 4.24Å; L1105-L1166 HydrophobicContact CD1-CG 4.38Å; G1116-L1166 PolarHBondContact N-O 3.24Å; G1117-L1166 WeakPolarHBondContact O-CB 3.1Å; G1117-L1166 WeakPolarHBondContact O-CG 3.41Å; G1117-L1166 PolarHBondContact O-N 3.47Å; Y1119-L1166 HydrophobicContact CD2-CD2 4.23Å; L1122-L1166 HydrophobicContact CB-CD1 3.96Å; L1122-L1166 HydrophobicContact CD2-CD1 3.79Å; L1122-L1166 HydrophobicContact CD2-CD2 4.46Å; L1122-L1166 HydrophobicContact CG-CD1 4.47Å; I1137-L1166 HydrophobicContact CD1-CD2 3.87Å; L1166-I1172 HydrophobicContact CD2-CD1 4.25Å
1167	V	91.3	Very high	93.6	Very high	40 Å²	40	32.5 Å²	32.5	24%	0.242	17%	0.167	C	C	.	.			trans	-111.9	137.5	172.3	-177.6	0	0	0	0	107.4	G1114 T1169 D1170	G1114-V1167 CarbonylContact O-C 3.55Å; V1167-T1169 WeakPolarHBondContact CG1-OG1 3.32Å; V1167-T1169 PolarHBondContact O-N 2.82Å; V1167-D1170 PolarHBondContact N-OD2 3.31Å; V1167-D1170 VanDerWaalsContact O-CB 3.29Å; V1167-D1170 WeakPolarHBondContact O-CB 3.2Å; V1167-D1170 PolarHBondContact O-N 2.87Å
1168	P	89.3	Confident	93	Very high	42 Å²	42	33 Å²	33	27%	0.273	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20	-171.2	25.2	-34.5	0	0	0	113.1	L1105 L1106 G1114 D1170	L1105-P1168 CarbonylContact C-O 3.17Å; L1105-P1168 WeakPolarHBondContact CB-O 3.28Å; L1106-P1168 HydrophobicContact CD2-CB 4.31Å; L1106-P1168 VanDerWaalsContact CD2-O 3.28Å; L1106-P1168 WeakPolarHBondContact CD2-O 3.43Å; L1106-P1168 VanDerWaalsContact CG-O 3.29Å; L1106-P1168 WeakPolarHBondContact CG-O 3.5Å; L1106-P1168 PolarHBondContact N-O 3.03Å; L1106-P1168 VanDerWaalsContact N-O 3.11Å; G1114-P1168 WeakPolarHBondContact O-CD 3.31Å; G1114-P1168 VanDerWaalsContact O-N 3.15Å; P1168-D1170 VanDerWaalsContact C-N 3.3Å; P1168-D1170 PolarHBondContact O-N 2.98Å
1169	T	90.8	Very high	92	Very high	46 Å²	46	36.8 Å²	36.8	28%	0.282	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.5	173.4	54.1	0	0	0	0	114.8	L1106 L1140 R1154 V1167	L1106-T1169 HydrophobicContact CD2-CG2 4.35Å; L1140-T1169 HydrophobicContact CD1-CG2 4.33Å; R1154-T1169 VanDerWaalsContact CZ-O 3.26Å; R1154-T1169 PolarHBondContact NH1-O 3.48Å; R1154-T1169 PolarHBondContact NH2-O 3.39Å; V1167-T1169 WeakPolarHBondContact CG1-OG1 3.32Å; V1167-T1169 PolarHBondContact O-N 2.82Å
1170	D	93.5	Very high	90.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.207	C	C	.	.			trans	-67.6	149	-177.1	-73.5	-30.5	0	0	0	112.8	L1105 I1137 R1139 V1167 P1168 I1172	L1105-D1170 HydrophobicContact CD1-CB 4.22Å; L1105-D1170 PolarHBondContact N-O 3.39Å; I1137-D1170 HydrophobicContact CG2-CB 3.92Å; R1139-D1170 WeakPolarHBondContact CA-OD1 3.26Å; R1139-D1170 WeakPolarHBondContact CB-OD1 3.37Å; R1139-D1170 WeakPolarHBondContact CG-OD1 3.46Å; R1139-D1170 IonicContact CZ-OD2 3.9Å; R1139-D1170 IonicContact NE-OD1 3.84Å; R1139-D1170 PolarHBondContact NE-OD1 3.11Å; R1139-D1170 IonicContact NE-OD2 2.74Å; R1139-D1170 PolarHBondContact NE-OD2 3.3Å; R1139-D1170 IonicContact NH2-OD2 2.76Å; R1139-D1170 PolarHBondContact NH2-OD2 2.88Å; V1167-D1170 PolarHBondContact N-OD2 3.31Å; V1167-D1170 VanDerWaalsContact O-CB 3.29Å; V1167-D1170 WeakPolarHBondContact O-CB 3.2Å; V1167-D1170 PolarHBondContact O-N 2.87Å; P1168-D1170 VanDerWaalsContact C-N 3.3Å; P1168-D1170 PolarHBondContact O-N 2.98Å; D1170-I1172 HydrophobicContact CB-CD1 4.37Å
1171	L	95.2	Very high	88	Confident	39 Å²	39	45.7 Å²	45.7	20%	0.204	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.9	167.4	-68.9	174	0	0	0	108.1	L1103 A1104 Y1138	L1103-L1171 CarbonylContact O-C 3.53Å; L1103-L1171 WeakPolarHBondContact O-CA 3.14Å; A1104-L1171 HydrophobicContact CB-CD2 3.81Å; Y1138-L1171 HydrophobicContact CD1-CB 4.49Å; Y1138-L1171 HydrophobicContact CD1-CD1 4.11Å; Y1138-L1171 PolarHBondContact N-O 3.11Å; Y1138-L1171 PolarHBondContact O-N 3.25Å
1172	I	95.9	Very high	85.7	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.5	-172.6	-53.5	-64.7	0	0	0	110	Q1102 L1103 L1105 L1122 C1134 I1137 L1166 D1170 C1174	Q1102-I1172 WeakPolarHBondContact CA-O 3.45Å; L1103-I1172 PolarHBondContact N-O 2.97Å; L1103-I1172 PolarHBondContact O-N 3.39Å; L1105-I1172 HydrophobicContact CD1-CD1 4.14Å; L1105-I1172 HydrophobicContact CD1-CG1 4.22Å; L1105-I1172 HydrophobicContact CD2-CG1 3.94Å; L1105-I1172 HydrophobicContact CG-CD1 4.41Å; L1105-I1172 HydrophobicContact CG-CG1 3.95Å; L1122-I1172 HydrophobicContact CD2-CD1 4.02Å; L1122-I1172 HydrophobicContact CD2-CG1 3.92Å; L1122-I1172 HydrophobicContact CD2-CG2 4.27Å; C1134-I1172 HydrophobicContact CB-CG2 4.03Å; I1137-I1172 HydrophobicContact CB-CD1 4.4Å; I1137-I1172 HydrophobicContact CG1-CD1 3.82Å; I1137-I1172 HydrophobicContact CG2-CD1 4.21Å; L1166-I1172 HydrophobicContact CD2-CD1 4.25Å; D1170-I1172 HydrophobicContact CB-CD1 4.37Å; I1172-C1174 PolarHBondContact O-N 3.13Å
1173	F	96.8	Very high	83	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.4	173.8	-68.4	-81.2	0	0	0	110.1	A565 Q566 L568 M571 Q1102 C1134 F1135 G1136 Y1138 V1156	A565-F1173 HydrophobicContact CB-CD1 4.14Å; A565-F1173 HydrophobicContact CB-CE1 4.11Å; Q566-F1173 WeakPolarHBondContact O-CE1 3.3Å; Q566-F1173 WeakPolarHBondContact O-CZ 3.46Å; L568-F1173 HydrophobicContact CB-CE1 4.27Å; L568-F1173 HydrophobicContact CD1-CD1 3.86Å; L568-F1173 HydrophobicContact CD1-CE1 4.1Å; M571-F1173 HydrophobicContact CE-CB 4.43Å; M571-F1173 HydrophobicContact CE-CD2 3.32Å; M571-F1173 HydrophobicContact CE-CE2 3.53Å; M571-F1173 HydrophobicContact CE-CG 3.93Å; M571-F1173 HydrophobicContact CE-CZ 4.3Å; M571-F1173 HydrophobicContact SD-CB 4.46Å; M571-F1173 HydrophobicContact SD-CD2 4.21Å; M571-F1173 HydrophobicContact SD-CG 4.23Å; Q1102-F1173 HydrophobicContact CG-CD1 4.06Å; Q1102-F1173 HydrophobicContact CG-CE1 4.24Å; C1134-F1173 WeakPolarHBondContact CA-O 3.28Å; F1135-F1173 HydrophobicContact CD1-CB 4.43Å; F1135-F1173 HydrophobicContact CD2-CB 4.31Å; F1135-F1173 HydrophobicContact CE1-CB 4.14Å; F1135-F1173 HydrophobicContact CE2-CB 4.03Å; F1135-F1173 HydrophobicContact CZ-CB 3.94Å; F1135-F1173 PolarHBondContact N-O 3.43Å; G1136-F1173 PolarHBondContact O-N 2.85Å; Y1138-F1173 HydrophobicContact CD2-CE2 4.26Å; Y1138-F1173 HydrophobicContact CD2-CZ 4.17Å; Y1138-F1173 HydrophobicContact CG-CE2 4.16Å; Y1138-F1173 HydrophobicContact CG-CZ 4.11Å; V1156-F1173 HydrophobicContact CG2-CE2 4.47Å; V1156-F1173 HydrophobicContact CG2-CZ 4.43Å
1174	C	94.8	Very high	80	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.6	-179.9	75.2	0	0	0	0	113.8	A1101 L1103 L1133 I1172	A1101-C1174 PolarHBondContact N-O 2.8Å; A1101-C1174 PolarHBondContact O-N 3.01Å; A1101-C1174 PolarHBondContact O-SG 3.47Å; L1103-C1174 HydrophobicContact CD1-CB 4.28Å; L1133-C1174 CarbonylContact O-C 3.47Å; L1133-C1174 VanDerWaalsContact O-CA 3.23Å; L1133-C1174 WeakPolarHBondContact O-CA 3.38Å; I1172-C1174 PolarHBondContact O-N 3.13Å
1175	L	93.9	Very high	76.7	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	104.1	168.3	-66.5	171.1	0	0	0	108.9	I631 I646 N647 L1063 C1098 R1099 V1100 M1132 L1133 F1135	I631-L1175 HydrophobicContact CG2-CD1 4.05Å; I646-L1175 HydrophobicContact CG2-CD1 3.63Å; I646-L1175 HydrophobicContact CG2-CD2 4.26Å; N647-L1175 HydrophobicContact CB-CB 4.12Å; N647-L1175 HydrophobicContact CB-CD1 3.84Å; N647-L1175 PolarHBondContact ND2-O 2.84Å; L1063-L1175 HydrophobicContact CD1-CD2 4.23Å; C1098-L1175 HydrophobicContact CB-CB 4.18Å; C1098-L1175 HydrophobicContact CB-CD2 4.48Å; R1099-L1175 WeakPolarHBondContact O-CA 3.42Å; V1100-L1175 HydrophobicContact CG2-CD2 3.91Å; M1132-L1175 WeakPolarHBondContact CA-O 3.49Å; L1133-L1175 HydrophobicContact CB-CB 4.32Å; L1133-L1175 HydrophobicContact CB-CD1 4.49Å; L1133-L1175 HydrophobicContact CD2-CD1 4.15Å; L1133-L1175 PolarHBondContact N-O 2.85Å; L1133-L1175 PolarHBondContact O-N 3.3Å; F1135-L1175 HydrophobicContact CD1-CG 4.13Å; F1135-L1175 HydrophobicContact CE1-CD2 4.17Å; F1135-L1175 HydrophobicContact CE1-CG 3.8Å
1176	M	90.8	Very high	73.8	Confident	40 Å²	40	51.6 Å²	51.6	20%	0.197	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139	174.9	-58.3	179.3	85.4	0	0	110.5	C1098 R1099 A1101 M1132	C1098-M1176 CarbonylContact C-O 3.52Å; C1098-M1176 WeakPolarHBondContact CA-O 3.43Å; C1098-M1176 PolarHBondContact SG-O 2.86Å; R1099-M1176 HydrophobicContact CG-CB 4.05Å; R1099-M1176 PolarHBondContact N-O 3.4Å; R1099-M1176 PolarHBondContact O-N 3.44Å; A1101-M1176 HydrophobicContact CB-CG 3.96Å; A1101-M1176 HydrophobicContact CB-SD 3.49Å; A1101-M1176 WeakPolarHBondContact CB-SD 3.19Å; M1132-M1176 HydrophobicContact CE-CE 3.53Å; M1132-M1176 HydrophobicContact CE-CG 4.27Å
1177	Q	89.1	Confident	70.7	Confident	44 Å²	44	55.5 Å²	55.5	21%	0.206	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-68	162.6	168.1	-56.9	-61.9	-19.6	0	0	111.4	N647 C1098 N1131	N647-Q1177 PolarHBondContact ND2-NE2 3.26Å; N647-Q1177 PolarHBondContact O-NE2 3.05Å; C1098-Q1177 VanDerWaalsContact SG-CD 3.52Å; C1098-Q1177 PolarHBondContact SG-OE1 3.34Å; C1098-Q1177 VanDerWaalsContact SG-OE1 3.38Å; N1131-Q1177 HydrophobicContact CB-CG 3.85Å; N1131-Q1177 PolarHBondContact O-NE2 3.36Å; N1131-Q1177 VanDerWaalsContact O-NE2 3.12Å
1178	F	84.8	Confident	67.6	Low	11 Å²	11	57.7 Å²	57.7	5%	0.048	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-85.1	121.9	169.9	-176.7	-101.2	0	0	0	110.5	N868 H870 H1180	N868-F1178 WeakPolarHBondContact O-CD2 3.31Å; H870-F1178 AromaticContact CE1-CE2 3.39Å; H870-F1178 WeakPolarHBondContact CE1-CE2 3.37Å; H870-F1178 AromaticContact CE1-CZ 3.57Å; H870-F1178 AromaticContact ND1-CE2 3.85Å; H870-F1178 AromaticContact NE2-CE2 3.75Å; H870-F1178 AromaticContact NE2-CZ 3.45Å; H870-F1178 WeakPolarHBondContact NE2-CZ 3.44Å; F1178-H1180 AromaticContact CE1-CE1 3.95Å; F1178-H1180 AromaticContact CE1-ND1 3.8Å
1179	D	75.1	Confident	64.6	Low	81 Å²	81	62.9 Å²	62.9	43%	0.433	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-94.7	123	173.3	176.9	31.7	0	0	0	111.4	H870 N1181 A1182	H870-D1179 PolarHBondContact CE1-O 2.9Å; D1179-N1181 WeakPolarHBondContact OD1-CB 3.23Å; D1179-N1181 PolarHBondContact OD1-N 3.07Å; D1179-A1182 PolarHBondContact OD2-N 3.42Å
1180	H	61.2	Low	61.5	Low	108 Å²	108	65.3 Å²	65.3	50%	0.5	37%	0.368	S	S	.	.	S	Bend	trans	-74.3	-23.8	174.9	-68.2	-87.3	0	0	0	113.4	F1178	F1178-H1180 AromaticContact CE1-CE1 3.95Å; F1178-H1180 AromaticContact CE1-ND1 3.8Å
1181	N	44.5	Very low	58.4	Low	106 Å²	106	73.4 Å²	73.4	57%	0.567	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-86	-22.2	-170.9	-65.5	-42	0	0	0	114	D1179 G1183 Q1184 S1185	D1179-N1181 WeakPolarHBondContact OD1-CB 3.23Å; D1179-N1181 PolarHBondContact OD1-N 3.07Å; N1181-G1183 PolarHBondContact O-N 3.01Å; N1181-Q1184 PolarHBondContact O-N 3.34Å; N1181-S1185 PolarHBondContact O-N 3.38Å
1182	A	46.4	Very low	55	Low	41 Å²	41	77.1 Å²	77.1	34%	0.339	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-51.9	-26.7	175.3	0	0	0	0	0	114.2	D1179	D1179-A1182 PolarHBondContact OD2-N 3.42Å
1183	G	34.3	Very low	51.6	Low	49 Å²	49	81.7 Å²	81.7	51%	0.505	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-76.5	-26.1	175.5	0	0	0	0	0	115.3	N1181	N1181-G1183 PolarHBondContact O-N 3.01Å
1184	Q	31	Very low	48.3	Very low	144 Å²	144	90.4 Å²	90.4	67%	0.673	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-29.7	-174.3	-68.2	-173.6	-9.8	0	0	113.3	N1181 R1186 A1187 S1188	N1181-Q1184 PolarHBondContact O-N 3.34Å; Q1184-R1186 VanDerWaalsContact C-N 3.26Å; Q1184-R1186 PolarHBondContact O-N 2.95Å; Q1184-A1187 PolarHBondContact O-N 3.46Å; Q1184-S1188 PolarHBondContact O-OG 2.92Å
1185	S	26.6	Very low	44.9	Very low	59 Å²	59	95.7 Å²	95.7	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-63	-25.4	-174.8	56.9	0	0	0	0	114.7	N1181	N1181-S1185 PolarHBondContact O-N 3.38Å
1186	R	31.2	Very low	41.8	Very low	224 Å²	224	101.2 Å²	101.2	85%	0.845	58%	0.583	S	S	*	*	H	α-helix	trans	-80.6	-12.5	174.4	-97.5	-177.4	169.2	169.2	-2.4	114.9	Q1184	Q1184-R1186 VanDerWaalsContact C-N 3.26Å; Q1184-R1186 PolarHBondContact O-N 2.95Å
1187	A	28.4	Very low	38.6	Very low	85 Å²	85	108.8 Å²	108.8	70%	0.702	62%	0.618	S	S	*	*	H	α-helix	trans	-91.4	-11.8	178.8	0	0	0	0	0	113.6	Q1184	Q1184-A1187 PolarHBondContact O-N 3.46Å
1188	S	25.7	Very low	35.9	Very low	85 Å²	85	112.1 Å²	112.1	59%	0.594	65%	0.646	S	S	*	*	H	α-helix	trans	-120.2	-4.8	-169.9	51.8	0	0	0	0	115.3	Q1184 S1190	Q1184-S1188 PolarHBondContact O-OG 2.92Å; S1188-S1190 VanDerWaalsContact C-N 3.27Å; S1188-S1190 PolarHBondContact O-N 2.81Å
1189	L	26.1	Very low	32.9	Very low	151 Å²	151	117.5 Å²	117.5	79%	0.791	69%	0.685	S	S	*	*			trans	-86.6	24.5	-177.7	-90.1	169.8	0	0	0	115.1
1190	S	25.3	Very low	30.8	Very low	97 Å²	97	118.2 Å²	118.2	68%	0.678	70%	0.697	S	S	*	*	S	Bend	trans	-107	27	176.5	59.1	0	0	0	0	114.5	S1188	S1188-S1190 VanDerWaalsContact C-N 3.27Å; S1188-S1190 PolarHBondContact O-N 2.81Å
1191	H	28.5	Very low	29.1	Very low	172 Å²	172	122.2 Å²	122.2	80%	0.796	71%	0.713	S	S	*	*	S	Bend	trans	-151.9	158.1	163.5	-92	-56	0	0	0	114.3
1192	S	25.2	Very low	28.2	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	73%	0.725	S	S	*	*			trans	56.1	95.4	173.4	51.8	0	0	0	0	117.9
1193	S	24.3	Very low	27.1	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	75%	0.75	S	S	*	*			trans	-91.2	152.2	153	54.6	0	0	0	0	110.7
1194	H	27.6	Very low	26.8	Very low	182 Å²	182	133.1 Å²	133.1	84%	0.843	76%	0.763	S	S	*	*			trans	65	152.7	178.6	-51	-79.5	0	0	0	115.9
1195	S	23.8	Very low	27	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	77%	0.77	S	S	*	*			cis	-135	148.3	1	57.7	0	0	0	0	111.3
1196	S	29	Very low	27.1	Very low	119 Å²	119	134.8 Å²	134.8	83%	0.832	79%	0.785	S	S	*	*			trans	-95.6	129.4	167.8	46.7	0	0	0	0	109.8
1197	Q	23.5	Very low	27	Very low	199 Å²	199	132.3 Å²	132.3	93%	0.93	78%	0.783	S	S	*	*			trans	-139.6	131.7	158	-115.9	179.6	20.8	0	0	111.7
1198	S	31.3	Very low	27.2	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	78%	0.779	S	S	*	*			trans	-71.6	145.7	-169.7	55.3	0	0	0	0	113.8
1199	S	22	Very low	27.3	Very low	124 Å²	124	136 Å²	136	87%	0.867	79%	0.789	S	S	*	*			trans	-118.4	145.4	147.9	65.3	0	0	0	0	109.7
1200	S	31.2	Very low	28	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	79%	0.787	S	S	*	*			trans	-145.3	159.2	177.1	63.1	0	0	0	0	109.8
1201	K	25.1	Very low	28.2	Very low	192 Å²	192	134.4 Å²	134.4	84%	0.835	79%	0.788	S	S	*	*			trans	81.6	144.9	-173.3	-49.3	158.8	-173.9	169.3	0	113
1202	K	25.6	Very low	28.3	Very low	192 Å²	192	132.3 Å²	132.3	84%	0.835	79%	0.787	S	S	*	*			cis	-164.6	177.9	-11.3	-120.3	-173.1	177.8	-170.1	0	110.9
1203	S	24.1	Very low	28.5	Very low	121 Å²	121	131 Å²	131	85%	0.846	78%	0.784	S	S	*	*			trans	86.3	151.2	164.7	84	0	0	0	0	115.9
1204	S	27.3	Very low	28.7	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	79%	0.79	S	S	*	*			cis	-133.4	155.1	5.1	61.7	0	0	0	0	113.4
1205	S	34.5	Very low	28.7	Very low	118 Å²	118	136 Å²	136	83%	0.825	79%	0.792	S	S	*	*			trans	-150.9	129.5	165.8	57	0	0	0	0	110.9
1206	V	30.4	Very low	30.2	Very low	119 Å²	119	135.4 Å²	135.4	72%	0.721	79%	0.786	S	S	*	*			trans	-149.1	129.7	176	177.9	0	0	0	0	103.6
1207	H	28	Very low	30	Very low	173 Å²	173	137 Å²	137	80%	0.801	79%	0.785	S	S	*	*			cis	-117.4	124.6	43.7	-85.5	-85.4	0	0	0	116.9
1208	S	33.3	Very low	30.1	Very low	88 Å²	88	137.9 Å²	137.9	62%	0.615	78%	0.779	S	S	*	*				24.7	144.2	126.5	52.6	0	0	0	0	121.6
1209	I	28.2	Very low	30.7	Very low	158 Å²	158	137.3 Å²	137.3	81%	0.81	77%	0.773	S	S	*	*			cis	-179.8	172.6	-10.7	-145.7	158.6	0	0	0	106.2
1210	P	40.9	Very low	30.8	Very low	116 Å²	116	140 Å²	140	75%	0.753	77%	0.769	S	S	*	*			cis	-111.2	-137.1	-8.9	26.5	-0.3	0	0	0	110.5
1211	S	28.1	Very low	30.8	Very low	99 Å²	99	140.3 Å²	140.3	69%	0.692	77%	0.772	S	S	*	*			cis	-158	167.6	4.7	61.9	0	0	0	0	115.6
1212	T	31.5	Very low	31	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	77%	0.769	S	S	*	*			trans	9	119.4	161.1	47.6	0	0	0	0	124.8
1213	A	29.1	Very low	31	Very low	91 Å²	91	139 Å²	139	75%	0.752	76%	0.762	S	S	*	*				99	99.6	119.1	0	0	0	0	0	123.6
1214	N	28.1	Very low	31	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	76%	0.761	S	S	*	*				73	117.9	127	-89.3	-19.1	0	0	0	125.6
1215	R	28.1	Very low	31.3	Very low	233 Å²	233	143.9 Å²	143.9	88%	0.879	76%	0.763	S	S	*	*			trans	78.1	156.4	138	-79.1	-165.8	166.1	-175.6	-3.5	121
1216	P	55.1	Low	31.1	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	76%	0.757	S	S	*	*			trans	-129.4	170.6	-154.7	43.3	-28.3	0	0	0	116
1217	N	25.6	Very low	31	Very low	152 Å²	152	148.8 Å²	148.8	81%	0.813	77%	0.766	S	S	*	*				-178.4	155.1	121.1	-99.1	-39.8	0	0	0	116.4
1218	R	25.3	Very low	31.1	Very low	217 Å²	217	149.5 Å²	149.5	82%	0.819	77%	0.769	S	S	*	*			trans	-16.2	169	133.6	-109.8	-179.8	175.4	-178.7	0.1	117.4
1219	P	43.2	Very low	30.8	Very low	102 Å²	102	152.5 Å²	152.5	66%	0.662	78%	0.779	S	S	*	*			cis	-147.3	-178.4	8.2	42.5	-22.1	0	0	0	118.8
1220	K	25	Very low	30.8	Very low	180 Å²	180	155.1 Å²	155.1	78%	0.783	78%	0.778	S	S	*	*			trans	33.2	117	137.6	-69.2	-177.6	173.2	-170.8	0	122.4
1221	S	31.1	Very low	30.3	Very low	104 Å²	104	159.5 Å²	159.5	73%	0.727	79%	0.786	S	S	*	*				18.2	128.6	121.2	64	0	0	0	0	121.8
1222	R	28	Very low	30.4	Very low	208 Å²	208	162 Å²	162	79%	0.785	79%	0.787	S	S	*	*				-176.5	149.9	120.8	-126.2	174.7	151.9	143.6	-4.7	113.7
1223	E	25.4	Very low	30.2	Very low	147 Å²	147	163.1 Å²	163.1	69%	0.687	78%	0.784	S	S	*	*			trans	61.3	159.8	150.6	-84.9	144.5	-155.4	0	0	118.8
1224	S	24.8	Very low	30.5	Very low	118 Å²	118	164.5 Å²	164.5	83%	0.825	78%	0.783	S	S	*	*			cis	-154.6	-176.9	-8	48.2	0	0	0	0	111.5
1225	R	32.8	Very low	30.7	Very low	220 Å²	220	167 Å²	167	83%	0.83	78%	0.783	S	S	*	*			trans	-72.1	165.9	-173	-122	-174.9	-173.3	159.5	-0.3	115.7
1226	D	30.6	Very low	31.1	Very low	130 Å²	130	169.8 Å²	169.8	70%	0.695	79%	0.793	S	S	*	*			trans	64.2	117.1	151.4	-52.6	-25.9	0	0	0	121.3
1227	K	28.2	Very low	29.9	Very low	209 Å²	209	173.3 Å²	173.3	91%	0.909	80%	0.801	S	S	*	*				-168.8	141.6	107.4	-104.9	162.3	-174.1	170	0	113.6
1228	Q	30.5	Very low	30.1	Very low	188 Å²	188	174.4 Å²	174.4	88%	0.879	80%	0.8	S	S	*	*			trans	-129.2	134.8	170.4	-163.4	177.9	23.5	0	0	109.7
1229	N	27.8	Very low	30.4	Very low	151 Å²	151	172.1 Å²	172.1	81%	0.807	80%	0.799	S	S	*	*			trans	-131	149.9	165.8	-88.6	-35.7	0	0	0	105.2
1230	R	27.6	Very low	29.6	Very low	214 Å²	214	176.2 Å²	176.2	81%	0.808	81%	0.807	S	S	*	*			cis	-153.2	154.5	9.4	-149.3	178.2	-174.6	-176.3	-1.3	107.2
1231	K	30.2	Very low	29.9	Very low	208 Å²	208	175.9 Å²	175.9	90%	0.904	81%	0.808	S	S	*	*			trans	-122.1	147.7	159.6	-89.1	-168.6	174.4	-175.1	0	109.1
1232	E	29.9	Very low	29.8	Very low	152 Å²	152	180.7 Å²	180.7	71%	0.71	81%	0.814	S	S	*	*			trans	-113.5	146	164.5	-84.8	-175.7	134.3	0	0	110.3
1233	M	28.8	Very low	29.9	Very low	150 Å²	150	178.8 Å²	178.8	74%	0.739	82%	0.816	S	S	*	*			trans	35.8	118.6	154.8	-71.4	-178.8	-87.2	0	0	119.8
1234	V	35.4	Very low	30.3	Very low	120 Å²	120	181.2 Å²	181.2	73%	0.727	83%	0.826	S	S	*	*				68.2	122.3	71.2	165.7	0	0	0	0	110.9
1235	Y	31.9	Very low	30.7	Very low	204 Å²	204	186.5 Å²	186.5	80%	0.8	83%	0.826	S	S	*	*			cis	-144.9	169.3	0.4	-119.6	-156.5	0	0	0	105.9
1236	R	35.1	Very low	30.5	Very low	292 Å²	292	183.5 Å²	183.5	100%	1.102	83%	0.825	S	S	*	*			cis	-150	0	20.2	-167.2	178.5	-163.2	166	4.8	110.5

Retrieved 1,236 of 1,236 residues in 946.5 ms (Link to these results)

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