A0A3Q0KH94_SCHMA Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A3Q0KH94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,326 aa.

						>A0A3Q0KH94_SCHMA|A0A3Q0KH94
MDQRESNRTVGSLKSTSSLIELSNSTEHHITHPPFTKGASTGTYTTTRSGDEYSASISSNPSRSSFLSRQVSFDQGGEGRLSSTQVKQRLKAYLLNRRRGRVLSNRHWRTDESDFDENLEHPGSDSGQHGISHIVDHWHSADSPSFSEWDLGDDNLLAHQHHSLDLDMQRKLADFNASIKSTCLSSNLEHISHSLSLSQSSNIPSFNSANIKELNKERGDIGIVLGSTVASEREPDSRELTKSNQYLEQLNYHLVSKYNGRLTNEQIQTMIALLRIISQSRQQIKRTSSQPINLEELKNNADSRYQSQRVHYREYDSTQLEGYLRFSEFGADVNYHEALLALVKLCQEASSTIPVQSNIVESQHRNSINKSHSLCVSSQMDWESQSSPNCTKSNLIYNSVLNPLTQQNISTDIDDGCGGNDRKCGDDDDVDNATSSNPIVNSAKNDYDNNSSEIYYQSHKLASDIWFALPESDWLPQSYRADMKTTCYPNIPNHSLVTAVAFDPEMLEHKCLCPNAHDSSIHPECPDRLTSALERLVRTPLCIPPHMSSYASNNLIESFKFTVLYDMPDLQHDFSQFLQSHADISEALITHLPLLAFCRLVRARMATMNELQIFHSNEYVQTFGTIPTVSNDDRPSSKCSNESSSLSTVSCGSTTIDRGLSVFNSCTKTSLSNQLCSLACGGVGVDSDTVWNPYKTARAARLAVGQVLCLAYQVAKRHFRNGFAIVRPPGHHAEPDQAMGFCYFNSVAIAALHLLRERIVSKVLILDWDIHHGNGTKLATTHPGLVYLSLHRYDGGTFFPGTGSVSNCTEENQSSRSNSCDSDHTSTTPVAVSVSDSNISSEKFNHFDDHSSNHKANINFNNKFVNNFSNTMTPSAQLINIAWENPYNGKSDNNYTEMIRSQMKRRSTTTSTVNPYSLNADERRKRWFQNAANRSTQDKQKVYKTIESSDHHQYPSYSNQYNFEQHNSLSSSSTSLPFQHSTSIRNRQNSDLTPFCTCPSNKATSTGSSQVCSFCLSQSIESCSDKSDLLLPETNPINCHPYHSYPHFQQYPLASNTSNHQHHNQPLSSGTWKEPLLGLSDAEYLAAMRSIVIPVGHEFQPDIILISAGYDAAYGHGEALGGYSVSAGLFAWITHQCMSISNSRIVLALEGGYSPSTVADCITSCVNALLLPASQSHWIPVLNNEQPNKCVNIDGAQEAWMNAVYWIPNSELIRPPRPEAVVNLMTTIRHHAKTGWKCFTNVSEENVAMSFSEAIHMEHQLVEMNKSTEFNSMKSRKLSDSSCSIPSSSVEAPIVSSTSSSSTTAAYRFSNSHLSDYMAKLHMDQS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	30.8	Very low	232 Å²	232	146.6 Å²	146.6	100%	1.143	76%	0.759	S	S	*	*				0	146.9	0	-80.1	163.1	151.2	0	0	107.3
2	D	31.5	Very low	30.6	Very low	131 Å²	131	143.1 Å²	143.1	70%	0.701	76%	0.756	S	S	*	*			trans	54.9	144.6	160.7	-61.5	-41.4	0	0	0	121.3
3	Q	28.6	Very low	30.6	Very low	128 Å²	128	142.1 Å²	142.1	60%	0.598	75%	0.75	S	S	*	*			cis	-164.1	131.5	-34.4	-130.3	-172	96.8	0	0	110.2
4	R	29.5	Very low	30.7	Very low	203 Å²	203	144.5 Å²	144.5	77%	0.766	75%	0.751	S	S	*	*			trans	62.5	178.5	164.2	-53.5	177.9	-176.4	168.9	6.3	113.3
5	E	35.4	Very low	30.7	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.752	74%	0.743	S	S	*	*			cis	-160.2	158.3	9	-147.3	154.3	-109.6	0	0	107.4
6	S	32.7	Very low	30.6	Very low	84 Å²	84	139.6 Å²	139.6	59%	0.587	74%	0.743	S	S	*	*			cis	-165.8	168.3	-39	65.9	0	0	0	0	109.9
7	N	29.3	Very low	30.5	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	74%	0.744	S	S	*	*			trans	71.7	137.3	144.3	-80.1	-55.6	0	0	0	123.5
8	R	30.6	Very low	30.4	Very low	218 Å²	218	135.3 Å²	135.3	82%	0.823	74%	0.739	S	S	*	*			trans	75.6	141.2	150.2	-64.8	163.1	-174.7	-168.3	2.2	117.9
9	T	31.8	Very low	30.4	Very low	119 Å²	119	135.9 Å²	135.9	73%	0.73	74%	0.74	S	S	*	*			cis	-157.8	136.1	-4	7.1	0	0	0	0	113.6
10	V	27.6	Very low	30.5	Very low	139 Å²	139	137 Å²	137	84%	0.842	74%	0.743	S	S	*	*			trans	42.7	119.3	134.7	-179.1	0	0	0	0	120.4
11	G	31.1	Very low	30.2	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	74%	0.744	S	S	*	*			trans	166.1	78.5	165.6	0	0	0	0	0	111.4
12	S	28.5	Very low	30	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	73%	0.727	S	S	*	*				63	124.2	73.3	-146.9	0	0	0	0	110.8
13	L	30.4	Very low	29.6	Very low	130 Å²	130	132.7 Å²	132.7	68%	0.681	73%	0.727	S	S	*	*			cis	-171.4	144.6	29.4	-169.2	169.2	0	0	0	113
14	K	32	Very low	29.7	Very low	176 Å²	176	133.7 Å²	133.7	77%	0.765	74%	0.736	S	S	*	*			trans	67.3	154.2	155.5	-78.4	170.2	-164.8	171.8	0	119.1
15	S	31	Very low	29.8	Very low	89 Å²	89	129.1 Å²	129.1	62%	0.622	74%	0.735	S	S	*	*			cis	-163.9	127.4	-9.6	45.4	0	0	0	0	115.9
16	T	29.8	Very low	29.7	Very low	121 Å²	121	126.9 Å²	126.9	74%	0.742	73%	0.733	S	S	*	*				65.9	130.2	126.7	66.7	0	0	0	0	123.7
17	S	28.9	Very low	29.6	Very low	109 Å²	109	131 Å²	131	76%	0.762	74%	0.742	S	S	*	*				81.2	145.7	128.2	-72.2	0	0	0	0	119.7
18	S	28.4	Very low	29.6	Very low	93 Å²	93	132.7 Å²	132.7	65%	0.65	75%	0.746	S	S	*	*			cis	-171.9	158.8	-6.7	44	0	0	0	0	110.3
19	L	30.2	Very low	29.7	Very low	148 Å²	148	129.9 Å²	129.9	78%	0.775	74%	0.742	S	S	*	*				174.1	133.9	115.2	-91.5	163.4	0	0	0	114
20	I	31.5	Very low	29.7	Very low	156 Å²	156	130.4 Å²	130.4	80%	0.8	74%	0.739	S	S	*	*			trans	70.6	115.4	152	-61.3	167	0	0	0	118.6
21	E	25.7	Very low	29.9	Very low	163 Å²	163	129.5 Å²	129.5	76%	0.762	73%	0.734	S	S	*	*			trans	-94.2	157.7	173.5	-57.3	162	97.5	0	0	111.9
22	L	24.8	Very low	29.8	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	74%	0.739	S	S	*	*			trans	48.6	155.2	132	-65.2	169.1	0	0	0	123.6
23	S	24.8	Very low	30.1	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	74%	0.743	S	S	*	*			trans	79	113.7	161.3	75.1	0	0	0	0	118.5
24	N	29.6	Very low	30.3	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	74%	0.743	S	S	*	*				-173.9	165.9	97.2	-96	-66.1	0	0	0	112.5
25	S	32.2	Very low	30.1	Very low	106 Å²	106	134.7 Å²	134.7	74%	0.741	75%	0.745	S	S	*	*			trans	61.4	131.5	165.4	53.5	0	0	0	0	120.5
26	T	32.3	Very low	29.8	Very low	115 Å²	115	135.3 Å²	135.3	71%	0.706	75%	0.745	S	S	*	*			cis	-162.3	166.2	-27.6	-8.1	0	0	0	0	111.4
27	E	31	Very low	29.7	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	75%	0.752	S	S	*	*			trans	72.3	95.5	148.2	-78.3	155	-135.2	0	0	121.8
28	H	29.1	Very low	29.5	Very low	165 Å²	165	138.1 Å²	138.1	76%	0.764	76%	0.756	S	S	*	*			trans	-37.2	169.8	142.8	-62.8	-85.5	0	0	0	117.2
29	H	32.4	Very low	29.4	Very low	160 Å²	160	138.3 Å²	138.3	74%	0.741	76%	0.763	S	S	*	*			trans	130.6	144	138.5	-69.1	-44.5	0	0	0	113.8
30	I	32.2	Very low	29.3	Very low	130 Å²	130	136.2 Å²	136.2	67%	0.667	76%	0.762	S	S	*	*			cis	-161.2	151.2	-15.5	-125.9	170.9	0	0	0	111.5
31	T	31.3	Very low	29	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	76%	0.762	S	S	*	*			trans	38.9	146.5	159.7	64.7	0	0	0	0	125
32	H	29.6	Very low	29.2	Very low	175 Å²	175	131.4 Å²	131.4	81%	0.81	77%	0.767	S	S	*	*			trans	-54.9	169.9	158.3	-50.8	-86.3	0	0	0	114.7
33	P	34.1	Very low	29.2	Very low	125 Å²	125	129.2 Å²	129.2	81%	0.812	76%	0.761	S	S	*	*				-134.6	171	103.6	39.5	-32.2	0	0	0	115.2
34	P	35.8	Very low	29.4	Very low	107 Å²	107	135.7 Å²	135.7	70%	0.695	77%	0.771	S	S	*	*			trans	-124.5	-169.9	-172.2	44.7	-32.2	0	0	0	115.4
35	F	26.7	Very low	29.1	Very low	181 Å²	181	133.1 Å²	133.1	79%	0.794	76%	0.761	S	S	*	*			trans	76.3	96.5	158	-91.5	-95	0	0	0	121.7
36	T	26.3	Very low	28.8	Very low	102 Å²	102	134.2 Å²	134.2	63%	0.626	76%	0.764	S	S	*	*				66.9	143.1	123.7	61.6	0	0	0	0	124.9
37	K	25.9	Very low	28.5	Very low	205 Å²	205	134.8 Å²	134.8	89%	0.891	77%	0.767	S	S	*	*			trans	65.7	109.9	142.9	-74.6	171.3	178.9	-180	0	118.9
38	G	26.2	Very low	28.2	Very low	83 Å²	83	137.6 Å²	137.6	86%	0.856	77%	0.771	S	S	*	*			trans	-163.6	137.2	159.1	0	0	0	0	0	110.9
39	A	25.6	Very low	28.3	Very low	97 Å²	97	135.5 Å²	135.5	80%	0.802	78%	0.775	S	S	*	*			trans	-93.1	-166.1	175.7	0	0	0	0	0	111.3
40	S	27.5	Very low	28.2	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	77%	0.77	S	S	*	*			trans	75.1	103.7	-174.4	72.5	0	0	0	0	114
41	T	25.6	Very low	28.3	Very low	133 Å²	133	132 Å²	132	82%	0.816	78%	0.777	S	S	*	*				67	81.6	73.3	66.4	0	0	0	0	114.1
42	G	30.4	Very low	28.1	Very low	84 Å²	84	134.3 Å²	134.3	87%	0.866	78%	0.78	S	S	*	*			trans	-109	85.1	166.9	0	0	0	0	0	111.4
43	T	23.9	Very low	28.1	Very low	105 Å²	105	136.5 Å²	136.5	64%	0.644	78%	0.782	S	S	*	*			trans	-95.3	113.2	-179.4	48.5	0	0	0	0	112.8	T45	T43-T45 PolarHBondContact O-OG1 3.23Å
44	Y	30.2	Very low	27.7	Very low	233 Å²	233	135.5 Å²	135.5	91%	0.914	78%	0.778	S	S	*	*			trans	-118.9	96.7	146.7	-79.2	-85	0	0	0	104.7
45	T	24	Very low	27.3	Very low	95 Å²	95	134.2 Å²	134.2	58%	0.583	78%	0.776	S	S	*	*			cis	58.2	141.2	45.7	58.9	0	0	0	0	115.3	T43	T43-T45 PolarHBondContact O-OG1 3.23Å
46	T	24.3	Very low	27.3	Very low	129 Å²	129	130.4 Å²	130.4	79%	0.791	77%	0.773	S	S	*	*			trans	69	126.5	-169.9	68.5	0	0	0	0	114.6
47	T	25.7	Very low	27.3	Very low	127 Å²	127	133.3 Å²	133.3	78%	0.779	78%	0.783	S	S	*	*			cis	-165.8	163.8	-8	20.2	0	0	0	0	108.7
48	R	26.2	Very low	27.3	Very low	229 Å²	229	128.5 Å²	128.5	86%	0.864	78%	0.775	S	S	*	*			cis	170.2	89.7	-23.7	173.1	-161.9	176.7	-179.5	-0.5	108.8
49	S	30.2	Very low	27.5	Very low	121 Å²	121	129.5 Å²	129.5	85%	0.846	77%	0.768	S	S	*	*			trans	173.6	131.8	164.4	46.9	0	0	0	0	105.7
50	G	30.2	Very low	27.6	Very low	62 Å²	62	132.2 Å²	132.2	64%	0.639	77%	0.769	S	S	*	*			cis	112.3	125.9	31	0	0	0	0	0	106.9
51	D	34	Very low	27.9	Very low	155 Å²	155	132 Å²	132	83%	0.829	77%	0.765	S	S	*	*			cis	-139.1	139.8	7.5	-56.7	-51.7	0	0	0	108.6
52	E	27.5	Very low	28.1	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	76%	0.759	S	S	*	*				33.8	113.7	92.1	-69.6	-166.7	173.4	0	0	115.7
53	Y	29.6	Very low	27.9	Very low	221 Å²	221	137.2 Å²	137.2	87%	0.867	76%	0.759	S	S	*	*				-161.7	151.2	101	-114.3	-82.1	0	0	0	113.6
54	S	27	Very low	28.1	Very low	104 Å²	104	137 Å²	137	73%	0.727	76%	0.762	S	S	*	*			trans	-91.8	176.7	179.3	55.3	0	0	0	0	111.1
55	A	27.1	Very low	28	Very low	79 Å²	79	130.6 Å²	130.6	65%	0.653	75%	0.751	S	S	*	*			cis	-176.2	-177.8	38.8	0	0	0	0	0	114.1
56	S	26.5	Very low	28	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	76%	0.764	S	S	*	*			trans	64.7	117.2	156.4	44.9	0	0	0	0	119
57	I	25.4	Very low	28.2	Very low	163 Å²	163	137.1 Å²	137.1	84%	0.836	77%	0.768	S	S	*	*				78.7	107.6	56	-62.2	160.3	0	0	0	113.6
58	S	27	Very low	28.1	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	77%	0.771	S	S	*	*				176.2	144.4	112.4	48.3	0	0	0	0	116.1
59	S	29.9	Very low	27.9	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	77%	0.77	S	S	*	*			trans	43.5	98.8	144.8	61.6	0	0	0	0	122.3
60	N	27	Very low	27.6	Very low	154 Å²	154	138.1 Å²	138.1	82%	0.824	76%	0.764	S	S	*	*				7	160	97.5	-115.7	-18.3	0	0	0	118.3
61	P	34.6	Very low	27.3	Very low	100 Å²	100	140.7 Å²	140.7	65%	0.649	77%	0.767	S	S	*	*			cis	-144.9	-179.7	-2	43	-23.9	0	0	0	117.2
62	S	28.8	Very low	27	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	76%	0.761	S	S	*	*			trans	100.6	129.4	131.1	79.9	0	0	0	0	123.2
63	R	27.4	Very low	27	Very low	230 Å²	230	138.8 Å²	138.8	87%	0.868	76%	0.762	S	S	*	*			trans	88.4	124.1	132.6	-87.1	177.9	175.2	-172.8	-1.8	122.5
64	S	28.1	Very low	26.9	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	75%	0.75	S	S	*	*			trans	82.2	92.7	133.7	59.4	0	0	0	0	121.1
65	S	27.6	Very low	26.8	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	75%	0.753	S	S	*	*				82.2	116.6	109.8	69.4	0	0	0	0	121.7
66	F	24.6	Very low	26.7	Very low	195 Å²	195	137.1 Å²	137.1	86%	0.855	76%	0.764	S	S	*	*			trans	83	147.1	131.6	-95	-99.8	0	0	0	121.2
67	L	27.8	Very low	26.8	Very low	165 Å²	165	136.2 Å²	136.2	86%	0.864	77%	0.77	S	S	*	*			trans	70.1	89.3	170.4	-58.8	175.9	0	0	0	116.7
68	S	23	Very low	27	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	77%	0.771	S	S	*	*			trans	-86.9	141.9	174.5	47.1	0	0	0	0	113.6
69	R	22.6	Very low	27.1	Very low	222 Å²	222	136 Å²	136	84%	0.838	78%	0.776	S	S	*	*			trans	-157.3	140.5	160.7	-114.4	-174.7	-174.2	-162.8	1.8	112.7
70	Q	24.7	Very low	27.3	Very low	156 Å²	156	142 Å²	142	73%	0.729	78%	0.782	S	S	*	*			trans	75.5	119	155.3	-66.3	174.8	-110.4	0	0	121.1
71	V	23.8	Very low	28	Very low	116 Å²	116	138.5 Å²	138.5	70%	0.703	76%	0.764	S	S	*	*				54.9	127.9	126	-162	0	0	0	0	117
72	S	27.3	Very low	28.4	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	75%	0.75	S	S	*	*			cis	-147.9	159.1	48	-50.9	0	0	0	0	115.9
73	F	26.3	Very low	28.8	Very low	181 Å²	181	135.3 Å²	135.3	79%	0.794	74%	0.743	S	S	*	*			trans	3.3	154.1	143.3	-65.8	-88.1	0	0	0	120.8
74	D	29	Very low	29.6	Very low	117 Å²	117	128.5 Å²	128.5	63%	0.626	73%	0.727	S	S	*	*			cis	-152	156.1	34.3	-149.4	10.1	0	0	0	117.7
75	Q	24.5	Very low	30.4	Very low	168 Å²	168	128 Å²	128	79%	0.785	71%	0.714	S	S	*	*	S	Bend	trans	50.6	130.9	164.9	-35.9	-161.6	15.6	0	0	122.4
76	G	25.2	Very low	31.2	Very low	85 Å²	85	126.7 Å²	126.7	88%	0.876	70%	0.702	S	S	*	*			trans	92.5	99.2	169.5	0	0	0	0	0	114.5
77	G	28.9	Very low	32.1	Very low	83 Å²	83	124.2 Å²	124.2	86%	0.856	69%	0.69	S	S	*	*			trans	-162.5	126.1	-176.1	0	0	0	0	0	116.6
78	E	30.1	Very low	33	Very low	181 Å²	181	122.2 Å²	122.2	85%	0.846	68%	0.677	S	S	*	*			trans	-68	141.9	179.9	-52.9	169.8	136.5	0	0	113.5	R80	E78-R80 PolarHBondContact O-N 3.3Å
79	G	28.4	Very low	33.9	Very low	80 Å²	80	124.7 Å²	124.7	83%	0.825	67%	0.667	S	S	*	*			trans	-74.9	52	-179.2	0	0	0	0	0	116	L81	G79-L81 PolarHBondContact O-N 3.14Å
80	R	34.1	Very low	34.9	Very low	229 Å²	229	118.7 Å²	118.7	86%	0.864	65%	0.652	S	S	*	*			trans	-67.8	101.7	-175.3	-159.3	175.6	-166.6	171.6	6.9	112.3	E78 S82	E78-R80 PolarHBondContact O-N 3.3Å; R80-S82 PolarHBondContact O-N 3.4Å
81	L	40.4	Very low	35.7	Very low	82 Å²	82	118.1 Å²	118.1	43%	0.429	65%	0.647	S	S	.	*			trans	-50.7	126.2	-177.3	-70.2	172.3	0	0	0	113	G79 Q85 V86	G79-L81 PolarHBondContact O-N 3.14Å; L81-Q85 HydrophobicContact CD2-CB 4.36Å; L81-V86 HydrophobicContact CB-CG2 3.77Å
82	S	43.1	Very low	36.6	Very low	51 Å²	51	114.9 Å²	114.9	36%	0.357	63%	0.632	S	S	.	*			trans	-64.3	151.8	177.5	69.4	0	0	0	0	111.9	R80 T84 Q85 V86	R80-S82 PolarHBondContact O-N 3.4Å; S82-T84 PolarHBondContact O-N 3.49Å; S82-Q85 VanDerWaalsContact CB-OE1 3.31Å; S82-Q85 PolarHBondContact O-N 3.34Å; S82-Q85 VanDerWaalsContact OG-CD 3.32Å; S82-Q85 WeakPolarHBondContact OG-CG 3.39Å; S82-Q85 PolarHBondContact OG-N 3.5Å; S82-Q85 PolarHBondContact OG-OE1 2.76Å; S82-V86 WeakPolarHBondContact O-CG2 3.46Å; S82-V86 PolarHBondContact O-N 3.25Å
83	S	37.8	Very low	37.1	Very low	79 Å²	79	116.4 Å²	116.4	55%	0.552	62%	0.624	S	S	*	*	H	α-helix	trans	-59.8	-22.3	179.4	79.1	0	0	0	0	113.6	K87	S83-K87 VanDerWaalsContact O-CB 3.24Å; S83-K87 WeakPolarHBondContact O-CB 3.48Å; S83-K87 WeakPolarHBondContact O-CD 3.26Å; S83-K87 WeakPolarHBondContact O-CG 3.3Å; S83-K87 PolarHBondContact O-N 3.01Å
84	T	45.3	Very low	37.6	Very low	87 Å²	87	111.5 Å²	111.5	53%	0.534	61%	0.605	S	S	.	*	H	α-helix	trans	-73.8	-44.5	172	-53.3	0	0	0	0	111.8	S82 K87 Q88	S82-T84 PolarHBondContact O-N 3.49Å; T84-K87 CarbonylContact O-C 3.53Å; T84-K87 PolarHBondContact O-N 3.1Å; T84-Q88 WeakPolarHBondContact O-CB 3.48Å; T84-Q88 WeakPolarHBondContact O-CG 3.46Å; T84-Q88 PolarHBondContact O-N 2.98Å
85	Q	44.9	Very low	38.1	Very low	92 Å²	92	109.5 Å²	109.5	43%	0.43	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-39.5	174.2	-73	158.2	-47.6	0	0	111.5	L81 S82 Q88 R89	L81-Q85 HydrophobicContact CD2-CB 4.36Å; S82-Q85 VanDerWaalsContact CB-OE1 3.31Å; S82-Q85 PolarHBondContact O-N 3.34Å; S82-Q85 VanDerWaalsContact OG-CD 3.32Å; S82-Q85 WeakPolarHBondContact OG-CG 3.39Å; S82-Q85 PolarHBondContact OG-N 3.5Å; S82-Q85 PolarHBondContact OG-OE1 2.76Å; Q85-Q88 PolarHBondContact O-N 3.45Å; Q85-R89 WeakPolarHBondContact O-CB 3.46Å; Q85-R89 PolarHBondContact O-N 3.18Å
86	V	44.4	Very low	38.8	Very low	69 Å²	69	106.4 Å²	106.4	42%	0.418	58%	0.583	S	S	.	*	H	α-helix	trans	-60.7	-48.2	171	176.6	0	0	0	0	110	L81 S82 Q88 R89 L90	L81-V86 HydrophobicContact CB-CG2 3.77Å; S82-V86 WeakPolarHBondContact O-CG2 3.46Å; S82-V86 PolarHBondContact O-N 3.25Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 3Å; V86-R89 PolarHBondContact O-N 2.96Å; V86-L90 WeakPolarHBondContact O-CB 3.43Å; V86-L90 PolarHBondContact O-N 3.38Å
87	K	43.3	Very low	39.6	Very low	143 Å²	143	109.4 Å²	109.4	62%	0.622	57%	0.568	S	S	*	*	H	α-helix	trans	-61.9	-34.6	174.8	-79.1	167.7	-177.7	167.7	0	112.9	S83 T84 K91	S83-K87 VanDerWaalsContact O-CB 3.24Å; S83-K87 WeakPolarHBondContact O-CB 3.48Å; S83-K87 WeakPolarHBondContact O-CD 3.26Å; S83-K87 WeakPolarHBondContact O-CG 3.3Å; S83-K87 PolarHBondContact O-N 3.01Å; T84-K87 CarbonylContact O-C 3.53Å; T84-K87 PolarHBondContact O-N 3.1Å; K87-K91 WeakPolarHBondContact O-CB 3.35Å; K87-K91 PolarHBondContact O-N 3.35Å
88	Q	46.7	Very low	40	Very low	123 Å²	123	114.2 Å²	114.2	58%	0.575	56%	0.56	S	S	*	*	H	α-helix	trans	-72.4	-47.4	176.9	-78.1	172	-22	0	0	112	T84 Q85 V86 K91 A92	T84-Q88 WeakPolarHBondContact O-CB 3.48Å; T84-Q88 WeakPolarHBondContact O-CG 3.46Å; T84-Q88 PolarHBondContact O-N 2.98Å; Q85-Q88 PolarHBondContact O-N 3.45Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 3Å; Q88-K91 CarbonylContact O-C 3.58Å; Q88-K91 PolarHBondContact O-N 3.2Å; Q88-A92 WeakPolarHBondContact O-CB 3.28Å; Q88-A92 PolarHBondContact O-N 2.9Å
89	R	42.3	Very low	40.2	Very low	173 Å²	173	114.7 Å²	114.7	65%	0.653	55%	0.554	S	S	*	*	H	α-helix	trans	-63	-42.5	174.4	-76.4	-174.1	168.3	-171.7	-4.2	111.4	Q85 V86 K91 A92 Y93	Q85-R89 WeakPolarHBondContact O-CB 3.46Å; Q85-R89 PolarHBondContact O-N 3.18Å; V86-R89 PolarHBondContact O-N 2.96Å; R89-K91 PolarHBondContact O-N 3Å; R89-A92 PolarHBondContact O-N 2.98Å; R89-Y93 VanDerWaalsContact O-CB 3.29Å; R89-Y93 WeakPolarHBondContact O-CB 3.36Å; R89-Y93 PolarHBondContact O-N 2.98Å
90	L	43.5	Very low	40.3	Very low	97 Å²	97	114.5 Å²	114.5	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-65.4	-37.2	173.9	-161.8	78.9	0	0	0	111.8	V86 L94	V86-L90 WeakPolarHBondContact O-CB 3.43Å; V86-L90 PolarHBondContact O-N 3.38Å; L90-L94 HydrophobicContact CD2-CD1 4.28Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 HydrophobicContact CG-CG 4.46Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.32Å
91	K	40.9	Very low	40.3	Very low	143 Å²	143	113.9 Å²	113.9	62%	0.622	55%	0.549	S	S	*	.	H	α-helix	trans	-70.2	-33.5	174.9	-169.8	177.1	-173.4	-176.1	0	112.1	K87 Q88 R89 L95	K87-K91 WeakPolarHBondContact O-CB 3.35Å; K87-K91 PolarHBondContact O-N 3.35Å; Q88-K91 CarbonylContact O-C 3.58Å; Q88-K91 PolarHBondContact O-N 3.2Å; R89-K91 PolarHBondContact O-N 3Å; K91-L95 HydrophobicContact CG-CD1 4.16Å; K91-L95 WeakPolarHBondContact O-CB 3.34Å; K91-L95 WeakPolarHBondContact O-CD1 3.27Å; K91-L95 WeakPolarHBondContact O-CG 3.35Å; K91-L95 PolarHBondContact O-N 2.9Å
92	A	41.7	Very low	39.6	Very low	49 Å²	49	115.7 Å²	115.7	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-68.4	-49.3	171.8	0	0	0	0	0	111.2	Q88 R89 L94 L95 N96	Q88-A92 WeakPolarHBondContact O-CB 3.28Å; Q88-A92 PolarHBondContact O-N 2.9Å; R89-A92 PolarHBondContact O-N 2.98Å; A92-L94 PolarHBondContact O-N 3.36Å; A92-L95 PolarHBondContact O-N 3.25Å; A92-L95 VanDerWaalsContact O-N 3.11Å; A92-N96 PolarHBondContact O-N 3.41Å
93	Y	37.8	Very low	39	Very low	133 Å²	133	121.7 Å²	121.7	52%	0.522	59%	0.591	S	S	.	*	H	α-helix	trans	-54.3	-48.8	173.3	-177.5	-103.7	0	0	0	111.4	R89 N96 R97	R89-Y93 VanDerWaalsContact O-CB 3.29Å; R89-Y93 WeakPolarHBondContact O-CB 3.36Å; R89-Y93 PolarHBondContact O-N 2.98Å; Y93-N96 PolarHBondContact O-N 3.15Å; Y93-R97 VanDerWaalsContact O-CB 3.3Å; Y93-R97 WeakPolarHBondContact O-CB 3.44Å; Y93-R97 PolarHBondContact O-N 3.43Å
94	L	38.2	Very low	38.5	Very low	78 Å²	78	123.2 Å²	123.2	41%	0.408	60%	0.602	S	S	.	*	H	α-helix	trans	-72	-25.2	176.7	-69	170.8	0	0	0	114	L90 A92 R98	L90-L94 HydrophobicContact CD2-CD1 4.28Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 HydrophobicContact CG-CG 4.46Å; L90-L94 WeakPolarHBondContact O-CB 3.35Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.32Å; A92-L94 PolarHBondContact O-N 3.36Å; L94-R98 VanDerWaalsContact O-CB 3.22Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.23Å; L94-R98 WeakPolarHBondContact O-CG 3.21Å; L94-R98 PolarHBondContact O-N 3.17Å
95	L	39.3	Very low	37.6	Very low	75 Å²	75	127.3 Å²	127.3	39%	0.393	62%	0.62	S	S	.	*	H	α-helix	trans	-72.3	-40.8	171.9	-85.5	165.6	0	0	0	111.2	K91 A92 R98 R99	K91-L95 HydrophobicContact CG-CD1 4.16Å; K91-L95 WeakPolarHBondContact O-CB 3.34Å; K91-L95 WeakPolarHBondContact O-CD1 3.27Å; K91-L95 WeakPolarHBondContact O-CG 3.35Å; K91-L95 PolarHBondContact O-N 2.9Å; A92-L95 PolarHBondContact O-N 3.25Å; A92-L95 VanDerWaalsContact O-N 3.11Å; L95-R98 PolarHBondContact O-N 3.5Å; L95-R99 WeakPolarHBondContact O-CB 3.46Å; L95-R99 VanDerWaalsContact O-CG 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.25Å; L95-R99 PolarHBondContact O-N 3.49Å
96	N	38.6	Very low	36.8	Very low	102 Å²	102	134.4 Å²	134.4	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-65.8	-47.4	173.2	-67.7	-1.5	0	0	0	109.9	A92 Y93 R98 R99 G100	A92-N96 PolarHBondContact O-N 3.41Å; Y93-N96 PolarHBondContact O-N 3.15Å; N96-R98 PolarHBondContact O-N 3.41Å; N96-R98 VanDerWaalsContact O-N 3.17Å; N96-R99 PolarHBondContact O-N 3.27Å; N96-G100 PolarHBondContact O-N 3.49Å
97	R	42.1	Very low	35.9	Very low	148 Å²	148	138.9 Å²	138.9	56%	0.558	66%	0.659	S	S	*	*	H	α-helix	trans	-64.8	-17.4	175.8	-143.7	176.5	-164	-164.2	7.1	114.5	Y93	Y93-R97 VanDerWaalsContact O-CB 3.3Å; Y93-R97 WeakPolarHBondContact O-CB 3.44Å; Y93-R97 PolarHBondContact O-N 3.43Å
98	R	36.6	Very low	35.1	Very low	185 Å²	185	144.3 Å²	144.3	70%	0.698	68%	0.676	S	S	*	*	H	α-helix	trans	-93.2	-23.6	170.5	-79.5	-178.9	174.7	-154.4	-2.7	113.8	L94 L95 N96 R101	L94-R98 VanDerWaalsContact O-CB 3.22Å; L94-R98 WeakPolarHBondContact O-CB 3.48Å; L94-R98 VanDerWaalsContact O-CG 3.23Å; L94-R98 WeakPolarHBondContact O-CG 3.21Å; L94-R98 PolarHBondContact O-N 3.17Å; L95-R98 PolarHBondContact O-N 3.5Å; N96-R98 PolarHBondContact O-N 3.41Å; N96-R98 VanDerWaalsContact O-N 3.17Å; R98-R101 PolarHBondContact O-N 2.73Å; R98-R101 VanDerWaalsContact O-N 3.16Å
99	R	34	Very low	34	Very low	191 Å²	191	147.9 Å²	147.9	72%	0.721	68%	0.684	S	S	*	*	H	α-helix	trans	-76	-24.6	177.4	-79.2	170.9	172.4	174.7	-4.3	112.8	L95 N96 R101	L95-R99 WeakPolarHBondContact O-CB 3.46Å; L95-R99 VanDerWaalsContact O-CG 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.25Å; L95-R99 PolarHBondContact O-N 3.49Å; N96-R99 PolarHBondContact O-N 3.27Å; R99-R101 PolarHBondContact O-N 2.92Å
100	G	32.2	Very low	33.3	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	13.8	162.7	0	0	0	0	0	115.5	N96	N96-G100 PolarHBondContact O-N 3.49Å
101	R	32.6	Very low	32.6	Very low	216 Å²	216	148.4 Å²	148.4	82%	0.815	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	38.3	179.6	-75.9	-163.1	176.4	-161.9	1.1	113.8	R98 R99	R98-R101 PolarHBondContact O-N 2.73Å; R98-R101 VanDerWaalsContact O-N 3.16Å; R99-R101 PolarHBondContact O-N 2.92Å
102	V	27	Very low	31.9	Very low	120 Å²	120	150.5 Å²	150.5	73%	0.727	72%	0.717	S	S	*	*			trans	-141.7	75.4	173.7	-167.9	0	0	0	0	111.8
103	L	29.4	Very low	31.3	Very low	177 Å²	177	152.9 Å²	152.9	93%	0.927	73%	0.731	S	S	*	*	S	Bend	trans	-159.2	27.8	155.4	-112.9	-172.9	0	0	0	116.8
104	S	28.5	Very low	30.9	Very low	112 Å²	112	153.4 Å²	153.4	78%	0.783	74%	0.743	S	S	*	*			trans	-151.5	64.9	167.3	57.3	0	0	0	0	114	R106	S104-R106 PolarHBondContact O-N 2.78Å
105	N	25.4	Very low	30.4	Very low	172 Å²	172	158.2 Å²	158.2	92%	0.92	76%	0.761	S	S	*	*			trans	-74.1	88.7	170	-94.7	-2.3	0	0	0	111.3
106	R	27.9	Very low	30	Very low	241 Å²	241	161.2 Å²	161.2	91%	0.909	78%	0.777	S	S	*	*			trans	-144.6	132.3	149.2	-100.4	172.2	-152.2	-145	3.5	109	S104	S104-R106 PolarHBondContact O-N 2.78Å
107	H	26.7	Very low	29.6	Very low	163 Å²	163	164.1 Å²	164.1	76%	0.755	79%	0.788	S	S	*	*			trans	-65.3	143.7	-171.7	-75.1	54.7	0	0	0	112
108	W	25.5	Very low	28.9	Very low	258 Å²	258	163.1 Å²	163.1	98%	0.977	79%	0.794	S	S	*	*				-139.8	134.6	120.8	-84.2	108.2	0	0	0	109.7
109	R	23.9	Very low	28.6	Very low	198 Å²	198	161.1 Å²	161.1	75%	0.747	80%	0.796	S	S	*	*			trans	-120.3	128.7	174.7	-123.2	-176.2	170.2	177.1	-5.8	106
110	T	27.8	Very low	28.4	Very low	138 Å²	138	160.4 Å²	160.4	85%	0.847	80%	0.801	S	S	*	*			trans	-150.9	78.8	155.8	49.2	0	0	0	0	107
111	D	29.2	Very low	28.4	Very low	142 Å²	142	165.5 Å²	165.5	76%	0.759	80%	0.804	S	S	*	*			trans	-74.4	157.1	151.8	-60.3	-63.5	0	0	0	107.6
112	E	26.4	Very low	28.6	Very low	187 Å²	187	161.2 Å²	161.2	87%	0.874	80%	0.804	S	S	*	*			trans	-81.1	178	-179.7	-60.6	179	131.1	0	0	112.6
113	S	28.9	Very low	28.8	Very low	100 Å²	100	158.9 Å²	158.9	70%	0.699	80%	0.804	S	S	*	*			trans	77.2	105.4	170.8	66	0	0	0	0	119.9
114	D	28	Very low	28.8	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	79%	0.794	S	S	*	*				72	151.7	122.3	-50.8	-19.7	0	0	0	124.1
115	F	29	Very low	29	Very low	180 Å²	180	157.3 Å²	157.3	79%	0.789	80%	0.796	S	S	*	*			trans	83.3	95.4	168.2	-70.5	-77	0	0	0	121.1
116	D	30.9	Very low	29.3	Very low	137 Å²	137	154.7 Å²	154.7	73%	0.733	79%	0.791	S	S	*	*				50.7	110.1	127.3	-66	-19.7	0	0	0	122.1
117	E	28.9	Very low	29.4	Very low	163 Å²	163	146.8 Å²	146.8	76%	0.762	79%	0.785	S	S	*	*				57.1	114.2	120.4	-68.5	-141.5	149.2	0	0	122.4
118	N	29.2	Very low	29.7	Very low	128 Å²	128	146.9 Å²	146.9	68%	0.684	79%	0.786	S	S	*	*				90.9	143.7	122.4	-75.1	-34.8	0	0	0	122.4
119	L	28.7	Very low	30	Very low	143 Å²	143	142.3 Å²	142.3	75%	0.749	78%	0.775	S	S	*	*			trans	85.5	93.3	162.1	-63	162.4	0	0	0	121.1
120	E	30.5	Very low	30.2	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.822	78%	0.777	S	S	*	*				75.9	110.7	120.7	-68.8	176.6	176.4	0	0	123.5
121	H	32.3	Very low	30.2	Very low	182 Å²	182	137 Å²	137	84%	0.843	77%	0.773	S	S	*	*			trans	-31.1	177.3	146.2	-67.9	-57.8	0	0	0	119.2
122	P	36.6	Very low	30.1	Very low	126 Å²	126	134 Å²	134	82%	0.818	76%	0.763	S	S	*	*			cis	-138.1	-170.6	-38.8	38.6	-21	0	0	0	112.7
123	G	30.2	Very low	30.3	Very low	70 Å²	70	132.6 Å²	132.6	72%	0.722	76%	0.756	S	S	*	*			trans	179.2	75.4	170.3	0	0	0	0	0	120.5
124	S	30.2	Very low	30.3	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	76%	0.758	S	S	*	*			trans	29.4	141	141.5	59.9	0	0	0	0	125.2
125	D	31.9	Very low	30.3	Very low	153 Å²	153	132.7 Å²	132.7	82%	0.818	75%	0.751	S	S	*	*			trans	73.9	151.2	139.5	-69.5	-8.2	0	0	0	122.3
126	S	31.5	Very low	30.3	Very low	116 Å²	116	130 Å²	130	81%	0.811	75%	0.745	S	S	*	*			cis	-166.4	167.5	-22.5	57.8	0	0	0	0	110.8
127	G	31.5	Very low	30.3	Very low	76 Å²	76	130.1 Å²	130.1	78%	0.784	74%	0.741	S	S	*	*			trans	166.7	129.7	170.5	0	0	0	0	0	114.2
128	Q	32	Very low	30.2	Very low	164 Å²	164	132 Å²	132	77%	0.766	74%	0.741	S	S	*	*			trans	-120.8	146.7	-165.4	-58.8	172.2	-59.2	0	0	114.2
129	H	31.5	Very low	30.2	Very low	162 Å²	162	133.2 Å²	133.2	75%	0.75	74%	0.742	S	S	*	*				158.6	137.8	110.4	-82.2	-60.3	0	0	0	112.7
130	G	29.4	Very low	30	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	74%	0.744	S	S	*	*			trans	169.5	75.6	-179.3	0	0	0	0	0	112.6
131	I	26.9	Very low	29.8	Very low	148 Å²	148	126.8 Å²	126.8	76%	0.759	73%	0.733	S	S	*	*			trans	-82.8	115.3	-165.8	-78.4	174.1	0	0	0	112.6
132	S	28.1	Very low	29.6	Very low	79 Å²	79	125.7 Å²	125.7	55%	0.552	73%	0.734	S	S	*	*				42.7	170.4	125.1	78.1	0	0	0	0	121.6
133	H	30.5	Very low	29.2	Very low	156 Å²	156	125.2 Å²	125.2	72%	0.722	73%	0.734	S	S	*	*			cis	-136	-168.5	11.4	-91.2	-67.1	0	0	0	110.2
134	I	28	Very low	29.3	Very low	142 Å²	142	127.7 Å²	127.7	73%	0.728	74%	0.737	S	S	*	*			cis	-149.1	132.1	9	-131.2	139.4	0	0	0	105.8
135	V	29.1	Very low	29.2	Very low	104 Å²	104	127.6 Å²	127.6	63%	0.63	74%	0.736	S	S	*	*				67.8	129.2	79.2	167.5	0	0	0	0	113.1
136	D	29.1	Very low	28.9	Very low	123 Å²	123	130.4 Å²	130.4	66%	0.658	74%	0.741	S	S	*	*			cis	-174.8	-174.3	-18.3	-114.4	-55.7	0	0	0	107.3
137	H	29.4	Very low	28.5	Very low	140 Å²	140	128.7 Å²	128.7	65%	0.648	73%	0.729	S	S	*	*			cis	-160	-168.5	9.5	-128.1	15.5	0	0	0	106.8
138	W	27.9	Very low	28.2	Very low	201 Å²	201	133.6 Å²	133.6	76%	0.761	73%	0.732	S	S	*	*			cis	-157.4	-158.1	5.3	-143.5	11.8	0	0	0	114.3
139	H	28.3	Very low	27.9	Very low	154 Å²	154	138 Å²	138	71%	0.713	74%	0.741	S	S	*	*			trans	-79.4	177.1	177.7	-64.7	-37.2	0	0	0	116.1
140	S	25.7	Very low	27.6	Very low	111 Å²	111	135 Å²	135	78%	0.776	73%	0.731	S	S	*	*			cis	-177.9	176.6	-19	177.8	0	0	0	0	109.6
141	A	26.2	Very low	27.5	Very low	74 Å²	74	139.5 Å²	139.5	61%	0.612	74%	0.736	S	S	*	*			trans	88.6	112	156.9	0	0	0	0	0	121
142	D	27	Very low	27.4	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	74%	0.738	S	S	*	*				71.7	133.1	122	-48.9	-22.8	0	0	0	124.6
143	S	29.8	Very low	27.4	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	75%	0.753	S	S	*	*			trans	-71.7	174.4	170.8	-16.5	0	0	0	0	112.7
144	P	31.9	Very low	27.3	Very low	122 Å²	122	139.3 Å²	139.3	79%	0.792	75%	0.754	S	S	*	*			cis	-145.8	-173.3	43.7	41.3	-19	0	0	0	118
145	S	26.7	Very low	27.4	Very low	101 Å²	101	139 Å²	139	71%	0.706	75%	0.754	S	S	*	*			trans	-51.3	153.3	-179.5	54.9	0	0	0	0	118.4
146	F	26.2	Very low	27.2	Very low	212 Å²	212	140.7 Å²	140.7	93%	0.93	76%	0.759	S	S	*	*			trans	-146.3	173.5	131.7	-119.3	-81.4	0	0	0	111.6
147	S	24.3	Very low	27.1	Very low	80 Å²	80	142.2 Å²	142.2	56%	0.559	77%	0.766	S	S	*	*			trans	-120.4	153.8	-156.4	56.7	0	0	0	0	115.8
148	E	23.8	Very low	27.1	Very low	179 Å²	179	138.4 Å²	138.4	84%	0.836	76%	0.759	S	S	*	*			trans	63.6	143.4	165.4	-62.1	-177.8	124.6	0	0	117.6
149	W	27.2	Very low	27.2	Very low	256 Å²	256	136.3 Å²	136.3	97%	0.97	76%	0.757	S	S	*	*				179.9	152.8	119.4	-97.2	91.3	0	0	0	107.7
150	D	25	Very low	27.3	Very low	101 Å²	101	135.1 Å²	135.1	54%	0.54	75%	0.752	S	S	.	*			trans	-107.9	153.8	-165.2	-143.3	-25.9	0	0	0	111.1	K863	D150-K863 IonicContact OD2-NZ 3.73Å; D150-K863 PolarHBondContact OD2-NZ 2.97Å
151	L	25.7	Very low	27.6	Very low	171 Å²	171	136.3 Å²	136.3	90%	0.895	75%	0.745	S	S	*	*			trans	69.8	144.4	170.6	-48.3	170.4	0	0	0	119.6
152	G	25.5	Very low	27.9	Very low	78 Å²	78	140.3 Å²	140.3	80%	0.804	75%	0.75	S	S	*	*			trans	145.9	126.3	161.7	0	0	0	0	0	115.2
153	D	27.9	Very low	28	Very low	164 Å²	164	136.8 Å²	136.8	88%	0.877	74%	0.739	S	S	*	*			trans	-85.6	173.8	175	-84.1	-62.9	0	0	0	113.5
154	D	29	Very low	27.8	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	74%	0.743	S	S	*	*			trans	73.9	93.3	158.9	-84.5	-45.6	0	0	0	121
155	N	28.9	Very low	27.9	Very low	135 Å²	135	138 Å²	138	72%	0.722	73%	0.728	S	S	*	*				74.3	151.9	115.1	-93.7	-58.7	0	0	0	122.7
156	L	26.7	Very low	28.4	Very low	141 Å²	141	139.2 Å²	139.2	74%	0.738	73%	0.726	S	S	*	*			trans	71.5	105.7	162.4	-64.1	154.2	0	0	0	120
157	L	26.7	Very low	28.8	Very low	155 Å²	155	134 Å²	134	81%	0.812	71%	0.708	S	S	*	*				64.5	138.5	129.1	-59.8	175.8	0	0	0	120.3
158	A	28.3	Very low	29.3	Very low	60 Å²	60	136.3 Å²	136.3	50%	0.496	71%	0.711	S	S	.	*			cis	-170.6	174.1	-9.3	0	0	0	0	0	111.7
159	H	31.4	Very low	29.9	Very low	156 Å²	156	133 Å²	133	72%	0.722	70%	0.696	S	S	*	*			trans	73.6	144.2	147.9	-64.5	-27.5	0	0	0	117.9
160	Q	29.9	Very low	30.3	Very low	130 Å²	130	129.2 Å²	129.2	61%	0.607	68%	0.682	S	S	*	*			cis	-165.3	165.1	-10	-128.1	163.9	-18	0	0	113.8
161	H	32.2	Very low	30.9	Very low	136 Å²	136	130.1 Å²	130.1	63%	0.63	68%	0.681	S	S	*	*			trans	90.6	141.1	155.5	-57.6	-51.9	0	0	0	117.4
162	H	31.9	Very low	31.5	Very low	157 Å²	157	126.3 Å²	126.3	73%	0.727	66%	0.661	S	S	*	*			cis	-165	168.3	-10.7	-118.1	-35.7	0	0	0	107.5
163	S	28.4	Very low	32.2	Very low	86 Å²	86	125.4 Å²	125.4	60%	0.601	65%	0.645	S	S	*	*			cis	-160.1	179.2	-6.4	-160.1	0	0	0	0	109.2
164	L	27.1	Very low	32.7	Very low	171 Å²	171	122.8 Å²	122.8	90%	0.895	63%	0.631	S	S	*	*	S	Bend	trans	67.8	68.8	164.3	-61.4	166.8	0	0	0	118.8
165	D	34	Very low	32.9	Very low	91 Å²	91	122.6 Å²	122.6	49%	0.487	62%	0.624	S	S	.	*	S	Bend	trans	-166	-28.4	137.1	-161.1	30.5	0	0	0	113	D167 M168 Q169	D165-D167 VanDerWaalsContact C-N 3.25Å; D165-D167 PolarHBondContact O-N 3.46Å; D165-M168 PolarHBondContact O-N 2.97Å; D165-Q169 PolarHBondContact OD2-NE2 3.49Å
166	L	36.6	Very low	33.2	Very low	127 Å²	127	120.1 Å²	120.1	67%	0.665	61%	0.611	S	S	*	*	H	α-helix	trans	-64.1	-12.5	-166.9	-72.5	166.2	0	0	0	117.3	R170	L166-R170 WeakPolarHBondContact O-CB 3.36Å; L166-R170 WeakPolarHBondContact O-CG 3.48Å; L166-R170 PolarHBondContact O-N 3.14Å
167	D	33.8	Very low	33.7	Very low	103 Å²	103	116 Å²	116	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-82.5	-32.8	177.6	-173.5	56.6	0	0	0	112.3	D165 K171	D165-D167 VanDerWaalsContact C-N 3.25Å; D165-D167 PolarHBondContact O-N 3.46Å; D167-K171 VanDerWaalsContact CG-NZ 3.29Å; D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CD 3.18Å; D167-K171 WeakPolarHBondContact O-CG 3.45Å; D167-K171 PolarHBondContact O-N 3.04Å; D167-K171 VanDerWaalsContact O-N 3.09Å; D167-K171 WeakPolarHBondContact OD1-CE 3.18Å; D167-K171 IonicContact OD1-NZ 3.24Å; D167-K171 PolarHBondContact OD1-NZ 2.85Å; D167-K171 IonicContact OD2-NZ 2.54Å; D167-K171 PolarHBondContact OD2-NZ 2.89Å
168	M	34.4	Very low	33.9	Very low	128 Å²	128	111.8 Å²	111.8	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-77.1	-37.6	175.7	-157.2	173.3	83.7	0	0	111.2	D165 K171 L172	D165-M168 PolarHBondContact O-N 2.97Å; M168-K171 PolarHBondContact O-N 2.98Å; M168-L172 HydrophobicContact CG-CD1 3.96Å; M168-L172 WeakPolarHBondContact O-CD1 3.41Å; M168-L172 PolarHBondContact O-N 2.92Å
169	Q	37.9	Very low	34.1	Very low	110 Å²	110	113.6 Å²	113.6	51%	0.514	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-38.6	174.5	-62.3	-167.1	12.3	0	0	112.5	D165 L172 A173	D165-Q169 PolarHBondContact OD2-NE2 3.49Å; Q169-L172 PolarHBondContact O-N 3.31Å; Q169-A173 WeakPolarHBondContact O-CB 3.34Å; Q169-A173 PolarHBondContact O-N 3.04Å
170	R	35.9	Very low	34	Very low	177 Å²	177	113.8 Å²	113.8	67%	0.668	58%	0.58	S	S	*	*	H	α-helix	trans	-65.4	-44.8	171.9	-78	-177.6	177.2	-162.8	-2.3	111.8	L166 L172 A173 D174	L166-R170 WeakPolarHBondContact O-CB 3.36Å; L166-R170 WeakPolarHBondContact O-CG 3.48Å; L166-R170 PolarHBondContact O-N 3.14Å; R170-L172 VanDerWaalsContact C-N 3.33Å; R170-L172 PolarHBondContact O-N 3.37Å; R170-A173 PolarHBondContact O-N 3.07Å; R170-A173 VanDerWaalsContact O-N 3.09Å; R170-D174 WeakPolarHBondContact O-CB 3.41Å; R170-D174 VanDerWaalsContact O-CG 3.31Å; R170-D174 PolarHBondContact O-N 3.32Å
171	K	36.7	Very low	34	Very low	119 Å²	119	111.6 Å²	111.6	52%	0.517	58%	0.579	S	S	.	*	H	α-helix	trans	-63.8	-34	176.2	-74	165.6	-175.4	165.1	0	113	D167 M168 F175	D167-K171 VanDerWaalsContact CG-NZ 3.29Å; D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CD 3.18Å; D167-K171 WeakPolarHBondContact O-CG 3.45Å; D167-K171 PolarHBondContact O-N 3.04Å; D167-K171 VanDerWaalsContact O-N 3.09Å; D167-K171 WeakPolarHBondContact OD1-CE 3.18Å; D167-K171 IonicContact OD1-NZ 3.24Å; D167-K171 PolarHBondContact OD1-NZ 2.85Å; D167-K171 IonicContact OD2-NZ 2.54Å; D167-K171 PolarHBondContact OD2-NZ 2.89Å; M168-K171 PolarHBondContact O-N 2.98Å; K171-F175 WeakPolarHBondContact O-CB 3.48Å; K171-F175 PolarHBondContact O-N 3.02Å
172	L	38.5	Very low	33.7	Very low	92 Å²	92	110.5 Å²	110.5	48%	0.482	58%	0.582	S	S	.	*	H	α-helix	trans	-71.9	-35	170.2	-96.3	85.7	0	0	0	113	M168 Q169 R170 N176	M168-L172 HydrophobicContact CG-CD1 3.96Å; M168-L172 WeakPolarHBondContact O-CD1 3.41Å; M168-L172 PolarHBondContact O-N 2.92Å; Q169-L172 PolarHBondContact O-N 3.31Å; R170-L172 VanDerWaalsContact C-N 3.33Å; R170-L172 PolarHBondContact O-N 3.37Å; L172-N176 WeakPolarHBondContact O-CB 3.34Å; L172-N176 PolarHBondContact O-N 3.34Å; L172-N176 PolarHBondContact O-ND2 3.17Å
173	A	40.2	Very low	33.5	Very low	58 Å²	58	108.9 Å²	108.9	48%	0.479	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-46.4	174.6	0	0	0	0	0	111.2	Q169 R170 N176 A177	Q169-A173 WeakPolarHBondContact O-CB 3.34Å; Q169-A173 PolarHBondContact O-N 3.04Å; R170-A173 PolarHBondContact O-N 3.07Å; R170-A173 VanDerWaalsContact O-N 3.09Å; A173-N176 PolarHBondContact O-N 3.03Å; A173-A177 VanDerWaalsContact O-CB 3.25Å; A173-A177 WeakPolarHBondContact O-CB 3.41Å; A173-A177 PolarHBondContact O-N 2.85Å
174	D	38	Very low	33.3	Very low	109 Å²	109	111.9 Å²	111.9	58%	0.583	60%	0.595	S	S	*	*	H	α-helix	trans	-67.6	-35.5	177	-65.8	-30.2	0	0	0	111.8	R170 A177 S178	R170-D174 WeakPolarHBondContact O-CB 3.41Å; R170-D174 VanDerWaalsContact O-CG 3.31Å; R170-D174 PolarHBondContact O-N 3.32Å; D174-A177 PolarHBondContact O-N 3.48Å; D174-S178 WeakPolarHBondContact O-CB 3.41Å; D174-S178 PolarHBondContact O-N 3.48Å
175	F	33.4	Very low	33.2	Very low	133 Å²	133	109.5 Å²	109.5	58%	0.583	59%	0.593	S	S	*	*	H	α-helix	trans	-67.6	-44.1	173.2	-174.2	-110.5	0	0	0	111.9	K171 A177 S178 I179	K171-F175 WeakPolarHBondContact O-CB 3.48Å; K171-F175 PolarHBondContact O-N 3.02Å; F175-A177 VanDerWaalsContact C-N 3.34Å; F175-S178 PolarHBondContact O-N 3.4Å; F175-I179 HydrophobicContact CD1-CD1 3.83Å; F175-I179 HydrophobicContact CD2-CD1 4.5Å; F175-I179 HydrophobicContact CE1-CD1 3.51Å; F175-I179 HydrophobicContact CE2-CD1 4.23Å; F175-I179 HydrophobicContact CG-CD1 4.32Å; F175-I179 HydrophobicContact CZ-CD1 3.74Å; F175-I179 WeakPolarHBondContact O-CB 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.47Å; F175-I179 PolarHBondContact O-N 3.29Å
176	N	35.8	Very low	32.9	Very low	84 Å²	84	110.6 Å²	110.6	45%	0.449	61%	0.608	S	S	.	*	H	α-helix	trans	-68.3	-31.9	173.9	-80.5	-71.8	0	0	0	112.7	L172 A173 K180	L172-N176 WeakPolarHBondContact O-CB 3.34Å; L172-N176 PolarHBondContact O-N 3.34Å; L172-N176 PolarHBondContact O-ND2 3.17Å; A173-N176 PolarHBondContact O-N 3.03Å; N176-K180 VanDerWaalsContact O-CB 3.32Å; N176-K180 WeakPolarHBondContact O-CB 3.44Å; N176-K180 WeakPolarHBondContact O-CG 3.37Å; N176-K180 PolarHBondContact O-N 3.23Å
177	A	36.1	Very low	32.4	Very low	55 Å²	55	111.7 Å²	111.7	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-71	-37.2	172.2	0	0	0	0	0	111.9	A173 D174 F175 K180 S181	A173-A177 VanDerWaalsContact O-CB 3.25Å; A173-A177 WeakPolarHBondContact O-CB 3.41Å; A173-A177 PolarHBondContact O-N 2.85Å; D174-A177 PolarHBondContact O-N 3.48Å; F175-A177 VanDerWaalsContact C-N 3.34Å; A177-K180 CarbonylContact O-C 3.57Å; A177-K180 PolarHBondContact O-N 3.38Å; A177-S181 VanDerWaalsContact O-CB 3.32Å; A177-S181 WeakPolarHBondContact O-CB 3.39Å; A177-S181 PolarHBondContact O-N 2.8Å; A177-S181 PolarHBondContact O-OG 2.9Å
178	S	31.4	Very low	32	Very low	65 Å²	65	114.3 Å²	114.3	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-65.7	-43.8	174.2	-175.9	0	0	0	0	111.7	D174 F175 K180 S181 T182	D174-S178 WeakPolarHBondContact O-CB 3.41Å; D174-S178 PolarHBondContact O-N 3.48Å; F175-S178 PolarHBondContact O-N 3.4Å; S178-K180 VanDerWaalsContact C-N 3.35Å; S178-K180 PolarHBondContact O-N 3.05Å; S178-S181 WeakPolarHBondContact CA-OG 3.44Å; S178-S181 PolarHBondContact O-N 2.94Å; S178-S181 PolarHBondContact O-OG 3.5Å; S178-T182 PolarHBondContact O-N 3.11Å; S178-T182 PolarHBondContact O-OG1 2.89Å
179	I	31.5	Very low	31.6	Very low	99 Å²	99	116.4 Å²	116.4	51%	0.508	64%	0.636	S	S	.	*	H	α-helix	trans	-65.7	-37.6	174.6	-70.1	170.7	0	0	0	111	F175 S181	F175-I179 HydrophobicContact CD1-CD1 3.83Å; F175-I179 HydrophobicContact CD2-CD1 4.5Å; F175-I179 HydrophobicContact CE1-CD1 3.51Å; F175-I179 HydrophobicContact CE2-CD1 4.23Å; F175-I179 HydrophobicContact CG-CD1 4.32Å; F175-I179 HydrophobicContact CZ-CD1 3.74Å; F175-I179 WeakPolarHBondContact O-CB 3.29Å; F175-I179 WeakPolarHBondContact O-CG1 3.47Å; F175-I179 PolarHBondContact O-N 3.29Å; I179-S181 PolarHBondContact O-N 3.44Å
180	K	31.2	Very low	31	Very low	159 Å²	159	120 Å²	120	69%	0.691	65%	0.653	S	S	*	*	H	α-helix	trans	-77.8	-10	174.7	-75	-177.3	175.5	179.4	0	115.3	N176 A177 S178	N176-K180 VanDerWaalsContact O-CB 3.32Å; N176-K180 WeakPolarHBondContact O-CB 3.44Å; N176-K180 WeakPolarHBondContact O-CG 3.37Å; N176-K180 PolarHBondContact O-N 3.23Å; A177-K180 CarbonylContact O-C 3.57Å; A177-K180 PolarHBondContact O-N 3.38Å; S178-K180 VanDerWaalsContact C-N 3.35Å; S178-K180 PolarHBondContact O-N 3.05Å
181	S	28.8	Very low	30.6	Very low	85 Å²	85	118.6 Å²	118.6	59%	0.594	66%	0.657	S	S	*	*	H	α-helix	trans	-102.8	-0.7	177.2	49.1	0	0	0	0	114.2	A177 S178 I179	A177-S181 VanDerWaalsContact O-CB 3.32Å; A177-S181 WeakPolarHBondContact O-CB 3.39Å; A177-S181 PolarHBondContact O-N 2.8Å; A177-S181 PolarHBondContact O-OG 2.9Å; S178-S181 WeakPolarHBondContact CA-OG 3.44Å; S178-S181 PolarHBondContact O-N 2.94Å; S178-S181 PolarHBondContact O-OG 3.5Å; I179-S181 PolarHBondContact O-N 3.44Å
182	T	26.7	Very low	30.1	Very low	113 Å²	113	118 Å²	118	69%	0.693	67%	0.667	S	S	*	*	S	Bend	trans	-105.6	11.5	178	-40.1	0	0	0	0	113.6	S178	S178-T182 PolarHBondContact O-N 3.11Å; S178-T182 PolarHBondContact O-OG1 2.89Å
183	C	26.2	Very low	29.4	Very low	122 Å²	122	122 Å²	122	82%	0.824	68%	0.683	S	S	*	*	S	Bend	trans	-140	44.8	168.9	-88.6	0	0	0	0	111.7
184	L	24.9	Very low	28.7	Very low	149 Å²	149	124.2 Å²	124.2	78%	0.78	70%	0.695	S	S	*	*			trans	-139.5	63.3	177.5	-112.2	170.3	0	0	0	112.2
185	S	24.7	Very low	28.1	Very low	121 Å²	121	127.2 Å²	127.2	85%	0.846	71%	0.71	S	S	*	*			trans	-164.8	150.2	159.3	49	0	0	0	0	108.2
186	S	28.4	Very low	27.6	Very low	114 Å²	114	125.4 Å²	125.4	80%	0.797	71%	0.714	S	S	*	*			cis	-141	158.2	18.9	47.3	0	0	0	0	114.5
187	N	25.9	Very low	27.1	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	73%	0.73	S	S	*	*			trans	-52	150.9	176	-41.4	-42.4	0	0	0	114.2
188	L	26.5	Very low	26.5	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	74%	0.74	S	S	*	*			trans	-157.4	60.8	141.9	-117.5	177.2	0	0	0	113.9
189	E	24.3	Very low	26.3	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	76%	0.756	S	S	*	*	S	Bend	trans	-106.6	143.9	157.9	-72.9	-165.3	151	0	0	110.5
190	H	25.6	Very low	25.9	Very low	186 Å²	186	135.6 Å²	135.6	86%	0.861	77%	0.766	S	S	*	*			trans	60.9	53.4	166.1	-78.2	-76.5	0	0	0	120
191	I	27.5	Very low	25.6	Very low	147 Å²	147	132.5 Å²	132.5	75%	0.754	76%	0.764	S	S	*	*			trans	-139.4	125.3	153.6	-57.9	-177.5	0	0	0	107.8
192	S	27.1	Very low	25.6	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	78%	0.775	S	S	*	*			cis	-149.7	179.7	-7.5	62.7	0	0	0	0	111
193	H	24.3	Very low	25.7	Very low	178 Å²	178	137.8 Å²	137.8	82%	0.824	78%	0.78	S	S	*	*			trans	-73.2	158	165.8	-99.1	-116.7	0	0	0	112.5
194	S	24.1	Very low	25.8	Very low	104 Å²	104	138 Å²	138	73%	0.727	78%	0.78	S	S	*	*			trans	57.8	129	165.6	63	0	0	0	0	116.6
195	L	26.2	Very low	25.8	Very low	172 Å²	172	135.7 Å²	135.7	90%	0.901	78%	0.776	S	S	*	*			cis	-139.5	166.8	43.6	-87.3	162	0	0	0	114
196	S	22.8	Very low	26	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	78%	0.777	S	S	*	*			trans	-97.2	175.1	-179	56.1	0	0	0	0	113.1
197	L	24.4	Very low	26	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	78%	0.776	S	S	*	*			trans	76.8	106.5	158.2	-67.3	161.9	0	0	0	119.6
198	S	24.4	Very low	26.2	Very low	94 Å²	94	138.9 Å²	138.9	66%	0.657	77%	0.774	S	S	*	*				96.8	133.9	113.5	75.2	0	0	0	0	121.9
199	Q	26.8	Very low	26.3	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	77%	0.769	S	S	*	*			trans	72.2	88	135.9	-73	173.8	6.1	0	0	121.3
200	S	23.7	Very low	26.6	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	77%	0.766	S	S	*	*				68.3	143.3	111.4	63.6	0	0	0	0	122.9
201	S	24.6	Very low	26.7	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	76%	0.759	S	S	*	*			trans	61.5	119.6	156.2	59.1	0	0	0	0	117.2
202	N	29.3	Very low	26.6	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	76%	0.764	S	S	*	*				-159.7	158.3	65	-84.3	-66.3	0	0	0	113.5
203	I	27.9	Very low	26.6	Very low	156 Å²	156	137.5 Å²	137.5	80%	0.8	77%	0.769	S	S	*	*			trans	-111.8	147.1	168.9	-52.6	168.4	0	0	0	107.6
204	P	28.1	Very low	26.9	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	76%	0.764	S	S	*	*			trans	-135.3	148.5	130.3	17	3.6	0	0	0	114.1
205	S	26.3	Very low	27.1	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	77%	0.772	S	S	*	*			trans	-101.6	148.6	-177	55.2	0	0	0	0	113.5
206	F	27.8	Very low	27.2	Very low	200 Å²	200	139.2 Å²	139.2	88%	0.877	77%	0.767	S	S	*	*			trans	-153.4	150.6	156.3	-92.7	-92	0	0	0	110.2
207	N	29.4	Very low	27.7	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	77%	0.774	S	S	*	*			cis	-162.2	168.3	-38.8	-160.6	2	0	0	0	108.4
208	S	28.5	Very low	27.8	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	78%	0.781	S	S	*	*			trans	-102.9	123.1	-173.4	52.6	0	0	0	0	115.8
209	A	28.5	Very low	28.1	Very low	88 Å²	88	146.7 Å²	146.7	73%	0.727	79%	0.787	S	S	*	*			trans	-170	141.7	166.8	0	0	0	0	0	107.1
210	N	31.7	Very low	28.2	Very low	137 Å²	137	145.1 Å²	145.1	73%	0.733	78%	0.784	S	S	*	*			cis	-138.5	135.3	14.4	-84.8	-47.9	0	0	0	109.4
211	I	27	Very low	28.3	Very low	139 Å²	139	148.1 Å²	148.1	71%	0.713	79%	0.791	S	S	*	*				69.4	101.7	87.6	-59.4	176.6	0	0	0	115.4
212	K	25.4	Very low	28.4	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.865	79%	0.791	S	S	*	*			trans	32.2	90.2	134.8	-54.5	175.6	-179.1	176	0	119.5
213	E	28	Very low	28.2	Very low	177 Å²	177	147 Å²	147	83%	0.827	79%	0.791	S	S	*	*			trans	-160.7	139.6	147	-101.2	-173.2	162.7	0	0	106.7
214	L	29.9	Very low	28.1	Very low	139 Å²	139	145.2 Å²	145.2	73%	0.728	79%	0.787	S	S	*	*			cis	-134.9	146.7	0.4	-83.3	134.8	0	0	0	110.6
215	N	27.5	Very low	27.8	Very low	168 Å²	168	147.2 Å²	147.2	90%	0.898	79%	0.79	S	S	*	*			trans	-118	105.8	170.2	-115.9	-28.7	0	0	0	109.1
216	K	28.4	Very low	27.7	Very low	182 Å²	182	145.7 Å²	145.7	79%	0.791	79%	0.79	S	S	*	*			trans	-178.1	137.5	177.4	-101.5	162.9	-175.8	-178.6	0	105.6
217	E	33.8	Very low	27.5	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	78%	0.784	S	S	*	*			cis	-134.5	126.1	12.8	-56.6	-178.6	131.9	0	0	108
218	R	27.5	Very low	27.2	Very low	247 Å²	247	140.8 Å²	140.8	93%	0.932	79%	0.786	S	S	*	*				60	118.9	88.9	-84.9	-170.3	168.9	-167.7	-4.8	115.7
219	G	29.4	Very low	27	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	79%	0.788	S	S	*	*			trans	-170.6	31.5	-178	0	0	0	0	0	115.9
220	D	29	Very low	26.8	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	79%	0.793	S	S	*	*			trans	62.6	126.2	154.9	-69	-2.5	0	0	0	125.3
221	I	27.1	Very low	26.5	Very low	164 Å²	164	139.9 Å²	139.9	84%	0.841	79%	0.786	S	S	*	*			trans	74.9	138.7	142.5	-59.9	162.7	0	0	0	118.8
222	G	26.3	Very low	26.4	Very low	65 Å²	65	142.7 Å²	142.7	67%	0.67	80%	0.796	S	S	*	*			trans	-170.6	-71.8	176	0	0	0	0	0	117.1
223	I	24.4	Very low	26.4	Very low	159 Å²	159	143.9 Å²	143.9	82%	0.815	80%	0.795	S	S	*	*			trans	64.8	117.2	166.2	-69.6	177.7	0	0	0	118.7
224	V	25.5	Very low	26.3	Very low	118 Å²	118	144 Å²	144	72%	0.715	80%	0.795	S	S	*	*			trans	79.9	108.4	147.8	172.1	0	0	0	0	121.8
225	L	23.3	Very low	26.4	Very low	169 Å²	169	142.1 Å²	142.1	89%	0.885	79%	0.791	S	S	*	*				24.8	137	128.4	-46.6	167	0	0	0	121.1
226	G	23.9	Very low	26.6	Very low	68 Å²	68	138.9 Å²	138.9	70%	0.701	77%	0.774	S	S	*	*			trans	148.4	105.6	143.8	0	0	0	0	0	117.3
227	S	23.1	Very low	26.7	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	76%	0.764	S	S	*	*			trans	25	131.9	148	55.4	0	0	0	0	122.2
228	T	22.1	Very low	26.6	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	76%	0.759	S	S	*	*			trans	56.7	115	148.2	53.5	0	0	0	0	119.7
229	V	25.6	Very low	26.9	Very low	133 Å²	133	129.2 Å²	129.2	81%	0.806	74%	0.743	S	S	*	*				-177.1	146.3	123	142.5	0	0	0	0	108.4
230	A	23.6	Very low	26.9	Very low	101 Å²	101	129.8 Å²	129.8	84%	0.835	73%	0.728	S	S	*	*			trans	-73.4	133.4	172.9	0	0	0	0	0	110.6
231	S	25.8	Very low	27.2	Very low	83 Å²	83	126.5 Å²	126.5	58%	0.58	71%	0.713	S	S	*	*			trans	-150	129.9	162.5	46.4	0	0	0	0	108.5
232	E	23.7	Very low	27.6	Very low	198 Å²	198	124.8 Å²	124.8	93%	0.925	70%	0.699	S	S	*	*			trans	-61.7	141.5	167.4	-65	156.2	140.3	0	0	108.3
233	R	25.7	Very low	28	Very low	224 Å²	224	123.8 Å²	123.8	85%	0.845	68%	0.682	S	S	*	*			trans	-123.3	114.1	168.8	-65.6	-169.6	-171.3	-169.4	3.7	107.9
234	E	27	Very low	28.8	Very low	179 Å²	179	120.1 Å²	120.1	84%	0.836	66%	0.664	S	S	*	*			trans	-55.3	153.4	171.1	-60.3	-179.2	119.8	0	0	110.5	D236	E234-D236 PolarHBondContact O-N 3.2Å
235	P	31	Very low	29.6	Very low	100 Å²	100	119.2 Å²	119.2	65%	0.649	65%	0.652	S	S	*	*			trans	-57.6	137.1	169.7	-17.7	30.6	0	0	0	109.9	S237 L240	P235-S237 PolarHBondContact O-N 3.39Å; P235-L240 HydrophobicContact CB-CD1 4.06Å; P235-L240 HydrophobicContact CG-CD1 4.47Å
236	D	32.2	Very low	30.4	Very low	101 Å²	101	118 Å²	118	54%	0.54	64%	0.637	S	S	.	*			trans	-50.2	114.3	-176.3	-175.6	-17	0	0	0	110.5	E234 R238 E239	E234-D236 PolarHBondContact O-N 3.2Å; D236-R238 PolarHBondContact O-N 3.15Å; D236-R238 WeakPolarHBondContact OD1-CB 3.38Å; D236-R238 PolarHBondContact OD1-N 3.49Å; D236-E239 PolarHBondContact O-N 3.46Å
237	S	30.8	Very low	31.3	Very low	82 Å²	82	116.9 Å²	116.9	57%	0.573	61%	0.614	S	S	*	*	H	α-helix	trans	-57.2	-24.3	-173.5	58.8	0	0	0	0	112	P235 E239 L240 T241	P235-S237 PolarHBondContact O-N 3.39Å; S237-E239 PolarHBondContact O-N 2.81Å; S237-L240 PolarHBondContact O-N 3.37Å; S237-T241 VanDerWaalsContact O-CB 3.3Å; S237-T241 WeakPolarHBondContact O-CB 3.39Å; S237-T241 PolarHBondContact O-N 3.24Å; S237-T241 PolarHBondContact O-OG1 3.35Å
238	R	32.3	Very low	32.4	Very low	187 Å²	187	117.9 Å²	117.9	71%	0.706	61%	0.607	S	S	*	*	H	α-helix	trans	-69.3	-29.5	177.4	-67.2	176.8	164.8	-174.6	-4.3	114.3	D236 K242	D236-R238 PolarHBondContact O-N 3.15Å; D236-R238 WeakPolarHBondContact OD1-CB 3.38Å; D236-R238 PolarHBondContact OD1-N 3.49Å; R238-K242 VanDerWaalsContact O-CG 3.26Å; R238-K242 WeakPolarHBondContact O-CG 3.46Å; R238-K242 PolarHBondContact O-N 3.38Å; R238-K242 VanDerWaalsContact O-N 3.14Å
239	E	32.2	Very low	33.5	Very low	129 Å²	129	117.9 Å²	117.9	60%	0.603	60%	0.598	S	S	*	*	H	α-helix	trans	-75.7	-43.6	174.7	-73.3	-87.1	104.8	0	0	110.3	D236 S237 K242 S243	D236-E239 PolarHBondContact O-N 3.46Å; S237-E239 PolarHBondContact O-N 2.81Å; E239-K242 PolarHBondContact O-N 3.09Å; E239-K242 IonicContact OE1-NZ 3.54Å; E239-S243 PolarHBondContact O-N 2.99Å
240	L	30.7	Very low	34.4	Very low	89 Å²	89	113.9 Å²	113.9	47%	0.466	57%	0.572	S	S	.	*	H	α-helix	trans	-62.3	-44.7	173.3	-91.4	156.9	0	0	0	112	P235 S237 K242 S243 N244	P235-L240 HydrophobicContact CB-CD1 4.06Å; P235-L240 HydrophobicContact CG-CD1 4.47Å; S237-L240 PolarHBondContact O-N 3.37Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.48Å; L240-S243 PolarHBondContact O-N 2.92Å; L240-N244 WeakPolarHBondContact O-CB 3.23Å; L240-N244 PolarHBondContact O-N 2.96Å
241	T	35.3	Very low	35.6	Very low	70 Å²	70	111.8 Å²	111.8	43%	0.429	55%	0.547	S	S	.	.	H	α-helix	trans	-61.1	-40.3	174.8	-63	0	0	0	0	111.6	S237 N244 Q245	S237-T241 VanDerWaalsContact O-CB 3.3Å; S237-T241 WeakPolarHBondContact O-CB 3.39Å; S237-T241 PolarHBondContact O-N 3.24Å; S237-T241 PolarHBondContact O-OG1 3.35Å; T241-N244 PolarHBondContact O-N 2.85Å; T241-Q245 HydrophobicContact CG2-CG 4.26Å; T241-Q245 VanDerWaalsContact O-CB 3.28Å; T241-Q245 WeakPolarHBondContact O-CB 3.31Å; T241-Q245 VanDerWaalsContact O-CG 3.27Å; T241-Q245 WeakPolarHBondContact O-CG 3.5Å; T241-Q245 PolarHBondContact O-N 3.41Å
242	K	35.5	Very low	36.8	Very low	127 Å²	127	116.3 Å²	116.3	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-65	-44.7	174.7	-77.1	171.1	-174.8	172.2	0	112.4	R238 E239 L240 N244 Q245 Y246	R238-K242 VanDerWaalsContact O-CG 3.26Å; R238-K242 WeakPolarHBondContact O-CG 3.46Å; R238-K242 PolarHBondContact O-N 3.38Å; R238-K242 VanDerWaalsContact O-N 3.14Å; E239-K242 PolarHBondContact O-N 3.09Å; E239-K242 IonicContact OE1-NZ 3.54Å; L240-K242 VanDerWaalsContact C-N 3.35Å; L240-K242 PolarHBondContact O-N 3.48Å; K242-N244 VanDerWaalsContact C-N 3.31Å; K242-N244 PolarHBondContact O-N 2.86Å; K242-Q245 PolarHBondContact O-N 3.39Å; K242-Y246 PolarHBondContact O-N 3.47Å
243	S	34.8	Very low	37.9	Very low	44 Å²	44	111.4 Å²	111.4	31%	0.308	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-37.7	178.5	-166.8	0	0	0	0	111.5	E239 L240 Y246 L247	E239-S243 PolarHBondContact O-N 2.99Å; L240-S243 PolarHBondContact O-N 2.92Å; S243-Y246 PolarHBondContact O-N 2.88Å; S243-L247 WeakPolarHBondContact O-CG 3.21Å; S243-L247 PolarHBondContact O-N 3.33Å
244	N	39.9	Very low	38.9	Very low	82 Å²	82	101.1 Å²	101.1	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-71.2	-41.2	175.1	-72.6	-10.5	0	0	0	111.8	L240 T241 K242 Y246 L247 E248	L240-N244 WeakPolarHBondContact O-CB 3.23Å; L240-N244 PolarHBondContact O-N 2.96Å; T241-N244 PolarHBondContact O-N 2.85Å; K242-N244 VanDerWaalsContact C-N 3.31Å; K242-N244 PolarHBondContact O-N 2.86Å; N244-Y246 VanDerWaalsContact C-N 3.28Å; N244-Y246 PolarHBondContact O-N 3Å; N244-L247 CarbonylContact O-C 3.46Å; N244-L247 PolarHBondContact O-N 2.87Å; N244-L247 VanDerWaalsContact O-N 3.12Å; N244-E248 WeakPolarHBondContact O-CB 3.37Å; N244-E248 WeakPolarHBondContact O-CG 3.45Å; N244-E248 PolarHBondContact O-N 3.14Å
245	Q	43.2	Very low	39.9	Very low	99 Å²	99	95.1 Å²	95.1	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-61	-36.3	173.1	-80.7	-179.8	-23.2	0	0	112.2	T241 K242 E248 Q249	T241-Q245 HydrophobicContact CG2-CG 4.26Å; T241-Q245 VanDerWaalsContact O-CB 3.28Å; T241-Q245 WeakPolarHBondContact O-CB 3.31Å; T241-Q245 VanDerWaalsContact O-CG 3.27Å; T241-Q245 WeakPolarHBondContact O-CG 3.5Å; T241-Q245 PolarHBondContact O-N 3.41Å; K242-Q245 PolarHBondContact O-N 3.39Å; Q245-E248 PolarHBondContact O-N 3.38Å; Q245-Q249 VanDerWaalsContact O-CB 3.31Å; Q245-Q249 WeakPolarHBondContact O-CB 3.34Å; Q245-Q249 VanDerWaalsContact O-CG 3.23Å; Q245-Q249 WeakPolarHBondContact O-CG 3.25Å; Q245-Q249 PolarHBondContact O-N 2.93Å
246	Y	39.3	Very low	40.8	Very low	145 Å²	145	93.7 Å²	93.7	57%	0.569	46%	0.459	S	S	*	.	H	α-helix	trans	-68.9	-38.9	174	-163	-96.4	0	0	0	111.7	K242 S243 N244 L250	K242-Y246 PolarHBondContact O-N 3.47Å; S243-Y246 PolarHBondContact O-N 2.88Å; N244-Y246 VanDerWaalsContact C-N 3.28Å; N244-Y246 PolarHBondContact O-N 3Å; Y246-L250 WeakPolarHBondContact O-CB 3.44Å; Y246-L250 PolarHBondContact O-N 3.41Å
247	L	43.5	Very low	41.3	Very low	43 Å²	43	92.8 Å²	92.8	23%	0.225	45%	0.45	C	S	.	.	H	α-helix	trans	-68.5	-34.4	173	-72.2	169	0	0	0	113	S243 N244 N251	S243-L247 WeakPolarHBondContact O-CG 3.21Å; S243-L247 PolarHBondContact O-N 3.33Å; N244-L247 CarbonylContact O-C 3.46Å; N244-L247 PolarHBondContact O-N 2.87Å; N244-L247 VanDerWaalsContact O-N 3.12Å; L247-N251 WeakPolarHBondContact O-CB 3.42Å; L247-N251 PolarHBondContact O-N 2.97Å
248	E	45.4	Very low	42	Very low	128 Å²	128	91 Å²	91	60%	0.598	43%	0.431	S	S	*	.	H	α-helix	trans	-70.1	-43.6	173.4	-76.1	177.3	160.2	0	0	111.4	N244 Q245 L250 N251 Y252	N244-E248 WeakPolarHBondContact O-CB 3.37Å; N244-E248 WeakPolarHBondContact O-CG 3.45Å; N244-E248 PolarHBondContact O-N 3.14Å; Q245-E248 PolarHBondContact O-N 3.38Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 3Å; E248-N251 PolarHBondContact O-N 3.4Å; E248-Y252 VanDerWaalsContact O-CB 3.25Å; E248-Y252 WeakPolarHBondContact O-CB 3.47Å; E248-Y252 PolarHBondContact O-N 3.11Å
249	Q	45.8	Very low	42.4	Very low	131 Å²	131	88.6 Å²	88.6	61%	0.612	43%	0.432	S	S	*	.	H	α-helix	trans	-62.5	-40.4	172.8	-76.1	175.2	11.3	0	0	111.3	Q245 H253	Q245-Q249 VanDerWaalsContact O-CB 3.31Å; Q245-Q249 WeakPolarHBondContact O-CB 3.34Å; Q245-Q249 VanDerWaalsContact O-CG 3.23Å; Q245-Q249 WeakPolarHBondContact O-CG 3.25Å; Q245-Q249 PolarHBondContact O-N 2.93Å; Q249-H253 VanDerWaalsContact O-CB 3.25Å; Q249-H253 WeakPolarHBondContact O-CB 3.31Å; Q249-H253 PolarHBondContact O-N 3.19Å
250	L	45.5	Very low	42.9	Very low	49 Å²	49	86 Å²	86	26%	0.257	44%	0.441	S	S	.	.	H	α-helix	trans	-70.3	-40.5	176.7	-171.2	61.9	0	0	0	111.8	Y246 E248 H253 L254 L274	Y246-L250 WeakPolarHBondContact O-CB 3.44Å; Y246-L250 PolarHBondContact O-N 3.41Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 3Å; L250-H253 PolarHBondContact O-N 3.44Å; L250-L254 HydrophobicContact CG-CD1 4.34Å; L250-L254 WeakPolarHBondContact O-CB 3.33Å; L250-L254 VanDerWaalsContact O-CG 3.26Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.11Å; L250-L274 HydrophobicContact CD2-CD1 3.64Å
251	N	47.6	Very low	43.2	Very low	57 Å²	57	91.6 Å²	91.6	31%	0.305	46%	0.455	S	S	.	.	H	α-helix	trans	-61.6	-47	172.7	-174.6	26.7	0	0	0	110.8	L247 E248 H253 L254 V255 I271	L247-N251 WeakPolarHBondContact O-CB 3.42Å; L247-N251 PolarHBondContact O-N 2.97Å; E248-N251 PolarHBondContact O-N 3.4Å; N251-H253 VanDerWaalsContact C-N 3.3Å; N251-H253 PolarHBondContact O-N 3.13Å; N251-L254 PolarHBondContact O-N 3.38Å; N251-V255 WeakPolarHBondContact O-CB 3.36Å; N251-V255 VanDerWaalsContact O-CG2 3.27Å; N251-V255 WeakPolarHBondContact O-CG2 3.33Å; N251-V255 PolarHBondContact O-N 3.33Å; N251-I271 HydrophobicContact CB-CD1 4.32Å
252	Y	51.1	Low	43.5	Very low	178 Å²	178	90.3 Å²	90.3	70%	0.698	45%	0.446	S	S	*	.	H	α-helix	trans	-60.7	-38.7	173.8	-174.3	-88.8	0	0	0	111.9	E248 S256	E248-Y252 VanDerWaalsContact O-CB 3.25Å; E248-Y252 WeakPolarHBondContact O-CB 3.47Å; E248-Y252 PolarHBondContact O-N 3.11Å; Y252-S256 WeakPolarHBondContact O-CB 3.17Å; Y252-S256 PolarHBondContact O-N 3Å; Y252-S256 PolarHBondContact O-OG 2.93Å
253	H	48.2	Very low	44.1	Very low	96 Å²	96	87 Å²	87	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-67.9	-43.8	176	-163.2	73.9	0	0	0	111.7	Q249 L250 N251 S256 K257	Q249-H253 VanDerWaalsContact O-CB 3.25Å; Q249-H253 WeakPolarHBondContact O-CB 3.31Å; Q249-H253 PolarHBondContact O-N 3.19Å; L250-H253 PolarHBondContact O-N 3.44Å; N251-H253 VanDerWaalsContact C-N 3.3Å; N251-H253 PolarHBondContact O-N 3.13Å; H253-S256 PolarHBondContact O-OG 3.48Å; H253-K257 WeakPolarHBondContact O-CB 3.43Å; H253-K257 PolarHBondContact O-N 3.04Å
254	L	45.5	Very low	44.8	Very low	7 Å²	7	90.5 Å²	90.5	4%	0.037	45%	0.451	C	S	.	.	H	α-helix	trans	-63.5	-50.4	175.5	-70.4	173.6	0	0	0	111.2	L250 N251 S256 K257 Y258 M270	L250-L254 HydrophobicContact CG-CD1 4.34Å; L250-L254 WeakPolarHBondContact O-CB 3.33Å; L250-L254 VanDerWaalsContact O-CG 3.26Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.11Å; N251-L254 PolarHBondContact O-N 3.38Å; L254-S256 PolarHBondContact O-N 3.37Å; L254-K257 PolarHBondContact O-N 3.25Å; L254-Y258 HydrophobicContact CD2-CD2 4.01Å; L254-Y258 HydrophobicContact CD2-CE2 3.81Å; L254-Y258 WeakPolarHBondContact O-CB 3.29Å; L254-Y258 WeakPolarHBondContact O-CD2 3.4Å; L254-Y258 PolarHBondContact O-N 3.35Å; L254-M270 HydrophobicContact CD1-CE 4.24Å; L254-M270 HydrophobicContact CD2-CE 3.63Å
255	V	48.6	Very low	45	Very low	54 Å²	54	91.7 Å²	91.7	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-41.1	177.8	171.4	0	0	0	0	111.5	N251 N259 I267	N251-V255 WeakPolarHBondContact O-CB 3.36Å; N251-V255 VanDerWaalsContact O-CG2 3.27Å; N251-V255 WeakPolarHBondContact O-CG2 3.33Å; N251-V255 PolarHBondContact O-N 3.33Å; V255-N259 WeakPolarHBondContact O-CA 3.35Å; V255-N259 WeakPolarHBondContact O-CB 3.29Å; V255-N259 PolarHBondContact O-N 3.25Å; V255-N259 VanDerWaalsContact O-N 3.11Å; V255-I267 HydrophobicContact CG2-CD1 4.1Å
256	S	49.2	Very low	45	Very low	69 Å²	69	88.1 Å²	88.1	48%	0.483	44%	0.438	S	S	.	.	H	α-helix	trans	-77.7	-33.4	179.5	59.4	0	0	0	0	114.2	Y252 H253 L254	Y252-S256 WeakPolarHBondContact O-CB 3.17Å; Y252-S256 PolarHBondContact O-N 3Å; Y252-S256 PolarHBondContact O-OG 2.93Å; H253-S256 PolarHBondContact O-OG 3.48Å; L254-S256 PolarHBondContact O-N 3.37Å
257	K	43.4	Very low	45.4	Very low	82 Å²	82	81.6 Å²	81.6	36%	0.357	41%	0.413	S	S	.	.	H	α-helix	trans	-82.3	-27	-179.3	-174.4	177.4	169.6	-162.6	0	113.4	H253 L254 E348	H253-K257 WeakPolarHBondContact O-CB 3.43Å; H253-K257 PolarHBondContact O-N 3.04Å; L254-K257 PolarHBondContact O-N 3.25Å; K257-E348 IonicContact NZ-OE1 3.3Å; K257-E348 PolarHBondContact NZ-OE1 2.97Å; K257-E348 IonicContact NZ-OE2 3.71Å; K257-E348 PolarHBondContact NZ-OE2 2.81Å
258	Y	44.4	Very low	45.6	Very low	46 Å²	46	84.7 Å²	84.7	18%	0.18	43%	0.426	C	S	.	.	S	Bend	trans	-122.7	18.4	-177	-54	-83.3	0	0	0	114	L254 G260 R261 L262 E348	L254-Y258 HydrophobicContact CD2-CD2 4.01Å; L254-Y258 HydrophobicContact CD2-CE2 3.81Å; L254-Y258 WeakPolarHBondContact O-CB 3.29Å; L254-Y258 WeakPolarHBondContact O-CD2 3.4Å; L254-Y258 PolarHBondContact O-N 3.35Å; Y258-G260 PolarHBondContact O-N 3.09Å; Y258-R261 WeakPolarHBondContact O-CA 3.23Å; Y258-R261 PolarHBondContact O-N 3.09Å; Y258-L262 HydrophobicContact CD1-CD1 4.23Å; Y258-L262 HydrophobicContact CD2-CD1 4.19Å; Y258-L262 HydrophobicContact CG-CD1 3.81Å; Y258-L262 HydrophobicContact CG-CG 4.32Å; Y258-L262 PolarHBondContact O-N 3.04Å; Y258-E348 PolarHBondContact OH-OE1 3.25Å
259	N	41.1	Very low	45.5	Very low	135 Å²	135	80.5 Å²	80.5	72%	0.722	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	122.7	174.7	-144.4	-25.7	0	0	0	110.6	V255 R261	V255-N259 WeakPolarHBondContact O-CA 3.35Å; V255-N259 WeakPolarHBondContact O-CB 3.29Å; V255-N259 PolarHBondContact O-N 3.25Å; V255-N259 VanDerWaalsContact O-N 3.11Å; N259-R261 VanDerWaalsContact C-N 3.32Å; N259-R261 PolarHBondContact O-N 3.29Å
260	G	42.9	Very low	45.5	Very low	76 Å²	76	75.3 Å²	75.3	78%	0.784	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	14.4	-173.6	0	0	0	0	0	115.6	Y258	Y258-G260 PolarHBondContact O-N 3.09Å
261	R	38	Very low	45.6	Very low	205 Å²	205	73.6 Å²	73.6	77%	0.774	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-19.3	173.6	-75.9	-174.1	172	-179	-2.2	114.9	Y258 N259	Y258-R261 WeakPolarHBondContact O-CA 3.23Å; Y258-R261 PolarHBondContact O-N 3.09Å; N259-R261 VanDerWaalsContact C-N 3.32Å; N259-R261 PolarHBondContact O-N 3.29Å
262	L	40.5	Very low	45.7	Very low	43 Å²	43	71.7 Å²	71.7	23%	0.225	37%	0.368	C	S	.	.	S	Bend	trans	-127.4	148.3	170.5	-66.2	174	0	0	0	109.1	Y258 Q266 I267 M270	Y258-L262 HydrophobicContact CD1-CD1 4.23Å; Y258-L262 HydrophobicContact CD2-CD1 4.19Å; Y258-L262 HydrophobicContact CG-CD1 3.81Å; Y258-L262 HydrophobicContact CG-CG 4.32Å; Y258-L262 PolarHBondContact O-N 3.04Å; L262-Q266 VanDerWaalsContact CA-OE1 3.24Å; L262-Q266 HydrophobicContact CB-CB 4.31Å; L262-Q266 HydrophobicContact CD2-CB 4.36Å; L262-I267 HydrophobicContact CB-CD1 4.47Å; L262-I267 HydrophobicContact CB-CG1 4.14Å; L262-M270 HydrophobicContact CD1-SD 3.83Å
263	T	49.1	Very low	45.4	Very low	58 Å²	58	66.3 Å²	66.3	36%	0.356	35%	0.351	S	S	.	.			trans	-79.2	165.8	172.5	81.4	0	0	0	0	111.1	E265 Q266 I267	T263-E265 VanDerWaalsContact C-N 3.27Å; T263-E265 WeakPolarHBondContact CB-OE2 3.39Å; T263-E265 PolarHBondContact O-N 3.29Å; T263-E265 PolarHBondContact OG1-N 3.16Å; T263-E265 PolarHBondContact OG1-OE2 2.98Å; T263-Q266 PolarHBondContact O-N 3.2Å; T263-Q266 PolarHBondContact OG1-N 3.04Å; T263-I267 WeakPolarHBondContact O-CG1 3.43Å; T263-I267 PolarHBondContact O-N 3.34Å
264	N	48	Very low	45.2	Very low	117 Å²	117	63.9 Å²	63.9	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-35	176.3	-79.2	-36	0	0	0	111.6	I267 Q268	N264-I267 PolarHBondContact O-N 2.64Å; N264-Q268 WeakPolarHBondContact O-CG 3.33Å; N264-Q268 PolarHBondContact O-N 3.11Å
265	E	44.4	Very low	45.2	Very low	107 Å²	107	68.8 Å²	68.8	50%	0.5	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-41.5	176.8	-52.3	71.2	-150.8	0	0	111	T263 I267 Q268 T269	T263-E265 VanDerWaalsContact C-N 3.27Å; T263-E265 WeakPolarHBondContact CB-OE2 3.39Å; T263-E265 PolarHBondContact O-N 3.29Å; T263-E265 PolarHBondContact OG1-N 3.16Å; T263-E265 PolarHBondContact OG1-OE2 2.98Å; E265-I267 VanDerWaalsContact C-N 3.34Å; E265-I267 PolarHBondContact O-N 3.19Å; E265-Q268 PolarHBondContact O-N 3.32Å; E265-T269 WeakPolarHBondContact O-CB 3.41Å; E265-T269 PolarHBondContact O-N 3.25Å; E265-T269 PolarHBondContact O-OG1 3.16Å
266	Q	43.6	Very low	45	Very low	25 Å²	25	68.8 Å²	68.8	12%	0.117	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-40.8	173.4	-70.8	174.2	-26.9	0	0	111.3	L262 T263 T269 M270	L262-Q266 VanDerWaalsContact CA-OE1 3.24Å; L262-Q266 HydrophobicContact CB-CB 4.31Å; L262-Q266 HydrophobicContact CD2-CB 4.36Å; T263-Q266 PolarHBondContact O-N 3.2Å; T263-Q266 PolarHBondContact OG1-N 3.04Å; Q266-T269 WeakPolarHBondContact O-CB 3.35Å; Q266-T269 PolarHBondContact O-N 3.02Å; Q266-M270 WeakPolarHBondContact O-CG 3.48Å; Q266-M270 PolarHBondContact O-N 3.28Å
267	I	46.9	Very low	44.6	Very low	8 Å²	8	69.1 Å²	69.1	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-43.9	176	-66.2	169.5	0	0	0	111.3	V255 L262 T263 N264 E265 T269 M270 I271	V255-I267 HydrophobicContact CG2-CD1 4.1Å; L262-I267 HydrophobicContact CB-CD1 4.47Å; L262-I267 HydrophobicContact CB-CG1 4.14Å; T263-I267 WeakPolarHBondContact O-CG1 3.43Å; T263-I267 PolarHBondContact O-N 3.34Å; N264-I267 PolarHBondContact O-N 2.64Å; E265-I267 VanDerWaalsContact C-N 3.34Å; E265-I267 PolarHBondContact O-N 3.19Å; I267-T269 VanDerWaalsContact C-N 3.32Å; I267-T269 PolarHBondContact O-N 2.97Å; I267-M270 PolarHBondContact O-N 3.03Å; I267-I271 HydrophobicContact CG2-CD1 3.98Å; I267-I271 WeakPolarHBondContact O-CG1 3.35Å; I267-I271 PolarHBondContact O-N 3.43Å
268	Q	47.9	Very low	44.6	Very low	108 Å²	108	67.5 Å²	67.5	51%	0.505	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-37.7	175.4	-66.7	-52.9	-36.3	0	0	112.2	N264 E265 I271 A272	N264-Q268 WeakPolarHBondContact O-CG 3.33Å; N264-Q268 PolarHBondContact O-N 3.11Å; E265-Q268 PolarHBondContact O-N 3.32Å; Q268-I271 PolarHBondContact O-N 2.92Å; Q268-A272 WeakPolarHBondContact O-CB 3.34Å; Q268-A272 PolarHBondContact O-N 2.85Å
269	T	44.6	Very low	44.6	Very low	39 Å²	39	70.9 Å²	70.9	24%	0.239	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-47.3	174	-62.8	0	0	0	0	111.8	E265 Q266 I267 I271 A272 L273 F329	E265-T269 WeakPolarHBondContact O-CB 3.41Å; E265-T269 PolarHBondContact O-N 3.25Å; E265-T269 PolarHBondContact O-OG1 3.16Å; Q266-T269 WeakPolarHBondContact O-CB 3.35Å; Q266-T269 PolarHBondContact O-N 3.02Å; I267-T269 VanDerWaalsContact C-N 3.32Å; I267-T269 PolarHBondContact O-N 2.97Å; T269-I271 VanDerWaalsContact C-N 3.31Å; T269-I271 PolarHBondContact O-N 3.47Å; T269-A272 PolarHBondContact O-N 3.48Å; T269-L273 HydrophobicContact CG2-CD1 4.22Å; T269-L273 PolarHBondContact O-N 2.74Å; T269-F329 HydrophobicContact CG2-CE1 3.98Å; T269-F329 HydrophobicContact CG2-CZ 3.56Å; T269-F329 WeakPolarHBondContact OG1-CE1 3.29Å; T269-F329 WeakPolarHBondContact OG1-CZ 3.43Å
270	M	45.2	Very low	44.4	Very low	23 Å²	23	67.1 Å²	67.1	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-61	-41.7	176.5	-67.9	172	72.5	0	0	111	L254 L262 Q266 I267 L274 L345	L254-M270 HydrophobicContact CD1-CE 4.24Å; L254-M270 HydrophobicContact CD2-CE 3.63Å; L262-M270 HydrophobicContact CD1-SD 3.83Å; Q266-M270 WeakPolarHBondContact O-CG 3.48Å; Q266-M270 PolarHBondContact O-N 3.28Å; I267-M270 PolarHBondContact O-N 3.03Å; M270-L274 WeakPolarHBondContact O-CB 3.19Å; M270-L274 WeakPolarHBondContact O-CD1 3.33Å; M270-L274 WeakPolarHBondContact O-CG 3.36Å; M270-L274 PolarHBondContact O-N 3.12Å; M270-L274 VanDerWaalsContact O-N 3.07Å; M270-L345 HydrophobicContact CE-CD1 4.04Å; M270-L345 HydrophobicContact CE-CG 4.27Å; M270-L345 HydrophobicContact CG-CD1 4.19Å
271	I	48.3	Very low	44.3	Very low	13 Å²	13	68.9 Å²	68.9	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-39.7	175.4	-67.2	166	0	0	0	111.6	N251 I267 Q268 T269 L274 R275	N251-I271 HydrophobicContact CB-CD1 4.32Å; I267-I271 HydrophobicContact CG2-CD1 3.98Å; I267-I271 WeakPolarHBondContact O-CG1 3.35Å; I267-I271 PolarHBondContact O-N 3.43Å; Q268-I271 PolarHBondContact O-N 2.92Å; T269-I271 VanDerWaalsContact C-N 3.31Å; T269-I271 PolarHBondContact O-N 3.47Å; I271-L274 PolarHBondContact O-N 2.86Å; I271-R275 VanDerWaalsContact O-CG 3.29Å; I271-R275 WeakPolarHBondContact O-CG 3.26Å; I271-R275 PolarHBondContact O-N 3.22Å
272	A	48.1	Very low	44.5	Very low	16 Å²	16	63.7 Å²	63.7	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-48.9	178	0	0	0	0	0	112.2	Q268 T269 L274 R275 I276	Q268-A272 WeakPolarHBondContact O-CB 3.34Å; Q268-A272 PolarHBondContact O-N 2.85Å; T269-A272 PolarHBondContact O-N 3.48Å; A272-L274 VanDerWaalsContact C-N 3.32Å; A272-L274 PolarHBondContact O-N 3.36Å; A272-R275 WeakPolarHBondContact O-CB 3.18Å; A272-R275 PolarHBondContact O-N 2.92Å; A272-R275 VanDerWaalsContact O-N 3.16Å; A272-I276 WeakPolarHBondContact O-CG1 3.41Å; A272-I276 PolarHBondContact O-N 3Å
273	L	45.1	Very low	44.3	Very low	66 Å²	66	65.8 Å²	65.8	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-58.4	-43	175.6	-71.7	168.9	0	0	0	111.8	T269 R275 I276 I277	T269-L273 HydrophobicContact CG2-CD1 4.22Å; T269-L273 PolarHBondContact O-N 2.74Å; L273-R275 PolarHBondContact O-N 3.3Å; L273-I276 PolarHBondContact O-N 2.91Å; L273-I277 WeakPolarHBondContact O-CG1 3.27Å; L273-I277 PolarHBondContact O-N 3.31Å
274	L	44.8	Very low	43.6	Very low	45 Å²	45	68 Å²	68	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-33.7	177.4	-70.6	166.9	0	0	0	113	L250 M270 I271 A272 S278 L345	L250-L274 HydrophobicContact CD2-CD1 3.64Å; M270-L274 WeakPolarHBondContact O-CB 3.19Å; M270-L274 WeakPolarHBondContact O-CD1 3.33Å; M270-L274 WeakPolarHBondContact O-CG 3.36Å; M270-L274 PolarHBondContact O-N 3.12Å; M270-L274 VanDerWaalsContact O-N 3.07Å; I271-L274 PolarHBondContact O-N 2.86Å; A272-L274 VanDerWaalsContact C-N 3.32Å; A272-L274 PolarHBondContact O-N 3.36Å; L274-S278 WeakPolarHBondContact O-CB 3.39Å; L274-S278 PolarHBondContact O-N 3.03Å; L274-L345 HydrophobicContact CD2-CD2 4.29Å
275	R	45.5	Very low	43.1	Very low	110 Å²	110	70.5 Å²	70.5	42%	0.415	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-45.5	171.6	-77.6	171.5	178	179.2	2.2	111.5	I271 A272 L273 S278 Q279	I271-R275 VanDerWaalsContact O-CG 3.29Å; I271-R275 WeakPolarHBondContact O-CG 3.26Å; I271-R275 PolarHBondContact O-N 3.22Å; A272-R275 WeakPolarHBondContact O-CB 3.18Å; A272-R275 PolarHBondContact O-N 2.92Å; A272-R275 VanDerWaalsContact O-N 3.16Å; L273-R275 PolarHBondContact O-N 3.3Å; R275-S278 WeakPolarHBondContact O-CB 3.25Å; R275-S278 PolarHBondContact O-N 3.13Å; R275-Q279 WeakPolarHBondContact O-CG 3.46Å; R275-Q279 PolarHBondContact O-N 3.17Å
276	I	43.7	Very low	42.7	Very low	54 Å²	54	73.9 Å²	73.9	28%	0.277	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-50.3	177.5	-66.1	163.7	0	0	0	110.3	A272 L273 S278 Q279 S280 L324	A272-I276 WeakPolarHBondContact O-CG1 3.41Å; A272-I276 PolarHBondContact O-N 3Å; L273-I276 PolarHBondContact O-N 2.91Å; I276-S278 VanDerWaalsContact C-N 3.27Å; I276-S278 PolarHBondContact O-N 3.42Å; I276-Q279 PolarHBondContact O-N 3.17Å; I276-Q279 VanDerWaalsContact O-N 3.16Å; I276-S280 PolarHBondContact O-N 3.19Å; I276-S280 PolarHBondContact O-OG 3.27Å; I276-L324 HydrophobicContact CD1-CD1 4.07Å; I276-L324 HydrophobicContact CD1-CD2 3.9Å; I276-L324 HydrophobicContact CD1-CG 4.12Å
277	I	41.9	Very low	42.3	Very low	76 Å²	76	76.9 Å²	76.9	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-58	-39.5	177.8	-66.9	163.8	0	0	0	111.6	L273 R281	L273-I277 WeakPolarHBondContact O-CG1 3.27Å; L273-I277 PolarHBondContact O-N 3.31Å; I277-R281 WeakPolarHBondContact O-CB 3.15Å; I277-R281 WeakPolarHBondContact O-CG 3.25Å; I277-R281 PolarHBondContact O-N 3.41Å; I277-R281 VanDerWaalsContact O-N 3.17Å
278	S	42.6	Very low	41.7	Very low	47 Å²	47	80.9 Å²	80.9	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-45.4	176.2	-171.4	0	0	0	0	112.4	L274 R275 I276 R281 Q282	L274-S278 WeakPolarHBondContact O-CB 3.39Å; L274-S278 PolarHBondContact O-N 3.03Å; R275-S278 WeakPolarHBondContact O-CB 3.25Å; R275-S278 PolarHBondContact O-N 3.13Å; I276-S278 VanDerWaalsContact C-N 3.27Å; I276-S278 PolarHBondContact O-N 3.42Å; S278-R281 PolarHBondContact O-N 3.16Å; S278-Q282 WeakPolarHBondContact O-CG 3.33Å; S278-Q282 PolarHBondContact O-N 3.48Å; S278-Q282 VanDerWaalsContact O-N 3.07Å
279	Q	44.6	Very low	41	Very low	118 Å²	118	80 Å²	80	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-63.8	-46	179.4	-73.4	172.1	-12	0	0	112	R275 I276 R281 Q282 Q283	R275-Q279 WeakPolarHBondContact O-CG 3.46Å; R275-Q279 PolarHBondContact O-N 3.17Å; I276-Q279 PolarHBondContact O-N 3.17Å; I276-Q279 VanDerWaalsContact O-N 3.16Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.82Å; Q279-Q282 PolarHBondContact O-N 3.43Å; Q279-Q283 PolarHBondContact O-N 2.92Å
280	S	37.1	Very low	40.3	Very low	55 Å²	55	86.1 Å²	86.1	39%	0.385	43%	0.431	S	S	.	.	H	α-helix	trans	-58.3	-44	175	-59.6	0	0	0	0	111.8	I276 Q282 Q283 I284	I276-S280 PolarHBondContact O-N 3.19Å; I276-S280 PolarHBondContact O-OG 3.27Å; S280-Q282 VanDerWaalsContact C-N 3.27Å; S280-Q282 PolarHBondContact O-N 2.97Å; S280-Q283 PolarHBondContact O-N 3.12Å; S280-I284 WeakPolarHBondContact O-CG1 3.42Å; S280-I284 PolarHBondContact O-N 2.77Å
281	R	39.9	Very low	39.7	Very low	114 Å²	114	91.3 Å²	91.3	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-62.6	-29.1	175	-79.8	179.4	164.3	-178.6	-3.3	113.4	I277 S278 Q279 H581	I277-R281 WeakPolarHBondContact O-CB 3.15Å; I277-R281 WeakPolarHBondContact O-CG 3.25Å; I277-R281 PolarHBondContact O-N 3.41Å; I277-R281 VanDerWaalsContact O-N 3.17Å; S278-R281 PolarHBondContact O-N 3.16Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.82Å; R281-H581 PolarHBondContact NH2-CD2 3.3Å; R281-H581 PolarHBondContact NH2-NE2 2.9Å
282	Q	43.4	Very low	38.9	Very low	96 Å²	96	97 Å²	97	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-76.6	-38.4	173.4	-69.4	-171.9	21.2	0	0	112.9	S278 Q279 S280 R286	S278-Q282 WeakPolarHBondContact O-CG 3.33Å; S278-Q282 PolarHBondContact O-N 3.48Å; S278-Q282 VanDerWaalsContact O-N 3.07Å; Q279-Q282 PolarHBondContact O-N 3.43Å; S280-Q282 VanDerWaalsContact C-N 3.27Å; S280-Q282 PolarHBondContact O-N 2.97Å; Q282-R286 WeakPolarHBondContact O-CG 3.39Å; Q282-R286 PolarHBondContact O-N 3.3Å
283	Q	36.6	Very low	38.1	Very low	87 Å²	87	101 Å²	101	41%	0.407	52%	0.515	S	S	.	.	H	α-helix	trans	-70.1	-41.9	178.5	-81.7	177	-27.6	0	0	112.8	Q279 S280 K285 R286 T287	Q279-Q283 PolarHBondContact O-N 2.92Å; S280-Q283 PolarHBondContact O-N 3.12Å; Q283-K285 PolarHBondContact O-N 3.32Å; Q283-R286 WeakPolarHBondContact O-CB 3.48Å; Q283-R286 PolarHBondContact O-N 2.83Å; Q283-T287 PolarHBondContact O-N 3.06Å; Q283-T287 VanDerWaalsContact O-N 3.15Å; Q283-T287 PolarHBondContact O-OG1 2.96Å
284	I	34.5	Very low	37.4	Very low	104 Å²	104	104.3 Å²	104.3	53%	0.533	53%	0.533	S	S	.	.	H	α-helix	trans	-60.5	-33	178.2	-66.9	165.6	0	0	0	111.8	S280 R286 T287 S288	S280-I284 WeakPolarHBondContact O-CG1 3.42Å; S280-I284 PolarHBondContact O-N 2.77Å; I284-R286 VanDerWaalsContact C-N 3.33Å; I284-R286 PolarHBondContact O-N 3.28Å; I284-T287 PolarHBondContact O-OG1 3.46Å; I284-S288 PolarHBondContact O-N 3.44Å; I284-S288 PolarHBondContact O-OG 3.03Å
285	K	35.6	Very low	36.7	Very low	169 Å²	169	109.1 Å²	109.1	74%	0.735	55%	0.554	S	S	*	*	H	α-helix	trans	-72.1	-20.7	173.2	-74.5	-176.2	176.6	-176.7	0	114.1	Q283	Q283-K285 PolarHBondContact O-N 3.32Å
286	R	36.3	Very low	36.1	Very low	178 Å²	178	110.5 Å²	110.5	67%	0.672	57%	0.565	S	S	*	*	H	α-helix	trans	-85.1	-39.5	177.7	-69.3	175	-176.4	176.3	4.1	111.7	Q282 Q283 I284 S289	Q282-R286 WeakPolarHBondContact O-CG 3.39Å; Q282-R286 PolarHBondContact O-N 3.3Å; Q283-R286 WeakPolarHBondContact O-CB 3.48Å; Q283-R286 PolarHBondContact O-N 2.83Å; I284-R286 VanDerWaalsContact C-N 3.33Å; I284-R286 PolarHBondContact O-N 3.28Å; R286-S289 PolarHBondContact O-OG 2.93Å; R286-S289 VanDerWaalsContact O-OG 3.1Å
287	T	35.2	Very low	35.6	Very low	88 Å²	88	113 Å²	113	54%	0.54	58%	0.578	S	S	.	*	H	α-helix	trans	-77.6	-23.9	-176.1	51.6	0	0	0	0	114.5	Q283 I284 S289	Q283-T287 PolarHBondContact O-N 3.06Å; Q283-T287 VanDerWaalsContact O-N 3.15Å; Q283-T287 PolarHBondContact O-OG1 2.96Å; I284-T287 PolarHBondContact O-OG1 3.46Å; T287-S289 VanDerWaalsContact C-N 3.28Å; T287-S289 PolarHBondContact O-N 2.89Å
288	S	34.8	Very low	35.2	Very low	93 Å²	93	117 Å²	117	65%	0.65	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	8.5	-175.2	46.1	0	0	0	0	115.6	I284	I284-S288 PolarHBondContact O-N 3.44Å; I284-S288 PolarHBondContact O-OG 3.03Å
289	S	33.8	Very low	34.7	Very low	88 Å²	88	121.6 Å²	121.6	62%	0.615	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	12.3	-165.2	63.8	0	0	0	0	116.7	R286 T287	R286-S289 PolarHBondContact O-OG 2.93Å; R286-S289 VanDerWaalsContact O-OG 3.1Å; T287-S289 VanDerWaalsContact C-N 3.28Å; T287-S289 PolarHBondContact O-N 2.89Å
290	Q	29	Very low	34.3	Very low	168 Å²	168	120.9 Å²	120.9	79%	0.785	61%	0.613	S	S	*	*			trans	-129.3	129.3	171	-68.9	-163	-2.8	0	0	113
291	P	32.3	Very low	33.9	Very low	132 Å²	132	121.5 Å²	121.5	86%	0.857	62%	0.622	S	S	*	*			trans	-84.9	129.5	173.7	33.1	-32	0	0	0	111.5
292	I	31.6	Very low	33.6	Very low	134 Å²	134	123.5 Å²	123.5	69%	0.687	64%	0.641	S	S	*	*			trans	-106.7	134.3	177.3	-59.8	177.4	0	0	0	109.6	L294 L297	I292-L294 PolarHBondContact O-N 3.34Å; I292-L297 HydrophobicContact CG2-CD1 3.99Å
293	N	32.3	Very low	33	Very low	100 Å²	100	124.1 Å²	124.1	54%	0.535	66%	0.656	S	S	.	*			trans	-76.9	122.5	-176.8	-171.8	-2.7	0	0	0	112	E295	N293-E295 PolarHBondContact O-N 3.19Å; N293-E295 PolarHBondContact OD1-N 3.11Å
294	L	31	Very low	32.7	Very low	135 Å²	135	128 Å²	128	71%	0.707	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-17.2	-173.4	-84.5	140.7	0	0	0	115.1	I292	I292-L294 PolarHBondContact O-N 3.34Å
295	E	29.8	Very low	32.5	Very low	146 Å²	146	133.5 Å²	133.5	68%	0.682	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-35.5	179.3	-67.4	-165.7	123.6	0	0	112.8	N293 L297 K298	N293-E295 PolarHBondContact O-N 3.19Å; N293-E295 PolarHBondContact OD1-N 3.11Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 3.26Å; E295-K298 PolarHBondContact O-N 2.9Å
296	E	32.6	Very low	32.2	Very low	139 Å²	139	131.7 Å²	131.7	65%	0.65	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-26.1	-177.4	-160.3	165.2	-149.2	0	0	112.6	N300	E296-N300 PolarHBondContact O-ND2 3.2Å; E296-N300 VanDerWaalsContact O-ND2 3.14Å
297	L	33.9	Very low	31.9	Very low	106 Å²	106	126.7 Å²	126.7	56%	0.555	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-27	173.5	-86	161	0	0	0	113.8	I292 E295	I292-L297 HydrophobicContact CG2-CD1 3.99Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 3.26Å
298	K	32.1	Very low	31.5	Very low	161 Å²	161	129.7 Å²	129.7	70%	0.7	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-27.3	-178.5	-72.3	-178.8	178.1	176.3	0	113.5	E295	E295-K298 PolarHBondContact O-N 2.9Å
299	N	33.3	Very low	31.3	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	0.6	-171.8	-64.9	-21.8	0	0	0	114.2
300	N	34.4	Very low	31.1	Very low	103 Å²	103	135.1 Å²	135.1	55%	0.551	68%	0.678	S	S	*	*	S	Bend	trans	-121.8	15.6	179.8	-71.1	-77.1	0	0	0	112.9	E296 D302	E296-N300 PolarHBondContact O-ND2 3.2Å; E296-N300 VanDerWaalsContact O-ND2 3.14Å; N300-D302 VanDerWaalsContact C-N 3.3Å; N300-D302 PolarHBondContact O-N 3.45Å
301	A	29	Very low	31.1	Very low	68 Å²	68	134.6 Å²	134.6	56%	0.562	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	46.3	-164.5	0	0	0	0	0	115.1
302	D	33.4	Very low	30.9	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	-13.1	178.1	-109.6	-39.1	0	0	0	115.7	N300	N300-D302 VanDerWaalsContact C-N 3.3Å; N300-D302 PolarHBondContact O-N 3.45Å
303	S	31.6	Very low	30.8	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	-8.1	-172.7	63.1	0	0	0	0	117.2
304	R	29.9	Very low	30.6	Very low	168 Å²	168	140.5 Å²	140.5	63%	0.634	67%	0.671	S	S	*	*	S	Bend	trans	-109.1	-9.8	-179	-69.2	-172.7	177.5	-178.8	0.4	115.4	Q306 S307	R304-Q306 PolarHBondContact O-N 2.79Å; R304-S307 PolarHBondContact O-N 3.05Å; R304-S307 PolarHBondContact O-OG 2.96Å
305	Y	29.8	Very low	30.4	Very low	221 Å²	221	142.3 Å²	142.3	87%	0.867	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-11.1	-169.8	-140.1	-92.9	0	0	0	114.8
306	Q	29.8	Very low	30.3	Very low	130 Å²	130	138.9 Å²	138.9	61%	0.607	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-23.8	174.7	-80.3	174	-46.8	0	0	114.3	R304	R304-Q306 PolarHBondContact O-N 2.79Å
307	S	29.9	Very low	30.2	Very low	74 Å²	74	135.5 Å²	135.5	52%	0.517	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	-34.1	-173.2	60	0	0	0	0	114.6	R304 R309 V310	R304-S307 PolarHBondContact O-N 3.05Å; R304-S307 PolarHBondContact O-OG 2.96Å; S307-R309 PolarHBondContact O-N 3.06Å; S307-R309 VanDerWaalsContact O-N 3.17Å; S307-V310 WeakPolarHBondContact O-CG2 3.46Å; S307-V310 PolarHBondContact O-N 2.81Å
308	Q	28	Very low	29.8	Very low	150 Å²	150	134.9 Å²	134.9	70%	0.701	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-4.1	-175.3	-67.4	-169.1	-66.1	0	0	114.9	V310	Q308-V310 VanDerWaalsContact C-N 3.31Å
309	R	29.7	Very low	29.6	Very low	224 Å²	224	133.3 Å²	133.3	85%	0.845	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	0.6	175.4	-149.7	173.5	179.6	-176.1	-1.3	113.6	S307	S307-R309 PolarHBondContact O-N 3.06Å; S307-R309 VanDerWaalsContact O-N 3.17Å
310	V	30.3	Very low	29.4	Very low	72 Å²	72	131.7 Å²	131.7	44%	0.436	63%	0.634	S	S	.	*	S	Bend	trans	-82.2	-37	-178.8	179.6	0	0	0	0	112.9	S307 Q308 Y312 R313 E314	S307-V310 WeakPolarHBondContact O-CG2 3.46Å; S307-V310 PolarHBondContact O-N 2.81Å; Q308-V310 VanDerWaalsContact C-N 3.31Å; V310-Y312 PolarHBondContact O-N 3.39Å; V310-R313 PolarHBondContact O-N 3.29Å; V310-E314 HydrophobicContact CG1-CG 4.23Å
311	H	28.6	Very low	29.1	Very low	157 Å²	157	131.4 Å²	131.4	73%	0.727	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	7.1	-172.1	-83.8	-32.4	0	0	0	117.1	E314	H311-E314 IonicContact CE1-OE2 3.42Å; H311-E314 IonicContact ND1-OE2 3.98Å; H311-E314 PolarHBondContact ND1-OE2 3.23Å
312	Y	27.3	Very low	29	Very low	194 Å²	194	129.9 Å²	129.9	76%	0.761	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	5.2	165.3	-86	-82.6	0	0	0	113.2	V310	V310-Y312 PolarHBondContact O-N 3.39Å
313	R	30.6	Very low	28.7	Very low	166 Å²	166	129.7 Å²	129.7	63%	0.626	61%	0.609	S	S	*	*	S	Bend	trans	-116.8	3.1	179.4	-78.1	-174.2	166.1	-172.9	-5.3	114.6	V310 H1040	V310-R313 PolarHBondContact O-N 3.29Å; R313-H1040 PolarHBondContact NH2-O 2.83Å
314	E	26.9	Very low	28.7	Very low	130 Å²	130	128 Å²	128	61%	0.607	59%	0.592	S	S	*	*			trans	-102.1	16.8	179.2	-64.6	175.9	132.3	0	0	113.4	V310 H311 D316	V310-E314 HydrophobicContact CG1-CG 4.23Å; H311-E314 IonicContact CE1-OE2 3.42Å; H311-E314 IonicContact ND1-OE2 3.98Å; H311-E314 PolarHBondContact ND1-OE2 3.23Å; E314-D316 PolarHBondContact O-N 2.83Å
315	Y	27.9	Very low	28.7	Very low	173 Å²	173	126.3 Å²	126.3	68%	0.678	59%	0.585	S	S	*	*	S	Bend	trans	-73.1	117.6	160.6	-105.2	-86.6	0	0	0	108.2	S317	Y315-S317 PolarHBondContact O-N 3.17Å
316	D	28	Very low	28.9	Very low	74 Å²	74	121.5 Å²	121.5	40%	0.396	57%	0.569	S	S	.	*			trans	-44.1	105.4	-179.9	177.4	4.9	0	0	0	111.4	E314 T318 Q319	E314-D316 PolarHBondContact O-N 2.83Å; D316-T318 VanDerWaalsContact CG-OG1 3.3Å; D316-T318 PolarHBondContact O-N 2.69Å; D316-T318 WeakPolarHBondContact OD1-CB 3.31Å; D316-T318 PolarHBondContact OD1-N 3.21Å; D316-T318 VanDerWaalsContact OD1-N 3.16Å; D316-T318 PolarHBondContact OD1-OG1 3.38Å; D316-T318 PolarHBondContact OD2-OG1 3.12Å; D316-Q319 PolarHBondContact O-N 2.99Å; D316-Q319 VanDerWaalsContact O-N 3.11Å; D316-Q319 PolarHBondContact OD2-NE2 3.28Å
317	S	29	Very low	29	Very low	67 Å²	67	119.3 Å²	119.3	47%	0.469	57%	0.568	S	S	.	*	H	α-helix	trans	-64.5	-26.5	-172.7	77.8	0	0	0	0	111.4	Y315 Q319 L320 E321	Y315-S317 PolarHBondContact O-N 3.17Å; S317-Q319 PolarHBondContact O-N 3.25Å; S317-L320 PolarHBondContact O-N 3.42Å; S317-E321 WeakPolarHBondContact CB-OE1 3.36Å; S317-E321 VanDerWaalsContact O-CB 3.23Å; S317-E321 WeakPolarHBondContact O-CB 3.21Å; S317-E321 WeakPolarHBondContact O-CG 3.5Å; S317-E321 PolarHBondContact O-N 3.16Å; S317-E321 PolarHBondContact OG-OE1 3.35Å
318	T	27.5	Very low	29	Very low	94 Å²	94	121.6 Å²	121.6	58%	0.577	57%	0.57	S	S	*	*	H	α-helix	trans	-63.7	-30.2	178.3	74	0	0	0	0	112.3	D316 G322	D316-T318 VanDerWaalsContact CG-OG1 3.3Å; D316-T318 PolarHBondContact O-N 2.69Å; D316-T318 WeakPolarHBondContact OD1-CB 3.31Å; D316-T318 PolarHBondContact OD1-N 3.21Å; D316-T318 VanDerWaalsContact OD1-N 3.16Å; D316-T318 PolarHBondContact OD1-OG1 3.38Å; D316-T318 PolarHBondContact OD2-OG1 3.12Å; T318-G322 PolarHBondContact O-N 3.36Å
319	Q	27.4	Very low	29.2	Very low	128 Å²	128	116.7 Å²	116.7	60%	0.598	55%	0.547	S	S	*	.	H	α-helix	trans	-81.2	-33.4	176.6	-70.5	-175.7	47.6	0	0	112.9	D316 S317 Y323	D316-Q319 PolarHBondContact O-N 2.99Å; D316-Q319 VanDerWaalsContact O-N 3.11Å; D316-Q319 PolarHBondContact OD2-NE2 3.28Å; S317-Q319 PolarHBondContact O-N 3.25Å; Q319-Y323 VanDerWaalsContact O-CD2 3.29Å; Q319-Y323 WeakPolarHBondContact O-CD2 3.19Å
320	L	28.1	Very low	29.2	Very low	107 Å²	107	108.4 Å²	108.4	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-77.4	-38.6	175.5	-120.2	79.2	0	0	0	112.2	S317 G322 Y323	S317-L320 PolarHBondContact O-N 3.42Å; L320-G322 PolarHBondContact O-N 2.95Å; L320-Y323 PolarHBondContact O-N 3.5Å
321	E	28.6	Very low	29.2	Very low	97 Å²	97	106.6 Å²	106.6	45%	0.453	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-37.5	173.4	-74.4	165	-151.3	0	0	111.1	S317 Y323 L324 R325	S317-E321 WeakPolarHBondContact CB-OE1 3.36Å; S317-E321 VanDerWaalsContact O-CB 3.23Å; S317-E321 WeakPolarHBondContact O-CB 3.21Å; S317-E321 WeakPolarHBondContact O-CG 3.5Å; S317-E321 PolarHBondContact O-N 3.16Å; S317-E321 PolarHBondContact OG-OE1 3.35Å; E321-Y323 VanDerWaalsContact C-N 3.32Å; E321-Y323 PolarHBondContact O-N 3.38Å; E321-L324 PolarHBondContact O-N 3.49Å; E321-R325 WeakPolarHBondContact O-CG 3.4Å
322	G	27.1	Very low	29.5	Very low	37 Å²	37	104.4 Å²	104.4	38%	0.381	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-29.8	176.5	0	0	0	0	0	115.1	T318 L320	T318-G322 PolarHBondContact O-N 3.36Å; L320-G322 PolarHBondContact O-N 2.95Å
323	Y	27.5	Very low	29.9	Very low	152 Å²	152	97 Å²	97	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-93.3	-6.1	-177.2	-77.1	-61.5	0	0	0	115.1	Q319 L320 E321	Q319-Y323 VanDerWaalsContact O-CD2 3.29Å; Q319-Y323 WeakPolarHBondContact O-CD2 3.19Å; L320-Y323 PolarHBondContact O-N 3.5Å; E321-Y323 VanDerWaalsContact C-N 3.32Å; E321-Y323 PolarHBondContact O-N 3.38Å
324	L	31.9	Very low	30.5	Very low	74 Å²	74	91.3 Å²	91.3	39%	0.387	47%	0.474	S	S	.	.			trans	-130.3	26.1	-176.7	-70.4	175.4	0	0	0	113.4	I276 E321 F326	I276-L324 HydrophobicContact CD1-CD1 4.07Å; I276-L324 HydrophobicContact CD1-CD2 3.9Å; I276-L324 HydrophobicContact CD1-CG 4.12Å; E321-L324 PolarHBondContact O-N 3.49Å; L324-F326 PolarHBondContact O-N 3.07Å
325	R	29.2	Very low	31.2	Very low	131 Å²	131	87.1 Å²	87.1	49%	0.494	45%	0.453	S	S	.	.			trans	-68.3	93.2	172.6	-89.3	174.9	173.9	-155.1	-2.3	112.2	E321 S327 E328 F329	E321-R325 WeakPolarHBondContact O-CG 3.4Å; R325-S327 WeakPolarHBondContact CG-OG 3.44Å; R325-S327 PolarHBondContact O-N 3Å; R325-E328 HydrophobicContact CB-CB 4.15Å; R325-E328 HydrophobicContact CB-CG 3.93Å; R325-E328 WeakPolarHBondContact CD-OE1 3.35Å; R325-E328 IonicContact NE-OE1 3.92Å; R325-E328 IonicContact NH1-OE1 2.9Å; R325-E328 PolarHBondContact NH1-OE1 3.2Å; R325-E328 PolarHBondContact O-N 2.84Å; R325-F329 VanDerWaalsContact O-CD2 3.31Å; R325-F329 WeakPolarHBondContact O-CD2 3.11Å
326	F	33.3	Very low	31.9	Very low	121 Å²	121	81.6 Å²	81.6	53%	0.531	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-4.3	158.3	-83.8	-74.1	0	0	0	113.8	L324 F329	L324-F326 PolarHBondContact O-N 3.07Å; F326-F329 HydrophobicContact CD1-CD2 4.11Å; F326-F329 HydrophobicContact CD1-CE2 4.01Å; F326-F329 HydrophobicContact CD1-CG 4.48Å; F326-F329 HydrophobicContact CD1-CZ 4.29Å; F326-F329 HydrophobicContact CE1-CE2 4.35Å; F326-F329 HydrophobicContact CE1-CZ 4.21Å; F326-F329 HydrophobicContact CG-CE2 4.46Å
327	S	31.8	Very low	32.7	Very low	83 Å²	83	80.5 Å²	80.5	58%	0.58	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.7	169.3	52.1	0	0	0	0	114.8	R325	R325-S327 WeakPolarHBondContact CG-OG 3.44Å; R325-S327 PolarHBondContact O-N 3Å
328	E	30.5	Very low	33.3	Very low	122 Å²	122	79.4 Å²	79.4	57%	0.57	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-9.5	170.8	-73.9	175	-161.3	0	0	112	R325 G330	R325-E328 HydrophobicContact CB-CB 4.15Å; R325-E328 HydrophobicContact CB-CG 3.93Å; R325-E328 WeakPolarHBondContact CD-OE1 3.35Å; R325-E328 IonicContact NE-OE1 3.92Å; R325-E328 IonicContact NH1-OE1 2.9Å; R325-E328 PolarHBondContact NH1-OE1 3.2Å; R325-E328 PolarHBondContact O-N 2.84Å; E328-G330 PolarHBondContact O-N 3.37Å
329	F	32.6	Very low	34.3	Very low	48 Å²	48	75.8 Å²	75.8	21%	0.211	40%	0.398	C	S	.	.	S	Bend	trans	-75.9	109.3	159.5	-59.4	-116.1	0	0	0	107	T269 R325 F326 V333	T269-F329 HydrophobicContact CG2-CE1 3.98Å; T269-F329 HydrophobicContact CG2-CZ 3.56Å; T269-F329 WeakPolarHBondContact OG1-CE1 3.29Å; T269-F329 WeakPolarHBondContact OG1-CZ 3.43Å; R325-F329 VanDerWaalsContact O-CD2 3.31Å; R325-F329 WeakPolarHBondContact O-CD2 3.11Å; F326-F329 HydrophobicContact CD1-CD2 4.11Å; F326-F329 HydrophobicContact CD1-CE2 4.01Å; F326-F329 HydrophobicContact CD1-CG 4.48Å; F326-F329 HydrophobicContact CD1-CZ 4.29Å; F326-F329 HydrophobicContact CE1-CE2 4.35Å; F326-F329 HydrophobicContact CE1-CZ 4.21Å; F326-F329 HydrophobicContact CG-CE2 4.46Å; F329-V333 HydrophobicContact CD1-CB 4.31Å; F329-V333 HydrophobicContact CD1-CG1 4.25Å; F329-V333 HydrophobicContact CD1-CG2 4.16Å
330	G	29.7	Very low	35.2	Very low	50 Å²	50	71.1 Å²	71.1	52%	0.515	38%	0.377	S	S	.	.			trans	-58.3	165.2	168.9	0	0	0	0	0	111.8	E328 D332	E328-G330 PolarHBondContact O-N 3.37Å; G330-D332 PolarHBondContact O-N 3.29Å
331	A	30.7	Very low	35.9	Very low	34 Å²	34	67.5 Å²	67.5	28%	0.281	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	28.1	-175.6	0	0	0	0	0	115.4	Q457	A331-Q457 HydrophobicContact CB-CB 4.4Å
332	D	34.5	Very low	36.8	Very low	110 Å²	110	65.3 Å²	65.3	59%	0.588	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-12.9	-175.7	-68.2	-25.6	0	0	0	113.3	G330 N334 K460	G330-D332 PolarHBondContact O-N 3.29Å; D332-N334 PolarHBondContact O-N 2.91Å; D332-K460 IonicContact OD1-NZ 3.91Å; D332-K460 PolarHBondContact OD1-NZ 2.99Å
333	V	35.6	Very low	37.6	Very low	39 Å²	39	63.7 Å²	63.7	24%	0.236	34%	0.337	C	S	.	.			trans	-88.9	109.7	-178.6	-177.9	0	0	0	0	111	F329 Y335	F329-V333 HydrophobicContact CD1-CB 4.31Å; F329-V333 HydrophobicContact CD1-CG1 4.25Å; F329-V333 HydrophobicContact CD1-CG2 4.16Å; V333-Y335 PolarHBondContact O-N 3.5Å
334	N	42.6	Very low	38.4	Very low	47 Å²	47	61.5 Å²	61.5	25%	0.251	33%	0.33	S	S	.	.			trans	-67.7	126.5	-178.9	-175.9	-27.8	0	0	0	111.9	D332 H336 E337 A338 A468	D332-N334 PolarHBondContact O-N 2.91Å; N334-H336 PolarHBondContact O-N 2.68Å; N334-H336 WeakPolarHBondContact OD1-CB 3.41Å; N334-H336 PolarHBondContact OD1-N 3.1Å; N334-E337 HydrophobicContact CB-CB 4.28Å; N334-E337 HydrophobicContact CB-CG 4.08Å; N334-E337 WeakPolarHBondContact O-CA 3.42Å; N334-E337 WeakPolarHBondContact O-CB 3.38Å; N334-E337 PolarHBondContact O-N 3.19Å; N334-A338 PolarHBondContact O-N 3.5Å; N334-A468 VanDerWaalsContact OD1-CB 3.24Å; N334-A468 WeakPolarHBondContact OD1-CB 3.46Å
335	Y	41.4	Very low	38.8	Very low	41 Å²	41	60 Å²	60	16%	0.161	32%	0.323	C	S	.	.	H	α-helix	trans	-51.8	-37.7	177.3	179	-109.4	0	0	0	113.9	V333 A338 L339 V537 P593 A596	V333-Y335 PolarHBondContact O-N 3.5Å; Y335-A338 PolarHBondContact O-N 2.8Å; Y335-L339 HydrophobicContact CD1-CD1 4.02Å; Y335-L339 HydrophobicContact CE1-CD1 3.53Å; Y335-L339 HydrophobicContact CE2-CD1 4.39Å; Y335-L339 PolarHBondContact O-N 3.43Å; Y335-V537 HydrophobicContact CD2-CG1 4.03Å; Y335-V537 HydrophobicContact CE2-CG1 4.37Å; Y335-P593 HydrophobicContact CE2-CG 3.94Å; Y335-A596 VanDerWaalsContact OH-CA 3.28Å; Y335-A596 WeakPolarHBondContact OH-CA 3.38Å; Y335-A596 WeakPolarHBondContact OH-CB 3.44Å; Y335-A596 PolarHBondContact OH-N 3.4Å; Y335-A596 VanDerWaalsContact OH-N 3.14Å
336	H	43.7	Very low	39.3	Very low	57 Å²	57	54.5 Å²	54.5	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-73.8	-30.5	177.4	-173.1	67.9	0	0	0	112.5	N334 L340 A468	N334-H336 PolarHBondContact O-N 2.68Å; N334-H336 WeakPolarHBondContact OD1-CB 3.41Å; N334-H336 PolarHBondContact OD1-N 3.1Å; H336-L340 WeakPolarHBondContact NE2-CD1 3.37Å; H336-L340 VanDerWaalsContact O-CB 3.31Å; H336-L340 WeakPolarHBondContact O-CB 3.44Å; H336-L340 VanDerWaalsContact O-CG 3.24Å; H336-L340 WeakPolarHBondContact O-CG 3.29Å; H336-L340 PolarHBondContact O-N 2.93Å; H336-A468 HydrophobicContact CB-CB 3.8Å
337	E	44.3	Very low	39.7	Very low	51 Å²	51	51.7 Å²	51.7	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-39.4	171.1	-69.9	-169.1	163.8	0	0	111.5	N334 L339 L340 A341	N334-E337 HydrophobicContact CB-CB 4.28Å; N334-E337 HydrophobicContact CB-CG 4.08Å; N334-E337 WeakPolarHBondContact O-CA 3.42Å; N334-E337 WeakPolarHBondContact O-CB 3.38Å; N334-E337 PolarHBondContact O-N 3.19Å; E337-L339 PolarHBondContact O-N 2.86Å; E337-L340 PolarHBondContact O-N 2.8Å; E337-A341 VanDerWaalsContact O-CB 3.29Å; E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 3.4Å
338	A	42.4	Very low	39.9	Very low	45 Å²	45	51.1 Å²	51.1	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-43.6	173.9	0	0	0	0	0	111.9	N334 Y335 A341 L342	N334-A338 PolarHBondContact O-N 3.5Å; Y335-A338 PolarHBondContact O-N 2.8Å; A338-A341 PolarHBondContact O-N 2.79Å; A338-L342 WeakPolarHBondContact O-CB 3.43Å; A338-L342 PolarHBondContact O-N 3.24Å
339	L	47.1	Very low	40	Very low	17 Å²	17	46.9 Å²	46.9	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-44.8	173.4	-77.9	169.3	0	0	0	112.6	Y335 E337 A341 L342 V343 F559 V563	Y335-L339 HydrophobicContact CD1-CD1 4.02Å; Y335-L339 HydrophobicContact CE1-CD1 3.53Å; Y335-L339 HydrophobicContact CE2-CD1 4.39Å; Y335-L339 PolarHBondContact O-N 3.43Å; E337-L339 PolarHBondContact O-N 2.86Å; L339-A341 VanDerWaalsContact C-N 3.28Å; L339-A341 PolarHBondContact O-N 3.15Å; L339-L342 WeakPolarHBondContact O-CB 3.44Å; L339-L342 PolarHBondContact O-N 2.75Å; L339-V343 WeakPolarHBondContact O-CG2 3.01Å; L339-V343 PolarHBondContact O-N 3.27Å; L339-F559 HydrophobicContact CD2-CE2 4.35Å; L339-F559 HydrophobicContact CD2-CZ 4.48Å; L339-V563 HydrophobicContact CD1-CG1 4.1Å; L339-V563 HydrophobicContact CD2-CG1 4.43Å
340	L	46.1	Very low	40.1	Very low	30 Å²	30	47.7 Å²	47.7	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-34.7	176.6	-76.9	172.9	0	0	0	112.3	H336 E337 K344 Y397 M567	H336-L340 WeakPolarHBondContact NE2-CD1 3.37Å; H336-L340 VanDerWaalsContact O-CB 3.31Å; H336-L340 WeakPolarHBondContact O-CB 3.44Å; H336-L340 VanDerWaalsContact O-CG 3.24Å; H336-L340 WeakPolarHBondContact O-CG 3.29Å; H336-L340 PolarHBondContact O-N 2.93Å; E337-L340 PolarHBondContact O-N 2.8Å; L340-K344 WeakPolarHBondContact O-CB 3.37Å; L340-K344 WeakPolarHBondContact O-CD 3.46Å; L340-K344 VanDerWaalsContact O-CG 3.23Å; L340-K344 WeakPolarHBondContact O-CG 3.33Å; L340-K344 PolarHBondContact O-N 2.87Å; L340-Y397 WeakPolarHBondContact CD1-OH 3.31Å; L340-M567 HydrophobicContact CD2-SD 4.28Å
341	A	44.3	Very low	40.2	Very low	32 Å²	32	49.6 Å²	49.6	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-67.7	-44	172.8	0	0	0	0	0	111.3	E337 A338 L339 V343 K344 L345	E337-A341 VanDerWaalsContact O-CB 3.29Å; E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 3.4Å; A338-A341 PolarHBondContact O-N 2.79Å; L339-A341 VanDerWaalsContact C-N 3.28Å; L339-A341 PolarHBondContact O-N 3.15Å; A341-V343 PolarHBondContact O-N 2.94Å; A341-K344 PolarHBondContact O-N 3.01Å; A341-L345 WeakPolarHBondContact O-CB 3.49Å; A341-L345 PolarHBondContact O-N 2.81Å
342	L	46.3	Very low	40.3	Very low	50 Å²	50	52.1 Å²	52.1	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-48.9	177.7	-173	73.5	0	0	0	112.1	A338 L339 L345 C346 L588 L592	A338-L342 WeakPolarHBondContact O-CB 3.43Å; A338-L342 PolarHBondContact O-N 3.24Å; L339-L342 WeakPolarHBondContact O-CB 3.44Å; L339-L342 PolarHBondContact O-N 2.75Å; L342-L345 VanDerWaalsContact O-CB 3.22Å; L342-L345 WeakPolarHBondContact O-CB 3.41Å; L342-L345 PolarHBondContact O-N 3.22Å; L342-C346 PolarHBondContact O-N 3.33Å; L342-C346 VanDerWaalsContact O-N 3.16Å; L342-C346 PolarHBondContact O-SG 3.35Å; L342-L588 HydrophobicContact CD2-CD1 4.44Å; L342-L592 HydrophobicContact CD2-CD2 4.07Å
343	V	44.6	Very low	39.9	Very low	3 Å²	3	51.1 Å²	51.1	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-77.3	-28.9	-177.2	-159.8	0	0	0	0	112.4	L339 A341 L345 C346 Q347 L564 L570 F574	L339-V343 WeakPolarHBondContact O-CG2 3.01Å; L339-V343 PolarHBondContact O-N 3.27Å; A341-V343 PolarHBondContact O-N 2.94Å; V343-L345 VanDerWaalsContact C-N 3.29Å; V343-L345 PolarHBondContact O-N 3.41Å; V343-C346 WeakPolarHBondContact O-CB 3.45Å; V343-C346 PolarHBondContact O-N 3.4Å; V343-C346 VanDerWaalsContact O-N 3.14Å; V343-Q347 WeakPolarHBondContact O-CG 3.35Å; V343-Q347 PolarHBondContact O-N 2.65Å; V343-L564 HydrophobicContact CG2-CD2 4.24Å; V343-L570 HydrophobicContact CB-CD1 4Å; V343-L570 HydrophobicContact CB-CD2 4.14Å; V343-L570 HydrophobicContact CB-CG 4.16Å; V343-L570 HydrophobicContact CG1-CD1 3.53Å; V343-L570 HydrophobicContact CG1-CD2 4.18Å; V343-L570 HydrophobicContact CG1-CG 3.65Å; V343-L570 HydrophobicContact CG2-CD2 4.45Å; V343-F574 HydrophobicContact CG1-CB 4.3Å; V343-F574 HydrophobicContact CG1-CD2 4.32Å
344	K	43.6	Very low	39.5	Very low	107 Å²	107	54.5 Å²	54.5	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-36.2	166.4	-76.5	170.1	-174.7	164	0	112.1	L340 A341 C346 Q347 E348	L340-K344 WeakPolarHBondContact O-CB 3.37Å; L340-K344 WeakPolarHBondContact O-CD 3.46Å; L340-K344 VanDerWaalsContact O-CG 3.23Å; L340-K344 WeakPolarHBondContact O-CG 3.33Å; L340-K344 PolarHBondContact O-N 2.87Å; A341-K344 PolarHBondContact O-N 3.01Å; K344-C346 VanDerWaalsContact C-N 3.31Å; K344-C346 PolarHBondContact O-N 2.89Å; K344-Q347 PolarHBondContact O-N 3.17Å; K344-E348 PolarHBondContact O-N 2.77Å
345	L	41	Very low	38.6	Very low	43 Å²	43	58.2 Å²	58.2	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-40	171.5	-108.6	160.3	0	0	0	111.4	M270 L274 A341 L342 V343 A349	M270-L345 HydrophobicContact CE-CD1 4.04Å; M270-L345 HydrophobicContact CE-CG 4.27Å; M270-L345 HydrophobicContact CG-CD1 4.19Å; L274-L345 HydrophobicContact CD2-CD2 4.29Å; A341-L345 WeakPolarHBondContact O-CB 3.49Å; A341-L345 PolarHBondContact O-N 2.81Å; L342-L345 VanDerWaalsContact O-CB 3.22Å; L342-L345 WeakPolarHBondContact O-CB 3.41Å; L342-L345 PolarHBondContact O-N 3.22Å; V343-L345 VanDerWaalsContact C-N 3.29Å; V343-L345 PolarHBondContact O-N 3.41Å; L345-A349 WeakPolarHBondContact O-CB 3.27Å; L345-A349 PolarHBondContact O-N 3.06Å
346	C	39.3	Very low	37.9	Very low	15 Å²	15	65.2 Å²	65.2	10%	0.101	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-39.7	172.8	-60.6	0	0	0	0	112.9	L342 V343 K344 S350 F577	L342-C346 PolarHBondContact O-N 3.33Å; L342-C346 VanDerWaalsContact O-N 3.16Å; L342-C346 PolarHBondContact O-SG 3.35Å; V343-C346 WeakPolarHBondContact O-CB 3.45Å; V343-C346 PolarHBondContact O-N 3.4Å; V343-C346 VanDerWaalsContact O-N 3.14Å; K344-C346 VanDerWaalsContact C-N 3.31Å; K344-C346 PolarHBondContact O-N 2.89Å; C346-S350 PolarHBondContact O-N 3.46Å; C346-S350 VanDerWaalsContact O-N 3.12Å; C346-F577 HydrophobicContact CB-CB 4.27Å; C346-F577 HydrophobicContact CB-CD1 4.07Å; C346-F577 HydrophobicContact CB-CD2 3.85Å; C346-F577 HydrophobicContact CB-CE1 4.43Å; C346-F577 HydrophobicContact CB-CE2 4.23Å; C346-F577 HydrophobicContact CB-CG 3.78Å; C346-F577 WeakPolarHBondContact O-CD2 3.45Å
347	Q	40.5	Very low	36.9	Very low	61 Å²	61	67 Å²	67	29%	0.285	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-40.8	176.4	-69.4	174.7	-49.9	0	0	112.9	V343 K344 S350 S351 L570 D573	V343-Q347 WeakPolarHBondContact O-CG 3.35Å; V343-Q347 PolarHBondContact O-N 2.65Å; K344-Q347 PolarHBondContact O-N 3.17Å; Q347-S350 PolarHBondContact O-OG 2.99Å; Q347-S351 PolarHBondContact O-N 3.32Å; Q347-S351 PolarHBondContact O-OG 3.23Å; Q347-L570 HydrophobicContact CG-CD1 4.47Å; Q347-D573 HydrophobicContact CG-CB 4.09Å; Q347-D573 PolarHBondContact NE2-OD2 3.19Å
348	E	37.2	Very low	36	Very low	72 Å²	72	71.8 Å²	71.8	34%	0.336	42%	0.416	S	S	.	.	H	α-helix	trans	-77.1	-29.8	177.6	-63.2	-162.9	172.5	0	0	111.7	K257 Y258 K344 S351 T352	K257-E348 IonicContact NZ-OE1 3.3Å; K257-E348 PolarHBondContact NZ-OE1 2.97Å; K257-E348 IonicContact NZ-OE2 3.71Å; K257-E348 PolarHBondContact NZ-OE2 2.81Å; Y258-E348 PolarHBondContact OH-OE1 3.25Å; K344-E348 PolarHBondContact O-N 2.77Å; E348-S351 WeakPolarHBondContact CA-OG 3.17Å; E348-S351 PolarHBondContact O-N 3.24Å; E348-S351 PolarHBondContact O-OG 3.19Å; E348-T352 WeakPolarHBondContact O-CB 3.24Å; E348-T352 VanDerWaalsContact O-CG2 3.27Å; E348-T352 WeakPolarHBondContact O-CG2 3.34Å; E348-T352 PolarHBondContact O-N 3.43Å; E348-T352 PolarHBondContact O-OG1 3.1Å
349	A	33	Very low	35.2	Very low	33 Å²	33	77.5 Å²	77.5	27%	0.273	44%	0.439	S	S	.	.	H	α-helix	trans	-66.7	-36.4	172.2	0	0	0	0	0	113.5	L345 S351 F577	L345-A349 WeakPolarHBondContact O-CB 3.27Å; L345-A349 PolarHBondContact O-N 3.06Å; A349-S351 VanDerWaalsContact C-N 3.35Å; A349-F577 HydrophobicContact CB-CE2 4.08Å
350	S	33.2	Very low	34.2	Very low	65 Å²	65	82.6 Å²	82.6	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-72.3	-27.6	176.8	69.1	0	0	0	0	113.3	C346 Q347	C346-S350 PolarHBondContact O-N 3.46Å; C346-S350 VanDerWaalsContact O-N 3.12Å; Q347-S350 PolarHBondContact O-OG 2.99Å
351	S	33.5	Very low	33	Very low	90 Å²	90	90.6 Å²	90.6	63%	0.629	51%	0.507	S	S	*	.	H	α-helix	trans	-95.8	-10.1	-174.1	50.4	0	0	0	0	115.2	Q347 E348 A349	Q347-S351 PolarHBondContact O-N 3.32Å; Q347-S351 PolarHBondContact O-OG 3.23Å; E348-S351 WeakPolarHBondContact CA-OG 3.17Å; E348-S351 PolarHBondContact O-N 3.24Å; E348-S351 PolarHBondContact O-OG 3.19Å; A349-S351 VanDerWaalsContact C-N 3.35Å
352	T	31.6	Very low	32.2	Very low	87 Å²	87	93.3 Å²	93.3	53%	0.534	52%	0.524	S	S	.	.	S	Bend	trans	-106.3	-1.9	-178.7	54.8	0	0	0	0	115.8	E348 P354	E348-T352 WeakPolarHBondContact O-CB 3.24Å; E348-T352 VanDerWaalsContact O-CG2 3.27Å; E348-T352 WeakPolarHBondContact O-CG2 3.34Å; E348-T352 PolarHBondContact O-N 3.43Å; E348-T352 PolarHBondContact O-OG1 3.1Å; T352-P354 WeakPolarHBondContact O-CD 3.42Å
353	I	27	Very low	31.3	Very low	89 Å²	89	99 Å²	99	46%	0.456	55%	0.549	S	S	.	.	S	Bend	trans	-86.6	115.6	175.3	-61.9	173.1	0	0	0	109.7	V355	I353-V355 PolarHBondContact O-N 3.47Å
354	P	26	Very low	30.6	Very low	110 Å²	110	107.3 Å²	107.3	71%	0.714	59%	0.588	S	S	*	*			trans	-71.2	116.4	173.8	-13.4	29.8	0	0	0	109.8	T352 Q356	T352-P354 WeakPolarHBondContact O-CD 3.42Å; P354-Q356 PolarHBondContact O-N 3.48Å
355	V	25.2	Very low	29.6	Very low	124 Å²	124	112.6 Å²	112.6	75%	0.752	61%	0.605	S	S	*	*			trans	-64.1	107.2	170.3	178.4	0	0	0	0	108.4	I353 S357	I353-V355 PolarHBondContact O-N 3.47Å; V355-S357 PolarHBondContact O-N 2.96Å
356	Q	25.4	Very low	28.9	Very low	188 Å²	188	118 Å²	118	88%	0.879	63%	0.634	S	S	*	*			trans	-74.7	75	169.4	-76.1	-165.3	-28	0	0	110.1	P354 N358	P354-Q356 PolarHBondContact O-N 3.48Å; Q356-N358 PolarHBondContact O-N 3.48Å; Q356-N358 VanDerWaalsContact O-N 3.11Å
357	S	22.4	Very low	28.4	Very low	95 Å²	95	122.2 Å²	122.2	66%	0.664	66%	0.663	S	S	*	*			trans	-73.3	93.9	172.8	42.8	0	0	0	0	110.9	V355	V355-S357 PolarHBondContact O-N 2.96Å
358	N	25.5	Very low	27.8	Very low	151 Å²	151	126 Å²	126	81%	0.807	68%	0.684	S	S	*	*			trans	-158	151.4	162.7	-96.4	-55.8	0	0	0	110.4	Q356	Q356-N358 PolarHBondContact O-N 3.48Å; Q356-N358 VanDerWaalsContact O-N 3.11Å
359	I	25.5	Very low	27.2	Very low	165 Å²	165	129 Å²	129	85%	0.846	70%	0.702	S	S	*	*	S	Bend	trans	73.8	117.8	-177.9	-48	169.9	0	0	0	114.1
360	V	26.2	Very low	26.8	Very low	124 Å²	124	135.9 Å²	135.9	75%	0.752	73%	0.726	S	S	*	*			cis	-153.2	136.1	-20.4	119.8	0	0	0	0	107.1
361	E	22.7	Very low	26.6	Very low	199 Å²	199	137.5 Å²	137.5	93%	0.93	74%	0.737	S	S	*	*			trans	-101.3	118.8	161.7	-88.5	-160.3	131	0	0	109.7
362	S	26.8	Very low	26.3	Very low	88 Å²	88	141.9 Å²	141.9	62%	0.615	75%	0.748	S	S	*	*			trans	-162.8	144.9	149.7	75.1	0	0	0	0	111.6
363	Q	27	Very low	26	Very low	171 Å²	171	142 Å²	142	80%	0.799	75%	0.752	S	S	*	*			trans	66.4	109.2	173.1	-45.3	-175	21.6	0	0	113.9
364	H	29.8	Very low	25.9	Very low	177 Å²	177	145 Å²	145	82%	0.819	77%	0.768	S	S	*	*			cis	-143.6	144.2	38.7	-116.1	-91.4	0	0	0	114.2
365	R	23.6	Very low	25.7	Very low	218 Å²	218	145.2 Å²	145.2	82%	0.823	77%	0.771	S	S	*	*			trans	-93.3	149.3	165.4	-61.7	178.9	177.4	178.1	-0.9	110.5
366	N	26.5	Very low	25.6	Very low	156 Å²	156	145.9 Å²	145.9	83%	0.834	78%	0.775	S	S	*	*				159.6	102.4	115.7	-80.9	-23.8	0	0	0	114
367	S	28.2	Very low	25.5	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	77%	0.771	S	S	*	*			trans	-174.4	96.7	144.7	-160.2	0	0	0	0	108.5
368	I	26.6	Very low	25.6	Very low	140 Å²	140	143.5 Å²	143.5	72%	0.718	78%	0.779	S	S	*	*				66.4	90.6	97	-62.7	167.4	0	0	0	111.2
369	N	25.7	Very low	25.4	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	78%	0.78	S	S	*	*				73.1	137.1	98.9	-74.1	-49.9	0	0	0	114.3
370	K	24.9	Very low	25.3	Very low	178 Å²	178	145.8 Å²	145.8	77%	0.774	78%	0.783	S	S	*	*			cis	-164.5	165.2	19.8	-133	169.4	-170.5	-180	0	113.4
371	S	28.2	Very low	25.1	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	78%	0.782	S	S	*	*			trans	71.6	149.3	161.7	17.9	0	0	0	0	117.8
372	H	28.5	Very low	25.1	Very low	183 Å²	183	147.2 Å²	147.2	85%	0.847	78%	0.777	S	S	*	*			cis	-157.5	175.6	-8.2	-121.8	-178.4	0	0	0	114.5
373	S	24.8	Very low	24.8	Very low	90 Å²	90	150 Å²	150	63%	0.629	78%	0.781	S	S	*	*			trans	-79.8	172.2	169.9	50.5	0	0	0	0	112.7
374	L	24.6	Very low	24.7	Very low	152 Å²	152	146.8 Å²	146.8	80%	0.796	78%	0.776	S	S	*	*			cis	-131.6	169.5	19.5	-59.1	75.9	0	0	0	110.8
375	C	20.6	Very low	24.5	Very low	114 Å²	114	146.5 Å²	146.5	77%	0.77	78%	0.776	S	S	*	*			cis	82.4	116.9	19.6	-169.3	0	0	0	0	117.9
376	V	24.9	Very low	24.5	Very low	137 Å²	137	141.4 Å²	141.4	83%	0.83	77%	0.773	S	S	*	*			trans	173	151.1	141	147.2	0	0	0	0	110.2
377	S	21.6	Very low	24.4	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	77%	0.773	S	S	*	*			trans	-130.5	151.5	-177.4	54.5	0	0	0	0	112.8
378	S	26	Very low	24.2	Very low	119 Å²	119	139.8 Å²	139.8	83%	0.832	77%	0.772	S	S	*	*			trans	-162.6	139.9	165.9	54.9	0	0	0	0	112.8
379	Q	20.8	Very low	24.2	Very low	177 Å²	177	141.1 Å²	141.1	83%	0.827	78%	0.78	S	S	*	*			trans	-83.5	157.9	172.5	-60.4	157.2	-99.2	0	0	111.9
380	M	22.9	Very low	24.2	Very low	187 Å²	187	140.7 Å²	140.7	92%	0.921	79%	0.786	S	S	*	*				-171.4	153.8	124.5	-106.4	176.4	174.2	0	0	112.2
381	D	22	Very low	24.2	Very low	135 Å²	135	138.6 Å²	138.6	72%	0.722	79%	0.789	S	S	*	*			trans	-91.7	159.8	-171.2	-43.4	-91.7	0	0	0	113.5
382	W	23.2	Very low	24.1	Very low	218 Å²	218	142.8 Å²	142.8	83%	0.826	80%	0.795	S	S	*	*				170.9	119.2	116.6	-100.5	74	0	0	0	113.8
383	E	21.3	Very low	24.1	Very low	148 Å²	148	139.7 Å²	139.7	69%	0.692	79%	0.794	S	S	*	*			trans	33.4	114.4	144.9	-57.8	-159.8	152.5	0	0	124.3
384	S	23.6	Very low	24.3	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	80%	0.802	S	S	*	*				102.3	162.1	115.3	79.4	0	0	0	0	122.9
385	Q	25.3	Very low	24.4	Very low	171 Å²	171	142.8 Å²	142.8	80%	0.799	80%	0.803	S	S	*	*			trans	79.8	64.1	166.3	-55.4	-166.3	37.8	0	0	120.3
386	S	24.5	Very low	24.8	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	80%	0.797	S	S	*	*				44	125.6	118.9	63.5	0	0	0	0	121.9
387	S	24.5	Very low	25	Very low	119 Å²	119	143 Å²	143	83%	0.832	78%	0.782	S	S	*	*			trans	-135.3	124.2	141.7	-173.5	0	0	0	0	109.9
388	P	24.6	Very low	25.3	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	79%	0.785	S	S	*	*			trans	-99.3	119.7	-169.7	34.8	-31.3	0	0	0	113.4
389	N	26.6	Very low	25.4	Very low	168 Å²	168	144.3 Å²	144.3	90%	0.898	78%	0.778	S	S	*	*			trans	-159.3	11.5	164.6	-107.6	-30.1	0	0	0	117.4
390	C	25.2	Very low	25.8	Very low	126 Å²	126	141.9 Å²	141.9	85%	0.851	78%	0.775	S	S	*	*			trans	-117.9	51.5	-175.5	-156.2	0	0	0	0	114
391	T	24.7	Very low	26	Very low	134 Å²	134	138.6 Å²	138.6	82%	0.822	76%	0.761	S	S	*	*			trans	-150.2	96.1	177	34.2	0	0	0	0	112
392	K	25.4	Very low	26.3	Very low	186 Å²	186	138 Å²	138	81%	0.809	76%	0.758	S	S	*	*			trans	-150.1	-16.8	170.5	-114.9	163.5	-168.1	168.4	0	117.6	N394	K392-N394 VanDerWaalsContact C-N 3.3Å; K392-N394 PolarHBondContact O-N 2.9Å
393	S	28.1	Very low	26.5	Very low	119 Å²	119	133 Å²	133	83%	0.832	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-9.7	-177.6	-39.4	0	0	0	0	115.1
394	N	29.5	Very low	26.6	Very low	148 Å²	148	133.8 Å²	133.8	79%	0.791	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	21.5	-170.1	-97.8	-36.4	0	0	0	115.3	K392	K392-N394 VanDerWaalsContact C-N 3.3Å; K392-N394 PolarHBondContact O-N 2.9Å
395	L	27.3	Very low	26.9	Very low	158 Å²	158	133.8 Å²	133.8	83%	0.827	76%	0.757	S	S	*	*	S	Bend	trans	-127.6	11.6	-172.3	-84.6	171.5	0	0	0	116.3
396	I	28.4	Very low	26.9	Very low	125 Å²	125	134.1 Å²	134.1	64%	0.641	76%	0.759	S	S	*	*	S	Bend	trans	-112.4	-13.7	177.4	-60	180	0	0	0	112.3	N398	I396-N398 VanDerWaalsContact C-N 3.25Å; I396-N398 PolarHBondContact O-N 2.87Å
397	Y	29.3	Very low	27.1	Very low	131 Å²	131	137.5 Å²	137.5	51%	0.514	76%	0.763	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-0.4	-171.2	-126.8	-86.3	0	0	0	116.7	L340	L340-Y397 WeakPolarHBondContact CD1-OH 3.31Å
398	N	27.6	Very low	27.2	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	26.7	-168.9	-72.5	-50.2	0	0	0	114	I396	I396-N398 VanDerWaalsContact C-N 3.25Å; I396-N398 PolarHBondContact O-N 2.87Å
399	S	27.6	Very low	27.2	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	77%	0.765	S	S	*	*	S	Bend	trans	-141.5	19.5	-178.6	70.8	0	0	0	0	115.9
400	V	29.4	Very low	27.3	Very low	126 Å²	126	138.3 Å²	138.3	76%	0.764	76%	0.758	S	S	*	*	S	Bend	trans	-119.7	-16.1	179.4	-173.6	0	0	0	0	112.1
401	L	28.7	Very low	27.3	Very low	119 Å²	119	137.7 Å²	137.7	62%	0.623	75%	0.751	S	S	*	*	S	Bend	trans	-96.9	134.4	-179.6	-64.1	168.6	0	0	0	111.4
402	N	27.4	Very low	27.6	Very low	121 Å²	121	137.5 Å²	137.5	65%	0.647	75%	0.745	S	S	*	*			trans	65.8	149.3	-178.4	-94.9	-38.4	0	0	0	116.8	L404 T405	N402-L404 PolarHBondContact OD1-N 3.38Å; N402-L404 VanDerWaalsContact OD1-N 3.12Å; N402-T405 PolarHBondContact OD1-OG1 3.49Å
403	P	26.9	Very low	27.8	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	74%	0.74	S	S	*	*			cis	-116.5	125	21	36.5	-23.2	0	0	0	116.4
404	L	24.5	Very low	27.8	Very low	163 Å²	163	136.9 Å²	136.9	85%	0.853	74%	0.74	S	S	*	*			trans	-133.2	48.2	150.4	-89.8	-177.7	0	0	0	110.9	N402	N402-L404 PolarHBondContact OD1-N 3.38Å; N402-L404 VanDerWaalsContact OD1-N 3.12Å
405	T	28.9	Very low	27.9	Very low	102 Å²	102	137.4 Å²	137.4	63%	0.626	74%	0.743	S	S	*	*			trans	-135.6	78	173.9	47.7	0	0	0	0	111.4	N402	N402-T405 PolarHBondContact OD1-OG1 3.49Å
406	Q	25.9	Very low	27.9	Very low	178 Å²	178	132.3 Å²	132.3	83%	0.832	73%	0.728	S	S	*	*			trans	-140	59.4	161.7	-78	-157.8	-29.6	0	0	111.6
407	Q	28.4	Very low	27.9	Very low	183 Å²	183	133 Å²	133	86%	0.855	74%	0.742	S	S	*	*			trans	-110.4	99	148.5	-78.8	-169.9	-14.3	0	0	107.7	I409	Q407-I409 PolarHBondContact O-N 3.36Å
408	N	26.9	Very low	27.9	Very low	148 Å²	148	130.5 Å²	130.5	79%	0.791	76%	0.757	S	S	*	*			trans	-77.5	99.8	176.3	-74.4	-10.2	0	0	0	109.3
409	I	25.2	Very low	28.1	Very low	154 Å²	154	126 Å²	126	79%	0.79	75%	0.749	S	S	*	*			trans	-101.5	99.6	159.1	-58.2	178.3	0	0	0	107.2	Q407	Q407-I409 PolarHBondContact O-N 3.36Å
410	S	27.4	Very low	28.3	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	75%	0.753	S	S	*	*			trans	-125.9	110.5	162.6	59.4	0	0	0	0	107.9
411	T	26.6	Very low	28.5	Very low	114 Å²	114	126.9 Å²	126.9	70%	0.699	74%	0.741	S	S	*	*			trans	-68.2	135.4	165	55.8	0	0	0	0	108.6
412	D	29.6	Very low	28.7	Very low	130 Å²	130	131 Å²	131	70%	0.695	75%	0.748	S	S	*	*				169.2	120.7	116.8	-81	-5	0	0	0	112.1
413	I	30.3	Very low	28.8	Very low	137 Å²	137	133.9 Å²	133.9	70%	0.703	76%	0.755	S	S	*	*			trans	67.7	113.1	139.1	-56.5	170.1	0	0	0	119.2
414	D	27.9	Very low	28.8	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	76%	0.755	S	S	*	*			trans	43.3	138.3	141	-50.6	-10.2	0	0	0	120.7
415	D	30.8	Very low	29.2	Very low	159 Å²	159	129 Å²	129	85%	0.85	75%	0.746	S	S	*	*			cis	-163.3	165.6	1.2	-170.6	51.9	0	0	0	106.9
416	G	28.3	Very low	29.4	Very low	51 Å²	51	130.8 Å²	130.8	53%	0.526	75%	0.752	S	S	.	*			cis	169.5	178.2	1.2	0	0	0	0	0	112.8
417	C	28	Very low	29.8	Very low	138 Å²	138	129.1 Å²	129.1	93%	0.932	75%	0.749	S	S	*	*			trans	60.1	145.7	177.5	-61.2	0	0	0	0	117.2
418	G	29.4	Very low	30	Very low	79 Å²	79	127 Å²	127	81%	0.814	74%	0.744	S	S	*	*			cis	162.2	145.6	-7.9	0	0	0	0	0	112.8
419	G	31.4	Very low	30.3	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	74%	0.742	S	S	*	*			trans	104.1	122.6	176.8	0	0	0	0	0	113.8
420	N	32.9	Very low	30.7	Very low	148 Å²	148	125.2 Å²	125.2	79%	0.791	74%	0.739	S	S	*	*				79.9	138.4	62.2	-73	41	0	0	0	112.3
421	D	33	Very low	30.9	Very low	95 Å²	95	126.4 Å²	126.4	51%	0.508	74%	0.737	S	S	.	*			cis	-165.3	152.7	12.4	-129	-44.8	0	0	0	112.5
422	R	32.1	Very low	31.2	Very low	207 Å²	207	127.2 Å²	127.2	78%	0.781	74%	0.738	S	S	*	*			trans	63.1	168.9	151.9	-68.8	159.1	-132.3	-179.1	10.5	121.6
423	K	31.2	Very low	31.2	Very low	180 Å²	180	124.6 Å²	124.6	78%	0.783	73%	0.734	S	S	*	*			cis	176.8	140	-48.6	-128.7	-170.3	176.6	-168.4	0	110.4
424	C	26.9	Very low	31.2	Very low	111 Å²	111	124 Å²	124	75%	0.75	74%	0.737	S	S	*	*			trans	60.9	160.5	169.7	-51.9	0	0	0	0	114
425	G	31.4	Very low	31.2	Very low	65 Å²	65	121.7 Å²	121.7	67%	0.67	73%	0.733	S	S	*	*			cis	160.2	168.5	0.9	0	0	0	0	0	110.4
426	D	33.3	Very low	31.2	Very low	139 Å²	139	119.9 Å²	119.9	74%	0.743	73%	0.733	S	S	*	*			cis	-161.9	-173.3	-11.3	-70.8	-50.4	0	0	0	107.6
427	D	34.5	Very low	31.1	Very low	143 Å²	143	125 Å²	125	77%	0.765	75%	0.748	S	S	*	*			trans	63.2	105.9	159.5	-50.3	-15.9	0	0	0	124.1
428	D	33.8	Very low	31.1	Very low	140 Å²	140	124 Å²	124	75%	0.749	74%	0.74	S	S	*	*				83.2	145	112.3	-59.5	-10.7	0	0	0	129
429	D	33.2	Very low	30.8	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	74%	0.742	S	S	*	*			trans	74.2	81.3	147.1	-68.2	-6.4	0	0	0	125.5
430	V	32.3	Very low	30.6	Very low	123 Å²	123	131 Å²	131	75%	0.745	75%	0.746	S	S	*	*				27.6	135.3	103	-165.5	0	0	0	0	120.3
431	D	32.8	Very low	30.3	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	75%	0.75	S	S	*	*			trans	154.3	154.4	131.6	-113.1	2	0	0	0	112.1
432	N	31.9	Very low	29.8	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	77%	0.767	S	S	*	*			cis	-148.2	-176.4	-11.6	-147.2	-55.5	0	0	0	103.8
433	A	30.2	Very low	29.6	Very low	75 Å²	75	128.2 Å²	128.2	62%	0.62	77%	0.77	S	S	*	*			cis	-163.3	-174.7	11.2	0	0	0	0	0	108.1
434	T	30.4	Very low	29.3	Very low	123 Å²	123	128.6 Å²	128.6	76%	0.755	77%	0.772	S	S	*	*			cis	-143.7	153.7	15.8	51.8	0	0	0	0	114.1
435	S	27.6	Very low	29.4	Very low	107 Å²	107	130 Å²	130	75%	0.748	77%	0.771	S	S	*	*			trans	17	113.6	150.2	64.4	0	0	0	0	121.9
436	S	30.5	Very low	29.2	Very low	122 Å²	122	133.1 Å²	133.1	85%	0.853	77%	0.773	S	S	*	*				-162.8	157.1	110	36.7	0	0	0	0	112
437	N	27.3	Very low	28.9	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	78%	0.778	S	S	*	*			trans	-44.3	154.5	-161.5	-64.6	-21.4	0	0	0	119.2
438	P	27	Very low	28.8	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	77%	0.773	S	S	*	*			trans	-79.9	-172.9	-174.6	35.4	-39.2	0	0	0	114.9
439	I	23.9	Very low	28.7	Very low	166 Å²	166	134.5 Å²	134.5	85%	0.851	77%	0.765	S	S	*	*			trans	82.4	40.4	-178.6	-35.4	171.5	0	0	0	114.7
440	V	27	Very low	28.6	Very low	128 Å²	128	133.2 Å²	133.2	78%	0.776	76%	0.759	S	S	*	*			trans	-145.1	105.9	153.8	-175.5	0	0	0	0	109.5
441	N	25.3	Very low	28.5	Very low	166 Å²	166	130.1 Å²	130.1	89%	0.888	74%	0.743	S	S	*	*			trans	177	67.8	154.7	-96.1	-17.9	0	0	0	112.8
442	S	24.2	Very low	28.8	Very low	123 Å²	123	126.9 Å²	126.9	86%	0.86	73%	0.73	S	S	*	*	S	Bend	trans	-163.2	49.1	171.6	63.4	0	0	0	0	113.7
443	A	26.2	Very low	29.2	Very low	102 Å²	102	124.7 Å²	124.7	84%	0.843	72%	0.716	S	S	*	*	S	Bend	trans	-163	24.9	179.1	0	0	0	0	0	115.4
444	K	26.5	Very low	29.5	Very low	188 Å²	188	125.8 Å²	125.8	82%	0.817	71%	0.71	S	S	*	*			trans	-130.1	148.9	-179.7	-71.7	-173	174.7	-177.1	0	111.1
445	N	27.4	Very low	30	Very low	139 Å²	139	121 Å²	121	74%	0.743	68%	0.679	S	S	*	*	S	Bend	trans	87.3	38.5	173.6	-49.4	-2.8	0	0	0	118.3
446	D	27.7	Very low	31	Very low	131 Å²	131	122.9 Å²	122.9	70%	0.701	67%	0.67	S	S	*	*	S	Bend	trans	-136.1	-29.4	162.4	-91.1	-50.7	0	0	0	114.9
447	Y	27.3	Very low	31.7	Very low	216 Å²	216	121 Å²	121	85%	0.847	65%	0.648	S	S	*	*	H	α-helix	trans	-75.6	-28.6	-174.1	-103.7	-92.9	0	0	0	115.5	N449 S451	Y447-N449 PolarHBondContact O-N 2.91Å; Y447-S451 PolarHBondContact O-OG 3.28Å
448	D	32.4	Very low	32.4	Very low	123 Å²	123	114.2 Å²	114.2	66%	0.658	61%	0.613	S	S	*	*	H	α-helix	trans	-73.5	-24.9	-175.8	-69.1	-42.2	0	0	0	113.7	S451	D448-S451 PolarHBondContact O-OG 3.37Å
449	N	31	Very low	33.5	Very low	112 Å²	112	110.7 Å²	110.7	60%	0.599	59%	0.586	S	S	*	*	H	α-helix	trans	-73.9	-49.1	-178.4	-72.6	-25.6	0	0	0	111.2	Y447 S451 S452 E453	Y447-N449 PolarHBondContact O-N 2.91Å; N449-S451 PolarHBondContact O-N 3.32Å; N449-S452 PolarHBondContact O-N 3.41Å; N449-S452 PolarHBondContact O-OG 3Å; N449-E453 PolarHBondContact O-N 3.27Å
450	N	32.2	Very low	34.9	Very low	113 Å²	113	105.5 Å²	105.5	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-65.3	-37.9	-175.4	-75.4	-22	0	0	0	113.2	E453 I454	N450-E453 PolarHBondContact O-N 3.07Å; N450-I454 WeakPolarHBondContact O-CB 3.36Å; N450-I454 VanDerWaalsContact O-CG1 3.28Å; N450-I454 WeakPolarHBondContact O-CG1 3.42Å; N450-I454 PolarHBondContact O-N 2.99Å
451	S	30.1	Very low	35.9	Very low	59 Å²	59	101 Å²	101	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-40.2	176.2	55.8	0	0	0	0	111.8	Y447 D448 N449 Y455	Y447-S451 PolarHBondContact O-OG 3.28Å; D448-S451 PolarHBondContact O-OG 3.37Å; N449-S451 PolarHBondContact O-N 3.32Å; S451-Y455 WeakPolarHBondContact O-CB 3.39Å; S451-Y455 PolarHBondContact O-N 3.35Å; S451-Y455 VanDerWaalsContact O-N 3.07Å
452	S	37.9	Very low	36.8	Very low	64 Å²	64	93.2 Å²	93.2	45%	0.448	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-37.6	176.8	79.8	0	0	0	0	112.9	N449 Y456	N449-S452 PolarHBondContact O-N 3.41Å; N449-S452 PolarHBondContact O-OG 3Å; S452-Y456 WeakPolarHBondContact O-CB 3.24Å; S452-Y456 PolarHBondContact O-N 3.41Å
453	E	41.7	Very low	38.1	Very low	86 Å²	86	88.2 Å²	88.2	40%	0.402	45%	0.453	S	S	.	.	H	α-helix	trans	-74.1	-42.3	179.5	-177.7	57.9	-154	0	0	111.7	N449 N450 Y455 Y456 Q457	N449-E453 PolarHBondContact O-N 3.27Å; N450-E453 PolarHBondContact O-N 3.07Å; E453-Y455 PolarHBondContact O-N 3.05Å; E453-Y456 PolarHBondContact O-N 2.98Å; E453-Y456 VanDerWaalsContact O-N 3.15Å; E453-Q457 WeakPolarHBondContact O-CG 3.37Å; E453-Q457 PolarHBondContact O-N 3.14Å; E453-Q457 WeakPolarHBondContact OE1-CG 3.15Å; E453-Q457 PolarHBondContact OE1-NE2 3.06Å
454	I	37	Very low	39.2	Very low	98 Å²	98	85.9 Å²	85.9	50%	0.503	43%	0.426	S	S	.	.	H	α-helix	trans	-60.2	-47.2	173.7	-69	166.1	0	0	0	110.2	N450 Y456 Q457 S458	N450-I454 WeakPolarHBondContact O-CB 3.36Å; N450-I454 VanDerWaalsContact O-CG1 3.28Å; N450-I454 WeakPolarHBondContact O-CG1 3.42Å; N450-I454 PolarHBondContact O-N 2.99Å; I454-Y456 VanDerWaalsContact C-N 3.31Å; I454-Y456 PolarHBondContact O-N 3.37Å; I454-Q457 PolarHBondContact O-N 2.92Å; I454-S458 WeakPolarHBondContact O-CB 3.39Å; I454-S458 PolarHBondContact O-N 3.34Å; I454-S458 PolarHBondContact O-OG 2.98Å
455	Y	39.8	Very low	40.2	Very low	24 Å²	24	77.4 Å²	77.4	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-59.3	-41.4	174.1	170.6	-98.4	0	0	0	112.1	S451 E453 H459 K510 H517 P526	S451-Y455 WeakPolarHBondContact O-CB 3.39Å; S451-Y455 PolarHBondContact O-N 3.35Å; S451-Y455 VanDerWaalsContact O-N 3.07Å; E453-Y455 PolarHBondContact O-N 3.05Å; Y455-H459 HydrophobicContact CE1-CB 4.49Å; Y455-H459 HydrophobicContact CE2-CB 4.44Å; Y455-H459 AromaticContact CZ-CD2 3.92Å; Y455-H459 WeakPolarHBondContact O-CB 3.39Å; Y455-H459 PolarHBondContact O-N 3.22Å; Y455-K510 VanDerWaalsContact CE1-NZ 3.32Å; Y455-K510 VanDerWaalsContact CZ-NZ 3.32Å; Y455-K510 PolarHBondContact OH-NZ 3.42Å; Y455-K510 VanDerWaalsContact OH-NZ 3.14Å; Y455-H517 AromaticContact CD1-CE1 3.74Å; Y455-H517 AromaticContact CD2-CE1 3.19Å; Y455-H517 WeakPolarHBondContact CD2-CE1 3.48Å; Y455-H517 AromaticContact CD2-ND1 3.29Å; Y455-H517 VanDerWaalsContact CD2-ND1 3.29Å; Y455-H517 WeakPolarHBondContact CD2-ND1 3.04Å; Y455-H517 AromaticContact CE1-CE1 3.81Å; Y455-H517 AromaticContact CE2-CE1 3.23Å; Y455-H517 WeakPolarHBondContact CE2-CE1 3.3Å; Y455-H517 AromaticContact CE2-ND1 3.76Å; Y455-H517 AromaticContact CG-CE1 3.43Å; Y455-H517 VanDerWaalsContact CG-CE1 3.43Å; Y455-H517 AromaticContact CG-ND1 3.6Å; Y455-H517 AromaticContact CZ-CE1 3.54Å; Y455-P526 HydrophobicContact CE2-CB 3.98Å; Y455-P526 HydrophobicContact CE2-CG 4.14Å
456	Y	48.7	Very low	41.1	Very low	145 Å²	145	71.9 Å²	71.9	57%	0.569	36%	0.358	S	S	*	.	H	α-helix	trans	-63.6	-44.5	178	-176.4	-111.1	0	0	0	111.9	S452 E453 I454 K460	S452-Y456 WeakPolarHBondContact O-CB 3.24Å; S452-Y456 PolarHBondContact O-N 3.41Å; E453-Y456 PolarHBondContact O-N 2.98Å; E453-Y456 VanDerWaalsContact O-N 3.15Å; I454-Y456 VanDerWaalsContact C-N 3.31Å; I454-Y456 PolarHBondContact O-N 3.37Å; Y456-K460 WeakPolarHBondContact O-CB 3.46Å; Y456-K460 PolarHBondContact O-N 2.88Å
457	Q	46.1	Very low	42.2	Very low	84 Å²	84	72.6 Å²	72.6	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-46.5	177.1	-69.9	178	15.3	0	0	112.1	A331 E453 I454 K460 L461	A331-Q457 HydrophobicContact CB-CB 4.4Å; E453-Q457 WeakPolarHBondContact O-CG 3.37Å; E453-Q457 PolarHBondContact O-N 3.14Å; E453-Q457 WeakPolarHBondContact OE1-CG 3.15Å; E453-Q457 PolarHBondContact OE1-NE2 3.06Å; I454-Q457 PolarHBondContact O-N 2.92Å; Q457-K460 PolarHBondContact O-N 3.46Å; Q457-L461 WeakPolarHBondContact O-CB 3.32Å; Q457-L461 PolarHBondContact O-N 2.9Å
458	S	40.6	Very low	42.8	Very low	14 Å²	14	63.1 Å²	63.1	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-41.5	177.9	-75.1	0	0	0	0	112.6	I454 A462 E534	I454-S458 WeakPolarHBondContact O-CB 3.39Å; I454-S458 PolarHBondContact O-N 3.34Å; I454-S458 PolarHBondContact O-OG 2.98Å; S458-A462 WeakPolarHBondContact O-CB 3.38Å; S458-A462 PolarHBondContact O-N 2.95Å; S458-E534 PolarHBondContact OG-OE1 3Å
459	H	50.3	Low	43.1	Very low	43 Å²	43	58.7 Å²	58.7	20%	0.199	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-40.5	172.7	-177.2	-58.1	0	0	0	111.2	Y455 S463 L507	Y455-H459 HydrophobicContact CE1-CB 4.49Å; Y455-H459 HydrophobicContact CE2-CB 4.44Å; Y455-H459 AromaticContact CZ-CD2 3.92Å; Y455-H459 WeakPolarHBondContact O-CB 3.39Å; Y455-H459 PolarHBondContact O-N 3.22Å; H459-S463 WeakPolarHBondContact O-CB 3.22Å; H459-S463 PolarHBondContact O-N 3.27Å; H459-L507 HydrophobicContact CB-CD1 4.36Å
460	K	53.6	Low	43.2	Very low	57 Å²	57	56.2 Å²	56.2	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-52.6	175.2	176.5	-175.4	173.1	-176	0	110.3	D332 Y456 Q457 A462 S463 D464	D332-K460 IonicContact OD1-NZ 3.91Å; D332-K460 PolarHBondContact OD1-NZ 2.99Å; Y456-K460 WeakPolarHBondContact O-CB 3.46Å; Y456-K460 PolarHBondContact O-N 2.88Å; Q457-K460 PolarHBondContact O-N 3.46Å; K460-A462 PolarHBondContact O-N 3.49Å; K460-S463 CarbonylContact O-C 3.5Å; K460-S463 WeakPolarHBondContact O-CA 3.46Å; K460-S463 WeakPolarHBondContact O-CB 3.27Å; K460-S463 PolarHBondContact O-N 3.3Å; K460-D464 WeakPolarHBondContact CE-OD2 3.45Å; K460-D464 VanDerWaalsContact CG-OD2 3.29Å; K460-D464 WeakPolarHBondContact CG-OD2 2.98Å; K460-D464 WeakPolarHBondContact O-CB 3.45Å; K460-D464 PolarHBondContact O-N 2.98Å
461	L	47.7	Very low	43.5	Very low	34 Å²	34	59 Å²	59	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-45.9	-179.6	178	55.1	0	0	0	111.9	Q457 S463 D464 I465 E534	Q457-L461 WeakPolarHBondContact O-CB 3.32Å; Q457-L461 PolarHBondContact O-N 2.9Å; L461-S463 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 2.75Å; L461-D464 PolarHBondContact O-N 3.28Å; L461-I465 HydrophobicContact CD1-CD1 3.83Å; L461-I465 HydrophobicContact CD1-CG1 4.07Å; L461-I465 HydrophobicContact CG-CD1 3.91Å; L461-I465 WeakPolarHBondContact O-CB 3.35Å; L461-I465 WeakPolarHBondContact O-CD1 3.22Å; L461-I465 WeakPolarHBondContact O-CG1 3.26Å; L461-I465 PolarHBondContact O-N 2.84Å; L461-E534 HydrophobicContact CD2-CG 3.68Å
462	A	45.2	Very low	43.9	Very low	2 Å²	2	58 Å²	58	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-37.7	174	0	0	0	0	0	112.5	S458 K460 W466 F502 L507 T530 L533	S458-A462 WeakPolarHBondContact O-CB 3.38Å; S458-A462 PolarHBondContact O-N 2.95Å; K460-A462 PolarHBondContact O-N 3.49Å; A462-W466 WeakPolarHBondContact O-CB 3.43Å; A462-W466 PolarHBondContact O-N 2.93Å; A462-F502 HydrophobicContact CB-CE1 4.25Å; A462-F502 HydrophobicContact CB-CZ 4.08Å; A462-L507 HydrophobicContact CB-CD1 4.05Å; A462-T530 HydrophobicContact CB-CG2 4.37Å; A462-L533 HydrophobicContact CB-CD1 4.02Å
463	S	50.8	Low	43.5	Very low	19 Å²	19	61.8 Å²	61.8	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-72.5	-33.8	176.4	-170.3	0	0	0	0	113.4	H459 K460 L461 W466 F467	H459-S463 WeakPolarHBondContact O-CB 3.22Å; H459-S463 PolarHBondContact O-N 3.27Å; K460-S463 CarbonylContact O-C 3.5Å; K460-S463 WeakPolarHBondContact O-CA 3.46Å; K460-S463 WeakPolarHBondContact O-CB 3.27Å; K460-S463 PolarHBondContact O-N 3.3Å; L461-S463 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 2.75Å; S463-W466 PolarHBondContact O-N 3.49Å; S463-F467 WeakPolarHBondContact O-CB 3.48Å; S463-F467 WeakPolarHBondContact O-CD2 3.46Å; S463-F467 WeakPolarHBondContact O-CG 3.38Å; S463-F467 PolarHBondContact O-N 3.47Å; S463-F467 WeakPolarHBondContact OG-CD2 3.23Å; S463-F467 WeakPolarHBondContact OG-CE2 3.37Å
464	D	49.7	Very low	43.3	Very low	53 Å²	53	62.4 Å²	62.4	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-79.3	-40.9	-179	-74.2	-16.2	0	0	0	110.4	K460 L461 W466 F467 A468	K460-D464 WeakPolarHBondContact CE-OD2 3.45Å; K460-D464 VanDerWaalsContact CG-OD2 3.29Å; K460-D464 WeakPolarHBondContact CG-OD2 2.98Å; K460-D464 WeakPolarHBondContact O-CB 3.45Å; K460-D464 PolarHBondContact O-N 2.98Å; L461-D464 PolarHBondContact O-N 3.28Å; D464-W466 VanDerWaalsContact C-N 3.26Å; D464-W466 PolarHBondContact O-N 3.2Å; D464-F467 PolarHBondContact O-N 3.3Å; D464-A468 WeakPolarHBondContact O-CB 3.22Å; D464-A468 PolarHBondContact O-N 3.39Å
465	I	46.2	Very low	43.1	Very low	9 Å²	9	62.7 Å²	62.7	5%	0.046	31%	0.306	C	S	.	.	H	α-helix	trans	-53.2	-48.5	164.8	-68.4	160.9	0	0	0	109.5	L461 A468 L469 V537	L461-I465 HydrophobicContact CD1-CD1 3.83Å; L461-I465 HydrophobicContact CD1-CG1 4.07Å; L461-I465 HydrophobicContact CG-CD1 3.91Å; L461-I465 WeakPolarHBondContact O-CB 3.35Å; L461-I465 WeakPolarHBondContact O-CD1 3.22Å; L461-I465 WeakPolarHBondContact O-CG1 3.26Å; L461-I465 PolarHBondContact O-N 2.84Å; I465-A468 PolarHBondContact O-N 3.29Å; I465-L469 WeakPolarHBondContact O-CD2 3.48Å; I465-L469 WeakPolarHBondContact O-CG 3.25Å; I465-L469 PolarHBondContact O-N 2.69Å; I465-V537 HydrophobicContact CD1-CG2 3.84Å
466	W	48.2	Very low	42.6	Very low	24 Å²	24	65.2 Å²	65.2	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-47.5	-179	177.5	-107	0	0	0	113.6	A462 S463 D464 A468 L469 F502 D503 P504 R602	A462-W466 WeakPolarHBondContact O-CB 3.43Å; A462-W466 PolarHBondContact O-N 2.93Å; S463-W466 PolarHBondContact O-N 3.49Å; D464-W466 VanDerWaalsContact C-N 3.26Å; D464-W466 PolarHBondContact O-N 3.2Å; W466-A468 VanDerWaalsContact C-N 3.29Å; W466-A468 PolarHBondContact O-N 2.91Å; W466-L469 HydrophobicContact CE3-CD1 3.87Å; W466-L469 HydrophobicContact CZ3-CD1 4.38Å; W466-L469 WeakPolarHBondContact O-CB 3.4Å; W466-L469 WeakPolarHBondContact O-CG 3.33Å; W466-L469 PolarHBondContact O-N 3.03Å; W466-F502 HydrophobicContact CE3-CD1 4.17Å; W466-F502 WeakPolarHBondContact CH2-O 3.39Å; W466-F502 WeakPolarHBondContact CZ3-O 3.35Å; W466-D503 HydrophobicContact CH2-CB 4.04Å; W466-D503 HydrophobicContact CZ2-CB 4.2Å; W466-D503 WeakPolarHBondContact CZ2-OD2 3.27Å; W466-P504 HydrophobicContact CB-CG 3.89Å; W466-P504 VanDerWaalsContact CD1-CG 3.44Å; W466-P504 HydrophobicContact CD2-CG 4.11Å; W466-P504 VanDerWaalsContact CE2-CD 3.5Å; W466-P504 HydrophobicContact CG-CG 3.56Å; W466-R602 HydrophobicContact CE3-CG 4.26Å; W466-R602 HydrophobicContact CH2-CB 3.67Å; W466-R602 HydrophobicContact CH2-CG 3.44Å; W466-R602 VanDerWaalsContact CH2-CG 3.44Å; W466-R602 HydrophobicContact CZ2-CB 4.16Å; W466-R602 HydrophobicContact CZ2-CG 3.8Å; W466-R602 HydrophobicContact CZ3-CB 4.23Å; W466-R602 HydrophobicContact CZ3-CG 3.66Å; W466-R602 PolarHBondContact O-NH2 3.21Å
467	F	49.6	Very low	41.8	Very low	146 Å²	146	67.8 Å²	67.8	64%	0.64	34%	0.343	S	S	*	.	H	α-helix	trans	-72	-22.6	179.5	-73.9	-50	0	0	0	113.1	S463 D464 L469	S463-F467 WeakPolarHBondContact O-CB 3.48Å; S463-F467 WeakPolarHBondContact O-CD2 3.46Å; S463-F467 WeakPolarHBondContact O-CG 3.38Å; S463-F467 PolarHBondContact O-N 3.47Å; S463-F467 WeakPolarHBondContact OG-CD2 3.23Å; S463-F467 WeakPolarHBondContact OG-CE2 3.37Å; D464-F467 PolarHBondContact O-N 3.3Å; F467-L469 PolarHBondContact O-N 3.12Å
468	A	40.8	Very low	40.9	Very low	17 Å²	17	68.3 Å²	68.3	14%	0.14	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.9	170.8	0	0	0	0	0	113.8	N334 H336 D464 I465 W466	N334-A468 VanDerWaalsContact OD1-CB 3.24Å; N334-A468 WeakPolarHBondContact OD1-CB 3.46Å; H336-A468 HydrophobicContact CB-CB 3.8Å; D464-A468 WeakPolarHBondContact O-CB 3.22Å; D464-A468 PolarHBondContact O-N 3.39Å; I465-A468 PolarHBondContact O-N 3.29Å; W466-A468 VanDerWaalsContact C-N 3.29Å; W466-A468 PolarHBondContact O-N 2.91Å
469	L	37.2	Very low	40.6	Very low	30 Å²	30	72.9 Å²	72.9	16%	0.157	37%	0.371	C	S	.	.	S	Bend	trans	-71.4	141.1	175	-50.5	-177.4	0	0	0	111.2	I465 W466 F467 L600 R602	I465-L469 WeakPolarHBondContact O-CD2 3.48Å; I465-L469 WeakPolarHBondContact O-CG 3.25Å; I465-L469 PolarHBondContact O-N 2.69Å; W466-L469 HydrophobicContact CE3-CD1 3.87Å; W466-L469 HydrophobicContact CZ3-CD1 4.38Å; W466-L469 WeakPolarHBondContact O-CB 3.4Å; W466-L469 WeakPolarHBondContact O-CG 3.33Å; W466-L469 PolarHBondContact O-N 3.03Å; F467-L469 PolarHBondContact O-N 3.12Å; L469-L600 HydrophobicContact CD1-CB 3.68Å; L469-L600 HydrophobicContact CD1-CD1 4.11Å; L469-L600 HydrophobicContact CD1-CG 4.43Å; L469-L600 HydrophobicContact CD2-CB 4.08Å; L469-L600 HydrophobicContact CD2-CD1 3.49Å; L469-L600 VanDerWaalsContact CD2-CD1 3.49Å; L469-L600 HydrophobicContact CD2-CG 4.43Å; L469-L600 HydrophobicContact CG-CD1 4.43Å; L469-R602 PolarHBondContact O-NH2 3.23Å
470	P	34.4	Very low	39.7	Very low	60 Å²	60	79.4 Å²	79.4	39%	0.39	39%	0.394	S	S	.	.			trans	-53.7	144.7	170.5	-26	34.5	0	0	0	112.6	S472	P470-S472 PolarHBondContact O-N 3.27Å
471	E	39	Very low	38.6	Very low	171 Å²	171	80.7 Å²	80.7	80%	0.799	42%	0.415	S	S	*	.			trans	-73.3	64.1	160.7	-75.8	-179.5	158.5	0	0	109.6	D473 R602	E471-D473 PolarHBondContact O-N 3.3Å; E471-D473 VanDerWaalsContact O-N 3.14Å; E471-R602 VanDerWaalsContact CG-NH1 3.25Å
472	S	37.3	Very low	37.6	Very low	37 Å²	37	83.1 Å²	83.1	26%	0.259	43%	0.429	S	S	.	.			trans	-76	97.2	169.9	66.2	0	0	0	0	108.9	P470 W474 R599	P470-S472 PolarHBondContact O-N 3.27Å; S472-W474 PolarHBondContact O-N 3.22Å; S472-W474 VanDerWaalsContact O-N 3.07Å; S472-R599 PolarHBondContact OG-NH2 3.48Å
473	D	29.6	Very low	37	Very low	145 Å²	145	89 Å²	89	78%	0.775	46%	0.457	S	S	*	.			trans	-56.8	105.2	-176.3	-88.2	-38.5	0	0	0	112.9	E471 L475	E471-D473 PolarHBondContact O-N 3.3Å; E471-D473 VanDerWaalsContact O-N 3.14Å; D473-L475 PolarHBondContact O-N 2.88Å
474	W	36.5	Very low	35.9	Very low	99 Å²	99	97.6 Å²	97.6	38%	0.375	49%	0.492	S	S	.	.			trans	-93.4	96.1	165	-73.5	106.1	0	0	0	110.5	S472 F719	S472-W474 PolarHBondContact O-N 3.22Å; S472-W474 VanDerWaalsContact O-N 3.07Å; W474-F719 HydrophobicContact CZ2-CZ 4.21Å
475	L	33.8	Very low	34.7	Very low	104 Å²	104	100.4 Å²	100.4	55%	0.545	51%	0.511	S	S	.	.			trans	75.4	98.4	170.5	-56.1	168.9	0	0	0	117	D473	D473-L475 PolarHBondContact O-N 2.88Å
476	P	28.4	Very low	33.7	Very low	77 Å²	77	104.5 Å²	104.5	50%	0.5	54%	0.537	S	S	.	.			trans	-56.1	138.3	156.2	-22.6	34.2	0	0	0	111.4	S478 Y479	P476-S478 PolarHBondContact O-N 3.38Å; P476-Y479 PolarHBondContact O-N 3.27Å
477	Q	32	Very low	32.6	Very low	199 Å²	199	109 Å²	109	93%	0.93	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-9.5	-173	-70.2	-179.3	-41.5	0	0	115.2	Y479	Q477-Y479 VanDerWaalsContact C-N 3.32Å; Q477-Y479 PolarHBondContact O-N 3.43Å
478	S	28.6	Very low	31.6	Very low	95 Å²	95	109.3 Å²	109.3	66%	0.664	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-19.4	175.8	47.5	0	0	0	0	114.3	P476 R480	P476-S478 PolarHBondContact O-N 3.38Å; S478-R480 PolarHBondContact O-N 3.17Å
479	Y	33.8	Very low	30.9	Very low	109 Å²	109	113.6 Å²	113.6	43%	0.427	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	11.7	-165.2	-116.5	-88.3	0	0	0	116.9	P476 Q477 A481 D482	P476-Y479 PolarHBondContact O-N 3.27Å; Q477-Y479 VanDerWaalsContact C-N 3.32Å; Q477-Y479 PolarHBondContact O-N 3.43Å; Y479-A481 PolarHBondContact O-N 3.06Å; Y479-D482 HydrophobicContact CD1-CB 4.04Å; Y479-D482 HydrophobicContact CE1-CB 3.7Å
480	R	32.3	Very low	30.7	Very low	180 Å²	180	119.4 Å²	119.4	68%	0.679	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-8.4	176.8	-99.5	-176.9	175.6	166.8	0.4	114.6	S478	S478-R480 PolarHBondContact O-N 3.17Å
481	A	28.9	Very low	30.8	Very low	84 Å²	84	119.8 Å²	119.8	69%	0.694	62%	0.624	S	S	*	*	S	Bend	trans	-93.7	-38.3	179	0	0	0	0	0	114.1	Y479	Y479-A481 PolarHBondContact O-N 3.06Å
482	D	28.3	Very low	30.7	Very low	86 Å²	86	115.1 Å²	115.1	46%	0.46	61%	0.609	S	S	.	*			trans	-100.7	23.9	-163.2	-71.9	-50.3	0	0	0	115	Y479 K484	Y479-D482 HydrophobicContact CD1-CB 4.04Å; Y479-D482 HydrophobicContact CE1-CB 3.7Å; D482-K484 PolarHBondContact O-N 3.21Å
483	M	32.3	Very low	30.9	Very low	125 Å²	125	118.3 Å²	118.3	62%	0.616	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	22.5	-178.2	-60.4	-169.4	84.9	0	0	115.1	Y712	M483-Y712 HydrophobicContact CE-CE2 4.38Å; M483-Y712 WeakPolarHBondContact CE-OH 3.37Å
484	K	26.7	Very low	31.7	Very low	200 Å²	200	118.6 Å²	118.6	87%	0.87	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-12.4	-175.7	-74.7	-172.5	176	179.3	0	116.1	D482	D482-K484 PolarHBondContact O-N 3.21Å
485	T	24.9	Very low	32.6	Very low	111 Å²	111	116.2 Å²	116.2	68%	0.681	62%	0.618	S	S	*	*	S	Bend	trans	-133.3	-7.8	-160	37.5	0	0	0	0	117.7
486	T	24.7	Very low	34.4	Very low	96 Å²	96	111.5 Å²	111.5	59%	0.589	59%	0.593	S	S	*	*			trans	-104.6	70.4	178.6	43.2	0	0	0	0	113.4	Y488	T486-Y488 PolarHBondContact O-N 3.04Å
487	C	25	Very low	37	Very low	117 Å²	117	107.9 Å²	107.9	79%	0.791	57%	0.57	S	S	*	*			trans	-68.8	114.6	162	-64.1	0	0	0	0	109.5	P489	C487-P489 VanDerWaalsContact O-CD 3.25Å; C487-P489 WeakPolarHBondContact O-CD 3.21Å
488	Y	28.5	Very low	39.8	Very low	154 Å²	154	98.4 Å²	98.4	60%	0.604	53%	0.525	S	S	*	.			trans	-64.2	114.5	166.5	-78.7	-87.6	0	0	0	109.1	T486 N490 H718	T486-Y488 PolarHBondContact O-N 3.04Å; Y488-N490 PolarHBondContact O-N 3.36Å; Y488-H718 AromaticContact CD2-NE2 3.45Å; Y488-H718 WeakPolarHBondContact CD2-NE2 3.37Å
489	P	27.3	Very low	42.7	Very low	107 Å²	107	93.9 Å²	93.9	70%	0.695	49%	0.494	S	S	*	.			trans	-82.9	112.4	-170.2	31.3	-31.7	0	0	0	111.2	C487	C487-P489 VanDerWaalsContact O-CD 3.25Å; C487-P489 WeakPolarHBondContact O-CD 3.21Å
490	N	32	Very low	45.4	Very low	151 Å²	151	88.7 Å²	88.7	81%	0.807	47%	0.473	S	S	*	.			trans	59.5	53.6	161.2	-54.6	-44.7	0	0	0	116.6	Y488 P492	Y488-N490 PolarHBondContact O-N 3.36Å; N490-P492 WeakPolarHBondContact O-CD 3.42Å
491	I	35.8	Very low	48.1	Very low	69 Å²	69	80.1 Å²	80.1	35%	0.354	44%	0.441	S	S	.	.			trans	-64.5	122.2	151.5	-58.7	178.3	0	0	0	107.1	L496	I491-L496 HydrophobicContact CB-CD2 4.37Å; I491-L496 HydrophobicContact CG2-CD2 3.74Å; I491-L496 HydrophobicContact CG2-CG 4.44Å
492	P	36.9	Very low	50.9	Low	72 Å²	72	76.5 Å²	76.5	47%	0.468	41%	0.41	S	S	.	.			trans	-62.7	141.9	176.5	-20.9	33.4	0	0	0	110.7	N490 H494 S495	N490-P492 WeakPolarHBondContact O-CD 3.42Å; P492-H494 PolarHBondContact O-N 3.03Å; P492-S495 WeakPolarHBondContact O-CB 3.44Å; P492-S495 PolarHBondContact O-N 3.26Å
493	N	42.6	Very low	53.5	Low	105 Å²	105	73 Å²	73	56%	0.561	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-53.5	-28	-179.7	-76.5	-28.9	0	0	0	113.7	S495 L496	N493-S495 VanDerWaalsContact C-N 3.27Å; N493-S495 PolarHBondContact O-N 3.44Å; N493-L496 PolarHBondContact O-N 2.86Å
494	H	47.2	Very low	55.9	Low	151 Å²	151	67.5 Å²	67.5	70%	0.699	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-70.5	-18.7	177.5	-49.9	-70.7	0	0	0	114	P492	P492-H494 PolarHBondContact O-N 3.03Å
495	S	55.2	Low	58.8	Low	48 Å²	48	61.3 Å²	61.3	34%	0.336	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-93.3	-2.7	180	-51.2	0	0	0	0	113.2	P492 N493	P492-S495 WeakPolarHBondContact O-CB 3.44Å; P492-S495 PolarHBondContact O-N 3.26Å; N493-S495 VanDerWaalsContact C-N 3.27Å; N493-S495 PolarHBondContact O-N 3.44Å
496	L	70.6	Confident	62	Low	6 Å²	6	56 Å²	56	3%	0.031	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81.7	121.2	179.5	-61.6	-179.8	0	0	0	110.5	I491 N493 R717 R720	I491-L496 HydrophobicContact CB-CD2 4.37Å; I491-L496 HydrophobicContact CG2-CD2 3.74Å; I491-L496 HydrophobicContact CG2-CG 4.44Å; N493-L496 PolarHBondContact O-N 2.86Å; L496-R717 HydrophobicContact CD1-CB 4.25Å; L496-R717 WeakPolarHBondContact CD1-O 3.31Å; L496-R717 WeakPolarHBondContact CD2-O 3.39Å; L496-R720 HydrophobicContact CB-CB 3.84Å; L496-R720 WeakPolarHBondContact O-CB 3.42Å
497	V	83.3	Confident	65.1	Low	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-87.6	162.3	179.6	-60.8	0	0	0	0	112.7	F561 R599 F719 R720	V497-F561 HydrophobicContact CB-CD1 4.37Å; V497-F561 HydrophobicContact CG1-CB 3.88Å; V497-F561 HydrophobicContact CG1-CD1 3.58Å; V497-F561 HydrophobicContact CG1-CG 4.06Å; V497-F561 HydrophobicContact CG2-CD1 3.84Å; V497-F561 HydrophobicContact CG2-CE1 4.13Å; V497-R599 HydrophobicContact CG2-CB 3.82Å; V497-F719 HydrophobicContact CG2-CD1 4.07Å; V497-F719 HydrophobicContact CG2-CE1 4.37Å; V497-R720 PolarHBondContact O-N 2.88Å
498	T	90.6	Very high	68.2	Low	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.8	165.8	-60.5	0	0	0	0	109.8	C598 R599 R720 N721 L1169	T498-C598 CarbonylContact O-C 3.57Å; T498-C598 VanDerWaalsContact O-CA 3.29Å; T498-C598 WeakPolarHBondContact O-CA 3.43Å; T498-R599 PolarHBondContact O-N 2.93Å; T498-R720 PolarHBondContact OG1-NH2 3.4Å; T498-N721 WeakPolarHBondContact CA-OD1 3.36Å; T498-N721 VanDerWaalsContact CB-OD1 3.31Å; T498-N721 WeakPolarHBondContact CB-OD1 3.46Å; T498-N721 WeakPolarHBondContact CG2-OD1 3.35Å; T498-N721 PolarHBondContact OG1-OD1 3.4Å; T498-L1169 HydrophobicContact CG2-CB 3.76Å; T498-L1169 HydrophobicContact CG2-CD1 4.21Å; T498-L1169 PolarHBondContact OG1-O 2.89Å
499	A	90.8	Very high	71.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.7	176.4	0	0	0	0	0	112.5	R599 V601 L710 F719 N721 G722 F723	A499-R599 CarbonylContact C-O 3.58Å; A499-R599 VanDerWaalsContact CA-O 3.26Å; A499-R599 WeakPolarHBondContact CA-O 3.41Å; A499-V601 HydrophobicContact CB-CG2 3.83Å; A499-L710 HydrophobicContact CB-CD1 3.62Å; A499-F719 HydrophobicContact CB-CB 4.12Å; A499-F719 HydrophobicContact CB-CD1 3.94Å; A499-F719 HydrophobicContact CB-CD2 3.56Å; A499-F719 HydrophobicContact CB-CE1 4.25Å; A499-F719 HydrophobicContact CB-CE2 3.9Å; A499-F719 HydrophobicContact CB-CG 3.6Å; A499-F719 HydrophobicContact CB-CZ 4.23Å; A499-N721 PolarHBondContact N-O 3.27Å; A499-G722 CarbonylContact O-C 3.58Å; A499-G722 WeakPolarHBondContact O-CA 3.31Å; A499-F723 PolarHBondContact O-N 2.83Å
500	V	89.4	Confident	74.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.6	173.3	172.7	0	0	0	0	109.1	L595 C598 R599 L600 V601 F723 I725	V500-L595 HydrophobicContact CG1-CD1 4.44Å; V500-C598 HydrophobicContact CB-CB 4.37Å; V500-C598 HydrophobicContact CG2-CB 3.72Å; V500-R599 PolarHBondContact N-O 3.44Å; V500-L600 HydrophobicContact CB-CD2 3.98Å; V500-L600 HydrophobicContact CG1-CD2 3.87Å; V500-L600 CarbonylContact O-C 3.59Å; V500-L600 WeakPolarHBondContact O-CA 3.36Å; V500-V601 PolarHBondContact O-N 3.18Å; V500-F723 CarbonylContact C-O 3.52Å; V500-F723 WeakPolarHBondContact CA-O 3.35Å; V500-F723 HydrophobicContact CG2-CB 4.46Å; V500-I725 HydrophobicContact CG1-CD1 3.71Å; V500-I725 HydrophobicContact CG1-CG1 4.29Å
501	A	90.1	Very high	77.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.6	-176.8	0	0	0	0	0	110.3	V601 Q706 L710 F723 A724 I725	A501-V601 HydrophobicContact CB-CB 4.47Å; A501-Q706 HydrophobicContact CB-CB 4.42Å; A501-L710 HydrophobicContact CB-CB 4.39Å; A501-L710 HydrophobicContact CB-CD2 3.94Å; A501-F723 PolarHBondContact N-O 3.44Å; A501-A724 HydrophobicContact CB-CB 4.27Å; A501-I725 PolarHBondContact O-N 3.3Å
502	F	86.4	Confident	79.6	Confident	8 Å²	8	31 Å²	31	4%	0.035	16%	0.162	C	C	.	.			trans	-158	166.4	-176	171.7	-111.6	0	0	0	109.5	A462 W466 P504 M506 L507 L529 L533 Q706 I725	A462-F502 HydrophobicContact CB-CE1 4.25Å; A462-F502 HydrophobicContact CB-CZ 4.08Å; W466-F502 HydrophobicContact CE3-CD1 4.17Å; W466-F502 WeakPolarHBondContact CH2-O 3.39Å; W466-F502 WeakPolarHBondContact CZ3-O 3.35Å; F502-P504 HydrophobicContact CE1-CB 4.02Å; F502-P504 HydrophobicContact CE1-CG 4.42Å; F502-P504 HydrophobicContact CZ-CB 4.06Å; F502-M506 HydrophobicContact CD2-CE 4.26Å; F502-L507 HydrophobicContact CZ-CD1 4.43Å; F502-L507 HydrophobicContact CZ-CG 4.5Å; F502-L529 HydrophobicContact CE2-CB 4.42Å; F502-L529 HydrophobicContact CE2-CD2 4.19Å; F502-L533 HydrophobicContact CD1-CD1 3.81Å; F502-L533 HydrophobicContact CD2-CD1 3.88Å; F502-L533 HydrophobicContact CE1-CD1 3.53Å; F502-L533 HydrophobicContact CE2-CD1 3.62Å; F502-L533 HydrophobicContact CG-CD1 3.98Å; F502-L533 HydrophobicContact CG-CD2 4.44Å; F502-L533 HydrophobicContact CZ-CD1 3.43Å; F502-L533 VanDerWaalsContact CZ-CD1 3.43Å; F502-Q706 VanDerWaalsContact O-CD 3.28Å; F502-Q706 PolarHBondContact O-NE2 3.23Å; F502-Q706 PolarHBondContact O-OE1 3.37Å; F502-I725 HydrophobicContact CD2-CG2 4.47Å
503	D	84.2	Confident	82	Confident	13 Å²	13	28 Å²	28	7%	0.07	14%	0.143	C	C	.	.			trans	-157.7	126.4	164.6	-164.8	-55.1	0	0	0	109.2	W466 E505 M506 L702	W466-D503 HydrophobicContact CH2-CB 4.04Å; W466-D503 HydrophobicContact CZ2-CB 4.2Å; W466-D503 WeakPolarHBondContact CZ2-OD2 3.27Å; D503-E505 PolarHBondContact O-N 3.43Å; D503-E505 WeakPolarHBondContact OD1-CB 3.49Å; D503-E505 PolarHBondContact OD1-N 3.06Å; D503-M506 HydrophobicContact CB-CE 4.03Å; D503-M506 VanDerWaalsContact N-CE 3.29Å; D503-M506 WeakPolarHBondContact O-CB 3.38Å; D503-M506 WeakPolarHBondContact O-CE 3.37Å; D503-M506 PolarHBondContact O-N 3.04Å; D503-M506 VanDerWaalsContact O-N 3.12Å; D503-L702 HydrophobicContact CB-CD1 4.35Å
504	P	82.4	Confident	84	Confident	8 Å²	8	28.8 Å²	28.8	5%	0.052	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-65.9	-19.5	-179.7	28.6	-36	0	0	0	113.4	W466 F502 M506 L507	W466-P504 HydrophobicContact CB-CG 3.89Å; W466-P504 VanDerWaalsContact CD1-CG 3.44Å; W466-P504 HydrophobicContact CD2-CG 4.11Å; W466-P504 VanDerWaalsContact CE2-CD 3.5Å; W466-P504 HydrophobicContact CG-CG 3.56Å; F502-P504 HydrophobicContact CE1-CB 4.02Å; F502-P504 HydrophobicContact CE1-CG 4.42Å; F502-P504 HydrophobicContact CZ-CB 4.06Å; P504-M506 PolarHBondContact O-N 3.29Å; P504-L507 HydrophobicContact CB-CD1 4.43Å; P504-L507 VanDerWaalsContact O-CB 3.25Å; P504-L507 WeakPolarHBondContact O-CB 3.42Å; P504-L507 WeakPolarHBondContact O-CG 3.3Å; P504-L507 PolarHBondContact O-N 3.04Å
505	E	86.5	Confident	85.8	Confident	70 Å²	70	25 Å²	25	33%	0.327	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-67.5	-14.1	174.1	-65.6	-172.5	155.3	0	0	113	D503 L507 E508 R698 L702	D503-E505 PolarHBondContact O-N 3.43Å; D503-E505 WeakPolarHBondContact OD1-CB 3.49Å; D503-E505 PolarHBondContact OD1-N 3.06Å; E505-L507 VanDerWaalsContact C-N 3.27Å; E505-L507 PolarHBondContact O-N 3.32Å; E505-E508 PolarHBondContact O-N 3.46Å; E505-R698 IonicContact OE1-CZ 3.94Å; E505-R698 IonicContact OE1-NE 3.49Å; E505-R698 IonicContact OE1-NH2 3.87Å; E505-R698 PolarHBondContact OE1-NH2 3.41Å; E505-R698 IonicContact OE2-CZ 3.6Å; E505-R698 IonicContact OE2-NE 2.8Å; E505-R698 PolarHBondContact OE2-NE 2.76Å; E505-R698 IonicContact OE2-NH2 3.66Å; E505-R698 PolarHBondContact OE2-NH2 2.73Å; E505-L702 HydrophobicContact CB-CD1 3.66Å
506	M	92	Very high	87	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-71.9	-18	168.9	-66.6	-176	-63.9	0	0	113.1	F502 D503 P504 E508 A699 L702 A703 I725 V726 R727	F502-M506 HydrophobicContact CD2-CE 4.26Å; D503-M506 HydrophobicContact CB-CE 4.03Å; D503-M506 VanDerWaalsContact N-CE 3.29Å; D503-M506 WeakPolarHBondContact O-CB 3.38Å; D503-M506 WeakPolarHBondContact O-CE 3.37Å; D503-M506 PolarHBondContact O-N 3.04Å; D503-M506 VanDerWaalsContact O-N 3.12Å; P504-M506 PolarHBondContact O-N 3.29Å; M506-E508 PolarHBondContact O-N 2.8Å; M506-A699 HydrophobicContact CG-CB 4.48Å; M506-L702 HydrophobicContact CG-CB 3.85Å; M506-L702 HydrophobicContact CG-CD1 4.35Å; M506-L702 HydrophobicContact SD-CB 4.19Å; M506-A703 HydrophobicContact SD-CB 4.03Å; M506-I725 WeakPolarHBondContact CE-O 3.46Å; M506-V726 HydrophobicContact CE-CB 4.28Å; M506-V726 HydrophobicContact CE-CG1 4.02Å; M506-V726 HydrophobicContact SD-CB 3.97Å; M506-V726 HydrophobicContact SD-CG1 4.02Å; M506-R727 HydrophobicContact CB-CG 4.1Å; M506-R727 PolarHBondContact O-NH1 3.46Å
507	L	89.6	Confident	87.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-70.4	-20.5	173.9	-55.6	178.5	0	0	0	112.1	H459 A462 F502 P504 E505 H509 P526 L529 T530	H459-L507 HydrophobicContact CB-CD1 4.36Å; A462-L507 HydrophobicContact CB-CD1 4.05Å; F502-L507 HydrophobicContact CZ-CD1 4.43Å; F502-L507 HydrophobicContact CZ-CG 4.5Å; P504-L507 HydrophobicContact CB-CD1 4.43Å; P504-L507 VanDerWaalsContact O-CB 3.25Å; P504-L507 WeakPolarHBondContact O-CB 3.42Å; P504-L507 WeakPolarHBondContact O-CG 3.3Å; P504-L507 PolarHBondContact O-N 3.04Å; E505-L507 VanDerWaalsContact C-N 3.27Å; E505-L507 PolarHBondContact O-N 3.32Å; L507-H509 VanDerWaalsContact C-N 3.32Å; L507-H509 PolarHBondContact O-N 3.39Å; L507-P526 HydrophobicContact CB-CB 4.15Å; L507-P526 HydrophobicContact CD2-CB 3.99Å; L507-P526 WeakPolarHBondContact O-CG 3.47Å; L507-L529 HydrophobicContact CD2-CB 4Å; L507-L529 HydrophobicContact CD2-CD2 4.4Å; L507-T530 HydrophobicContact CD1-CG2 3.91Å; L507-T530 HydrophobicContact CD2-CG2 4.01Å
508	E	90.1	Very high	87	Confident	53 Å²	53	27.3 Å²	27.3	25%	0.248	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-82.7	-7.4	-178	-68.5	-84.6	92.9	0	0	113.6	E505 M506 K510 K695	E505-E508 PolarHBondContact O-N 3.46Å; M506-E508 PolarHBondContact O-N 2.8Å; E508-K510 PolarHBondContact O-N 3.43Å; E508-K695 HydrophobicContact CB-CB 4.27Å; E508-K695 HydrophobicContact CB-CD 3.75Å; E508-K695 HydrophobicContact CB-CG 3.98Å; E508-K695 HydrophobicContact CG-CD 4.49Å; E508-K695 WeakPolarHBondContact O-CB 3.49Å; E508-K695 WeakPolarHBondContact O-CG 3.47Å; E508-K695 WeakPolarHBondContact OE2-CE 3.41Å; E508-K695 IonicContact OE2-NZ 3.92Å; E508-K695 PolarHBondContact OE2-NZ 3.02Å
509	H	92.7	Very high	86.5	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.164	C	C	.	.			trans	-71.5	91.6	165.8	168.3	57	0	0	0	109.4	L507 E524 V690 T696 A699 R727 Y743	L507-H509 VanDerWaalsContact C-N 3.32Å; L507-H509 PolarHBondContact O-N 3.39Å; H509-E524 IonicContact CD2-OE2 3.22Å; H509-E524 PolarHBondContact CD2-OE2 3.35Å; H509-E524 IonicContact NE2-OE2 3.73Å; H509-V690 PolarHBondContact CE1-O 3.47Å; H509-T696 PolarHBondContact CE1-OG1 3.17Å; H509-T696 PolarHBondContact ND1-OG1 3.07Å; H509-A699 HydrophobicContact CB-CB 3.56Å; H509-R727 PolarHBondContact CD2-NH2 3.07Å; H509-R727 PolarHBondContact O-NH1 3.28Å; H509-R727 PolarHBondContact O-NH2 2.9Å; H509-Y743 AromaticContact CE1-CE2 3.98Å
510	K	90.9	Very high	86	Confident	44 Å²	44	34.5 Å²	34.5	19%	0.191	20%	0.197	C	C	.	.			trans	-146.2	155	176.5	64.4	-175.7	-178.6	-177.9	0	111.6	Y455 E508 A516 H517 P526 N692	Y455-K510 VanDerWaalsContact CE1-NZ 3.32Å; Y455-K510 VanDerWaalsContact CZ-NZ 3.32Å; Y455-K510 PolarHBondContact OH-NZ 3.42Å; Y455-K510 VanDerWaalsContact OH-NZ 3.14Å; E508-K510 PolarHBondContact O-N 3.43Å; K510-A516 HydrophobicContact CB-CB 4.32Å; K510-A516 HydrophobicContact CD-CB 4.47Å; K510-A516 HydrophobicContact CG-CB 4.45Å; K510-H517 PolarHBondContact NZ-CE1 3.47Å; K510-H517 PolarHBondContact NZ-NE2 3Å; K510-P526 HydrophobicContact CB-CG 4.38Å; K510-N692 WeakPolarHBondContact O-CB 3.33Å; K510-N692 PolarHBondContact O-ND2 2.96Å
511	C	91.5	Very high	85.7	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.047	21%	0.214	C	C	.	.			trans	-54.6	155.8	177.7	-166.5	0	0	0	0	111.7	C513 A516 H522 C680 V690	C511-C513 VanDerWaalsContact C-N 3.32Å; C511-A516 HydrophobicContact CB-CB 4.04Å; C511-A516 WeakPolarHBondContact O-CB 3.32Å; C511-H522 WeakPolarHBondContact CB-NE2 3.31Å; C511-H522 PolarHBondContact SG-NE2 2.89Å; C511-C680 VanDerWaalsContact SG-SG 3.66Å; C511-V690 HydrophobicContact CB-CB 4.35Å; C511-V690 HydrophobicContact CB-CG1 4.25Å
512	L	88.2	Confident	85.7	Confident	62 Å²	62	38.9 Å²	38.9	33%	0.325	22%	0.219	S	C	.	.	S	Bend	trans	-88.1	2.2	175.5	-63	-176.6	0	0	0	113.5	N692 P693	L512-N692 WeakPolarHBondContact CD2-ND2 3.28Å; L512-P693 HydrophobicContact CD1-CG 4.36Å
513	C	88.8	Confident	85.9	Confident	10 Å²	10	39.4 Å²	39.4	7%	0.068	22%	0.224	C	C	.	.	S	Bend	trans	-73.4	163.1	174.2	69.8	0	0	0	0	111.7	C511 N515 A516 H522 C680	C511-C513 VanDerWaalsContact C-N 3.32Å; C513-N515 VanDerWaalsContact C-N 3.27Å; C513-N515 PolarHBondContact O-N 3.12Å; C513-N515 VanDerWaalsContact SG-C 3.59Å; C513-A516 WeakPolarHBondContact O-CB 3.34Å; C513-A516 PolarHBondContact SG-N 3.01Å; C513-A516 VanDerWaalsContact SG-N 3.4Å; C513-H522 PolarHBondContact SG-NE2 2.9Å; C513-C680 HydrophobicContact CB-CB 3.98Å; C513-C680 WeakPolarHBondContact CB-O 3.43Å
514	P	83.5	Confident	86.4	Confident	121 Å²	121	39.2 Å²	39.2	79%	0.786	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.3	172.4	-21.4	33.6	0	0	0	112.2	A516	P514-A516 PolarHBondContact O-N 2.9Å; P514-A516 VanDerWaalsContact O-N 3.12Å
515	N	84	Confident	86.8	Confident	72 Å²	72	38.9 Å²	38.9	39%	0.385	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	27.8	-174.1	-55.7	32.8	0	0	0	112.9	C513 H517 D518 I521	C513-N515 VanDerWaalsContact C-N 3.27Å; C513-N515 PolarHBondContact O-N 3.12Å; C513-N515 VanDerWaalsContact SG-C 3.59Å; N515-H517 PolarHBondContact O-N 3.21Å; N515-D518 HydrophobicContact CB-CB 4.08Å; N515-D518 WeakPolarHBondContact O-CB 3.28Å; N515-D518 PolarHBondContact O-N 3.42Å; N515-I521 HydrophobicContact CB-CD1 3.86Å; N515-I521 VanDerWaalsContact ND2-CD1 3.3Å; N515-I521 WeakPolarHBondContact ND2-CD1 3.21Å
516	A	81.4	Confident	86.9	Confident	6 Å²	6	35.6 Å²	35.6	5%	0.05	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-1.9	-175.8	0	0	0	0	0	115	K510 C511 C513 P514	K510-A516 HydrophobicContact CB-CB 4.32Å; K510-A516 HydrophobicContact CD-CB 4.47Å; K510-A516 HydrophobicContact CG-CB 4.45Å; C511-A516 HydrophobicContact CB-CB 4.04Å; C511-A516 WeakPolarHBondContact O-CB 3.32Å; C513-A516 WeakPolarHBondContact O-CB 3.34Å; C513-A516 PolarHBondContact SG-N 3.01Å; C513-A516 VanDerWaalsContact SG-N 3.4Å; P514-A516 PolarHBondContact O-N 2.9Å; P514-A516 VanDerWaalsContact O-N 3.12Å
517	H	74.5	Confident	86.7	Confident	41 Å²	41	37.3 Å²	37.3	19%	0.19	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-6.4	176.9	-64.6	-69.3	0	0	0	113	Y455 K510 N515 S519 D527	Y455-H517 AromaticContact CD1-CE1 3.74Å; Y455-H517 AromaticContact CD2-CE1 3.19Å; Y455-H517 WeakPolarHBondContact CD2-CE1 3.48Å; Y455-H517 AromaticContact CD2-ND1 3.29Å; Y455-H517 VanDerWaalsContact CD2-ND1 3.29Å; Y455-H517 WeakPolarHBondContact CD2-ND1 3.04Å; Y455-H517 AromaticContact CE1-CE1 3.81Å; Y455-H517 AromaticContact CE2-CE1 3.23Å; Y455-H517 WeakPolarHBondContact CE2-CE1 3.3Å; Y455-H517 AromaticContact CE2-ND1 3.76Å; Y455-H517 AromaticContact CG-CE1 3.43Å; Y455-H517 VanDerWaalsContact CG-CE1 3.43Å; Y455-H517 AromaticContact CG-ND1 3.6Å; Y455-H517 AromaticContact CZ-CE1 3.54Å; K510-H517 PolarHBondContact NZ-CE1 3.47Å; K510-H517 PolarHBondContact NZ-NE2 3Å; N515-H517 PolarHBondContact O-N 3.21Å; H517-S519 PolarHBondContact O-N 3.14Å; H517-D527 IonicContact ND1-OD1 3.94Å
518	D	78.7	Confident	86.9	Confident	56 Å²	56	37.3 Å²	37.3	30%	0.299	21%	0.214	S	C	.	.			trans	-81.1	103.5	178.9	-175.4	-15.8	0	0	0	109.5	N515 S520 I521 H522	N515-D518 HydrophobicContact CB-CB 4.08Å; N515-D518 WeakPolarHBondContact O-CB 3.28Å; N515-D518 PolarHBondContact O-N 3.42Å; D518-S520 PolarHBondContact O-N 2.84Å; D518-S520 VanDerWaalsContact O-N 3.14Å; D518-S520 VanDerWaalsContact OD1-CB 3.3Å; D518-S520 WeakPolarHBondContact OD1-CB 3.31Å; D518-S520 PolarHBondContact OD1-N 3.46Å; D518-S520 PolarHBondContact OD1-OG 3.34Å; D518-S520 PolarHBondContact OD2-OG 3Å; D518-I521 HydrophobicContact CB-CB 4.31Å; D518-I521 HydrophobicContact CB-CD1 4.27Å; D518-I521 HydrophobicContact CB-CG1 4.38Å; D518-I521 PolarHBondContact O-N 2.93Å; D518-I521 VanDerWaalsContact OD2-CD1 3.3Å; D518-I521 WeakPolarHBondContact OD2-CD1 3.17Å; D518-H522 PolarHBondContact O-N 3.22Å
519	S	80.9	Confident	86.9	Confident	53 Å²	53	34.8 Å²	34.8	37%	0.371	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.7	179.6	58.2	0	0	0	0	114.1	H517 P523	H517-S519 PolarHBondContact O-N 3.14Å; S519-P523 WeakPolarHBondContact O-CA 3.23Å
520	S	80.5	Confident	86.4	Confident	99 Å²	99	34.9 Å²	34.9	69%	0.692	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-18.6	171	77.8	0	0	0	0	113.4	D518	D518-S520 PolarHBondContact O-N 2.84Å; D518-S520 VanDerWaalsContact O-N 3.14Å; D518-S520 VanDerWaalsContact OD1-CB 3.3Å; D518-S520 WeakPolarHBondContact OD1-CB 3.31Å; D518-S520 PolarHBondContact OD1-N 3.46Å; D518-S520 PolarHBondContact OD1-OG 3.34Å; D518-S520 PolarHBondContact OD2-OG 3Å
521	I	83.5	Confident	86.1	Confident	70 Å²	70	34.4 Å²	34.4	36%	0.359	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-36.3	178.3	-62.2	175.8	0	0	0	111	N515 D518 C680	N515-I521 HydrophobicContact CB-CD1 3.86Å; N515-I521 VanDerWaalsContact ND2-CD1 3.3Å; N515-I521 WeakPolarHBondContact ND2-CD1 3.21Å; D518-I521 HydrophobicContact CB-CB 4.31Å; D518-I521 HydrophobicContact CB-CD1 4.27Å; D518-I521 HydrophobicContact CB-CG1 4.38Å; D518-I521 PolarHBondContact O-N 2.93Å; D518-I521 VanDerWaalsContact OD2-CD1 3.3Å; D518-I521 WeakPolarHBondContact OD2-CD1 3.17Å; I521-C680 HydrophobicContact CG2-CB 4.21Å
522	H	89.3	Confident	85.9	Confident	21 Å²	21	34 Å²	34	10%	0.097	20%	0.203	C	C	.	.			trans	-130.4	83.5	177.5	-70.1	-52.6	0	0	0	110.1	C511 C513 D518 E524 C525 C680	C511-H522 WeakPolarHBondContact CB-NE2 3.31Å; C511-H522 PolarHBondContact SG-NE2 2.89Å; C513-H522 PolarHBondContact SG-NE2 2.9Å; D518-H522 PolarHBondContact O-N 3.22Å; H522-E524 VanDerWaalsContact C-N 3.29Å; H522-E524 PolarHBondContact O-N 2.65Å; H522-C525 WeakPolarHBondContact O-CB 3.38Å; H522-C525 PolarHBondContact O-N 3.32Å; H522-C680 VanDerWaalsContact CE1-SG 3.52Å; H522-C680 PolarHBondContact NE2-SG 3.41Å
523	P	91.4	Very high	85.5	Confident	20 Å²	20	31.3 Å²	31.3	13%	0.13	19%	0.188	C	C	.	.	S	Bend	trans	-57.1	-37.6	-177.1	-27.2	36.1	0	0	0	113.7	S519 C525 F741 L1120 Y1153	S519-P523 WeakPolarHBondContact O-CA 3.23Å; P523-C525 PolarHBondContact O-N 2.79Å; P523-F741 HydrophobicContact CB-CZ 4.49Å; P523-L1120 HydrophobicContact CB-CD1 4.12Å; P523-L1120 HydrophobicContact CG-CD1 4.05Å; P523-Y1153 HydrophobicContact CB-CD1 3.63Å; P523-Y1153 HydrophobicContact CB-CE1 4.4Å; P523-Y1153 HydrophobicContact CB-CG 3.71Å; P523-Y1153 WeakPolarHBondContact O-CD1 3.27Å
524	E	93.8	Very high	84.8	Confident	9 Å²	9	32.6 Å²	32.6	4%	0.042	19%	0.193	C	C	.	.	S	Bend	trans	-78.8	68.9	172.4	-149.6	-56.2	97.3	0	0	110.7	H509 H522 R528 R727 P729 F741	H509-E524 IonicContact CD2-OE2 3.22Å; H509-E524 PolarHBondContact CD2-OE2 3.35Å; H509-E524 IonicContact NE2-OE2 3.73Å; H522-E524 VanDerWaalsContact C-N 3.29Å; H522-E524 PolarHBondContact O-N 2.65Å; E524-R528 WeakPolarHBondContact OE1-CD 3.12Å; E524-R528 IonicContact OE1-CZ 3.26Å; E524-R528 IonicContact OE1-NE 2.82Å; E524-R528 IonicContact OE1-NH1 2.67Å; E524-R528 PolarHBondContact OE1-NH1 2.76Å; E524-R727 VanDerWaalsContact CD-NE 3.28Å; E524-R727 PolarHBondContact O-NH2 2.87Å; E524-R727 IonicContact OE1-CZ 3.67Å; E524-R727 IonicContact OE1-NE 2.61Å; E524-R727 PolarHBondContact OE1-NE 2.67Å; E524-R727 IonicContact OE1-NH2 2.68Å; E524-R727 IonicContact OE2-CZ 2.66Å; E524-R727 IonicContact OE2-NE 3.3Å; E524-R727 PolarHBondContact OE2-NE 3.28Å; E524-R727 IonicContact OE2-NH2 3.2Å; E524-R727 PolarHBondContact OE2-NH2 3.29Å; E524-P729 HydrophobicContact CG-CG 4.31Å; E524-F741 HydrophobicContact CB-CB 4.03Å; E524-F741 HydrophobicContact CB-CD1 3.78Å; E524-F741 HydrophobicContact CB-CD2 4.33Å; E524-F741 HydrophobicContact CB-CE1 4.32Å; E524-F741 HydrophobicContact CB-CG 3.78Å; E524-F741 HydrophobicContact CG-CB 3.92Å; E524-F741 HydrophobicContact CG-CG 4.15Å
525	C	90.4	Very high	84.7	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.171	C	C	.	.			trans	-100.4	158.1	-179.1	62	0	0	0	0	113.3	H522 P523 D527 R528	H522-C525 WeakPolarHBondContact O-CB 3.38Å; H522-C525 PolarHBondContact O-N 3.32Å; P523-C525 PolarHBondContact O-N 2.79Å; C525-D527 PolarHBondContact O-N 3.46Å; C525-D527 VanDerWaalsContact O-N 3.15Å; C525-R528 WeakPolarHBondContact O-CD 3.25Å; C525-R528 VanDerWaalsContact O-CG 3.26Å; C525-R528 WeakPolarHBondContact O-CG 3.35Å; C525-R528 PolarHBondContact O-N 2.85Å
526	P	89.2	Confident	84.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.8	177	-25.7	35.7	0	0	0	114.1	Y455 L507 K510 R528 L529 T530	Y455-P526 HydrophobicContact CE2-CB 3.98Å; Y455-P526 HydrophobicContact CE2-CG 4.14Å; L507-P526 HydrophobicContact CB-CB 4.15Å; L507-P526 HydrophobicContact CD2-CB 3.99Å; L507-P526 WeakPolarHBondContact O-CG 3.47Å; K510-P526 HydrophobicContact CB-CG 4.38Å; P526-R528 PolarHBondContact O-N 3.4Å; P526-R528 VanDerWaalsContact O-N 3.09Å; P526-L529 PolarHBondContact O-N 3.16Å; P526-T530 PolarHBondContact O-N 3.45Å
527	D	87.9	Confident	83.8	Confident	37 Å²	37	28.6 Å²	28.6	20%	0.198	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-22.3	-173.2	-59.7	30.5	0	0	0	113.4	H517 C525 L529 T530 S531 P1155	H517-D527 IonicContact ND1-OD1 3.94Å; C525-D527 PolarHBondContact O-N 3.46Å; C525-D527 VanDerWaalsContact O-N 3.15Å; D527-L529 VanDerWaalsContact C-N 3.26Å; D527-L529 PolarHBondContact O-N 3.4Å; D527-T530 WeakPolarHBondContact CA-OG1 3.08Å; D527-T530 PolarHBondContact O-OG1 3.04Å; D527-S531 VanDerWaalsContact O-CB 3.23Å; D527-S531 WeakPolarHBondContact O-CB 3.33Å; D527-S531 PolarHBondContact O-N 3.36Å; D527-S531 PolarHBondContact O-OG 3.39Å; D527-P1155 HydrophobicContact CB-CG 4.46Å
528	R	93.2	Very high	83.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-40.6	171.3	-61	169.8	70.7	-132.1	-4.5	111.9	E524 C525 P526 E1150 G1151 G1152	E524-R528 WeakPolarHBondContact OE1-CD 3.12Å; E524-R528 IonicContact OE1-CZ 3.26Å; E524-R528 IonicContact OE1-NE 2.82Å; E524-R528 IonicContact OE1-NH1 2.67Å; E524-R528 PolarHBondContact OE1-NH1 2.76Å; C525-R528 WeakPolarHBondContact O-CD 3.25Å; C525-R528 VanDerWaalsContact O-CG 3.26Å; C525-R528 WeakPolarHBondContact O-CG 3.35Å; C525-R528 PolarHBondContact O-N 2.85Å; P526-R528 PolarHBondContact O-N 3.4Å; P526-R528 VanDerWaalsContact O-N 3.09Å; R528-E1150 PolarHBondContact NH1-O 2.79Å; R528-E1150 PolarHBondContact NH2-O 3.17Å; R528-G1151 VanDerWaalsContact NH2-C 3.26Å; R528-G1151 PolarHBondContact NH2-O 2.71Å; R528-G1152 VanDerWaalsContact CZ-O 3.25Å; R528-G1152 PolarHBondContact NE-O 2.74Å; R528-G1152 PolarHBondContact NH2-O 3.37Å
529	L	90.7	Very high	83.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-88.3	-38.4	-174.3	-81.1	57.5	0	0	0	111.5	F502 L507 P526 D527 A532 L533 I725 R727 L1149	F502-L529 HydrophobicContact CE2-CB 4.42Å; F502-L529 HydrophobicContact CE2-CD2 4.19Å; L507-L529 HydrophobicContact CD2-CB 4Å; L507-L529 HydrophobicContact CD2-CD2 4.4Å; P526-L529 PolarHBondContact O-N 3.16Å; D527-L529 VanDerWaalsContact C-N 3.26Å; D527-L529 PolarHBondContact O-N 3.4Å; L529-A532 PolarHBondContact O-N 2.85Å; L529-L533 WeakPolarHBondContact O-CG 3.02Å; L529-L533 PolarHBondContact O-N 3.14Å; L529-I725 HydrophobicContact CB-CG2 4.17Å; L529-I725 HydrophobicContact CD2-CG2 4.42Å; L529-I725 HydrophobicContact CG-CG2 3.74Å; L529-R727 HydrophobicContact CD1-CB 4.19Å; L529-R727 HydrophobicContact CD1-CG 4.14Å; L529-R727 HydrophobicContact CD2-CB 4.2Å; L529-R727 HydrophobicContact CD2-CG 3.59Å; L529-L1149 HydrophobicContact CD1-CD2 3.68Å; L529-L1149 HydrophobicContact CG-CD2 4.38Å
530	T	82.3	Confident	83	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-43.3	177.8	58.8	0	0	0	0	111.1	A462 L507 P526 D527 A532 L533 E534	A462-T530 HydrophobicContact CB-CG2 4.37Å; L507-T530 HydrophobicContact CD1-CG2 3.91Å; L507-T530 HydrophobicContact CD2-CG2 4.01Å; P526-T530 PolarHBondContact O-N 3.45Å; D527-T530 WeakPolarHBondContact CA-OG1 3.08Å; D527-T530 PolarHBondContact O-OG1 3.04Å; T530-A532 VanDerWaalsContact C-N 3.26Å; T530-A532 PolarHBondContact O-N 3Å; T530-L533 PolarHBondContact O-N 3.46Å; T530-E534 WeakPolarHBondContact O-CB 3.33Å; T530-E534 WeakPolarHBondContact O-CG 3.41Å; T530-E534 PolarHBondContact O-N 3.41Å
531	S	84.1	Confident	82.9	Confident	34 Å²	34	26 Å²	26	24%	0.238	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-40.5	175.1	-59.1	0	0	0	0	112.1	D527 R535 P1155 A1159	D527-S531 VanDerWaalsContact O-CB 3.23Å; D527-S531 WeakPolarHBondContact O-CB 3.33Å; D527-S531 PolarHBondContact O-N 3.36Å; D527-S531 PolarHBondContact O-OG 3.39Å; S531-R535 WeakPolarHBondContact O-CB 3.29Å; S531-R535 PolarHBondContact O-N 3.37Å; S531-R535 VanDerWaalsContact O-N 3.08Å; S531-P1155 WeakPolarHBondContact CB-O 3.21Å; S531-P1155 WeakPolarHBondContact OG-CB 3.39Å; S531-A1159 WeakPolarHBondContact O-CB 3.45Å
532	A	87.4	Confident	82.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-47	177.3	0	0	0	0	0	112.3	L529 T530 R535 L536 I1162	L529-A532 PolarHBondContact O-N 2.85Å; T530-A532 VanDerWaalsContact C-N 3.26Å; T530-A532 PolarHBondContact O-N 3Å; A532-R535 PolarHBondContact O-N 3.37Å; A532-L536 WeakPolarHBondContact O-CG 3.5Å; A532-L536 PolarHBondContact O-N 2.75Å; A532-I1162 HydrophobicContact CB-CB 4.35Å; A532-I1162 HydrophobicContact CB-CD1 3.63Å; A532-I1162 HydrophobicContact CB-CG2 4.29Å
533	L	81.2	Confident	82.5	Confident	5 Å²	5	24.2 Å²	24.2	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-44.9	177.1	-70.2	171.5	0	0	0	112.1	A462 F502 L529 T530 R535 L536 V537 I725	A462-L533 HydrophobicContact CB-CD1 4.02Å; F502-L533 HydrophobicContact CD1-CD1 3.81Å; F502-L533 HydrophobicContact CD2-CD1 3.88Å; F502-L533 HydrophobicContact CE1-CD1 3.53Å; F502-L533 HydrophobicContact CE2-CD1 3.62Å; F502-L533 HydrophobicContact CG-CD1 3.98Å; F502-L533 HydrophobicContact CG-CD2 4.44Å; F502-L533 HydrophobicContact CZ-CD1 3.43Å; F502-L533 VanDerWaalsContact CZ-CD1 3.43Å; L529-L533 WeakPolarHBondContact O-CG 3.02Å; L529-L533 PolarHBondContact O-N 3.14Å; T530-L533 PolarHBondContact O-N 3.46Å; L533-R535 PolarHBondContact O-N 2.97Å; L533-L536 PolarHBondContact O-N 2.8Å; L533-V537 WeakPolarHBondContact O-CG2 3.46Å; L533-V537 PolarHBondContact O-N 2.64Å; L533-I725 HydrophobicContact CD2-CD1 3.97Å
534	E	74.1	Confident	82	Confident	37 Å²	37	23.2 Å²	23.2	17%	0.173	12%	0.116	C	C	.	.	H	α-helix	trans	-57.1	-39.2	174.7	-79.1	-169.7	-134.7	0	0	111.8	S458 L461 T530 R538	S458-E534 PolarHBondContact OG-OE1 3Å; L461-E534 HydrophobicContact CD2-CG 3.68Å; T530-E534 WeakPolarHBondContact O-CB 3.33Å; T530-E534 WeakPolarHBondContact O-CG 3.41Å; T530-E534 PolarHBondContact O-N 3.41Å; E534-R538 WeakPolarHBondContact O-CB 3.38Å; E534-R538 WeakPolarHBondContact O-CG 3.44Å; E534-R538 PolarHBondContact O-N 2.98Å; E534-R538 VanDerWaalsContact O-N 3.16Å; E534-R538 IonicContact OE2-CZ 2.68Å; E534-R538 IonicContact OE2-NH1 3.08Å; E534-R538 PolarHBondContact OE2-NH1 3.32Å; E534-R538 IonicContact OE2-NH2 3.66Å; E534-R538 PolarHBondContact OE2-NH2 3.34Å
535	R	80.4	Confident	81.1	Confident	84 Å²	84	27.3 Å²	27.3	32%	0.317	14%	0.143	S	C	.	.	H	α-helix	trans	-72.2	-39.5	178	-164.3	69	75.3	79.9	23.7	112.9	S531 A532 L533 V537 R538 T539 A1159 D1160 T1163	S531-R535 WeakPolarHBondContact O-CB 3.29Å; S531-R535 PolarHBondContact O-N 3.37Å; S531-R535 VanDerWaalsContact O-N 3.08Å; A532-R535 PolarHBondContact O-N 3.37Å; L533-R535 PolarHBondContact O-N 2.97Å; R535-V537 VanDerWaalsContact C-N 3.29Å; R535-V537 PolarHBondContact O-N 2.93Å; R535-R538 PolarHBondContact O-N 3.26Å; R535-T539 WeakPolarHBondContact CD-OG1 3.44Å; R535-T539 WeakPolarHBondContact CG-OG1 3.16Å; R535-T539 VanDerWaalsContact O-CB 3.25Å; R535-T539 WeakPolarHBondContact O-CB 3.38Å; R535-T539 PolarHBondContact O-N 3.22Å; R535-T539 PolarHBondContact O-OG1 2.82Å; R535-A1159 HydrophobicContact CB-CB 4.05Å; R535-D1160 IonicContact CZ-OD1 3.61Å; R535-D1160 IonicContact NH1-OD1 3.76Å; R535-D1160 PolarHBondContact NH1-OD1 3.04Å; R535-D1160 IonicContact NH2-OD1 3.22Å; R535-D1160 PolarHBondContact NH2-OD1 3.36Å; R535-T1163 HydrophobicContact CG-CG2 4.12Å; R535-T1163 WeakPolarHBondContact CG-OG1 3.4Å
536	L	78.9	Confident	80.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-29.1	176.1	-69.8	174.7	0	0	0	113.2	A532 L533 L594 L595 I725 I1162 V1166	A532-L536 WeakPolarHBondContact O-CG 3.5Å; A532-L536 PolarHBondContact O-N 2.75Å; L533-L536 PolarHBondContact O-N 2.8Å; L536-L594 HydrophobicContact CD2-CB 4.28Å; L536-L594 HydrophobicContact CD2-CD1 4.17Å; L536-L595 HydrophobicContact CB-CB 4.36Å; L536-L595 HydrophobicContact CB-CD1 4.31Å; L536-L595 HydrophobicContact CD1-CD1 4.41Å; L536-L595 PolarHBondContact O-N 2.93Å; L536-I725 HydrophobicContact CD1-CD1 3.69Å; L536-I1162 HydrophobicContact CD1-CG2 4.1Å; L536-V1166 HydrophobicContact CD1-CG2 4.36Å; L536-V1166 HydrophobicContact CD2-CB 3.77Å; L536-V1166 HydrophobicContact CD2-CG1 3.85Å; L536-V1166 HydrophobicContact CD2-CG2 4.03Å
537	V	67.8	Low	79.8	Confident	31 Å²	31	29.6 Å²	29.6	19%	0.188	15%	0.154	C	C	.	.	H	α-helix	trans	-78.6	-28.3	173.8	173.2	0	0	0	0	112.7	Y335 I465 L533 R535 P593 L595	Y335-V537 HydrophobicContact CD2-CG1 4.03Å; Y335-V537 HydrophobicContact CE2-CG1 4.37Å; I465-V537 HydrophobicContact CD1-CG2 3.84Å; L533-V537 WeakPolarHBondContact O-CG2 3.46Å; L533-V537 PolarHBondContact O-N 2.64Å; R535-V537 VanDerWaalsContact C-N 3.29Å; R535-V537 PolarHBondContact O-N 2.93Å; V537-P593 WeakPolarHBondContact O-CB 3.18Å; V537-L595 HydrophobicContact CG2-CD2 3.54Å
538	R	68.4	Low	78.8	Confident	121 Å²	121	31.2 Å²	31.2	46%	0.457	17%	0.168	S	C	.	.	H	α-helix	trans	-97.2	-20.3	-177.6	-69.1	178	-178.7	132.2	3.6	115	E534 R535	E534-R538 WeakPolarHBondContact O-CB 3.38Å; E534-R538 WeakPolarHBondContact O-CG 3.44Å; E534-R538 PolarHBondContact O-N 2.98Å; E534-R538 VanDerWaalsContact O-N 3.16Å; E534-R538 IonicContact OE2-CZ 2.68Å; E534-R538 IonicContact OE2-NH1 3.08Å; E534-R538 PolarHBondContact OE2-NH1 3.32Å; E534-R538 IonicContact OE2-NH2 3.66Å; E534-R538 PolarHBondContact OE2-NH2 3.34Å; R535-R538 PolarHBondContact O-N 3.26Å
539	T	74.6	Confident	77.3	Confident	18 Å²	18	35.4 Å²	35.4	11%	0.11	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-95.4	125.3	-173.3	-50.8	0	0	0	0	111.5	R535 P593 L594 Y1042 T1163	R535-T539 WeakPolarHBondContact CD-OG1 3.44Å; R535-T539 WeakPolarHBondContact CG-OG1 3.16Å; R535-T539 VanDerWaalsContact O-CB 3.25Å; R535-T539 WeakPolarHBondContact O-CB 3.38Å; R535-T539 PolarHBondContact O-N 3.22Å; R535-T539 PolarHBondContact O-OG1 2.82Å; T539-P593 CarbonylContact O-C 3.45Å; T539-P593 VanDerWaalsContact O-CA 3.27Å; T539-P593 WeakPolarHBondContact O-CA 3.42Å; T539-L594 HydrophobicContact CG2-CD1 4.1Å; T539-L594 WeakPolarHBondContact O-CG 3.47Å; T539-L594 PolarHBondContact O-N 3.24Å; T539-Y1042 HydrophobicContact CG2-CE1 4.12Å; T539-T1163 HydrophobicContact CG2-CG2 3.73Å
540	P	74.3	Confident	75.8	Confident	51 Å²	51	37.9 Å²	37.9	33%	0.331	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-72.4	160.2	176.1	30.6	-35.3	0	0	0	112.9	C542 T590 L592	P540-C542 PolarHBondContact O-N 3.18Å; P540-C542 PolarHBondContact O-SG 3.19Å; P540-T590 WeakPolarHBondContact CB-O 3.44Å; P540-L592 WeakPolarHBondContact CA-O 3.42Å
541	L	79.2	Confident	74.6	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69.4	116.1	174	177.9	57.8	0	0	0	111.3	I543 L555 I589 L592 L594 F597 N1167 L1170	L541-I543 HydrophobicContact CG-CG1 4.18Å; L541-L555 HydrophobicContact CD2-CD1 3.59Å; L541-L555 HydrophobicContact CD2-CD2 3.83Å; L541-L555 HydrophobicContact CD2-CG 4.25Å; L541-I589 HydrophobicContact CD2-CG2 4.4Å; L541-L592 PolarHBondContact N-O 3.43Å; L541-L594 HydrophobicContact CB-CD2 4.12Å; L541-L594 HydrophobicContact CD1-CD2 3.67Å; L541-F597 HydrophobicContact CB-CD2 4.09Å; L541-F597 HydrophobicContact CB-CE2 3.65Å; L541-F597 HydrophobicContact CB-CZ 4.3Å; L541-F597 HydrophobicContact CD2-CD1 4.26Å; L541-F597 HydrophobicContact CD2-CD2 3.91Å; L541-F597 HydrophobicContact CD2-CE1 4.18Å; L541-F597 HydrophobicContact CD2-CE2 3.81Å; L541-F597 HydrophobicContact CD2-CG 4.13Å; L541-F597 HydrophobicContact CD2-CZ 3.95Å; L541-F597 HydrophobicContact CG-CE2 4.4Å; L541-N1167 VanDerWaalsContact CD1-OD1 3.3Å; L541-N1167 WeakPolarHBondContact CD1-OD1 3.47Å; L541-L1170 HydrophobicContact CD1-CB 4.1Å; L541-L1170 HydrophobicContact CD1-CD1 4.06Å
542	C	82.4	Confident	73.4	Confident	20 Å²	20	38.9 Å²	38.9	14%	0.135	21%	0.214	C	C	.	.			trans	-104.4	111.8	-179.1	-60.3	0	0	0	0	110.5	P540 Y1042 N1167 Y1205	P540-C542 PolarHBondContact O-N 3.18Å; P540-C542 PolarHBondContact O-SG 3.19Å; C542-Y1042 HydrophobicContact CB-CE2 3.79Å; C542-N1167 PolarHBondContact N-ND2 3Å; C542-N1167 PolarHBondContact O-ND2 2.96Å; C542-N1167 PolarHBondContact O-OD1 3.41Å; C542-Y1205 PolarHBondContact O-OH 3.03Å
543	I	80.6	Confident	72.1	Confident	33 Å²	33	44.4 Å²	44.4	17%	0.169	24%	0.244	C	C	.	.			trans	-98	133.3	-173.6	-53.1	172	0	0	0	110.1	L541 M547 A551 L555 I589 L1171	L541-I543 HydrophobicContact CG-CG1 4.18Å; I543-M547 HydrophobicContact CG2-CB 4.03Å; I543-A551 HydrophobicContact CD1-CB 3.56Å; I543-L555 HydrophobicContact CD1-CD1 3.4Å; I543-L555 VanDerWaalsContact CD1-CD1 3.4Å; I543-L555 HydrophobicContact CG1-CD1 4.2Å; I543-I589 HydrophobicContact CD1-CG2 4.23Å; I543-L1171 HydrophobicContact CG2-CD2 4.17Å
544	P	81.2	Confident	71.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.			trans	-60.1	140.5	174.4	-23.8	32.9	0	0	0	112.6	H546 M547 S548 L1171 Y1205	P544-H546 VanDerWaalsContact C-N 3.26Å; P544-H546 WeakPolarHBondContact CB-CE1 3.16Å; P544-H546 PolarHBondContact O-N 3.19Å; P544-H546 VanDerWaalsContact O-N 3.17Å; P544-M547 HydrophobicContact CB-CB 4.28Å; P544-M547 HydrophobicContact CB-CG 4.22Å; P544-M547 HydrophobicContact CB-SD 4.3Å; P544-M547 HydrophobicContact CG-CG 4.38Å; P544-M547 HydrophobicContact CG-SD 3.82Å; P544-M547 CarbonylContact O-C 3.51Å; P544-M547 WeakPolarHBondContact O-CA 3.49Å; P544-M547 WeakPolarHBondContact O-CB 3.36Å; P544-M547 PolarHBondContact O-N 2.9Å; P544-S548 PolarHBondContact O-N 3.12Å; P544-L1171 HydrophobicContact CG-CD1 3.8Å; P544-Y1205 HydrophobicContact CB-CD1 4.16Å; P544-Y1205 HydrophobicContact CB-CD2 3.96Å; P544-Y1205 HydrophobicContact CB-CE1 4.4Å; P544-Y1205 HydrophobicContact CB-CE2 4.22Å; P544-Y1205 HydrophobicContact CB-CG 3.91Å; P544-Y1205 HydrophobicContact CG-CD1 3.73Å; P544-Y1205 HydrophobicContact CG-CD2 4.39Å; P544-Y1205 HydrophobicContact CG-CE1 3.81Å; P544-Y1205 HydrophobicContact CG-CE2 4.47Å; P544-Y1205 HydrophobicContact CG-CG 4.01Å
545	P	75.6	Confident	71.3	Confident	94 Å²	94	45.1 Å²	45.1	61%	0.61	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-57.3	-34.6	-176.9	-28.3	35.9	0	0	0	114.5	M547 S548	P545-M547 PolarHBondContact O-N 3.15Å; P545-S548 WeakPolarHBondContact O-CB 3.49Å; P545-S548 PolarHBondContact O-N 2.61Å; P545-S548 PolarHBondContact O-OG 2.87Å
546	H	75.9	Confident	70.7	Confident	37 Å²	37	42 Å²	42	17%	0.171	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-77.4	-6	175.6	63	-75.2	0	0	0	114	P544 M1201 N1202 Y1307	P544-H546 VanDerWaalsContact C-N 3.26Å; P544-H546 WeakPolarHBondContact CB-CE1 3.16Å; P544-H546 PolarHBondContact O-N 3.19Å; P544-H546 VanDerWaalsContact O-N 3.17Å; H546-M1201 HydrophobicContact CB-CE 4.17Å; H546-M1201 PolarHBondContact CE1-O 3.49Å; H546-M1201 VanDerWaalsContact CE1-O 3.3Å; H546-N1202 PolarHBondContact CE1-OD1 3.4Å; H546-N1202 PolarHBondContact NE2-OD1 3.08Å; H546-Y1307 PolarHBondContact O-OH 3.23Å
547	M	76.2	Confident	70.3	Confident	13 Å²	13	46.1 Å²	46.1	6%	0.064	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104.7	1.9	171	-66.6	-177.9	172	0	0	113	I543 P544 P545 S549 Y550 L1171 P1172 N1202	I543-M547 HydrophobicContact CG2-CB 4.03Å; P544-M547 HydrophobicContact CB-CB 4.28Å; P544-M547 HydrophobicContact CB-CG 4.22Å; P544-M547 HydrophobicContact CB-SD 4.3Å; P544-M547 HydrophobicContact CG-CG 4.38Å; P544-M547 HydrophobicContact CG-SD 3.82Å; P544-M547 CarbonylContact O-C 3.51Å; P544-M547 WeakPolarHBondContact O-CA 3.49Å; P544-M547 WeakPolarHBondContact O-CB 3.36Å; P544-M547 PolarHBondContact O-N 2.9Å; P545-M547 PolarHBondContact O-N 3.15Å; M547-S549 PolarHBondContact O-N 3.09Å; M547-S549 VanDerWaalsContact O-N 3.12Å; M547-Y550 VanDerWaalsContact O-CB 3.27Å; M547-Y550 WeakPolarHBondContact O-CB 3.46Å; M547-Y550 PolarHBondContact O-N 2.82Å; M547-L1171 HydrophobicContact SD-CB 4.3Å; M547-L1171 HydrophobicContact SD-CD1 4.14Å; M547-L1171 HydrophobicContact SD-CD2 4.32Å; M547-L1171 HydrophobicContact SD-CG 4.49Å; M547-P1172 HydrophobicContact SD-CG 4.11Å; M547-N1202 WeakPolarHBondContact CE-OD1 3.19Å
548	S	66.6	Low	70.3	Confident	70 Å²	70	45.2 Å²	45.2	49%	0.49	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-54.3	-31.8	179.9	53	0	0	0	0	114	P544 P545 Y550 A551	P544-S548 PolarHBondContact O-N 3.12Å; P545-S548 WeakPolarHBondContact O-CB 3.49Å; P545-S548 PolarHBondContact O-N 2.61Å; P545-S548 PolarHBondContact O-OG 2.87Å; S548-Y550 PolarHBondContact O-N 2.81Å; S548-A551 WeakPolarHBondContact O-CB 3.34Å; S548-A551 PolarHBondContact O-N 3.4Å
549	S	61.8	Low	70.3	Confident	89 Å²	89	39.6 Å²	39.6	62%	0.622	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-64	-16.6	174.7	56.7	0	0	0	0	114.7	M547 Y1307	M547-S549 PolarHBondContact O-N 3.09Å; M547-S549 VanDerWaalsContact O-N 3.12Å; S549-Y1307 PolarHBondContact OG-OH 3.4Å
550	Y	59.1	Low	69.8	Low	52 Å²	52	39.5 Å²	39.5	20%	0.204	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-86	-19.1	173	-175.4	-95.6	0	0	0	113	M547 S548 S552 N554 L555 P1172	M547-Y550 VanDerWaalsContact O-CB 3.27Å; M547-Y550 WeakPolarHBondContact O-CB 3.46Å; M547-Y550 PolarHBondContact O-N 2.82Å; S548-Y550 PolarHBondContact O-N 2.81Å; Y550-S552 PolarHBondContact O-N 3.27Å; Y550-N554 HydrophobicContact CD1-CB 4.27Å; Y550-N554 HydrophobicContact CD2-CB 4.46Å; Y550-N554 WeakPolarHBondContact CD2-ND2 3.2Å; Y550-N554 HydrophobicContact CE1-CB 3.71Å; Y550-N554 HydrophobicContact CE2-CB 3.91Å; Y550-N554 WeakPolarHBondContact CE2-ND2 3.46Å; Y550-L555 HydrophobicContact CE1-CD2 4.44Å; Y550-L555 HydrophobicContact CE1-CG 4.43Å; Y550-P1172 HydrophobicContact CD1-CB 4.47Å; Y550-P1172 HydrophobicContact CD1-CG 3.97Å; Y550-P1172 HydrophobicContact CD2-CB 3.85Å; Y550-P1172 HydrophobicContact CD2-CG 3.86Å; Y550-P1172 HydrophobicContact CE1-CB 4.27Å; Y550-P1172 HydrophobicContact CE1-CG 4.19Å; Y550-P1172 HydrophobicContact CE2-CB 3.62Å; Y550-P1172 HydrophobicContact CE2-CG 4.09Å; Y550-P1172 HydrophobicContact CG-CB 4.27Å; Y550-P1172 HydrophobicContact CG-CG 3.79Å
551	A	57.4	Low	69.4	Low	10 Å²	10	39.4 Å²	39.4	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-43	-152.1	0	0	0	0	0	115.3	I543 S548 L555 I589	I543-A551 HydrophobicContact CD1-CB 3.56Å; S548-A551 WeakPolarHBondContact O-CB 3.34Å; S548-A551 PolarHBondContact O-N 3.4Å; A551-L555 WeakPolarHBondContact O-CB 3.32Å; A551-L555 WeakPolarHBondContact O-CD1 3.27Å; A551-I589 WeakPolarHBondContact O-CD1 3.41Å
552	S	57.7	Low	68.4	Low	47 Å²	47	39.8 Å²	39.8	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-70.9	-77.9	-172.2	55	0	0	0	0	112.3	Y550 N554 L555 I556	Y550-S552 PolarHBondContact O-N 3.27Å; S552-N554 PolarHBondContact O-N 3.04Å; S552-L555 PolarHBondContact O-N 3.3Å; S552-I556 WeakPolarHBondContact O-CB 3.41Å; S552-I556 VanDerWaalsContact O-CD1 3.24Å; S552-I556 WeakPolarHBondContact O-CD1 3.38Å; S552-I556 WeakPolarHBondContact O-CG1 3.45Å; S552-I556 PolarHBondContact O-N 3.02Å
553	N	61.6	Low	67.2	Low	117 Å²	117	39.9 Å²	39.9	63%	0.626	23%	0.227	S	C	*	.	H	α-helix	trans	-61	-45.1	-164	-66.1	-22	0	0	0	113.6	E557	N553-E557 WeakPolarHBondContact O-CG 3.49Å; N553-E557 PolarHBondContact O-N 3.35Å
554	N	67.3	Low	66.1	Low	53 Å²	53	38.3 Å²	38.3	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-71.7	-36.5	-173.9	-64.9	-52.1	0	0	0	112.8	Y550 S552 S558	Y550-N554 HydrophobicContact CD1-CB 4.27Å; Y550-N554 HydrophobicContact CD2-CB 4.46Å; Y550-N554 WeakPolarHBondContact CD2-ND2 3.2Å; Y550-N554 HydrophobicContact CE1-CB 3.71Å; Y550-N554 HydrophobicContact CE2-CB 3.91Å; Y550-N554 WeakPolarHBondContact CE2-ND2 3.46Å; S552-N554 PolarHBondContact O-N 3.04Å; N554-S558 WeakPolarHBondContact O-CB 3.33Å; N554-S558 PolarHBondContact O-N 2.83Å
555	L	70.2	Confident	65.2	Low	3 Å²	3	44.4 Å²	44.4	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-78.2	-30.6	178.5	-62.4	171.9	0	0	0	111.8	L541 I543 Y550 A551 S552 S558 F559 I589 F597	L541-L555 HydrophobicContact CD2-CD1 3.59Å; L541-L555 HydrophobicContact CD2-CD2 3.83Å; L541-L555 HydrophobicContact CD2-CG 4.25Å; I543-L555 HydrophobicContact CD1-CD1 3.4Å; I543-L555 VanDerWaalsContact CD1-CD1 3.4Å; I543-L555 HydrophobicContact CG1-CD1 4.2Å; Y550-L555 HydrophobicContact CE1-CD2 4.44Å; Y550-L555 HydrophobicContact CE1-CG 4.43Å; A551-L555 WeakPolarHBondContact O-CB 3.32Å; A551-L555 WeakPolarHBondContact O-CD1 3.27Å; S552-L555 PolarHBondContact O-N 3.3Å; L555-S558 PolarHBondContact O-N 3.18Å; L555-F559 WeakPolarHBondContact O-CB 3.49Å; L555-F559 PolarHBondContact O-N 2.98Å; L555-I589 HydrophobicContact CB-CD1 4.42Å; L555-I589 HydrophobicContact CB-CG2 4.24Å; L555-I589 HydrophobicContact CD1-CG2 3.93Å; L555-F597 HydrophobicContact CB-CD1 4.45Å; L555-F597 HydrophobicContact CB-CE1 4.23Å
556	I	68.5	Low	64.1	Low	18 Å²	18	43.5 Å²	43.5	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-48.9	168.3	-71.3	162.6	0	0	0	110.8	S552 F559 K560 L578 I589	S552-I556 WeakPolarHBondContact O-CB 3.41Å; S552-I556 VanDerWaalsContact O-CD1 3.24Å; S552-I556 WeakPolarHBondContact O-CD1 3.38Å; S552-I556 WeakPolarHBondContact O-CG1 3.45Å; S552-I556 PolarHBondContact O-N 3.02Å; I556-F559 PolarHBondContact O-N 3.04Å; I556-K560 HydrophobicContact CG2-CD 4.22Å; I556-K560 WeakPolarHBondContact O-CG 3.39Å; I556-K560 PolarHBondContact O-N 3.33Å; I556-L578 HydrophobicContact CB-CD1 4.46Å; I556-L578 HydrophobicContact CD1-CD1 4.25Å; I556-L578 HydrophobicContact CG1-CD1 4.14Å; I556-L578 HydrophobicContact CG2-CD1 3.49Å; I556-L578 VanDerWaalsContact CG2-CD1 3.49Å; I556-I589 HydrophobicContact CD1-CD1 4.19Å; I556-I589 HydrophobicContact CG1-CD1 3.79Å; I556-I589 HydrophobicContact CG1-CG1 4.34Å
557	E	70.7	Confident	63.3	Low	88 Å²	88	44.3 Å²	44.3	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-34.5	177.3	-64.3	-50.7	132.2	0	0	112	N553 K560 F561	N553-E557 WeakPolarHBondContact O-CG 3.49Å; N553-E557 PolarHBondContact O-N 3.35Å; E557-K560 PolarHBondContact O-N 3.28Å; E557-K560 WeakPolarHBondContact OE1-CD 3.18Å; E557-K560 WeakPolarHBondContact OE1-CE 3.3Å; E557-K560 IonicContact OE1-NZ 3.36Å; E557-K560 PolarHBondContact OE1-NZ 3.2Å; E557-K560 WeakPolarHBondContact OE2-CD 3.35Å; E557-K560 IonicContact OE2-NZ 3.4Å; E557-F561 WeakPolarHBondContact O-CB 3.48Å; E557-F561 PolarHBondContact O-N 2.99Å
558	S	67.5	Low	62.5	Low	12 Å²	12	47.7 Å²	47.7	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-41.9	172.1	-164.2	0	0	0	0	112.3	N554 L555 T562	N554-S558 WeakPolarHBondContact O-CB 3.33Å; N554-S558 PolarHBondContact O-N 2.83Å; L555-S558 PolarHBondContact O-N 3.18Å; S558-T562 WeakPolarHBondContact O-CB 3.46Å; S558-T562 PolarHBondContact O-N 3.45Å; S558-T562 PolarHBondContact O-OG1 2.96Å
559	F	67.3	Low	62.1	Low	3 Å²	3	50.6 Å²	50.6	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-45.7	174.5	173.9	-96.4	0	0	0	111.6	L339 L555 I556 F561 T562 V563 L564 F574 L592 A596 F597	L339-F559 HydrophobicContact CD2-CE2 4.35Å; L339-F559 HydrophobicContact CD2-CZ 4.48Å; L555-F559 WeakPolarHBondContact O-CB 3.49Å; L555-F559 PolarHBondContact O-N 2.98Å; I556-F559 PolarHBondContact O-N 3.04Å; F559-F561 PolarHBondContact O-N 2.92Å; F559-T562 PolarHBondContact O-N 3.35Å; F559-V563 HydrophobicContact CD2-CG2 3.86Å; F559-V563 HydrophobicContact CE2-CB 4.18Å; F559-V563 HydrophobicContact CE2-CG1 4.49Å; F559-V563 HydrophobicContact CE2-CG2 3.68Å; F559-V563 HydrophobicContact CZ-CB 4.29Å; F559-V563 HydrophobicContact CZ-CG1 4.37Å; F559-V563 HydrophobicContact CZ-CG2 4.28Å; F559-V563 PolarHBondContact O-N 3.12Å; F559-L564 HydrophobicContact CE1-CD1 4.18Å; F559-L564 HydrophobicContact CE1-CG 4.44Å; F559-F574 HydrophobicContact CD1-CD1 4.47Å; F559-F574 AromaticContact CD1-CE1 3.59Å; F559-F574 HydrophobicContact CD1-CE1 3.59Å; F559-F574 AromaticContact CD1-CZ 3.61Å; F559-F574 HydrophobicContact CD1-CZ 3.61Å; F559-F574 HydrophobicContact CE1-CD1 4.41Å; F559-F574 AromaticContact CE1-CE1 3.73Å; F559-F574 HydrophobicContact CE1-CE1 3.73Å; F559-F574 AromaticContact CE1-CE2 3.9Å; F559-F574 HydrophobicContact CE1-CE2 3.9Å; F559-F574 AromaticContact CE1-CZ 3.44Å; F559-F574 HydrophobicContact CE1-CZ 3.44Å; F559-F574 VanDerWaalsContact CE1-CZ 3.44Å; F559-L592 HydrophobicContact CD2-CD1 3.67Å; F559-L592 HydrophobicContact CE2-CD1 3.65Å; F559-L592 HydrophobicContact CE2-CD2 3.89Å; F559-L592 HydrophobicContact CE2-CG 4.42Å; F559-L592 HydrophobicContact CG-CD1 4.22Å; F559-L592 HydrophobicContact CZ-CD1 4.18Å; F559-L592 HydrophobicContact CZ-CD2 4.44Å; F559-A596 HydrophobicContact CD2-CB 4.16Å; F559-A596 WeakPolarHBondContact CD2-O 3.41Å; F559-A596 HydrophobicContact CE2-CB 4.14Å; F559-F597 HydrophobicContact CB-CD1 4.12Å; F559-F597 HydrophobicContact CB-CE1 4.2Å
560	K	65.8	Low	61.6	Low	16 Å²	16	47.3 Å²	47.3	7%	0.07	25%	0.245	C	C	.	.	I	π-helix	trans	-56.6	-48.3	174.2	-74.4	171.9	-174.6	-179.5	0	111.6	I556 E557 T562 L564 Y565 Q571 F574 S575	I556-K560 HydrophobicContact CG2-CD 4.22Å; I556-K560 WeakPolarHBondContact O-CG 3.39Å; I556-K560 PolarHBondContact O-N 3.33Å; E557-K560 PolarHBondContact O-N 3.28Å; E557-K560 WeakPolarHBondContact OE1-CD 3.18Å; E557-K560 WeakPolarHBondContact OE1-CE 3.3Å; E557-K560 IonicContact OE1-NZ 3.36Å; E557-K560 PolarHBondContact OE1-NZ 3.2Å; E557-K560 WeakPolarHBondContact OE2-CD 3.35Å; E557-K560 IonicContact OE2-NZ 3.4Å; K560-T562 VanDerWaalsContact C-N 3.32Å; K560-T562 PolarHBondContact O-N 3.07Å; K560-L564 HydrophobicContact CG-CD1 4.27Å; K560-L564 CarbonylContact O-C 3.58Å; K560-L564 VanDerWaalsContact O-CA 3.3Å; K560-L564 WeakPolarHBondContact O-CA 3.36Å; K560-L564 WeakPolarHBondContact O-CB 3.43Å; K560-L564 PolarHBondContact O-N 2.85Å; K560-Y565 PolarHBondContact O-N 2.87Å; K560-Q571 HydrophobicContact CB-CG 4.1Å; K560-Q571 HydrophobicContact CD-CG 4.44Å; K560-Q571 HydrophobicContact CG-CG 4.23Å; K560-F574 HydrophobicContact CG-CD1 3.86Å; K560-F574 HydrophobicContact CG-CE1 4.02Å; K560-S575 WeakPolarHBondContact CE-OG 3.48Å; K560-S575 PolarHBondContact NZ-OG 3.18Å
561	F	65.7	Low	61.7	Low	49 Å²	49	47.3 Å²	47.3	22%	0.215	25%	0.247	C	C	.	.	I	π-helix	trans	-70.3	-27.5	179.3	-165.1	-83.4	0	0	0	113	V497 E557 F559 Y565	V497-F561 HydrophobicContact CB-CD1 4.37Å; V497-F561 HydrophobicContact CG1-CB 3.88Å; V497-F561 HydrophobicContact CG1-CD1 3.58Å; V497-F561 HydrophobicContact CG1-CG 4.06Å; V497-F561 HydrophobicContact CG2-CD1 3.84Å; V497-F561 HydrophobicContact CG2-CE1 4.13Å; E557-F561 WeakPolarHBondContact O-CB 3.48Å; E557-F561 PolarHBondContact O-N 2.99Å; F559-F561 PolarHBondContact O-N 2.92Å; F561-Y565 AromaticContact CD2-CD2 3.74Å; F561-Y565 HydrophobicContact CD2-CD2 3.74Å; F561-Y565 HydrophobicContact CD2-CE2 4.18Å; F561-Y565 AromaticContact CE2-CD2 3.6Å; F561-Y565 HydrophobicContact CE2-CD2 3.6Å; F561-Y565 AromaticContact CE2-CE2 3.56Å; F561-Y565 HydrophobicContact CE2-CE2 3.56Å; F561-Y565 HydrophobicContact CG-CD2 4.31Å; F561-Y565 HydrophobicContact CZ-CD2 4.05Å; F561-Y565 AromaticContact CZ-CE2 3.92Å; F561-Y565 HydrophobicContact CZ-CE2 3.92Å; F561-Y565 WeakPolarHBondContact O-CB 3.16Å
562	T	58.3	Low	62.1	Low	11 Å²	11	52.2 Å²	52.2	7%	0.067	27%	0.268	C	S	.	.	I	π-helix	trans	-77.3	-52.2	177.9	-65.3	0	0	0	0	112.3	S558 F559 K560 A596 F597 C598 R599	S558-T562 WeakPolarHBondContact O-CB 3.46Å; S558-T562 PolarHBondContact O-N 3.45Å; S558-T562 PolarHBondContact O-OG1 2.96Å; F559-T562 PolarHBondContact O-N 3.35Å; K560-T562 VanDerWaalsContact C-N 3.32Å; K560-T562 PolarHBondContact O-N 3.07Å; T562-A596 WeakPolarHBondContact CG2-O 3.25Å; T562-F597 PolarHBondContact OG1-O 3.34Å; T562-C598 WeakPolarHBondContact CG2-O 3.4Å; T562-R599 PolarHBondContact O-NH1 3.13Å
563	V	57.1	Low	62	Low	23 Å²	23	52.7 Å²	52.7	14%	0.139	27%	0.267	C	S	.	.	I	π-helix	trans	-102.1	-33.7	-166.5	-176	0	0	0	0	112.6	L339 F559 M567 A596	L339-V563 HydrophobicContact CD1-CG1 4.1Å; L339-V563 HydrophobicContact CD2-CG1 4.43Å; F559-V563 HydrophobicContact CD2-CG2 3.86Å; F559-V563 HydrophobicContact CE2-CB 4.18Å; F559-V563 HydrophobicContact CE2-CG1 4.49Å; F559-V563 HydrophobicContact CE2-CG2 3.68Å; F559-V563 HydrophobicContact CZ-CB 4.29Å; F559-V563 HydrophobicContact CZ-CG1 4.37Å; F559-V563 HydrophobicContact CZ-CG2 4.28Å; F559-V563 PolarHBondContact O-N 3.12Å; V563-M567 WeakPolarHBondContact O-CE 3.42Å; V563-A596 WeakPolarHBondContact CG2-O 3.44Å
564	L	57.5	Low	62.2	Low	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-108.8	-5.7	-169.3	-48.3	179.3	0	0	0	113.8	V343 F559 K560 D566 M567 L570 Q571 F574	V343-L564 HydrophobicContact CG2-CD2 4.24Å; F559-L564 HydrophobicContact CE1-CD1 4.18Å; F559-L564 HydrophobicContact CE1-CG 4.44Å; K560-L564 HydrophobicContact CG-CD1 4.27Å; K560-L564 CarbonylContact O-C 3.58Å; K560-L564 VanDerWaalsContact O-CA 3.3Å; K560-L564 WeakPolarHBondContact O-CA 3.36Å; K560-L564 WeakPolarHBondContact O-CB 3.43Å; K560-L564 PolarHBondContact O-N 2.85Å; L564-D566 VanDerWaalsContact C-N 3.34Å; L564-D566 PolarHBondContact O-N 2.88Å; L564-M567 HydrophobicContact CD2-CE 4.27Å; L564-M567 CarbonylContact O-C 3.56Å; L564-M567 WeakPolarHBondContact O-CA 3.3Å; L564-M567 PolarHBondContact O-N 3.27Å; L564-M567 VanDerWaalsContact O-O 3.09Å; L564-L570 HydrophobicContact CD2-CD2 3.85Å; L564-L570 HydrophobicContact CD2-CG 4.12Å; L564-Q571 HydrophobicContact CB-CB 3.76Å; L564-Q571 HydrophobicContact CB-CG 4.05Å; L564-F574 HydrophobicContact CD1-CB 3.6Å; L564-F574 HydrophobicContact CD1-CD1 3.48Å; L564-F574 VanDerWaalsContact CD1-CD1 3.48Å; L564-F574 HydrophobicContact CD1-CD2 4.4Å; L564-F574 HydrophobicContact CD1-CE1 4.22Å; L564-F574 HydrophobicContact CD1-CG 3.58Å
565	Y	62.4	Low	62.2	Low	128 Å²	128	46 Å²	46	50%	0.502	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.5	-179.7	179.4	-90.5	0	0	0	113.2	K560 F561 M567	K560-Y565 PolarHBondContact O-N 2.87Å; F561-Y565 AromaticContact CD2-CD2 3.74Å; F561-Y565 HydrophobicContact CD2-CD2 3.74Å; F561-Y565 HydrophobicContact CD2-CE2 4.18Å; F561-Y565 AromaticContact CE2-CD2 3.6Å; F561-Y565 HydrophobicContact CE2-CD2 3.6Å; F561-Y565 AromaticContact CE2-CE2 3.56Å; F561-Y565 HydrophobicContact CE2-CE2 3.56Å; F561-Y565 HydrophobicContact CG-CD2 4.31Å; F561-Y565 HydrophobicContact CZ-CD2 4.05Å; F561-Y565 AromaticContact CZ-CE2 3.92Å; F561-Y565 HydrophobicContact CZ-CE2 3.92Å; F561-Y565 WeakPolarHBondContact O-CB 3.16Å; Y565-M567 PolarHBondContact O-N 2.8Å
566	D	52.6	Low	62.1	Low	75 Å²	75	50.7 Å²	50.7	40%	0.401	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5.9	176.2	-59.5	-53.7	0	0	0	112.6	L564 R599	L564-D566 VanDerWaalsContact C-N 3.34Å; L564-D566 PolarHBondContact O-N 2.88Å; D566-R599 IonicContact OD1-NH2 3.45Å; D566-R599 IonicContact OD2-CZ 2.7Å; D566-R599 VanDerWaalsContact OD2-CZ 3.26Å; D566-R599 IonicContact OD2-NH1 3.31Å; D566-R599 PolarHBondContact OD2-NH1 3.19Å; D566-R599 IonicContact OD2-NH2 3.53Å; D566-R599 PolarHBondContact OD2-NH2 3.42Å
567	M	59.1	Low	61.8	Low	53 Å²	53	50.6 Å²	50.6	26%	0.261	25%	0.254	S	S	.	.			trans	-141.7	67.4	-175.1	-63	-173.7	-75.7	0	0	111.4	L340 V563 L564 Y565 D569 L570 Q571	L340-M567 HydrophobicContact CD2-SD 4.28Å; V563-M567 WeakPolarHBondContact O-CE 3.42Å; L564-M567 HydrophobicContact CD2-CE 4.27Å; L564-M567 CarbonylContact O-C 3.56Å; L564-M567 WeakPolarHBondContact O-CA 3.3Å; L564-M567 PolarHBondContact O-N 3.27Å; L564-M567 VanDerWaalsContact O-O 3.09Å; Y565-M567 PolarHBondContact O-N 2.8Å; M567-D569 PolarHBondContact O-N 3.45Å; M567-L570 HydrophobicContact CB-CB 3.84Å; M567-L570 HydrophobicContact CB-CD2 4.3Å; M567-L570 HydrophobicContact CE-CD2 3.76Å; M567-L570 WeakPolarHBondContact O-CA 3.23Å; M567-L570 WeakPolarHBondContact O-CB 3.23Å; M567-L570 PolarHBondContact O-N 3.19Å; M567-L570 HydrophobicContact SD-CD2 3.7Å; M567-Q571 PolarHBondContact O-N 2.97Å
568	P	58.8	Low	61.5	Low	85 Å²	85	47.1 Å²	47.1	55%	0.552	24%	0.238	S	C	*	.	H	α-helix	trans	-60.4	-36	-168.7	22.8	-34.6	0	0	0	114.6	L570 Q571 H572	P568-L570 VanDerWaalsContact C-N 3.31Å; P568-L570 PolarHBondContact O-N 3.34Å; P568-Q571 WeakPolarHBondContact O-CB 3.43Å; P568-Q571 PolarHBondContact O-N 3.44Å; P568-H572 PolarHBondContact O-N 3.19Å
569	D	57.4	Low	61.5	Low	131 Å²	131	54.1 Å²	54.1	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-62.2	-41.7	174.9	-54.2	-43.2	0	0	0	110.9	M567 H572 D573	M567-D569 PolarHBondContact O-N 3.45Å; D569-H572 WeakPolarHBondContact O-CB 3.48Å; D569-H572 PolarHBondContact O-N 3.4Å; D569-D573 PolarHBondContact O-N 2.57Å
570	L	52.4	Low	61.2	Low	19 Å²	19	57.4 Å²	57.4	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-70.6	-33.8	178.5	-161	67.5	0	0	0	111.7	V343 Q347 L564 M567 P568 H572 F574	V343-L570 HydrophobicContact CB-CD1 4Å; V343-L570 HydrophobicContact CB-CD2 4.14Å; V343-L570 HydrophobicContact CB-CG 4.16Å; V343-L570 HydrophobicContact CG1-CD1 3.53Å; V343-L570 HydrophobicContact CG1-CD2 4.18Å; V343-L570 HydrophobicContact CG1-CG 3.65Å; V343-L570 HydrophobicContact CG2-CD2 4.45Å; Q347-L570 HydrophobicContact CG-CD1 4.47Å; L564-L570 HydrophobicContact CD2-CD2 3.85Å; L564-L570 HydrophobicContact CD2-CG 4.12Å; M567-L570 HydrophobicContact CB-CB 3.84Å; M567-L570 HydrophobicContact CB-CD2 4.3Å; M567-L570 HydrophobicContact CE-CD2 3.76Å; M567-L570 WeakPolarHBondContact O-CA 3.23Å; M567-L570 WeakPolarHBondContact O-CB 3.23Å; M567-L570 PolarHBondContact O-N 3.19Å; M567-L570 HydrophobicContact SD-CD2 3.7Å; P568-L570 VanDerWaalsContact C-N 3.31Å; P568-L570 PolarHBondContact O-N 3.34Å; L570-H572 VanDerWaalsContact C-N 3.33Å; L570-F574 WeakPolarHBondContact O-CB 3.31Å; L570-F574 PolarHBondContact O-N 3.47Å
571	Q	60	Low	61	Low	53 Å²	53	57.3 Å²	57.3	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-36.9	170.7	-166.2	-176.1	3.9	0	0	111.8	K560 L564 M567 P568 S575	K560-Q571 HydrophobicContact CB-CG 4.1Å; K560-Q571 HydrophobicContact CD-CG 4.44Å; K560-Q571 HydrophobicContact CG-CG 4.23Å; L564-Q571 HydrophobicContact CB-CB 3.76Å; L564-Q571 HydrophobicContact CB-CG 4.05Å; M567-Q571 PolarHBondContact O-N 2.97Å; P568-Q571 WeakPolarHBondContact O-CB 3.43Å; P568-Q571 PolarHBondContact O-N 3.44Å; Q571-S575 WeakPolarHBondContact O-CB 3.25Å; Q571-S575 PolarHBondContact O-N 3.01Å; Q571-S575 VanDerWaalsContact O-N 3.08Å; Q571-S575 PolarHBondContact O-OG 3.35Å
572	H	67	Low	60.9	Low	112 Å²	112	58.2 Å²	58.2	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-68.3	-51.7	175.7	-172.7	79.2	0	0	0	111.4	P568 D569 L570 F574 S575 Q576	P568-H572 PolarHBondContact O-N 3.19Å; D569-H572 WeakPolarHBondContact O-CB 3.48Å; D569-H572 PolarHBondContact O-N 3.4Å; L570-H572 VanDerWaalsContact C-N 3.33Å; H572-F574 PolarHBondContact O-N 2.95Å; H572-S575 WeakPolarHBondContact O-CA 3.23Å; H572-S575 WeakPolarHBondContact O-CB 3.21Å; H572-S575 PolarHBondContact O-N 2.85Å; H572-Q576 PolarHBondContact CD2-NE2 3.17Å; H572-Q576 PolarHBondContact NE2-NE2 2.59Å; H572-Q576 PolarHBondContact O-N 3.35Å
573	D	55.8	Low	60.8	Low	58 Å²	58	62.9 Å²	62.9	31%	0.31	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-44.3	178.1	-73.7	-11.2	0	0	0	112.1	Q347 D569 S575 Q576 F577	Q347-D573 HydrophobicContact CG-CB 4.09Å; Q347-D573 PolarHBondContact NE2-OD2 3.19Å; D569-D573 PolarHBondContact O-N 2.57Å; D573-S575 VanDerWaalsContact C-N 3.27Å; D573-S575 PolarHBondContact O-N 3.29Å; D573-Q576 PolarHBondContact O-N 3.43Å; D573-F577 WeakPolarHBondContact O-CB 3.43Å; D573-F577 PolarHBondContact O-N 3.4Å
574	F	64.5	Low	60.9	Low	6 Å²	6	63.6 Å²	63.6	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-34.2	174.8	-177.8	-105	0	0	0	112.2	V343 F559 K560 L564 L570 H572 F577 L578 L588	V343-F574 HydrophobicContact CG1-CB 4.3Å; V343-F574 HydrophobicContact CG1-CD2 4.32Å; F559-F574 HydrophobicContact CD1-CD1 4.47Å; F559-F574 AromaticContact CD1-CE1 3.59Å; F559-F574 HydrophobicContact CD1-CE1 3.59Å; F559-F574 AromaticContact CD1-CZ 3.61Å; F559-F574 HydrophobicContact CD1-CZ 3.61Å; F559-F574 HydrophobicContact CE1-CD1 4.41Å; F559-F574 AromaticContact CE1-CE1 3.73Å; F559-F574 HydrophobicContact CE1-CE1 3.73Å; F559-F574 AromaticContact CE1-CE2 3.9Å; F559-F574 HydrophobicContact CE1-CE2 3.9Å; F559-F574 AromaticContact CE1-CZ 3.44Å; F559-F574 HydrophobicContact CE1-CZ 3.44Å; F559-F574 VanDerWaalsContact CE1-CZ 3.44Å; K560-F574 HydrophobicContact CG-CD1 3.86Å; K560-F574 HydrophobicContact CG-CE1 4.02Å; L564-F574 HydrophobicContact CD1-CB 3.6Å; L564-F574 HydrophobicContact CD1-CD1 3.48Å; L564-F574 VanDerWaalsContact CD1-CD1 3.48Å; L564-F574 HydrophobicContact CD1-CD2 4.4Å; L564-F574 HydrophobicContact CD1-CE1 4.22Å; L564-F574 HydrophobicContact CD1-CG 3.58Å; L570-F574 WeakPolarHBondContact O-CB 3.31Å; L570-F574 PolarHBondContact O-N 3.47Å; H572-F574 PolarHBondContact O-N 2.95Å; F574-F577 PolarHBondContact O-N 3.41Å; F574-L578 HydrophobicContact CD1-CD1 4Å; F574-L578 HydrophobicContact CE1-CD1 3.39Å; F574-L578 HydrophobicContact CE1-CG 4.21Å; F574-L578 HydrophobicContact CE2-CD1 4.37Å; F574-L578 HydrophobicContact CE2-CG 4.44Å; F574-L578 HydrophobicContact CZ-CD1 3.62Å; F574-L578 HydrophobicContact CZ-CG 4.14Å; F574-L578 WeakPolarHBondContact O-CG 3.41Å; F574-L578 PolarHBondContact O-N 3.2Å; F574-L588 HydrophobicContact CE2-CD2 3.77Å; F574-L588 HydrophobicContact CZ-CD2 3.73Å
575	S	68.1	Low	61	Low	24 Å²	24	64.4 Å²	64.4	17%	0.168	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-40.3	174	-60.9	0	0	0	0	112.2	K560 Q571 H572 D573 Q579	K560-S575 WeakPolarHBondContact CE-OG 3.48Å; K560-S575 PolarHBondContact NZ-OG 3.18Å; Q571-S575 WeakPolarHBondContact O-CB 3.25Å; Q571-S575 PolarHBondContact O-N 3.01Å; Q571-S575 VanDerWaalsContact O-N 3.08Å; Q571-S575 PolarHBondContact O-OG 3.35Å; H572-S575 WeakPolarHBondContact O-CA 3.23Å; H572-S575 WeakPolarHBondContact O-CB 3.21Å; H572-S575 PolarHBondContact O-N 2.85Å; D573-S575 VanDerWaalsContact C-N 3.27Å; D573-S575 PolarHBondContact O-N 3.29Å; S575-Q579 WeakPolarHBondContact O-CB 3.23Å; S575-Q579 VanDerWaalsContact O-CG 3.23Å; S575-Q579 WeakPolarHBondContact O-CG 3.33Å; S575-Q579 PolarHBondContact O-N 3.32Å
576	Q	67.7	Low	60.8	Low	100 Å²	100	64.4 Å²	64.4	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-38.7	172.3	-66	-165.5	23.1	0	0	112.1	H572 D573 Q579 S580	H572-Q576 PolarHBondContact CD2-NE2 3.17Å; H572-Q576 PolarHBondContact NE2-NE2 2.59Å; H572-Q576 PolarHBondContact O-N 3.35Å; D573-Q576 PolarHBondContact O-N 3.43Å; Q576-Q579 PolarHBondContact O-N 3.29Å; Q576-S580 PolarHBondContact O-N 3.49Å; Q576-S580 PolarHBondContact O-OG 2.92Å
577	F	61.3	Low	61.1	Low	16 Å²	16	63 Å²	63	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-49.7	175.3	177.9	-94.8	0	0	0	111.1	C346 A349 D573 F574 Q579 S580 H581 I584	C346-F577 HydrophobicContact CB-CB 4.27Å; C346-F577 HydrophobicContact CB-CD1 4.07Å; C346-F577 HydrophobicContact CB-CD2 3.85Å; C346-F577 HydrophobicContact CB-CE1 4.43Å; C346-F577 HydrophobicContact CB-CE2 4.23Å; C346-F577 HydrophobicContact CB-CG 3.78Å; C346-F577 WeakPolarHBondContact O-CD2 3.45Å; A349-F577 HydrophobicContact CB-CE2 4.08Å; D573-F577 WeakPolarHBondContact O-CB 3.43Å; D573-F577 PolarHBondContact O-N 3.4Å; F574-F577 PolarHBondContact O-N 3.41Å; F577-Q579 VanDerWaalsContact C-N 3.33Å; F577-Q579 PolarHBondContact O-N 2.8Å; F577-S580 CarbonylContact O-C 3.55Å; F577-S580 PolarHBondContact O-N 3.04Å; F577-S580 VanDerWaalsContact O-N 3.15Å; F577-S580 PolarHBondContact O-OG 3.35Å; F577-H581 AromaticContact CD2-ND1 3.83Å; F577-H581 HydrophobicContact CE1-CB 4.26Å; F577-H581 AromaticContact CE2-ND1 3.69Å; F577-H581 HydrophobicContact CZ-CB 4.17Å; F577-H581 WeakPolarHBondContact O-CB 3.43Å; F577-H581 PolarHBondContact O-N 2.85Å; F577-H581 PolarHBondContact O-ND1 2.92Å; F577-I584 HydrophobicContact CZ-CD1 4.38Å
578	L	65.3	Low	61.1	Low	15 Å²	15	61.9 Å²	61.9	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-28.9	177.5	-69.4	-179.4	0	0	0	113.6	I556 F574 S580 H581 A582 L588	I556-L578 HydrophobicContact CB-CD1 4.46Å; I556-L578 HydrophobicContact CD1-CD1 4.25Å; I556-L578 HydrophobicContact CG1-CD1 4.14Å; I556-L578 HydrophobicContact CG2-CD1 3.49Å; I556-L578 VanDerWaalsContact CG2-CD1 3.49Å; F574-L578 HydrophobicContact CD1-CD1 4Å; F574-L578 HydrophobicContact CE1-CD1 3.39Å; F574-L578 HydrophobicContact CE1-CG 4.21Å; F574-L578 HydrophobicContact CE2-CD1 4.37Å; F574-L578 HydrophobicContact CE2-CG 4.44Å; F574-L578 HydrophobicContact CZ-CD1 3.62Å; F574-L578 HydrophobicContact CZ-CG 4.14Å; F574-L578 WeakPolarHBondContact O-CG 3.41Å; F574-L578 PolarHBondContact O-N 3.2Å; L578-S580 VanDerWaalsContact C-N 3.33Å; L578-H581 CarbonylContact O-C 3.56Å; L578-A582 WeakPolarHBondContact O-CA 3.41Å; L578-A582 PolarHBondContact O-N 3.06Å; L578-A582 VanDerWaalsContact O-N 3.1Å; L578-L588 HydrophobicContact CD2-CD2 4.28Å
579	Q	68.4	Low	61.3	Low	159 Å²	159	58.1 Å²	58.1	74%	0.743	32%	0.315	S	S	*	.	H	α-helix	trans	-68.6	-31.1	171.6	-75.8	170.4	7.7	0	0	112.8	S575 Q576 F577	S575-Q579 WeakPolarHBondContact O-CB 3.23Å; S575-Q579 VanDerWaalsContact O-CG 3.23Å; S575-Q579 WeakPolarHBondContact O-CG 3.33Å; S575-Q579 PolarHBondContact O-N 3.32Å; Q576-Q579 PolarHBondContact O-N 3.29Å; F577-Q579 VanDerWaalsContact C-N 3.33Å; F577-Q579 PolarHBondContact O-N 2.8Å
580	S	59.4	Low	61.6	Low	72 Å²	72	54.8 Å²	54.8	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-88.9	-17.3	176.2	50.9	0	0	0	0	114	Q576 F577 L578	Q576-S580 PolarHBondContact O-N 3.49Å; Q576-S580 PolarHBondContact O-OG 2.92Å; F577-S580 CarbonylContact O-C 3.55Å; F577-S580 PolarHBondContact O-N 3.04Å; F577-S580 VanDerWaalsContact O-N 3.15Å; F577-S580 PolarHBondContact O-OG 3.35Å; L578-S580 VanDerWaalsContact C-N 3.33Å
581	H	62.4	Low	62	Low	15 Å²	15	60.4 Å²	60.4	7%	0.069	33%	0.325	C	S	.	.			trans	-135.1	50.1	-175.8	-64.3	85.9	0	0	0	111.7	R281 F577 L578 D583 I584	R281-H581 PolarHBondContact NH2-CD2 3.3Å; R281-H581 PolarHBondContact NH2-NE2 2.9Å; F577-H581 AromaticContact CD2-ND1 3.83Å; F577-H581 HydrophobicContact CE1-CB 4.26Å; F577-H581 AromaticContact CE2-ND1 3.69Å; F577-H581 HydrophobicContact CZ-CB 4.17Å; F577-H581 WeakPolarHBondContact O-CB 3.43Å; F577-H581 PolarHBondContact O-N 2.85Å; F577-H581 PolarHBondContact O-ND1 2.92Å; L578-H581 CarbonylContact O-C 3.56Å; H581-D583 VanDerWaalsContact C-OD1 3.23Å; H581-D583 WeakPolarHBondContact CA-OD1 3.45Å; H581-D583 PolarHBondContact O-N 3.4Å; H581-I584 HydrophobicContact CB-CB 4.25Å; H581-I584 HydrophobicContact CB-CD1 3.95Å; H581-I584 HydrophobicContact CB-CG1 4.09Å; H581-I584 PolarHBondContact O-N 3.5Å
582	A	63.6	Low	62	Low	67 Å²	67	58.4 Å²	58.4	55%	0.554	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.9	-178.2	0	0	0	0	0	113	L578 I584 S585	L578-A582 WeakPolarHBondContact O-CA 3.41Å; L578-A582 PolarHBondContact O-N 3.06Å; L578-A582 VanDerWaalsContact O-N 3.1Å; A582-I584 VanDerWaalsContact C-N 3.32Å; A582-I584 PolarHBondContact O-N 3.03Å; A582-S585 WeakPolarHBondContact O-CB 3.37Å; A582-S585 PolarHBondContact O-N 3.16Å; A582-S585 PolarHBondContact O-OG 3.18Å
583	D	55.2	Low	62	Low	109 Å²	109	54 Å²	54	58%	0.583	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.1	172.8	62.3	-44.5	0	0	0	113.6	H581 S585	H581-D583 VanDerWaalsContact C-OD1 3.23Å; H581-D583 WeakPolarHBondContact CA-OD1 3.45Å; H581-D583 PolarHBondContact O-N 3.4Å; D583-S585 VanDerWaalsContact C-N 3.34Å
584	I	59.4	Low	63	Low	39 Å²	39	51.3 Å²	51.3	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-81.3	-18.4	177.8	-57.4	-174.6	0	0	0	111.3	F577 H581 A582 E586 A587 L588	F577-I584 HydrophobicContact CZ-CD1 4.38Å; H581-I584 HydrophobicContact CB-CB 4.25Å; H581-I584 HydrophobicContact CB-CD1 3.95Å; H581-I584 HydrophobicContact CB-CG1 4.09Å; H581-I584 PolarHBondContact O-N 3.5Å; A582-I584 VanDerWaalsContact C-N 3.32Å; A582-I584 PolarHBondContact O-N 3.03Å; I584-E586 PolarHBondContact O-N 2.92Å; I584-A587 PolarHBondContact O-N 2.96Å; I584-L588 WeakPolarHBondContact O-CB 3.35Å; I584-L588 PolarHBondContact O-N 3.22Å
585	S	59.5	Low	63.5	Low	16 Å²	16	51.1 Å²	51.1	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-43.3	-170.1	71.7	0	0	0	0	114.2	A582 D583 I589	A582-S585 WeakPolarHBondContact O-CB 3.37Å; A582-S585 PolarHBondContact O-N 3.16Å; A582-S585 PolarHBondContact O-OG 3.18Å; D583-S585 VanDerWaalsContact C-N 3.34Å; S585-I589 WeakPolarHBondContact O-CD1 3.42Å; S585-I589 VanDerWaalsContact O-CG1 3.24Å; S585-I589 WeakPolarHBondContact O-CG1 3.27Å; S585-I589 PolarHBondContact O-N 3.19Å
586	E	59.5	Low	63.4	Low	129 Å²	129	50 Å²	50	60%	0.603	27%	0.274	S	S	*	.	H	α-helix	trans	-67	-46.7	177.3	-173.1	174	-174.5	0	0	111.4	I584 L588 I589 T590	I584-E586 PolarHBondContact O-N 2.92Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 3.43Å; E586-I589 PolarHBondContact O-N 3.19Å; E586-T590 PolarHBondContact O-N 3.47Å; E586-T590 PolarHBondContact O-OG1 3.05Å
587	A	58.4	Low	63.7	Low	45 Å²	45	45.3 Å²	45.3	37%	0.372	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-40.1	178	0	0	0	0	0	112.4	I584 T590 H591	I584-A587 PolarHBondContact O-N 2.96Å; A587-T590 WeakPolarHBondContact CA-OG1 3.45Å; A587-T590 PolarHBondContact O-N 2.69Å; A587-T590 PolarHBondContact O-OG1 3.11Å; A587-H591 PolarHBondContact O-CD2 2.7Å; A587-H591 PolarHBondContact O-N 3.08Å
588	L	59.2	Low	64.6	Low	30 Å²	30	44.6 Å²	44.6	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-45.9	175.7	-179.5	64.9	0	0	0	111.4	L342 F574 L578 I584 E586 T590 H591 L592	L342-L588 HydrophobicContact CD2-CD1 4.44Å; F574-L588 HydrophobicContact CE2-CD2 3.77Å; F574-L588 HydrophobicContact CZ-CD2 3.73Å; L578-L588 HydrophobicContact CD2-CD2 4.28Å; I584-L588 WeakPolarHBondContact O-CB 3.35Å; I584-L588 PolarHBondContact O-N 3.22Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 3.43Å; L588-T590 VanDerWaalsContact C-N 3.32Å; L588-T590 PolarHBondContact O-N 3.38Å; L588-H591 PolarHBondContact O-N 2.96Å; L588-L592 HydrophobicContact CD1-CD1 4.18Å; L588-L592 HydrophobicContact CD1-CG 4.19Å; L588-L592 HydrophobicContact CG-CD1 3.92Å; L588-L592 HydrophobicContact CG-CG 4.38Å; L588-L592 WeakPolarHBondContact O-CG 3.39Å; L588-L592 PolarHBondContact O-N 2.84Å
589	I	64.1	Low	65.3	Low	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-41	178.6	-64.6	161.7	0	0	0	110.9	L541 I543 A551 L555 I556 S585 E586 H591 F597	L541-I589 HydrophobicContact CD2-CG2 4.4Å; I543-I589 HydrophobicContact CD1-CG2 4.23Å; A551-I589 WeakPolarHBondContact O-CD1 3.41Å; L555-I589 HydrophobicContact CB-CD1 4.42Å; L555-I589 HydrophobicContact CB-CG2 4.24Å; L555-I589 HydrophobicContact CD1-CG2 3.93Å; I556-I589 HydrophobicContact CD1-CD1 4.19Å; I556-I589 HydrophobicContact CG1-CD1 3.79Å; I556-I589 HydrophobicContact CG1-CG1 4.34Å; S585-I589 WeakPolarHBondContact O-CD1 3.42Å; S585-I589 VanDerWaalsContact O-CG1 3.24Å; S585-I589 WeakPolarHBondContact O-CG1 3.27Å; S585-I589 PolarHBondContact O-N 3.19Å; E586-I589 PolarHBondContact O-N 3.19Å; I589-H591 PolarHBondContact O-N 3.43Å; I589-F597 HydrophobicContact CG2-CE1 4.28Å; I589-F597 HydrophobicContact CG2-CZ 4.03Å
590	T	61.7	Low	65.4	Low	61 Å²	61	39 Å²	39	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-72.7	-9.6	179.4	53.7	0	0	0	0	115.2	P540 E586 A587 L588	P540-T590 WeakPolarHBondContact CB-O 3.44Å; E586-T590 PolarHBondContact O-N 3.47Å; E586-T590 PolarHBondContact O-OG1 3.05Å; A587-T590 WeakPolarHBondContact CA-OG1 3.45Å; A587-T590 PolarHBondContact O-N 2.69Å; A587-T590 PolarHBondContact O-OG1 3.11Å; L588-T590 VanDerWaalsContact C-N 3.32Å; L588-T590 PolarHBondContact O-N 3.38Å
591	H	61.3	Low	65.9	Low	136 Å²	136	36 Å²	36	63%	0.63	20%	0.2	S	C	*	.	H	α-helix	trans	-114.8	-12	178.9	-69.2	-47.7	0	0	0	114.1	A587 L588 I589	A587-H591 PolarHBondContact O-CD2 2.7Å; A587-H591 PolarHBondContact O-N 3.08Å; L588-H591 PolarHBondContact O-N 2.96Å; I589-H591 PolarHBondContact O-N 3.43Å
592	L	61.4	Low	66	Low	11 Å²	11	37.7 Å²	37.7	6%	0.058	21%	0.207	C	C	.	.	S	Bend	trans	-74	137.3	171.2	-77.1	167.9	0	0	0	110.7	L342 P540 L541 F559 L588 A596 F597	L342-L592 HydrophobicContact CD2-CD2 4.07Å; P540-L592 WeakPolarHBondContact CA-O 3.42Å; L541-L592 PolarHBondContact N-O 3.43Å; F559-L592 HydrophobicContact CD2-CD1 3.67Å; F559-L592 HydrophobicContact CE2-CD1 3.65Å; F559-L592 HydrophobicContact CE2-CD2 3.89Å; F559-L592 HydrophobicContact CE2-CG 4.42Å; F559-L592 HydrophobicContact CG-CD1 4.22Å; F559-L592 HydrophobicContact CZ-CD1 4.18Å; F559-L592 HydrophobicContact CZ-CD2 4.44Å; L588-L592 HydrophobicContact CD1-CD1 4.18Å; L588-L592 HydrophobicContact CD1-CG 4.19Å; L588-L592 HydrophobicContact CG-CD1 3.92Å; L588-L592 HydrophobicContact CG-CG 4.38Å; L588-L592 WeakPolarHBondContact O-CG 3.39Å; L588-L592 PolarHBondContact O-N 2.84Å; L592-A596 HydrophobicContact CB-CB 4.27Å; L592-A596 HydrophobicContact CD2-CB 4.27Å; L592-F597 HydrophobicContact CB-CE2 3.7Å; L592-F597 HydrophobicContact CB-CZ 3.68Å; L592-F597 HydrophobicContact CD1-CE1 4.49Å; L592-F597 HydrophobicContact CD1-CZ 4.1Å
593	P	66.7	Low	66.1	Low	21 Å²	21	35.5 Å²	35.5	14%	0.136	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-70.6	155.2	178.5	29.5	-34.1	0	0	0	111.8	Y335 V537 T539 L595 A596 F597	Y335-P593 HydrophobicContact CE2-CG 3.94Å; V537-P593 WeakPolarHBondContact O-CB 3.18Å; T539-P593 CarbonylContact O-C 3.45Å; T539-P593 VanDerWaalsContact O-CA 3.27Å; T539-P593 WeakPolarHBondContact O-CA 3.42Å; P593-L595 PolarHBondContact O-N 2.91Å; P593-L595 VanDerWaalsContact O-N 3.12Å; P593-A596 HydrophobicContact CG-CB 4.28Å; P593-A596 WeakPolarHBondContact O-CB 3.11Å; P593-A596 PolarHBondContact O-N 3.49Å; P593-F597 WeakPolarHBondContact O-CD2 3.34Å
594	L	76.1	Confident	67.5	Low	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-49.8	-41.8	-179.5	-72.9	165.2	0	0	0	112.5	L536 T539 L541 A596 F597 T1163 N1167 L1170	L536-L594 HydrophobicContact CD2-CB 4.28Å; L536-L594 HydrophobicContact CD2-CD1 4.17Å; T539-L594 HydrophobicContact CG2-CD1 4.1Å; T539-L594 WeakPolarHBondContact O-CG 3.47Å; T539-L594 PolarHBondContact O-N 3.24Å; L541-L594 HydrophobicContact CB-CD2 4.12Å; L541-L594 HydrophobicContact CD1-CD2 3.67Å; L594-A596 PolarHBondContact O-N 3.21Å; L594-A596 VanDerWaalsContact O-N 3.17Å; L594-F597 PolarHBondContact O-N 2.74Å; L594-T1163 HydrophobicContact CD1-CG2 3.55Å; L594-N1167 HydrophobicContact CD1-CB 4.33Å; L594-N1167 HydrophobicContact CD2-CB 3.69Å; L594-L1170 HydrophobicContact CB-CD1 4.45Å; L594-L1170 HydrophobicContact CD2-CD1 3.75Å
595	L	74.6	Confident	68.9	Low	3 Å²	3	35 Å²	35	2%	0.016	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.2	179.9	-153.6	64.1	0	0	0	113.9	V500 L536 V537 P593 F597 L600	V500-L595 HydrophobicContact CG1-CD1 4.44Å; L536-L595 HydrophobicContact CB-CB 4.36Å; L536-L595 HydrophobicContact CB-CD1 4.31Å; L536-L595 HydrophobicContact CD1-CD1 4.41Å; L536-L595 PolarHBondContact O-N 2.93Å; V537-L595 HydrophobicContact CG2-CD2 3.54Å; P593-L595 PolarHBondContact O-N 2.91Å; P593-L595 VanDerWaalsContact O-N 3.12Å; L595-F597 PolarHBondContact O-N 2.9Å; L595-L600 HydrophobicContact CD1-CD1 4.34Å; L595-L600 HydrophobicContact CD1-CD2 3.91Å; L595-L600 HydrophobicContact CD1-CG 4.23Å; L595-L600 HydrophobicContact CD2-CD1 3.98Å; L595-L600 HydrophobicContact CG-CD1 4.05Å; L595-L600 HydrophobicContact CG-CG 4.43Å
596	A	66	Low	70.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-72.8	-16.3	173.9	0	0	0	0	0	113.3	Y335 F559 T562 V563 L592 P593 L594	Y335-A596 VanDerWaalsContact OH-CA 3.28Å; Y335-A596 WeakPolarHBondContact OH-CA 3.38Å; Y335-A596 WeakPolarHBondContact OH-CB 3.44Å; Y335-A596 PolarHBondContact OH-N 3.4Å; Y335-A596 VanDerWaalsContact OH-N 3.14Å; F559-A596 HydrophobicContact CD2-CB 4.16Å; F559-A596 WeakPolarHBondContact CD2-O 3.41Å; F559-A596 HydrophobicContact CE2-CB 4.14Å; T562-A596 WeakPolarHBondContact CG2-O 3.25Å; V563-A596 WeakPolarHBondContact CG2-O 3.44Å; L592-A596 HydrophobicContact CB-CB 4.27Å; L592-A596 HydrophobicContact CD2-CB 4.27Å; P593-A596 HydrophobicContact CG-CB 4.28Å; P593-A596 WeakPolarHBondContact O-CB 3.11Å; P593-A596 PolarHBondContact O-N 3.49Å; L594-A596 PolarHBondContact O-N 3.21Å; L594-A596 VanDerWaalsContact O-N 3.17Å
597	F	75.1	Confident	72.3	Confident	1 Å²	1	30 Å²	30	0%	0.004	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-104.1	-1.9	179	-54.4	-86.6	0	0	0	113.2	L541 L555 F559 T562 I589 L592 P593 L594 L595 L1170	L541-F597 HydrophobicContact CB-CD2 4.09Å; L541-F597 HydrophobicContact CB-CE2 3.65Å; L541-F597 HydrophobicContact CB-CZ 4.3Å; L541-F597 HydrophobicContact CD2-CD1 4.26Å; L541-F597 HydrophobicContact CD2-CD2 3.91Å; L541-F597 HydrophobicContact CD2-CE1 4.18Å; L541-F597 HydrophobicContact CD2-CE2 3.81Å; L541-F597 HydrophobicContact CD2-CG 4.13Å; L541-F597 HydrophobicContact CD2-CZ 3.95Å; L541-F597 HydrophobicContact CG-CE2 4.4Å; L555-F597 HydrophobicContact CB-CD1 4.45Å; L555-F597 HydrophobicContact CB-CE1 4.23Å; F559-F597 HydrophobicContact CB-CD1 4.12Å; F559-F597 HydrophobicContact CB-CE1 4.2Å; T562-F597 PolarHBondContact OG1-O 3.34Å; I589-F597 HydrophobicContact CG2-CE1 4.28Å; I589-F597 HydrophobicContact CG2-CZ 4.03Å; L592-F597 HydrophobicContact CB-CE2 3.7Å; L592-F597 HydrophobicContact CB-CZ 3.68Å; L592-F597 HydrophobicContact CD1-CE1 4.49Å; L592-F597 HydrophobicContact CD1-CZ 4.1Å; P593-F597 WeakPolarHBondContact O-CD2 3.34Å; L594-F597 PolarHBondContact O-N 2.74Å; L595-F597 PolarHBondContact O-N 2.9Å; F597-L1170 HydrophobicContact CB-CD1 3.89Å; F597-L1170 HydrophobicContact CB-CD2 3.54Å; F597-L1170 HydrophobicContact CB-CG 4.36Å; F597-L1170 WeakPolarHBondContact O-CD2 3.44Å
598	C	79.8	Confident	74	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	-179.7	-61.1	0	0	0	0	112	T498 V500 T562 L600	T498-C598 CarbonylContact O-C 3.57Å; T498-C598 VanDerWaalsContact O-CA 3.29Å; T498-C598 WeakPolarHBondContact O-CA 3.43Å; V500-C598 HydrophobicContact CB-CB 4.37Å; V500-C598 HydrophobicContact CG2-CB 3.72Å; T562-C598 WeakPolarHBondContact CG2-O 3.4Å; C598-L600 PolarHBondContact O-N 3.23Å; C598-L600 VanDerWaalsContact O-N 3.12Å
599	R	79.3	Confident	75.7	Confident	30 Å²	30	33.2 Å²	33.2	11%	0.113	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	112	169.7	-177.4	61.8	179.4	-155.2	-1.1	109.4	S472 V497 T498 A499 V500 T562 D566 V601 F719	S472-R599 PolarHBondContact OG-NH2 3.48Å; V497-R599 HydrophobicContact CG2-CB 3.82Å; T498-R599 PolarHBondContact O-N 2.93Å; A499-R599 CarbonylContact C-O 3.58Å; A499-R599 VanDerWaalsContact CA-O 3.26Å; A499-R599 WeakPolarHBondContact CA-O 3.41Å; V500-R599 PolarHBondContact N-O 3.44Å; T562-R599 PolarHBondContact O-NH1 3.13Å; D566-R599 IonicContact OD1-NH2 3.45Å; D566-R599 IonicContact OD2-CZ 2.7Å; D566-R599 VanDerWaalsContact OD2-CZ 3.26Å; D566-R599 IonicContact OD2-NH1 3.31Å; D566-R599 PolarHBondContact OD2-NH1 3.19Å; D566-R599 IonicContact OD2-NH2 3.53Å; D566-R599 PolarHBondContact OD2-NH2 3.42Å; R599-V601 PolarHBondContact O-N 2.57Å; R599-F719 HydrophobicContact CB-CE1 4.11Å; R599-F719 HydrophobicContact CG-CE1 4.01Å; R599-F719 HydrophobicContact CG-CZ 4.26Å
600	L	71.7	Confident	77.3	Confident	26 Å²	26	33.5 Å²	33.5	14%	0.136	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.3	170.1	-75.1	162.5	0	0	0	110.1	L469 V500 L595 C598	L469-L600 HydrophobicContact CD1-CB 3.68Å; L469-L600 HydrophobicContact CD1-CD1 4.11Å; L469-L600 HydrophobicContact CD1-CG 4.43Å; L469-L600 HydrophobicContact CD2-CB 4.08Å; L469-L600 HydrophobicContact CD2-CD1 3.49Å; L469-L600 VanDerWaalsContact CD2-CD1 3.49Å; L469-L600 HydrophobicContact CD2-CG 4.43Å; L469-L600 HydrophobicContact CG-CD1 4.43Å; V500-L600 HydrophobicContact CB-CD2 3.98Å; V500-L600 HydrophobicContact CG1-CD2 3.87Å; V500-L600 CarbonylContact O-C 3.59Å; V500-L600 WeakPolarHBondContact O-CA 3.36Å; L595-L600 HydrophobicContact CD1-CD1 4.34Å; L595-L600 HydrophobicContact CD1-CD2 3.91Å; L595-L600 HydrophobicContact CD1-CG 4.23Å; L595-L600 HydrophobicContact CD2-CD1 3.98Å; L595-L600 HydrophobicContact CG-CD1 4.05Å; L595-L600 HydrophobicContact CG-CG 4.43Å; C598-L600 PolarHBondContact O-N 3.23Å; C598-L600 VanDerWaalsContact O-N 3.12Å
601	V	69.6	Low	79	Confident	8 Å²	8	30.6 Å²	30.6	5%	0.048	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.7	-177.1	176.8	0	0	0	0	108.7	A499 V500 A501 R599 F719	A499-V601 HydrophobicContact CB-CG2 3.83Å; V500-V601 PolarHBondContact O-N 3.18Å; A501-V601 HydrophobicContact CB-CB 4.47Å; R599-V601 PolarHBondContact O-N 2.57Å; V601-F719 HydrophobicContact CG2-CE2 3.63Å; V601-F719 HydrophobicContact CG2-CZ 3.73Å
602	R	63.4	Low	80.7	Confident	52 Å²	52	27.2 Å²	27.2	20%	0.196	13%	0.134	C	C	.	.			trans	-82.4	126.2	159.6	-55.9	-157.5	175.9	139.1	3.8	108.4	W466 L469 E471	W466-R602 HydrophobicContact CE3-CG 4.26Å; W466-R602 HydrophobicContact CH2-CB 3.67Å; W466-R602 HydrophobicContact CH2-CG 3.44Å; W466-R602 VanDerWaalsContact CH2-CG 3.44Å; W466-R602 HydrophobicContact CZ2-CB 4.16Å; W466-R602 HydrophobicContact CZ2-CG 3.8Å; W466-R602 HydrophobicContact CZ3-CB 4.23Å; W466-R602 HydrophobicContact CZ3-CG 3.66Å; W466-R602 PolarHBondContact O-NH2 3.21Å; L469-R602 PolarHBondContact O-NH2 3.23Å; E471-R602 VanDerWaalsContact CG-NH1 3.25Å
603	A	65.7	Low	82.4	Confident	20 Å²	20	27.5 Å²	27.5	17%	0.165	14%	0.136	C	C	.	.			trans	-109.7	176.5	168.6	0	0	0	0	0	111.7	Q706 C709	A603-Q706 HydrophobicContact CB-CB 4.29Å; A603-Q706 HydrophobicContact CB-CG 3.96Å; A603-C709 HydrophobicContact CB-CB 3.95Å
604	R	84.3	Confident	83.9	Confident	86 Å²	86	27.5 Å²	27.5	33%	0.325	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-97	168.3	176.6	57.3	176.4	176.1	87.1	-2.8	110.7	E610 G705	R604-E610 IonicContact CZ-OE1 2.67Å; R604-E610 IonicContact CZ-OE2 3.79Å; R604-E610 IonicContact NH1-OE1 2.85Å; R604-E610 PolarHBondContact NH1-OE1 2.98Å; R604-E610 IonicContact NH1-OE2 3.36Å; R604-E610 PolarHBondContact NH1-OE2 3.2Å; R604-E610 IonicContact NH2-OE1 3.17Å; R604-E610 PolarHBondContact NH2-OE1 3.22Å; R604-E610 IonicContact NH2-OE2 2.77Å; R604-G705 CarbonylContact O-C 3.52Å; R604-G705 VanDerWaalsContact O-CA 3.31Å; R604-G705 WeakPolarHBondContact O-CA 3.47Å
605	M	90.3	Very high	84.9	Confident	53 Å²	53	27.9 Å²	27.9	26%	0.261	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-62.9	146.6	159.6	-67.7	175.2	-63.4	0	0	111.1	I626 R698 R701 L702	M605-I626 HydrophobicContact CE-CD1 4.4Å; M605-I626 HydrophobicContact SD-CD1 3.59Å; M605-I626 VanDerWaalsContact SD-CD1 3.59Å; M605-R698 HydrophobicContact SD-CG 4.03Å; M605-R698 PolarHBondContact SD-NH1 3.1Å; M605-R701 CarbonylContact C-O 3.55Å; M605-R701 WeakPolarHBondContact CA-O 3.44Å; M605-R701 HydrophobicContact CB-CB 4.17Å; M605-R701 HydrophobicContact CG-CB 4.29Å; M605-L702 HydrophobicContact CG-CD2 3.64Å; M605-L702 HydrophobicContact CG-CG 3.83Å
606	A	94	Very high	85.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-60	142.2	161.8	0	0	0	0	0	111	L611 R701 V704	A606-L611 HydrophobicContact CB-CD2 3.86Å; A606-L611 HydrophobicContact CB-CG 4.28Å; A606-R701 PolarHBondContact N-O 3.05Å; A606-R701 PolarHBondContact O-NE 3.49Å; A606-R701 PolarHBondContact O-NH2 2.97Å; A606-V704 HydrophobicContact CB-CB 3.94Å; A606-V704 HydrophobicContact CB-CG1 3.75Å
607	T	95.1	Very high	87.3	Confident	40 Å²	40	32 Å²	32	25%	0.245	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-82.6	158.3	170.8	64	0	0	0	0	110.5	N609 E610 L611	T607-N609 VanDerWaalsContact C-N 3.25Å; T607-N609 PolarHBondContact O-N 3.4Å; T607-E610 WeakPolarHBondContact CB-OE2 3.45Å; T607-E610 WeakPolarHBondContact CG2-OE2 3.28Å; T607-E610 PolarHBondContact N-OE2 3.11Å; T607-E610 WeakPolarHBondContact O-CB 3.1Å; T607-E610 PolarHBondContact O-N 3.2Å; T607-E610 VanDerWaalsContact OG1-CD 3.25Å; T607-E610 WeakPolarHBondContact OG1-CG 3.43Å; T607-E610 PolarHBondContact OG1-OE2 3.12Å; T607-L611 PolarHBondContact O-N 2.97Å
608	M	94.8	Very high	88.1	Confident	36 Å²	36	37.6 Å²	37.6	18%	0.177	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-42.1	-177.7	-52.8	-59	-93.9	0	0	111.2	E610 L611 Q612 V620 R701	M608-E610 PolarHBondContact O-N 3.48Å; M608-L611 WeakPolarHBondContact O-CB 3.36Å; M608-L611 PolarHBondContact O-N 2.9Å; M608-L611 VanDerWaalsContact O-N 3.14Å; M608-L611 HydrophobicContact SD-CD1 4.34Å; M608-Q612 WeakPolarHBondContact O-CB 3.35Å; M608-Q612 VanDerWaalsContact O-CG 3.29Å; M608-Q612 WeakPolarHBondContact O-CG 3.49Å; M608-Q612 PolarHBondContact O-N 3.45Å; M608-V620 HydrophobicContact CB-CG1 3.94Å; M608-V620 HydrophobicContact CE-CG1 3.84Å; M608-V620 VanDerWaalsContact CE-O 3.26Å; M608-V620 WeakPolarHBondContact CE-O 3.31Å; M608-V620 HydrophobicContact SD-CG1 4.09Å; M608-R701 PolarHBondContact SD-NH1 3.47Å
609	N	95.8	Very high	88.8	Confident	105 Å²	105	37.8 Å²	37.8	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-59.9	-26.7	175.5	-55.4	64.1	0	0	0	114.2	T607	T607-N609 VanDerWaalsContact C-N 3.25Å; T607-N609 PolarHBondContact O-N 3.4Å
610	E	96.9	Very high	89.6	Confident	13 Å²	13	36.4 Å²	36.4	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-83.1	-33.5	177	-70.8	161.8	136.6	0	0	111.4	R604 T607 M608 Q612 I613 L708 I749	R604-E610 IonicContact CZ-OE1 2.67Å; R604-E610 IonicContact CZ-OE2 3.79Å; R604-E610 IonicContact NH1-OE1 2.85Å; R604-E610 PolarHBondContact NH1-OE1 2.98Å; R604-E610 IonicContact NH1-OE2 3.36Å; R604-E610 PolarHBondContact NH1-OE2 3.2Å; R604-E610 IonicContact NH2-OE1 3.17Å; R604-E610 PolarHBondContact NH2-OE1 3.22Å; R604-E610 IonicContact NH2-OE2 2.77Å; T607-E610 WeakPolarHBondContact CB-OE2 3.45Å; T607-E610 WeakPolarHBondContact CG2-OE2 3.28Å; T607-E610 PolarHBondContact N-OE2 3.11Å; T607-E610 WeakPolarHBondContact O-CB 3.1Å; T607-E610 PolarHBondContact O-N 3.2Å; T607-E610 VanDerWaalsContact OG1-CD 3.25Å; T607-E610 WeakPolarHBondContact OG1-CG 3.43Å; T607-E610 PolarHBondContact OG1-OE2 3.12Å; M608-E610 PolarHBondContact O-N 3.48Å; E610-Q612 VanDerWaalsContact C-N 3.32Å; E610-I613 HydrophobicContact CB-CD1 4.4Å; E610-I613 HydrophobicContact CG-CD1 4.49Å; E610-I613 VanDerWaalsContact O-CB 3.25Å; E610-I613 WeakPolarHBondContact O-CB 3.38Å; E610-I613 WeakPolarHBondContact O-CG1 3.22Å; E610-I613 PolarHBondContact O-N 3.12Å; E610-L708 HydrophobicContact CB-CD1 4.1Å; E610-L708 HydrophobicContact CG-CD1 4.14Å; E610-I749 VanDerWaalsContact O-CG2 3.25Å; E610-I749 WeakPolarHBondContact O-CG2 3.22Å
611	L	97.8	Very high	90.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-41	170.1	-53.8	169.4	0	0	0	110.3	A606 T607 M608 I613 F614 H615 V620 R701 V704 F744 I749	A606-L611 HydrophobicContact CB-CD2 3.86Å; A606-L611 HydrophobicContact CB-CG 4.28Å; T607-L611 PolarHBondContact O-N 2.97Å; M608-L611 WeakPolarHBondContact O-CB 3.36Å; M608-L611 PolarHBondContact O-N 2.9Å; M608-L611 VanDerWaalsContact O-N 3.14Å; M608-L611 HydrophobicContact SD-CD1 4.34Å; L611-I613 PolarHBondContact O-N 3.24Å; L611-F614 PolarHBondContact O-N 2.71Å; L611-F614 VanDerWaalsContact O-N 3.16Å; L611-H615 PolarHBondContact O-CD2 3.33Å; L611-H615 PolarHBondContact O-N 2.98Å; L611-V620 HydrophobicContact CB-CB 4.41Å; L611-V620 HydrophobicContact CB-CG1 3.95Å; L611-V620 HydrophobicContact CB-CG2 3.51Å; L611-V620 HydrophobicContact CD1-CG1 3.95Å; L611-R701 HydrophobicContact CD1-CG 3.95Å; L611-V704 HydrophobicContact CD2-CB 4.29Å; L611-V704 HydrophobicContact CD2-CG1 4.14Å; L611-V704 HydrophobicContact CD2-CG2 4.05Å; L611-F744 HydrophobicContact CB-CE1 4.44Å; L611-F744 HydrophobicContact CD1-CE1 4.16Å; L611-F744 HydrophobicContact CD1-CE2 4.04Å; L611-F744 HydrophobicContact CD1-CZ 3.84Å; L611-F744 HydrophobicContact CD2-CB 4.26Å; L611-F744 HydrophobicContact CD2-CD1 4.04Å; L611-F744 HydrophobicContact CD2-CD2 3.92Å; L611-F744 HydrophobicContact CD2-CE1 4.37Å; L611-F744 HydrophobicContact CD2-CE2 4.27Å; L611-F744 HydrophobicContact CD2-CG 3.82Å; L611-F744 HydrophobicContact CD2-CZ 4.48Å; L611-I749 HydrophobicContact CD2-CD1 4.22Å
612	Q	97.2	Very high	91.5	Very high	64 Å²	64	39.8 Å²	39.8	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	0.9	173.1	-70.2	167.7	-11.6	0	0	114.4	M608 E610 F614 H615 N617 V620	M608-Q612 WeakPolarHBondContact O-CB 3.35Å; M608-Q612 VanDerWaalsContact O-CG 3.29Å; M608-Q612 WeakPolarHBondContact O-CG 3.49Å; M608-Q612 PolarHBondContact O-N 3.45Å; E610-Q612 VanDerWaalsContact C-N 3.32Å; Q612-F614 VanDerWaalsContact C-N 3.25Å; Q612-H615 WeakPolarHBondContact CA-O 3.37Å; Q612-N617 PolarHBondContact NE2-OD1 2.83Å; Q612-V620 HydrophobicContact CG-CB 4.13Å; Q612-V620 HydrophobicContact CG-CG1 4.12Å; Q612-V620 HydrophobicContact CG-CG2 4.09Å
613	I	96.5	Very high	92.9	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.087	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-34	168.1	-69.4	175.2	0	0	0	110.2	E610 L611 L752 H753 R756	E610-I613 HydrophobicContact CB-CD1 4.4Å; E610-I613 HydrophobicContact CG-CD1 4.49Å; E610-I613 VanDerWaalsContact O-CB 3.25Å; E610-I613 WeakPolarHBondContact O-CB 3.38Å; E610-I613 WeakPolarHBondContact O-CG1 3.22Å; E610-I613 PolarHBondContact O-N 3.12Å; L611-I613 PolarHBondContact O-N 3.24Å; I613-L752 HydrophobicContact CG2-CB 3.4Å; I613-L752 VanDerWaalsContact CG2-CB 3.4Å; I613-L752 HydrophobicContact CG2-CD1 4.28Å; I613-L752 HydrophobicContact CG2-CG 4.49Å; I613-H753 HydrophobicContact CD1-CB 3.76Å; I613-R756 PolarHBondContact O-NH1 3.36Å; I613-R756 PolarHBondContact O-NH2 3.02Å
614	F	97.3	Very high	94.1	Very high	21 Å²	21	36.6 Å²	36.6	9%	0.092	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-35.6	-176.4	179.6	-104.2	0	0	0	113.6	L611 Q612 A733 P735 N745 A748 I749 L752 G775 L778 A779	L611-F614 PolarHBondContact O-N 2.71Å; L611-F614 VanDerWaalsContact O-N 3.16Å; Q612-F614 VanDerWaalsContact C-N 3.25Å; F614-A733 WeakPolarHBondContact CE1-O 3.34Å; F614-P735 HydrophobicContact CE1-CG 4.02Å; F614-P735 HydrophobicContact CE2-CG 4.08Å; F614-P735 HydrophobicContact CZ-CG 3.73Å; F614-P735 WeakPolarHBondContact O-CB 3.2Å; F614-N745 HydrophobicContact CD1-CB 4.07Å; F614-N745 HydrophobicContact CE1-CB 4.02Å; F614-A748 HydrophobicContact CD2-CB 4.27Å; F614-A748 HydrophobicContact CG-CB 4.3Å; F614-I749 HydrophobicContact CB-CG1 3.89Å; F614-L752 HydrophobicContact CB-CD1 4.14Å; F614-L752 HydrophobicContact CD2-CD1 3.84Å; F614-L752 HydrophobicContact CG-CD1 4.42Å; F614-G775 WeakPolarHBondContact CZ-O 3.36Å; F614-L778 HydrophobicContact CE2-CB 4.2Å; F614-L778 HydrophobicContact CZ-CB 4.12Å; F614-A779 HydrophobicContact CD2-CB 4.14Å; F614-A779 HydrophobicContact CE2-CB 3.88Å
615	H	97.7	Very high	94.3	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	18%	0.184	C	C	.	.	S	Bend	trans	-93	158.4	-178.2	-59.9	-82.3	0	0	0	112.8	L611 Q612 Y619 V620 A733 E734 P735 F744 N745 I749	L611-H615 PolarHBondContact O-CD2 3.33Å; L611-H615 PolarHBondContact O-N 2.98Å; Q612-H615 WeakPolarHBondContact CA-O 3.37Å; H615-Y619 HydrophobicContact CB-CD1 3.76Å; H615-Y619 HydrophobicContact CB-CE1 4.32Å; H615-Y619 AromaticContact CG-CD1 3.87Å; H615-Y619 AromaticContact CG-CE1 3.91Å; H615-Y619 AromaticContact ND1-CD1 3.67Å; H615-Y619 AromaticContact ND1-CE1 3.38Å; H615-Y619 WeakPolarHBondContact ND1-CE1 3.36Å; H615-V620 HydrophobicContact CB-CG2 3.64Å; H615-A733 WeakPolarHBondContact CE1-CB 3.33Å; H615-A733 PolarHBondContact CE1-O 3.49Å; H615-E734 PolarHBondContact CE1-O 3.15Å; H615-E734 PolarHBondContact ND1-O 3.24Å; H615-P735 CarbonylContact C-O 3.58Å; H615-P735 VanDerWaalsContact CA-O 3.28Å; H615-P735 WeakPolarHBondContact CA-O 3.18Å; H615-F744 AromaticContact CD2-CD1 3.72Å; H615-F744 WeakPolarHBondContact NE2-CA 3.25Å; H615-N745 VanDerWaalsContact NE2-CA 3.31Å; H615-N745 WeakPolarHBondContact NE2-CA 3.06Å; H615-N745 WeakPolarHBondContact NE2-CB 3.43Å; H615-N745 PolarHBondContact NE2-N 3.26Å; H615-I749 VanDerWaalsContact NE2-CD1 3.31Å; H615-I749 WeakPolarHBondContact NE2-CD1 3.44Å
616	S	95.7	Very high	93.9	Very high	24 Å²	24	35.6 Å²	35.6	17%	0.168	18%	0.184	C	C	.	.			trans	-66.3	161.1	173.9	78.1	0	0	0	0	112.2	E618 Y619 V620 P735 D736	S616-E618 VanDerWaalsContact C-N 3.3Å; S616-E618 PolarHBondContact O-N 2.77Å; S616-Y619 WeakPolarHBondContact OG-CB 3.23Å; S616-Y619 PolarHBondContact OG-N 2.86Å; S616-V620 WeakPolarHBondContact O-CB 3.2Å; S616-V620 WeakPolarHBondContact O-CG2 3.37Å; S616-V620 PolarHBondContact O-N 3.22Å; S616-P735 PolarHBondContact N-O 3.31Å; S616-D736 WeakPolarHBondContact CB-OD1 3.39Å; S616-D736 PolarHBondContact OG-OD1 2.89Å
617	N	95.1	Very high	92.9	Very high	65 Å²	65	37.8 Å²	37.8	35%	0.348	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-43.6	174.5	167.5	64.8	0	0	0	110.4	Q612 Y619 V620 Q621	Q612-N617 PolarHBondContact NE2-OD1 2.83Å; N617-Y619 PolarHBondContact O-N 3Å; N617-V620 CarbonylContact O-C 3.49Å; N617-V620 PolarHBondContact O-N 2.68Å; N617-V620 VanDerWaalsContact O-N 3.14Å; N617-Q621 WeakPolarHBondContact O-CG 3.39Å; N617-Q621 PolarHBondContact O-N 2.85Å; N617-Q621 PolarHBondContact OD1-NE2 3.28Å
618	E	92	Very high	91.1	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	22%	0.224	S	C	*	.	H	α-helix	trans	-64.4	-43.5	-174.2	-68.2	55.6	-125.4	0	0	110.8	S616 T622	S616-E618 VanDerWaalsContact C-N 3.3Å; S616-E618 PolarHBondContact O-N 2.77Å; E618-T622 VanDerWaalsContact O-CB 3.23Å; E618-T622 WeakPolarHBondContact O-CB 3.38Å; E618-T622 PolarHBondContact O-N 2.99Å; E618-T622 VanDerWaalsContact O-N 3.16Å; E618-T622 PolarHBondContact O-OG1 3.27Å
619	Y	94.3	Very high	88.9	Confident	6 Å²	6	45.8 Å²	45.8	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-45	171.3	-176.4	-91.6	0	0	0	111.9	H615 S616 N617 T622 F623 D736 A738 Y743 F744	H615-Y619 HydrophobicContact CB-CD1 3.76Å; H615-Y619 HydrophobicContact CB-CE1 4.32Å; H615-Y619 AromaticContact CG-CD1 3.87Å; H615-Y619 AromaticContact CG-CE1 3.91Å; H615-Y619 AromaticContact ND1-CD1 3.67Å; H615-Y619 AromaticContact ND1-CE1 3.38Å; H615-Y619 WeakPolarHBondContact ND1-CE1 3.36Å; S616-Y619 WeakPolarHBondContact OG-CB 3.23Å; S616-Y619 PolarHBondContact OG-N 2.86Å; N617-Y619 PolarHBondContact O-N 3Å; Y619-T622 PolarHBondContact O-N 3.03Å; Y619-T622 VanDerWaalsContact O-N 3.08Å; Y619-F623 HydrophobicContact CD1-CD2 4.2Å; Y619-F623 AromaticContact CD2-CD2 3.6Å; Y619-F623 HydrophobicContact CD2-CD2 3.6Å; Y619-F623 AromaticContact CD2-CE2 3.66Å; Y619-F623 HydrophobicContact CD2-CE2 3.66Å; Y619-F623 HydrophobicContact CE1-CD2 4.01Å; Y619-F623 AromaticContact CE2-CD2 3.36Å; Y619-F623 HydrophobicContact CE2-CD2 3.36Å; Y619-F623 AromaticContact CE2-CE2 3.36Å; Y619-F623 HydrophobicContact CE2-CE2 3.36Å; Y619-F623 HydrophobicContact CG-CD2 4.03Å; Y619-F623 HydrophobicContact CG-CE2 4.49Å; Y619-F623 AromaticContact CZ-CD2 3.6Å; Y619-F623 PolarHBondContact O-N 3.2Å; Y619-D736 WeakPolarHBondContact CD2-O 3.29Å; Y619-D736 VanDerWaalsContact CE2-C 3.49Å; Y619-A738 HydrophobicContact CE2-CB 4.39Å; Y619-A738 WeakPolarHBondContact OH-CA 3.24Å; Y619-A738 WeakPolarHBondContact OH-CB 3.5Å; Y619-A738 PolarHBondContact OH-N 3.45Å; Y619-Y743 WeakPolarHBondContact CE1-O 3.32Å; Y619-Y743 PolarHBondContact OH-O 2.78Å; Y619-F744 HydrophobicContact CD1-CD1 4.45Å; Y619-F744 AromaticContact CD1-CE1 3.94Å; Y619-F744 HydrophobicContact CD1-CE1 3.94Å; Y619-F744 AromaticContact CE1-CD1 3.82Å; Y619-F744 HydrophobicContact CE1-CD1 3.82Å; Y619-F744 AromaticContact CE1-CE1 3.6Å; Y619-F744 HydrophobicContact CE1-CE1 3.6Å
620	V	95.7	Very high	85.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-38.6	179.9	167	0	0	0	0	112.9	M608 L611 Q612 H615 S616 N617 T622 G624 F744	M608-V620 HydrophobicContact CB-CG1 3.94Å; M608-V620 HydrophobicContact CE-CG1 3.84Å; M608-V620 VanDerWaalsContact CE-O 3.26Å; M608-V620 WeakPolarHBondContact CE-O 3.31Å; M608-V620 HydrophobicContact SD-CG1 4.09Å; L611-V620 HydrophobicContact CB-CB 4.41Å; L611-V620 HydrophobicContact CB-CG1 3.95Å; L611-V620 HydrophobicContact CB-CG2 3.51Å; L611-V620 HydrophobicContact CD1-CG1 3.95Å; Q612-V620 HydrophobicContact CG-CB 4.13Å; Q612-V620 HydrophobicContact CG-CG1 4.12Å; Q612-V620 HydrophobicContact CG-CG2 4.09Å; H615-V620 HydrophobicContact CB-CG2 3.64Å; S616-V620 WeakPolarHBondContact O-CB 3.2Å; S616-V620 WeakPolarHBondContact O-CG2 3.37Å; S616-V620 PolarHBondContact O-N 3.22Å; N617-V620 CarbonylContact O-C 3.49Å; N617-V620 PolarHBondContact O-N 2.68Å; N617-V620 VanDerWaalsContact O-N 3.14Å; V620-T622 PolarHBondContact O-N 2.79Å; V620-G624 WeakPolarHBondContact O-CA 3.3Å; V620-G624 PolarHBondContact O-N 2.96Å; V620-F744 HydrophobicContact CG2-CE1 4.26Å
621	Q	92	Very high	82.9	Confident	86 Å²	86	49.7 Å²	49.7	40%	0.402	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-35	171.1	-61.2	-50.4	-24.7	0	0	111.2	N617 T625	N617-Q621 WeakPolarHBondContact O-CG 3.39Å; N617-Q621 PolarHBondContact O-N 2.85Å; N617-Q621 PolarHBondContact OD1-NE2 3.28Å; Q621-T625 VanDerWaalsContact O-CB 3.25Å; Q621-T625 WeakPolarHBondContact O-CB 3.33Å; Q621-T625 PolarHBondContact O-OG1 3.17Å
622	T	89.3	Confident	79.9	Confident	19 Å²	19	56.3 Å²	56.3	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-77.3	-44.5	-173	-65.3	0	0	0	0	112.9	E618 Y619 V620 S670 L671	E618-T622 VanDerWaalsContact O-CB 3.23Å; E618-T622 WeakPolarHBondContact O-CB 3.38Å; E618-T622 PolarHBondContact O-N 2.99Å; E618-T622 VanDerWaalsContact O-N 3.16Å; E618-T622 PolarHBondContact O-OG1 3.27Å; Y619-T622 PolarHBondContact O-N 3.03Å; Y619-T622 VanDerWaalsContact O-N 3.08Å; V620-T622 PolarHBondContact O-N 2.79Å; T622-S670 PolarHBondContact OG1-OG 3.42Å; T622-L671 HydrophobicContact CG2-CB 3.91Å; T622-L671 HydrophobicContact CG2-CD1 3.48Å; T622-L671 VanDerWaalsContact CG2-CD1 3.48Å; T622-L671 HydrophobicContact CG2-CG 4.21Å
623	F	92.8	Very high	77	Confident	6 Å²	6	60 Å²	60	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-101.4	-20.3	179.2	-66.1	-71.1	0	0	0	114.9	Y619 L671 V685 W691 A697 A738 Y743 F744	Y619-F623 HydrophobicContact CD1-CD2 4.2Å; Y619-F623 AromaticContact CD2-CD2 3.6Å; Y619-F623 HydrophobicContact CD2-CD2 3.6Å; Y619-F623 AromaticContact CD2-CE2 3.66Å; Y619-F623 HydrophobicContact CD2-CE2 3.66Å; Y619-F623 HydrophobicContact CE1-CD2 4.01Å; Y619-F623 AromaticContact CE2-CD2 3.36Å; Y619-F623 HydrophobicContact CE2-CD2 3.36Å; Y619-F623 AromaticContact CE2-CE2 3.36Å; Y619-F623 HydrophobicContact CE2-CE2 3.36Å; Y619-F623 HydrophobicContact CG-CD2 4.03Å; Y619-F623 HydrophobicContact CG-CE2 4.49Å; Y619-F623 AromaticContact CZ-CD2 3.6Å; Y619-F623 PolarHBondContact O-N 3.2Å; F623-L671 HydrophobicContact CD1-CD1 3.98Å; F623-L671 HydrophobicContact CE1-CD1 3.34Å; F623-L671 HydrophobicContact CE2-CD1 4.45Å; F623-L671 HydrophobicContact CZ-CD1 3.62Å; F623-V685 HydrophobicContact CE1-CG1 3.47Å; F623-V685 VanDerWaalsContact CE1-CG1 3.47Å; F623-V685 HydrophobicContact CZ-CG1 3.68Å; F623-W691 HydrophobicContact CD1-CE3 4.26Å; F623-W691 HydrophobicContact CD1-CH2 4.12Å; F623-W691 AromaticContact CD1-CZ3 3.75Å; F623-W691 HydrophobicContact CD1-CZ3 3.75Å; F623-A697 WeakPolarHBondContact O-CA 3.37Å; F623-A697 VanDerWaalsContact O-CB 3.28Å; F623-A697 WeakPolarHBondContact O-CB 3.19Å; F623-A738 HydrophobicContact CZ-CB 4.33Å; F623-Y743 AromaticContact CD1-CD1 3.71Å; F623-Y743 HydrophobicContact CD1-CD1 3.71Å; F623-Y743 AromaticContact CD1-CE1 3.74Å; F623-Y743 HydrophobicContact CD1-CE1 3.74Å; F623-Y743 HydrophobicContact CE1-CD1 4.18Å; F623-Y743 AromaticContact CE1-CE1 3.85Å; F623-Y743 HydrophobicContact CE1-CE1 3.85Å; F623-Y743 HydrophobicContact CG-CD1 4.21Å; F623-F744 HydrophobicContact CB-CE1 4.33Å; F623-F744 HydrophobicContact CB-CE2 4.45Å; F623-F744 HydrophobicContact CB-CZ 3.78Å
624	G	91.3	Very high	73.7	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-91.2	-16.2	-175.4	0	0	0	0	0	114.4	V620 I626 R701	V620-G624 WeakPolarHBondContact O-CA 3.3Å; V620-G624 PolarHBondContact O-N 2.96Å; G624-I626 PolarHBondContact O-N 3.04Å; G624-R701 WeakPolarHBondContact O-CD 3.37Å; G624-R701 PolarHBondContact O-NH1 3.3Å
625	T	89.5	Confident	70.3	Confident	64 Å²	64	74.4 Å²	74.4	39%	0.393	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-72.3	126.8	179.7	-64.8	0	0	0	0	110.9	Q621 A697	Q621-T625 VanDerWaalsContact O-CB 3.25Å; Q621-T625 WeakPolarHBondContact O-CB 3.33Å; Q621-T625 PolarHBondContact O-OG1 3.17Å; T625-A697 WeakPolarHBondContact O-CB 3.35Å
626	I	81.6	Confident	67	Low	54 Å²	54	78.9 Å²	78.9	28%	0.277	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-96	118.1	177	-60	173.4	0	0	0	107.6	M605 G624 T628 A697 R698	M605-I626 HydrophobicContact CE-CD1 4.4Å; M605-I626 HydrophobicContact SD-CD1 3.59Å; M605-I626 VanDerWaalsContact SD-CD1 3.59Å; G624-I626 PolarHBondContact O-N 3.04Å; I626-T628 PolarHBondContact O-N 3.35Å; I626-A697 HydrophobicContact CG1-CB 4.26Å; I626-R698 HydrophobicContact CD1-CB 4.1Å; I626-R698 HydrophobicContact CD1-CG 4.31Å; I626-R698 HydrophobicContact CG1-CB 4.44Å
627	P	72.2	Confident	63.9	Low	45 Å²	45	83.7 Å²	83.7	29%	0.292	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-58.2	126	-177.3	-29.7	38.5	0	0	0	113.3	V629 P693	P627-V629 PolarHBondContact O-N 2.82Å; P627-P693 WeakPolarHBondContact CG-O 3.16Å
628	T	57.6	Low	60.8	Low	126 Å²	126	89.6 Å²	89.6	77%	0.773	49%	0.491	S	S	*	.			trans	-80	106.3	175.4	37.2	0	0	0	0	110	I626 S630	I626-T628 PolarHBondContact O-N 3.35Å; T628-S630 PolarHBondContact O-N 3.27Å
629	V	48	Very low	57.6	Low	118 Å²	118	90.3 Å²	90.3	72%	0.715	51%	0.508	S	S	*	.			trans	-70.5	95.2	169.1	-176.1	0	0	0	0	108.9	P627 N631	P627-V629 PolarHBondContact O-N 2.82Å; V629-N631 PolarHBondContact O-N 2.93Å; V629-N631 PolarHBondContact O-ND2 3.16Å
630	S	34.3	Very low	54.4	Low	61 Å²	61	94.9 Å²	94.9	43%	0.427	54%	0.54	S	S	.	.			trans	-53.3	123.7	168.5	36.4	0	0	0	0	109.6	T628 D632 D633	T628-S630 PolarHBondContact O-N 3.27Å; S630-D632 PolarHBondContact O-N 3.33Å; S630-D633 PolarHBondContact OG-OD2 2.96Å
631	N	34.2	Very low	51.2	Low	140 Å²	140	102 Å²	102	75%	0.749	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	3.2	179.8	-81.6	-111.8	0	0	0	112.4	V629	V629-N631 PolarHBondContact O-N 2.93Å; V629-N631 PolarHBondContact O-ND2 3.16Å
632	D	33.7	Very low	48.3	Very low	139 Å²	139	107.7 Å²	107.7	74%	0.743	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	0.1	-170.1	-60.4	-67.7	0	0	0	113.9	S630 R634	S630-D632 PolarHBondContact O-N 3.33Å; D632-R634 PolarHBondContact O-N 3.07Å
633	D	35.9	Very low	45.4	Very low	141 Å²	141	112 Å²	112	75%	0.754	64%	0.636	S	S	*	*			trans	-70.4	40	165.2	-71.3	-58.1	0	0	0	113.1	S630	S630-D633 PolarHBondContact OG-OD2 2.96Å
634	R	27.2	Very low	42.2	Very low	206 Å²	206	117.8 Å²	117.8	78%	0.777	68%	0.677	S	S	*	*	S	Bend	trans	-82.6	133	152.2	-67.9	-174.9	177.1	-166.5	0.7	107	D632 S636	D632-R634 PolarHBondContact O-N 3.07Å; R634-S636 PolarHBondContact O-N 3.03Å
635	P	26.2	Very low	39.2	Very low	134 Å²	134	123 Å²	123	87%	0.87	71%	0.714	S	S	*	*			trans	-62.2	99.2	179.4	25.3	-33.9	0	0	0	110.3
636	S	29	Very low	36.2	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	74%	0.74	S	S	*	*			trans	-74.7	129.7	176.5	69.1	0	0	0	0	108.8	R634 K638	R634-S636 PolarHBondContact O-N 3.03Å; S636-K638 PolarHBondContact O-N 3.29Å
637	S	30.8	Very low	33.6	Very low	124 Å²	124	131 Å²	131	87%	0.867	76%	0.762	S	S	*	*	S	Bend	trans	-81	47.9	-164.6	64.3	0	0	0	0	113.4
638	K	28.7	Very low	31.3	Very low	189 Å²	189	135.5 Å²	135.5	82%	0.822	79%	0.789	S	S	*	*			trans	-145.3	54.8	-175.2	-71.2	-166.4	175.9	-176.1	0	113.7	S636	S636-K638 PolarHBondContact O-N 3.29Å
639	C	26.4	Very low	29.9	Very low	136 Å²	136	136 Å²	136	92%	0.919	79%	0.792	S	S	*	*			trans	-137.6	88	158.8	-91.4	0	0	0	0	109.1
640	S	26.3	Very low	28.8	Very low	101 Å²	101	135.3 Å²	135.3	71%	0.706	79%	0.791	S	S	*	*			trans	-97.6	133.3	172.6	53.2	0	0	0	0	110.1
641	N	28	Very low	28.4	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	81%	0.814	S	S	*	*			trans	65.7	78.9	162.3	-52.3	-10.3	0	0	0	117
642	E	31.1	Very low	28.2	Very low	205 Å²	205	135.3 Å²	135.3	96%	0.958	81%	0.812	S	S	*	*				-146.3	129.3	124	-120.3	174.2	-141.4	0	0	109.1
643	S	28	Very low	28	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	80%	0.797	S	S	*	*			trans	-154.1	106	-160.8	60.2	0	0	0	0	114.1
644	S	26.4	Very low	28.1	Very low	127 Å²	127	128.2 Å²	128.2	89%	0.888	78%	0.781	S	S	*	*	S	Bend	trans	-167.1	27.6	169	50.6	0	0	0	0	117.5
645	S	28	Very low	28.8	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	78%	0.776	S	S	*	*			trans	-155.8	19.1	177.6	58.5	0	0	0	0	119.6
646	L	26.3	Very low	29.7	Very low	182 Å²	182	119.3 Å²	119.3	95%	0.953	75%	0.745	S	S	*	*			trans	-113	91.3	171.3	-112.3	81.5	0	0	0	112.6
647	S	26.5	Very low	30.2	Very low	103 Å²	103	117.8 Å²	117.8	72%	0.72	73%	0.729	S	S	*	*			trans	-115.9	114.1	171.3	58.2	0	0	0	0	111.5
648	T	25	Very low	30.9	Very low	141 Å²	141	119.8 Å²	119.8	87%	0.865	72%	0.718	S	S	*	*			trans	55.1	68.4	152.3	-38.2	0	0	0	0	116.9
649	V	27.3	Very low	31.6	Very low	137 Å²	137	111.3 Å²	111.3	83%	0.83	68%	0.684	S	S	*	*			trans	-81.6	123	158.7	-180	0	0	0	0	108.8
650	S	25.6	Very low	32.7	Very low	102 Å²	102	107.8 Å²	107.8	71%	0.713	66%	0.656	S	S	*	*			trans	-67.6	154.7	-178.9	-170.9	0	0	0	0	112.6	G652	S650-G652 VanDerWaalsContact C-N 3.28Å; S650-G652 PolarHBondContact O-N 3.05Å
651	C	25.3	Very low	33.4	Very low	132 Å²	132	106.2 Å²	106.2	89%	0.892	65%	0.645	S	S	*	*	S	Bend	trans	-75.5	79.3	173.1	-163.9	0	0	0	0	110.5
652	G	29.8	Very low	34.3	Very low	69 Å²	69	102.1 Å²	102.1	71%	0.711	63%	0.625	S	S	*	*			trans	-156.6	12.4	179.9	0	0	0	0	0	114.9	S650	S650-G652 VanDerWaalsContact C-N 3.28Å; S650-G652 PolarHBondContact O-N 3.05Å
653	S	31.1	Very low	35	Very low	61 Å²	61	93 Å²	93	43%	0.427	58%	0.583	S	S	.	*			trans	-84.7	141.3	178.2	172.3	0	0	0	0	111	D657	S653-D657 WeakPolarHBondContact OG-CB 3.38Å; S653-D657 VanDerWaalsContact OG-CG 3.24Å; S653-D657 PolarHBondContact OG-OD2 2.79Å
654	T	36.4	Very low	35.7	Very low	70 Å²	70	92.1 Å²	92.1	43%	0.429	57%	0.569	S	S	.	*			trans	-79.9	167.1	-167.5	65	0	0	0	0	113.2	I656 D657 R658	T654-I656 PolarHBondContact O-N 3.2Å; T654-I656 PolarHBondContact OG1-N 3.22Å; T654-D657 PolarHBondContact N-OD2 2.82Å; T654-D657 PolarHBondContact O-N 2.58Å; T654-D657 VanDerWaalsContact OG1-CG 3.28Å; T654-D657 PolarHBondContact OG1-N 2.8Å; T654-D657 PolarHBondContact OG1-OD2 2.95Å; T654-R658 PolarHBondContact O-N 3.32Å
655	T	43.4	Very low	36.5	Very low	109 Å²	109	90 Å²	90	67%	0.669	56%	0.555	S	S	*	*	H	α-helix	trans	-58.7	-31.7	170.6	-44.6	0	0	0	0	111.9	R658 G659	T655-R658 PolarHBondContact O-N 3.47Å; T655-G659 PolarHBondContact O-N 2.81Å
656	I	44.1	Very low	37.1	Very low	44 Å²	44	88.7 Å²	88.7	23%	0.226	54%	0.544	C	S	.	.	H	α-helix	trans	-64.1	-48.5	178.6	-58.3	168.3	0	0	0	110.4	T654 R658 G659 L660 G681	T654-I656 PolarHBondContact O-N 3.2Å; T654-I656 PolarHBondContact OG1-N 3.22Å; I656-R658 VanDerWaalsContact C-N 3.26Å; I656-R658 PolarHBondContact O-N 3.37Å; I656-G659 PolarHBondContact O-N 2.84Å; I656-G659 VanDerWaalsContact O-N 3.16Å; I656-L660 HydrophobicContact CG2-CD1 3.88Å; I656-L660 PolarHBondContact O-N 3.12Å; I656-G681 WeakPolarHBondContact CD1-O 3.45Å; I656-G681 VanDerWaalsContact CG1-O 3.3Å; I656-G681 WeakPolarHBondContact CG1-O 3.45Å
657	D	40.7	Very low	37.9	Very low	71 Å²	71	81.9 Å²	81.9	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-58.6	-38.4	176.9	-57.8	-45.8	0	0	0	111.9	S653 T654 S661	S653-D657 WeakPolarHBondContact OG-CB 3.38Å; S653-D657 VanDerWaalsContact OG-CG 3.24Å; S653-D657 PolarHBondContact OG-OD2 2.79Å; T654-D657 PolarHBondContact N-OD2 2.82Å; T654-D657 PolarHBondContact O-N 2.58Å; T654-D657 VanDerWaalsContact OG1-CG 3.28Å; T654-D657 PolarHBondContact OG1-N 2.8Å; T654-D657 PolarHBondContact OG1-OD2 2.95Å; D657-S661 WeakPolarHBondContact O-CB 3.21Å; D657-S661 PolarHBondContact O-N 3.03Å; D657-S661 PolarHBondContact O-OG 2.83Å
658	R	44.8	Very low	38.7	Very low	166 Å²	166	85.3 Å²	85.3	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-70.6	-40.8	176.7	-72.8	-175.5	178	153.8	2.7	112.3	T654 T655 I656 S661 V662	T654-R658 PolarHBondContact O-N 3.32Å; T655-R658 PolarHBondContact O-N 3.47Å; I656-R658 VanDerWaalsContact C-N 3.26Å; I656-R658 PolarHBondContact O-N 3.37Å; R658-S661 WeakPolarHBondContact CA-OG 3.32Å; R658-S661 PolarHBondContact O-OG 3.2Å; R658-V662 WeakPolarHBondContact O-CB 3.39Å; R658-V662 VanDerWaalsContact O-CG2 3.31Å; R658-V662 WeakPolarHBondContact O-CG2 3.37Å; R658-V662 PolarHBondContact O-N 3.24Å
659	G	43.7	Very low	39.9	Very low	11 Å²	11	84.4 Å²	84.4	11%	0.113	51%	0.506	C	S	.	.	H	α-helix	trans	-56	-55.7	171.5	0	0	0	0	0	110.8	T655 I656 F663	T655-G659 PolarHBondContact O-N 2.81Å; I656-G659 PolarHBondContact O-N 2.84Å; I656-G659 VanDerWaalsContact O-N 3.16Å; G659-F663 VanDerWaalsContact O-CB 3.23Å; G659-F663 WeakPolarHBondContact O-CB 3.49Å; G659-F663 PolarHBondContact O-N 3.47Å
660	L	49.2	Very low	41.4	Very low	63 Å²	63	80.7 Å²	80.7	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-65.5	-37.4	-179.5	-76.6	164.8	0	0	0	113.9	I656 F663 N664	I656-L660 HydrophobicContact CG2-CD1 3.88Å; I656-L660 PolarHBondContact O-N 3.12Å; L660-F663 PolarHBondContact O-N 3.26Å; L660-N664 VanDerWaalsContact O-CB 3.26Å; L660-N664 WeakPolarHBondContact O-CB 3.37Å; L660-N664 PolarHBondContact O-N 3.08Å; L660-N664 PolarHBondContact O-ND2 3.2Å
661	S	41.5	Very low	43.2	Very low	68 Å²	68	76 Å²	76	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-71.6	-40.2	178.2	53.5	0	0	0	0	113	D657 R658 F663 S665	D657-S661 WeakPolarHBondContact O-CB 3.21Å; D657-S661 PolarHBondContact O-N 3.03Å; D657-S661 PolarHBondContact O-OG 2.83Å; R658-S661 WeakPolarHBondContact CA-OG 3.32Å; R658-S661 PolarHBondContact O-OG 3.2Å; S661-F663 VanDerWaalsContact C-N 3.31Å; S661-S665 PolarHBondContact O-N 3.1Å; S661-S665 VanDerWaalsContact O-N 3.08Å; S661-S665 PolarHBondContact O-OG 3.32Å
662	V	45.9	Very low	44.8	Very low	64 Å²	64	71.5 Å²	71.5	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-63	-42.8	170.5	172.2	0	0	0	0	109.8	R658 S665 C666 Y694	R658-V662 WeakPolarHBondContact O-CB 3.39Å; R658-V662 VanDerWaalsContact O-CG2 3.31Å; R658-V662 WeakPolarHBondContact O-CG2 3.37Å; R658-V662 PolarHBondContact O-N 3.24Å; V662-S665 PolarHBondContact O-N 3.49Å; V662-S665 PolarHBondContact O-OG 3.16Å; V662-C666 PolarHBondContact O-N 2.9Å; V662-C666 VanDerWaalsContact O-N 3.16Å; V662-Y694 HydrophobicContact CG1-CE1 4.45Å
663	F	45.4	Very low	46.5	Very low	15 Å²	15	74.7 Å²	74.7	7%	0.066	42%	0.424	C	S	.	.	H	α-helix	trans	-59.8	-52.1	177	-157.8	-104.9	0	0	0	112	G659 L660 S661 S665 C666 T667 L671 L675 P693	G659-F663 VanDerWaalsContact O-CB 3.23Å; G659-F663 WeakPolarHBondContact O-CB 3.49Å; G659-F663 PolarHBondContact O-N 3.47Å; L660-F663 PolarHBondContact O-N 3.26Å; S661-F663 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 3.36Å; F663-S665 VanDerWaalsContact O-N 3.13Å; F663-C666 PolarHBondContact O-N 2.73Å; F663-C666 VanDerWaalsContact O-N 3.07Å; F663-T667 WeakPolarHBondContact CD1-OG1 3.45Å; F663-T667 WeakPolarHBondContact CE1-OG1 3.5Å; F663-T667 HydrophobicContact CE2-CG2 4.01Å; F663-T667 HydrophobicContact CZ-CG2 3.93Å; F663-T667 WeakPolarHBondContact CZ-OG1 3.47Å; F663-T667 PolarHBondContact O-N 2.63Å; F663-T667 PolarHBondContact O-OG1 2.92Å; F663-L671 HydrophobicContact CE1-CB 3.82Å; F663-L671 HydrophobicContact CE1-CD2 4.19Å; F663-L671 HydrophobicContact CE1-CG 4.13Å; F663-L671 HydrophobicContact CE2-CD2 4.23Å; F663-L671 HydrophobicContact CZ-CB 3.75Å; F663-L671 HydrophobicContact CZ-CD2 3.46Å; F663-L671 VanDerWaalsContact CZ-CD2 3.46Å; F663-L671 HydrophobicContact CZ-CG 3.89Å; F663-L675 HydrophobicContact CD1-CD1 4.43Å; F663-L675 HydrophobicContact CE1-CD1 4.01Å; F663-L675 HydrophobicContact CZ-CD1 4.29Å; F663-P693 HydrophobicContact CD2-CB 3.85Å; F663-P693 HydrophobicContact CE2-CB 4.17Å
664	N	43.3	Very low	48.7	Very low	90 Å²	90	76 Å²	76	48%	0.481	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-22	176.9	-70.7	-23.5	0	0	0	113.7	L660	L660-N664 VanDerWaalsContact O-CB 3.26Å; L660-N664 WeakPolarHBondContact O-CB 3.37Å; L660-N664 PolarHBondContact O-N 3.08Å; L660-N664 PolarHBondContact O-ND2 3.2Å
665	S	42.4	Very low	51	Low	83 Å²	83	74 Å²	74	58%	0.58	41%	0.41	S	S	*	.	H	α-helix	trans	-81.1	-32.4	173.9	72.3	0	0	0	0	114	S661 V662 F663	S661-S665 PolarHBondContact O-N 3.1Å; S661-S665 VanDerWaalsContact O-N 3.08Å; S661-S665 PolarHBondContact O-OG 3.32Å; V662-S665 PolarHBondContact O-N 3.49Å; V662-S665 PolarHBondContact O-OG 3.16Å; F663-S665 PolarHBondContact O-N 3.36Å; F663-S665 VanDerWaalsContact O-N 3.13Å
666	C	41.8	Very low	53.1	Low	81 Å²	81	71.3 Å²	71.3	55%	0.547	40%	0.395	S	S	.	.	H	α-helix	trans	-98.6	-32.3	-176.4	-69.8	0	0	0	0	114.4	V662 F663	V662-C666 PolarHBondContact O-N 2.9Å; V662-C666 VanDerWaalsContact O-N 3.16Å; F663-C666 PolarHBondContact O-N 2.73Å; F663-C666 VanDerWaalsContact O-N 3.07Å
667	T	43.2	Very low	55.2	Low	39 Å²	39	72.8 Å²	72.8	24%	0.239	41%	0.41	C	S	.	.	S	Bend	trans	-119.3	86.8	-176.3	53.9	0	0	0	0	110.8	F663 T669	F663-T667 WeakPolarHBondContact CD1-OG1 3.45Å; F663-T667 WeakPolarHBondContact CE1-OG1 3.5Å; F663-T667 HydrophobicContact CE2-CG2 4.01Å; F663-T667 HydrophobicContact CZ-CG2 3.93Å; F663-T667 WeakPolarHBondContact CZ-OG1 3.47Å; F663-T667 PolarHBondContact O-N 2.63Å; F663-T667 PolarHBondContact O-OG1 2.92Å; T667-T669 PolarHBondContact O-N 2.9Å
668	K	42.2	Very low	57.5	Low	176 Å²	176	70 Å²	70	77%	0.765	40%	0.395	S	S	*	.			trans	-69.8	112.2	174.9	-75.1	180	178.6	173.2	0	110.8
669	T	50.8	Low	59.5	Low	121 Å²	121	67.9 Å²	67.9	74%	0.742	41%	0.412	S	S	*	.	S	Bend	trans	91.2	-7	149.2	67.6	0	0	0	0	123.3	T667	T667-T669 PolarHBondContact O-N 2.9Å
670	S	58.1	Low	61.7	Low	59 Å²	59	69.1 Å²	69.1	41%	0.413	42%	0.419	S	S	.	.	S	Bend	trans	-101.5	-74.9	168.8	72.7	0	0	0	0	113.7	T622 S672 N673	T622-S670 PolarHBondContact OG1-OG 3.42Å; S670-S672 PolarHBondContact O-N 3.38Å; S670-N673 PolarHBondContact O-N 2.98Å
671	L	64.3	Low	63.4	Low	4 Å²	4	67.5 Å²	67.5	2%	0.021	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-63.4	-21.2	-166.8	-166.6	63.1	0	0	0	113.9	T622 F623 F663 N673 Q674 L675 W691	T622-L671 HydrophobicContact CG2-CB 3.91Å; T622-L671 HydrophobicContact CG2-CD1 3.48Å; T622-L671 VanDerWaalsContact CG2-CD1 3.48Å; T622-L671 HydrophobicContact CG2-CG 4.21Å; F623-L671 HydrophobicContact CD1-CD1 3.98Å; F623-L671 HydrophobicContact CE1-CD1 3.34Å; F623-L671 HydrophobicContact CE2-CD1 4.45Å; F623-L671 HydrophobicContact CZ-CD1 3.62Å; F663-L671 HydrophobicContact CE1-CB 3.82Å; F663-L671 HydrophobicContact CE1-CD2 4.19Å; F663-L671 HydrophobicContact CE1-CG 4.13Å; F663-L671 HydrophobicContact CE2-CD2 4.23Å; F663-L671 HydrophobicContact CZ-CB 3.75Å; F663-L671 HydrophobicContact CZ-CD2 3.46Å; F663-L671 VanDerWaalsContact CZ-CD2 3.46Å; F663-L671 HydrophobicContact CZ-CG 3.89Å; L671-N673 PolarHBondContact O-N 3.44Å; L671-N673 VanDerWaalsContact O-N 3.11Å; L671-Q674 HydrophobicContact CD1-CB 4.08Å; L671-Q674 PolarHBondContact O-N 3.15Å; L671-L675 HydrophobicContact CD1-CD2 4.36Å; L671-L675 HydrophobicContact CD1-CG 4.18Å; L671-L675 HydrophobicContact CD2-CD1 3.97Å; L671-L675 HydrophobicContact CD2-CG 4.41Å; L671-L675 HydrophobicContact CG-CD1 3.76Å; L671-L675 HydrophobicContact CG-CD2 4.4Å; L671-L675 HydrophobicContact CG-CG 3.85Å; L671-L675 WeakPolarHBondContact O-CG 3.5Å; L671-L675 PolarHBondContact O-N 3.05Å; L671-W691 HydrophobicContact CD2-CD2 4.37Å; L671-W691 HydrophobicContact CD2-CH2 4.21Å; L671-W691 HydrophobicContact CD2-CZ2 3.48Å; L671-W691 VanDerWaalsContact CD2-CZ2 3.48Å
672	S	59.6	Low	65.7	Low	37 Å²	37	64.2 Å²	64.2	26%	0.259	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-57.8	-22.8	172.9	58.8	0	0	0	0	114	S670	S670-S672 PolarHBondContact O-N 3.38Å
673	N	63.7	Low	67.8	Low	136 Å²	136	61.9 Å²	61.9	73%	0.727	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-98.4	-5.1	-178.9	-57.9	-4.9	0	0	0	112.6	S670 L671	S670-N673 PolarHBondContact O-N 2.98Å; L671-N673 PolarHBondContact O-N 3.44Å; L671-N673 VanDerWaalsContact O-N 3.11Å
674	Q	77.3	Confident	70	Confident	88 Å²	88	61.2 Å²	61.2	41%	0.411	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	0.5	179.9	-69.7	-176.6	-19.6	0	0	112.7	L671 V685	L671-Q674 HydrophobicContact CD1-CB 4.08Å; L671-Q674 PolarHBondContact O-N 3.15Å; Q674-V685 WeakPolarHBondContact O-CA 3.22Å
675	L	86.1	Confident	72.2	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.152	36%	0.362	C	S	.	.			trans	-109.4	134	177.9	-67.2	175.4	0	0	0	111.3	F663 L671 V683 G684 V685 W691	F663-L675 HydrophobicContact CD1-CD1 4.43Å; F663-L675 HydrophobicContact CE1-CD1 4.01Å; F663-L675 HydrophobicContact CZ-CD1 4.29Å; L671-L675 HydrophobicContact CD1-CD2 4.36Å; L671-L675 HydrophobicContact CD1-CG 4.18Å; L671-L675 HydrophobicContact CD2-CD1 3.97Å; L671-L675 HydrophobicContact CD2-CG 4.41Å; L671-L675 HydrophobicContact CG-CD1 3.76Å; L671-L675 HydrophobicContact CG-CD2 4.4Å; L671-L675 HydrophobicContact CG-CG 3.85Å; L671-L675 WeakPolarHBondContact O-CG 3.5Å; L671-L675 PolarHBondContact O-N 3.05Å; L675-V683 HydrophobicContact CB-CG1 3.91Å; L675-V683 HydrophobicContact CD1-CG1 4.06Å; L675-V683 HydrophobicContact CD2-CG1 4.21Å; L675-V683 HydrophobicContact CG-CG1 4.28Å; L675-G684 CarbonylContact C-O 3.44Å; L675-G684 VanDerWaalsContact CA-O 3.27Å; L675-G684 WeakPolarHBondContact CA-O 3.33Å; L675-G684 WeakPolarHBondContact CD2-O 3.2Å; L675-V685 HydrophobicContact CD2-CG1 3.95Å; L675-W691 VanDerWaalsContact CD1-CD1 3.48Å; L675-W691 HydrophobicContact CD1-CG 4.22Å; L675-W691 HydrophobicContact CD2-CB 3.61Å; L675-W691 HydrophobicContact CD2-CD2 4.4Å; L675-W691 HydrophobicContact CD2-CG 3.64Å
676	C	87.1	Confident	74.5	Confident	52 Å²	52	56.1 Å²	56.1	35%	0.351	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	162.4	172.3	67.1	0	0	0	0	111.4	V683 G684 D686	C676-V683 WeakPolarHBondContact O-CA 3.49Å; C676-G684 PolarHBondContact N-O 3.39Å; C676-G684 PolarHBondContact O-N 3.31Å; C676-G684 VanDerWaalsContact O-N 3.09Å; C676-D686 PolarHBondContact SG-O 2.7Å
677	S	88.3	Confident	76.6	Confident	76 Å²	76	57.5 Å²	57.5	53%	0.531	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.4	169.7	-171.9	0	0	0	0	109.6	G682	S677-G682 PolarHBondContact OG-O 3.26Å
678	L	88.2	Confident	78.7	Confident	13 Å²	13	57.7 Å²	57.7	7%	0.068	35%	0.354	C	S	.	.			trans	-83.6	153.6	-177.2	-56.5	179.6	0	0	0	111.5	C680 G681 G682 V683 D686 V690	L678-C680 PolarHBondContact O-N 2.93Å; L678-C680 VanDerWaalsContact O-N 3.1Å; L678-G681 PolarHBondContact O-N 3.2Å; L678-G682 PolarHBondContact N-O 3.18Å; L678-V683 WeakPolarHBondContact CD1-O 3.39Å; L678-D686 WeakPolarHBondContact CD2-O 3.44Å; L678-V690 HydrophobicContact CD1-CB 4.39Å; L678-V690 HydrophobicContact CD1-CG1 3.78Å
679	A	87.5	Confident	81.1	Confident	120 Å²	120	49.3 Å²	49.3	99%	0.992	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.1	177.9	0	0	0	0	0	113.9	G681	A679-G681 VanDerWaalsContact C-N 3.26Å; A679-G681 PolarHBondContact O-N 3.46Å
680	C	88.7	Confident	83.1	Confident	38 Å²	38	44 Å²	44	26%	0.257	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.9	174	63.3	0	0	0	0	114.5	C511 C513 I521 H522 L678 G682	C511-C680 VanDerWaalsContact SG-SG 3.66Å; C513-C680 HydrophobicContact CB-CB 3.98Å; C513-C680 WeakPolarHBondContact CB-O 3.43Å; I521-C680 HydrophobicContact CG2-CB 4.21Å; H522-C680 VanDerWaalsContact CE1-SG 3.52Å; H522-C680 PolarHBondContact NE2-SG 3.41Å; L678-C680 PolarHBondContact O-N 2.93Å; L678-C680 VanDerWaalsContact O-N 3.1Å; C680-G682 VanDerWaalsContact C-N 3.34Å; C680-G682 PolarHBondContact SG-N 3.47Å
681	G	85.6	Confident	84.8	Confident	28 Å²	28	41.6 Å²	41.6	29%	0.289	27%	0.267	S	S	.	.	S	Bend	trans	80.2	13	-171.4	0	0	0	0	0	114.2	I656 L678 A679	I656-G681 WeakPolarHBondContact CD1-O 3.45Å; I656-G681 VanDerWaalsContact CG1-O 3.3Å; I656-G681 WeakPolarHBondContact CG1-O 3.45Å; L678-G681 PolarHBondContact O-N 3.2Å; A679-G681 VanDerWaalsContact C-N 3.26Å; A679-G681 PolarHBondContact O-N 3.46Å
682	G	89.1	Confident	86.1	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.269	C	S	.	.			trans	-83.7	-169.5	170.9	0	0	0	0	0	113.8	S677 L678 C680	S677-G682 PolarHBondContact OG-O 3.26Å; L678-G682 PolarHBondContact N-O 3.18Å; C680-G682 VanDerWaalsContact C-N 3.34Å; C680-G682 PolarHBondContact SG-N 3.47Å
683	V	90.8	Very high	87.4	Confident	15 Å²	15	40.7 Å²	40.7	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.3	170.5	-179.1	0	0	0	0	107.6	L675 C676 L678 W691	L675-V683 HydrophobicContact CB-CG1 3.91Å; L675-V683 HydrophobicContact CD1-CG1 4.06Å; L675-V683 HydrophobicContact CD2-CG1 4.21Å; L675-V683 HydrophobicContact CG-CG1 4.28Å; C676-V683 WeakPolarHBondContact O-CA 3.49Å; L678-V683 WeakPolarHBondContact CD1-O 3.39Å; V683-W691 PolarHBondContact O-N 3Å
684	G	91.8	Very high	88.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	177.8	178.7	0	0	0	0	0	111.2	L675 C676 T689	L675-G684 CarbonylContact C-O 3.44Å; L675-G684 VanDerWaalsContact CA-O 3.27Å; L675-G684 WeakPolarHBondContact CA-O 3.33Å; L675-G684 WeakPolarHBondContact CD2-O 3.2Å; C676-G684 PolarHBondContact N-O 3.39Å; C676-G684 PolarHBondContact O-N 3.31Å; C676-G684 VanDerWaalsContact O-N 3.09Å; G684-T689 CarbonylContact C-O 3.6Å; G684-T689 WeakPolarHBondContact CA-O 3.45Å
685	V	90.6	Very high	89.3	Confident	28 Å²	28	39 Å²	39	17%	0.17	24%	0.243	C	C	.	.	S	Bend	trans	-83	-39.4	173.2	-65.7	0	0	0	0	111.5	F623 Q674 L675 T689 A738 Y743	F623-V685 HydrophobicContact CE1-CG1 3.47Å; F623-V685 VanDerWaalsContact CE1-CG1 3.47Å; F623-V685 HydrophobicContact CZ-CG1 3.68Å; Q674-V685 WeakPolarHBondContact O-CA 3.22Å; L675-V685 HydrophobicContact CD2-CG1 3.95Å; V685-T689 HydrophobicContact CG2-CG2 3.5Å; V685-T689 PolarHBondContact N-O 3.42Å; V685-A738 HydrophobicContact CG1-CB 4.43Å; V685-A738 HydrophobicContact CG2-CB 3.94Å; V685-Y743 HydrophobicContact CG1-CE1 4.13Å
686	D	89.2	Confident	89.7	Confident	38 Å²	38	37.7 Å²	37.7	20%	0.203	24%	0.236	C	C	.	.	S	Bend	trans	-131.1	-160.8	174	58.2	33.7	0	0	0	109.4	C676 L678 D688 T689 M739	C676-D686 PolarHBondContact SG-O 2.7Å; L678-D686 WeakPolarHBondContact CD2-O 3.44Å; D686-D688 VanDerWaalsContact C-N 3.33Å; D686-D688 PolarHBondContact O-N 3.16Å; D686-D688 PolarHBondContact OD1-N 2.72Å; D686-T689 VanDerWaalsContact OD1-CB 3.32Å; D686-T689 WeakPolarHBondContact OD1-CB 3.43Å; D686-T689 PolarHBondContact OD1-N 3.24Å; D686-T689 PolarHBondContact OD1-OG1 2.69Å; D686-M739 WeakPolarHBondContact OD2-CA 3.46Å
687	S	86.6	Confident	90.1	Very high	111 Å²	111	35.4 Å²	35.4	78%	0.776	22%	0.221	S	C	*	.	S	Bend	trans	-70.1	-19.3	-179.6	42.8	0	0	0	0	115.8
688	D	88.1	Confident	90.3	Very high	42 Å²	42	35.3 Å²	35.3	23%	0.225	21%	0.209	C	C	.	.	S	Bend	trans	-119.1	-33	-172.1	62	67.3	0	0	0	113.8	D686 V690 G740 F741	D686-D688 VanDerWaalsContact C-N 3.33Å; D686-D688 PolarHBondContact O-N 3.16Å; D686-D688 PolarHBondContact OD1-N 2.72Å; D688-V690 PolarHBondContact O-N 2.89Å; D688-G740 WeakPolarHBondContact OD1-CA 3.5Å; D688-G740 PolarHBondContact OD1-N 2.86Å; D688-F741 HydrophobicContact CB-CD1 4.19Å; D688-F741 HydrophobicContact CB-CE1 3.73Å; D688-F741 HydrophobicContact CB-CZ 4.27Å; D688-F741 WeakPolarHBondContact O-CD1 3.24Å; D688-F741 PolarHBondContact OD1-N 2.8Å; D688-F741 VanDerWaalsContact OD1-N 3.07Å
689	T	92.2	Very high	90.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-88.5	92.2	-170	-62.2	0	0	0	0	111.1	G684 V685 D686 A738 G740 F741 Y743	G684-T689 CarbonylContact C-O 3.6Å; G684-T689 WeakPolarHBondContact CA-O 3.45Å; V685-T689 HydrophobicContact CG2-CG2 3.5Å; V685-T689 PolarHBondContact N-O 3.42Å; D686-T689 VanDerWaalsContact OD1-CB 3.32Å; D686-T689 WeakPolarHBondContact OD1-CB 3.43Å; D686-T689 PolarHBondContact OD1-N 3.24Å; D686-T689 PolarHBondContact OD1-OG1 2.69Å; T689-A738 HydrophobicContact CG2-CB 4.47Å; T689-G740 PolarHBondContact OG1-N 2.9Å; T689-F741 VanDerWaalsContact OG1-CA 3.31Å; T689-F741 WeakPolarHBondContact OG1-CA 3.32Å; T689-F741 PolarHBondContact OG1-N 2.71Å; T689-Y743 HydrophobicContact CG2-CD2 4.13Å; T689-Y743 HydrophobicContact CG2-CE1 4.05Å; T689-Y743 HydrophobicContact CG2-CE2 3.49Å; T689-Y743 VanDerWaalsContact CG2-CE2 3.49Å; T689-Y743 VanDerWaalsContact CG2-CZ 3.45Å; T689-Y743 PolarHBondContact O-OH 3.02Å
690	V	92.9	Very high	91.1	Very high	10 Å²	10	29.2 Å²	29.2	6%	0.061	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-75.6	126.2	-167.8	-57.1	0	0	0	0	115.1	H509 C511 L678 D688 T696 Y743	H509-V690 PolarHBondContact CE1-O 3.47Å; C511-V690 HydrophobicContact CB-CB 4.35Å; C511-V690 HydrophobicContact CB-CG1 4.25Å; L678-V690 HydrophobicContact CD1-CB 4.39Å; L678-V690 HydrophobicContact CD1-CG1 3.78Å; D688-V690 PolarHBondContact O-N 2.89Å; V690-T696 PolarHBondContact O-OG1 3.25Å; V690-Y743 VanDerWaalsContact C-OH 3.22Å; V690-Y743 PolarHBondContact O-OH 3.3Å; V690-Y743 VanDerWaalsContact O-OH 3.11Å
691	W	93.5	Very high	91.5	Very high	8 Å²	8	29 Å²	29	3%	0.03	15%	0.154	C	C	.	.			trans	-103	110.6	179.9	-174.2	-109.1	0	0	0	112.6	F623 L671 L675 V683 P693 T696 A697 Y743	F623-W691 HydrophobicContact CD1-CE3 4.26Å; F623-W691 HydrophobicContact CD1-CH2 4.12Å; F623-W691 AromaticContact CD1-CZ3 3.75Å; F623-W691 HydrophobicContact CD1-CZ3 3.75Å; L671-W691 HydrophobicContact CD2-CD2 4.37Å; L671-W691 HydrophobicContact CD2-CH2 4.21Å; L671-W691 HydrophobicContact CD2-CZ2 3.48Å; L671-W691 VanDerWaalsContact CD2-CZ2 3.48Å; L675-W691 VanDerWaalsContact CD1-CD1 3.48Å; L675-W691 HydrophobicContact CD1-CG 4.22Å; L675-W691 HydrophobicContact CD2-CB 3.61Å; L675-W691 HydrophobicContact CD2-CD2 4.4Å; L675-W691 HydrophobicContact CD2-CG 3.64Å; V683-W691 PolarHBondContact O-N 3Å; W691-P693 WeakPolarHBondContact O-CD 3.48Å; W691-T696 HydrophobicContact CE3-CG2 3.48Å; W691-T696 VanDerWaalsContact CE3-CG2 3.48Å; W691-T696 HydrophobicContact CZ3-CG2 3.5Å; W691-A697 HydrophobicContact CH2-CB 3.93Å; W691-Y743 HydrophobicContact CE3-CD1 4.35Å; W691-Y743 AromaticContact CE3-CE1 3.57Å; W691-Y743 HydrophobicContact CE3-CE1 3.57Å; W691-Y743 AromaticContact CE3-CZ 3.7Å; W691-Y743 HydrophobicContact CZ3-CD1 4.18Å; W691-Y743 AromaticContact CZ3-CE1 3.85Å; W691-Y743 HydrophobicContact CZ3-CE1 3.85Å; W691-Y743 PolarHBondContact N-OH 3.35Å
692	N	92.1	Very high	91.9	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	14%	0.141	C	C	.	.			trans	-96	106.5	165.5	-169.4	-51.3	0	0	0	109	K510 L512 Y694 K695 T696	K510-N692 WeakPolarHBondContact O-CB 3.33Å; K510-N692 PolarHBondContact O-ND2 2.96Å; L512-N692 WeakPolarHBondContact CD2-ND2 3.28Å; N692-Y694 PolarHBondContact O-N 2.87Å; N692-Y694 PolarHBondContact OD1-N 3.16Å; N692-Y694 VanDerWaalsContact OD1-N 3.16Å; N692-K695 HydrophobicContact CB-CB 4.15Å; N692-K695 PolarHBondContact O-N 3.2Å; N692-K695 PolarHBondContact OD1-N 3.45Å; N692-T696 PolarHBondContact N-OG1 2.8Å; N692-T696 PolarHBondContact O-N 3.21Å
693	P	86.5	Confident	92.3	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.071	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.8	-173.1	26.5	-35.1	0	0	0	113.5	L512 P627 F663 W691	L512-P693 HydrophobicContact CD1-CG 4.36Å; P627-P693 WeakPolarHBondContact CG-O 3.16Å; F663-P693 HydrophobicContact CD2-CB 3.85Å; F663-P693 HydrophobicContact CE2-CB 4.17Å; W691-P693 WeakPolarHBondContact O-CD 3.48Å
694	Y	88.2	Confident	92.6	Very high	116 Å²	116	27.2 Å²	27.2	46%	0.455	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-13.8	178.4	-50.4	-66.9	0	0	0	113.4	V662 N692	V662-Y694 HydrophobicContact CG1-CE1 4.45Å; N692-Y694 PolarHBondContact O-N 2.87Å; N692-Y694 PolarHBondContact OD1-N 3.16Å; N692-Y694 VanDerWaalsContact OD1-N 3.16Å
695	K	92.9	Very high	92.8	Very high	73 Å²	73	27.2 Å²	27.2	32%	0.317	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-38.6	-164.4	-57.5	-66	179.9	143.2	0	115.9	E508 N692 A697 R698 A699	E508-K695 HydrophobicContact CB-CB 4.27Å; E508-K695 HydrophobicContact CB-CD 3.75Å; E508-K695 HydrophobicContact CB-CG 3.98Å; E508-K695 HydrophobicContact CG-CD 4.49Å; E508-K695 WeakPolarHBondContact O-CB 3.49Å; E508-K695 WeakPolarHBondContact O-CG 3.47Å; E508-K695 WeakPolarHBondContact OE2-CE 3.41Å; E508-K695 IonicContact OE2-NZ 3.92Å; E508-K695 PolarHBondContact OE2-NZ 3.02Å; N692-K695 HydrophobicContact CB-CB 4.15Å; N692-K695 PolarHBondContact O-N 3.2Å; N692-K695 PolarHBondContact OD1-N 3.45Å; K695-A697 PolarHBondContact O-N 2.73Å; K695-R698 WeakPolarHBondContact O-CB 3.3Å; K695-R698 PolarHBondContact O-N 2.94Å; K695-A699 PolarHBondContact O-N 2.88Å
696	T	94.7	Very high	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-48.6	-172.1	-63.5	0	0	0	0	112.1	H509 V690 W691 N692 R698 A699 A700 Y743	H509-T696 PolarHBondContact CE1-OG1 3.17Å; H509-T696 PolarHBondContact ND1-OG1 3.07Å; V690-T696 PolarHBondContact O-OG1 3.25Å; W691-T696 HydrophobicContact CE3-CG2 3.48Å; W691-T696 VanDerWaalsContact CE3-CG2 3.48Å; W691-T696 HydrophobicContact CZ3-CG2 3.5Å; N692-T696 PolarHBondContact N-OG1 2.8Å; N692-T696 PolarHBondContact O-N 3.21Å; T696-R698 PolarHBondContact O-N 3.25Å; T696-R698 VanDerWaalsContact O-N 3.09Å; T696-A699 PolarHBondContact O-N 3.14Å; T696-A700 WeakPolarHBondContact O-CB 3.38Å; T696-A700 PolarHBondContact O-N 3.12Å; T696-Y743 HydrophobicContact CG2-CD1 4.42Å; T696-Y743 HydrophobicContact CG2-CD2 3.62Å; T696-Y743 HydrophobicContact CG2-CE1 4.27Å; T696-Y743 HydrophobicContact CG2-CE2 3.41Å; T696-Y743 VanDerWaalsContact CG2-CE2 3.41Å; T696-Y743 HydrophobicContact CG2-CG 4.11Å
697	A	94.2	Very high	93.3	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.033	12%	0.12	C	C	.	.	H	α-helix	trans	-54.6	-31	176.8	0	0	0	0	0	113.7	F623 T625 I626 W691 K695 R701	F623-A697 WeakPolarHBondContact O-CA 3.37Å; F623-A697 VanDerWaalsContact O-CB 3.28Å; F623-A697 WeakPolarHBondContact O-CB 3.19Å; T625-A697 WeakPolarHBondContact O-CB 3.35Å; I626-A697 HydrophobicContact CG1-CB 4.26Å; W691-A697 HydrophobicContact CH2-CB 3.93Å; K695-A697 PolarHBondContact O-N 2.73Å; A697-R701 WeakPolarHBondContact O-CB 3.08Å; A697-R701 VanDerWaalsContact O-CD 3.31Å; A697-R701 WeakPolarHBondContact O-CD 3.48Å; A697-R701 WeakPolarHBondContact O-CG 3.4Å
698	R	93.6	Very high	93.8	Very high	75 Å²	75	19 Å²	19	28%	0.283	8%	0.084	S	C	.	.	H	α-helix	trans	-81.2	-47	178.2	-176.3	168.9	177.9	79.2	2	111.5	E505 M605 I626 K695 T696 R701 L702	E505-R698 IonicContact OE1-CZ 3.94Å; E505-R698 IonicContact OE1-NE 3.49Å; E505-R698 IonicContact OE1-NH2 3.87Å; E505-R698 PolarHBondContact OE1-NH2 3.41Å; E505-R698 IonicContact OE2-CZ 3.6Å; E505-R698 IonicContact OE2-NE 2.8Å; E505-R698 PolarHBondContact OE2-NE 2.76Å; E505-R698 IonicContact OE2-NH2 3.66Å; E505-R698 PolarHBondContact OE2-NH2 2.73Å; M605-R698 HydrophobicContact SD-CG 4.03Å; M605-R698 PolarHBondContact SD-NH1 3.1Å; I626-R698 HydrophobicContact CD1-CB 4.1Å; I626-R698 HydrophobicContact CD1-CG 4.31Å; I626-R698 HydrophobicContact CG1-CB 4.44Å; K695-R698 WeakPolarHBondContact O-CB 3.3Å; K695-R698 PolarHBondContact O-N 2.94Å; T696-R698 PolarHBondContact O-N 3.25Å; T696-R698 VanDerWaalsContact O-N 3.09Å; R698-R701 PolarHBondContact O-N 3.04Å; R698-L702 HydrophobicContact CG-CD1 4.37Å; R698-L702 WeakPolarHBondContact O-CG 3.48Å; R698-L702 PolarHBondContact O-N 2.86Å
699	A	94.8	Very high	94.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-48.8	178.5	0	0	0	0	0	112.4	M506 H509 K695 T696 R701 L702 A703	M506-A699 HydrophobicContact CG-CB 4.48Å; H509-A699 HydrophobicContact CB-CB 3.56Å; K695-A699 PolarHBondContact O-N 2.88Å; T696-A699 PolarHBondContact O-N 3.14Å; A699-R701 PolarHBondContact O-N 3.44Å; A699-L702 WeakPolarHBondContact O-CA 3.43Å; A699-L702 WeakPolarHBondContact O-CB 3.24Å; A699-L702 PolarHBondContact O-N 3.44Å; A699-A703 PolarHBondContact O-N 3.45Å
700	A	96.8	Very high	94.3	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.033	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-35.6	178	0	0	0	0	0	112	T696 A703 V704 P728 F744	T696-A700 WeakPolarHBondContact O-CB 3.38Å; T696-A700 PolarHBondContact O-N 3.12Å; A700-A703 PolarHBondContact O-N 3.4Å; A700-V704 WeakPolarHBondContact O-CG2 3.48Å; A700-V704 PolarHBondContact O-N 2.85Å; A700-P728 HydrophobicContact CB-CG 3.78Å; A700-F744 HydrophobicContact CB-CD2 3.78Å; A700-F744 HydrophobicContact CB-CE2 4.22Å
701	R	96.6	Very high	94.5	Very high	33 Å²	33	17.6 Å²	17.6	13%	0.125	8%	0.078	C	C	.	.	H	α-helix	trans	-74	-28.8	174	-72.2	-179.8	59.1	-173.7	-1.6	113.6	M605 A606 M608 L611 G624 A697 R698 A699 G705 F744	M605-R701 CarbonylContact C-O 3.55Å; M605-R701 WeakPolarHBondContact CA-O 3.44Å; M605-R701 HydrophobicContact CB-CB 4.17Å; M605-R701 HydrophobicContact CG-CB 4.29Å; A606-R701 PolarHBondContact N-O 3.05Å; A606-R701 PolarHBondContact O-NE 3.49Å; A606-R701 PolarHBondContact O-NH2 2.97Å; M608-R701 PolarHBondContact SD-NH1 3.47Å; L611-R701 HydrophobicContact CD1-CG 3.95Å; G624-R701 WeakPolarHBondContact O-CD 3.37Å; G624-R701 PolarHBondContact O-NH1 3.3Å; A697-R701 WeakPolarHBondContact O-CB 3.08Å; A697-R701 VanDerWaalsContact O-CD 3.31Å; A697-R701 WeakPolarHBondContact O-CD 3.48Å; A697-R701 WeakPolarHBondContact O-CG 3.4Å; R698-R701 PolarHBondContact O-N 3.04Å; A699-R701 PolarHBondContact O-N 3.44Å; R701-G705 PolarHBondContact O-N 3.38Å; R701-F744 HydrophobicContact CG-CD2 4.45Å; R701-F744 HydrophobicContact CG-CE2 4.04Å
702	L	94.6	Very high	94.6	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-67.7	-47.9	169	-73.4	167.1	0	0	0	110.4	D503 E505 M506 M605 R698 A699 V704 G705 Q706	D503-L702 HydrophobicContact CB-CD1 4.35Å; E505-L702 HydrophobicContact CB-CD1 3.66Å; M506-L702 HydrophobicContact CG-CB 3.85Å; M506-L702 HydrophobicContact CG-CD1 4.35Å; M506-L702 HydrophobicContact SD-CB 4.19Å; M605-L702 HydrophobicContact CG-CD2 3.64Å; M605-L702 HydrophobicContact CG-CG 3.83Å; R698-L702 HydrophobicContact CG-CD1 4.37Å; R698-L702 WeakPolarHBondContact O-CG 3.48Å; R698-L702 PolarHBondContact O-N 2.86Å; A699-L702 WeakPolarHBondContact O-CA 3.43Å; A699-L702 WeakPolarHBondContact O-CB 3.24Å; A699-L702 PolarHBondContact O-N 3.44Å; L702-V704 PolarHBondContact O-N 2.97Å; L702-G705 PolarHBondContact O-N 3.2Å; L702-Q706 WeakPolarHBondContact O-CB 3.5Å; L702-Q706 WeakPolarHBondContact O-CG 3.28Å; L702-Q706 PolarHBondContact O-N 3Å
703	A	97	Very high	94.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-52.1	-54.1	178.4	0	0	0	0	0	112.3	M506 A699 A700 G705 Q706 V707 V726	M506-A703 HydrophobicContact SD-CB 4.03Å; A699-A703 PolarHBondContact O-N 3.45Å; A700-A703 PolarHBondContact O-N 3.4Å; A703-G705 VanDerWaalsContact C-N 3.32Å; A703-G705 PolarHBondContact O-N 2.73Å; A703-Q706 PolarHBondContact O-N 2.89Å; A703-V707 WeakPolarHBondContact O-CG2 3.36Å; A703-V707 PolarHBondContact O-N 2.88Å; A703-V707 VanDerWaalsContact O-N 3.11Å; A703-V726 HydrophobicContact CB-CB 3.96Å; A703-V726 HydrophobicContact CB-CG1 4.47Å
704	V	97.9	Very high	95	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-44.5	176.1	178.4	0	0	0	0	111.6	A606 L611 A700 L702 V707 L708 F744 S746 I749	A606-V704 HydrophobicContact CB-CB 3.94Å; A606-V704 HydrophobicContact CB-CG1 3.75Å; L611-V704 HydrophobicContact CD2-CB 4.29Å; L611-V704 HydrophobicContact CD2-CG1 4.14Å; L611-V704 HydrophobicContact CD2-CG2 4.05Å; A700-V704 WeakPolarHBondContact O-CG2 3.48Å; A700-V704 PolarHBondContact O-N 2.85Å; L702-V704 PolarHBondContact O-N 2.97Å; V704-V707 PolarHBondContact O-N 2.82Å; V704-L708 WeakPolarHBondContact O-CB 3.43Å; V704-L708 PolarHBondContact O-N 3.33Å; V704-F744 HydrophobicContact CG2-CB 3.43Å; V704-F744 VanDerWaalsContact CG2-CB 3.43Å; V704-F744 HydrophobicContact CG2-CG 4.34Å; V704-S746 WeakPolarHBondContact CA-OG 3.21Å; V704-S746 WeakPolarHBondContact CG2-OG 3.38Å; V704-S746 PolarHBondContact N-OG 3.11Å; V704-I749 HydrophobicContact CG1-CB 4.12Å; V704-I749 HydrophobicContact CG1-CD1 3.7Å; V704-I749 HydrophobicContact CG1-CG2 3.76Å; V704-I749 HydrophobicContact CG2-CD1 4.05Å
705	G	95.6	Very high	95.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.3	-34.7	-177.3	0	0	0	0	0	113.7	R604 R701 L702 A703 C709	R604-G705 CarbonylContact O-C 3.52Å; R604-G705 VanDerWaalsContact O-CA 3.31Å; R604-G705 WeakPolarHBondContact O-CA 3.47Å; R701-G705 PolarHBondContact O-N 3.38Å; L702-G705 PolarHBondContact O-N 3.2Å; A703-G705 VanDerWaalsContact C-N 3.32Å; A703-G705 PolarHBondContact O-N 2.73Å; G705-C709 WeakPolarHBondContact O-CB 3.32Å; G705-C709 PolarHBondContact O-N 3.18Å; G705-C709 PolarHBondContact O-SG 2.86Å
706	Q	93.6	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.9	-49.2	173.6	-67.3	-80.4	-7.7	0	0	110.9	A501 F502 A603 L702 A703 L710 V726	A501-Q706 HydrophobicContact CB-CB 4.42Å; F502-Q706 VanDerWaalsContact O-CD 3.28Å; F502-Q706 PolarHBondContact O-NE2 3.23Å; F502-Q706 PolarHBondContact O-OE1 3.37Å; A603-Q706 HydrophobicContact CB-CB 4.29Å; A603-Q706 HydrophobicContact CB-CG 3.96Å; L702-Q706 WeakPolarHBondContact O-CB 3.5Å; L702-Q706 WeakPolarHBondContact O-CG 3.28Å; L702-Q706 PolarHBondContact O-N 3Å; A703-Q706 PolarHBondContact O-N 2.89Å; Q706-L710 VanDerWaalsContact O-CB 3.27Å; Q706-L710 WeakPolarHBondContact O-CB 3.23Å; Q706-L710 PolarHBondContact O-N 3.5Å; Q706-V726 HydrophobicContact CB-CG1 3.71Å; Q706-V726 HydrophobicContact CG-CG1 4.34Å
707	V	97.8	Very high	95.2	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-48.1	177.1	179.3	0	0	0	0	111.5	A703 V704 L710 A711 A724 V726 V747 A750 A1148	A703-V707 WeakPolarHBondContact O-CG2 3.36Å; A703-V707 PolarHBondContact O-N 2.88Å; A703-V707 VanDerWaalsContact O-N 3.11Å; V704-V707 PolarHBondContact O-N 2.82Å; V707-L710 PolarHBondContact O-N 2.94Å; V707-A711 WeakPolarHBondContact O-CB 3.26Å; V707-A711 PolarHBondContact O-N 3.46Å; V707-A724 HydrophobicContact CG2-CB 3.83Å; V707-V726 HydrophobicContact CG2-CG1 4.35Å; V707-V726 HydrophobicContact CG2-CG2 4.06Å; V707-V747 HydrophobicContact CG1-CG2 4.36Å; V707-A750 HydrophobicContact CG1-CB 3.99Å; V707-A1148 HydrophobicContact CG1-CB 4.12Å; V707-A1148 HydrophobicContact CG2-CB 3.66Å
708	L	96.8	Very high	94.9	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-50.1	179.4	-174.2	168	0	0	0	111.3	E610 V704 A711 Y712 I749	E610-L708 HydrophobicContact CB-CD1 4.1Å; E610-L708 HydrophobicContact CG-CD1 4.14Å; V704-L708 WeakPolarHBondContact O-CB 3.43Å; V704-L708 PolarHBondContact O-N 3.33Å; L708-A711 PolarHBondContact O-N 2.98Å; L708-Y712 WeakPolarHBondContact O-CB 3.35Å; L708-Y712 PolarHBondContact O-N 2.91Å; L708-I749 HydrophobicContact CD1-CG2 4.13Å
709	C	94.5	Very high	94.7	Very high	22 Å²	22	16.4 Å²	16.4	15%	0.149	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-44.8	178.9	-77.7	0	0	0	0	111.8	A603 G705 Y712 Q713	A603-C709 HydrophobicContact CB-CB 3.95Å; G705-C709 WeakPolarHBondContact O-CB 3.32Å; G705-C709 PolarHBondContact O-N 3.18Å; G705-C709 PolarHBondContact O-SG 2.86Å; C709-Y712 PolarHBondContact O-N 2.98Å; C709-Q713 VanDerWaalsContact O-CG 3.31Å; C709-Q713 WeakPolarHBondContact O-CG 3.48Å; C709-Q713 PolarHBondContact O-N 3.38Å
710	L	94.8	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63	-45.2	178.9	-178.9	58.1	0	0	0	111.9	A499 A501 Q706 V707 Y712 Q713 V714 F719 A724 V1146	A499-L710 HydrophobicContact CB-CD1 3.62Å; A501-L710 HydrophobicContact CB-CB 4.39Å; A501-L710 HydrophobicContact CB-CD2 3.94Å; Q706-L710 VanDerWaalsContact O-CB 3.27Å; Q706-L710 WeakPolarHBondContact O-CB 3.23Å; Q706-L710 PolarHBondContact O-N 3.5Å; V707-L710 PolarHBondContact O-N 2.94Å; L710-Y712 VanDerWaalsContact C-N 3.33Å; L710-Y712 PolarHBondContact O-N 3.21Å; L710-Q713 PolarHBondContact O-N 3.29Å; L710-V714 HydrophobicContact CD1-CG2 4.25Å; L710-V714 PolarHBondContact O-N 2.94Å; L710-F719 HydrophobicContact CD1-CD2 4.34Å; L710-A724 HydrophobicContact CD2-CB 4.12Å; L710-V1146 HydrophobicContact CB-CG1 4.48Å; L710-V1146 HydrophobicContact CD2-CG1 3.73Å; L710-V1146 HydrophobicContact CG-CG1 3.91Å; L710-V1146 HydrophobicContact CG-CG2 4Å
711	A	97.3	Very high	94.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.8	-40.9	175.8	0	0	0	0	0	112.2	V707 L708 A715 A750 L754 L1105	V707-A711 WeakPolarHBondContact O-CB 3.26Å; V707-A711 PolarHBondContact O-N 3.46Å; L708-A711 PolarHBondContact O-N 2.98Å; A711-A715 WeakPolarHBondContact O-CB 3.43Å; A711-A715 PolarHBondContact O-N 2.91Å; A711-A750 HydrophobicContact CB-CB 4.1Å; A711-L754 HydrophobicContact CB-CD1 4.06Å; A711-L1105 HydrophobicContact CB-CD2 3.93Å
712	Y	95.7	Very high	94.5	Very high	44 Å²	44	15.8 Å²	15.8	17%	0.173	7%	0.071	C	C	.	.	H	α-helix	trans	-61.6	-46.6	174.3	-172.6	-85.1	0	0	0	112.5	M483 L708 C709 L710 A715 K716 L754 I759	M483-Y712 HydrophobicContact CE-CE2 4.38Å; M483-Y712 WeakPolarHBondContact CE-OH 3.37Å; L708-Y712 WeakPolarHBondContact O-CB 3.35Å; L708-Y712 PolarHBondContact O-N 2.91Å; C709-Y712 PolarHBondContact O-N 2.98Å; L710-Y712 VanDerWaalsContact C-N 3.33Å; L710-Y712 PolarHBondContact O-N 3.21Å; Y712-A715 PolarHBondContact O-N 3.45Å; Y712-K716 HydrophobicContact CD1-CG 4.05Å; Y712-K716 HydrophobicContact CE1-CG 3.66Å; Y712-K716 WeakPolarHBondContact O-CB 3.16Å; Y712-K716 WeakPolarHBondContact O-CG 3.28Å; Y712-K716 PolarHBondContact O-N 2.92Å; Y712-K716 VanDerWaalsContact OH-CE 3.22Å; Y712-K716 WeakPolarHBondContact OH-CE 3.32Å; Y712-L754 HydrophobicContact CD2-CD2 4.25Å; Y712-I759 HydrophobicContact CD2-CD1 4.44Å; Y712-I759 HydrophobicContact CD2-CG1 4.21Å; Y712-I759 HydrophobicContact CE2-CD1 3.65Å; Y712-I759 HydrophobicContact CE2-CG1 3.91Å
713	Q	93.1	Very high	94.6	Very high	17 Å²	17	15.6 Å²	15.6	8%	0.079	7%	0.07	C	C	.	.	H	α-helix	trans	-69.5	-35.8	-178.7	-59.5	-64.3	32.5	0	0	112.9	C709 L710 R717 H718 F719	C709-Q713 VanDerWaalsContact O-CG 3.31Å; C709-Q713 WeakPolarHBondContact O-CG 3.48Å; C709-Q713 PolarHBondContact O-N 3.38Å; L710-Q713 PolarHBondContact O-N 3.29Å; Q713-R717 PolarHBondContact O-N 3.31Å; Q713-H718 HydrophobicContact CB-CB 4.28Å; Q713-H718 PolarHBondContact O-N 3.32Å; Q713-H718 PolarHBondContact OE1-ND1 2.67Å; Q713-F719 HydrophobicContact CB-CD2 3.56Å; Q713-F719 HydrophobicContact CB-CE2 3.88Å; Q713-F719 HydrophobicContact CG-CD2 4.33Å; Q713-F719 HydrophobicContact CG-CE2 4.14Å; Q713-F719 PolarHBondContact O-N 3.45Å
714	V	95.2	Very high	94.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70	-41.8	173.7	171.2	0	0	0	0	111.2	L710 K716 R717 F719 I1103 R1144 V1146	L710-V714 HydrophobicContact CD1-CG2 4.25Å; L710-V714 PolarHBondContact O-N 2.94Å; V714-K716 VanDerWaalsContact C-N 3.34Å; V714-K716 PolarHBondContact O-N 3.38Å; V714-R717 PolarHBondContact O-N 2.79Å; V714-R717 VanDerWaalsContact O-N 3.1Å; V714-F719 HydrophobicContact CG2-CB 3.98Å; V714-I1103 HydrophobicContact CB-CD1 4.41Å; V714-I1103 HydrophobicContact CG1-CD1 4.09Å; V714-R1144 HydrophobicContact CG1-CB 4Å; V714-R1144 HydrophobicContact CG1-CG 4.19Å; V714-V1146 HydrophobicContact CB-CG2 3.82Å; V714-V1146 HydrophobicContact CG1-CG2 4.11Å; V714-V1146 HydrophobicContact CG2-CG2 3.67Å
715	A	95.9	Very high	94.6	Very high	10 Å²	10	15.5 Å²	15.5	8%	0.083	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-41.5	174.5	0	0	0	0	0	112.1	A711 Y712 R717 L754 I759 V760 I1103	A711-A715 WeakPolarHBondContact O-CB 3.43Å; A711-A715 PolarHBondContact O-N 2.91Å; Y712-A715 PolarHBondContact O-N 3.45Å; A715-R717 PolarHBondContact O-N 2.8Å; A715-L754 HydrophobicContact CB-CD1 4.14Å; A715-L754 HydrophobicContact CB-CD2 3.92Å; A715-I759 HydrophobicContact CB-CG2 3.8Å; A715-V760 HydrophobicContact CB-CG1 3.98Å; A715-I1103 HydrophobicContact CB-CD1 4.06Å
716	K	92.8	Very high	94.6	Very high	87 Å²	87	15.7 Å²	15.7	38%	0.378	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1.4	174.6	-71.1	-61.4	-168.2	-169.4	0	115.1	Y712 V714 H718 I759	Y712-K716 HydrophobicContact CD1-CG 4.05Å; Y712-K716 HydrophobicContact CE1-CG 3.66Å; Y712-K716 WeakPolarHBondContact O-CB 3.16Å; Y712-K716 WeakPolarHBondContact O-CG 3.28Å; Y712-K716 PolarHBondContact O-N 2.92Å; Y712-K716 VanDerWaalsContact OH-CE 3.22Å; Y712-K716 WeakPolarHBondContact OH-CE 3.32Å; V714-K716 VanDerWaalsContact C-N 3.34Å; V714-K716 PolarHBondContact O-N 3.38Å; K716-H718 PolarHBondContact O-N 3Å; K716-I759 HydrophobicContact CD-CG2 3.94Å; K716-I759 HydrophobicContact CG-CG2 4.16Å
717	R	91.4	Very high	94.7	Very high	62 Å²	62	15.7 Å²	15.7	23%	0.234	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	27.3	-176.6	-66.9	-72.2	-165	-171.9	-2.3	114.4	L496 Q713 V714 A715 N1142 R1144	L496-R717 HydrophobicContact CD1-CB 4.25Å; L496-R717 WeakPolarHBondContact CD1-O 3.31Å; L496-R717 WeakPolarHBondContact CD2-O 3.39Å; Q713-R717 PolarHBondContact O-N 3.31Å; V714-R717 PolarHBondContact O-N 2.79Å; V714-R717 VanDerWaalsContact O-N 3.1Å; A715-R717 PolarHBondContact O-N 2.8Å; R717-N1142 VanDerWaalsContact CZ-O 3.27Å; R717-N1142 PolarHBondContact NH1-O 2.85Å; R717-N1142 PolarHBondContact NH2-O 2.95Å; R717-R1144 VanDerWaalsContact CZ-CG 3.46Å
718	H	86.9	Confident	94.7	Very high	46 Å²	46	15.7 Å²	15.7	21%	0.213	7%	0.071	C	C	.	.	S	Bend	trans	-79.6	-27.2	167.9	-60.9	154	0	0	0	111.9	Y488 Q713 K716	Y488-H718 AromaticContact CD2-NE2 3.45Å; Y488-H718 WeakPolarHBondContact CD2-NE2 3.37Å; Q713-H718 HydrophobicContact CB-CB 4.28Å; Q713-H718 PolarHBondContact O-N 3.32Å; Q713-H718 PolarHBondContact OE1-ND1 2.67Å; K716-H718 PolarHBondContact O-N 3Å
719	F	88.9	Confident	94.8	Very high	7 Å²	7	15.7 Å²	15.7	3%	0.031	7%	0.071	C	C	.	.	S	Bend	trans	-122.4	160.3	165.8	-61.6	-54.8	0	0	0	110.3	W474 V497 A499 R599 V601 L710 Q713 V714	W474-F719 HydrophobicContact CZ2-CZ 4.21Å; V497-F719 HydrophobicContact CG2-CD1 4.07Å; V497-F719 HydrophobicContact CG2-CE1 4.37Å; A499-F719 HydrophobicContact CB-CB 4.12Å; A499-F719 HydrophobicContact CB-CD1 3.94Å; A499-F719 HydrophobicContact CB-CD2 3.56Å; A499-F719 HydrophobicContact CB-CE1 4.25Å; A499-F719 HydrophobicContact CB-CE2 3.9Å; A499-F719 HydrophobicContact CB-CG 3.6Å; A499-F719 HydrophobicContact CB-CZ 4.23Å; R599-F719 HydrophobicContact CB-CE1 4.11Å; R599-F719 HydrophobicContact CG-CE1 4.01Å; R599-F719 HydrophobicContact CG-CZ 4.26Å; V601-F719 HydrophobicContact CG2-CE2 3.63Å; V601-F719 HydrophobicContact CG2-CZ 3.73Å; L710-F719 HydrophobicContact CD1-CD2 4.34Å; Q713-F719 HydrophobicContact CB-CD2 3.56Å; Q713-F719 HydrophobicContact CB-CE2 3.88Å; Q713-F719 HydrophobicContact CG-CD2 4.33Å; Q713-F719 HydrophobicContact CG-CE2 4.14Å; Q713-F719 PolarHBondContact O-N 3.45Å; V714-F719 HydrophobicContact CG2-CB 3.98Å
720	R	91.3	Very high	95	Very high	25 Å²	25	14.7 Å²	14.7	9%	0.094	6%	0.064	C	C	.	.	S	Bend	trans	-72.2	-52.8	177.2	180	170	73.5	-174.4	11	110.9	L496 V497 T498 S1143 L1169 L1170	L496-R720 HydrophobicContact CB-CB 3.84Å; L496-R720 WeakPolarHBondContact O-CB 3.42Å; V497-R720 PolarHBondContact O-N 2.88Å; T498-R720 PolarHBondContact OG1-NH2 3.4Å; R720-S1143 CarbonylContact O-C 3.56Å; R720-L1169 PolarHBondContact NH2-O 3.11Å; R720-L1170 VanDerWaalsContact NH2-CA 3.29Å; R720-L1170 PolarHBondContact NH2-O 3.32Å
721	N	96.5	Very high	95.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	177.5	-175.4	53.2	5.5	0	0	0	108.7	T498 A499 S1143 I1145 L1169	T498-N721 WeakPolarHBondContact CA-OD1 3.36Å; T498-N721 VanDerWaalsContact CB-OD1 3.31Å; T498-N721 WeakPolarHBondContact CB-OD1 3.46Å; T498-N721 WeakPolarHBondContact CG2-OD1 3.35Å; T498-N721 PolarHBondContact OG1-OD1 3.4Å; A499-N721 PolarHBondContact N-O 3.27Å; N721-S1143 WeakPolarHBondContact CB-O 3.39Å; N721-I1145 CarbonylContact C-O 3.57Å; N721-I1145 VanDerWaalsContact CA-O 3.27Å; N721-I1145 WeakPolarHBondContact CA-O 3.4Å; N721-I1145 HydrophobicContact CB-CG1 4.05Å; N721-I1145 WeakPolarHBondContact CB-O 3.36Å; N721-L1169 HydrophobicContact CB-CD2 3.96Å; N721-L1169 WeakPolarHBondContact ND2-CD2 3.15Å; N721-L1169 PolarHBondContact ND2-O 3.44Å
722	G	96.2	Very high	95.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	178	169.4	0	0	0	0	0	116.9	A499 I1145 V1146 L1147	A499-G722 CarbonylContact O-C 3.58Å; A499-G722 WeakPolarHBondContact O-CA 3.31Å; G722-I1145 PolarHBondContact N-O 3.43Å; G722-V1146 WeakPolarHBondContact O-CA 3.4Å; G722-L1147 PolarHBondContact O-N 3.46Å
723	F	98	Very high	95.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.3	178.9	-157.1	-65.9	0	0	0	110.6	A499 V500 A501 I725 Y1110 L1147 L1149 I1162 C1165 V1166 L1169	A499-F723 PolarHBondContact O-N 2.83Å; V500-F723 CarbonylContact C-O 3.52Å; V500-F723 WeakPolarHBondContact CA-O 3.35Å; V500-F723 HydrophobicContact CG2-CB 4.46Å; A501-F723 PolarHBondContact N-O 3.44Å; F723-I725 HydrophobicContact CD1-CG1 3.61Å; F723-I725 HydrophobicContact CE1-CG1 4.01Å; F723-Y1110 WeakPolarHBondContact CE2-OH 3.25Å; F723-Y1110 HydrophobicContact CZ-CE2 4.1Å; F723-Y1110 WeakPolarHBondContact CZ-OH 3.29Å; F723-L1147 CarbonylContact C-O 3.42Å; F723-L1147 WeakPolarHBondContact CA-O 3.37Å; F723-L1147 HydrophobicContact CD2-CB 3.66Å; F723-L1147 HydrophobicContact CD2-CD2 3.72Å; F723-L1147 HydrophobicContact CD2-CG 4.26Å; F723-L1147 HydrophobicContact CE2-CB 3.67Å; F723-L1147 HydrophobicContact CE2-CD2 3.46Å; F723-L1147 VanDerWaalsContact CE2-CD2 3.46Å; F723-L1147 HydrophobicContact CE2-CG 4.21Å; F723-L1147 HydrophobicContact CG-CB 4.16Å; F723-L1147 HydrophobicContact CZ-CB 4.16Å; F723-L1147 HydrophobicContact CZ-CD2 4.48Å; F723-L1149 HydrophobicContact CE1-CB 4.42Å; F723-I1162 HydrophobicContact CE1-CD1 4.33Å; F723-I1162 HydrophobicContact CE1-CG1 4.14Å; F723-I1162 HydrophobicContact CE1-CG2 4.35Å; F723-I1162 HydrophobicContact CE2-CG1 4.36Å; F723-I1162 HydrophobicContact CE2-CG2 4.44Å; F723-I1162 HydrophobicContact CZ-CB 4.45Å; F723-I1162 HydrophobicContact CZ-CD1 4.35Å; F723-I1162 HydrophobicContact CZ-CG1 3.73Å; F723-I1162 HydrophobicContact CZ-CG2 4.29Å; F723-C1165 HydrophobicContact CD2-CB 4.37Å; F723-C1165 HydrophobicContact CE2-CB 4.01Å; F723-V1166 HydrophobicContact CB-CG2 4.13Å; F723-V1166 HydrophobicContact CD2-CG2 4.02Å; F723-V1166 HydrophobicContact CG-CG2 4.18Å; F723-L1169 HydrophobicContact CB-CD1 4.01Å; F723-L1169 HydrophobicContact CD2-CD1 4.22Å
724	A	97.4	Very high	95.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.4	171.4	0	0	0	0	0	110.4	A501 V707 L710 V726 L1147 A1148 L1149	A501-A724 HydrophobicContact CB-CB 4.27Å; V707-A724 HydrophobicContact CG2-CB 3.83Å; L710-A724 HydrophobicContact CD2-CB 4.12Å; A724-V726 HydrophobicContact CB-CG1 3.96Å; A724-V726 HydrophobicContact CB-CG2 4.45Å; A724-V726 PolarHBondContact O-N 3.23Å; A724-L1147 PolarHBondContact N-O 3.37Å; A724-A1148 HydrophobicContact CB-CB 4.32Å; A724-L1149 PolarHBondContact O-N 2.82Å
725	I	96.2	Very high	95.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.			trans	-88.2	85.9	176.3	-53.4	172.8	0	0	0	106.9	V500 A501 F502 M506 L529 L533 L536 F723 I1162	V500-I725 HydrophobicContact CG1-CD1 3.71Å; V500-I725 HydrophobicContact CG1-CG1 4.29Å; A501-I725 PolarHBondContact O-N 3.3Å; F502-I725 HydrophobicContact CD2-CG2 4.47Å; M506-I725 WeakPolarHBondContact CE-O 3.46Å; L529-I725 HydrophobicContact CB-CG2 4.17Å; L529-I725 HydrophobicContact CD2-CG2 4.42Å; L529-I725 HydrophobicContact CG-CG2 3.74Å; L533-I725 HydrophobicContact CD2-CD1 3.97Å; L536-I725 HydrophobicContact CD1-CD1 3.69Å; F723-I725 HydrophobicContact CD1-CG1 3.61Å; F723-I725 HydrophobicContact CE1-CG1 4.01Å; I725-I1162 HydrophobicContact CD1-CG2 4.33Å
726	V	96.8	Very high	95.6	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	10%	0.098	C	C	.	.			trans	-124.5	157.9	-167.2	-67.9	0	0	0	0	112.6	M506 A703 Q706 V707 A724	M506-V726 HydrophobicContact CE-CB 4.28Å; M506-V726 HydrophobicContact CE-CG1 4.02Å; M506-V726 HydrophobicContact SD-CB 3.97Å; M506-V726 HydrophobicContact SD-CG1 4.02Å; A703-V726 HydrophobicContact CB-CB 3.96Å; A703-V726 HydrophobicContact CB-CG1 4.47Å; Q706-V726 HydrophobicContact CB-CG1 3.71Å; Q706-V726 HydrophobicContact CG-CG1 4.34Å; V707-V726 HydrophobicContact CG2-CG1 4.35Å; V707-V726 HydrophobicContact CG2-CG2 4.06Å; A724-V726 HydrophobicContact CB-CG1 3.96Å; A724-V726 HydrophobicContact CB-CG2 4.45Å; A724-V726 PolarHBondContact O-N 3.23Å
727	R	96.6	Very high	95.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-159.8	157.4	165.5	66.9	-174.5	-72.6	-88.8	-0.3	111.7	M506 H509 E524 L529	M506-R727 HydrophobicContact CB-CG 4.1Å; M506-R727 PolarHBondContact O-NH1 3.46Å; H509-R727 PolarHBondContact CD2-NH2 3.07Å; H509-R727 PolarHBondContact O-NH1 3.28Å; H509-R727 PolarHBondContact O-NH2 2.9Å; E524-R727 VanDerWaalsContact CD-NE 3.28Å; E524-R727 PolarHBondContact O-NH2 2.87Å; E524-R727 IonicContact OE1-CZ 3.67Å; E524-R727 IonicContact OE1-NE 2.61Å; E524-R727 PolarHBondContact OE1-NE 2.67Å; E524-R727 IonicContact OE1-NH2 2.68Å; E524-R727 IonicContact OE2-CZ 2.66Å; E524-R727 IonicContact OE2-NE 3.3Å; E524-R727 PolarHBondContact OE2-NE 3.28Å; E524-R727 IonicContact OE2-NH2 3.2Å; E524-R727 PolarHBondContact OE2-NH2 3.29Å; L529-R727 HydrophobicContact CD1-CB 4.19Å; L529-R727 HydrophobicContact CD1-CG 4.14Å; L529-R727 HydrophobicContact CD2-CB 4.2Å; L529-R727 HydrophobicContact CD2-CG 3.59Å
728	P	97.5	Very high	95.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.019	9%	0.094	C	C	.	.	S	Bend	cis	-59.3	163.3	-7.5	22.7	-32.9	0	0	0	113.5	A700 F741 Y743	A700-P728 HydrophobicContact CB-CG 3.78Å; P728-F741 WeakPolarHBondContact CB-O 3.48Å; P728-Y743 HydrophobicContact CB-CD2 4.39Å; P728-Y743 HydrophobicContact CG-CD2 4.03Å
729	P	98.3	Very high	96.3	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.026	9%	0.09	C	C	.	.			trans	-62.4	173.6	170.5	28.4	-35.5	0	0	0	112.3	E524 F741 C742 E1150	E524-P729 HydrophobicContact CG-CG 4.31Å; P729-F741 HydrophobicContact CG-CB 3.82Å; P729-C742 WeakPolarHBondContact O-CA 3.1Å; P729-E1150 HydrophobicContact CB-CB 4.43Å
730	G	98.3	Very high	96.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.			trans	-129.3	-33.3	-174.1	0	0	0	0	0	116.6	H732 A733 C742 F744 N745 E1150	G730-H732 VanDerWaalsContact C-N 3.27Å; G730-H732 PolarHBondContact O-N 2.88Å; G730-H732 VanDerWaalsContact O-N 3.1Å; G730-A733 PolarHBondContact O-N 3.05Å; G730-C742 VanDerWaalsContact C-SG 3.55Å; G730-C742 PolarHBondContact N-SG 2.78Å; G730-C742 VanDerWaalsContact N-SG 3.43Å; G730-F744 VanDerWaalsContact CA-O 3.32Å; G730-F744 WeakPolarHBondContact CA-O 3.34Å; G730-N745 VanDerWaalsContact O-CA 3.25Å; G730-N745 WeakPolarHBondContact O-CA 3.4Å; G730-N745 WeakPolarHBondContact O-CB 3.37Å; G730-N745 PolarHBondContact O-ND2 3.41Å; G730-E1150 PolarHBondContact N-OE2 3.03Å
731	H	98.5	Very high	96.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.4	-163.6	74	147.2	0	0	0	116.2	N745 D767 D769 H771 G773 G775 T776 E1150	H731-N745 PolarHBondContact O-ND2 3.45Å; H731-D767 IonicContact CG-OD2 2.65Å; H731-D767 IonicContact ND1-OD1 3.5Å; H731-D767 PolarHBondContact ND1-OD1 3.01Å; H731-D767 IonicContact ND1-OD2 3.88Å; H731-D767 PolarHBondContact ND1-OD2 2.72Å; H731-D767 VanDerWaalsContact ND1-OD2 3.08Å; H731-D769 VanDerWaalsContact CE1-CB 3.45Å; H731-D769 WeakPolarHBondContact CE1-CB 3.34Å; H731-D769 IonicContact CE1-OD1 3.14Å; H731-D769 IonicContact CE1-OD2 2.73Å; H731-D769 IonicContact NE2-OD1 2.74Å; H731-D769 IonicContact NE2-OD2 2.91Å; H731-H771 PolarHBondContact CE1-O 2.94Å; H731-G773 WeakPolarHBondContact ND1-CA 3.41Å; H731-G773 CarbonylContact O-C 3.59Å; H731-G775 WeakPolarHBondContact O-CA 3.34Å; H731-G775 PolarHBondContact O-N 3.13Å; H731-T776 WeakPolarHBondContact CA-OG1 3.49Å; H731-T776 WeakPolarHBondContact CB-OG1 3.38Å; H731-T776 PolarHBondContact O-N 3.31Å; H731-T776 PolarHBondContact O-OG1 3.08Å; H731-E1150 IonicContact CD2-OE2 3.64Å; H731-E1150 IonicContact CG-OE2 3.01Å; H731-E1150 PolarHBondContact N-OE2 2.88Å
732	H	98.3	Very high	96.9	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.014	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.9	174.6	-66.2	-53	0	0	0	115.1	G730 E734 M739 G740 C742 H771 H772 N774 F799	G730-H732 VanDerWaalsContact C-N 3.27Å; G730-H732 PolarHBondContact O-N 2.88Å; G730-H732 VanDerWaalsContact O-N 3.1Å; H732-E734 PolarHBondContact O-N 3.16Å; H732-M739 HydrophobicContact CB-CG 4.35Å; H732-M739 WeakPolarHBondContact CB-O 3.5Å; H732-M739 WeakPolarHBondContact O-CG 3.41Å; H732-G740 PolarHBondContact CD2-O 3.48Å; H732-C742 HydrophobicContact CB-CB 3.96Å; H732-C742 PolarHBondContact N-SG 3.43Å; H732-H771 VanDerWaalsContact CE1-CB 3.43Å; H732-H771 WeakPolarHBondContact CE1-CB 3.23Å; H732-H771 WeakPolarHBondContact NE2-CB 3.49Å; H732-H772 PolarHBondContact CE1-O 3.22Å; H732-H772 VanDerWaalsContact CE1-O 3.23Å; H732-H772 PolarHBondContact ND1-O 2.82Å; H732-N774 WeakPolarHBondContact CA-OD1 3.49Å; H732-N774 PolarHBondContact ND1-OD1 3.36Å; H732-N774 PolarHBondContact O-ND2 3Å; H732-F799 AromaticContact CD2-CE1 3.84Å; H732-F799 AromaticContact CE1-CE1 3.8Å; H732-F799 AromaticContact NE2-CE1 3.57Å
733	A	98	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.			trans	-72.9	117.2	-178.5	0	0	0	0	0	110.6	F614 H615 G730 Q737 C742 G775	F614-A733 WeakPolarHBondContact CE1-O 3.34Å; H615-A733 WeakPolarHBondContact CE1-CB 3.33Å; H615-A733 PolarHBondContact CE1-O 3.49Å; G730-A733 PolarHBondContact O-N 3.05Å; A733-Q737 WeakPolarHBondContact CA-O 3.31Å; A733-C742 HydrophobicContact CB-CB 3.78Å; A733-G775 WeakPolarHBondContact O-CA 3.18Å
734	E	97.4	Very high	97	Very high	53 Å²	53	17.8 Å²	17.8	25%	0.248	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-87.5	168.2	175.3	-50.8	-156	159.9	0	0	110.5	H615 H732 D736 Q737 N774 L778	H615-E734 PolarHBondContact CE1-O 3.15Å; H615-E734 PolarHBondContact ND1-O 3.24Å; H732-E734 PolarHBondContact O-N 3.16Å; E734-D736 PolarHBondContact O-N 2.94Å; E734-Q737 HydrophobicContact CB-CB 4.27Å; E734-Q737 PolarHBondContact N-O 2.7Å; E734-Q737 PolarHBondContact O-N 3.46Å; E734-N774 VanDerWaalsContact CG-ND2 3.33Å; E734-N774 WeakPolarHBondContact CG-ND2 3.2Å; E734-N774 PolarHBondContact OE1-ND2 3.42Å; E734-L778 HydrophobicContact CB-CD1 3.91Å; E734-L778 HydrophobicContact CG-CD1 4.01Å
735	P	96.2	Very high	97.1	Very high	35 Å²	35	17.8 Å²	17.8	23%	0.227	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.4	-174.2	-31	38.5	0	0	0	116.5	F614 H615 S616 L778	F614-P735 HydrophobicContact CE1-CG 4.02Å; F614-P735 HydrophobicContact CE2-CG 4.08Å; F614-P735 HydrophobicContact CZ-CG 3.73Å; F614-P735 WeakPolarHBondContact O-CB 3.2Å; H615-P735 CarbonylContact C-O 3.58Å; H615-P735 VanDerWaalsContact CA-O 3.28Å; H615-P735 WeakPolarHBondContact CA-O 3.18Å; S616-P735 PolarHBondContact N-O 3.31Å; P735-L778 HydrophobicContact CG-CD1 4.44Å
736	D	95.3	Very high	97.2	Very high	103 Å²	103	18 Å²	18	55%	0.551	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132	7.4	-178.1	-77.6	-73.5	0	0	0	113.4	S616 Y619 E734	S616-D736 WeakPolarHBondContact CB-OD1 3.39Å; S616-D736 PolarHBondContact OG-OD1 2.89Å; Y619-D736 WeakPolarHBondContact CD2-O 3.29Å; Y619-D736 VanDerWaalsContact CE2-C 3.49Å; E734-D736 PolarHBondContact O-N 2.94Å
737	Q	95	Very high	97.3	Very high	99 Å²	99	17.9 Å²	17.9	46%	0.463	9%	0.093	S	C	.	.	B	Isolated β-bridge	trans	-138.9	122.9	-174	-176.9	170.2	-24.5	0	0	113.4	A733 E734 M739	A733-Q737 WeakPolarHBondContact CA-O 3.31Å; E734-Q737 HydrophobicContact CB-CB 4.27Å; E734-Q737 PolarHBondContact N-O 2.7Å; E734-Q737 PolarHBondContact O-N 3.46Å; Q737-M739 HydrophobicContact CG-CB 4.44Å; Q737-M739 HydrophobicContact CG-CG 4.27Å; Q737-M739 HydrophobicContact CG-SD 4.3Å; Q737-M739 PolarHBondContact NE2-SD 2.89Å; Q737-M739 VanDerWaalsContact NE2-SD 3.39Å
738	A	96.3	Very high	97.4	Very high	9 Å²	9	17.9 Å²	17.9	7%	0.074	9%	0.093	C	C	.	.			trans	-85.8	134.7	163.6	0	0	0	0	0	108.8	Y619 F623 V685 T689 C742 Y743	Y619-A738 HydrophobicContact CE2-CB 4.39Å; Y619-A738 WeakPolarHBondContact OH-CA 3.24Å; Y619-A738 WeakPolarHBondContact OH-CB 3.5Å; Y619-A738 PolarHBondContact OH-N 3.45Å; F623-A738 HydrophobicContact CZ-CB 4.33Å; V685-A738 HydrophobicContact CG1-CB 4.43Å; V685-A738 HydrophobicContact CG2-CB 3.94Å; T689-A738 HydrophobicContact CG2-CB 4.47Å; A738-C742 VanDerWaalsContact CA-O 3.3Å; A738-C742 WeakPolarHBondContact CA-O 3.35Å; A738-C742 WeakPolarHBondContact CB-O 3.36Å; A738-Y743 HydrophobicContact CB-CD1 3.82Å; A738-Y743 HydrophobicContact CB-CE1 4.05Å
739	M	96.3	Very high	97.4	Very high	24 Å²	24	17.8 Å²	17.8	12%	0.118	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-170.9	161	179.5	55.9	176.7	-74.4	0	0	110.7	D686 H732 Q737 F741 C742 F799 P800	D686-M739 WeakPolarHBondContact OD2-CA 3.46Å; H732-M739 HydrophobicContact CB-CG 4.35Å; H732-M739 WeakPolarHBondContact CB-O 3.5Å; H732-M739 WeakPolarHBondContact O-CG 3.41Å; Q737-M739 HydrophobicContact CG-CB 4.44Å; Q737-M739 HydrophobicContact CG-CG 4.27Å; Q737-M739 HydrophobicContact CG-SD 4.3Å; Q737-M739 PolarHBondContact NE2-SD 2.89Å; Q737-M739 VanDerWaalsContact NE2-SD 3.39Å; M739-F741 PolarHBondContact O-N 3.26Å; M739-C742 PolarHBondContact N-O 3.33Å; M739-C742 WeakPolarHBondContact O-CB 3.2Å; M739-C742 PolarHBondContact O-N 3.31Å; M739-F799 HydrophobicContact CE-CE2 4.24Å; M739-F799 HydrophobicContact CE-CZ 3.83Å; M739-P800 HydrophobicContact CE-CB 3.92Å
740	G	94.7	Very high	97.4	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	49	173.8	0	0	0	0	0	112.1	D688 T689 H732 C742	D688-G740 WeakPolarHBondContact OD1-CA 3.5Å; D688-G740 PolarHBondContact OD1-N 2.86Å; T689-G740 PolarHBondContact OG1-N 2.9Å; H732-G740 PolarHBondContact CD2-O 3.48Å; G740-C742 PolarHBondContact O-N 2.9Å; G740-C742 PolarHBondContact O-SG 3.27Å
741	F	96.3	Very high	97.4	Very high	29 Å²	29	17.6 Å²	17.6	13%	0.127	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-5	-168.3	-37.7	-71.6	0	0	0	116.6	P523 E524 D688 T689 P728 P729 M739 Y1153	P523-F741 HydrophobicContact CB-CZ 4.49Å; E524-F741 HydrophobicContact CB-CB 4.03Å; E524-F741 HydrophobicContact CB-CD1 3.78Å; E524-F741 HydrophobicContact CB-CD2 4.33Å; E524-F741 HydrophobicContact CB-CE1 4.32Å; E524-F741 HydrophobicContact CB-CG 3.78Å; E524-F741 HydrophobicContact CG-CB 3.92Å; E524-F741 HydrophobicContact CG-CG 4.15Å; D688-F741 HydrophobicContact CB-CD1 4.19Å; D688-F741 HydrophobicContact CB-CE1 3.73Å; D688-F741 HydrophobicContact CB-CZ 4.27Å; D688-F741 WeakPolarHBondContact O-CD1 3.24Å; D688-F741 PolarHBondContact OD1-N 2.8Å; D688-F741 VanDerWaalsContact OD1-N 3.07Å; T689-F741 VanDerWaalsContact OG1-CA 3.31Å; T689-F741 WeakPolarHBondContact OG1-CA 3.32Å; T689-F741 PolarHBondContact OG1-N 2.71Å; P728-F741 WeakPolarHBondContact CB-O 3.48Å; P729-F741 HydrophobicContact CG-CB 3.82Å; M739-F741 PolarHBondContact O-N 3.26Å; F741-Y1153 HydrophobicContact CD2-CE1 4.11Å; F741-Y1153 AromaticContact CE2-CE1 3.86Å; F741-Y1153 HydrophobicContact CE2-CE1 3.86Å; F741-Y1153 AromaticContact CE2-CZ 3.79Å
742	C	98.1	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-92.8	135.4	-169.4	-62.5	0	0	0	0	112.9	P729 G730 H732 A733 A738 M739 G740	P729-C742 WeakPolarHBondContact O-CA 3.1Å; G730-C742 VanDerWaalsContact C-SG 3.55Å; G730-C742 PolarHBondContact N-SG 2.78Å; G730-C742 VanDerWaalsContact N-SG 3.43Å; H732-C742 HydrophobicContact CB-CB 3.96Å; H732-C742 PolarHBondContact N-SG 3.43Å; A733-C742 HydrophobicContact CB-CB 3.78Å; A738-C742 VanDerWaalsContact CA-O 3.3Å; A738-C742 WeakPolarHBondContact CA-O 3.35Å; A738-C742 WeakPolarHBondContact CB-O 3.36Å; M739-C742 PolarHBondContact N-O 3.33Å; M739-C742 WeakPolarHBondContact O-CB 3.2Å; M739-C742 PolarHBondContact O-N 3.31Å; G740-C742 PolarHBondContact O-N 2.9Å; G740-C742 PolarHBondContact O-SG 3.27Å
743	Y	97.5	Very high	97.4	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.096	C	C	.	.	S	Bend	trans	-112.9	-37	174.8	-77.2	-80.2	0	0	0	114.1	H509 Y619 F623 V685 T689 V690 W691 T696 P728 A738	H509-Y743 AromaticContact CE1-CE2 3.98Å; Y619-Y743 WeakPolarHBondContact CE1-O 3.32Å; Y619-Y743 PolarHBondContact OH-O 2.78Å; F623-Y743 AromaticContact CD1-CD1 3.71Å; F623-Y743 HydrophobicContact CD1-CD1 3.71Å; F623-Y743 AromaticContact CD1-CE1 3.74Å; F623-Y743 HydrophobicContact CD1-CE1 3.74Å; F623-Y743 HydrophobicContact CE1-CD1 4.18Å; F623-Y743 AromaticContact CE1-CE1 3.85Å; F623-Y743 HydrophobicContact CE1-CE1 3.85Å; F623-Y743 HydrophobicContact CG-CD1 4.21Å; V685-Y743 HydrophobicContact CG1-CE1 4.13Å; T689-Y743 HydrophobicContact CG2-CD2 4.13Å; T689-Y743 HydrophobicContact CG2-CE1 4.05Å; T689-Y743 HydrophobicContact CG2-CE2 3.49Å; T689-Y743 VanDerWaalsContact CG2-CE2 3.49Å; T689-Y743 VanDerWaalsContact CG2-CZ 3.45Å; T689-Y743 PolarHBondContact O-OH 3.02Å; V690-Y743 VanDerWaalsContact C-OH 3.22Å; V690-Y743 PolarHBondContact O-OH 3.3Å; V690-Y743 VanDerWaalsContact O-OH 3.11Å; W691-Y743 HydrophobicContact CE3-CD1 4.35Å; W691-Y743 AromaticContact CE3-CE1 3.57Å; W691-Y743 HydrophobicContact CE3-CE1 3.57Å; W691-Y743 AromaticContact CE3-CZ 3.7Å; W691-Y743 HydrophobicContact CZ3-CD1 4.18Å; W691-Y743 AromaticContact CZ3-CE1 3.85Å; W691-Y743 HydrophobicContact CZ3-CE1 3.85Å; W691-Y743 PolarHBondContact N-OH 3.35Å; T696-Y743 HydrophobicContact CG2-CD1 4.42Å; T696-Y743 HydrophobicContact CG2-CD2 3.62Å; T696-Y743 HydrophobicContact CG2-CE1 4.27Å; T696-Y743 HydrophobicContact CG2-CE2 3.41Å; T696-Y743 VanDerWaalsContact CG2-CE2 3.41Å; T696-Y743 HydrophobicContact CG2-CG 4.11Å; P728-Y743 HydrophobicContact CB-CD2 4.39Å; P728-Y743 HydrophobicContact CG-CD2 4.03Å; A738-Y743 HydrophobicContact CB-CD1 3.82Å; A738-Y743 HydrophobicContact CB-CE1 4.05Å
744	F	98.4	Very high	97.4	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.018	10%	0.097	C	C	.	.	S	Bend	trans	-143.2	125.2	177.5	-65.4	-59.9	0	0	0	110.1	L611 H615 Y619 V620 F623 A700 R701 V704 G730 S746 I749	L611-F744 HydrophobicContact CB-CE1 4.44Å; L611-F744 HydrophobicContact CD1-CE1 4.16Å; L611-F744 HydrophobicContact CD1-CE2 4.04Å; L611-F744 HydrophobicContact CD1-CZ 3.84Å; L611-F744 HydrophobicContact CD2-CB 4.26Å; L611-F744 HydrophobicContact CD2-CD1 4.04Å; L611-F744 HydrophobicContact CD2-CD2 3.92Å; L611-F744 HydrophobicContact CD2-CE1 4.37Å; L611-F744 HydrophobicContact CD2-CE2 4.27Å; L611-F744 HydrophobicContact CD2-CG 3.82Å; L611-F744 HydrophobicContact CD2-CZ 4.48Å; H615-F744 AromaticContact CD2-CD1 3.72Å; H615-F744 WeakPolarHBondContact NE2-CA 3.25Å; Y619-F744 HydrophobicContact CD1-CD1 4.45Å; Y619-F744 AromaticContact CD1-CE1 3.94Å; Y619-F744 HydrophobicContact CD1-CE1 3.94Å; Y619-F744 AromaticContact CE1-CD1 3.82Å; Y619-F744 HydrophobicContact CE1-CD1 3.82Å; Y619-F744 AromaticContact CE1-CE1 3.6Å; Y619-F744 HydrophobicContact CE1-CE1 3.6Å; V620-F744 HydrophobicContact CG2-CE1 4.26Å; F623-F744 HydrophobicContact CB-CE1 4.33Å; F623-F744 HydrophobicContact CB-CE2 4.45Å; F623-F744 HydrophobicContact CB-CZ 3.78Å; A700-F744 HydrophobicContact CB-CD2 3.78Å; A700-F744 HydrophobicContact CB-CE2 4.22Å; R701-F744 HydrophobicContact CG-CD2 4.45Å; R701-F744 HydrophobicContact CG-CE2 4.04Å; V704-F744 HydrophobicContact CG2-CB 3.43Å; V704-F744 VanDerWaalsContact CG2-CB 3.43Å; V704-F744 HydrophobicContact CG2-CG 4.34Å; G730-F744 VanDerWaalsContact CA-O 3.32Å; G730-F744 WeakPolarHBondContact CA-O 3.34Å; F744-S746 VanDerWaalsContact C-N 3.35Å; F744-S746 PolarHBondContact O-N 2.95Å; F744-S746 PolarHBondContact O-OG 2.98Å; F744-I749 HydrophobicContact CB-CD1 4.36Å
745	N	98.6	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.			trans	-68.9	86.7	179.1	-163.9	-38.7	0	0	0	113.2	F614 H615 G730 H731 V747 A748 I749 T776	F614-N745 HydrophobicContact CD1-CB 4.07Å; F614-N745 HydrophobicContact CE1-CB 4.02Å; H615-N745 VanDerWaalsContact NE2-CA 3.31Å; H615-N745 WeakPolarHBondContact NE2-CA 3.06Å; H615-N745 WeakPolarHBondContact NE2-CB 3.43Å; H615-N745 PolarHBondContact NE2-N 3.26Å; G730-N745 VanDerWaalsContact O-CA 3.25Å; G730-N745 WeakPolarHBondContact O-CA 3.4Å; G730-N745 WeakPolarHBondContact O-CB 3.37Å; G730-N745 PolarHBondContact O-ND2 3.41Å; H731-N745 PolarHBondContact O-ND2 3.45Å; N745-V747 VanDerWaalsContact C-N 3.31Å; N745-V747 PolarHBondContact O-N 2.83Å; N745-V747 PolarHBondContact OD1-N 3.45Å; N745-A748 HydrophobicContact CB-CB 3.97Å; N745-A748 PolarHBondContact O-N 3.09Å; N745-A748 WeakPolarHBondContact OD1-CB 3.35Å; N745-A748 PolarHBondContact OD1-N 3.01Å; N745-I749 WeakPolarHBondContact O-CB 3.46Å; N745-I749 WeakPolarHBondContact O-CD1 3.49Å; N745-I749 WeakPolarHBondContact O-CG1 3.42Å; N745-I749 PolarHBondContact O-N 3.25Å; N745-T776 WeakPolarHBondContact ND2-CA 3.14Å; N745-T776 PolarHBondContact ND2-N 2.7Å; N745-T776 VanDerWaalsContact ND2-N 3.1Å; N745-T776 PolarHBondContact ND2-OG1 3.32Å
746	S	98.7	Very high	97.3	Very high	5 Å²	5	21 Å²	21	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-55.8	-41.3	-177.3	-61.7	0	0	0	0	113.3	V704 F744 A750	V704-S746 WeakPolarHBondContact CA-OG 3.21Å; V704-S746 WeakPolarHBondContact CG2-OG 3.38Å; V704-S746 PolarHBondContact N-OG 3.11Å; F744-S746 VanDerWaalsContact C-N 3.35Å; F744-S746 PolarHBondContact O-N 2.95Å; F744-S746 PolarHBondContact O-OG 2.98Å; S746-A750 WeakPolarHBondContact O-CB 3.21Å; S746-A750 PolarHBondContact O-N 2.82Å; S746-A750 VanDerWaalsContact O-N 3.08Å
747	V	98.7	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-76.9	-42.5	-176.9	180	0	0	0	0	111.4	V707 N745 A750 A751 I765 L1105 S1107 A1148 E1150	V707-V747 HydrophobicContact CG1-CG2 4.36Å; N745-V747 VanDerWaalsContact C-N 3.31Å; N745-V747 PolarHBondContact O-N 2.83Å; N745-V747 PolarHBondContact OD1-N 3.45Å; V747-A750 PolarHBondContact O-N 3.35Å; V747-A751 WeakPolarHBondContact O-CB 3.39Å; V747-A751 PolarHBondContact O-N 3.39Å; V747-I765 HydrophobicContact CG1-CD1 4.01Å; V747-I765 HydrophobicContact CG1-CG1 3.99Å; V747-I765 HydrophobicContact CG1-CG2 3.92Å; V747-L1105 HydrophobicContact CG1-CB 3.82Å; V747-L1105 HydrophobicContact CG1-CD1 4.16Å; V747-S1107 WeakPolarHBondContact CG2-OG 3.31Å; V747-A1148 HydrophobicContact CG2-CB 3.85Å; V747-E1150 WeakPolarHBondContact CG2-OE1 3.33Å
748	A	98.4	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-44.6	173.9	0	0	0	0	0	112.3	F614 N745 A750 A751 L752 A779	F614-A748 HydrophobicContact CD2-CB 4.27Å; F614-A748 HydrophobicContact CG-CB 4.3Å; N745-A748 HydrophobicContact CB-CB 3.97Å; N745-A748 PolarHBondContact O-N 3.09Å; N745-A748 WeakPolarHBondContact OD1-CB 3.35Å; N745-A748 PolarHBondContact OD1-N 3.01Å; A748-A750 PolarHBondContact O-N 3.32Å; A748-A751 PolarHBondContact O-N 3.13Å; A748-L752 VanDerWaalsContact O-CB 3.32Å; A748-L752 WeakPolarHBondContact O-CB 3.48Å; A748-L752 VanDerWaalsContact O-CG 3.3Å; A748-L752 WeakPolarHBondContact O-CG 3.17Å; A748-L752 PolarHBondContact O-N 2.87Å; A748-A779 HydrophobicContact CB-CB 3.71Å
749	I	98.6	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-46	176.4	-69.5	163.2	0	0	0	110.4	E610 L611 F614 H615 V704 L708 F744 N745 H753	E610-I749 VanDerWaalsContact O-CG2 3.25Å; E610-I749 WeakPolarHBondContact O-CG2 3.22Å; L611-I749 HydrophobicContact CD2-CD1 4.22Å; F614-I749 HydrophobicContact CB-CG1 3.89Å; H615-I749 VanDerWaalsContact NE2-CD1 3.31Å; H615-I749 WeakPolarHBondContact NE2-CD1 3.44Å; V704-I749 HydrophobicContact CG1-CB 4.12Å; V704-I749 HydrophobicContact CG1-CD1 3.7Å; V704-I749 HydrophobicContact CG1-CG2 3.76Å; V704-I749 HydrophobicContact CG2-CD1 4.05Å; L708-I749 HydrophobicContact CD1-CG2 4.13Å; F744-I749 HydrophobicContact CB-CD1 4.36Å; N745-I749 WeakPolarHBondContact O-CB 3.46Å; N745-I749 WeakPolarHBondContact O-CD1 3.49Å; N745-I749 WeakPolarHBondContact O-CG1 3.42Å; N745-I749 PolarHBondContact O-N 3.25Å; I749-H753 WeakPolarHBondContact O-CB 3.04Å; I749-H753 PolarHBondContact O-N 2.92Å
750	A	98.5	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-47.7	177.7	0	0	0	0	0	112	V707 A711 S746 V747 A748 H753 L754 L1105	V707-A750 HydrophobicContact CG1-CB 3.99Å; A711-A750 HydrophobicContact CB-CB 4.1Å; S746-A750 WeakPolarHBondContact O-CB 3.21Å; S746-A750 PolarHBondContact O-N 2.82Å; S746-A750 VanDerWaalsContact O-N 3.08Å; V747-A750 PolarHBondContact O-N 3.35Å; A748-A750 PolarHBondContact O-N 3.32Å; A750-H753 PolarHBondContact O-N 3.43Å; A750-L754 WeakPolarHBondContact O-CG 3.44Å; A750-L754 PolarHBondContact O-N 2.92Å; A750-L1105 HydrophobicContact CB-CD1 4.14Å
751	A	98.5	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-51.4	177.4	0	0	0	0	0	112.1	V747 A748 H753 L754 L755 V763 I765 L785 L1105	V747-A751 WeakPolarHBondContact O-CB 3.39Å; V747-A751 PolarHBondContact O-N 3.39Å; A748-A751 PolarHBondContact O-N 3.13Å; A751-H753 VanDerWaalsContact C-N 3.34Å; A751-H753 PolarHBondContact O-N 3.48Å; A751-L754 PolarHBondContact O-N 3.16Å; A751-L755 WeakPolarHBondContact O-CB 3.43Å; A751-L755 WeakPolarHBondContact O-CD1 3.23Å; A751-L755 VanDerWaalsContact O-CG 3.31Å; A751-L755 WeakPolarHBondContact O-CG 3.37Å; A751-L755 PolarHBondContact O-N 2.89Å; A751-L755 VanDerWaalsContact O-N 3.07Å; A751-V763 HydrophobicContact CB-CG1 3.93Å; A751-I765 HydrophobicContact CB-CD1 3.92Å; A751-I765 HydrophobicContact CB-CG1 4.35Å; A751-L785 HydrophobicContact CB-CD1 4.05Å; A751-L1105 HydrophobicContact CB-CD1 3.95Å
752	L	97.9	Very high	97.5	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-34	-179.2	-70.1	171.8	0	0	0	112.2	I613 F614 A748 R756 A779 H782	I613-L752 HydrophobicContact CG2-CB 3.4Å; I613-L752 VanDerWaalsContact CG2-CB 3.4Å; I613-L752 HydrophobicContact CG2-CD1 4.28Å; I613-L752 HydrophobicContact CG2-CG 4.49Å; F614-L752 HydrophobicContact CB-CD1 4.14Å; F614-L752 HydrophobicContact CD2-CD1 3.84Å; F614-L752 HydrophobicContact CG-CD1 4.42Å; A748-L752 VanDerWaalsContact O-CB 3.32Å; A748-L752 WeakPolarHBondContact O-CB 3.48Å; A748-L752 VanDerWaalsContact O-CG 3.3Å; A748-L752 WeakPolarHBondContact O-CG 3.17Å; A748-L752 PolarHBondContact O-N 2.87Å; L752-R756 VanDerWaalsContact O-CB 3.28Å; L752-R756 WeakPolarHBondContact O-CB 3.48Å; L752-R756 VanDerWaalsContact O-CG 3.23Å; L752-R756 WeakPolarHBondContact O-CG 3.27Å; L752-R756 PolarHBondContact O-N 2.81Å; L752-A779 HydrophobicContact CD1-CB 4.17Å; L752-H782 HydrophobicContact CD2-CB 3.9Å
753	H	97.3	Very high	97.6	Very high	24 Å²	24	33.2 Å²	33.2	11%	0.111	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-50.9	172.8	-178.2	61.7	0	0	0	111.6	I613 I749 A750 A751 L755 R756 E757	I613-H753 HydrophobicContact CD1-CB 3.76Å; I749-H753 WeakPolarHBondContact O-CB 3.04Å; I749-H753 PolarHBondContact O-N 2.92Å; A750-H753 PolarHBondContact O-N 3.43Å; A751-H753 VanDerWaalsContact C-N 3.34Å; A751-H753 PolarHBondContact O-N 3.48Å; H753-L755 PolarHBondContact O-N 3.27Å; H753-R756 PolarHBondContact O-N 2.88Å; H753-E757 WeakPolarHBondContact O-CB 3.3Å; H753-E757 WeakPolarHBondContact O-CG 3.47Å; H753-E757 PolarHBondContact O-N 2.93Å
754	L	98	Very high	97.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-35.2	179	-67.1	-179.5	0	0	0	112.9	A711 Y712 A715 A750 A751 R758 I759 V760 I1103	A711-L754 HydrophobicContact CB-CD1 4.06Å; Y712-L754 HydrophobicContact CD2-CD2 4.25Å; A715-L754 HydrophobicContact CB-CD1 4.14Å; A715-L754 HydrophobicContact CB-CD2 3.92Å; A750-L754 WeakPolarHBondContact O-CG 3.44Å; A750-L754 PolarHBondContact O-N 2.92Å; A751-L754 PolarHBondContact O-N 3.16Å; L754-R758 PolarHBondContact O-N 3.14Å; L754-I759 HydrophobicContact CB-CB 4.44Å; L754-I759 HydrophobicContact CD2-CB 3.95Å; L754-I759 HydrophobicContact CD2-CG1 4.1Å; L754-I759 HydrophobicContact CD2-CG2 4.01Å; L754-I759 PolarHBondContact O-N 3.39Å; L754-V760 HydrophobicContact CB-CG2 3.96Å; L754-V760 PolarHBondContact O-N 3.36Å; L754-I1103 HydrophobicContact CD1-CD1 4.14Å; L754-I1103 HydrophobicContact CD1-CG2 4.13Å
755	L	97.4	Very high	97.6	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-77.2	-46.9	179.1	-72.8	164.5	0	0	0	112.5	A751 H753 R758 V760 S761 V763 L785	A751-L755 WeakPolarHBondContact O-CB 3.43Å; A751-L755 WeakPolarHBondContact O-CD1 3.23Å; A751-L755 VanDerWaalsContact O-CG 3.31Å; A751-L755 WeakPolarHBondContact O-CG 3.37Å; A751-L755 PolarHBondContact O-N 2.89Å; A751-L755 VanDerWaalsContact O-N 3.07Å; H753-L755 PolarHBondContact O-N 3.27Å; L755-R758 PolarHBondContact O-N 3.24Å; L755-R758 VanDerWaalsContact O-N 3.1Å; L755-V760 HydrophobicContact CD2-CG2 4.28Å; L755-S761 WeakPolarHBondContact CD2-O 3.37Å; L755-V763 HydrophobicContact CD1-CB 4.12Å; L755-V763 HydrophobicContact CD1-CG2 3.87Å; L755-V763 HydrophobicContact CD2-CG2 3.99Å; L755-V763 HydrophobicContact CG-CB 4.47Å; L755-V763 HydrophobicContact CG-CG2 3.72Å; L755-L785 HydrophobicContact CD1-CB 3.92Å; L755-L785 HydrophobicContact CD1-CD1 4.4Å
756	R	95.2	Very high	97.6	Very high	128 Å²	128	33.2 Å²	33.2	48%	0.483	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-42.7	179.6	-73.2	178.1	-172.8	177.3	11.2	112.2	I613 L752 H753 R758	I613-R756 PolarHBondContact O-NH1 3.36Å; I613-R756 PolarHBondContact O-NH2 3.02Å; L752-R756 VanDerWaalsContact O-CB 3.28Å; L752-R756 WeakPolarHBondContact O-CB 3.48Å; L752-R756 VanDerWaalsContact O-CG 3.23Å; L752-R756 WeakPolarHBondContact O-CG 3.27Å; L752-R756 PolarHBondContact O-N 2.81Å; H753-R756 PolarHBondContact O-N 2.88Å; R756-R758 PolarHBondContact O-N 3.19Å
757	E	94.6	Very high	97.6	Very high	120 Å²	120	33 Å²	33	56%	0.561	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	3.1	175.3	-58	-56	149.8	0	0	113.2	H753 I759	H753-E757 WeakPolarHBondContact O-CB 3.3Å; H753-E757 WeakPolarHBondContact O-CG 3.47Å; H753-E757 PolarHBondContact O-N 2.93Å; E757-I759 HydrophobicContact CB-CD1 3.83Å; E757-I759 HydrophobicContact CB-CG1 3.89Å; E757-I759 PolarHBondContact O-N 3.44Å
758	R	95.7	Very high	97.6	Very high	215 Å²	215	33 Å²	33	81%	0.811	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.6	178.5	-52.6	-177.9	-175.5	-176.7	0.4	113.7	L754 L755 R756 V760	L754-R758 PolarHBondContact O-N 3.14Å; L755-R758 PolarHBondContact O-N 3.24Å; L755-R758 VanDerWaalsContact O-N 3.1Å; R756-R758 PolarHBondContact O-N 3.19Å; R758-V760 VanDerWaalsContact C-N 3.25Å
759	I	96.5	Very high	97.6	Very high	32 Å²	32	33 Å²	33	16%	0.164	15%	0.15	C	C	.	.	S	Bend	trans	-69.2	-32.6	173.5	-46.3	-55.1	0	0	0	110.1	Y712 A715 K716 L754 E757	Y712-I759 HydrophobicContact CD2-CD1 4.44Å; Y712-I759 HydrophobicContact CD2-CG1 4.21Å; Y712-I759 HydrophobicContact CE2-CD1 3.65Å; Y712-I759 HydrophobicContact CE2-CG1 3.91Å; A715-I759 HydrophobicContact CB-CG2 3.8Å; K716-I759 HydrophobicContact CD-CG2 3.94Å; K716-I759 HydrophobicContact CG-CG2 4.16Å; L754-I759 HydrophobicContact CB-CB 4.44Å; L754-I759 HydrophobicContact CD2-CB 3.95Å; L754-I759 HydrophobicContact CD2-CG1 4.1Å; L754-I759 HydrophobicContact CD2-CG2 4.01Å; L754-I759 PolarHBondContact O-N 3.39Å; E757-I759 HydrophobicContact CB-CD1 3.83Å; E757-I759 HydrophobicContact CB-CG1 3.89Å; E757-I759 PolarHBondContact O-N 3.44Å
760	V	96.9	Very high	97.5	Very high	13 Å²	13	33 Å²	33	8%	0.079	15%	0.15	C	C	.	.			trans	-139.2	165.6	172.1	-60.7	0	0	0	0	109.4	A715 L754 L755 R758 V763 D1102 I1103	A715-V760 HydrophobicContact CB-CG1 3.98Å; L754-V760 HydrophobicContact CB-CG2 3.96Å; L754-V760 PolarHBondContact O-N 3.36Å; L755-V760 HydrophobicContact CD2-CG2 4.28Å; R758-V760 VanDerWaalsContact C-N 3.25Å; V760-V763 HydrophobicContact CG2-CG2 3.57Å; V760-D1102 HydrophobicContact CB-CB 3.71Å; V760-D1102 HydrophobicContact CG1-CB 3.8Å; V760-I1103 HydrophobicContact CG1-CG2 4.08Å; V760-I1103 HydrophobicContact CG2-CG2 4.09Å
761	S	97.2	Very high	97.5	Very high	85 Å²	85	33.4 Å²	33.4	59%	0.594	15%	0.152	S	C	*	.	S	Bend	trans	-103.2	-26.6	174.3	-61.7	0	0	0	0	113	L755 G784 D1102	L755-S761 WeakPolarHBondContact CD2-O 3.37Å; S761-G784 WeakPolarHBondContact O-CA 3.25Å; S761-D1102 WeakPolarHBondContact CA-OD2 3.13Å; S761-D1102 PolarHBondContact N-OD2 3.27Å
762	K	97.8	Very high	97.4	Very high	58 Å²	58	33.5 Å²	33.5	25%	0.252	15%	0.152	S	C	.	.			trans	-133.9	118.4	-177.3	-69.4	-177.4	-65.6	173.2	0	112.2	G784 F1099 Q1100 D1102	K762-G784 CarbonylContact C-O 3.56Å; K762-G784 WeakPolarHBondContact CA-O 3.23Å; K762-F1099 HydrophobicContact CB-CE1 3.91Å; K762-F1099 HydrophobicContact CB-CE2 4.35Å; K762-F1099 HydrophobicContact CB-CZ 3.68Å; K762-F1099 HydrophobicContact CD-CD2 4.36Å; K762-F1099 HydrophobicContact CD-CE2 4Å; K762-F1099 HydrophobicContact CD-CZ 4.19Å; K762-F1099 WeakPolarHBondContact CD-O 3.08Å; K762-F1099 HydrophobicContact CG-CE2 4.12Å; K762-F1099 HydrophobicContact CG-CZ 3.92Å; K762-F1099 PolarHBondContact NZ-O 2.89Å; K762-Q1100 WeakPolarHBondContact CE-O 2.92Å; K762-Q1100 PolarHBondContact NZ-O 3.01Å; K762-D1102 PolarHBondContact N-OD2 2.81Å; K762-D1102 WeakPolarHBondContact O-CB 3.19Å; K762-D1102 PolarHBondContact O-N 3.16Å
763	V	98.4	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.4	170.8	-179.7	0	0	0	0	108.8	A751 L755 V760 I765 G784 L785 V786 F1099 I1103 L1105	A751-V763 HydrophobicContact CB-CG1 3.93Å; L755-V763 HydrophobicContact CD1-CB 4.12Å; L755-V763 HydrophobicContact CD1-CG2 3.87Å; L755-V763 HydrophobicContact CD2-CG2 3.99Å; L755-V763 HydrophobicContact CG-CB 4.47Å; L755-V763 HydrophobicContact CG-CG2 3.72Å; V760-V763 HydrophobicContact CG2-CG2 3.57Å; V763-I765 HydrophobicContact CG1-CG1 4.35Å; V763-G784 PolarHBondContact N-O 3.19Å; V763-L785 HydrophobicContact CB-CD1 3.83Å; V763-L785 HydrophobicContact CG1-CD1 3.84Å; V763-L785 WeakPolarHBondContact O-CA 3.26Å; V763-V786 PolarHBondContact O-N 2.68Å; V763-F1099 WeakPolarHBondContact O-CE1 3.17Å; V763-I1103 HydrophobicContact CB-CG2 4.47Å; V763-I1103 HydrophobicContact CG1-CG2 4.4Å; V763-I1103 HydrophobicContact CG2-CG2 3.83Å; V763-L1105 HydrophobicContact CG1-CD1 4.22Å; V763-L1105 HydrophobicContact CG1-CG 4.13Å
764	L	98.5	Very high	97.4	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.7	162.6	172.4	62.4	0	0	0	107.7	V786 L788 F1099 P1101 I1103 I1104 L1105	L764-V786 CarbonylContact C-O 3.12Å; L764-V786 WeakPolarHBondContact CA-O 3.49Å; L764-V786 HydrophobicContact CD1-CB 3.98Å; L764-V786 HydrophobicContact CD1-CG1 3.73Å; L764-L788 HydrophobicContact CD1-CB 4.44Å; L764-F1099 HydrophobicContact CB-CD1 4.18Å; L764-F1099 HydrophobicContact CB-CE1 4.16Å; L764-P1101 HydrophobicContact CB-CB 3.72Å; L764-P1101 HydrophobicContact CB-CG 4Å; L764-P1101 HydrophobicContact CD2-CG 4.27Å; L764-I1103 PolarHBondContact N-O 3.29Å; L764-I1103 VanDerWaalsContact N-O 3.16Å; L764-I1104 HydrophobicContact CB-CG1 4.25Å; L764-I1104 HydrophobicContact CD2-CG1 4.26Å; L764-I1104 CarbonylContact O-C 3.47Å; L764-I1104 VanDerWaalsContact O-CA 3.28Å; L764-I1104 WeakPolarHBondContact O-CA 3.4Å; L764-L1105 PolarHBondContact O-N 2.87Å
765	I	98.7	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.9	162	-60.8	167.5	0	0	0	107.5	V747 A751 V763 T776 L785 V786 Y787 L788 L1105	V747-I765 HydrophobicContact CG1-CD1 4.01Å; V747-I765 HydrophobicContact CG1-CG1 3.99Å; V747-I765 HydrophobicContact CG1-CG2 3.92Å; A751-I765 HydrophobicContact CB-CD1 3.92Å; A751-I765 HydrophobicContact CB-CG1 4.35Å; V763-I765 HydrophobicContact CG1-CG1 4.35Å; I765-T776 HydrophobicContact CD1-CG2 3.66Å; I765-T776 HydrophobicContact CG2-CG2 4.12Å; I765-L785 HydrophobicContact CD1-CD1 3.84Å; I765-L785 HydrophobicContact CD1-CD2 4.3Å; I765-L785 HydrophobicContact CG1-CD1 3.93Å; I765-V786 PolarHBondContact N-O 2.84Å; I765-Y787 HydrophobicContact CB-CD2 3.96Å; I765-Y787 HydrophobicContact CG2-CD2 3.74Å; I765-Y787 HydrophobicContact CG2-CE2 4.13Å; I765-Y787 WeakPolarHBondContact O-CA 3.26Å; I765-L788 PolarHBondContact O-N 2.81Å; I765-L1105 CarbonylContact C-O 3.55Å; I765-L1105 VanDerWaalsContact CA-O 3.31Å; I765-L1105 WeakPolarHBondContact CA-O 3.43Å; I765-L1105 HydrophobicContact CG1-CB 4.4Å
766	L	98.7	Very high	97.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.2	167.2	177.2	62.1	0	0	0	107.9	W768 L788 L790 V1092 I1104 L1105 I1106 S1107 I1133	L766-W768 HydrophobicContact CD2-CE3 4.3Å; L766-L788 HydrophobicContact CD1-CD2 3.94Å; L766-L790 HydrophobicContact CD1-CD1 3.55Å; L766-V1092 HydrophobicContact CD1-CG1 3.86Å; L766-V1092 HydrophobicContact CD1-CG2 4.43Å; L766-V1092 HydrophobicContact CD2-CG1 4.2Å; L766-I1104 HydrophobicContact CB-CG2 4.36Å; L766-L1105 PolarHBondContact N-O 3.47Å; L766-I1106 HydrophobicContact CB-CG1 4.39Å; L766-I1106 HydrophobicContact CD2-CD1 4.49Å; L766-I1106 CarbonylContact O-C 3.36Å; L766-I1106 VanDerWaalsContact O-CA 3.23Å; L766-I1106 WeakPolarHBondContact O-CA 3.32Å; L766-S1107 PolarHBondContact O-N 3.37Å; L766-I1133 HydrophobicContact CD2-CG2 4.11Å
767	D	98.7	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	110.4	179.5	-165.7	-5.7	0	0	0	108.6	H731 G773 Y787 L788 S789 L790 S1107	H731-D767 IonicContact CG-OD2 2.65Å; H731-D767 IonicContact ND1-OD1 3.5Å; H731-D767 PolarHBondContact ND1-OD1 3.01Å; H731-D767 IonicContact ND1-OD2 3.88Å; H731-D767 PolarHBondContact ND1-OD2 2.72Å; H731-D767 VanDerWaalsContact ND1-OD2 3.08Å; D767-G773 WeakPolarHBondContact OD2-CA 3.33Å; D767-Y787 HydrophobicContact CB-CD2 4.48Å; D767-Y787 HydrophobicContact CB-CE2 3.51Å; D767-Y787 PolarHBondContact OD2-OH 3.13Å; D767-L788 PolarHBondContact N-O 2.82Å; D767-S789 CarbonylContact O-C 3.58Å; D767-S789 WeakPolarHBondContact O-CA 3.45Å; D767-L790 PolarHBondContact O-N 2.87Å; D767-S1107 WeakPolarHBondContact OD1-CB 3.43Å
768	W	98.3	Very high	97.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	12%	0.117	C	C	.	.			trans	-111.5	3.5	-176.1	72.9	36.2	0	0	0	113.2	L766 I1106 S1107 A1108 G1109 Y1110 F1130 I1133 L1147	L766-W768 HydrophobicContact CD2-CE3 4.3Å; W768-I1106 HydrophobicContact CD2-CG2 3.74Å; W768-I1106 HydrophobicContact CE3-CG2 3.63Å; W768-I1106 HydrophobicContact CG-CG2 4.45Å; W768-I1106 HydrophobicContact CH2-CD1 4.27Å; W768-I1106 HydrophobicContact CH2-CG2 3.97Å; W768-I1106 HydrophobicContact CZ2-CG2 4.06Å; W768-I1106 HydrophobicContact CZ3-CD1 3.89Å; W768-I1106 HydrophobicContact CZ3-CG2 3.76Å; W768-S1107 PolarHBondContact N-O 3.45Å; W768-A1108 HydrophobicContact CZ2-CB 3.94Å; W768-G1109 PolarHBondContact NE1-O 2.86Å; W768-Y1110 AromaticContact CZ2-CE1 3.81Å; W768-Y1110 HydrophobicContact CZ2-CE1 3.81Å; W768-Y1110 AromaticContact NE1-CE1 3.72Å; W768-F1130 AromaticContact CD1-CD1 3.94Å; W768-F1130 AromaticContact CD1-CE1 3.6Å; W768-F1130 AromaticContact CD2-CD1 3.8Å; W768-F1130 HydrophobicContact CD2-CD1 3.8Å; W768-F1130 HydrophobicContact CD2-CE1 4.15Å; W768-F1130 AromaticContact CE2-CD1 3.45Å; W768-F1130 VanDerWaalsContact CE2-CD1 3.45Å; W768-F1130 AromaticContact CE2-CE1 3.95Å; W768-F1130 HydrophobicContact CE3-CD1 4.38Å; W768-F1130 HydrophobicContact CG-CD1 4.12Å; W768-F1130 AromaticContact CG-CE1 3.96Å; W768-F1130 HydrophobicContact CG-CE1 3.96Å; W768-F1130 HydrophobicContact CH2-CB 4.39Å; W768-F1130 HydrophobicContact CH2-CD1 4.37Å; W768-F1130 HydrophobicContact CZ2-CB 4.23Å; W768-F1130 AromaticContact CZ2-CD1 3.79Å; W768-F1130 HydrophobicContact CZ2-CD1 3.79Å; W768-F1130 HydrophobicContact CZ2-CG 4.44Å; W768-F1130 AromaticContact NE1-CD1 3.51Å; W768-F1130 AromaticContact NE1-CE1 3.57Å; W768-I1133 HydrophobicContact CE3-CB 4.4Å; W768-I1133 HydrophobicContact CE3-CG2 3.74Å; W768-I1133 HydrophobicContact CZ3-CB 3.99Å; W768-I1133 HydrophobicContact CZ3-CG2 3.53Å; W768-L1147 HydrophobicContact CH2-CD2 3.9Å; W768-L1147 HydrophobicContact CZ2-CD2 4.1Å
769	D	98.5	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-55.5	146.7	167.6	-165.8	-69	0	0	0	109.3	H731 H771 G1109 G1151	H731-D769 VanDerWaalsContact CE1-CB 3.45Å; H731-D769 WeakPolarHBondContact CE1-CB 3.34Å; H731-D769 IonicContact CE1-OD1 3.14Å; H731-D769 IonicContact CE1-OD2 2.73Å; H731-D769 IonicContact NE2-OD1 2.74Å; H731-D769 IonicContact NE2-OD2 2.91Å; D769-H771 PolarHBondContact O-N 2.63Å; D769-H771 WeakPolarHBondContact OD1-CB 3.49Å; D769-H771 IonicContact OD1-CE1 2.77Å; D769-H771 IonicContact OD1-CG 3.83Å; D769-H771 PolarHBondContact OD1-N 3Å; D769-H771 IonicContact OD1-ND1 2.82Å; D769-H771 PolarHBondContact OD1-ND1 3.28Å; D769-G1109 VanDerWaalsContact OD2-CA 3.22Å; D769-G1109 WeakPolarHBondContact OD2-CA 3.45Å; D769-G1151 WeakPolarHBondContact OD2-CA 3.19Å; D769-G1151 PolarHBondContact OD2-N 2.79Å
770	I	96.9	Very high	96.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-70.1	-16.8	-178	-163.3	152.7	0	0	0	112.6	H791 R792 F798 D1111 A1112 Y1123	I770-H791 CarbonylContact O-C 3.58Å; I770-H791 WeakPolarHBondContact O-CA 3.1Å; I770-H791 WeakPolarHBondContact O-CB 3.38Å; I770-R792 HydrophobicContact CD1-CB 4.31Å; I770-R792 HydrophobicContact CG1-CB 3.69Å; I770-R792 PolarHBondContact O-N 3.43Å; I770-F798 HydrophobicContact CG1-CE1 4.32Å; I770-F798 HydrophobicContact CG2-CE1 4.11Å; I770-F798 HydrophobicContact CG2-CZ 4.26Å; I770-D1111 HydrophobicContact CG2-CB 3.72Å; I770-D1111 WeakPolarHBondContact CG2-OD1 3.22Å; I770-D1111 PolarHBondContact N-OD1 3.24Å; I770-A1112 HydrophobicContact CB-CB 4.08Å; I770-A1112 HydrophobicContact CD1-CB 4.1Å; I770-A1112 HydrophobicContact CG1-CB 4.46Å; I770-Y1123 HydrophobicContact CD1-CD1 3.84Å; I770-Y1123 HydrophobicContact CD1-CD2 3.35Å; I770-Y1123 HydrophobicContact CD1-CE1 4.29Å; I770-Y1123 HydrophobicContact CD1-CE2 3.83Å; I770-Y1123 HydrophobicContact CD1-CG 3.36Å; I770-Y1123 HydrophobicContact CG1-CD2 4.18Å; I770-Y1123 HydrophobicContact CG1-CE2 4.27Å
771	H	97.5	Very high	96.3	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.037	11%	0.106	C	C	.	.	S	Bend	trans	-97.2	144.5	177.3	-44.8	89.2	0	0	0	110.7	H731 H732 D769 G773 F798 F799 D1111 L1120	H731-H771 PolarHBondContact CE1-O 2.94Å; H732-H771 VanDerWaalsContact CE1-CB 3.43Å; H732-H771 WeakPolarHBondContact CE1-CB 3.23Å; H732-H771 WeakPolarHBondContact NE2-CB 3.49Å; D769-H771 PolarHBondContact O-N 2.63Å; D769-H771 WeakPolarHBondContact OD1-CB 3.49Å; D769-H771 IonicContact OD1-CE1 2.77Å; D769-H771 IonicContact OD1-CG 3.83Å; D769-H771 PolarHBondContact OD1-N 3Å; D769-H771 IonicContact OD1-ND1 2.82Å; D769-H771 PolarHBondContact OD1-ND1 3.28Å; H771-G773 PolarHBondContact O-N 3.44Å; H771-F798 AromaticContact CD2-CE1 3.34Å; H771-F798 WeakPolarHBondContact CD2-CE1 3.42Å; H771-F798 AromaticContact CD2-CZ 3.81Å; H771-F798 AromaticContact NE2-CE1 3.64Å; H771-F798 AromaticContact NE2-CZ 3.61Å; H771-F799 HydrophobicContact CB-CD1 4.49Å; H771-F799 AromaticContact CD2-CD1 3.95Å; H771-F799 PolarHBondContact CD2-O 3.45Å; H771-D1111 IonicContact CE1-OD2 3.08Å; H771-D1111 PolarHBondContact CE1-OD2 3.41Å; H771-D1111 VanDerWaalsContact CE1-OD2 3.3Å; H771-D1111 IonicContact ND1-OD2 3.94Å; H771-D1111 PolarHBondContact ND1-OD2 2.77Å; H771-L1120 PolarHBondContact CE1-O 3.32Å
772	H	97.8	Very high	95.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.09	C	C	.	.			trans	-70.4	123.6	175.9	173	-111.2	0	0	0	111	H732 N774 H791 P800 T802 G803	H732-H772 PolarHBondContact CE1-O 3.22Å; H732-H772 VanDerWaalsContact CE1-O 3.23Å; H732-H772 PolarHBondContact ND1-O 2.82Å; H772-N774 PolarHBondContact O-N 3.36Å; H772-N774 PolarHBondContact O-OD1 3.34Å; H772-H791 HydrophobicContact CB-CB 4.14Å; H772-H791 AromaticContact CD2-CE1 3.53Å; H772-H791 AromaticContact CD2-ND1 3.64Å; H772-H791 AromaticContact CG-CE1 3.97Å; H772-P800 HydrophobicContact CB-CG 4.43Å; H772-P800 WeakPolarHBondContact O-CD 3.34Å; H772-P800 VanDerWaalsContact O-CG 3.27Å; H772-P800 WeakPolarHBondContact O-CG 3.5Å; H772-T802 WeakPolarHBondContact CB-O 3.21Å; H772-T802 PolarHBondContact ND1-OG1 2.7Å; H772-G803 PolarHBondContact ND1-N 2.93Å
773	G	98	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.			trans	-70	73.1	173.7	0	0	0	0	0	112.9	H731 D767 H771 G775 T776 K777 Y787	H731-G773 WeakPolarHBondContact ND1-CA 3.41Å; H731-G773 CarbonylContact O-C 3.59Å; D767-G773 WeakPolarHBondContact OD2-CA 3.33Å; H771-G773 PolarHBondContact O-N 3.44Å; G773-G775 VanDerWaalsContact C-N 3.28Å; G773-G775 PolarHBondContact O-N 3.4Å; G773-T776 WeakPolarHBondContact O-CA 3.2Å; G773-T776 PolarHBondContact O-N 3.38Å; G773-K777 PolarHBondContact O-N 2.9Å; G773-Y787 VanDerWaalsContact CA-OH 3.27Å; G773-Y787 WeakPolarHBondContact CA-OH 3.45Å; G773-Y787 PolarHBondContact N-OH 3.04Å; G773-Y787 VanDerWaalsContact N-OH 3.13Å; G773-Y787 PolarHBondContact O-OH 3.03Å
774	N	97	Very high	95.4	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-54.8	-38.1	-179	59.6	-72	0	0	0	113.4	H732 E734 H772 K777 P800 T802	H732-N774 WeakPolarHBondContact CA-OD1 3.49Å; H732-N774 PolarHBondContact ND1-OD1 3.36Å; H732-N774 PolarHBondContact O-ND2 3Å; E734-N774 VanDerWaalsContact CG-ND2 3.33Å; E734-N774 WeakPolarHBondContact CG-ND2 3.2Å; E734-N774 PolarHBondContact OE1-ND2 3.42Å; H772-N774 PolarHBondContact O-N 3.36Å; H772-N774 PolarHBondContact O-OD1 3.34Å; N774-K777 WeakPolarHBondContact O-CB 3.39Å; N774-P800 HydrophobicContact CB-CG 4.13Å; N774-T802 WeakPolarHBondContact CB-OG1 3.34Å
775	G	96.9	Very high	95.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-45.3	171.5	0	0	0	0	0	111.9	F614 H731 A733 G773 K777 L778	F614-G775 WeakPolarHBondContact CZ-O 3.36Å; H731-G775 WeakPolarHBondContact O-CA 3.34Å; H731-G775 PolarHBondContact O-N 3.13Å; A733-G775 WeakPolarHBondContact O-CA 3.18Å; G773-G775 VanDerWaalsContact C-N 3.28Å; G773-G775 PolarHBondContact O-N 3.4Å; G775-K777 VanDerWaalsContact C-N 3.34Å; G775-K777 PolarHBondContact O-N 3.24Å; G775-L778 WeakPolarHBondContact O-CB 3.4Å; G775-L778 PolarHBondContact O-N 3.37Å
776	T	97.5	Very high	95.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-33.9	-178.4	-48.5	0	0	0	0	112.6	H731 N745 I765 G773 L778 A779 Y787	H731-T776 WeakPolarHBondContact CA-OG1 3.49Å; H731-T776 WeakPolarHBondContact CB-OG1 3.38Å; H731-T776 PolarHBondContact O-N 3.31Å; H731-T776 PolarHBondContact O-OG1 3.08Å; N745-T776 WeakPolarHBondContact ND2-CA 3.14Å; N745-T776 PolarHBondContact ND2-N 2.7Å; N745-T776 VanDerWaalsContact ND2-N 3.1Å; N745-T776 PolarHBondContact ND2-OG1 3.32Å; I765-T776 HydrophobicContact CD1-CG2 3.66Å; I765-T776 HydrophobicContact CG2-CG2 4.12Å; G773-T776 WeakPolarHBondContact O-CA 3.2Å; G773-T776 PolarHBondContact O-N 3.38Å; T776-L778 PolarHBondContact O-N 2.97Å; T776-A779 VanDerWaalsContact O-CB 3.29Å; T776-A779 WeakPolarHBondContact O-CB 3.27Å; T776-A779 PolarHBondContact O-N 3.23Å; T776-Y787 HydrophobicContact CG2-CD2 3.41Å; T776-Y787 VanDerWaalsContact CG2-CD2 3.41Å; T776-Y787 HydrophobicContact CG2-CE2 3.39Å; T776-Y787 HydrophobicContact CG2-CG 4.37Å
777	K	95.2	Very high	95.2	Very high	32 Å²	32	19.5 Å²	19.5	14%	0.139	11%	0.113	C	C	.	.	H	α-helix	trans	-50.1	-42.7	167.8	159.7	-167.1	164.2	-147.2	0	111.8	G773 N774 G775 A779 T780 Y787 E811 L878	G773-K777 PolarHBondContact O-N 2.9Å; N774-K777 WeakPolarHBondContact O-CB 3.39Å; G775-K777 VanDerWaalsContact C-N 3.34Å; G775-K777 PolarHBondContact O-N 3.24Å; K777-A779 PolarHBondContact O-N 2.85Å; K777-T780 PolarHBondContact O-N 3.22Å; K777-T780 PolarHBondContact O-OG1 3.03Å; K777-Y787 HydrophobicContact CB-CE1 4.49Å; K777-E811 IonicContact NZ-OE1 3.41Å; K777-E811 PolarHBondContact NZ-OE1 3.3Å; K777-L878 HydrophobicContact CB-CD1 4.31Å; K777-L878 HydrophobicContact CD-CD2 4.43Å; K777-L878 HydrophobicContact CG-CD1 4.21Å; K777-L878 HydrophobicContact CG-CD2 3.9Å
778	L	93.9	Very high	95.2	Very high	61 Å²	61	19.5 Å²	19.5	32%	0.319	11%	0.113	S	C	.	.	H	α-helix	trans	-70.6	-14.2	-177.5	-60	172.9	0	0	0	113.1	F614 E734 P735 G775 T776	F614-L778 HydrophobicContact CE2-CB 4.2Å; F614-L778 HydrophobicContact CZ-CB 4.12Å; E734-L778 HydrophobicContact CB-CD1 3.91Å; E734-L778 HydrophobicContact CG-CD1 4.01Å; P735-L778 HydrophobicContact CG-CD1 4.44Å; G775-L778 WeakPolarHBondContact O-CB 3.4Å; G775-L778 PolarHBondContact O-N 3.37Å; T776-L778 PolarHBondContact O-N 2.97Å
779	A	91.3	Very high	95.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.4	176.4	0	0	0	0	0	113.7	F614 A748 L752 T776 K777 T781 L785	F614-A779 HydrophobicContact CD2-CB 4.14Å; F614-A779 HydrophobicContact CE2-CB 3.88Å; A748-A779 HydrophobicContact CB-CB 3.71Å; L752-A779 HydrophobicContact CD1-CB 4.17Å; T776-A779 VanDerWaalsContact O-CB 3.29Å; T776-A779 WeakPolarHBondContact O-CB 3.27Å; T776-A779 PolarHBondContact O-N 3.23Å; K777-A779 PolarHBondContact O-N 2.85Å; A779-T781 PolarHBondContact O-N 3.34Å; A779-L785 HydrophobicContact CB-CD2 4.05Å; A779-L785 WeakPolarHBondContact O-CD2 3.41Å
780	T	90.3	Very high	95.1	Very high	15 Å²	15	19.5 Å²	19.5	9%	0.092	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	16.5	-174.9	72.1	0	0	0	0	114.8	K777 H782 Y787 Q877	K777-T780 PolarHBondContact O-N 3.22Å; K777-T780 PolarHBondContact O-OG1 3.03Å; T780-H782 VanDerWaalsContact C-N 3.28Å; T780-H782 PolarHBondContact O-N 2.84Å; T780-Y787 HydrophobicContact CG2-CG 4.45Å; T780-Q877 PolarHBondContact O-NE2 2.92Å
781	T	85.5	Confident	95.1	Very high	119 Å²	119	19.5 Å²	19.5	73%	0.73	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.8	173	52.2	0	0	0	0	113.2	A779	A779-T781 PolarHBondContact O-N 3.34Å
782	H	88.9	Confident	95	Very high	54 Å²	54	20.2 Å²	20.2	25%	0.25	12%	0.116	C	C	.	.	S	Bend	trans	-87.1	126.6	176.9	-171.1	-88.8	0	0	0	111.5	L752 T780 G784 L785 Q877	L752-H782 HydrophobicContact CD2-CB 3.9Å; T780-H782 VanDerWaalsContact C-N 3.28Å; T780-H782 PolarHBondContact O-N 2.84Å; H782-G784 PolarHBondContact ND1-N 3.32Å; H782-G784 VanDerWaalsContact ND1-N 3.15Å; H782-G784 PolarHBondContact O-N 2.78Å; H782-G784 VanDerWaalsContact O-N 3.1Å; H782-L785 HydrophobicContact CB-CB 4.5Å; H782-L785 WeakPolarHBondContact O-CB 3.37Å; H782-L785 PolarHBondContact O-N 2.77Å; H782-Q877 PolarHBondContact O-NE2 3.23Å
783	P	90.3	Very high	94.8	Very high	102 Å²	102	21 Å²	21	66%	0.662	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17	-172.5	26.7	-36.2	0	0	0	114.8	L785	P783-L785 VanDerWaalsContact C-N 3.33Å
784	G	94.8	Very high	94.3	Very high	9 Å²	9	21.1 Å²	21.1	9%	0.093	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	8.2	172.9	0	0	0	0	0	114.9	S761 K762 V763 H782	S761-G784 WeakPolarHBondContact O-CA 3.25Å; K762-G784 CarbonylContact C-O 3.56Å; K762-G784 WeakPolarHBondContact CA-O 3.23Å; V763-G784 PolarHBondContact N-O 3.19Å; H782-G784 PolarHBondContact ND1-N 3.32Å; H782-G784 VanDerWaalsContact ND1-N 3.15Å; H782-G784 PolarHBondContact O-N 2.78Å; H782-G784 VanDerWaalsContact O-N 3.1Å
785	L	96.7	Very high	93.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.8	179.9	-175.4	59.1	0	0	0	111	A751 L755 V763 I765 A779 H782 P783 Q877	A751-L785 HydrophobicContact CB-CD1 4.05Å; L755-L785 HydrophobicContact CD1-CB 3.92Å; L755-L785 HydrophobicContact CD1-CD1 4.4Å; V763-L785 HydrophobicContact CB-CD1 3.83Å; V763-L785 HydrophobicContact CG1-CD1 3.84Å; V763-L785 WeakPolarHBondContact O-CA 3.26Å; I765-L785 HydrophobicContact CD1-CD1 3.84Å; I765-L785 HydrophobicContact CD1-CD2 4.3Å; I765-L785 HydrophobicContact CG1-CD1 3.93Å; A779-L785 HydrophobicContact CB-CD2 4.05Å; A779-L785 WeakPolarHBondContact O-CD2 3.41Å; H782-L785 HydrophobicContact CB-CB 4.5Å; H782-L785 WeakPolarHBondContact O-CB 3.37Å; H782-L785 PolarHBondContact O-N 2.77Å; P783-L785 VanDerWaalsContact C-N 3.33Å; L785-Q877 PolarHBondContact O-NE2 3Å
786	V	97.3	Very high	93.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.2	163.1	173.8	0	0	0	0	108.1	V763 L764 I765 Q877 F1099 W1236	V763-V786 PolarHBondContact O-N 2.68Å; L764-V786 CarbonylContact C-O 3.12Å; L764-V786 WeakPolarHBondContact CA-O 3.49Å; L764-V786 HydrophobicContact CD1-CB 3.98Å; L764-V786 HydrophobicContact CD1-CG1 3.73Å; I765-V786 PolarHBondContact N-O 2.84Å; V786-Q877 CarbonylContact C-O 3.51Å; V786-Q877 WeakPolarHBondContact CA-O 3.36Å; V786-F1099 HydrophobicContact CB-CD1 4.41Å; V786-F1099 HydrophobicContact CB-CE1 4.15Å; V786-F1099 HydrophobicContact CB-CE2 4.45Å; V786-F1099 HydrophobicContact CB-CZ 4.17Å; V786-F1099 HydrophobicContact CG2-CD1 4.25Å; V786-F1099 HydrophobicContact CG2-CD2 3.72Å; V786-F1099 HydrophobicContact CG2-CE1 4.02Å; V786-F1099 HydrophobicContact CG2-CE2 3.46Å; V786-F1099 VanDerWaalsContact CG2-CE2 3.46Å; V786-F1099 HydrophobicContact CG2-CG 4.12Å; V786-F1099 HydrophobicContact CG2-CZ 3.62Å; V786-W1236 HydrophobicContact CG1-CZ2 4.38Å; V786-W1236 HydrophobicContact CG2-CH2 4.39Å; V786-W1236 HydrophobicContact CG2-CZ2 4.39Å
787	Y	97.9	Very high	93.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.2	172.8	173.5	-104.5	0	0	0	108.9	I765 D767 G773 T776 K777 T780 S789 Q877 L878 I879	I765-Y787 HydrophobicContact CB-CD2 3.96Å; I765-Y787 HydrophobicContact CG2-CD2 3.74Å; I765-Y787 HydrophobicContact CG2-CE2 4.13Å; I765-Y787 WeakPolarHBondContact O-CA 3.26Å; D767-Y787 HydrophobicContact CB-CD2 4.48Å; D767-Y787 HydrophobicContact CB-CE2 3.51Å; D767-Y787 PolarHBondContact OD2-OH 3.13Å; G773-Y787 VanDerWaalsContact CA-OH 3.27Å; G773-Y787 WeakPolarHBondContact CA-OH 3.45Å; G773-Y787 PolarHBondContact N-OH 3.04Å; G773-Y787 VanDerWaalsContact N-OH 3.13Å; G773-Y787 PolarHBondContact O-OH 3.03Å; T776-Y787 HydrophobicContact CG2-CD2 3.41Å; T776-Y787 VanDerWaalsContact CG2-CD2 3.41Å; T776-Y787 HydrophobicContact CG2-CE2 3.39Å; T776-Y787 HydrophobicContact CG2-CG 4.37Å; K777-Y787 HydrophobicContact CB-CE1 4.49Å; T780-Y787 HydrophobicContact CG2-CG 4.45Å; Y787-S789 WeakPolarHBondContact OH-CB 3.46Å; Y787-S789 PolarHBondContact OH-OG 3.44Å; Y787-Q877 PolarHBondContact N-O 3.29Å; Y787-L878 HydrophobicContact CD1-CD1 3.64Å; Y787-L878 HydrophobicContact CE1-CD1 4.19Å; Y787-I879 PolarHBondContact O-N 3.06Å
788	L	97.9	Very high	93	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.6	176.6	-167.9	167	0	0	0	108.9	L764 I765 L766 D767 L790 I879 I881 I1091 V1092 V1095	L764-L788 HydrophobicContact CD1-CB 4.44Å; I765-L788 PolarHBondContact O-N 2.81Å; L766-L788 HydrophobicContact CD1-CD2 3.94Å; D767-L788 PolarHBondContact N-O 2.82Å; L788-L790 HydrophobicContact CD2-CD1 3.61Å; L788-L790 HydrophobicContact CD2-CG 4.2Å; L788-I879 VanDerWaalsContact CA-O 3.29Å; L788-I879 WeakPolarHBondContact CA-O 3.37Å; L788-I879 HydrophobicContact CB-CB 4.37Å; L788-I879 HydrophobicContact CD1-CG2 4.29Å; L788-I879 HydrophobicContact CG-CB 4.02Å; L788-I879 HydrophobicContact CG-CG2 3.98Å; L788-I881 HydrophobicContact CD2-CD1 4.01Å; L788-I881 HydrophobicContact CD2-CG1 4.26Å; L788-I1091 HydrophobicContact CD1-CG2 4.18Å; L788-V1092 HydrophobicContact CD1-CB 4.32Å; L788-V1092 HydrophobicContact CD1-CG1 4.31Å; L788-V1092 HydrophobicContact CD1-CG2 4.06Å; L788-V1092 HydrophobicContact CD2-CG2 3.85Å; L788-V1095 HydrophobicContact CD1-CB 4.33Å; L788-V1095 HydrophobicContact CD1-CG1 4.19Å
789	S	98.3	Very high	93	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.2	-177.6	-176.9	0	0	0	0	113	D767 Y787 H791 I879 I881	D767-S789 CarbonylContact O-C 3.58Å; D767-S789 WeakPolarHBondContact O-CA 3.45Å; Y787-S789 WeakPolarHBondContact OH-CB 3.46Å; Y787-S789 PolarHBondContact OH-OG 3.44Å; S789-H791 PolarHBondContact OG-ND1 3.12Å; S789-I879 PolarHBondContact N-O 2.54Å; S789-I881 WeakPolarHBondContact O-CB 3.36Å; S789-I881 PolarHBondContact O-N 3.17Å
790	L	97.4	Very high	93.2	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	18%	0.181	C	C	.	.			trans	-121.9	73.7	177.9	-62.6	98	0	0	0	112.2	L766 D767 L788 I881 Y1084 A1087 V1092	L766-L790 HydrophobicContact CD1-CD1 3.55Å; D767-L790 PolarHBondContact O-N 2.87Å; L788-L790 HydrophobicContact CD2-CD1 3.61Å; L788-L790 HydrophobicContact CD2-CG 4.2Å; L790-I881 HydrophobicContact CD2-CD1 3.89Å; L790-I881 HydrophobicContact CG-CB 4.24Å; L790-I881 HydrophobicContact CG-CD1 3.94Å; L790-I881 HydrophobicContact CG-CG1 4.41Å; L790-Y1084 HydrophobicContact CB-CE1 4.02Å; L790-Y1084 HydrophobicContact CD2-CD1 4.18Å; L790-Y1084 HydrophobicContact CD2-CE1 4.35Å; L790-Y1084 PolarHBondContact O-OH 2.96Å; L790-A1087 HydrophobicContact CD2-CB 3.62Å; L790-V1092 HydrophobicContact CD1-CG2 4.25Å; L790-V1092 HydrophobicContact CD2-CG2 4.38Å
791	H	96.9	Very high	93.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.183	C	C	.	.			trans	-113.3	154	-169.4	55.7	-95.9	0	0	0	113.1	I770 H772 S789 Y793 G803 I881 W883	I770-H791 CarbonylContact O-C 3.58Å; I770-H791 WeakPolarHBondContact O-CA 3.1Å; I770-H791 WeakPolarHBondContact O-CB 3.38Å; H772-H791 HydrophobicContact CB-CB 4.14Å; H772-H791 AromaticContact CD2-CE1 3.53Å; H772-H791 AromaticContact CD2-ND1 3.64Å; H772-H791 AromaticContact CG-CE1 3.97Å; S789-H791 PolarHBondContact OG-ND1 3.12Å; H791-Y793 PolarHBondContact O-N 2.88Å; H791-G803 PolarHBondContact CE1-O 3.26Å; H791-G803 PolarHBondContact NE2-O 2.94Å; H791-G803 VanDerWaalsContact NE2-O 3.12Å; H791-I881 PolarHBondContact N-O 3.41Å; H791-W883 VanDerWaalsContact O-CD1 3.22Å; H791-W883 PolarHBondContact O-N 3.19Å
792	R	94.9	Very high	93.7	Very high	23 Å²	23	26 Å²	26	9%	0.087	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-71.2	122.5	165.2	-177.9	175.3	174.9	-151.9	-16.5	108.4	I770 D794 F798 E1118 G1121 Y1123	I770-R792 HydrophobicContact CD1-CB 4.31Å; I770-R792 HydrophobicContact CG1-CB 3.69Å; I770-R792 PolarHBondContact O-N 3.43Å; R792-D794 IonicContact CZ-OD2 2.73Å; R792-D794 VanDerWaalsContact CZ-OD2 3.24Å; R792-D794 IonicContact NE-OD1 2.69Å; R792-D794 IonicContact NE-OD2 3.41Å; R792-D794 PolarHBondContact NE-OD2 3.47Å; R792-D794 IonicContact NH2-OD2 2.63Å; R792-D794 PolarHBondContact NH2-OD2 3.47Å; R792-F798 HydrophobicContact CB-CD1 3.69Å; R792-F798 HydrophobicContact CB-CE1 4.01Å; R792-F798 HydrophobicContact CB-CG 4.12Å; R792-F798 HydrophobicContact CG-CB 4.03Å; R792-F798 HydrophobicContact CG-CD1 3.88Å; R792-F798 HydrophobicContact CG-CD2 4.23Å; R792-F798 HydrophobicContact CG-CE1 4.41Å; R792-F798 HydrophobicContact CG-CG 3.76Å; R792-F798 VanDerWaalsContact NH1-CE2 3.35Å; R792-F798 VanDerWaalsContact O-CD1 3.31Å; R792-F798 WeakPolarHBondContact O-CD1 3.39Å; R792-E1118 PolarHBondContact NH1-O 3.03Å; R792-G1121 PolarHBondContact NH1-O 3.12Å; R792-Y1123 HydrophobicContact CB-CE1 4.42Å; R792-Y1123 HydrophobicContact CB-CE2 4.36Å; R792-Y1123 HydrophobicContact CG-CE1 4.23Å
793	Y	93.4	Very high	94	Very high	16 Å²	16	23.7 Å²	23.7	6%	0.063	15%	0.152	C	C	.	.			trans	-109.8	-41.8	-177.6	178.7	-117	0	0	0	111.8	H791 G795 G796 T797 F798 G801 S804 A882 W883 E884	H791-Y793 PolarHBondContact O-N 2.88Å; Y793-G795 VanDerWaalsContact C-N 3.34Å; Y793-G795 PolarHBondContact O-N 3.47Å; Y793-G796 PolarHBondContact O-N 3.37Å; Y793-T797 PolarHBondContact O-N 3.25Å; Y793-F798 PolarHBondContact O-N 2.95Å; Y793-G801 WeakPolarHBondContact CE2-O 3.33Å; Y793-S804 WeakPolarHBondContact OH-CB 3.26Å; Y793-A882 HydrophobicContact CD1-CB 4.14Å; Y793-A882 HydrophobicContact CG-CB 3.98Å; Y793-W883 PolarHBondContact N-O 3.42Å; Y793-E884 WeakPolarHBondContact CD1-OE1 3.37Å
794	D	89.1	Confident	94.1	Very high	3 Å²	3	20 Å²	20	2%	0.016	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	39.9	59.6	-178.6	-68.2	1.8	0	0	0	111.8	R792 G796 T797 F798 W883 N885 N888	R792-D794 IonicContact CZ-OD2 2.73Å; R792-D794 VanDerWaalsContact CZ-OD2 3.24Å; R792-D794 IonicContact NE-OD1 2.69Å; R792-D794 IonicContact NE-OD2 3.41Å; R792-D794 PolarHBondContact NE-OD2 3.47Å; R792-D794 IonicContact NH2-OD2 2.63Å; R792-D794 PolarHBondContact NH2-OD2 3.47Å; D794-G796 PolarHBondContact O-N 3.19Å; D794-G796 VanDerWaalsContact O-N 3.13Å; D794-T797 WeakPolarHBondContact O-CB 2.96Å; D794-T797 WeakPolarHBondContact O-CG2 3.08Å; D794-T797 PolarHBondContact O-N 3.41Å; D794-T797 PolarHBondContact O-OG1 2.9Å; D794-F798 HydrophobicContact CB-CB 4.35Å; D794-W883 PolarHBondContact N-O 2.69Å; D794-W883 VanDerWaalsContact N-O 3.07Å; D794-N885 HydrophobicContact CB-CB 4.3Å; D794-N885 VanDerWaalsContact CG-CB 3.47Å; D794-N885 WeakPolarHBondContact OD1-CB 3.38Å; D794-N885 PolarHBondContact OD1-N 2.98Å; D794-N888 PolarHBondContact O-ND2 3.12Å
795	G	86	Confident	93.9	Very high	36 Å²	36	20.5 Å²	20.5	37%	0.371	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	55.3	29.6	178.6	0	0	0	0	0	115.4	Y793 E884	Y793-G795 VanDerWaalsContact C-N 3.34Å; Y793-G795 PolarHBondContact O-N 3.47Å; G795-E884 WeakPolarHBondContact CA-OE2 3.5Å; G795-E884 PolarHBondContact N-OE2 3.34Å
796	G	89.7	Confident	92.9	Very high	22 Å²	22	23 Å²	23	23%	0.227	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	82.4	9.6	-175.3	0	0	0	0	0	114.8	Y793 D794 G801	Y793-G796 PolarHBondContact O-N 3.37Å; D794-G796 PolarHBondContact O-N 3.19Å; D794-G796 VanDerWaalsContact O-N 3.13Å; G796-G801 WeakPolarHBondContact CA-O 3.29Å; G796-G801 WeakPolarHBondContact O-CA 3.42Å
797	T	90.9	Very high	91.2	Very high	97 Å²	97	25.7 Å²	25.7	60%	0.595	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-12.7	-178.4	70	0	0	0	0	114.2	Y793 D794	Y793-T797 PolarHBondContact O-N 3.25Å; D794-T797 WeakPolarHBondContact O-CB 2.96Å; D794-T797 WeakPolarHBondContact O-CG2 3.08Å; D794-T797 PolarHBondContact O-N 3.41Å; D794-T797 PolarHBondContact O-OG1 2.9Å
798	F	91.5	Very high	88.3	Confident	15 Å²	15	29.8 Å²	29.8	7%	0.066	19%	0.19	C	C	.	.	S	Bend	trans	-95.5	145.5	171.2	-166.9	-101	0	0	0	111.1	I770 H771 R792 Y793 D794 G801	I770-F798 HydrophobicContact CG1-CE1 4.32Å; I770-F798 HydrophobicContact CG2-CE1 4.11Å; I770-F798 HydrophobicContact CG2-CZ 4.26Å; H771-F798 AromaticContact CD2-CE1 3.34Å; H771-F798 WeakPolarHBondContact CD2-CE1 3.42Å; H771-F798 AromaticContact CD2-CZ 3.81Å; H771-F798 AromaticContact NE2-CE1 3.64Å; H771-F798 AromaticContact NE2-CZ 3.61Å; R792-F798 HydrophobicContact CB-CD1 3.69Å; R792-F798 HydrophobicContact CB-CE1 4.01Å; R792-F798 HydrophobicContact CB-CG 4.12Å; R792-F798 HydrophobicContact CG-CB 4.03Å; R792-F798 HydrophobicContact CG-CD1 3.88Å; R792-F798 HydrophobicContact CG-CD2 4.23Å; R792-F798 HydrophobicContact CG-CE1 4.41Å; R792-F798 HydrophobicContact CG-CG 3.76Å; R792-F798 VanDerWaalsContact NH1-CE2 3.35Å; R792-F798 VanDerWaalsContact O-CD1 3.31Å; R792-F798 WeakPolarHBondContact O-CD1 3.39Å; Y793-F798 PolarHBondContact O-N 2.95Å; D794-F798 HydrophobicContact CB-CB 4.35Å; F798-G801 VanDerWaalsContact O-CA 3.29Å; F798-G801 WeakPolarHBondContact O-CA 3.39Å; F798-G801 PolarHBondContact O-N 3.24Å
799	F	93.5	Very high	85.1	Confident	80 Å²	80	34.3 Å²	34.3	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	138.6	-173.6	-177.8	-90.9	0	0	0	112.2	H732 M739 H771	H732-F799 AromaticContact CD2-CE1 3.84Å; H732-F799 AromaticContact CE1-CE1 3.8Å; H732-F799 AromaticContact NE2-CE1 3.57Å; M739-F799 HydrophobicContact CE-CE2 4.24Å; M739-F799 HydrophobicContact CE-CZ 3.83Å; H771-F799 HydrophobicContact CB-CD1 4.49Å; H771-F799 AromaticContact CD2-CD1 3.95Å; H771-F799 PolarHBondContact CD2-O 3.45Å
800	P	95.6	Very high	82	Confident	26 Å²	26	40.3 Å²	40.3	17%	0.169	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.5	22.7	2.4	38.2	-37	0	0	0	114.1	M739 H772 N774 T802	M739-P800 HydrophobicContact CE-CB 3.92Å; H772-P800 HydrophobicContact CB-CG 4.43Å; H772-P800 WeakPolarHBondContact O-CD 3.34Å; H772-P800 VanDerWaalsContact O-CG 3.27Å; H772-P800 WeakPolarHBondContact O-CG 3.5Å; N774-P800 HydrophobicContact CB-CG 4.13Å; P800-T802 PolarHBondContact O-N 2.82Å
801	G	92.5	Very high	79	Confident	14 Å²	14	47.1 Å²	47.1	14%	0.144	28%	0.277	C	S	.	.	S	Bend	trans	77.5	-6.4	-179.8	0	0	0	0	0	115.3	Y793 G796 F798	Y793-G801 WeakPolarHBondContact CE2-O 3.33Å; G796-G801 WeakPolarHBondContact CA-O 3.29Å; G796-G801 WeakPolarHBondContact O-CA 3.42Å; F798-G801 VanDerWaalsContact O-CA 3.29Å; F798-G801 WeakPolarHBondContact O-CA 3.39Å; F798-G801 PolarHBondContact O-N 3.24Å
802	T	94.9	Very high	75.8	Confident	44 Å²	44	53.9 Å²	53.9	27%	0.27	31%	0.313	S	S	.	.			trans	-103.1	172.7	178.3	64	0	0	0	0	111.6	H772 N774 P800	H772-T802 WeakPolarHBondContact CB-O 3.21Å; H772-T802 PolarHBondContact ND1-OG1 2.7Å; N774-T802 WeakPolarHBondContact CB-OG1 3.34Å; P800-T802 PolarHBondContact O-N 2.82Å
803	G	94.1	Very high	72.7	Confident	6 Å²	6	59.4 Å²	59.4	6%	0.062	34%	0.34	C	S	.	.			trans	110.9	9.1	176	0	0	0	0	0	115.7	H772 H791 N880	H772-G803 PolarHBondContact ND1-N 2.93Å; H791-G803 PolarHBondContact CE1-O 3.26Å; H791-G803 PolarHBondContact NE2-O 2.94Å; H791-G803 VanDerWaalsContact NE2-O 3.12Å; G803-N880 WeakPolarHBondContact O-CB 3.46Å; G803-N880 PolarHBondContact O-ND2 2.89Å
804	S	93.2	Very high	69.7	Low	25 Å²	25	64.6 Å²	64.6	18%	0.175	38%	0.379	C	S	.	.			trans	-54.4	148.4	-179.2	79.3	0	0	0	0	113.7	Y793 S806 N807 N880	Y793-S804 WeakPolarHBondContact OH-CB 3.26Å; S804-S806 PolarHBondContact O-N 2.9Å; S804-N807 PolarHBondContact O-N 3.37Å; S804-N807 PolarHBondContact OG-N 2.8Å; S804-N880 PolarHBondContact O-ND2 3.09Å
805	V	90.7	Very high	66.9	Low	18 Å²	18	69.1 Å²	69.1	11%	0.109	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.9	-179	-175.8	0	0	0	0	112.7	A882 T1226 H1230	V805-A882 HydrophobicContact CG2-CB 3.91Å; V805-T1226 HydrophobicContact CG1-CG2 4.3Å; V805-H1230 HydrophobicContact CG1-CB 3.91Å
806	S	74.8	Confident	64.1	Low	55 Å²	55	78.4 Å²	78.4	39%	0.385	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.8	-175.9	56.9	0	0	0	0	114.3	S804 C808	S804-S806 PolarHBondContact O-N 2.9Å; S806-C808 PolarHBondContact O-N 3.09Å; S806-C808 PolarHBondContact O-SG 2.85Å
807	N	62.8	Low	61	Low	56 Å²	56	82 Å²	82	30%	0.299	46%	0.457	S	S	.	.			trans	55	11.6	-172.3	-67.8	-67.5	0	0	0	115.4	S804 T809 L878 N880	S804-N807 PolarHBondContact O-N 3.37Å; S804-N807 PolarHBondContact OG-N 2.8Å; N807-T809 PolarHBondContact O-N 3.05Å; N807-L878 VanDerWaalsContact OD1-CD2 3.26Å; N807-L878 WeakPolarHBondContact OD1-CD2 3.42Å; N807-N880 PolarHBondContact OD1-ND2 2.97Å
808	C	36.8	Very low	58.1	Low	86 Å²	86	84.4 Å²	84.4	58%	0.581	47%	0.466	S	S	*	.			trans	-91	104.5	-175.3	-64.9	0	0	0	0	112.9	S806	S806-C808 PolarHBondContact O-N 3.09Å; S806-C808 PolarHBondContact O-SG 2.85Å
809	T	29.6	Very low	55	Low	95 Å²	95	88.7 Å²	88.7	58%	0.583	50%	0.498	S	S	*	.			trans	54.6	76.2	147.3	60.7	0	0	0	0	118.5	N807	N807-T809 PolarHBondContact O-N 3.05Å
810	E	33	Very low	51.9	Low	127 Å²	127	90.9 Å²	90.9	59%	0.593	52%	0.522	S	S	*	.	S	Bend	trans	-103.8	-24.6	149.3	-65.4	-159	151.2	0	0	112.8	N812 Q813	E810-N812 PolarHBondContact O-N 3.01Å; E810-Q813 PolarHBondContact O-N 3.15Å
811	E	34.5	Very low	48.7	Very low	145 Å²	145	96.8 Å²	96.8	68%	0.678	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	12.9	178.4	-62.8	166.3	-157.8	0	0	115.4	K777	K777-E811 IonicContact NZ-OE1 3.41Å; K777-E811 PolarHBondContact NZ-OE1 3.3Å
812	N	30.1	Very low	45.6	Very low	142 Å²	142	101.3 Å²	101.3	76%	0.759	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.4	3	178.9	-101.3	-84.5	0	0	0	116.1	E810	E810-N812 PolarHBondContact O-N 3.01Å
813	Q	29.8	Very low	42.5	Very low	139 Å²	139	106.5 Å²	106.5	65%	0.65	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-8.2	-172	-64.2	-159	15.2	0	0	116.7	E810 S815	E810-Q813 PolarHBondContact O-N 3.15Å; Q813-S815 PolarHBondContact O-N 3.04Å
814	S	30.6	Very low	39.3	Very low	126 Å²	126	115 Å²	115	88%	0.881	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	5.7	-179.3	56.4	0	0	0	0	115.9
815	S	30.1	Very low	36.3	Very low	98 Å²	98	120.3 Å²	120.3	69%	0.685	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	0.8	-172.3	63.9	0	0	0	0	116.2	Q813	Q813-S815 PolarHBondContact O-N 3.04Å
816	R	27	Very low	33.2	Very low	230 Å²	230	125 Å²	125	87%	0.868	71%	0.71	S	S	*	*			trans	-138.6	105.6	177.3	-74.3	-170.2	173.6	160.9	1.3	113.6
817	S	24.7	Very low	30.9	Very low	99 Å²	99	129.2 Å²	129.2	69%	0.692	73%	0.734	S	S	*	*			trans	-75.9	162.5	163.8	49.9	0	0	0	0	112.2
818	N	29.9	Very low	29.2	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	76%	0.755	S	S	*	*			trans	85	108.4	169.7	-51.2	-29.9	0	0	0	118.1
819	S	27.9	Very low	28.8	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	77%	0.766	S	S	*	*			trans	49.7	117	137.8	62.7	0	0	0	0	120.5
820	C	28.5	Very low	28.6	Very low	127 Å²	127	135.9 Å²	135.9	86%	0.858	78%	0.776	S	S	*	*				-175.3	156.7	94.7	-93.9	0	0	0	0	112.3
821	D	26.6	Very low	28.2	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	78%	0.781	S	S	*	*			trans	-76.3	165.6	169.4	-66.4	-79.1	0	0	0	112.5
822	S	28	Very low	27.8	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	79%	0.788	S	S	*	*			trans	57.2	119.8	169	50	0	0	0	0	116.2
823	D	30.6	Very low	27.5	Very low	153 Å²	153	131.4 Å²	131.4	82%	0.818	79%	0.785	S	S	*	*				-162.7	167.6	63.7	-119.1	-27.4	0	0	0	114.2
824	H	27.4	Very low	27.4	Very low	184 Å²	184	130.8 Å²	130.8	85%	0.852	79%	0.79	S	S	*	*			trans	-79.6	115.6	174.5	-73	-79.6	0	0	0	112.8
825	T	28.6	Very low	27.2	Very low	138 Å²	138	129.3 Å²	129.3	85%	0.847	78%	0.78	S	S	*	*			trans	-149.7	156.4	150.4	24.5	0	0	0	0	111.9
826	S	25.3	Very low	27.1	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	79%	0.788	S	S	*	*			trans	-85.3	129.2	-176	54.7	0	0	0	0	113.2
827	T	27.4	Very low	27.2	Very low	143 Å²	143	125.4 Å²	125.4	88%	0.877	78%	0.775	S	S	*	*			trans	-131.4	141	162	41.1	0	0	0	0	110.9
828	T	26.8	Very low	27.4	Very low	120 Å²	120	127.7 Å²	127.7	74%	0.736	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-81.1	149.1	179.4	45.9	0	0	0	0	111.5	V830	T828-V830 PolarHBondContact O-N 2.83Å
829	P	28.7	Very low	27.4	Very low	126 Å²	126	128.9 Å²	128.9	82%	0.818	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-61.1	133.4	169.3	27.8	-34.1	0	0	0	110	A831	P829-A831 PolarHBondContact O-N 2.85Å
830	V	25.2	Very low	27.5	Very low	131 Å²	131	129.2 Å²	129.2	79%	0.794	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.1	117.6	-177.7	175.7	0	0	0	0	109.5	T828	T828-V830 PolarHBondContact O-N 2.83Å
831	A	25	Very low	27.4	Very low	84 Å²	84	128.5 Å²	128.5	69%	0.694	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-70.8	127.9	163.5	0	0	0	0	0	108.9	P829 S833	P829-A831 PolarHBondContact O-N 2.85Å; A831-S833 VanDerWaalsContact C-N 3.28Å; A831-S833 PolarHBondContact O-N 2.81Å
832	V	25.1	Very low	27.5	Very low	135 Å²	135	128.4 Å²	128.4	82%	0.818	78%	0.778	S	S	*	*			trans	-73.7	85.9	174.4	-178.4	0	0	0	0	108.8	V834	V832-V834 PolarHBondContact O-N 2.97Å
833	S	24.1	Very low	27.5	Very low	100 Å²	100	130.5 Å²	130.5	70%	0.699	77%	0.773	S	S	*	*			trans	-73.4	104.4	170.5	57.1	0	0	0	0	109.5	A831 S835	A831-S833 VanDerWaalsContact C-N 3.28Å; A831-S833 PolarHBondContact O-N 2.81Å; S833-S835 PolarHBondContact O-N 3.09Å
834	V	27.1	Very low	27.3	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	78%	0.776	S	S	*	*			trans	-65.4	102.4	164.4	179.7	0	0	0	0	107.3	V832 D836	V832-V834 PolarHBondContact O-N 2.97Å; V834-D836 PolarHBondContact O-N 3.36Å
835	S	28.1	Very low	27.2	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	77%	0.771	S	S	*	*			trans	-90.3	92.8	-173.6	58.7	0	0	0	0	111.3	S833 S837	S833-S835 PolarHBondContact O-N 3.09Å; S835-S837 PolarHBondContact O-N 3.13Å
836	D	27.3	Very low	27.3	Very low	162 Å²	162	131.6 Å²	131.6	87%	0.866	77%	0.766	S	S	*	*			trans	-57.3	108.2	168	-81.5	-39.3	0	0	0	110.4	V834	V834-D836 PolarHBondContact O-N 3.36Å
837	S	29.4	Very low	27.5	Very low	85 Å²	85	134.6 Å²	134.6	59%	0.594	76%	0.764	S	S	*	*			trans	-153.7	135.3	167.4	59.2	0	0	0	0	113.1	S835	S835-S837 PolarHBondContact O-N 3.13Å
838	N	28.3	Very low	27.6	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	76%	0.758	S	S	*	*			trans	81.1	101.6	171.4	-44.4	-60.5	0	0	0	117.2
839	I	30.4	Very low	27.8	Very low	172 Å²	172	134.7 Å²	134.7	88%	0.882	76%	0.755	S	S	*	*				-154.2	155.1	91.3	-96	157.7	0	0	0	109.8
840	S	30.4	Very low	28	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	75%	0.753	S	S	*	*			trans	-80.2	146.2	-163.2	52.5	0	0	0	0	115.6
841	S	25.9	Very low	28.3	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	75%	0.75	S	S	*	*			trans	-72	131.2	165	55.7	0	0	0	0	113.1
842	E	28	Very low	28.5	Very low	148 Å²	148	136.8 Å²	136.8	69%	0.692	76%	0.755	S	S	*	*			trans	-173.9	135.5	136.8	-109.9	-165.3	162.9	0	0	112.1
843	K	28.6	Very low	28.7	Very low	152 Å²	152	138 Å²	138	66%	0.661	76%	0.756	S	S	*	*			trans	60.6	122.1	158.2	-58.8	153.8	-174.9	151.6	0	116
844	F	26.9	Very low	29	Very low	199 Å²	199	142.4 Å²	142.4	87%	0.873	77%	0.765	S	S	*	*				-152.5	159.7	50.8	-119.6	-88.6	0	0	0	113.5
845	N	25.8	Very low	29.1	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	77%	0.769	S	S	*	*			trans	-87.2	141	171	-49.6	-25.9	0	0	0	110.5
846	H	29	Very low	29.2	Very low	159 Å²	159	144.7 Å²	144.7	74%	0.736	77%	0.767	S	S	*	*				170.6	154.7	104.7	-118	-63.6	0	0	0	113.4
847	F	29.8	Very low	29.1	Very low	180 Å²	180	144.7 Å²	144.7	79%	0.789	77%	0.767	S	S	*	*			trans	77.6	102.9	164.8	-72.2	-69.9	0	0	0	119.2
848	D	29.6	Very low	29.2	Very low	140 Å²	140	147 Å²	147	75%	0.749	77%	0.772	S	S	*	*			trans	-61.1	164.8	152.4	-39.9	-92.2	0	0	0	110
849	D	32	Very low	29.3	Very low	124 Å²	124	146.9 Å²	146.9	66%	0.663	77%	0.771	S	S	*	*			cis	-163.5	156.3	49.4	-130.2	-21.4	0	0	0	115.7
850	H	33	Very low	29.3	Very low	168 Å²	168	147.2 Å²	147.2	78%	0.778	77%	0.766	S	S	*	*			trans	53.3	134.1	154.8	-66.2	8	0	0	0	120.6
851	S	31.3	Very low	29.2	Very low	105 Å²	105	148.9 Å²	148.9	73%	0.734	77%	0.766	S	S	*	*			cis	-155.6	155.7	2	57.6	0	0	0	0	114.6
852	S	28	Very low	29.5	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	77%	0.765	S	S	*	*			trans	43.4	93.2	160.6	59.7	0	0	0	0	119.5
853	N	30.7	Very low	29.6	Very low	159 Å²	159	151 Å²	151	85%	0.85	77%	0.766	S	S	*	*			trans	-137.3	109.7	159	-143.2	-22.6	0	0	0	109.7	K855	N853-K855 PolarHBondContact O-N 3.38Å
854	H	30.4	Very low	29.7	Very low	193 Å²	193	152.7 Å²	152.7	89%	0.894	77%	0.773	S	S	*	*			trans	-77.8	76.1	-170.1	-100.5	-60.2	0	0	0	112.9	A856	H854-A856 PolarHBondContact O-N 3.29Å; H854-A856 VanDerWaalsContact O-N 3.12Å
855	K	28.8	Very low	29.9	Very low	196 Å²	196	147.5 Å²	147.5	85%	0.852	76%	0.758	S	S	*	*			trans	-76.5	88.5	162	-79.8	-170.4	174.5	-177.4	0	110.4	N853 N857	N853-K855 PolarHBondContact O-N 3.38Å; K855-N857 PolarHBondContact O-N 2.71Å; K855-N857 VanDerWaalsContact O-N 3.1Å
856	A	29.1	Very low	30	Very low	74 Å²	74	147.8 Å²	147.8	61%	0.612	76%	0.76	S	S	*	*			trans	-75.5	92	172.8	0	0	0	0	0	110.9	H854 I858	H854-A856 PolarHBondContact O-N 3.29Å; H854-A856 VanDerWaalsContact O-N 3.12Å; A856-I858 VanDerWaalsContact C-N 3.33Å; A856-I858 HydrophobicContact CB-CG1 4.27Å; A856-I858 PolarHBondContact O-N 2.95Å
857	N	26.8	Very low	30.1	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	76%	0.762	S	S	*	*			trans	-66.9	93.1	161.8	-91.4	-3	0	0	0	108.7	K855 N859	K855-N857 PolarHBondContact O-N 2.71Å; K855-N857 VanDerWaalsContact O-N 3.1Å; N857-N859 VanDerWaalsContact C-N 3.27Å; N857-N859 PolarHBondContact O-N 2.92Å
858	I	31.5	Very low	30.3	Very low	134 Å²	134	145.9 Å²	145.9	69%	0.687	76%	0.756	S	S	*	*			trans	-76.9	82.4	177.8	-56.3	-178.9	0	0	0	109	A856 F860	A856-I858 VanDerWaalsContact C-N 3.33Å; A856-I858 HydrophobicContact CB-CG1 4.27Å; A856-I858 PolarHBondContact O-N 2.95Å; I858-F860 PolarHBondContact O-N 2.85Å
859	N	28.8	Very low	30.3	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	76%	0.756	S	S	*	*			trans	-69.1	123.3	167.2	-144.6	-11.9	0	0	0	108.2	N857 N861	N857-N859 VanDerWaalsContact C-N 3.27Å; N857-N859 PolarHBondContact O-N 2.92Å; N859-N861 VanDerWaalsContact C-N 3.29Å; N859-N861 PolarHBondContact O-N 2.77Å
860	F	30.1	Very low	30.5	Very low	179 Å²	179	144.8 Å²	144.8	79%	0.785	76%	0.759	S	S	*	*			trans	-75.2	72.9	-168.1	-103.1	-96.1	0	0	0	112.7	I858 N862	I858-F860 PolarHBondContact O-N 2.85Å; F860-N862 PolarHBondContact O-N 2.82Å
861	N	29.6	Very low	31.2	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	76%	0.757	S	S	*	*			trans	-74.1	109.5	-179.2	-95.8	-23.1	0	0	0	112.7	N859 K863	N859-N861 VanDerWaalsContact C-N 3.29Å; N859-N861 PolarHBondContact O-N 2.77Å; N861-K863 PolarHBondContact O-N 2.83Å
862	N	30.9	Very low	32.3	Very low	141 Å²	141	140.8 Å²	140.8	75%	0.754	74%	0.738	S	S	*	*	S	Bend	trans	-46.5	79.5	177.3	-67.4	-50.2	0	0	0	116.2	F860	F860-N862 PolarHBondContact O-N 2.82Å
863	K	30.7	Very low	33.7	Very low	164 Å²	164	138.5 Å²	138.5	71%	0.713	72%	0.719	S	S	*	*	S	Bend	trans	-125.1	-5.8	165.9	-113.3	-170.3	176.2	-170.4	0	115.6	D150 N861	D150-K863 IonicContact OD2-NZ 3.73Å; D150-K863 PolarHBondContact OD2-NZ 2.97Å; N861-K863 PolarHBondContact O-N 2.83Å
864	F	30.1	Very low	35.1	Very low	186 Å²	186	135.5 Å²	135.5	82%	0.816	71%	0.709	S	S	*	*	S	Bend	trans	-119	-5.4	-176.2	-105.1	-88.1	0	0	0	116.5	N866	F864-N866 VanDerWaalsContact C-N 3.27Å; F864-N866 PolarHBondContact O-N 3.46Å
865	V	32.8	Very low	36.8	Very low	90 Å²	90	129 Å²	129	55%	0.545	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-65.2	-30.1	-175.7	-177.6	0	0	0	0	112.6	N867 F868	V865-N867 VanDerWaalsContact C-N 3.26Å; V865-N867 PolarHBondContact O-N 3.4Å; V865-N867 VanDerWaalsContact O-N 3.09Å; V865-F868 PolarHBondContact O-N 2.93Å
866	N	28	Very low	39.2	Very low	148 Å²	148	119.7 Å²	119.7	79%	0.791	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-73.3	-5.5	-164.7	-64.8	-4.2	0	0	0	116	F864	F864-N866 VanDerWaalsContact C-N 3.27Å; F864-N866 PolarHBondContact O-N 3.46Å
867	N	31.3	Very low	42.1	Very low	149 Å²	149	116.6 Å²	116.6	80%	0.797	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-103.4	-4.5	174.2	-78.2	-9.7	0	0	0	114	V865	V865-N867 VanDerWaalsContact C-N 3.26Å; V865-N867 PolarHBondContact O-N 3.4Å; V865-N867 VanDerWaalsContact O-N 3.09Å
868	F	32.9	Very low	45.3	Very low	150 Å²	150	109.6 Å²	109.6	66%	0.658	58%	0.58	S	S	*	*			trans	-100	67	169.3	-93.9	-89.1	0	0	0	110.3	V865 N870	V865-F868 PolarHBondContact O-N 2.93Å; F868-N870 PolarHBondContact O-N 3.48Å
869	S	29	Very low	48.3	Very low	106 Å²	106	103.2 Å²	103.2	74%	0.741	55%	0.547	S	S	*	.			trans	-71.3	6	-176.2	56.9	0	0	0	0	115.5
870	N	37.3	Very low	51.6	Low	135 Å²	135	96.5 Å²	96.5	72%	0.722	51%	0.511	S	S	*	.			trans	-137.1	85.1	166.1	-70.2	-79.2	0	0	0	109	F868 M872	F868-N870 PolarHBondContact O-N 3.48Å; N870-M872 PolarHBondContact O-N 3.02Å
871	T	46.4	Very low	54.7	Low	120 Å²	120	88 Å²	88	74%	0.736	47%	0.473	S	S	*	.			trans	-66.3	108.8	162.2	45	0	0	0	0	108.6
872	M	54.5	Low	57.9	Low	68 Å²	68	81 Å²	81	34%	0.335	44%	0.436	S	S	.	.			trans	-55.6	139.4	168.3	-90.7	-177.6	154.7	0	0	109.6	N870 A876 W1236	N870-M872 PolarHBondContact O-N 3.02Å; M872-A876 HydrophobicContact CB-CB 4.09Å; M872-A876 HydrophobicContact CG-CB 4.12Å; M872-A876 HydrophobicContact SD-CB 4.37Å; M872-W1236 HydrophobicContact CE-CD2 3.76Å; M872-W1236 HydrophobicContact CE-CE3 3.97Å; M872-W1236 HydrophobicContact CE-CG 4.46Å; M872-W1236 HydrophobicContact CE-CH2 3.72Å; M872-W1236 HydrophobicContact CE-CZ2 3.51Å; M872-W1236 HydrophobicContact CE-CZ3 3.95Å; M872-W1236 HydrophobicContact SD-CH2 4.38Å; M872-W1236 HydrophobicContact SD-CZ2 4.09Å
873	T	58.1	Low	60.9	Low	65 Å²	65	74.3 Å²	74.3	40%	0.399	40%	0.4	S	S	.	.			trans	-66.1	151.3	172	56.5	0	0	0	0	109.1	S875 A876	T873-S875 PolarHBondContact O-N 3.03Å; T873-S875 VanDerWaalsContact O-N 3.11Å; T873-S875 PolarHBondContact OG1-OG 3.43Å; T873-A876 WeakPolarHBondContact O-CA 3.36Å; T873-A876 VanDerWaalsContact O-CB 3.27Å; T873-A876 WeakPolarHBondContact O-CB 3.37Å; T873-A876 PolarHBondContact O-N 2.93Å; T873-A876 PolarHBondContact OG1-N 3.35Å
874	P	60.9	Low	63.5	Low	97 Å²	97	69.8 Å²	69.8	63%	0.63	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-54.9	-33.5	176.1	-28.7	36.4	0	0	0	113.1	A876 Q877	P874-A876 VanDerWaalsContact C-N 3.25Å; P874-A876 PolarHBondContact O-N 3.49Å; P874-Q877 WeakPolarHBondContact O-CB 3.16Å; P874-Q877 PolarHBondContact O-N 3.29Å; P874-Q877 VanDerWaalsContact O-N 3.17Å
875	S	65	Low	65.2	Low	56 Å²	56	61.3 Å²	61.3	39%	0.392	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-68.2	-13.5	172.9	52.2	0	0	0	0	115.5	T873	T873-S875 PolarHBondContact O-N 3.03Å; T873-S875 VanDerWaalsContact O-N 3.11Å; T873-S875 PolarHBondContact OG1-OG 3.43Å
876	A	79.2	Confident	66.1	Low	0 Å²	0	59 Å²	59	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-85.3	-20.3	171.9	0	0	0	0	0	112.5	M872 T873 P874 T1234 W1236	M872-A876 HydrophobicContact CB-CB 4.09Å; M872-A876 HydrophobicContact CG-CB 4.12Å; M872-A876 HydrophobicContact SD-CB 4.37Å; T873-A876 WeakPolarHBondContact O-CA 3.36Å; T873-A876 VanDerWaalsContact O-CB 3.27Å; T873-A876 WeakPolarHBondContact O-CB 3.37Å; T873-A876 PolarHBondContact O-N 2.93Å; T873-A876 PolarHBondContact OG1-N 3.35Å; P874-A876 VanDerWaalsContact C-N 3.25Å; P874-A876 PolarHBondContact O-N 3.49Å; A876-T1234 WeakPolarHBondContact CB-O 3.15Å; A876-W1236 WeakPolarHBondContact O-CZ2 3.18Å; A876-W1236 PolarHBondContact O-NE1 3.41Å
877	Q	89.7	Confident	66.9	Low	10 Å²	10	59 Å²	59	5%	0.047	32%	0.322	C	S	.	.	S	Bend	trans	-84.9	-11.9	-175.6	-59.6	-177.5	-112.9	0	0	113.9	T780 H782 L785 V786 Y787 P874	T780-Q877 PolarHBondContact O-NE2 2.92Å; H782-Q877 PolarHBondContact O-NE2 3.23Å; L785-Q877 PolarHBondContact O-NE2 3Å; V786-Q877 CarbonylContact C-O 3.51Å; V786-Q877 WeakPolarHBondContact CA-O 3.36Å; Y787-Q877 PolarHBondContact N-O 3.29Å; P874-Q877 WeakPolarHBondContact O-CB 3.16Å; P874-Q877 PolarHBondContact O-N 3.29Å; P874-Q877 VanDerWaalsContact O-N 3.17Å
878	L	93.9	Very high	67.5	Low	15 Å²	15	55 Å²	55	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	104.8	-173.6	168.7	57.2	0	0	0	108.6	K777 Y787 N807 N880 H1231	K777-L878 HydrophobicContact CB-CD1 4.31Å; K777-L878 HydrophobicContact CD-CD2 4.43Å; K777-L878 HydrophobicContact CG-CD1 4.21Å; K777-L878 HydrophobicContact CG-CD2 3.9Å; Y787-L878 HydrophobicContact CD1-CD1 3.64Å; Y787-L878 HydrophobicContact CE1-CD1 4.19Å; N807-L878 VanDerWaalsContact OD1-CD2 3.26Å; N807-L878 WeakPolarHBondContact OD1-CD2 3.42Å; L878-N880 WeakPolarHBondContact CD1-OD1 3.48Å; L878-H1231 PolarHBondContact O-CE1 3.11Å
879	I	96.1	Very high	67.6	Low	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110	-175.6	-58.9	178.2	0	0	0	110	Y787 L788 S789 I1091 V1095 T1227 W1236	Y787-I879 PolarHBondContact O-N 3.06Å; L788-I879 VanDerWaalsContact CA-O 3.29Å; L788-I879 WeakPolarHBondContact CA-O 3.37Å; L788-I879 HydrophobicContact CB-CB 4.37Å; L788-I879 HydrophobicContact CD1-CG2 4.29Å; L788-I879 HydrophobicContact CG-CB 4.02Å; L788-I879 HydrophobicContact CG-CG2 3.98Å; S789-I879 PolarHBondContact N-O 2.54Å; I879-I1091 HydrophobicContact CG2-CG2 4.02Å; I879-V1095 HydrophobicContact CD1-CG1 3.98Å; I879-V1095 HydrophobicContact CD1-CG2 3.7Å; I879-T1227 HydrophobicContact CG2-CG2 3.95Å; I879-W1236 HydrophobicContact CD1-CZ2 3.82Å
880	N	96.7	Very high	67.8	Low	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.8	-179.4	-63.9	-23.7	0	0	0	111.1	G803 S804 N807 L878 A882 T1227	G803-N880 WeakPolarHBondContact O-CB 3.46Å; G803-N880 PolarHBondContact O-ND2 2.89Å; S804-N880 PolarHBondContact O-ND2 3.09Å; N807-N880 PolarHBondContact OD1-ND2 2.97Å; L878-N880 WeakPolarHBondContact CD1-OD1 3.48Å; N880-A882 VanDerWaalsContact C-N 3.31Å; N880-A882 PolarHBondContact O-N 3.42Å; N880-T1227 WeakPolarHBondContact O-CG2 3.17Å; N880-T1227 PolarHBondContact O-OG1 3.37Å
881	I	96.6	Very high	67.6	Low	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.314	C	S	.	.			trans	-93.1	73.6	163.9	-49.8	-174.7	0	0	0	107.1	L788 S789 L790 H791 W883 A1087 I1091 V1092 L1224 T1227	L788-I881 HydrophobicContact CD2-CD1 4.01Å; L788-I881 HydrophobicContact CD2-CG1 4.26Å; S789-I881 WeakPolarHBondContact O-CB 3.36Å; S789-I881 PolarHBondContact O-N 3.17Å; L790-I881 HydrophobicContact CD2-CD1 3.89Å; L790-I881 HydrophobicContact CG-CB 4.24Å; L790-I881 HydrophobicContact CG-CD1 3.94Å; L790-I881 HydrophobicContact CG-CG1 4.41Å; H791-I881 PolarHBondContact N-O 3.41Å; I881-W883 HydrophobicContact CG2-CD2 4.33Å; I881-W883 HydrophobicContact CG2-CE3 4.39Å; I881-W883 HydrophobicContact CG2-CH2 3.96Å; I881-W883 HydrophobicContact CG2-CZ2 3.86Å; I881-W883 HydrophobicContact CG2-CZ3 4.21Å; I881-W883 PolarHBondContact O-N 2.92Å; I881-A1087 HydrophobicContact CD1-CB 4Å; I881-A1087 HydrophobicContact CG2-CB 4.5Å; I881-I1091 HydrophobicContact CD1-CB 3.78Å; I881-I1091 HydrophobicContact CD1-CD1 3.78Å; I881-I1091 HydrophobicContact CD1-CG1 4.25Å; I881-I1091 HydrophobicContact CD1-CG2 3.82Å; I881-I1091 HydrophobicContact CG1-CD1 3.93Å; I881-I1091 HydrophobicContact CG1-CG2 4.29Å; I881-V1092 HydrophobicContact CD1-CG2 4.31Å; I881-L1224 HydrophobicContact CD1-CD2 4.37Å; I881-L1224 HydrophobicContact CG2-CD2 3.73Å; I881-T1227 HydrophobicContact CG1-CG2 4.45Å
882	A	95.2	Very high	67.3	Low	1 Å²	1	52.6 Å²	52.6	1%	0.008	30%	0.302	C	S	.	.			trans	-74.8	114	178.2	0	0	0	0	0	109.9	Y793 V805 N880 E884	Y793-A882 HydrophobicContact CD1-CB 4.14Å; Y793-A882 HydrophobicContact CG-CB 3.98Å; V805-A882 HydrophobicContact CG2-CB 3.91Å; N880-A882 VanDerWaalsContact C-N 3.31Å; N880-A882 PolarHBondContact O-N 3.42Å; A882-E884 PolarHBondContact O-N 3Å
883	W	94.2	Very high	66.8	Low	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-82.1	115.9	176.2	-57.8	120.2	0	0	0	110.8	H791 Y793 D794 I881 L1079 E1083 Y1084 A1087 Y1123 A1220 N1223 L1224	H791-W883 VanDerWaalsContact O-CD1 3.22Å; H791-W883 PolarHBondContact O-N 3.19Å; Y793-W883 PolarHBondContact N-O 3.42Å; D794-W883 PolarHBondContact N-O 2.69Å; D794-W883 VanDerWaalsContact N-O 3.07Å; I881-W883 HydrophobicContact CG2-CD2 4.33Å; I881-W883 HydrophobicContact CG2-CE3 4.39Å; I881-W883 HydrophobicContact CG2-CH2 3.96Å; I881-W883 HydrophobicContact CG2-CZ2 3.86Å; I881-W883 HydrophobicContact CG2-CZ3 4.21Å; I881-W883 PolarHBondContact O-N 2.92Å; W883-L1079 HydrophobicContact CB-CD1 4.09Å; W883-L1079 HydrophobicContact CD2-CD1 3.58Å; W883-L1079 HydrophobicContact CE3-CD1 3.96Å; W883-L1079 HydrophobicContact CG-CD1 3.66Å; W883-E1083 HydrophobicContact CH2-CB 4.42Å; W883-Y1084 AromaticContact NE1-CE2 3.86Å; W883-Y1084 AromaticContact NE1-CZ 3.84Å; W883-A1087 HydrophobicContact CH2-CB 3.95Å; W883-A1087 HydrophobicContact CZ2-CB 3.93Å; W883-Y1123 WeakPolarHBondContact CB-OH 3.47Å; W883-Y1123 AromaticContact CD1-CE2 3.85Å; W883-Y1123 HydrophobicContact CG-CE2 4.46Å; W883-A1220 HydrophobicContact CE3-CB 4.17Å; W883-A1220 HydrophobicContact CH2-CB 4.33Å; W883-A1220 HydrophobicContact CZ3-CB 3.6Å; W883-N1223 HydrophobicContact CE3-CB 4.09Å; W883-N1223 HydrophobicContact CZ3-CB 4.4Å; W883-L1224 HydrophobicContact CH2-CD1 4.25Å; W883-L1224 HydrophobicContact CH2-CD2 3.92Å; W883-L1224 HydrophobicContact CH2-CG 4.01Å; W883-L1224 HydrophobicContact CZ3-CD1 4.46Å; W883-L1224 HydrophobicContact CZ3-CD2 4.22Å; W883-L1224 HydrophobicContact CZ3-CG 3.96Å
884	E	85.4	Confident	66.2	Low	69 Å²	69	58 Å²	58	32%	0.322	33%	0.33	S	S	.	.			trans	-95.6	129.3	177.9	-63.5	-77.6	-156.7	0	0	112.2	Y793 G795 A882 L1077 N1223	Y793-E884 WeakPolarHBondContact CD1-OE1 3.37Å; G795-E884 WeakPolarHBondContact CA-OE2 3.5Å; G795-E884 PolarHBondContact N-OE2 3.34Å; A882-E884 PolarHBondContact O-N 3Å; E884-L1077 WeakPolarHBondContact O-CD2 3.33Å; E884-N1223 PolarHBondContact N-ND2 2.95Å; E884-N1223 PolarHBondContact O-ND2 2.91Å
885	N	67.1	Low	65.2	Low	8 Å²	8	56.4 Å²	56.4	4%	0.043	31%	0.312	C	S	.	.			trans	-91.6	119.7	168.2	-179.6	-5.7	0	0	0	111.4	D794 Y887 L1077	D794-N885 HydrophobicContact CB-CB 4.3Å; D794-N885 VanDerWaalsContact CG-CB 3.47Å; D794-N885 WeakPolarHBondContact OD1-CB 3.38Å; D794-N885 PolarHBondContact OD1-N 2.98Å; N885-Y887 PolarHBondContact O-N 3.46Å; N885-Y887 VanDerWaalsContact O-N 3.13Å; N885-Y887 WeakPolarHBondContact OD1-CB 3.45Å; N885-Y887 PolarHBondContact OD1-N 3.03Å; N885-Y887 VanDerWaalsContact OD1-N 3.09Å; N885-L1077 HydrophobicContact CB-CB 4.36Å
886	P	50	Low	64.2	Low	43 Å²	43	57.1 Å²	57.1	28%	0.279	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-8.6	-176.4	30.9	-37.4	0	0	0	114.3	N888 Y895 E1219	P886-N888 VanDerWaalsContact C-N 3.26Å; P886-N888 PolarHBondContact O-N 2.97Å; P886-Y895 HydrophobicContact CB-CD1 4.06Å; P886-Y895 HydrophobicContact CB-CE1 3.64Å; P886-Y895 HydrophobicContact CG-CE1 4.03Å; P886-E1219 HydrophobicContact CG-CG 3.84Å
887	Y	45.2	Very low	62.5	Low	147 Å²	147	62.6 Å²	62.6	58%	0.576	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	7.1	179.8	-73.6	-69.9	0	0	0	115	N885 G889	N885-Y887 PolarHBondContact O-N 3.46Å; N885-Y887 VanDerWaalsContact O-N 3.13Å; N885-Y887 WeakPolarHBondContact OD1-CB 3.45Å; N885-Y887 PolarHBondContact OD1-N 3.03Å; N885-Y887 VanDerWaalsContact OD1-N 3.09Å; Y887-G889 VanDerWaalsContact C-N 3.3Å; Y887-G889 PolarHBondContact O-N 2.96Å
888	N	43.7	Very low	60.3	Low	65 Å²	65	65.1 Å²	65.1	35%	0.348	35%	0.352	S	S	.	.	S	Bend	trans	-69.5	76.1	178.3	-96.3	2.3	0	0	0	114.2	D794 P886 K890	D794-N888 PolarHBondContact O-ND2 3.12Å; P886-N888 VanDerWaalsContact C-N 3.26Å; P886-N888 PolarHBondContact O-N 2.97Å; N888-K890 PolarHBondContact O-N 2.84Å
889	G	35.8	Very low	57.9	Low	82 Å²	82	66 Å²	66	85%	0.845	36%	0.356	S	S	*	.	S	Bend	trans	69.6	-19.3	158.7	0	0	0	0	0	117.9	Y887	Y887-G889 VanDerWaalsContact C-N 3.3Å; Y887-G889 PolarHBondContact O-N 2.96Å
890	K	33.5	Very low	55.5	Low	175 Å²	175	71.5 Å²	71.5	76%	0.761	38%	0.377	S	S	*	.			trans	-103.9	113.4	-177.4	-67.8	175.5	-177.1	169.6	0	110.7	N888 D892	N888-K890 PolarHBondContact O-N 2.84Å; K890-D892 PolarHBondContact O-N 3.3Å
891	S	32.5	Very low	53.1	Low	115 Å²	115	73.6 Å²	73.6	80%	0.804	39%	0.392	S	S	*	.			trans	-76.4	62.1	176.8	65.3	0	0	0	0	112	N893	S891-N893 PolarHBondContact O-N 2.9Å; S891-N893 VanDerWaalsContact O-N 3.15Å
892	D	40.1	Very low	50.4	Low	89 Å²	89	75.5 Å²	75.5	48%	0.476	40%	0.4	S	S	.	.			trans	-81.4	97.4	-171.8	-144.1	-43.3	0	0	0	111.4	K890 N894 Y895	K890-D892 PolarHBondContact O-N 3.3Å; D892-N894 PolarHBondContact O-N 2.9Å; D892-N894 PolarHBondContact OD1-ND2 2.77Å; D892-Y895 WeakPolarHBondContact O-CB 3.4Å; D892-Y895 PolarHBondContact O-N 3.27Å
893	N	43.7	Very low	47.8	Very low	128 Å²	128	80.7 Å²	80.7	68%	0.684	43%	0.426	S	S	*	.	H	α-helix	trans	-55.4	-27.3	-177.4	-70.9	-61.9	0	0	0	112.9	S891 Y895 T896 E897	S891-N893 PolarHBondContact O-N 2.9Å; S891-N893 VanDerWaalsContact O-N 3.15Å; N893-Y895 PolarHBondContact O-N 2.9Å; N893-T896 PolarHBondContact O-N 3.45Å; N893-E897 WeakPolarHBondContact O-CG 3.35Å; N893-E897 PolarHBondContact O-N 3.48Å
894	N	45.3	Very low	45.4	Very low	117 Å²	117	87.7 Å²	87.7	63%	0.626	46%	0.456	S	S	*	.	H	α-helix	trans	-56.8	-35.8	175.4	-65.3	-54	0	0	0	112.5	D892 T896 E897 M898	D892-N894 PolarHBondContact O-N 2.9Å; D892-N894 PolarHBondContact OD1-ND2 2.77Å; N894-T896 VanDerWaalsContact C-N 3.35Å; N894-T896 PolarHBondContact O-N 3.37Å; N894-E897 PolarHBondContact O-N 2.85Å; N894-E897 VanDerWaalsContact O-N 3.16Å; N894-M898 PolarHBondContact O-N 3.32Å
895	Y	41.2	Very low	43.3	Very low	65 Å²	65	93.4 Å²	93.4	26%	0.255	48%	0.475	S	S	.	.	H	α-helix	trans	-65.4	-39.9	-179.2	-162	-100.8	0	0	0	111.9	P886 D892 N893 E897 M898 I899 E1219	P886-Y895 HydrophobicContact CB-CD1 4.06Å; P886-Y895 HydrophobicContact CB-CE1 3.64Å; P886-Y895 HydrophobicContact CG-CE1 4.03Å; D892-Y895 WeakPolarHBondContact O-CB 3.4Å; D892-Y895 PolarHBondContact O-N 3.27Å; N893-Y895 PolarHBondContact O-N 2.9Å; Y895-E897 VanDerWaalsContact C-N 3.29Å; Y895-E897 PolarHBondContact O-N 2.87Å; Y895-M898 HydrophobicContact CD2-CE 3.81Å; Y895-M898 HydrophobicContact CE2-CE 3.39Å; Y895-M898 PolarHBondContact O-N 3.23Å; Y895-I899 HydrophobicContact CD1-CD1 3.95Å; Y895-I899 HydrophobicContact CE1-CD1 3.44Å; Y895-I899 VanDerWaalsContact CE1-CD1 3.44Å; Y895-I899 HydrophobicContact CE1-CG1 4.18Å; Y895-I899 PolarHBondContact O-N 3.39Å; Y895-I899 VanDerWaalsContact O-N 3.07Å; Y895-E1219 WeakPolarHBondContact OH-CG 3.49Å
896	T	42.7	Very low	42.1	Very low	70 Å²	70	99 Å²	99	43%	0.429	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-34.1	174.9	-55.6	0	0	0	0	111.4	N893 N894 R900	N893-T896 PolarHBondContact O-N 3.45Å; N894-T896 VanDerWaalsContact C-N 3.35Å; N894-T896 PolarHBondContact O-N 3.37Å; T896-R900 WeakPolarHBondContact O-CB 3.49Å; T896-R900 WeakPolarHBondContact O-CD 3.34Å; T896-R900 WeakPolarHBondContact O-CG 3.35Å; T896-R900 PolarHBondContact O-N 2.91Å; T896-R900 VanDerWaalsContact O-N 3.12Å
897	E	43.8	Very low	41.4	Very low	116 Å²	116	100.8 Å²	100.8	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-72.4	-38.3	175.7	-59.4	-114.2	109.2	0	0	112	N893 N894 Y895 R900 S901	N893-E897 WeakPolarHBondContact O-CG 3.35Å; N893-E897 PolarHBondContact O-N 3.48Å; N894-E897 PolarHBondContact O-N 2.85Å; N894-E897 VanDerWaalsContact O-N 3.16Å; Y895-E897 VanDerWaalsContact C-N 3.29Å; Y895-E897 PolarHBondContact O-N 2.87Å; E897-R900 WeakPolarHBondContact O-CB 3.29Å; E897-R900 PolarHBondContact O-N 3.26Å; E897-R900 IonicContact OE1-NH1 2.75Å; E897-R900 PolarHBondContact OE1-NH1 3.44Å; E897-R900 VanDerWaalsContact OE1-NH1 3.12Å; E897-S901 WeakPolarHBondContact O-CB 3.31Å; E897-S901 PolarHBondContact O-N 2.98Å
898	M	43.9	Very low	40.8	Very low	63 Å²	63	99.2 Å²	99.2	31%	0.31	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-51.4	175.2	-172.3	-178.1	74.1	0	0	111.2	N894 Y895 R900 S901 Q902 V1222	N894-M898 PolarHBondContact O-N 3.32Å; Y895-M898 HydrophobicContact CD2-CE 3.81Å; Y895-M898 HydrophobicContact CE2-CE 3.39Å; Y895-M898 PolarHBondContact O-N 3.23Å; M898-R900 PolarHBondContact O-N 3.07Å; M898-S901 WeakPolarHBondContact O-CA 3.48Å; M898-S901 WeakPolarHBondContact O-CB 3.23Å; M898-S901 PolarHBondContact O-N 3.44Å; M898-S901 PolarHBondContact O-OG 3.49Å; M898-Q902 PolarHBondContact O-N 2.97Å; M898-V1222 HydrophobicContact CE-CG2 3.77Å
899	I	42.7	Very low	40.3	Very low	32 Å²	32	102 Å²	102	16%	0.164	54%	0.535	C	S	.	.	H	α-helix	trans	-59.8	-44.9	176.4	-72.1	-179	0	0	0	111	Y895 S901 Q902 M903 E1219	Y895-I899 HydrophobicContact CD1-CD1 3.95Å; Y895-I899 HydrophobicContact CE1-CD1 3.44Å; Y895-I899 VanDerWaalsContact CE1-CD1 3.44Å; Y895-I899 HydrophobicContact CE1-CG1 4.18Å; Y895-I899 PolarHBondContact O-N 3.39Å; Y895-I899 VanDerWaalsContact O-N 3.07Å; I899-S901 PolarHBondContact O-N 2.79Å; I899-Q902 PolarHBondContact O-N 3.37Å; I899-M903 HydrophobicContact CG2-CE 3.71Å; I899-M903 HydrophobicContact CG2-CG 4.29Å; I899-M903 HydrophobicContact CG2-SD 3.88Å; I899-M903 WeakPolarHBondContact O-CB 3.35Å; I899-M903 WeakPolarHBondContact O-CG 3.33Å; I899-M903 PolarHBondContact O-N 3.09Å; I899-E1219 WeakPolarHBondContact CD1-OE1 3.42Å
900	R	46.6	Very low	40	Very low	116 Å²	116	104.5 Å²	104.5	44%	0.438	53%	0.534	S	S	.	.	H	α-helix	trans	-56.6	-35.2	172.8	-76.1	170.2	-173.6	151.6	4	112.3	T896 E897 M898 K904	T896-R900 WeakPolarHBondContact O-CB 3.49Å; T896-R900 WeakPolarHBondContact O-CD 3.34Å; T896-R900 WeakPolarHBondContact O-CG 3.35Å; T896-R900 PolarHBondContact O-N 2.91Å; T896-R900 VanDerWaalsContact O-N 3.12Å; E897-R900 WeakPolarHBondContact O-CB 3.29Å; E897-R900 PolarHBondContact O-N 3.26Å; E897-R900 IonicContact OE1-NH1 2.75Å; E897-R900 PolarHBondContact OE1-NH1 3.44Å; E897-R900 VanDerWaalsContact OE1-NH1 3.12Å; M898-R900 PolarHBondContact O-N 3.07Å; R900-K904 VanDerWaalsContact O-CB 3.27Å; R900-K904 WeakPolarHBondContact O-CB 3.2Å; R900-K904 WeakPolarHBondContact O-CG 3.08Å; R900-K904 PolarHBondContact O-N 3.36Å
901	S	44.9	Very low	39.7	Very low	45 Å²	45	100.6 Å²	100.6	32%	0.315	53%	0.528	S	S	.	.	H	α-helix	trans	-72.8	-44	-179.5	85	0	0	0	0	112.4	E897 M898 I899 K904 R905	E897-S901 WeakPolarHBondContact O-CB 3.31Å; E897-S901 PolarHBondContact O-N 2.98Å; M898-S901 WeakPolarHBondContact O-CA 3.48Å; M898-S901 WeakPolarHBondContact O-CB 3.23Å; M898-S901 PolarHBondContact O-N 3.44Å; M898-S901 PolarHBondContact O-OG 3.49Å; I899-S901 PolarHBondContact O-N 2.79Å; S901-K904 PolarHBondContact O-N 3.05Å; S901-R905 WeakPolarHBondContact O-CG 3.37Å; S901-R905 PolarHBondContact O-N 3.06Å
902	Q	41.8	Very low	39.5	Very low	39 Å²	39	101.7 Å²	101.7	18%	0.182	53%	0.531	C	S	.	.	H	α-helix	trans	-65.1	-46.1	175.8	-76.5	172.8	-34.4	0	0	110.8	M898 I899 K904 R905 R906 E1244	M898-Q902 PolarHBondContact O-N 2.97Å; I899-Q902 PolarHBondContact O-N 3.37Å; Q902-K904 VanDerWaalsContact C-N 3.31Å; Q902-K904 PolarHBondContact O-N 3.28Å; Q902-R905 PolarHBondContact O-N 2.84Å; Q902-R906 PolarHBondContact O-N 3.15Å; Q902-E1244 PolarHBondContact NE2-OE1 2.98Å
903	M	40.3	Very low	38.9	Very low	110 Å²	110	104.3 Å²	104.3	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-36.5	174.8	-70.8	-176.1	174.7	0	0	112.8	I899	I899-M903 HydrophobicContact CG2-CE 3.71Å; I899-M903 HydrophobicContact CG2-CG 4.29Å; I899-M903 HydrophobicContact CG2-SD 3.88Å; I899-M903 WeakPolarHBondContact O-CB 3.35Å; I899-M903 WeakPolarHBondContact O-CG 3.33Å; I899-M903 PolarHBondContact O-N 3.09Å
904	K	42.5	Very low	38.2	Very low	148 Å²	148	103.2 Å²	103.2	64%	0.643	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-42.8	173.8	-83.3	176.7	176.7	-178.3	0	112.6	R900 S901 Q902 R906 S907	R900-K904 VanDerWaalsContact O-CB 3.27Å; R900-K904 WeakPolarHBondContact O-CB 3.2Å; R900-K904 WeakPolarHBondContact O-CG 3.08Å; R900-K904 PolarHBondContact O-N 3.36Å; S901-K904 PolarHBondContact O-N 3.05Å; Q902-K904 VanDerWaalsContact C-N 3.31Å; Q902-K904 PolarHBondContact O-N 3.28Å; K904-R906 VanDerWaalsContact C-N 3.3Å; K904-R906 PolarHBondContact O-N 3.27Å; K904-S907 WeakPolarHBondContact O-CB 3.3Å; K904-S907 PolarHBondContact O-N 2.89Å; K904-S907 PolarHBondContact O-OG 3.38Å
905	R	41.2	Very low	37.4	Very low	189 Å²	189	103.1 Å²	103.1	71%	0.713	55%	0.549	S	S	*	.	H	α-helix	trans	-61	-37.2	-179.4	-74.1	175.7	-174.7	-178.4	3.7	112.5	S901 Q902 S907 T908	S901-R905 WeakPolarHBondContact O-CG 3.37Å; S901-R905 PolarHBondContact O-N 3.06Å; Q902-R905 PolarHBondContact O-N 2.84Å; R905-S907 PolarHBondContact O-N 2.87Å; R905-T908 PolarHBondContact O-OG1 2.96Å
906	R	42.6	Very low	36.9	Very low	124 Å²	124	109.9 Å²	109.9	47%	0.468	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	0.8	173	-77.6	-173.5	162.8	-179.9	-6.9	115.1	Q902 K904 A1248	Q902-R906 PolarHBondContact O-N 3.15Å; K904-R906 VanDerWaalsContact C-N 3.3Å; K904-R906 PolarHBondContact O-N 3.27Å; R906-A1248 PolarHBondContact NH1-O 3.49Å; R906-A1248 VanDerWaalsContact NH2-C 3.31Å; R906-A1248 PolarHBondContact NH2-O 2.9Å
907	S	36.1	Very low	36.5	Very low	82 Å²	82	110.5 Å²	110.5	57%	0.573	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-0.7	-179.3	73.3	0	0	0	0	115	K904 R905	K904-S907 WeakPolarHBondContact O-CB 3.3Å; K904-S907 PolarHBondContact O-N 2.89Å; K904-S907 PolarHBondContact O-OG 3.38Å; R905-S907 PolarHBondContact O-N 2.87Å
908	T	32.3	Very low	36.1	Very low	113 Å²	113	108.8 Å²	108.8	69%	0.693	58%	0.577	S	S	*	*			trans	-108	45	-170.2	47.4	0	0	0	0	114.3	R905	R905-T908 PolarHBondContact O-OG1 2.96Å
909	T	33.5	Very low	35.9	Very low	125 Å²	125	109.6 Å²	109.6	77%	0.767	58%	0.582	S	S	*	*	S	Bend	trans	-128.6	119.5	166.1	32	0	0	0	0	110.7
910	T	29	Very low	35.5	Very low	134 Å²	134	111.6 Å²	111.6	82%	0.822	60%	0.604	S	S	*	*			trans	-25.9	147.9	172.5	50	0	0	0	0	118.6
911	S	28.1	Very low	35.2	Very low	93 Å²	93	110.6 Å²	110.6	65%	0.65	61%	0.607	S	S	*	*			cis	-176.1	145.2	-10.6	46.8	0	0	0	0	111.7
912	T	26.8	Very low	35.4	Very low	138 Å²	138	112.2 Å²	112.2	85%	0.847	61%	0.61	S	S	*	*			trans	52.4	90.2	158.7	55.2	0	0	0	0	119.7
913	V	28.4	Very low	35.3	Very low	143 Å²	143	118.9 Å²	118.9	87%	0.867	63%	0.633	S	S	*	*			trans	-137.6	161.5	158.9	-175.1	0	0	0	0	110.9
914	N	29.5	Very low	35.5	Very low	106 Å²	106	121.3 Å²	121.3	57%	0.567	64%	0.636	S	S	*	*			trans	-52.7	135.8	-167.6	-168.4	11.3	0	0	0	117.8	Y916	N914-Y916 VanDerWaalsContact C-N 3.29Å; N914-Y916 PolarHBondContact O-N 2.86Å
915	P	28.1	Very low	35.7	Very low	114 Å²	114	119.8 Å²	119.8	74%	0.74	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	11.6	-176.4	-21.2	34.7	0	0	0	119.4
916	Y	30.3	Very low	35.8	Very low	208 Å²	208	117.7 Å²	117.7	82%	0.816	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	1.5	-169.1	-79.2	-82.2	0	0	0	115.6	N914	N914-Y916 VanDerWaalsContact C-N 3.29Å; N914-Y916 PolarHBondContact O-N 2.86Å
917	S	33.9	Very low	35.8	Very low	82 Å²	82	118.5 Å²	118.5	57%	0.573	63%	0.625	S	S	*	*			trans	-109	64.7	-176.7	56.7	0	0	0	0	113.2	N919	S917-N919 VanDerWaalsContact C-N 3.33Å; S917-N919 PolarHBondContact O-N 3.29Å
918	L	35.7	Very low	36.1	Very low	81 Å²	81	119.7 Å²	119.7	42%	0.424	62%	0.62	S	S	.	*			trans	-71.2	81.6	178.4	-75.8	167.2	0	0	0	112.2	E922	L918-E922 HydrophobicContact CD2-CB 3.72Å
919	N	39.7	Very low	36.9	Very low	79 Å²	79	120 Å²	120	42%	0.422	61%	0.613	S	S	.	*			trans	-65.4	175.3	174.7	68	14.8	0	0	0	112.6	S917 D921 E922 R923	S917-N919 VanDerWaalsContact C-N 3.33Å; S917-N919 PolarHBondContact O-N 3.29Å; N919-D921 VanDerWaalsContact C-N 3.26Å; N919-D921 PolarHBondContact O-N 3.39Å; N919-D921 PolarHBondContact OD1-N 2.77Å; N919-E922 PolarHBondContact O-N 3.09Å; N919-E922 VanDerWaalsContact O-N 3.17Å; N919-E922 WeakPolarHBondContact OD1-CG 3.36Å; N919-E922 PolarHBondContact OD1-N 3.06Å; N919-R923 PolarHBondContact O-N 2.72Å; N919-R923 VanDerWaalsContact O-N 3.13Å
920	A	34	Very low	37.4	Very low	75 Å²	75	118.9 Å²	118.9	62%	0.62	60%	0.603	S	S	*	*	H	α-helix	trans	-59.8	-36.4	-176.3	0	0	0	0	0	112.5	R923 R924	A920-R923 PolarHBondContact O-N 3.02Å; A920-R924 PolarHBondContact O-N 3.04Å
921	D	41.4	Very low	38.3	Very low	94 Å²	94	114 Å²	114	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-38.4	175.6	-81.8	-30.6	0	0	0	113	N919 R923 R924 K925	N919-D921 VanDerWaalsContact C-N 3.26Å; N919-D921 PolarHBondContact O-N 3.39Å; N919-D921 PolarHBondContact OD1-N 2.77Å; D921-R923 VanDerWaalsContact C-N 3.35Å; D921-R924 PolarHBondContact O-N 3.26Å; D921-K925 WeakPolarHBondContact O-CB 3.39Å; D921-K925 WeakPolarHBondContact O-CG 3.3Å; D921-K925 PolarHBondContact O-N 3.26Å
922	E	47.8	Very low	39.1	Very low	79 Å²	79	112 Å²	112	37%	0.369	57%	0.565	S	S	.	*	H	α-helix	trans	-69.5	-33.2	174.3	-67.3	-151	116.6	0	0	112.6	L918 N919 K925 R926	L918-E922 HydrophobicContact CD2-CB 3.72Å; N919-E922 PolarHBondContact O-N 3.09Å; N919-E922 VanDerWaalsContact O-N 3.17Å; N919-E922 WeakPolarHBondContact OD1-CG 3.36Å; N919-E922 PolarHBondContact OD1-N 3.06Å; E922-K925 HydrophobicContact CG-CD 4.39Å; E922-R926 VanDerWaalsContact O-CB 3.25Å; E922-R926 WeakPolarHBondContact O-CB 3.4Å; E922-R926 PolarHBondContact O-N 2.77Å
923	R	40.2	Very low	40	Very low	179 Å²	179	111.8 Å²	111.8	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-62.4	-42.4	167.5	-95.5	178.4	-86.4	-176.2	-6	111.9	N919 A920 D921 R926 W927	N919-R923 PolarHBondContact O-N 2.72Å; N919-R923 VanDerWaalsContact O-N 3.13Å; A920-R923 PolarHBondContact O-N 3.02Å; D921-R923 VanDerWaalsContact C-N 3.35Å; R923-R926 PolarHBondContact O-N 2.82Å; R923-W927 WeakPolarHBondContact O-CB 3.48Å; R923-W927 PolarHBondContact O-N 3.41Å
924	R	44.1	Very low	41	Very low	162 Å²	162	112.8 Å²	112.8	61%	0.611	55%	0.547	S	S	*	.	H	α-helix	trans	-65.2	-46.6	176.5	-165.4	177.1	-72.4	-161.7	-0.6	111.8	A920 D921 R926 W927 F928	A920-R924 PolarHBondContact O-N 3.04Å; D921-R924 PolarHBondContact O-N 3.26Å; R924-R926 VanDerWaalsContact C-N 3.34Å; R924-R926 PolarHBondContact O-N 3.01Å; R924-W927 PolarHBondContact O-N 2.83Å; R924-F928 HydrophobicContact CG-CD2 4.11Å; R924-F928 HydrophobicContact CG-CE2 3.88Å; R924-F928 VanDerWaalsContact O-CD2 3.31Å; R924-F928 WeakPolarHBondContact O-CD2 3.15Å; R924-F928 PolarHBondContact O-N 2.91Å
925	K	46.4	Very low	41.7	Very low	115 Å²	115	110.3 Å²	110.3	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-55.7	-45.5	172.5	-71.9	164.8	-170.1	164.3	0	111.6	D921 E922 F928 Q929	D921-K925 WeakPolarHBondContact O-CB 3.39Å; D921-K925 WeakPolarHBondContact O-CG 3.3Å; D921-K925 PolarHBondContact O-N 3.26Å; E922-K925 HydrophobicContact CG-CD 4.39Å; K925-F928 PolarHBondContact O-N 3.31Å; K925-Q929 WeakPolarHBondContact O-CG 3.43Å; K925-Q929 PolarHBondContact O-N 2.82Å
926	R	44.6	Very low	42.5	Very low	146 Å²	146	110 Å²	110	55%	0.551	53%	0.534	S	S	*	.	H	α-helix	trans	-71.2	-32.5	-178.8	-151.9	173.7	-166.2	-179	4.2	112.4	E922 R923 R924 N930	E922-R926 VanDerWaalsContact O-CB 3.25Å; E922-R926 WeakPolarHBondContact O-CB 3.4Å; E922-R926 PolarHBondContact O-N 2.77Å; R923-R926 PolarHBondContact O-N 2.82Å; R924-R926 VanDerWaalsContact C-N 3.34Å; R924-R926 PolarHBondContact O-N 3.01Å; R926-N930 WeakPolarHBondContact O-CB 3.45Å; R926-N930 VanDerWaalsContact O-CG 3.23Å; R926-N930 PolarHBondContact O-N 2.98Å; R926-N930 PolarHBondContact O-ND2 3.29Å
927	W	41.7	Very low	43.2	Very low	140 Å²	140	106.9 Å²	106.9	53%	0.53	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-48.6	169.7	-172	94.9	0	0	0	111.2	R923 R924 Q929 N930 A931 E1074	R923-W927 WeakPolarHBondContact O-CB 3.48Å; R923-W927 PolarHBondContact O-N 3.41Å; R924-W927 PolarHBondContact O-N 2.83Å; W927-Q929 PolarHBondContact O-N 2.95Å; W927-N930 PolarHBondContact O-N 2.89Å; W927-N930 VanDerWaalsContact O-N 3.14Å; W927-A931 HydrophobicContact CZ3-CB 4.43Å; W927-A931 WeakPolarHBondContact O-CB 3.47Å; W927-A931 PolarHBondContact O-N 2.73Å; W927-E1074 VanDerWaalsContact CH2-OE1 3.26Å; W927-E1074 WeakPolarHBondContact CH2-OE1 3.43Å
928	F	43.1	Very low	44.1	Very low	107 Å²	107	106.6 Å²	106.6	47%	0.469	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-38.9	174.9	-81.7	-63.4	0	0	0	113.1	R924 K925 A931 A932	R924-F928 HydrophobicContact CG-CD2 4.11Å; R924-F928 HydrophobicContact CG-CE2 3.88Å; R924-F928 VanDerWaalsContact O-CD2 3.31Å; R924-F928 WeakPolarHBondContact O-CD2 3.15Å; R924-F928 PolarHBondContact O-N 2.91Å; K925-F928 PolarHBondContact O-N 3.31Å; F928-A931 PolarHBondContact O-N 3.39Å; F928-A932 VanDerWaalsContact O-CB 3.25Å; F928-A932 WeakPolarHBondContact O-CB 3.33Å; F928-A932 PolarHBondContact O-N 3.03Å
929	Q	48.1	Very low	44.8	Very low	119 Å²	119	107.5 Å²	107.5	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-61.6	-42.9	172.6	-74.9	171.7	-10.1	0	0	112	K925 W927 A932 N933	K925-Q929 WeakPolarHBondContact O-CG 3.43Å; K925-Q929 PolarHBondContact O-N 2.82Å; W927-Q929 PolarHBondContact O-N 2.95Å; Q929-A932 PolarHBondContact O-N 3.06Å; Q929-N933 VanDerWaalsContact O-CG 3.3Å; Q929-N933 PolarHBondContact O-N 3.45Å; Q929-N933 VanDerWaalsContact O-N 3.16Å; Q929-N933 PolarHBondContact O-ND2 3.46Å
930	N	45.5	Very low	44.9	Very low	102 Å²	102	109.6 Å²	109.6	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-71.1	-32.1	178.1	-71.6	-19.9	0	0	0	112.9	R926 W927	R926-N930 WeakPolarHBondContact O-CB 3.45Å; R926-N930 VanDerWaalsContact O-CG 3.23Å; R926-N930 PolarHBondContact O-N 2.98Å; R926-N930 PolarHBondContact O-ND2 3.29Å; W927-N930 PolarHBondContact O-N 2.89Å; W927-N930 VanDerWaalsContact O-N 3.14Å
931	A	46.9	Very low	45.2	Very low	33 Å²	33	112.9 Å²	112.9	27%	0.273	53%	0.527	S	S	.	.	H	α-helix	trans	-71.3	-37.7	171.9	0	0	0	0	0	112.1	W927 F928 N933 R934	W927-A931 HydrophobicContact CZ3-CB 4.43Å; W927-A931 WeakPolarHBondContact O-CB 3.47Å; W927-A931 PolarHBondContact O-N 2.73Å; F928-A931 PolarHBondContact O-N 3.39Å; A931-N933 VanDerWaalsContact C-N 3.28Å; A931-N933 PolarHBondContact O-N 3.41Å; A931-R934 PolarHBondContact O-N 3.43Å
932	A	45.9	Very low	45.1	Very low	50 Å²	50	111.6 Å²	111.6	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-33.2	175.7	0	0	0	0	0	112.7	F928 Q929 R934	F928-A932 VanDerWaalsContact O-CB 3.25Å; F928-A932 WeakPolarHBondContact O-CB 3.33Å; F928-A932 PolarHBondContact O-N 3.03Å; Q929-A932 PolarHBondContact O-N 3.06Å; A932-R934 PolarHBondContact O-N 3.49Å
933	N	45.1	Very low	44.5	Very low	134 Å²	134	115.3 Å²	115.3	72%	0.717	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.5	-178.6	-71.7	-18.1	0	0	0	115.3	Q929 A931	Q929-N933 VanDerWaalsContact O-CG 3.3Å; Q929-N933 PolarHBondContact O-N 3.45Å; Q929-N933 VanDerWaalsContact O-N 3.16Å; Q929-N933 PolarHBondContact O-ND2 3.46Å; A931-N933 VanDerWaalsContact C-N 3.28Å; A931-N933 PolarHBondContact O-N 3.41Å
934	R	48	Very low	44.3	Very low	164 Å²	164	114.4 Å²	114.4	62%	0.619	54%	0.535	S	S	*	.	S	Bend	trans	-73.3	136.5	175.5	-65.6	-168.5	-179.3	-153.5	2.4	111.3	A931 A932 K939	A931-R934 PolarHBondContact O-N 3.43Å; A932-R934 PolarHBondContact O-N 3.49Å; R934-K939 WeakPolarHBondContact O-CE 3.29Å
935	S	45	Very low	43.9	Very low	53 Å²	53	112 Å²	112	37%	0.371	54%	0.538	S	S	.	.			trans	-67.5	158.3	-174.2	82.3	0	0	0	0	112.4	Q937 D938 K939	S935-Q937 PolarHBondContact O-N 2.83Å; S935-Q937 PolarHBondContact OG-N 2.93Å; S935-D938 VanDerWaalsContact CB-OD2 3.27Å; S935-D938 WeakPolarHBondContact CB-OD2 3.46Å; S935-D938 PolarHBondContact N-OD2 3.32Å; S935-D938 PolarHBondContact O-N 3.38Å; S935-D938 VanDerWaalsContact O-N 3.11Å; S935-D938 PolarHBondContact OG-N 3.45Å; S935-D938 PolarHBondContact OG-OD2 3.19Å; S935-K939 PolarHBondContact O-N 3.45Å; S935-K939 VanDerWaalsContact O-N 3.1Å
936	T	45.4	Very low	43.4	Very low	107 Å²	107	110.2 Å²	110.2	66%	0.656	53%	0.534	S	S	*	.	H	α-helix	trans	-59.3	-31	176.1	-34.2	0	0	0	0	112.2	Q940	T936-Q940 WeakPolarHBondContact O-CG 3.4Å; T936-Q940 PolarHBondContact O-N 2.82Å; T936-Q940 VanDerWaalsContact O-N 3.11Å
937	Q	44.6	Very low	42.8	Very low	143 Å²	143	111 Å²	111	67%	0.668	54%	0.544	S	S	*	.	H	α-helix	trans	-73.2	-36.3	176	-69.8	-174.2	-14.7	0	0	112.5	S935 K939 Q940 K941	S935-Q937 PolarHBondContact O-N 2.83Å; S935-Q937 PolarHBondContact OG-N 2.93Å; Q937-K939 VanDerWaalsContact C-N 3.35Å; Q937-Q940 PolarHBondContact O-N 2.73Å; Q937-K941 WeakPolarHBondContact O-CG 3.41Å; Q937-K941 PolarHBondContact O-N 3.06Å
938	D	54	Low	42.4	Very low	77 Å²	77	109 Å²	109	41%	0.412	55%	0.551	S	S	.	*	H	α-helix	trans	-66.4	-40.4	175.3	-58.5	-52.5	0	0	0	110.9	S935 K941 V942	S935-D938 VanDerWaalsContact CB-OD2 3.27Å; S935-D938 WeakPolarHBondContact CB-OD2 3.46Å; S935-D938 PolarHBondContact N-OD2 3.32Å; S935-D938 PolarHBondContact O-N 3.38Å; S935-D938 VanDerWaalsContact O-N 3.11Å; S935-D938 PolarHBondContact OG-N 3.45Å; S935-D938 PolarHBondContact OG-OD2 3.19Å; D938-K941 PolarHBondContact O-N 3.46Å; D938-V942 PolarHBondContact O-N 3.46Å
939	K	48.7	Very low	41.7	Very low	100 Å²	100	108.9 Å²	108.9	44%	0.435	56%	0.564	S	S	.	*	H	α-helix	trans	-61.9	-44.7	174.9	-66.7	-179.9	-177.9	-178.4	0	111.3	R934 S935 Q937 K941 V942 Y943	R934-K939 WeakPolarHBondContact O-CE 3.29Å; S935-K939 PolarHBondContact O-N 3.45Å; S935-K939 VanDerWaalsContact O-N 3.1Å; Q937-K939 VanDerWaalsContact C-N 3.35Å; K939-K941 PolarHBondContact O-N 3.31Å; K939-V942 PolarHBondContact O-N 3.09Å; K939-Y943 WeakPolarHBondContact O-CD2 3.39Å; K939-Y943 PolarHBondContact O-N 3.29Å
940	Q	41.8	Very low	40.8	Very low	123 Å²	123	109.7 Å²	109.7	58%	0.575	57%	0.572	S	S	*	*	H	α-helix	trans	-67	-30.9	176.8	-75.1	-178.1	-16.3	0	0	114	T936 Q937 K944	T936-Q940 WeakPolarHBondContact O-CG 3.4Å; T936-Q940 PolarHBondContact O-N 2.82Å; T936-Q940 VanDerWaalsContact O-N 3.11Å; Q937-Q940 PolarHBondContact O-N 2.73Å; Q940-K944 WeakPolarHBondContact O-CB 3.2Å; Q940-K944 PolarHBondContact O-N 3.29Å
941	K	42.1	Very low	40	Very low	143 Å²	143	113.1 Å²	113.1	62%	0.622	58%	0.584	S	S	*	*	H	α-helix	trans	-66.8	-36.8	174.8	-81.2	178.7	176.3	176	0	113.2	Q937 D938 K939 T945	Q937-K941 WeakPolarHBondContact O-CG 3.41Å; Q937-K941 PolarHBondContact O-N 3.06Å; D938-K941 PolarHBondContact O-N 3.46Å; K939-K941 PolarHBondContact O-N 3.31Å; K941-T945 PolarHBondContact O-OG1 3.2Å
942	V	38.6	Very low	39.3	Very low	67 Å²	67	119.5 Å²	119.5	41%	0.406	61%	0.608	S	S	.	*	H	α-helix	trans	-65.5	-43.7	177.3	175.6	0	0	0	0	110.9	D938 K939 I946 T1071	D938-V942 PolarHBondContact O-N 3.46Å; K939-V942 PolarHBondContact O-N 3.09Å; V942-I946 WeakPolarHBondContact O-CD1 3.46Å; V942-T1071 HydrophobicContact CG1-CG2 4.23Å
943	Y	35.4	Very low	38.3	Very low	157 Å²	157	126.3 Å²	126.3	62%	0.616	63%	0.631	S	S	*	*	H	α-helix	trans	-69.8	-46.5	178.8	-83	-93.7	0	0	0	113.1	K939 T945 I946	K939-Y943 WeakPolarHBondContact O-CD2 3.39Å; K939-Y943 PolarHBondContact O-N 3.29Å; Y943-T945 PolarHBondContact O-N 2.66Å; Y943-I946 PolarHBondContact O-N 2.8Å; Y943-I946 VanDerWaalsContact O-N 3.09Å
944	K	36	Very low	37.4	Very low	161 Å²	161	129.4 Å²	129.4	70%	0.7	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-1.7	-175.7	-77.4	-161	168.9	-165.3	0	116.1	Q940	Q940-K944 WeakPolarHBondContact O-CB 3.2Å; Q940-K944 PolarHBondContact O-N 3.29Å
945	T	35.4	Very low	36.4	Very low	110 Å²	110	126.2 Å²	126.2	68%	0.675	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-1.3	174.7	-43.8	0	0	0	0	112.1	K941 Y943	K941-T945 PolarHBondContact O-OG1 3.2Å; Y943-T945 PolarHBondContact O-N 2.66Å
946	I	34.8	Very low	35.4	Very low	79 Å²	79	128.9 Å²	128.9	41%	0.405	65%	0.654	S	S	.	*	S	Bend	trans	-108.1	-15	-172.7	-60.6	174.7	0	0	0	112.2	V942 Y943	V942-I946 WeakPolarHBondContact O-CD1 3.46Å; Y943-I946 PolarHBondContact O-N 2.8Å; Y943-I946 VanDerWaalsContact O-N 3.09Å
947	E	33.2	Very low	34.5	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.762	66%	0.663	S	S	*	*	S	Bend	trans	-100.7	27.3	-174.4	-59.4	178	133.8	0	0	113.6
948	S	32.4	Very low	33.7	Very low	98 Å²	98	131.6 Å²	131.6	69%	0.685	66%	0.66	S	S	*	*			trans	-145.3	32.3	-174.9	74.5	0	0	0	0	114.8
949	S	29.4	Very low	32.5	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	68%	0.679	S	S	*	*			trans	-129.6	80	175	60.5	0	0	0	0	110.6
950	D	29.4	Very low	31.5	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	69%	0.694	S	S	*	*			trans	-64.2	157	171.9	-71	-61.9	0	0	0	112.9
951	H	29.1	Very low	30.8	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.806	71%	0.708	S	S	*	*			trans	30.5	89.1	151.9	-65	-61.9	0	0	0	119.3
952	H	31.1	Very low	30.1	Very low	167 Å²	167	141 Å²	141	77%	0.773	71%	0.706	S	S	*	*			trans	-140.3	134.8	150.3	-87	-41.9	0	0	0	113.2	Y954	H952-Y954 HydrophobicContact CB-CD2 4Å; H952-Y954 HydrophobicContact CB-CE2 3.86Å
953	Q	25.3	Very low	29.6	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	73%	0.729	S	S	*	*			trans	-78.9	126.5	167.6	-59.6	165.8	-82.1	0	0	109.2
954	Y	26.1	Very low	29.4	Very low	198 Å²	198	147.6 Å²	147.6	78%	0.776	74%	0.735	S	S	*	*			trans	-139.2	154.5	164.8	-82.1	-80.7	0	0	0	110	H952	H952-Y954 HydrophobicContact CB-CD2 4Å; H952-Y954 HydrophobicContact CB-CE2 3.86Å
955	P	26.1	Very low	29	Very low	97 Å²	97	147.8 Å²	147.8	63%	0.63	74%	0.739	S	S	*	*			trans	-102.2	177.5	-143	-2.4	24.3	0	0	0	115.1	Y957	P955-Y957 PolarHBondContact O-N 2.74Å
956	S	24.1	Very low	28.7	Very low	110 Å²	110	150 Å²	150	77%	0.769	74%	0.741	S	S	*	*			trans	-49.9	120.6	165.4	52.2	0	0	0	0	112.6	S958	S956-S958 PolarHBondContact O-N 2.67Å
957	Y	26.6	Very low	28.5	Very low	220 Å²	220	152.5 Å²	152.5	86%	0.863	76%	0.755	S	S	*	*			trans	-83	96	167.5	-93.1	-94.8	0	0	0	110.5	P955	P955-Y957 PolarHBondContact O-N 2.74Å
958	S	27.8	Very low	28.2	Very low	86 Å²	86	149.3 Å²	149.3	60%	0.601	75%	0.751	S	S	*	*			trans	-81.6	124.7	162.4	44.6	0	0	0	0	109.8	S956 Q960	S956-S958 PolarHBondContact O-N 2.67Å; S958-Q960 VanDerWaalsContact C-N 3.28Å; S958-Q960 PolarHBondContact O-N 3.27Å
959	N	28.8	Very low	28	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	76%	0.76	S	S	*	*			trans	-77.8	78.3	171	-85	-22.8	0	0	0	110.3	Y961	N959-Y961 PolarHBondContact O-N 2.74Å
960	Q	27.7	Very low	27.9	Very low	159 Å²	159	152.9 Å²	152.9	74%	0.743	76%	0.762	S	S	*	*			trans	-69.9	104.5	161	-76.9	-172.6	-70.7	0	0	109.4	S958 N962	S958-Q960 VanDerWaalsContact C-N 3.28Å; S958-Q960 PolarHBondContact O-N 3.27Å; Q960-N962 PolarHBondContact O-N 3.13Å
961	Y	28.3	Very low	27.8	Very low	221 Å²	221	152.4 Å²	152.4	87%	0.867	77%	0.769	S	S	*	*			trans	-75	97.8	158.8	-103.9	-84.3	0	0	0	108.7	N959 F963	N959-Y961 PolarHBondContact O-N 2.74Å; Y961-F963 PolarHBondContact O-N 2.89Å
962	N	26.4	Very low	27.8	Very low	110 Å²	110	148.8 Å²	148.8	59%	0.588	76%	0.763	S	S	*	*			trans	-65.7	127.8	166.9	-79.7	-7.3	0	0	0	109.6	Q960	Q960-N962 PolarHBondContact O-N 3.13Å
963	F	28.7	Very low	27.5	Very low	202 Å²	202	145.7 Å²	145.7	89%	0.886	76%	0.761	S	S	*	*			trans	-126.9	100	148.2	-118.8	-82.4	0	0	0	107.6	Y961	Y961-F963 PolarHBondContact O-N 2.89Å
964	E	30.5	Very low	27.6	Very low	160 Å²	160	142.6 Å²	142.6	75%	0.748	76%	0.755	S	S	*	*			trans	-73.9	151.5	178.9	-70.1	-174.8	118.6	0	0	111.5
965	Q	27.1	Very low	27.7	Very low	165 Å²	165	138.1 Å²	138.1	77%	0.771	75%	0.753	S	S	*	*			trans	-18.4	135.5	166.6	-51.3	173.6	15.8	0	0	116.2
966	H	30.4	Very low	27.6	Very low	158 Å²	158	141.3 Å²	141.3	73%	0.731	76%	0.764	S	S	*	*				-164.9	141.9	110.4	-105.5	-66.3	0	0	0	114.4
967	N	29.3	Very low	27.9	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	76%	0.76	S	S	*	*			trans	64.9	89.4	148.5	-56.7	-13.3	0	0	0	120
968	S	28.1	Very low	27.7	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	76%	0.758	S	S	*	*				-4.3	145.4	124.2	60.3	0	0	0	0	119.5
969	L	27.1	Very low	27.7	Very low	168 Å²	168	144.1 Å²	144.1	88%	0.88	77%	0.77	S	S	*	*			trans	66.3	116.3	160.7	-57.8	159.8	0	0	0	114.5
970	S	28.5	Very low	27.7	Very low	108 Å²	108	144.4 Å²	144.4	76%	0.755	77%	0.766	S	S	*	*			cis	-174.2	146.8	44.9	49.8	0	0	0	0	111.6
971	S	26.8	Very low	27.6	Very low	127 Å²	127	141.2 Å²	141.2	89%	0.888	76%	0.761	S	S	*	*			trans	-110	100.1	174	44	0	0	0	0	112.2
972	S	28.4	Very low	27.6	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	76%	0.755	S	S	*	*			trans	-144.5	94.4	169.2	62.8	0	0	0	0	112.6
973	S	25.5	Very low	27.5	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	76%	0.762	S	S	*	*			trans	55.6	133.3	146.4	58.4	0	0	0	0	122.4
974	T	26.5	Very low	27.5	Very low	127 Å²	127	135 Å²	135	78%	0.779	76%	0.762	S	S	*	*			trans	80.8	135.9	140.3	45.2	0	0	0	0	122.9
975	S	28.9	Very low	27.2	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	77%	0.766	S	S	*	*			trans	64.4	106.8	151.5	50	0	0	0	0	121.6
976	L	23.5	Very low	27.3	Very low	165 Å²	165	136.4 Å²	136.4	86%	0.864	77%	0.765	S	S	*	*				18.1	153.3	109.1	-67.5	171.6	0	0	0	119.5
977	P	30.6	Very low	27.3	Very low	105 Å²	105	138.8 Å²	138.8	68%	0.682	77%	0.767	S	S	*	*			cis	-138	-176.3	-5	36.2	-14.7	0	0	0	116
978	F	23.7	Very low	27.4	Very low	189 Å²	189	140.3 Å²	140.3	83%	0.829	77%	0.77	S	S	*	*			trans	16.8	130.5	149.9	-82.3	-106	0	0	0	121.1
979	Q	27.8	Very low	27.5	Very low	181 Å²	181	142.6 Å²	142.6	85%	0.846	77%	0.774	S	S	*	*				-179.5	131.3	105.8	-98.9	-175.1	9	0	0	116.9
980	H	28	Very low	27.7	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.727	76%	0.763	S	S	*	*			trans	38.7	108.8	134.8	-85.1	-95.6	0	0	0	124.4
981	S	25.5	Very low	27.9	Very low	91 Å²	91	141.1 Å²	141.1	64%	0.636	77%	0.766	S	S	*	*				94.2	166.8	104.8	80.9	0	0	0	0	124.2
982	T	27.7	Very low	28	Very low	122 Å²	122	143.1 Å²	143.1	75%	0.748	77%	0.766	S	S	*	*			trans	79.3	87.9	162.5	54.6	0	0	0	0	121.5
983	S	24.7	Very low	28	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	77%	0.77	S	S	*	*				41.1	138.4	119.7	66.9	0	0	0	0	123
984	I	29.8	Very low	28.3	Very low	176 Å²	176	145.6 Å²	145.6	90%	0.903	78%	0.775	S	S	*	*			trans	-146.4	155.3	134.9	-103.9	150.5	0	0	0	109.7
985	R	23.9	Very low	28.6	Very low	217 Å²	217	148.1 Å²	148.1	82%	0.819	78%	0.776	S	S	*	*			trans	-110.9	179.6	-172.6	-67	178.2	172.7	171.5	-3.3	112.7
986	N	29.5	Very low	28.6	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	78%	0.777	S	S	*	*			trans	97	140.5	163.4	-53.3	-39.1	0	0	0	114.7
987	R	29.2	Very low	29.1	Very low	208 Å²	208	146.5 Å²	146.5	79%	0.785	77%	0.772	S	S	*	*			cis	-144	133	2.5	-103.8	139.9	-176.3	-172.9	1.5	108.3
988	Q	30.6	Very low	29.1	Very low	162 Å²	162	146.8 Å²	146.8	76%	0.757	78%	0.775	S	S	*	*				55.8	109.3	94.6	-71.8	-174	-61.4	0	0	116.8
989	N	30.4	Very low	29.6	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	77%	0.773	S	S	*	*				176.8	138.2	106.4	-94.1	-5.8	0	0	0	114.7
990	S	33.1	Very low	30	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	77%	0.765	S	S	*	*			trans	40.5	139.5	144	62.3	0	0	0	0	122.2
991	D	31.1	Very low	30.1	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	77%	0.769	S	S	*	*			cis	-168.2	-176.8	-4.4	-103.2	-31.7	0	0	0	110.2
992	L	30.1	Very low	30.3	Very low	170 Å²	170	144.6 Å²	144.6	89%	0.89	78%	0.781	S	S	*	*			trans	89.7	91.4	169.5	-55	174.3	0	0	0	117.7
993	T	28.2	Very low	30.5	Very low	122 Å²	122	143 Å²	143	75%	0.748	78%	0.78	S	S	*	*			trans	-107.3	144.1	158.5	51.9	0	0	0	0	111.2
994	P	31.8	Very low	30.8	Very low	129 Å²	129	144 Å²	144	84%	0.838	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.3	122.4	164	33	-27.9	0	0	0	110.9
995	F	32.5	Very low	30.9	Very low	180 Å²	180	140.6 Å²	140.6	79%	0.789	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-74	146.5	168.4	-86	-103.9	0	0	0	111.1
996	C	28.8	Very low	31.3	Very low	113 Å²	113	136.8 Å²	136.8	76%	0.764	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-91.5	133.2	161.6	-174.2	0	0	0	0	110
997	T	34.1	Very low	31.2	Very low	122 Å²	122	134.2 Å²	134.2	75%	0.748	78%	0.781	S	S	*	*			trans	-125.3	81.8	-175.3	56.2	0	0	0	0	111.7
998	C	30.8	Very low	31.4	Very low	112 Å²	112	128.7 Å²	128.7	76%	0.757	77%	0.774	S	S	*	*			trans	-93.5	121.3	177	-72.9	0	0	0	0	112.1	S1000	C998-S1000 PolarHBondContact O-N 3.07Å
999	P	35	Very low	31.5	Very low	120 Å²	120	126.9 Å²	126.9	78%	0.779	78%	0.779	S	S	*	*			trans	-84.6	102.1	-173.9	31.9	-34.6	0	0	0	114.4
1000	S	36.1	Very low	31.8	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	78%	0.782	S	S	*	*			trans	38.6	116	136.6	65	0	0	0	0	121.8	C998	C998-S1000 PolarHBondContact O-N 3.07Å
1001	N	28.5	Very low	32	Very low	154 Å²	154	127.5 Å²	127.5	82%	0.824	77%	0.773	S	S	*	*				53.7	125.9	130	-65.2	-26.7	0	0	0	121.9
1002	K	31.6	Very low	31.9	Very low	201 Å²	201	124 Å²	124	87%	0.874	76%	0.759	S	S	*	*				-175.4	134.5	104.6	-100.6	163.8	-175.4	175.6	0	113.8
1003	A	31.3	Very low	32.5	Very low	90 Å²	90	121.1 Å²	121.1	74%	0.744	75%	0.753	S	S	*	*			trans	62	143	155.8	0	0	0	0	0	118.3
1004	T	31.5	Very low	32.7	Very low	125 Å²	125	124.6 Å²	124.6	77%	0.767	76%	0.758	S	S	*	*			cis	-162.8	149.9	-9.1	13.6	0	0	0	0	108.3
1005	S	31.3	Very low	33.1	Very low	104 Å²	104	122.2 Å²	122.2	73%	0.727	74%	0.744	S	S	*	*			trans	41.9	123	150.1	65.1	0	0	0	0	119.6
1006	T	32.6	Very low	33.1	Very low	137 Å²	137	120.3 Å²	120.3	84%	0.84	74%	0.741	S	S	*	*			cis	-157.3	146.8	21	49	0	0	0	0	112.6
1007	G	26.8	Very low	33.4	Very low	84 Å²	84	119.6 Å²	119.6	87%	0.866	74%	0.738	S	S	*	*			trans	78	39.2	132.4	0	0	0	0	0	120.5
1008	S	33.7	Very low	33.4	Very low	92 Å²	92	121.3 Å²	121.3	64%	0.643	74%	0.737	S	S	*	*			trans	-149.3	149.5	155.5	68.9	0	0	0	0	111.9	Q1010	S1008-Q1010 PolarHBondContact O-N 2.93Å
1009	S	32	Very low	33.5	Very low	124 Å²	124	121.7 Å²	121.7	87%	0.867	74%	0.741	S	S	*	*			trans	-88.7	77.4	-178.6	56.9	0	0	0	0	111.2
1010	Q	37.3	Very low	33.1	Very low	176 Å²	176	123.7 Å²	123.7	82%	0.822	74%	0.743	S	S	*	*			trans	-81	127.1	173	-71.7	-172.8	-33	0	0	111.3	S1008	S1008-Q1010 PolarHBondContact O-N 2.93Å
1011	V	36.2	Very low	32.9	Very low	73 Å²	73	128 Å²	128	44%	0.442	75%	0.753	S	S	.	*			trans	-68.4	149	168.7	-178.7	0	0	0	0	109	S1013 L1016	V1011-S1013 PolarHBondContact O-N 2.92Å; V1011-L1016 HydrophobicContact CG1-CD2 4.22Å
1012	C	29.9	Very low	32.8	Very low	79 Å²	79	125.6 Å²	125.6	53%	0.534	75%	0.748	S	S	.	*			trans	-66.1	105.6	171.6	-174.9	0	0	0	0	110	F1014 C1015 L1016	C1012-F1014 PolarHBondContact O-N 3.43Å; C1012-C1015 PolarHBondContact O-N 3.2Å; C1012-L1016 PolarHBondContact O-N 3.46Å
1013	S	43.4	Very low	32.6	Very low	110 Å²	110	121.6 Å²	121.6	77%	0.769	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-1.4	-175.8	51.4	0	0	0	0	115.3	V1011	V1011-S1013 PolarHBondContact O-N 2.92Å
1014	F	32.4	Very low	32.5	Very low	195 Å²	195	121.9 Å²	121.9	86%	0.855	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	2.7	-176.5	-115.2	-87.7	0	0	0	114.6	C1012	C1012-F1014 PolarHBondContact O-N 3.43Å
1015	C	38.7	Very low	32.4	Very low	79 Å²	79	124.1 Å²	124.1	53%	0.534	75%	0.748	S	S	.	*	T	Hydrogen-bonded Turn	trans	-150	-20.1	179	59.7	0	0	0	0	116.7	C1012 S1017	C1012-C1015 PolarHBondContact O-N 3.2Å; C1015-S1017 PolarHBondContact O-N 3.34Å
1016	L	34.1	Very low	32.3	Very low	141 Å²	141	129 Å²	129	74%	0.738	76%	0.756	S	S	*	*			trans	53.5	-5.2	176.7	-70.7	176	0	0	0	118.5	V1011 C1012 Q1018	V1011-L1016 HydrophobicContact CG1-CD2 4.22Å; C1012-L1016 PolarHBondContact O-N 3.46Å; L1016-Q1018 PolarHBondContact O-N 3.02Å
1017	S	34.3	Very low	32.2	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	75%	0.75	S	S	*	*			trans	-71.2	109.5	178.7	60.2	0	0	0	0	111.8	C1015	C1015-S1017 PolarHBondContact O-N 3.34Å
1018	Q	34	Very low	32.1	Very low	158 Å²	158	131.2 Å²	131.2	74%	0.738	75%	0.751	S	S	*	*			trans	-105.9	138.8	157.6	-72.8	-162.8	-8.3	0	0	110.4	L1016	L1016-Q1018 PolarHBondContact O-N 3.02Å
1019	S	33.4	Very low	31.8	Very low	119 Å²	119	134.6 Å²	134.6	83%	0.832	76%	0.761	S	S	*	*			trans	-78.4	137.9	-176.6	47.2	0	0	0	0	112.3
1020	I	26.2	Very low	31.6	Very low	162 Å²	162	137 Å²	137	83%	0.831	76%	0.764	S	S	*	*			trans	-77.9	126.7	174.8	-58.2	166.9	0	0	0	109.8
1021	E	30.7	Very low	30.9	Very low	186 Å²	186	136.5 Å²	136.5	87%	0.869	77%	0.766	S	S	*	*			trans	-131.5	131.1	154.5	-73.2	-160.6	146.9	0	0	111.9
1022	S	28.2	Very low	30.4	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	78%	0.781	S	S	*	*			trans	-48.6	143.9	-173.4	50	0	0	0	0	119.6
1023	C	26.9	Very low	30.4	Very low	117 Å²	117	144 Å²	144	79%	0.791	80%	0.798	S	S	*	*				179.6	101.8	118.4	-88.2	0	0	0	0	108.8
1024	S	28.7	Very low	29.5	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	80%	0.803	S	S	*	*				77.4	85.9	75.1	73.8	0	0	0	0	115.4
1025	D	30	Very low	29.2	Very low	172 Å²	172	143.8 Å²	143.8	92%	0.92	80%	0.803	S	S	*	*				-151.9	159.8	124.9	-102.8	-32.6	0	0	0	109.4
1026	K	29.2	Very low	28.7	Very low	205 Å²	205	145.3 Å²	145.3	89%	0.891	81%	0.811	S	S	*	*			trans	-136.5	129.8	-164	-69.8	-174.8	175.8	-172.1	0	114.8
1027	S	30.3	Very low	28.2	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	81%	0.806	S	S	*	*	S	Bend	trans	-158.3	101.5	141.1	56.5	0	0	0	0	110.3
1028	D	24.9	Very low	27.9	Very low	167 Å²	167	145.5 Å²	145.5	89%	0.893	80%	0.804	S	S	*	*			trans	50.8	69	151.5	-50.2	-21.9	0	0	0	118.8
1029	L	26.8	Very low	27.5	Very low	162 Å²	162	143.9 Å²	143.9	85%	0.848	81%	0.809	S	S	*	*			trans	-122.5	126.9	155.7	-78.4	169.4	0	0	0	109.6
1030	L	27.3	Very low	27.5	Very low	176 Å²	176	141.4 Å²	141.4	92%	0.921	78%	0.784	S	S	*	*			trans	-105.4	105	175.7	-74.7	171.7	0	0	0	110.1
1031	L	23	Very low	27.6	Very low	165 Å²	165	137.3 Å²	137.3	86%	0.864	77%	0.768	S	S	*	*			trans	-104	133.5	173.1	-69.6	170.4	0	0	0	110.6
1032	P	26.9	Very low	27.5	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	74%	0.744	S	S	*	*			trans	-117.5	112.4	157.8	32.9	-20	0	0	0	112
1033	E	28.1	Very low	27.6	Very low	192 Å²	192	133.4 Å²	133.4	90%	0.897	74%	0.735	S	S	*	*			trans	41	134.4	145.4	-55.6	-172.6	158.7	0	0	121.8
1034	T	25.4	Very low	27.6	Very low	144 Å²	144	131.3 Å²	131.3	88%	0.883	72%	0.722	S	S	*	*			trans	-77.9	130.7	-171.9	51.1	0	0	0	0	114.6
1035	N	27.1	Very low	27.5	Very low	157 Å²	157	136.4 Å²	136.4	84%	0.84	73%	0.727	S	S	*	*			trans	-115.1	148.9	164.7	-98.5	-48.5	0	0	0	111.4	I1037	N1035-I1037 PolarHBondContact O-N 3.36Å
1036	P	26.8	Very low	27.2	Very low	110 Å²	110	133.9 Å²	133.9	71%	0.714	72%	0.721	S	S	*	*			trans	-77.7	116	-176.2	29.8	-33.8	0	0	0	113.5	N1038	P1036-N1038 PolarHBondContact O-N 3.5Å
1037	I	24.4	Very low	27	Very low	123 Å²	123	133 Å²	133	63%	0.631	72%	0.719	S	S	*	*			trans	36.5	78.9	151.2	-42.3	-178.1	0	0	0	116.7	N1035	N1035-I1037 PolarHBondContact O-N 3.36Å
1038	N	28	Very low	26.9	Very low	120 Å²	120	136.1 Å²	136.1	64%	0.642	72%	0.72	S	S	*	*			trans	-84.4	131.2	164.3	-90.4	-17.1	0	0	0	112.9	P1036 H1040	P1036-N1038 PolarHBondContact O-N 3.5Å; N1038-H1040 PolarHBondContact O-N 3.5Å
1039	C	25.9	Very low	26.8	Very low	125 Å²	125	135.2 Å²	135.2	85%	0.845	71%	0.71	S	S	*	*			trans	-80.1	90.1	168.5	-73.4	0	0	0	0	111.2
1040	H	32	Very low	26.7	Very low	66 Å²	66	136.1 Å²	136.1	31%	0.306	71%	0.71	S	S	.	*			trans	-83.5	155.5	170.7	-82.5	-108.4	0	0	0	112.7	R313 N1038 H1043	R313-H1040 PolarHBondContact NH2-O 2.83Å; N1038-H1040 PolarHBondContact O-N 3.5Å; H1040-H1043 PolarHBondContact CE1-O 3.37Å; H1040-H1043 VanDerWaalsContact CE1-O 3.26Å
1041	P	29	Very low	26.5	Very low	77 Å²	77	137.6 Å²	137.6	50%	0.5	71%	0.705	S	S	.	*	S	Bend	cis	-133.7	111.2	22.2	35.8	-15.9	0	0	0	116.9
1042	Y	28.2	Very low	26.6	Very low	92 Å²	92	134.5 Å²	134.5	36%	0.361	70%	0.695	S	S	.	*	S	Bend	trans	-136.7	-11.7	149.8	-93.6	-74.6	0	0	0	113.9	T539 C542 S1044 N1167 W1206	T539-Y1042 HydrophobicContact CG2-CE1 4.12Å; C542-Y1042 HydrophobicContact CB-CE2 3.79Å; Y1042-S1044 PolarHBondContact O-N 3.12Å; Y1042-N1167 PolarHBondContact OH-ND2 3.31Å; Y1042-W1206 HydrophobicContact CE2-CZ3 4.16Å
1043	H	30.5	Very low	26.5	Very low	117 Å²	117	137.3 Å²	137.3	54%	0.542	70%	0.703	S	S	.	*	S	Bend	trans	-101.1	53	-179.6	-77.5	-68.2	0	0	0	114.1	H1040 F1048	H1040-H1043 PolarHBondContact CE1-O 3.37Å; H1040-H1043 VanDerWaalsContact CE1-O 3.26Å; H1043-F1048 AromaticContact CE1-CE2 3.65Å; H1043-F1048 AromaticContact CE1-CZ 3.72Å; H1043-F1048 AromaticContact ND1-CD2 3.76Å; H1043-F1048 AromaticContact ND1-CE2 3.73Å
1044	S	26.5	Very low	26.4	Very low	73 Å²	73	132.5 Å²	132.5	51%	0.51	70%	0.695	S	S	.	*			trans	-143.9	55	175.5	54.8	0	0	0	0	113.1	Y1042	Y1042-S1044 PolarHBondContact O-N 3.12Å
1045	Y	26.2	Very low	26.6	Very low	202 Å²	202	130.9 Å²	130.9	79%	0.792	69%	0.69	S	S	*	*	S	Bend	trans	-134.5	145.4	152.1	-87.8	-81.6	0	0	0	109.1	H1047	Y1045-H1047 PolarHBondContact O-N 3.36Å
1046	P	24.3	Very low	26.4	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	83.5	-156.3	33.7	-36.9	0	0	0	113.9
1047	H	26.4	Very low	26.5	Very low	187 Å²	187	132.5 Å²	132.5	87%	0.866	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	-4.1	150.7	-105	-68.2	0	0	0	115	Y1045 Q1049	Y1045-H1047 PolarHBondContact O-N 3.36Å; H1047-Q1049 PolarHBondContact O-N 2.85Å
1048	F	26.7	Very low	26.8	Very low	167 Å²	167	131.1 Å²	131.1	73%	0.732	70%	0.7	S	S	*	*			trans	-75.7	55.9	164.4	-95	-91.6	0	0	0	111.9	H1043 Q1050	H1043-F1048 AromaticContact CE1-CE2 3.65Å; H1043-F1048 AromaticContact CE1-CZ 3.72Å; H1043-F1048 AromaticContact ND1-CD2 3.76Å; H1043-F1048 AromaticContact ND1-CE2 3.73Å; F1048-Q1050 PolarHBondContact O-N 2.84Å
1049	Q	23.9	Very low	26.8	Very low	147 Å²	147	132 Å²	132	69%	0.687	70%	0.704	S	S	*	*			trans	-75.4	117.4	153.5	-84.6	-172.1	-19.8	0	0	108	H1047 Y1051	H1047-Q1049 PolarHBondContact O-N 2.85Å; Q1049-Y1051 PolarHBondContact O-N 2.86Å
1050	Q	24.9	Very low	27.2	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	71%	0.709	S	S	*	*			trans	-54.5	110.5	143.8	-70.7	177.2	-19.6	0	0	106	F1048 P1052	F1048-Q1050 PolarHBondContact O-N 2.84Å; Q1050-P1052 WeakPolarHBondContact O-CD 3.47Å
1051	Y	22.4	Very low	26.9	Very low	208 Å²	208	141.1 Å²	141.1	82%	0.816	73%	0.734	S	S	*	*			trans	-58.1	114.7	167.1	-95.1	-85.6	0	0	0	107	Q1049	Q1049-Y1051 PolarHBondContact O-N 2.86Å
1052	P	25.6	Very low	27.1	Very low	100 Å²	100	146.1 Å²	146.1	65%	0.649	75%	0.75	S	S	*	*			trans	-63.7	146.5	-176.1	-21.6	34.3	0	0	0	109.5	Q1050 A1054	Q1050-P1052 WeakPolarHBondContact O-CD 3.47Å; P1052-A1054 PolarHBondContact O-N 3.41Å
1053	L	24.2	Very low	27.3	Very low	176 Å²	176	150.4 Å²	150.4	92%	0.921	77%	0.773	S	S	*	*			trans	-61.6	94.2	158.3	-82.5	160.7	0	0	0	107.2	S1055	L1053-S1055 VanDerWaalsContact C-N 3.33Å; L1053-S1055 PolarHBondContact O-N 3.32Å
1054	A	26.4	Very low	27.2	Very low	90 Å²	90	152.7 Å²	152.7	74%	0.744	79%	0.789	S	S	*	*			trans	-66.1	90.1	-174.2	0	0	0	0	0	110.5	P1052 N1056	P1052-A1054 PolarHBondContact O-N 3.41Å; A1054-N1056 PolarHBondContact O-N 2.95Å; A1054-N1056 VanDerWaalsContact O-N 3.17Å
1055	S	28.5	Very low	27.3	Very low	111 Å²	111	157.6 Å²	157.6	78%	0.776	80%	0.804	S	S	*	*			trans	-66.2	109.4	174.5	43.5	0	0	0	0	109.7	L1053 T1057	L1053-S1055 VanDerWaalsContact C-N 3.33Å; L1053-S1055 PolarHBondContact O-N 3.32Å; S1055-T1057 PolarHBondContact O-N 3.11Å; S1055-T1057 VanDerWaalsContact O-N 3.16Å
1056	N	23.9	Very low	27.4	Very low	162 Å²	162	154 Å²	154	87%	0.866	81%	0.806	S	S	*	*			trans	-50.6	118.7	178.6	-75.6	-52.7	0	0	0	112.7	A1054	A1054-N1056 PolarHBondContact O-N 2.95Å; A1054-N1056 VanDerWaalsContact O-N 3.17Å
1057	T	28.8	Very low	27.5	Very low	139 Å²	139	156.6 Å²	156.6	85%	0.853	81%	0.812	S	S	*	*			trans	-161.9	139.1	134.5	28.9	0	0	0	0	107.8	S1055	S1055-T1057 PolarHBondContact O-N 3.11Å; S1055-T1057 VanDerWaalsContact O-N 3.16Å
1058	S	30.8	Very low	27.6	Very low	94 Å²	94	153 Å²	153	66%	0.657	81%	0.808	S	S	*	*			cis	-154.8	153.5	14.3	56.7	0	0	0	0	113.8
1059	N	28.4	Very low	27.7	Very low	138 Å²	138	150.4 Å²	150.4	74%	0.738	81%	0.811	S	S	*	*			trans	54.6	90.3	146.5	-58.4	-14.3	0	0	0	119.3
1060	H	33.5	Very low	27.8	Very low	203 Å²	203	146.4 Å²	146.4	94%	0.94	81%	0.809	S	S	*	*				-137.5	138	121	-101.6	-83.6	0	0	0	109.4
1061	Q	26.4	Very low	27.9	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	79%	0.793	S	S	*	*			trans	-97.6	113.6	-172.8	-67.1	176.6	-34.9	0	0	111.1
1062	H	32.6	Very low	28.1	Very low	181 Å²	181	143.6 Å²	143.6	84%	0.838	80%	0.799	S	S	*	*			trans	-146	114.8	155.9	-97.5	-78.9	0	0	0	112
1063	H	32.7	Very low	28.3	Very low	182 Å²	182	147.1 Å²	147.1	84%	0.843	80%	0.804	S	S	*	*			trans	24.2	121.2	163.1	-71	-86.6	0	0	0	121.7
1064	N	28.2	Very low	28.9	Very low	165 Å²	165	144 Å²	144	88%	0.882	79%	0.785	S	S	*	*			trans	-61.6	131.9	175.4	-54.1	-44.3	0	0	0	114.4
1065	Q	28.2	Very low	29.4	Very low	177 Å²	177	144.7 Å²	144.7	83%	0.827	78%	0.782	S	S	*	*			trans	-130.7	146.1	133.9	-71.9	-162.5	3.1	0	0	108.9	L1067	Q1065-L1067 PolarHBondContact O-N 3.07Å
1066	P	28.1	Very low	30.3	Very low	127 Å²	127	142.9 Å²	142.9	83%	0.825	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-77.8	122.4	-175.8	30.3	-33	0	0	0	111.1	S1068	P1066-S1068 PolarHBondContact O-N 2.98Å
1067	L	27.5	Very low	31.8	Very low	173 Å²	173	136 Å²	136	91%	0.906	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-63.6	119.9	164.3	-89	78.8	0	0	0	108.8	Q1065	Q1065-L1067 PolarHBondContact O-N 3.07Å
1068	S	28.4	Very low	33.9	Very low	111 Å²	111	130 Å²	130	78%	0.776	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-60.3	149	171.3	48.2	0	0	0	0	111.1	P1066 G1070	P1066-S1068 PolarHBondContact O-N 2.98Å; S1068-G1070 PolarHBondContact O-N 3.45Å
1069	S	27.8	Very low	36.7	Very low	113 Å²	113	125.5 Å²	125.5	79%	0.79	66%	0.66	S	S	*	*			trans	-55.3	105.9	-176.7	53.2	0	0	0	0	112.9	T1071	S1069-T1071 PolarHBondContact O-N 2.6Å
1070	G	27.5	Very low	39.8	Very low	64 Å²	64	119.7 Å²	119.7	66%	0.66	63%	0.631	S	S	*	*			trans	-65	113.6	168.4	0	0	0	0	0	110.2	S1068 W1072	S1068-G1070 PolarHBondContact O-N 3.45Å; G1070-W1072 PolarHBondContact O-N 2.92Å
1071	T	27	Very low	42.8	Very low	82 Å²	82	110.2 Å²	110.2	50%	0.503	59%	0.587	S	S	.	*			trans	-72.4	108.3	178.2	-52.1	0	0	0	0	109.5	V942 S1069 K1073	V942-T1071 HydrophobicContact CG1-CG2 4.23Å; S1069-T1071 PolarHBondContact O-N 2.6Å; T1071-K1073 PolarHBondContact O-N 2.96Å
1072	W	26.5	Very low	46.2	Very low	247 Å²	247	101.9 Å²	101.9	94%	0.936	55%	0.549	S	S	*	.			trans	-59	107.1	164.9	-66.7	87.3	0	0	0	108.6	G1070	G1070-W1072 PolarHBondContact O-N 2.92Å
1073	K	29.8	Very low	49.2	Very low	174 Å²	174	93.2 Å²	93.2	76%	0.757	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-70.7	128.2	161	-68.8	-176.5	178.2	-179	0	106.9	T1071	T1071-K1073 PolarHBondContact O-N 2.96Å
1074	E	35.8	Very low	52.3	Low	112 Å²	112	84.6 Å²	84.6	52%	0.523	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-65	135.4	166.4	-63.6	-174.7	136.2	0	0	108	W927 L1076	W927-E1074 VanDerWaalsContact CH2-OE1 3.26Å; W927-E1074 WeakPolarHBondContact CH2-OE1 3.43Å; E1074-L1076 PolarHBondContact O-N 3.14Å
1075	P	36.4	Very low	55.6	Low	104 Å²	104	76.9 Å²	76.9	68%	0.675	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-56.1	139	-177.8	-27.2	35.3	0	0	0	112.2	L1077	P1075-L1077 VanDerWaalsContact C-N 3.34Å; P1075-L1077 PolarHBondContact O-N 3.3Å
1076	L	48.2	Very low	58.9	Low	73 Å²	73	68.6 Å²	68.6	38%	0.382	39%	0.389	S	S	.	.	S	Bend	trans	-70	88.1	-175.9	-75.1	168	0	0	0	111.2	E1074 G1078	E1074-L1076 PolarHBondContact O-N 3.14Å; L1076-G1078 PolarHBondContact O-N 3.41Å
1077	L	56.1	Low	62.2	Low	16 Å²	16	62.5 Å²	62.5	8%	0.084	35%	0.35	C	S	.	.	S	Bend	trans	50.2	6	-179.7	-148.4	80.5	0	0	0	117.4	E884 N885 P1075 L1079 R1217 E1219	E884-L1077 WeakPolarHBondContact O-CD2 3.33Å; N885-L1077 HydrophobicContact CB-CB 4.36Å; P1075-L1077 VanDerWaalsContact C-N 3.34Å; P1075-L1077 PolarHBondContact O-N 3.3Å; L1077-L1079 HydrophobicContact CD2-CD2 4.06Å; L1077-L1079 HydrophobicContact CD2-CG 4.47Å; L1077-L1079 HydrophobicContact CG-CD2 4.04Å; L1077-L1079 VanDerWaalsContact O-CD2 3.22Å; L1077-L1079 WeakPolarHBondContact O-CD2 3.23Å; L1077-L1079 WeakPolarHBondContact O-CG 3.4Å; L1077-L1079 PolarHBondContact O-N 2.8Å; L1077-R1217 VanDerWaalsContact C-NH1 3.33Å; L1077-R1217 PolarHBondContact O-NH1 3.45Å; L1077-E1219 HydrophobicContact CD1-CB 3.92Å; L1077-E1219 HydrophobicContact CD1-CG 3.68Å; L1077-E1219 HydrophobicContact CD2-CB 4.28Å
1078	G	71.7	Confident	65.5	Low	14 Å²	14	54.3 Å²	54.3	14%	0.144	31%	0.307	C	S	.	.			trans	-37.4	102.8	-171.7	0	0	0	0	0	114.7	L1076 G1122 R1217	L1076-G1078 PolarHBondContact O-N 3.41Å; G1078-G1122 WeakPolarHBondContact CA-O 3.47Å; G1078-R1217 PolarHBondContact O-NH1 2.89Å; G1078-R1217 PolarHBondContact O-NH2 3.4Å
1079	L	90.7	Very high	68.8	Low	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.			trans	-81.9	158.3	-168.8	-64.7	-174.8	0	0	0	111.5	W883 L1077 E1083 Y1123 S1124	W883-L1079 HydrophobicContact CB-CD1 4.09Å; W883-L1079 HydrophobicContact CD2-CD1 3.58Å; W883-L1079 HydrophobicContact CE3-CD1 3.96Å; W883-L1079 HydrophobicContact CG-CD1 3.66Å; L1077-L1079 HydrophobicContact CD2-CD2 4.06Å; L1077-L1079 HydrophobicContact CD2-CG 4.47Å; L1077-L1079 HydrophobicContact CG-CD2 4.04Å; L1077-L1079 VanDerWaalsContact O-CD2 3.22Å; L1077-L1079 WeakPolarHBondContact O-CD2 3.23Å; L1077-L1079 WeakPolarHBondContact O-CG 3.4Å; L1077-L1079 PolarHBondContact O-N 2.8Å; L1079-E1083 HydrophobicContact CB-CB 4.48Å; L1079-E1083 HydrophobicContact CD1-CB 4.35Å; L1079-E1083 HydrophobicContact CD2-CB 4.34Å; L1079-E1083 HydrophobicContact CD2-CG 3.86Å; L1079-Y1123 HydrophobicContact CB-CD1 4.21Å; L1079-Y1123 HydrophobicContact CB-CD2 3.8Å; L1079-Y1123 HydrophobicContact CB-CE1 4.22Å; L1079-Y1123 HydrophobicContact CB-CE2 3.83Å; L1079-Y1123 HydrophobicContact CB-CG 4Å; L1079-Y1123 HydrophobicContact CD1-CE2 3.75Å; L1079-Y1123 HydrophobicContact CG-CD2 4.4Å; L1079-Y1123 HydrophobicContact CG-CE1 4.03Å; L1079-Y1123 HydrophobicContact CG-CE2 3.94Å; L1079-Y1123 VanDerWaalsContact N-CD1 3.32Å; L1079-Y1123 WeakPolarHBondContact O-CB 3.3Å; L1079-S1124 PolarHBondContact O-N 2.89Å
1080	S	93.4	Very high	72.1	Confident	16 Å²	16	43.8 Å²	43.8	11%	0.112	23%	0.233	C	C	.	.			trans	-143.5	-169.7	178	61.9	0	0	0	0	111.4	A1082 E1083 S1124 E1211 R1214	S1080-A1082 VanDerWaalsContact C-N 3.28Å; S1080-A1082 PolarHBondContact O-N 2.96Å; S1080-A1082 VanDerWaalsContact O-N 3.07Å; S1080-E1083 PolarHBondContact N-OE2 2.94Å; S1080-E1083 PolarHBondContact O-N 2.8Å; S1080-S1124 VanDerWaalsContact CB-O 3.3Å; S1080-S1124 WeakPolarHBondContact CB-O 3.49Å; S1080-E1211 WeakPolarHBondContact CB-OE2 3.3Å; S1080-E1211 PolarHBondContact OG-OE2 3.39Å; S1080-R1214 PolarHBondContact OG-NH2 3.38Å
1081	D	96.7	Very high	75.4	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-55.3	-35.1	-161.4	-58.5	-7.6	0	0	0	114.9	E1083 Y1084 L1085 V1125 S1126 L1129 I1207 E1211	D1081-E1083 VanDerWaalsContact C-N 3.28Å; D1081-E1083 PolarHBondContact O-N 3.35Å; D1081-Y1084 PolarHBondContact O-N 3.49Å; D1081-L1085 VanDerWaalsContact O-CB 3.25Å; D1081-L1085 WeakPolarHBondContact O-CB 3.23Å; D1081-L1085 VanDerWaalsContact O-CG 3.23Å; D1081-L1085 WeakPolarHBondContact O-CG 3.29Å; D1081-L1085 PolarHBondContact O-N 3.01Å; D1081-V1125 VanDerWaalsContact OD1-CA 3.31Å; D1081-V1125 WeakPolarHBondContact OD1-CA 3.45Å; D1081-S1126 PolarHBondContact OD1-N 3.36Å; D1081-S1126 VanDerWaalsContact OD2-CB 3.23Å; D1081-S1126 WeakPolarHBondContact OD2-CB 3.47Å; D1081-S1126 PolarHBondContact OD2-OG 3.2Å; D1081-L1129 HydrophobicContact CB-CB 4.38Å; D1081-L1129 HydrophobicContact CB-CD2 3.89Å; D1081-I1207 HydrophobicContact CB-CG2 4.05Å; D1081-E1211 HydrophobicContact CB-CB 3.92Å; D1081-E1211 HydrophobicContact CB-CG 4Å; D1081-E1211 PolarHBondContact N-OE2 3.15Å; D1081-E1211 VanDerWaalsContact N-OE2 3.15Å
1082	A	96.2	Very high	78.7	Confident	5 Å²	5	36.9 Å²	36.9	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-31.1	-179.9	0	0	0	0	0	113.7	S1080 A1086 E1211 R1214	S1080-A1082 VanDerWaalsContact C-N 3.28Å; S1080-A1082 PolarHBondContact O-N 2.96Å; S1080-A1082 VanDerWaalsContact O-N 3.07Å; A1082-A1086 WeakPolarHBondContact O-CB 3.48Å; A1082-A1086 PolarHBondContact O-N 3.26Å; A1082-E1211 PolarHBondContact N-OE2 3.1Å; A1082-E1211 VanDerWaalsContact N-OE2 3.12Å; A1082-R1214 HydrophobicContact CB-CB 4.33Å; A1082-R1214 VanDerWaalsContact CB-CZ 3.48Å; A1082-R1214 WeakPolarHBondContact CB-O 3.47Å
1083	E	96.5	Very high	82.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-77.2	-40.7	177.7	-75	82.6	-141.7	0	0	112.4	W883 L1079 S1080 D1081 A1086 A1087 R1214 P1216 R1217 A1220	W883-E1083 HydrophobicContact CH2-CB 4.42Å; L1079-E1083 HydrophobicContact CB-CB 4.48Å; L1079-E1083 HydrophobicContact CD1-CB 4.35Å; L1079-E1083 HydrophobicContact CD2-CB 4.34Å; L1079-E1083 HydrophobicContact CD2-CG 3.86Å; S1080-E1083 PolarHBondContact N-OE2 2.94Å; S1080-E1083 PolarHBondContact O-N 2.8Å; D1081-E1083 VanDerWaalsContact C-N 3.28Å; D1081-E1083 PolarHBondContact O-N 3.35Å; E1083-A1086 PolarHBondContact O-N 3.5Å; E1083-A1087 PolarHBondContact O-N 3.47Å; E1083-R1214 IonicContact OE1-CZ 3.76Å; E1083-R1214 IonicContact OE1-NH1 2.78Å; E1083-R1214 PolarHBondContact OE1-NH1 3.02Å; E1083-R1214 IonicContact OE1-NH2 3.81Å; E1083-R1214 PolarHBondContact OE1-NH2 3.27Å; E1083-R1214 IonicContact OE2-CZ 3.93Å; E1083-R1214 IonicContact OE2-NH1 2.83Å; E1083-R1214 IonicContact OE2-NH2 2.69Å; E1083-R1214 PolarHBondContact OE2-NH2 3.38Å; E1083-P1216 HydrophobicContact CG-CB 4.21Å; E1083-P1216 WeakPolarHBondContact OE1-CA 3.4Å; E1083-R1217 HydrophobicContact CG-CB 4.44Å; E1083-R1217 WeakPolarHBondContact OE1-CG 3.22Å; E1083-R1217 PolarHBondContact OE1-N 3.22Å; E1083-R1217 IonicContact OE1-NE 3.85Å; E1083-R1217 IonicContact OE2-NE 3.4Å; E1083-A1220 HydrophobicContact CB-CB 4.07Å; E1083-A1220 HydrophobicContact CG-CB 3.42Å; E1083-A1220 VanDerWaalsContact CG-CB 3.42Å
1084	Y	97.4	Very high	85.2	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.4	-35.9	173.8	-85.1	-107.9	0	0	0	111.3	L790 W883 D1081 A1087 M1088 Y1123 V1125 L1129	L790-Y1084 HydrophobicContact CB-CE1 4.02Å; L790-Y1084 HydrophobicContact CD2-CD1 4.18Å; L790-Y1084 HydrophobicContact CD2-CE1 4.35Å; L790-Y1084 PolarHBondContact O-OH 2.96Å; W883-Y1084 AromaticContact NE1-CE2 3.86Å; W883-Y1084 AromaticContact NE1-CZ 3.84Å; D1081-Y1084 PolarHBondContact O-N 3.49Å; Y1084-A1087 WeakPolarHBondContact O-CB 3.26Å; Y1084-A1087 PolarHBondContact O-N 2.74Å; Y1084-M1088 WeakPolarHBondContact O-CB 3.19Å; Y1084-M1088 VanDerWaalsContact O-CG 3.24Å; Y1084-M1088 WeakPolarHBondContact O-CG 3.45Å; Y1084-M1088 PolarHBondContact O-N 3.03Å; Y1084-Y1123 AromaticContact CE2-CD2 3.92Å; Y1084-Y1123 HydrophobicContact CE2-CD2 3.92Å; Y1084-Y1123 HydrophobicContact CE2-CE2 4.15Å; Y1084-V1125 HydrophobicContact CD2-CG2 3.77Å; Y1084-V1125 HydrophobicContact CE2-CG2 3.8Å; Y1084-V1125 HydrophobicContact CG-CG2 4.24Å; Y1084-L1129 HydrophobicContact CG-CD2 4.22Å
1085	L	97.2	Very high	88.1	Confident	3 Å²	3	12 Å²	12	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-42.6	169.8	-79.2	169.2	0	0	0	112	D1081 M1088 R1089 L1129 W1132 I1207 L1212 F1251	D1081-L1085 VanDerWaalsContact O-CB 3.25Å; D1081-L1085 WeakPolarHBondContact O-CB 3.23Å; D1081-L1085 VanDerWaalsContact O-CG 3.23Å; D1081-L1085 WeakPolarHBondContact O-CG 3.29Å; D1081-L1085 PolarHBondContact O-N 3.01Å; L1085-M1088 PolarHBondContact O-N 3.26Å; L1085-R1089 WeakPolarHBondContact O-CB 3.38Å; L1085-R1089 PolarHBondContact O-N 2.97Å; L1085-L1129 HydrophobicContact CD2-CD1 3.77Å; L1085-L1129 HydrophobicContact CG-CD1 3.81Å; L1085-W1132 HydrophobicContact CD2-CD2 4.22Å; L1085-W1132 HydrophobicContact CD2-CE3 3.82Å; L1085-W1132 HydrophobicContact CD2-CH2 3.81Å; L1085-W1132 HydrophobicContact CD2-CZ2 4.21Å; L1085-W1132 HydrophobicContact CD2-CZ3 3.61Å; L1085-I1207 HydrophobicContact CD1-CD1 4.16Å; L1085-I1207 HydrophobicContact CD1-CG2 4.38Å; L1085-I1207 HydrophobicContact CD2-CD1 3.86Å; L1085-I1207 HydrophobicContact CG-CD1 4.33Å; L1085-L1212 HydrophobicContact CD1-CD2 3.7Å; L1085-F1251 HydrophobicContact CB-CD2 4.35Å; L1085-F1251 HydrophobicContact CD1-CB 4.17Å; L1085-F1251 HydrophobicContact CD1-CG 4.37Å; L1085-F1251 HydrophobicContact CD2-CD2 3.91Å; L1085-F1251 HydrophobicContact CD2-CE2 4.08Å; L1085-F1251 HydrophobicContact CD2-CG 4.4Å
1086	A	97.5	Very high	90.9	Very high	3 Å²	3	7 Å²	7	3%	0.025	4%	0.043	C	C	.	.	H	α-helix	trans	-61.8	-46	173.9	0	0	0	0	0	111	A1082 E1083 M1088 R1089 S1090 P1216 L1224	A1082-A1086 WeakPolarHBondContact O-CB 3.48Å; A1082-A1086 PolarHBondContact O-N 3.26Å; E1083-A1086 PolarHBondContact O-N 3.5Å; A1086-M1088 PolarHBondContact O-N 3.28Å; A1086-R1089 PolarHBondContact O-N 2.96Å; A1086-S1090 WeakPolarHBondContact O-CB 3.2Å; A1086-S1090 PolarHBondContact O-N 2.85Å; A1086-S1090 PolarHBondContact O-OG 2.92Å; A1086-P1216 HydrophobicContact CB-CB 3.8Å; A1086-P1216 HydrophobicContact CB-CG 3.82Å; A1086-L1224 HydrophobicContact CB-CD1 3.74Å
1087	A	97.9	Very high	93.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-58.9	-44.8	176.2	0	0	0	0	0	113.4	L790 I881 W883 E1083 Y1084 I1091 V1092 L1224	L790-A1087 HydrophobicContact CD2-CB 3.62Å; I881-A1087 HydrophobicContact CD1-CB 4Å; I881-A1087 HydrophobicContact CG2-CB 4.5Å; W883-A1087 HydrophobicContact CH2-CB 3.95Å; W883-A1087 HydrophobicContact CZ2-CB 3.93Å; E1083-A1087 PolarHBondContact O-N 3.47Å; Y1084-A1087 WeakPolarHBondContact O-CB 3.26Å; Y1084-A1087 PolarHBondContact O-N 2.74Å; A1087-I1091 WeakPolarHBondContact O-CA 3.31Å; A1087-I1091 WeakPolarHBondContact O-CB 3.43Å; A1087-I1091 PolarHBondContact O-N 3.46Å; A1087-V1092 PolarHBondContact O-N 2.84Å; A1087-V1092 VanDerWaalsContact O-N 3.16Å; A1087-L1224 HydrophobicContact CB-CD2 3.72Å
1088	M	97.7	Very high	95	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.04	C	C	.	.	I	π-helix	trans	-61.5	-46.2	176	-72.6	-63.8	-55	0	0	111.6	Y1084 L1085 A1086 V1092 I1093 W1132 I1133 Q1136	Y1084-M1088 WeakPolarHBondContact O-CB 3.19Å; Y1084-M1088 VanDerWaalsContact O-CG 3.24Å; Y1084-M1088 WeakPolarHBondContact O-CG 3.45Å; Y1084-M1088 PolarHBondContact O-N 3.03Å; L1085-M1088 PolarHBondContact O-N 3.26Å; A1086-M1088 PolarHBondContact O-N 3.28Å; M1088-V1092 HydrophobicContact CE-CB 3.95Å; M1088-V1092 HydrophobicContact CE-CG1 3.89Å; M1088-V1092 PolarHBondContact O-N 2.69Å; M1088-V1092 HydrophobicContact SD-CB 3.61Å; M1088-V1092 HydrophobicContact SD-CG1 3.82Å; M1088-V1092 HydrophobicContact SD-CG2 3.64Å; M1088-I1093 HydrophobicContact CB-CD1 4.48Å; M1088-I1093 HydrophobicContact CE-CD1 4.35Å; M1088-I1093 HydrophobicContact CE-CG1 4Å; M1088-I1093 WeakPolarHBondContact O-CB 3.28Å; M1088-I1093 WeakPolarHBondContact O-CG1 3.38Å; M1088-I1093 PolarHBondContact O-N 3.42Å; M1088-W1132 HydrophobicContact CB-CH2 4.37Å; M1088-W1132 HydrophobicContact CB-CZ3 3.89Å; M1088-W1132 HydrophobicContact CG-CZ3 4.11Å; M1088-I1133 HydrophobicContact CE-CB 4.37Å; M1088-I1133 HydrophobicContact CE-CG1 4.21Å; M1088-I1133 HydrophobicContact CE-CG2 3.7Å; M1088-I1133 HydrophobicContact CG-CD1 3.98Å; M1088-I1133 HydrophobicContact CG-CG1 3.9Å; M1088-I1133 HydrophobicContact SD-CB 4.5Å; M1088-I1133 HydrophobicContact SD-CD1 4.05Å; M1088-I1133 HydrophobicContact SD-CG1 3.96Å; M1088-I1133 HydrophobicContact SD-CG2 3.79Å; M1088-Q1136 HydrophobicContact CE-CB 4.5Å
1089	R	96.3	Very high	96.1	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.008	4%	0.037	C	C	.	.	I	π-helix	trans	-70.6	-36.9	-178.5	-173.2	172.4	62.4	79.6	-3.2	113.2	L1085 A1086 W1178 P1180 N1246 V1247 M1249	L1085-R1089 WeakPolarHBondContact O-CB 3.38Å; L1085-R1089 PolarHBondContact O-N 2.97Å; A1086-R1089 PolarHBondContact O-N 2.96Å; R1089-W1178 HydrophobicContact CB-CH2 4.31Å; R1089-W1178 HydrophobicContact CG-CH2 3.79Å; R1089-W1178 HydrophobicContact CG-CZ2 4.22Å; R1089-P1180 HydrophobicContact CG-CB 3.69Å; R1089-P1180 HydrophobicContact CG-CG 3.85Å; R1089-P1180 WeakPolarHBondContact O-CG 3.42Å; R1089-N1246 VanDerWaalsContact CZ-O 3.28Å; R1089-N1246 PolarHBondContact NH1-O 2.97Å; R1089-N1246 PolarHBondContact NH2-O 2.83Å; R1089-V1247 PolarHBondContact NH2-O 3.24Å; R1089-M1249 PolarHBondContact NH2-O 3.16Å
1090	S	96.8	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-96.6	-18.8	-175	71.5	0	0	0	0	115.1	A1086	A1086-S1090 WeakPolarHBondContact O-CB 3.2Å; A1086-S1090 PolarHBondContact O-N 2.85Å; A1086-S1090 PolarHBondContact O-OG 2.92Å
1091	I	97.4	Very high	96.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-131.1	-61	-175.7	-54.4	-173.4	0	0	0	112.1	L788 I879 I881 A1087 P1094 V1095 L1224 T1227 I1228 F1239	L788-I1091 HydrophobicContact CD1-CG2 4.18Å; I879-I1091 HydrophobicContact CG2-CG2 4.02Å; I881-I1091 HydrophobicContact CD1-CB 3.78Å; I881-I1091 HydrophobicContact CD1-CD1 3.78Å; I881-I1091 HydrophobicContact CD1-CG1 4.25Å; I881-I1091 HydrophobicContact CD1-CG2 3.82Å; I881-I1091 HydrophobicContact CG1-CD1 3.93Å; I881-I1091 HydrophobicContact CG1-CG2 4.29Å; A1087-I1091 WeakPolarHBondContact O-CA 3.31Å; A1087-I1091 WeakPolarHBondContact O-CB 3.43Å; A1087-I1091 PolarHBondContact O-N 3.46Å; I1091-P1094 WeakPolarHBondContact O-CD 3.36Å; I1091-V1095 HydrophobicContact CG2-CG2 4.36Å; I1091-V1095 VanDerWaalsContact O-CB 3.3Å; I1091-V1095 WeakPolarHBondContact O-CB 3.25Å; I1091-V1095 VanDerWaalsContact O-CG2 3.23Å; I1091-V1095 WeakPolarHBondContact O-CG2 3.5Å; I1091-V1095 PolarHBondContact O-N 2.92Å; I1091-L1224 HydrophobicContact CD1-CD2 3.63Å; I1091-L1224 HydrophobicContact CG1-CD2 4.22Å; I1091-T1227 HydrophobicContact CD1-CG2 3.81Å; I1091-I1228 HydrophobicContact CD1-CD1 4.3Å; I1091-I1228 HydrophobicContact CD1-CG1 3.9Å; I1091-I1228 HydrophobicContact CG1-CD1 4.01Å; I1091-I1228 HydrophobicContact CG1-CG1 3.79Å; I1091-F1239 HydrophobicContact CB-CE1 4.43Å; I1091-F1239 HydrophobicContact CG1-CE1 4.33Å; I1091-F1239 HydrophobicContact CG2-CE1 4.23Å; I1091-F1239 HydrophobicContact CG2-CZ 3.83Å
1092	V	97.3	Very high	96.6	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	7%	0.072	C	C	.	.	I	π-helix	trans	-67.2	-48.8	-166.5	-170.2	0	0	0	0	113.3	L766 L788 L790 I881 A1087 M1088 V1095 G1096	L766-V1092 HydrophobicContact CD1-CG1 3.86Å; L766-V1092 HydrophobicContact CD1-CG2 4.43Å; L766-V1092 HydrophobicContact CD2-CG1 4.2Å; L788-V1092 HydrophobicContact CD1-CB 4.32Å; L788-V1092 HydrophobicContact CD1-CG1 4.31Å; L788-V1092 HydrophobicContact CD1-CG2 4.06Å; L788-V1092 HydrophobicContact CD2-CG2 3.85Å; L790-V1092 HydrophobicContact CD1-CG2 4.25Å; L790-V1092 HydrophobicContact CD2-CG2 4.38Å; I881-V1092 HydrophobicContact CD1-CG2 4.31Å; A1087-V1092 PolarHBondContact O-N 2.84Å; A1087-V1092 VanDerWaalsContact O-N 3.16Å; M1088-V1092 HydrophobicContact CE-CB 3.95Å; M1088-V1092 HydrophobicContact CE-CG1 3.89Å; M1088-V1092 PolarHBondContact O-N 2.69Å; M1088-V1092 HydrophobicContact SD-CB 3.61Å; M1088-V1092 HydrophobicContact SD-CG1 3.82Å; M1088-V1092 HydrophobicContact SD-CG2 3.64Å; V1092-V1095 PolarHBondContact O-N 3.48Å; V1092-G1096 PolarHBondContact O-N 3.33Å
1093	I	96.5	Very high	96.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.3	-46.8	179.7	-65.5	170.2	0	0	0	111.1	M1088 V1095 G1096 H1097 W1132 Q1136 I1140 W1178 P1180	M1088-I1093 HydrophobicContact CB-CD1 4.48Å; M1088-I1093 HydrophobicContact CE-CD1 4.35Å; M1088-I1093 HydrophobicContact CE-CG1 4Å; M1088-I1093 WeakPolarHBondContact O-CB 3.28Å; M1088-I1093 WeakPolarHBondContact O-CG1 3.38Å; M1088-I1093 PolarHBondContact O-N 3.42Å; I1093-V1095 PolarHBondContact O-N 2.94Å; I1093-G1096 PolarHBondContact O-N 3.22Å; I1093-H1097 PolarHBondContact O-CD2 3.15Å; I1093-H1097 PolarHBondContact O-N 3.23Å; I1093-W1132 HydrophobicContact CD1-CH2 4.13Å; I1093-Q1136 HydrophobicContact CD1-CB 4.26Å; I1093-Q1136 HydrophobicContact CD1-CG 4.15Å; I1093-I1140 HydrophobicContact CG1-CD1 4.46Å; I1093-W1178 HydrophobicContact CD1-CE3 3.91Å; I1093-W1178 HydrophobicContact CD1-CZ3 3.73Å; I1093-W1178 WeakPolarHBondContact CG2-O 3.4Å; I1093-P1180 HydrophobicContact CG2-CG 4.35Å
1094	P	95.8	Very high	96.8	Very high	9 Å²	9	14.5 Å²	14.5	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-57.7	-44.3	173.2	-24	31.3	0	0	0	114.3	I1091 H1097 E1098 L1182 C1238	I1091-P1094 WeakPolarHBondContact O-CD 3.36Å; P1094-H1097 PolarHBondContact O-N 2.82Å; P1094-E1098 PolarHBondContact O-N 3.19Å; P1094-L1182 HydrophobicContact CG-CD1 3.74Å; P1094-C1238 HydrophobicContact CB-CB 3.69Å
1095	V	96.1	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.9	-45.7	175.5	164.4	0	0	0	0	111	L788 I879 I1091 V1092 I1093 H1097 E1098 F1099 W1236 F1239	L788-V1095 HydrophobicContact CD1-CB 4.33Å; L788-V1095 HydrophobicContact CD1-CG1 4.19Å; I879-V1095 HydrophobicContact CD1-CG1 3.98Å; I879-V1095 HydrophobicContact CD1-CG2 3.7Å; I1091-V1095 HydrophobicContact CG2-CG2 4.36Å; I1091-V1095 VanDerWaalsContact O-CB 3.3Å; I1091-V1095 WeakPolarHBondContact O-CB 3.25Å; I1091-V1095 VanDerWaalsContact O-CG2 3.23Å; I1091-V1095 WeakPolarHBondContact O-CG2 3.5Å; I1091-V1095 PolarHBondContact O-N 2.92Å; V1092-V1095 PolarHBondContact O-N 3.48Å; I1093-V1095 PolarHBondContact O-N 2.94Å; V1095-H1097 VanDerWaalsContact C-N 3.32Å; V1095-H1097 PolarHBondContact O-N 2.9Å; V1095-E1098 PolarHBondContact O-N 2.84Å; V1095-F1099 VanDerWaalsContact O-CB 3.23Å; V1095-F1099 WeakPolarHBondContact O-CB 3.4Å; V1095-F1099 PolarHBondContact O-N 2.74Å; V1095-W1236 HydrophobicContact CB-CZ3 4.36Å; V1095-W1236 HydrophobicContact CG1-CH2 3.76Å; V1095-W1236 HydrophobicContact CG1-CZ2 4.32Å; V1095-W1236 HydrophobicContact CG1-CZ3 3.93Å; V1095-W1236 HydrophobicContact CG2-CE3 4.32Å; V1095-W1236 HydrophobicContact CG2-CZ3 4.39Å; V1095-F1239 HydrophobicContact CG2-CE1 4.33Å; V1095-F1239 HydrophobicContact CG2-CE2 4.07Å; V1095-F1239 HydrophobicContact CG2-CZ 3.46Å; V1095-F1239 VanDerWaalsContact CG2-CZ 3.46Å
1096	G	96.2	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.6	-41.6	177.6	0	0	0	0	0	112.8	V1092 I1093 Q1100 P1101	V1092-G1096 PolarHBondContact O-N 3.33Å; I1093-G1096 PolarHBondContact O-N 3.22Å; G1096-Q1100 WeakPolarHBondContact O-CA 3.39Å; G1096-Q1100 PolarHBondContact O-N 3.05Å; G1096-P1101 WeakPolarHBondContact O-CD 3.27Å
1097	H	94.4	Very high	97.1	Very high	31 Å²	31	14.3 Å²	14.3	14%	0.144	7%	0.069	C	C	.	.	H	α-helix	trans	-77.4	-27.6	178.2	-78	-59.4	0	0	0	114.9	I1093 P1094 V1095 Q1100 W1178 I1179	I1093-H1097 PolarHBondContact O-CD2 3.15Å; I1093-H1097 PolarHBondContact O-N 3.23Å; P1094-H1097 PolarHBondContact O-N 2.82Å; V1095-H1097 VanDerWaalsContact C-N 3.32Å; V1095-H1097 PolarHBondContact O-N 2.9Å; H1097-Q1100 WeakPolarHBondContact O-CG 3.02Å; H1097-W1178 PolarHBondContact NE2-O 3.1Å; H1097-I1179 HydrophobicContact CB-CD1 4.25Å; H1097-I1179 HydrophobicContact CB-CG1 4.31Å
1098	E	94.9	Very high	97.1	Very high	57 Å²	57	14.3 Å²	14.3	27%	0.266	7%	0.069	S	C	.	.	H	α-helix	trans	-77.6	-41.3	171.9	-177.3	165.6	-170	0	0	111.9	P1094 V1095 W1236 K1237 C1238	P1094-E1098 PolarHBondContact O-N 3.19Å; V1095-E1098 PolarHBondContact O-N 2.84Å; E1098-W1236 HydrophobicContact CB-CE3 4.17Å; E1098-W1236 HydrophobicContact CB-CZ3 4.13Å; E1098-W1236 HydrophobicContact CG-CE3 4.06Å; E1098-W1236 HydrophobicContact CG-CZ3 4.21Å; E1098-K1237 VanDerWaalsContact CD-N 3.3Å; E1098-K1237 VanDerWaalsContact OE1-CB 3.26Å; E1098-K1237 WeakPolarHBondContact OE1-CB 3.18Å; E1098-K1237 WeakPolarHBondContact OE1-CG 3.31Å; E1098-K1237 PolarHBondContact OE1-N 2.87Å; E1098-K1237 PolarHBondContact OE2-N 2.83Å; E1098-C1238 WeakPolarHBondContact OE2-CB 3.45Å; E1098-C1238 PolarHBondContact OE2-N 3.04Å; E1098-C1238 PolarHBondContact OE2-SG 3.33Å
1099	F	95.4	Very high	97.1	Very high	19 Å²	19	14.3 Å²	14.3	8%	0.083	7%	0.069	C	C	.	.	H	α-helix	trans	-73.4	-36.2	178.8	-174.9	-122.9	0	0	0	112.7	K762 V763 L764 V786 V1095 P1101 W1236	K762-F1099 HydrophobicContact CB-CE1 3.91Å; K762-F1099 HydrophobicContact CB-CE2 4.35Å; K762-F1099 HydrophobicContact CB-CZ 3.68Å; K762-F1099 HydrophobicContact CD-CD2 4.36Å; K762-F1099 HydrophobicContact CD-CE2 4Å; K762-F1099 HydrophobicContact CD-CZ 4.19Å; K762-F1099 WeakPolarHBondContact CD-O 3.08Å; K762-F1099 HydrophobicContact CG-CE2 4.12Å; K762-F1099 HydrophobicContact CG-CZ 3.92Å; K762-F1099 PolarHBondContact NZ-O 2.89Å; V763-F1099 WeakPolarHBondContact O-CE1 3.17Å; L764-F1099 HydrophobicContact CB-CD1 4.18Å; L764-F1099 HydrophobicContact CB-CE1 4.16Å; V786-F1099 HydrophobicContact CB-CD1 4.41Å; V786-F1099 HydrophobicContact CB-CE1 4.15Å; V786-F1099 HydrophobicContact CB-CE2 4.45Å; V786-F1099 HydrophobicContact CB-CZ 4.17Å; V786-F1099 HydrophobicContact CG2-CD1 4.25Å; V786-F1099 HydrophobicContact CG2-CD2 3.72Å; V786-F1099 HydrophobicContact CG2-CE1 4.02Å; V786-F1099 HydrophobicContact CG2-CE2 3.46Å; V786-F1099 VanDerWaalsContact CG2-CE2 3.46Å; V786-F1099 HydrophobicContact CG2-CG 4.12Å; V786-F1099 HydrophobicContact CG2-CZ 3.62Å; V1095-F1099 VanDerWaalsContact O-CB 3.23Å; V1095-F1099 WeakPolarHBondContact O-CB 3.4Å; V1095-F1099 PolarHBondContact O-N 2.74Å; F1099-P1101 HydrophobicContact CD1-CB 3.86Å; F1099-P1101 HydrophobicContact CD1-CG 4.34Å; F1099-P1101 HydrophobicContact CE1-CB 4Å; F1099-W1236 HydrophobicContact CB-CH2 3.94Å; F1099-W1236 HydrophobicContact CB-CZ3 4.05Å; F1099-W1236 HydrophobicContact CD2-CH2 4.43Å; F1099-W1236 HydrophobicContact CG-CH2 4.44Å
1100	Q	96.2	Very high	97.2	Very high	129 Å²	129	14.2 Å²	14.2	60%	0.603	7%	0.069	S	C	*	.			trans	52.4	65.5	-175.9	-54.3	177.5	-10.2	0	0	111.9	K762 G1096 H1097	K762-Q1100 WeakPolarHBondContact CE-O 2.92Å; K762-Q1100 PolarHBondContact NZ-O 3.01Å; G1096-Q1100 WeakPolarHBondContact O-CA 3.39Å; G1096-Q1100 PolarHBondContact O-N 3.05Å; H1097-Q1100 WeakPolarHBondContact O-CG 3.02Å
1101	P	97.6	Very high	97.2	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.032	7%	0.069	C	C	.	.			trans	-62.2	142.4	-178.3	26.3	-33.4	0	0	0	111.5	L764 G1096 F1099 I1104 I1140	L764-P1101 HydrophobicContact CB-CB 3.72Å; L764-P1101 HydrophobicContact CB-CG 4Å; L764-P1101 HydrophobicContact CD2-CG 4.27Å; G1096-P1101 WeakPolarHBondContact O-CD 3.27Å; F1099-P1101 HydrophobicContact CD1-CB 3.86Å; F1099-P1101 HydrophobicContact CD1-CG 4.34Å; F1099-P1101 HydrophobicContact CE1-CB 4Å; P1101-I1104 HydrophobicContact CB-CG1 4.2Å; P1101-I1104 HydrophobicContact CG-CD1 4.12Å; P1101-I1104 HydrophobicContact CG-CG1 3.68Å; P1101-I1140 HydrophobicContact CG-CG2 3.94Å
1102	D	97.9	Very high	97.2	Very high	42 Å²	42	14.2 Å²	14.2	23%	0.225	7%	0.069	C	C	.	.	S	Bend	trans	-66.4	-46.6	169.6	-68.7	-53.9	0	0	0	109.6	V760 S761 K762 R1144	V760-D1102 HydrophobicContact CB-CB 3.71Å; V760-D1102 HydrophobicContact CG1-CB 3.8Å; S761-D1102 WeakPolarHBondContact CA-OD2 3.13Å; S761-D1102 PolarHBondContact N-OD2 3.27Å; K762-D1102 PolarHBondContact N-OD2 2.81Å; K762-D1102 WeakPolarHBondContact O-CB 3.19Å; K762-D1102 PolarHBondContact O-N 3.16Å; D1102-R1144 PolarHBondContact O-NE 2.76Å; D1102-R1144 PolarHBondContact O-NH2 2.82Å
1103	I	98.5	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.4	178.4	-174.5	167.2	0	0	0	109.6	V714 A715 L754 V760 V763 L764 L1105 R1144	V714-I1103 HydrophobicContact CB-CD1 4.41Å; V714-I1103 HydrophobicContact CG1-CD1 4.09Å; A715-I1103 HydrophobicContact CB-CD1 4.06Å; L754-I1103 HydrophobicContact CD1-CD1 4.14Å; L754-I1103 HydrophobicContact CD1-CG2 4.13Å; V760-I1103 HydrophobicContact CG1-CG2 4.08Å; V760-I1103 HydrophobicContact CG2-CG2 4.09Å; V763-I1103 HydrophobicContact CB-CG2 4.47Å; V763-I1103 HydrophobicContact CG1-CG2 4.4Å; V763-I1103 HydrophobicContact CG2-CG2 3.83Å; L764-I1103 PolarHBondContact N-O 3.29Å; L764-I1103 VanDerWaalsContact N-O 3.16Å; I1103-L1105 HydrophobicContact CD1-CD2 3.91Å; I1103-L1105 HydrophobicContact CG1-CD2 4.05Å; I1103-R1144 WeakPolarHBondContact CA-O 3.33Å; I1103-R1144 HydrophobicContact CB-CB 4.28Å; I1103-R1144 HydrophobicContact CG1-CB 4.2Å; I1103-R1144 WeakPolarHBondContact CG1-O 3.44Å
1104	I	98.7	Very high	96.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.5	168.3	-57.5	163.6	0	0	0	107.7	L764 L766 P1101 I1106 C1137 I1140 R1144 I1145 V1146	L764-I1104 HydrophobicContact CB-CG1 4.25Å; L764-I1104 HydrophobicContact CD2-CG1 4.26Å; L764-I1104 CarbonylContact O-C 3.47Å; L764-I1104 VanDerWaalsContact O-CA 3.28Å; L764-I1104 WeakPolarHBondContact O-CA 3.4Å; L766-I1104 HydrophobicContact CB-CG2 4.36Å; P1101-I1104 HydrophobicContact CB-CG1 4.2Å; P1101-I1104 HydrophobicContact CG-CD1 4.12Å; P1101-I1104 HydrophobicContact CG-CG1 3.68Å; I1104-I1106 HydrophobicContact CG2-CG1 3.95Å; I1104-C1137 HydrophobicContact CD1-CB 3.99Å; I1104-I1140 HydrophobicContact CD1-CB 4.09Å; I1104-I1140 HydrophobicContact CD1-CG2 4.07Å; I1104-R1144 PolarHBondContact N-O 2.96Å; I1104-I1145 HydrophobicContact CB-CG2 3.99Å; I1104-I1145 HydrophobicContact CD1-CG2 4.29Å; I1104-I1145 VanDerWaalsContact O-CA 3.25Å; I1104-I1145 WeakPolarHBondContact O-CA 3.47Å; I1104-V1146 PolarHBondContact O-N 2.89Å; I1104-V1146 VanDerWaalsContact O-N 3.09Å
1105	L	98.8	Very high	96.3	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.3	164.9	-52.7	-177.7	0	0	0	107.6	A711 V747 A750 A751 V763 L764 I765 L766 I1103 V1146	A711-L1105 HydrophobicContact CB-CD2 3.93Å; V747-L1105 HydrophobicContact CG1-CB 3.82Å; V747-L1105 HydrophobicContact CG1-CD1 4.16Å; A750-L1105 HydrophobicContact CB-CD1 4.14Å; A751-L1105 HydrophobicContact CB-CD1 3.95Å; V763-L1105 HydrophobicContact CG1-CD1 4.22Å; V763-L1105 HydrophobicContact CG1-CG 4.13Å; L764-L1105 PolarHBondContact O-N 2.87Å; I765-L1105 CarbonylContact C-O 3.55Å; I765-L1105 VanDerWaalsContact CA-O 3.31Å; I765-L1105 WeakPolarHBondContact CA-O 3.43Å; I765-L1105 HydrophobicContact CG1-CB 4.4Å; L766-L1105 PolarHBondContact N-O 3.47Å; I1103-L1105 HydrophobicContact CD1-CD2 3.91Å; I1103-L1105 HydrophobicContact CG1-CD2 4.05Å; L1105-V1146 CarbonylContact C-O 3.58Å; L1105-V1146 WeakPolarHBondContact CA-O 3.1Å; L1105-V1146 HydrophobicContact CD2-CB 3.97Å
1106	I	98.8	Very high	96	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.3	179.5	-51.8	-174.8	0	0	0	108.6	L766 W768 I1104 A1108 C1137 V1146 L1147 A1148	L766-I1106 HydrophobicContact CB-CG1 4.39Å; L766-I1106 HydrophobicContact CD2-CD1 4.49Å; L766-I1106 CarbonylContact O-C 3.36Å; L766-I1106 VanDerWaalsContact O-CA 3.23Å; L766-I1106 WeakPolarHBondContact O-CA 3.32Å; W768-I1106 HydrophobicContact CD2-CG2 3.74Å; W768-I1106 HydrophobicContact CE3-CG2 3.63Å; W768-I1106 HydrophobicContact CG-CG2 4.45Å; W768-I1106 HydrophobicContact CH2-CD1 4.27Å; W768-I1106 HydrophobicContact CH2-CG2 3.97Å; W768-I1106 HydrophobicContact CZ2-CG2 4.06Å; W768-I1106 HydrophobicContact CZ3-CD1 3.89Å; W768-I1106 HydrophobicContact CZ3-CG2 3.76Å; I1104-I1106 HydrophobicContact CG2-CG1 3.95Å; I1106-A1108 HydrophobicContact CG2-CB 4.14Å; I1106-A1108 PolarHBondContact O-N 2.71Å; I1106-C1137 HydrophobicContact CD1-CB 4.33Å; I1106-V1146 PolarHBondContact N-O 2.81Å; I1106-L1147 HydrophobicContact CB-CG 4.06Å; I1106-L1147 HydrophobicContact CD1-CD1 3.99Å; I1106-L1147 HydrophobicContact CD1-CG 4.12Å; I1106-L1147 HydrophobicContact CG1-CD1 4.47Å; I1106-L1147 HydrophobicContact CG1-CG 4.44Å; I1106-A1148 PolarHBondContact O-N 3.08Å
1107	S	98.8	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	100.7	163.4	-85.4	0	0	0	0	106.4	V747 L766 D767 W768 E1150	V747-S1107 WeakPolarHBondContact CG2-OG 3.31Å; L766-S1107 PolarHBondContact O-N 3.37Å; D767-S1107 WeakPolarHBondContact OD1-CB 3.43Å; W768-S1107 PolarHBondContact N-O 3.45Å; S1107-E1150 WeakPolarHBondContact CB-OE1 3.35Å; S1107-E1150 PolarHBondContact OG-OE1 2.86Å
1108	A	98.6	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	70.1	-161.9	0	0	0	0	0	111.2	W768 I1106 L1147 A1148 E1150	W768-A1108 HydrophobicContact CZ2-CB 3.94Å; I1106-A1108 HydrophobicContact CG2-CB 4.14Å; I1106-A1108 PolarHBondContact O-N 2.71Å; A1108-L1147 HydrophobicContact CB-CB 4.19Å; A1108-A1148 WeakPolarHBondContact CA-O 3.38Å; A1108-A1148 WeakPolarHBondContact CB-O 3.37Å; A1108-A1148 PolarHBondContact N-O 2.86Å; A1108-E1150 PolarHBondContact O-N 2.87Å
1109	G	98.2	Very high	94.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.			trans	-70.7	155.9	164.8	0	0	0	0	0	112.1	W768 D769	W768-G1109 PolarHBondContact NE1-O 2.86Å; D769-G1109 VanDerWaalsContact OD2-CA 3.22Å; D769-G1109 WeakPolarHBondContact OD2-CA 3.45Å
1110	Y	98.3	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.2	C	C	.	.			trans	-131	17.8	178.7	-63.2	-61.3	0	0	0	113.7	F723 W768 A1113 H1116 F1130 L1149 G1151 V1158 C1161 I1162 C1165	F723-Y1110 WeakPolarHBondContact CE2-OH 3.25Å; F723-Y1110 HydrophobicContact CZ-CE2 4.1Å; F723-Y1110 WeakPolarHBondContact CZ-OH 3.29Å; W768-Y1110 AromaticContact CZ2-CE1 3.81Å; W768-Y1110 HydrophobicContact CZ2-CE1 3.81Å; W768-Y1110 AromaticContact NE1-CE1 3.72Å; Y1110-A1113 WeakPolarHBondContact O-CB 3.46Å; Y1110-A1113 PolarHBondContact O-N 3.49Å; Y1110-A1113 VanDerWaalsContact O-N 3.13Å; Y1110-H1116 PolarHBondContact O-CE1 2.88Å; Y1110-H1116 PolarHBondContact O-ND1 3.1Å; Y1110-F1130 AromaticContact CD1-CD1 3.99Å; Y1110-F1130 HydrophobicContact CD1-CD1 3.99Å; Y1110-F1130 HydrophobicContact CD1-CD2 4.04Å; Y1110-F1130 HydrophobicContact CD1-CE1 4.01Å; Y1110-F1130 HydrophobicContact CD1-CE2 4.09Å; Y1110-F1130 AromaticContact CD1-CG 3.98Å; Y1110-F1130 HydrophobicContact CD1-CG 3.98Å; Y1110-F1130 HydrophobicContact CD1-CZ 4.06Å; Y1110-F1130 HydrophobicContact CE1-CB 4.07Å; Y1110-F1130 AromaticContact CE1-CD1 3.89Å; Y1110-F1130 HydrophobicContact CE1-CD1 3.89Å; Y1110-F1130 HydrophobicContact CE1-CD2 4.27Å; Y1110-F1130 HydrophobicContact CE1-CE1 4.35Å; Y1110-F1130 AromaticContact CE1-CG 3.83Å; Y1110-F1130 HydrophobicContact CE1-CG 3.83Å; Y1110-L1149 HydrophobicContact CD2-CD1 3.85Å; Y1110-L1149 HydrophobicContact CE2-CD1 4.05Å; Y1110-G1151 PolarHBondContact N-O 2.91Å; Y1110-V1158 HydrophobicContact CD2-CG1 4.5Å; Y1110-C1161 HydrophobicContact CD1-CB 3.34Å; Y1110-C1161 HydrophobicContact CD2-CB 4.01Å; Y1110-C1161 HydrophobicContact CE1-CB 3.54Å; Y1110-C1161 HydrophobicContact CE2-CB 4.18Å; Y1110-C1161 HydrophobicContact CG-CB 3.58Å; Y1110-I1162 HydrophobicContact CD2-CG1 4.22Å; Y1110-I1162 HydrophobicContact CE2-CD1 4.32Å; Y1110-I1162 HydrophobicContact CE2-CG1 3.53Å; Y1110-C1165 PolarHBondContact OH-SG 3.12Å
1111	D	96.9	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.1	176.1	27.4	35.4	0	0	0	114	I770 H771 A1113 H1116 L1120 G1151 G1152 Y1153	I770-D1111 HydrophobicContact CG2-CB 3.72Å; I770-D1111 WeakPolarHBondContact CG2-OD1 3.22Å; I770-D1111 PolarHBondContact N-OD1 3.24Å; H771-D1111 IonicContact CE1-OD2 3.08Å; H771-D1111 PolarHBondContact CE1-OD2 3.41Å; H771-D1111 VanDerWaalsContact CE1-OD2 3.3Å; H771-D1111 IonicContact ND1-OD2 3.94Å; H771-D1111 PolarHBondContact ND1-OD2 2.77Å; D1111-A1113 PolarHBondContact O-N 2.89Å; D1111-H1116 WeakPolarHBondContact O-CB 3.43Å; D1111-H1116 PolarHBondContact O-ND1 3.44Å; D1111-L1120 WeakPolarHBondContact CB-O 3.27Å; D1111-G1151 WeakPolarHBondContact OD2-CA 3.32Å; D1111-G1152 VanDerWaalsContact CG-N 3.27Å; D1111-G1152 VanDerWaalsContact N-CA 3.29Å; D1111-G1152 PolarHBondContact OD2-N 2.92Å; D1111-Y1153 HydrophobicContact CB-CD2 4.24Å; D1111-Y1153 HydrophobicContact CB-CE2 4.06Å; D1111-Y1153 WeakPolarHBondContact OD2-CE2 3.33Å
1112	A	96.5	Very high	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.6	164	0	0	0	0	0	113.1	I770 Y1123 S1124 V1125 F1130	I770-A1112 HydrophobicContact CB-CB 4.08Å; I770-A1112 HydrophobicContact CD1-CB 4.1Å; I770-A1112 HydrophobicContact CG1-CB 4.46Å; A1112-Y1123 CarbonylContact O-C 3.6Å; A1112-Y1123 VanDerWaalsContact O-CB 3.3Å; A1112-Y1123 WeakPolarHBondContact O-CB 3.4Å; A1112-S1124 PolarHBondContact O-N 3.07Å; A1112-V1125 HydrophobicContact CB-CG2 4.14Å; A1112-V1125 WeakPolarHBondContact O-CB 3.27Å; A1112-V1125 WeakPolarHBondContact O-CG2 3.45Å; A1112-V1125 PolarHBondContact O-N 3.14Å; A1112-F1130 HydrophobicContact CB-CZ 4.34Å
1113	A	95.9	Very high	93	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-76.9	153.7	-178	0	0	0	0	0	112.9	Y1110 D1111 G1115 H1116 V1125 F1130 T1157	Y1110-A1113 WeakPolarHBondContact O-CB 3.46Å; Y1110-A1113 PolarHBondContact O-N 3.49Å; Y1110-A1113 VanDerWaalsContact O-N 3.13Å; D1111-A1113 PolarHBondContact O-N 2.89Å; A1113-G1115 PolarHBondContact O-N 2.99Å; A1113-H1116 PolarHBondContact O-ND1 2.85Å; A1113-V1125 VanDerWaalsContact CA-O 3.23Å; A1113-V1125 WeakPolarHBondContact CA-O 3.42Å; A1113-F1130 HydrophobicContact CB-CE2 3.85Å; A1113-F1130 HydrophobicContact CB-CZ 4.45Å; A1113-T1157 HydrophobicContact CB-CG2 3.48Å; A1113-T1157 VanDerWaalsContact CB-CG2 3.48Å
1114	Y	89.1	Confident	92.8	Very high	162 Å²	162	29.3 Å²	29.3	64%	0.635	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.3	177.8	176.9	-93.4	0	0	0	113	V1125 T1157	Y1114-V1125 PolarHBondContact N-O 3.33Å; Y1114-T1157 WeakPolarHBondContact O-CG2 3.48Å; Y1114-T1157 PolarHBondContact O-OG1 3.42Å; Y1114-T1157 VanDerWaalsContact O-OG1 3.09Å
1115	G	86.5	Confident	92.7	Very high	50 Å²	50	29.3 Å²	29.3	52%	0.515	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.7	-12.4	-180	0	0	0	0	0	114.4	A1113	A1113-G1115 PolarHBondContact O-N 2.99Å
1116	H	90.7	Very high	92.5	Very high	13 Å²	13	30.6 Å²	30.6	6%	0.06	20%	0.195	C	C	.	.			trans	-90.8	124.1	176.9	-57.6	92.9	0	0	0	111.4	Y1110 D1111 A1113 G1122 Y1153 S1154	Y1110-H1116 PolarHBondContact O-CE1 2.88Å; Y1110-H1116 PolarHBondContact O-ND1 3.1Å; D1111-H1116 WeakPolarHBondContact O-CB 3.43Å; D1111-H1116 PolarHBondContact O-ND1 3.44Å; A1113-H1116 PolarHBondContact O-ND1 2.85Å; H1116-G1122 WeakPolarHBondContact O-CA 3.36Å; H1116-G1122 PolarHBondContact O-N 3.25Å; H1116-Y1153 PolarHBondContact CD2-N 3.42Å; H1116-Y1153 PolarHBondContact NE2-N 3.32Å; H1116-S1154 PolarHBondContact NE2-N 2.79Å
1117	G	83.4	Confident	92.4	Very high	49 Å²	49	31.6 Å²	31.6	51%	0.505	20%	0.204	S	C	.	.			trans	-66.3	163.7	-179	0	0	0	0	0	113.8	A1119 L1120 G1121 G1122	G1117-A1119 PolarHBondContact O-N 2.92Å; G1117-L1120 PolarHBondContact O-N 3.24Å; G1117-G1121 PolarHBondContact O-N 2.73Å; G1117-G1122 PolarHBondContact O-N 2.81Å
1118	E	85	Confident	92.3	Very high	113 Å²	113	32 Å²	32	53%	0.528	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-22.9	-172.1	-63.3	-170.6	142.9	0	0	115.4	R792	R792-E1118 PolarHBondContact NH1-O 3.03Å
1119	A	84.7	Confident	92.3	Very high	92 Å²	92	32 Å²	32	76%	0.76	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-23.1	179.5	0	0	0	0	0	114.8	G1117	G1117-A1119 PolarHBondContact O-N 2.92Å
1120	L	87.3	Confident	92.3	Very high	57 Å²	57	32 Å²	32	30%	0.298	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-0.3	176.7	-68.5	175.5	0	0	0	112.4	P523 H771 D1111 G1117 Y1153	P523-L1120 HydrophobicContact CB-CD1 4.12Å; P523-L1120 HydrophobicContact CG-CD1 4.05Å; H771-L1120 PolarHBondContact CE1-O 3.32Å; D1111-L1120 WeakPolarHBondContact CB-O 3.27Å; G1117-L1120 PolarHBondContact O-N 3.24Å; L1120-Y1153 HydrophobicContact CB-CD2 4.21Å; L1120-Y1153 HydrophobicContact CD1-CD2 4.08Å; L1120-Y1153 HydrophobicContact CD1-CG 4.39Å; L1120-Y1153 HydrophobicContact CD2-CD2 4.27Å; L1120-Y1153 HydrophobicContact CD2-CE2 4.36Å; L1120-Y1153 HydrophobicContact CG-CD2 4.43Å
1121	G	88.7	Confident	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.208	C	C	.	.			trans	170.1	-75.3	178.9	0	0	0	0	0	112.3	R792 G1117	R792-G1121 PolarHBondContact NH1-O 3.12Å; G1117-G1121 PolarHBondContact O-N 2.73Å
1122	G	86.7	Confident	92.2	Very high	18 Å²	18	32 Å²	32	19%	0.186	21%	0.208	C	C	.	.			trans	81.1	10.1	-179.6	0	0	0	0	0	115.3	G1078 H1116 G1117	G1078-G1122 WeakPolarHBondContact CA-O 3.47Å; H1116-G1122 WeakPolarHBondContact O-CA 3.36Å; H1116-G1122 PolarHBondContact O-N 3.25Å; G1117-G1122 PolarHBondContact O-N 2.81Å
1123	Y	93.7	Very high	92.3	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.012	21%	0.209	C	C	.	.			trans	-93.1	-180	173.9	-74	9.2	0	0	0	110.8	I770 R792 W883 L1079 Y1084 A1112	I770-Y1123 HydrophobicContact CD1-CD1 3.84Å; I770-Y1123 HydrophobicContact CD1-CD2 3.35Å; I770-Y1123 HydrophobicContact CD1-CE1 4.29Å; I770-Y1123 HydrophobicContact CD1-CE2 3.83Å; I770-Y1123 HydrophobicContact CD1-CG 3.36Å; I770-Y1123 HydrophobicContact CG1-CD2 4.18Å; I770-Y1123 HydrophobicContact CG1-CE2 4.27Å; R792-Y1123 HydrophobicContact CB-CE1 4.42Å; R792-Y1123 HydrophobicContact CB-CE2 4.36Å; R792-Y1123 HydrophobicContact CG-CE1 4.23Å; W883-Y1123 WeakPolarHBondContact CB-OH 3.47Å; W883-Y1123 AromaticContact CD1-CE2 3.85Å; W883-Y1123 HydrophobicContact CG-CE2 4.46Å; L1079-Y1123 HydrophobicContact CB-CD1 4.21Å; L1079-Y1123 HydrophobicContact CB-CD2 3.8Å; L1079-Y1123 HydrophobicContact CB-CE1 4.22Å; L1079-Y1123 HydrophobicContact CB-CE2 3.83Å; L1079-Y1123 HydrophobicContact CB-CG 4Å; L1079-Y1123 HydrophobicContact CD1-CE2 3.75Å; L1079-Y1123 HydrophobicContact CG-CD2 4.4Å; L1079-Y1123 HydrophobicContact CG-CE1 4.03Å; L1079-Y1123 HydrophobicContact CG-CE2 3.94Å; L1079-Y1123 VanDerWaalsContact N-CD1 3.32Å; L1079-Y1123 WeakPolarHBondContact O-CB 3.3Å; Y1084-Y1123 AromaticContact CE2-CD2 3.92Å; Y1084-Y1123 HydrophobicContact CE2-CD2 3.92Å; Y1084-Y1123 HydrophobicContact CE2-CE2 4.15Å; A1112-Y1123 CarbonylContact O-C 3.6Å; A1112-Y1123 VanDerWaalsContact O-CB 3.3Å; A1112-Y1123 WeakPolarHBondContact O-CB 3.4Å
1124	S	93.2	Very high	92.4	Very high	53 Å²	53	32.2 Å²	32.2	37%	0.371	21%	0.208	S	C	.	.			trans	-145.3	45.9	-174.1	-65.9	0	0	0	0	111.1	L1079 S1080 A1112	L1079-S1124 PolarHBondContact O-N 2.89Å; S1080-S1124 VanDerWaalsContact CB-O 3.3Å; S1080-S1124 WeakPolarHBondContact CB-O 3.49Å; A1112-S1124 PolarHBondContact O-N 3.07Å
1125	V	95.9	Very high	92.6	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-69.4	144	171.3	-179.4	0	0	0	0	110	D1081 Y1084 A1112 A1113 Y1114 L1129 F1130	D1081-V1125 VanDerWaalsContact OD1-CA 3.31Å; D1081-V1125 WeakPolarHBondContact OD1-CA 3.45Å; Y1084-V1125 HydrophobicContact CD2-CG2 3.77Å; Y1084-V1125 HydrophobicContact CE2-CG2 3.8Å; Y1084-V1125 HydrophobicContact CG-CG2 4.24Å; A1112-V1125 HydrophobicContact CB-CG2 4.14Å; A1112-V1125 WeakPolarHBondContact O-CB 3.27Å; A1112-V1125 WeakPolarHBondContact O-CG2 3.45Å; A1112-V1125 PolarHBondContact O-N 3.14Å; A1113-V1125 VanDerWaalsContact CA-O 3.23Å; A1113-V1125 WeakPolarHBondContact CA-O 3.42Å; Y1114-V1125 PolarHBondContact N-O 3.33Å; V1125-L1129 HydrophobicContact CG1-CB 4Å; V1125-L1129 HydrophobicContact CG1-CD2 3.64Å; V1125-L1129 HydrophobicContact CG1-CG 4.29Å; V1125-F1130 HydrophobicContact CB-CE2 4.01Å; V1125-F1130 HydrophobicContact CB-CZ 4.17Å; V1125-F1130 HydrophobicContact CG1-CD2 4.03Å; V1125-F1130 HydrophobicContact CG1-CE1 4.47Å; V1125-F1130 HydrophobicContact CG1-CE2 3.45Å; V1125-F1130 VanDerWaalsContact CG1-CE2 3.45Å; V1125-F1130 HydrophobicContact CG1-CZ 3.73Å
1126	S	96.3	Very high	93	Very high	29 Å²	29	22.4 Å²	22.4	20%	0.203	16%	0.155	C	C	.	.			trans	-88.1	150.3	176.9	76.7	0	0	0	0	112.9	D1081 G1128 L1129 F1130	D1081-S1126 PolarHBondContact OD1-N 3.36Å; D1081-S1126 VanDerWaalsContact OD2-CB 3.23Å; D1081-S1126 WeakPolarHBondContact OD2-CB 3.47Å; D1081-S1126 PolarHBondContact OD2-OG 3.2Å; S1126-G1128 PolarHBondContact O-N 2.78Å; S1126-L1129 PolarHBondContact O-N 2.72Å; S1126-L1129 VanDerWaalsContact O-N 3.08Å; S1126-L1129 PolarHBondContact OG-N 2.99Å; S1126-L1129 VanDerWaalsContact OG-N 3.12Å; S1126-F1130 VanDerWaalsContact O-CD2 3.23Å; S1126-F1130 WeakPolarHBondContact O-CD2 3.35Å
1127	A	96.9	Very high	93.3	Very high	22 Å²	22	21.9 Å²	21.9	18%	0.182	15%	0.153	C	C	.	.	H	α-helix	trans	-55.3	-31.8	170	0	0	0	0	0	112.6	F1130 A1131 D1160 C1161 S1164	A1127-F1130 PolarHBondContact O-N 3.37Å; A1127-A1131 PolarHBondContact O-N 2.99Å; A1127-D1160 HydrophobicContact CB-CB 4.06Å; A1127-C1161 HydrophobicContact CB-CB 4.48Å; A1127-S1164 WeakPolarHBondContact O-CB 3.27Å
1128	G	96.2	Very high	93.8	Very high	8 Å²	8	19.6 Å²	19.6	8%	0.082	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-36.7	175.7	0	0	0	0	0	113.7	S1126 A1131 W1132 W1206	S1126-G1128 PolarHBondContact O-N 2.78Å; G1128-A1131 WeakPolarHBondContact O-CB 3.5Å; G1128-A1131 PolarHBondContact O-N 3.46Å; G1128-W1132 PolarHBondContact O-N 3.25Å; G1128-W1206 WeakPolarHBondContact CA-O 3.45Å; G1128-W1206 WeakPolarHBondContact O-CB 3.4Å
1129	L	97.8	Very high	94.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-44	175.5	-178.4	63.4	0	0	0	111.7	D1081 Y1084 L1085 V1125 S1126 A1131 W1132 I1133 I1207	D1081-L1129 HydrophobicContact CB-CB 4.38Å; D1081-L1129 HydrophobicContact CB-CD2 3.89Å; Y1084-L1129 HydrophobicContact CG-CD2 4.22Å; L1085-L1129 HydrophobicContact CD2-CD1 3.77Å; L1085-L1129 HydrophobicContact CG-CD1 3.81Å; V1125-L1129 HydrophobicContact CG1-CB 4Å; V1125-L1129 HydrophobicContact CG1-CD2 3.64Å; V1125-L1129 HydrophobicContact CG1-CG 4.29Å; S1126-L1129 PolarHBondContact O-N 2.72Å; S1126-L1129 VanDerWaalsContact O-N 3.08Å; S1126-L1129 PolarHBondContact OG-N 2.99Å; S1126-L1129 VanDerWaalsContact OG-N 3.12Å; L1129-A1131 PolarHBondContact O-N 3.19Å; L1129-W1132 HydrophobicContact CD1-CE3 4.01Å; L1129-W1132 PolarHBondContact O-N 3.05Å; L1129-W1132 VanDerWaalsContact O-N 3.1Å; L1129-I1133 HydrophobicContact CD1-CD1 4.33Å; L1129-I1133 HydrophobicContact CD1-CG1 4.22Å; L1129-I1133 HydrophobicContact CD2-CD1 4.42Å; L1129-I1133 HydrophobicContact CG-CD1 3.95Å; L1129-I1133 HydrophobicContact CG-CG1 4.27Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.46Å; L1129-I1133 PolarHBondContact O-N 3.21Å; L1129-I1207 HydrophobicContact CB-CG1 4.43Å; L1129-I1207 HydrophobicContact CD1-CD1 3.59Å; L1129-I1207 HydrophobicContact CD1-CG1 4.36Å
1130	F	98.4	Very high	94.6	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-59.6	-37.1	175.9	-64.5	-76.3	0	0	0	111.9	W768 Y1110 A1112 A1113 V1125 S1126 A1127 T1134	W768-F1130 AromaticContact CD1-CD1 3.94Å; W768-F1130 AromaticContact CD1-CE1 3.6Å; W768-F1130 AromaticContact CD2-CD1 3.8Å; W768-F1130 HydrophobicContact CD2-CD1 3.8Å; W768-F1130 HydrophobicContact CD2-CE1 4.15Å; W768-F1130 AromaticContact CE2-CD1 3.45Å; W768-F1130 VanDerWaalsContact CE2-CD1 3.45Å; W768-F1130 AromaticContact CE2-CE1 3.95Å; W768-F1130 HydrophobicContact CE3-CD1 4.38Å; W768-F1130 HydrophobicContact CG-CD1 4.12Å; W768-F1130 AromaticContact CG-CE1 3.96Å; W768-F1130 HydrophobicContact CG-CE1 3.96Å; W768-F1130 HydrophobicContact CH2-CB 4.39Å; W768-F1130 HydrophobicContact CH2-CD1 4.37Å; W768-F1130 HydrophobicContact CZ2-CB 4.23Å; W768-F1130 AromaticContact CZ2-CD1 3.79Å; W768-F1130 HydrophobicContact CZ2-CD1 3.79Å; W768-F1130 HydrophobicContact CZ2-CG 4.44Å; W768-F1130 AromaticContact NE1-CD1 3.51Å; W768-F1130 AromaticContact NE1-CE1 3.57Å; Y1110-F1130 AromaticContact CD1-CD1 3.99Å; Y1110-F1130 HydrophobicContact CD1-CD1 3.99Å; Y1110-F1130 HydrophobicContact CD1-CD2 4.04Å; Y1110-F1130 HydrophobicContact CD1-CE1 4.01Å; Y1110-F1130 HydrophobicContact CD1-CE2 4.09Å; Y1110-F1130 AromaticContact CD1-CG 3.98Å; Y1110-F1130 HydrophobicContact CD1-CG 3.98Å; Y1110-F1130 HydrophobicContact CD1-CZ 4.06Å; Y1110-F1130 HydrophobicContact CE1-CB 4.07Å; Y1110-F1130 AromaticContact CE1-CD1 3.89Å; Y1110-F1130 HydrophobicContact CE1-CD1 3.89Å; Y1110-F1130 HydrophobicContact CE1-CD2 4.27Å; Y1110-F1130 HydrophobicContact CE1-CE1 4.35Å; Y1110-F1130 AromaticContact CE1-CG 3.83Å; Y1110-F1130 HydrophobicContact CE1-CG 3.83Å; A1112-F1130 HydrophobicContact CB-CZ 4.34Å; A1113-F1130 HydrophobicContact CB-CE2 3.85Å; A1113-F1130 HydrophobicContact CB-CZ 4.45Å; V1125-F1130 HydrophobicContact CB-CE2 4.01Å; V1125-F1130 HydrophobicContact CB-CZ 4.17Å; V1125-F1130 HydrophobicContact CG1-CD2 4.03Å; V1125-F1130 HydrophobicContact CG1-CE1 4.47Å; V1125-F1130 HydrophobicContact CG1-CE2 3.45Å; V1125-F1130 VanDerWaalsContact CG1-CE2 3.45Å; V1125-F1130 HydrophobicContact CG1-CZ 3.73Å; S1126-F1130 VanDerWaalsContact O-CD2 3.23Å; S1126-F1130 WeakPolarHBondContact O-CD2 3.35Å; A1127-F1130 PolarHBondContact O-N 3.37Å; F1130-T1134 WeakPolarHBondContact O-CB 3.38Å; F1130-T1134 PolarHBondContact O-N 2.9Å; F1130-T1134 PolarHBondContact O-OG1 3.49Å
1131	A	97.2	Very high	94.9	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-41.8	172.8	0	0	0	0	0	112.9	A1127 G1128 L1129 T1134 H1135 S1164 A1168 W1206	A1127-A1131 PolarHBondContact O-N 2.99Å; G1128-A1131 WeakPolarHBondContact O-CB 3.5Å; G1128-A1131 PolarHBondContact O-N 3.46Å; L1129-A1131 PolarHBondContact O-N 3.19Å; A1131-T1134 WeakPolarHBondContact O-CB 3.46Å; A1131-T1134 PolarHBondContact O-N 3.47Å; A1131-H1135 PolarHBondContact O-N 2.81Å; A1131-S1164 WeakPolarHBondContact CB-O 3.31Å; A1131-A1168 HydrophobicContact CB-CB 4Å; A1131-A1168 VanDerWaalsContact O-CB 3.27Å; A1131-A1168 WeakPolarHBondContact O-CB 3.37Å; A1131-W1206 HydrophobicContact CB-CD2 3.8Å; A1131-W1206 HydrophobicContact CB-CE3 3.85Å; A1131-W1206 HydrophobicContact CB-CG 4.33Å; A1131-W1206 HydrophobicContact CB-CH2 4.3Å; A1131-W1206 HydrophobicContact CB-CZ2 4.25Å; A1131-W1206 HydrophobicContact CB-CZ3 4.11Å
1132	W	96.4	Very high	95.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.1	-44.3	174.1	-178.4	88.7	0	0	0	111.9	L1085 M1088 I1093 G1128 L1129 T1134 H1135 Q1136 W1178 A1199 W1206 I1207 F1251	L1085-W1132 HydrophobicContact CD2-CD2 4.22Å; L1085-W1132 HydrophobicContact CD2-CE3 3.82Å; L1085-W1132 HydrophobicContact CD2-CH2 3.81Å; L1085-W1132 HydrophobicContact CD2-CZ2 4.21Å; L1085-W1132 HydrophobicContact CD2-CZ3 3.61Å; M1088-W1132 HydrophobicContact CB-CH2 4.37Å; M1088-W1132 HydrophobicContact CB-CZ3 3.89Å; M1088-W1132 HydrophobicContact CG-CZ3 4.11Å; I1093-W1132 HydrophobicContact CD1-CH2 4.13Å; G1128-W1132 PolarHBondContact O-N 3.25Å; L1129-W1132 HydrophobicContact CD1-CE3 4.01Å; L1129-W1132 PolarHBondContact O-N 3.05Å; L1129-W1132 VanDerWaalsContact O-N 3.1Å; W1132-T1134 VanDerWaalsContact C-N 3.35Å; W1132-T1134 PolarHBondContact O-N 3.05Å; W1132-H1135 WeakPolarHBondContact O-CB 3.22Å; W1132-H1135 PolarHBondContact O-N 3.28Å; W1132-H1135 VanDerWaalsContact O-N 3.15Å; W1132-Q1136 HydrophobicContact CD2-CG 3.88Å; W1132-Q1136 HydrophobicContact CE3-CG 3.93Å; W1132-Q1136 HydrophobicContact CH2-CG 3.69Å; W1132-Q1136 HydrophobicContact CZ2-CG 3.61Å; W1132-Q1136 HydrophobicContact CZ3-CG 3.84Å; W1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; W1132-Q1136 PolarHBondContact O-N 3.19Å; W1132-W1178 HydrophobicContact CH2-CZ3 4.19Å; W1132-W1178 HydrophobicContact CZ2-CZ3 4.16Å; W1132-A1199 PolarHBondContact NE1-O 3.09Å; W1132-W1206 HydrophobicContact CB-CB 4.47Å; W1132-I1207 HydrophobicContact CB-CD1 3.92Å; W1132-I1207 HydrophobicContact CB-CG1 4.43Å; W1132-I1207 HydrophobicContact CD2-CD1 4.24Å; W1132-I1207 HydrophobicContact CG-CD1 3.91Å; W1132-F1251 AromaticContact CH2-CE2 3.94Å; W1132-F1251 HydrophobicContact CH2-CE2 3.94Å; W1132-F1251 HydrophobicContact CH2-CZ 4.34Å; W1132-F1251 AromaticContact CZ2-CE2 3.7Å; W1132-F1251 HydrophobicContact CZ2-CE2 3.7Å; W1132-F1251 AromaticContact CZ2-CZ 3.63Å; W1132-F1251 HydrophobicContact CZ2-CZ 3.63Å
1133	I	97.5	Very high	95.4	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-45.2	175.6	-64.4	174.1	0	0	0	110.4	L766 W768 M1088 L1129 H1135 Q1136 C1137	L766-I1133 HydrophobicContact CD2-CG2 4.11Å; W768-I1133 HydrophobicContact CE3-CB 4.4Å; W768-I1133 HydrophobicContact CE3-CG2 3.74Å; W768-I1133 HydrophobicContact CZ3-CB 3.99Å; W768-I1133 HydrophobicContact CZ3-CG2 3.53Å; M1088-I1133 HydrophobicContact CE-CB 4.37Å; M1088-I1133 HydrophobicContact CE-CG1 4.21Å; M1088-I1133 HydrophobicContact CE-CG2 3.7Å; M1088-I1133 HydrophobicContact CG-CD1 3.98Å; M1088-I1133 HydrophobicContact CG-CG1 3.9Å; M1088-I1133 HydrophobicContact SD-CB 4.5Å; M1088-I1133 HydrophobicContact SD-CD1 4.05Å; M1088-I1133 HydrophobicContact SD-CG1 3.96Å; M1088-I1133 HydrophobicContact SD-CG2 3.79Å; L1129-I1133 HydrophobicContact CD1-CD1 4.33Å; L1129-I1133 HydrophobicContact CD1-CG1 4.22Å; L1129-I1133 HydrophobicContact CD2-CD1 4.42Å; L1129-I1133 HydrophobicContact CG-CD1 3.95Å; L1129-I1133 HydrophobicContact CG-CG1 4.27Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.46Å; L1129-I1133 PolarHBondContact O-N 3.21Å; I1133-H1135 VanDerWaalsContact C-N 3.27Å; I1133-H1135 PolarHBondContact O-N 2.94Å; I1133-Q1136 PolarHBondContact O-N 2.6Å; I1133-C1137 PolarHBondContact O-N 2.82Å; I1133-C1137 PolarHBondContact O-SG 3.23Å; I1133-C1137 VanDerWaalsContact O-SG 3.38Å
1134	T	97.8	Very high	95.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-51.8	-47.4	173.9	-59.2	0	0	0	0	111	F1130 A1131 W1132 C1137 M1138 I1145 L1147 C1165 A1168 L1169	F1130-T1134 WeakPolarHBondContact O-CB 3.38Å; F1130-T1134 PolarHBondContact O-N 2.9Å; F1130-T1134 PolarHBondContact O-OG1 3.49Å; A1131-T1134 WeakPolarHBondContact O-CB 3.46Å; A1131-T1134 PolarHBondContact O-N 3.47Å; W1132-T1134 VanDerWaalsContact C-N 3.35Å; W1132-T1134 PolarHBondContact O-N 3.05Å; T1134-C1137 PolarHBondContact O-N 2.79Å; T1134-M1138 HydrophobicContact CG2-SD 4.42Å; T1134-M1138 WeakPolarHBondContact O-CG 3.45Å; T1134-M1138 PolarHBondContact O-N 3.28Å; T1134-I1145 HydrophobicContact CG2-CD1 3.8Å; T1134-L1147 HydrophobicContact CG2-CD1 4.33Å; T1134-L1147 HydrophobicContact CG2-CD2 4.45Å; T1134-C1165 PolarHBondContact OG1-SG 3.2Å; T1134-C1165 VanDerWaalsContact OG1-SG 3.34Å; T1134-A1168 HydrophobicContact CG2-CB 4.1Å; T1134-L1169 HydrophobicContact CG2-CD2 3.63Å; T1134-L1169 HydrophobicContact CG2-CG 3.87Å
1135	H	94.4	Very high	95.8	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-43.1	179.2	-167.5	-89.3	0	0	0	113.1	A1131 W1132 I1133 C1137 M1138 S1139 P1172 E1198 N1202	A1131-H1135 PolarHBondContact O-N 2.81Å; W1132-H1135 WeakPolarHBondContact O-CB 3.22Å; W1132-H1135 PolarHBondContact O-N 3.28Å; W1132-H1135 VanDerWaalsContact O-N 3.15Å; I1133-H1135 VanDerWaalsContact C-N 3.27Å; I1133-H1135 PolarHBondContact O-N 2.94Å; H1135-C1137 PolarHBondContact O-N 2.95Å; H1135-M1138 WeakPolarHBondContact O-CB 3.32Å; H1135-M1138 PolarHBondContact O-N 3.42Å; H1135-S1139 PolarHBondContact O-N 3.13Å; H1135-P1172 PolarHBondContact NE2-O 3.46Å; H1135-E1198 IonicContact CE1-OE1 3.72Å; H1135-E1198 PolarHBondContact CE1-OE1 3.3Å; H1135-N1202 PolarHBondContact CE1-ND2 3.44Å; H1135-N1202 PolarHBondContact ND1-ND2 3.2Å; H1135-N1202 VanDerWaalsContact ND1-ND2 3.18Å
1136	Q	94.8	Very high	95.9	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.023	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-45	174.1	-65	-57.2	-46.9	0	0	111.4	M1088 I1093 W1132 I1133 M1138 S1139 I1140	M1088-Q1136 HydrophobicContact CE-CB 4.5Å; I1093-Q1136 HydrophobicContact CD1-CB 4.26Å; I1093-Q1136 HydrophobicContact CD1-CG 4.15Å; W1132-Q1136 HydrophobicContact CD2-CG 3.88Å; W1132-Q1136 HydrophobicContact CE3-CG 3.93Å; W1132-Q1136 HydrophobicContact CH2-CG 3.69Å; W1132-Q1136 HydrophobicContact CZ2-CG 3.61Å; W1132-Q1136 HydrophobicContact CZ3-CG 3.84Å; W1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; W1132-Q1136 PolarHBondContact O-N 3.19Å; I1133-Q1136 PolarHBondContact O-N 2.6Å; Q1136-M1138 VanDerWaalsContact C-N 3.3Å; Q1136-M1138 PolarHBondContact O-N 2.92Å; Q1136-S1139 WeakPolarHBondContact O-CB 3.46Å; Q1136-S1139 PolarHBondContact O-N 3.17Å; Q1136-S1139 PolarHBondContact O-OG 3.12Å; Q1136-I1140 PolarHBondContact O-N 3.32Å
1137	C	96.7	Very high	96.1	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.014	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-36.2	175.7	-69.1	0	0	0	0	112.6	I1104 I1106 I1133 T1134 H1135 S1139 I1140 S1141 I1145	I1104-C1137 HydrophobicContact CD1-CB 3.99Å; I1106-C1137 HydrophobicContact CD1-CB 4.33Å; I1133-C1137 PolarHBondContact O-N 2.82Å; I1133-C1137 PolarHBondContact O-SG 3.23Å; I1133-C1137 VanDerWaalsContact O-SG 3.38Å; T1134-C1137 PolarHBondContact O-N 2.79Å; H1135-C1137 PolarHBondContact O-N 2.95Å; C1137-S1139 VanDerWaalsContact C-N 3.25Å; C1137-S1139 PolarHBondContact O-N 3.42Å; C1137-I1140 PolarHBondContact O-N 3.4Å; C1137-I1140 VanDerWaalsContact O-N 3.13Å; C1137-S1141 PolarHBondContact O-N 3.48Å; C1137-I1145 HydrophobicContact CB-CD1 4.35Å; C1137-I1145 HydrophobicContact CB-CG2 4.2Å
1138	M	95.1	Very high	96.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-30.9	173.2	-70.6	169.2	54.5	0	0	113	T1134 H1135 Q1136 I1140 S1143 I1145 L1169 L1171 A1173	T1134-M1138 HydrophobicContact CG2-SD 4.42Å; T1134-M1138 WeakPolarHBondContact O-CG 3.45Å; T1134-M1138 PolarHBondContact O-N 3.28Å; H1135-M1138 WeakPolarHBondContact O-CB 3.32Å; H1135-M1138 PolarHBondContact O-N 3.42Å; Q1136-M1138 VanDerWaalsContact C-N 3.3Å; Q1136-M1138 PolarHBondContact O-N 2.92Å; M1138-I1140 VanDerWaalsContact C-N 3.33Å; M1138-S1143 WeakPolarHBondContact O-CA 3.4Å; M1138-S1143 PolarHBondContact O-N 2.8Å; M1138-I1145 HydrophobicContact CG-CD1 3.47Å; M1138-I1145 VanDerWaalsContact CG-CD1 3.47Å; M1138-I1145 HydrophobicContact CG-CG1 3.89Å; M1138-I1145 HydrophobicContact SD-CD1 4.31Å; M1138-L1169 HydrophobicContact SD-CD2 4.11Å; M1138-L1171 WeakPolarHBondContact CE-O 3.45Å; M1138-A1173 HydrophobicContact CB-CB 3.79Å; M1138-A1173 HydrophobicContact CE-CB 4.12Å
1139	S	91.4	Very high	96.3	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.028	5%	0.049	C	C	.	.	H	α-helix	trans	-72.3	-25	175.4	83.1	0	0	0	0	113.3	H1135 Q1136 C1137 H1177	H1135-S1139 PolarHBondContact O-N 3.13Å; Q1136-S1139 WeakPolarHBondContact O-CB 3.46Å; Q1136-S1139 PolarHBondContact O-N 3.17Å; Q1136-S1139 PolarHBondContact O-OG 3.12Å; C1137-S1139 VanDerWaalsContact C-N 3.25Å; C1137-S1139 PolarHBondContact O-N 3.42Å; S1139-H1177 PolarHBondContact O-CE1 2.86Å; S1139-H1177 PolarHBondContact O-ND1 3.5Å
1140	I	94.5	Very high	96.3	Very high	15 Å²	15	9.6 Å²	9.6	8%	0.077	5%	0.049	C	C	.	.	H	α-helix	trans	-83.2	-48.2	-174.9	-65.6	167.5	0	0	0	111.4	I1093 P1101 I1104 Q1136 C1137 M1138	I1093-I1140 HydrophobicContact CG1-CD1 4.46Å; P1101-I1140 HydrophobicContact CG-CG2 3.94Å; I1104-I1140 HydrophobicContact CD1-CB 4.09Å; I1104-I1140 HydrophobicContact CD1-CG2 4.07Å; Q1136-I1140 PolarHBondContact O-N 3.32Å; C1137-I1140 PolarHBondContact O-N 3.4Å; C1137-I1140 VanDerWaalsContact O-N 3.13Å; M1138-I1140 VanDerWaalsContact C-N 3.33Å
1141	S	94	Very high	96.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	16.4	-175.3	67.7	0	0	0	0	114.7	C1137 R1144 I1145	C1137-S1141 PolarHBondContact O-N 3.48Å; S1141-R1144 WeakPolarHBondContact CB-O 3.44Å; S1141-R1144 PolarHBondContact O-N 3.3Å; S1141-R1144 PolarHBondContact OG-N 3.34Å; S1141-R1144 PolarHBondContact OG-O 2.77Å; S1141-I1145 VanDerWaalsContact OG-CG2 3.23Å; S1141-I1145 WeakPolarHBondContact OG-CG2 3.44Å
1142	N	91.9	Very high	96	Very high	94 Å²	94	9.6 Å²	9.6	50%	0.503	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	54.5	-170.8	-69.1	-85.8	0	0	0	111.5	R717 R1144	R717-N1142 VanDerWaalsContact CZ-O 3.27Å; R717-N1142 PolarHBondContact NH1-O 2.85Å; R717-N1142 PolarHBondContact NH2-O 2.95Å; N1142-R1144 PolarHBondContact O-N 3.22Å; N1142-R1144 VanDerWaalsContact O-N 3.13Å
1143	S	94.1	Very high	95.9	Very high	17 Å²	17	10.2 Å²	10.2	12%	0.119	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-5.2	-174.3	-52.6	0	0	0	0	117.5	R720 N721 M1138 I1145 A1173	R720-S1143 CarbonylContact O-C 3.56Å; N721-S1143 WeakPolarHBondContact CB-O 3.39Å; M1138-S1143 WeakPolarHBondContact O-CA 3.4Å; M1138-S1143 PolarHBondContact O-N 2.8Å; S1143-I1145 VanDerWaalsContact C-N 3.26Å; S1143-I1145 PolarHBondContact O-N 3.47Å; S1143-A1173 WeakPolarHBondContact OG-CB 3.3Å
1144	R	96.8	Very high	95.7	Very high	49 Å²	49	11.2 Å²	11.2	19%	0.185	6%	0.06	C	C	.	.			trans	-72.3	84.5	177.2	-71	176.8	-60	-151.3	4.9	110.2	V714 R717 D1102 I1103 I1104 S1141 N1142	V714-R1144 HydrophobicContact CG1-CB 4Å; V714-R1144 HydrophobicContact CG1-CG 4.19Å; R717-R1144 VanDerWaalsContact CZ-CG 3.46Å; D1102-R1144 PolarHBondContact O-NE 2.76Å; D1102-R1144 PolarHBondContact O-NH2 2.82Å; I1103-R1144 WeakPolarHBondContact CA-O 3.33Å; I1103-R1144 HydrophobicContact CB-CB 4.28Å; I1103-R1144 HydrophobicContact CG1-CB 4.2Å; I1103-R1144 WeakPolarHBondContact CG1-O 3.44Å; I1104-R1144 PolarHBondContact N-O 2.96Å; S1141-R1144 WeakPolarHBondContact CB-O 3.44Å; S1141-R1144 PolarHBondContact O-N 3.3Å; S1141-R1144 PolarHBondContact OG-N 3.34Å; S1141-R1144 PolarHBondContact OG-O 2.77Å; N1142-R1144 PolarHBondContact O-N 3.22Å; N1142-R1144 VanDerWaalsContact O-N 3.13Å
1145	I	98.1	Very high	95.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.3	174	74.5	168.3	0	0	0	110.9	N721 G722 I1104 T1134 C1137 M1138 S1141 S1143 L1147 L1169	N721-I1145 CarbonylContact C-O 3.57Å; N721-I1145 VanDerWaalsContact CA-O 3.27Å; N721-I1145 WeakPolarHBondContact CA-O 3.4Å; N721-I1145 HydrophobicContact CB-CG1 4.05Å; N721-I1145 WeakPolarHBondContact CB-O 3.36Å; G722-I1145 PolarHBondContact N-O 3.43Å; I1104-I1145 HydrophobicContact CB-CG2 3.99Å; I1104-I1145 HydrophobicContact CD1-CG2 4.29Å; I1104-I1145 VanDerWaalsContact O-CA 3.25Å; I1104-I1145 WeakPolarHBondContact O-CA 3.47Å; T1134-I1145 HydrophobicContact CG2-CD1 3.8Å; C1137-I1145 HydrophobicContact CB-CD1 4.35Å; C1137-I1145 HydrophobicContact CB-CG2 4.2Å; M1138-I1145 HydrophobicContact CG-CD1 3.47Å; M1138-I1145 VanDerWaalsContact CG-CD1 3.47Å; M1138-I1145 HydrophobicContact CG-CG1 3.89Å; M1138-I1145 HydrophobicContact SD-CD1 4.31Å; S1141-I1145 VanDerWaalsContact OG-CG2 3.23Å; S1141-I1145 WeakPolarHBondContact OG-CG2 3.44Å; S1143-I1145 VanDerWaalsContact C-N 3.26Å; S1143-I1145 PolarHBondContact O-N 3.47Å; I1145-L1147 HydrophobicContact CD1-CD1 3.8Å; I1145-L1147 HydrophobicContact CG1-CD1 4.17Å; I1145-L1169 HydrophobicContact CD1-CD2 3.64Å; I1145-L1169 HydrophobicContact CG1-CD2 3.77Å
1146	V	98.6	Very high	95.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.8	169.6	173	0	0	0	0	108.8	L710 V714 G722 I1104 L1105 I1106	L710-V1146 HydrophobicContact CB-CG1 4.48Å; L710-V1146 HydrophobicContact CD2-CG1 3.73Å; L710-V1146 HydrophobicContact CG-CG1 3.91Å; L710-V1146 HydrophobicContact CG-CG2 4Å; V714-V1146 HydrophobicContact CB-CG2 3.82Å; V714-V1146 HydrophobicContact CG1-CG2 4.11Å; V714-V1146 HydrophobicContact CG2-CG2 3.67Å; G722-V1146 WeakPolarHBondContact O-CA 3.4Å; I1104-V1146 PolarHBondContact O-N 2.89Å; I1104-V1146 VanDerWaalsContact O-N 3.09Å; L1105-V1146 CarbonylContact C-O 3.58Å; L1105-V1146 WeakPolarHBondContact CA-O 3.1Å; L1105-V1146 HydrophobicContact CD2-CB 3.97Å; I1106-V1146 PolarHBondContact N-O 2.81Å
1147	L	98.8	Very high	95.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.8	170.3	-70.6	66.5	0	0	0	108.2	G722 F723 A724 W768 I1106 A1108 T1134 I1145 C1165 L1169	G722-L1147 PolarHBondContact O-N 3.46Å; F723-L1147 CarbonylContact C-O 3.42Å; F723-L1147 WeakPolarHBondContact CA-O 3.37Å; F723-L1147 HydrophobicContact CD2-CB 3.66Å; F723-L1147 HydrophobicContact CD2-CD2 3.72Å; F723-L1147 HydrophobicContact CD2-CG 4.26Å; F723-L1147 HydrophobicContact CE2-CB 3.67Å; F723-L1147 HydrophobicContact CE2-CD2 3.46Å; F723-L1147 VanDerWaalsContact CE2-CD2 3.46Å; F723-L1147 HydrophobicContact CE2-CG 4.21Å; F723-L1147 HydrophobicContact CG-CB 4.16Å; F723-L1147 HydrophobicContact CZ-CB 4.16Å; F723-L1147 HydrophobicContact CZ-CD2 4.48Å; A724-L1147 PolarHBondContact N-O 3.37Å; W768-L1147 HydrophobicContact CH2-CD2 3.9Å; W768-L1147 HydrophobicContact CZ2-CD2 4.1Å; I1106-L1147 HydrophobicContact CB-CG 4.06Å; I1106-L1147 HydrophobicContact CD1-CD1 3.99Å; I1106-L1147 HydrophobicContact CD1-CG 4.12Å; I1106-L1147 HydrophobicContact CG1-CD1 4.47Å; I1106-L1147 HydrophobicContact CG1-CG 4.44Å; A1108-L1147 HydrophobicContact CB-CB 4.19Å; T1134-L1147 HydrophobicContact CG2-CD1 4.33Å; T1134-L1147 HydrophobicContact CG2-CD2 4.45Å; I1145-L1147 HydrophobicContact CD1-CD1 3.8Å; I1145-L1147 HydrophobicContact CG1-CD1 4.17Å; L1147-C1165 HydrophobicContact CD2-CB 3.86Å; L1147-L1169 HydrophobicContact CD1-CD1 4.42Å; L1147-L1169 HydrophobicContact CD1-CD2 4.04Å
1148	A	98.7	Very high	95.3	Very high	3 Å²	3	16 Å²	16	3%	0.025	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.6	172	0	0	0	0	0	109.2	V707 A724 V747 I1106 A1108 E1150	V707-A1148 HydrophobicContact CG1-CB 4.12Å; V707-A1148 HydrophobicContact CG2-CB 3.66Å; A724-A1148 HydrophobicContact CB-CB 4.32Å; V747-A1148 HydrophobicContact CG2-CB 3.85Å; I1106-A1148 PolarHBondContact O-N 3.08Å; A1108-A1148 WeakPolarHBondContact CA-O 3.38Å; A1108-A1148 WeakPolarHBondContact CB-O 3.37Å; A1108-A1148 PolarHBondContact N-O 2.86Å; A1148-E1150 PolarHBondContact O-N 3.01Å
1149	L	98.6	Very high	95.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.1	-178.8	-179.4	60.1	0	0	0	111.1	L529 F723 A724 Y1110 V1158 I1162	L529-L1149 HydrophobicContact CD1-CD2 3.68Å; L529-L1149 HydrophobicContact CG-CD2 4.38Å; F723-L1149 HydrophobicContact CE1-CB 4.42Å; A724-L1149 PolarHBondContact O-N 2.82Å; Y1110-L1149 HydrophobicContact CD2-CD1 3.85Å; Y1110-L1149 HydrophobicContact CE2-CD1 4.05Å; L1149-V1158 HydrophobicContact CD1-CG1 4.3Å; L1149-I1162 HydrophobicContact CD1-CD1 4.26Å; L1149-I1162 HydrophobicContact CD2-CD1 4.19Å
1150	E	98.7	Very high	95.5	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.014	11%	0.107	C	C	.	.			trans	-106.9	-110.9	172.6	-55.9	-79	-173.5	0	0	108.9	R528 P729 G730 H731 V747 S1107 A1108 A1148	R528-E1150 PolarHBondContact NH1-O 2.79Å; R528-E1150 PolarHBondContact NH2-O 3.17Å; P729-E1150 HydrophobicContact CB-CB 4.43Å; G730-E1150 PolarHBondContact N-OE2 3.03Å; H731-E1150 IonicContact CD2-OE2 3.64Å; H731-E1150 IonicContact CG-OE2 3.01Å; H731-E1150 PolarHBondContact N-OE2 2.88Å; V747-E1150 WeakPolarHBondContact CG2-OE1 3.33Å; S1107-E1150 WeakPolarHBondContact CB-OE1 3.35Å; S1107-E1150 PolarHBondContact OG-OE1 2.86Å; A1108-E1150 PolarHBondContact O-N 2.87Å; A1148-E1150 PolarHBondContact O-N 3.01Å
1151	G	94.7	Very high	95.7	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.103	C	C	.	.			trans	-81.1	-157.7	176.5	0	0	0	0	0	115.7	R528 D769 Y1110 D1111 Y1153	R528-G1151 VanDerWaalsContact NH2-C 3.26Å; R528-G1151 PolarHBondContact NH2-O 2.71Å; D769-G1151 WeakPolarHBondContact OD2-CA 3.19Å; D769-G1151 PolarHBondContact OD2-N 2.79Å; Y1110-G1151 PolarHBondContact N-O 2.91Å; D1111-G1151 WeakPolarHBondContact OD2-CA 3.32Å; G1151-Y1153 WeakPolarHBondContact CA-OH 3.48Å
1152	G	95.2	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.			trans	82.6	126.1	-166	0	0	0	0	0	112.4	R528 D1111 V1158	R528-G1152 VanDerWaalsContact CZ-O 3.25Å; R528-G1152 PolarHBondContact NE-O 2.74Å; R528-G1152 PolarHBondContact NH2-O 3.37Å; D1111-G1152 VanDerWaalsContact CG-N 3.27Å; D1111-G1152 VanDerWaalsContact N-CA 3.29Å; D1111-G1152 PolarHBondContact OD2-N 2.92Å; G1152-V1158 VanDerWaalsContact C-CG2 3.45Å; G1152-V1158 WeakPolarHBondContact O-CG2 3.44Å
1153	Y	93.8	Very high	96	Very high	13 Å²	13	13.7 Å²	13.7	5%	0.051	8%	0.08	C	C	.	.			trans	-133.3	-10.3	-159.4	-49.8	-71.9	0	0	0	114.9	P523 F741 D1111 H1116 L1120 G1151 P1155	P523-Y1153 HydrophobicContact CB-CD1 3.63Å; P523-Y1153 HydrophobicContact CB-CE1 4.4Å; P523-Y1153 HydrophobicContact CB-CG 3.71Å; P523-Y1153 WeakPolarHBondContact O-CD1 3.27Å; F741-Y1153 HydrophobicContact CD2-CE1 4.11Å; F741-Y1153 AromaticContact CE2-CE1 3.86Å; F741-Y1153 HydrophobicContact CE2-CE1 3.86Å; F741-Y1153 AromaticContact CE2-CZ 3.79Å; D1111-Y1153 HydrophobicContact CB-CD2 4.24Å; D1111-Y1153 HydrophobicContact CB-CE2 4.06Å; D1111-Y1153 WeakPolarHBondContact OD2-CE2 3.33Å; H1116-Y1153 PolarHBondContact CD2-N 3.42Å; H1116-Y1153 PolarHBondContact NE2-N 3.32Å; L1120-Y1153 HydrophobicContact CB-CD2 4.21Å; L1120-Y1153 HydrophobicContact CD1-CD2 4.08Å; L1120-Y1153 HydrophobicContact CD1-CG 4.39Å; L1120-Y1153 HydrophobicContact CD2-CD2 4.27Å; L1120-Y1153 HydrophobicContact CD2-CE2 4.36Å; L1120-Y1153 HydrophobicContact CG-CD2 4.43Å; G1151-Y1153 WeakPolarHBondContact CA-OH 3.48Å; Y1153-P1155 VanDerWaalsContact O-CD 3.26Å; Y1153-P1155 WeakPolarHBondContact O-CD 3.22Å
1154	S	92.9	Very high	96.2	Very high	25 Å²	25	13.3 Å²	13.3	18%	0.175	8%	0.078	C	C	.	.			trans	-79.1	108.7	164.8	169.3	0	0	0	0	108.6	H1116 S1156 T1157 V1158	H1116-S1154 PolarHBondContact NE2-N 2.79Å; S1154-S1156 VanDerWaalsContact C-N 3.27Å; S1154-S1156 PolarHBondContact O-N 3.48Å; S1154-S1156 PolarHBondContact OG-OG 3.44Å; S1154-T1157 WeakPolarHBondContact CB-OG1 3.35Å; S1154-T1157 PolarHBondContact O-N 3.36Å; S1154-T1157 VanDerWaalsContact O-N 3.14Å; S1154-T1157 WeakPolarHBondContact OG-CB 3.22Å; S1154-T1157 PolarHBondContact OG-N 2.9Å; S1154-T1157 PolarHBondContact OG-OG1 2.91Å; S1154-V1158 WeakPolarHBondContact O-CB 3.17Å; S1154-V1158 VanDerWaalsContact O-CG2 3.32Å; S1154-V1158 WeakPolarHBondContact O-CG2 3.45Å; S1154-V1158 PolarHBondContact O-N 2.87Å
1155	P	91.2	Very high	96.2	Very high	26 Å²	26	11 Å²	11	17%	0.169	7%	0.069	C	C	.	.	H	α-helix	trans	-64.9	-30.8	-169.7	-23.6	35.9	0	0	0	113.5	D527 S531 Y1153 A1159	D527-P1155 HydrophobicContact CB-CG 4.46Å; S531-P1155 WeakPolarHBondContact CB-O 3.21Å; S531-P1155 WeakPolarHBondContact OG-CB 3.39Å; Y1153-P1155 VanDerWaalsContact O-CD 3.26Å; Y1153-P1155 WeakPolarHBondContact O-CD 3.22Å; P1155-A1159 VanDerWaalsContact O-CB 3.26Å; P1155-A1159 WeakPolarHBondContact O-CB 3.46Å; P1155-A1159 PolarHBondContact O-N 3.5Å
1156	S	92.3	Very high	96.1	Very high	66 Å²	66	11 Å²	11	46%	0.462	7%	0.069	S	C	.	.	H	α-helix	trans	-68.5	-46.6	173	49.2	0	0	0	0	112.1	S1154 A1159 D1160	S1154-S1156 VanDerWaalsContact C-N 3.27Å; S1154-S1156 PolarHBondContact O-N 3.48Å; S1154-S1156 PolarHBondContact OG-OG 3.44Å; S1156-A1159 WeakPolarHBondContact O-CB 3.36Å; S1156-A1159 PolarHBondContact O-N 3.35Å; S1156-D1160 VanDerWaalsContact O-CG 3.23Å; S1156-D1160 PolarHBondContact O-N 2.9Å
1157	T	95.2	Very high	95.8	Very high	18 Å²	18	10.9 Å²	10.9	11%	0.11	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-44.1	176.9	-51.5	0	0	0	0	111.3	A1113 Y1114 S1154 A1159 D1160 C1161	A1113-T1157 HydrophobicContact CB-CG2 3.48Å; A1113-T1157 VanDerWaalsContact CB-CG2 3.48Å; Y1114-T1157 WeakPolarHBondContact O-CG2 3.48Å; Y1114-T1157 PolarHBondContact O-OG1 3.42Å; Y1114-T1157 VanDerWaalsContact O-OG1 3.09Å; S1154-T1157 WeakPolarHBondContact CB-OG1 3.35Å; S1154-T1157 PolarHBondContact O-N 3.36Å; S1154-T1157 VanDerWaalsContact O-N 3.14Å; S1154-T1157 WeakPolarHBondContact OG-CB 3.22Å; S1154-T1157 PolarHBondContact OG-N 2.9Å; S1154-T1157 PolarHBondContact OG-OG1 2.91Å; T1157-A1159 VanDerWaalsContact C-N 3.31Å; T1157-A1159 PolarHBondContact O-N 3Å; T1157-D1160 WeakPolarHBondContact O-CB 3.12Å; T1157-D1160 PolarHBondContact O-N 2.89Å; T1157-C1161 PolarHBondContact O-N 3.14Å; T1157-C1161 PolarHBondContact O-SG 3.48Å; T1157-C1161 VanDerWaalsContact O-SG 3.36Å
1158	V	96.4	Very high	95.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.6	-43.5	175.3	170.5	0	0	0	0	110.4	Y1110 L1149 G1152 S1154 C1161 I1162	Y1110-V1158 HydrophobicContact CD2-CG1 4.5Å; L1149-V1158 HydrophobicContact CD1-CG1 4.3Å; G1152-V1158 VanDerWaalsContact C-CG2 3.45Å; G1152-V1158 WeakPolarHBondContact O-CG2 3.44Å; S1154-V1158 WeakPolarHBondContact O-CB 3.17Å; S1154-V1158 VanDerWaalsContact O-CG2 3.32Å; S1154-V1158 WeakPolarHBondContact O-CG2 3.45Å; S1154-V1158 PolarHBondContact O-N 2.87Å; V1158-C1161 PolarHBondContact O-N 3.36Å; V1158-I1162 HydrophobicContact CG1-CD1 3.67Å; V1158-I1162 HydrophobicContact CG1-CG1 4.41Å; V1158-I1162 WeakPolarHBondContact O-CB 3.37Å; V1158-I1162 VanDerWaalsContact O-CG1 3.28Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.4Å; V1158-I1162 PolarHBondContact O-N 3.4Å
1159	A	94.6	Very high	95.4	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-63.8	-39.9	175.1	0	0	0	0	0	112.9	S531 R535 P1155 S1156 T1157 T1163	S531-A1159 WeakPolarHBondContact O-CB 3.45Å; R535-A1159 HydrophobicContact CB-CB 4.05Å; P1155-A1159 VanDerWaalsContact O-CB 3.26Å; P1155-A1159 WeakPolarHBondContact O-CB 3.46Å; P1155-A1159 PolarHBondContact O-N 3.5Å; S1156-A1159 WeakPolarHBondContact O-CB 3.36Å; S1156-A1159 PolarHBondContact O-N 3.35Å; T1157-A1159 VanDerWaalsContact C-N 3.31Å; T1157-A1159 PolarHBondContact O-N 3Å; A1159-T1163 WeakPolarHBondContact O-CB 3.26Å; A1159-T1163 PolarHBondContact O-N 3.4Å; A1159-T1163 PolarHBondContact O-OG1 3.5Å
1160	D	96.3	Very high	95	Very high	59 Å²	59	10.7 Å²	10.7	32%	0.316	7%	0.067	S	C	.	.	H	α-helix	trans	-59.9	-53.5	174.4	-65.9	-20.7	0	0	0	110.5	R535 A1127 S1156 T1157 I1162 T1163 S1164	R535-D1160 IonicContact CZ-OD1 3.61Å; R535-D1160 IonicContact NH1-OD1 3.76Å; R535-D1160 PolarHBondContact NH1-OD1 3.04Å; R535-D1160 IonicContact NH2-OD1 3.22Å; R535-D1160 PolarHBondContact NH2-OD1 3.36Å; A1127-D1160 HydrophobicContact CB-CB 4.06Å; S1156-D1160 VanDerWaalsContact O-CG 3.23Å; S1156-D1160 PolarHBondContact O-N 2.9Å; T1157-D1160 WeakPolarHBondContact O-CB 3.12Å; T1157-D1160 PolarHBondContact O-N 2.89Å; D1160-I1162 PolarHBondContact O-N 3Å; D1160-T1163 WeakPolarHBondContact O-CB 3.48Å; D1160-T1163 PolarHBondContact O-N 2.88Å; D1160-S1164 PolarHBondContact O-N 3.5Å; D1160-S1164 PolarHBondContact O-OG 3.33Å
1161	C	98	Very high	94.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.5	-46.6	-179.1	-68.9	0	0	0	0	112.9	Y1110 A1127 T1157 V1158 T1163 S1164 C1165	Y1110-C1161 HydrophobicContact CD1-CB 3.34Å; Y1110-C1161 HydrophobicContact CD2-CB 4.01Å; Y1110-C1161 HydrophobicContact CE1-CB 3.54Å; Y1110-C1161 HydrophobicContact CE2-CB 4.18Å; Y1110-C1161 HydrophobicContact CG-CB 3.58Å; A1127-C1161 HydrophobicContact CB-CB 4.48Å; T1157-C1161 PolarHBondContact O-N 3.14Å; T1157-C1161 PolarHBondContact O-SG 3.48Å; T1157-C1161 VanDerWaalsContact O-SG 3.36Å; V1158-C1161 PolarHBondContact O-N 3.36Å; C1161-T1163 VanDerWaalsContact C-N 3.31Å; C1161-T1163 PolarHBondContact O-N 3.32Å; C1161-S1164 PolarHBondContact O-N 3.08Å; C1161-C1165 WeakPolarHBondContact O-CB 3.32Å; C1161-C1165 PolarHBondContact O-N 3.36Å; C1161-C1165 PolarHBondContact O-SG 3.11Å
1162	I	97.8	Very high	93.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62	-41.2	176.2	-68.5	172.7	0	0	0	110.5	A532 L536 F723 I725 Y1110 L1149 V1158 D1160 C1165 V1166	A532-I1162 HydrophobicContact CB-CB 4.35Å; A532-I1162 HydrophobicContact CB-CD1 3.63Å; A532-I1162 HydrophobicContact CB-CG2 4.29Å; L536-I1162 HydrophobicContact CD1-CG2 4.1Å; F723-I1162 HydrophobicContact CE1-CD1 4.33Å; F723-I1162 HydrophobicContact CE1-CG1 4.14Å; F723-I1162 HydrophobicContact CE1-CG2 4.35Å; F723-I1162 HydrophobicContact CE2-CG1 4.36Å; F723-I1162 HydrophobicContact CE2-CG2 4.44Å; F723-I1162 HydrophobicContact CZ-CB 4.45Å; F723-I1162 HydrophobicContact CZ-CD1 4.35Å; F723-I1162 HydrophobicContact CZ-CG1 3.73Å; F723-I1162 HydrophobicContact CZ-CG2 4.29Å; I725-I1162 HydrophobicContact CD1-CG2 4.33Å; Y1110-I1162 HydrophobicContact CD2-CG1 4.22Å; Y1110-I1162 HydrophobicContact CE2-CD1 4.32Å; Y1110-I1162 HydrophobicContact CE2-CG1 3.53Å; L1149-I1162 HydrophobicContact CD1-CD1 4.26Å; L1149-I1162 HydrophobicContact CD2-CD1 4.19Å; V1158-I1162 HydrophobicContact CG1-CD1 3.67Å; V1158-I1162 HydrophobicContact CG1-CG1 4.41Å; V1158-I1162 WeakPolarHBondContact O-CB 3.37Å; V1158-I1162 VanDerWaalsContact O-CG1 3.28Å; V1158-I1162 WeakPolarHBondContact O-CG1 3.4Å; V1158-I1162 PolarHBondContact O-N 3.4Å; D1160-I1162 PolarHBondContact O-N 3Å; I1162-C1165 PolarHBondContact O-N 3.03Å; I1162-V1166 HydrophobicContact CG2-CG2 4.21Å; I1162-V1166 WeakPolarHBondContact O-CB 3.43Å; I1162-V1166 VanDerWaalsContact O-CG2 3.31Å; I1162-V1166 WeakPolarHBondContact O-CG2 3.32Å; I1162-V1166 PolarHBondContact O-N 2.86Å
1163	T	95.9	Very high	93.4	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-45.7	178.6	-63	0	0	0	0	111.6	R535 T539 L594 A1159 D1160 C1161 N1167	R535-T1163 HydrophobicContact CG-CG2 4.12Å; R535-T1163 WeakPolarHBondContact CG-OG1 3.4Å; T539-T1163 HydrophobicContact CG2-CG2 3.73Å; L594-T1163 HydrophobicContact CD1-CG2 3.55Å; A1159-T1163 WeakPolarHBondContact O-CB 3.26Å; A1159-T1163 PolarHBondContact O-N 3.4Å; A1159-T1163 PolarHBondContact O-OG1 3.5Å; D1160-T1163 WeakPolarHBondContact O-CB 3.48Å; D1160-T1163 PolarHBondContact O-N 2.88Å; C1161-T1163 VanDerWaalsContact C-N 3.31Å; C1161-T1163 PolarHBondContact O-N 3.32Å; T1163-N1167 WeakPolarHBondContact O-CB 3.37Å; T1163-N1167 PolarHBondContact O-N 3.42Å
1164	S	96.6	Very high	92.7	Very high	10 Å²	10	12.9 Å²	12.9	7%	0.07	9%	0.085	C	C	.	.	H	α-helix	trans	-66.8	-41.9	176.9	-56.1	0	0	0	0	111.9	A1127 A1131 D1160 C1161 N1167 A1168	A1127-S1164 WeakPolarHBondContact O-CB 3.27Å; A1131-S1164 WeakPolarHBondContact CB-O 3.31Å; D1160-S1164 PolarHBondContact O-N 3.5Å; D1160-S1164 PolarHBondContact O-OG 3.33Å; C1161-S1164 PolarHBondContact O-N 3.08Å; S1164-N1167 PolarHBondContact O-N 2.87Å; S1164-A1168 PolarHBondContact O-N 3.45Å
1165	C	98	Very high	91.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-46	174	-78.1	0	0	0	0	112.7	F723 Y1110 T1134 L1147 C1161 I1162 N1167 A1168 L1169	F723-C1165 HydrophobicContact CD2-CB 4.37Å; F723-C1165 HydrophobicContact CE2-CB 4.01Å; Y1110-C1165 PolarHBondContact OH-SG 3.12Å; T1134-C1165 PolarHBondContact OG1-SG 3.2Å; T1134-C1165 VanDerWaalsContact OG1-SG 3.34Å; L1147-C1165 HydrophobicContact CD2-CB 3.86Å; C1161-C1165 WeakPolarHBondContact O-CB 3.32Å; C1161-C1165 PolarHBondContact O-N 3.36Å; C1161-C1165 PolarHBondContact O-SG 3.11Å; I1162-C1165 PolarHBondContact O-N 3.03Å; C1165-N1167 VanDerWaalsContact C-N 3.34Å; C1165-N1167 PolarHBondContact O-N 2.95Å; C1165-A1168 PolarHBondContact O-N 3.32Å; C1165-L1169 WeakPolarHBondContact O-CG 3.48Å; C1165-L1169 PolarHBondContact O-N 2.67Å
1166	V	95.8	Very high	91.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-36.9	178.4	170.6	0	0	0	0	111.6	L536 F723 I1162 L1169 L1170	L536-V1166 HydrophobicContact CD1-CG2 4.36Å; L536-V1166 HydrophobicContact CD2-CB 3.77Å; L536-V1166 HydrophobicContact CD2-CG1 3.85Å; L536-V1166 HydrophobicContact CD2-CG2 4.03Å; F723-V1166 HydrophobicContact CB-CG2 4.13Å; F723-V1166 HydrophobicContact CD2-CG2 4.02Å; F723-V1166 HydrophobicContact CG-CG2 4.18Å; I1162-V1166 HydrophobicContact CG2-CG2 4.21Å; I1162-V1166 WeakPolarHBondContact O-CB 3.43Å; I1162-V1166 VanDerWaalsContact O-CG2 3.31Å; I1162-V1166 WeakPolarHBondContact O-CG2 3.32Å; I1162-V1166 PolarHBondContact O-N 2.86Å; V1166-L1169 PolarHBondContact O-N 3.49Å; V1166-L1170 HydrophobicContact CG1-CD1 4.4Å; V1166-L1170 WeakPolarHBondContact O-CG 3.42Å; V1166-L1170 PolarHBondContact O-N 2.82Å; V1166-L1170 VanDerWaalsContact O-N 3.16Å
1167	N	93	Very high	90.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-49.8	170.4	-173.3	-11.5	0	0	0	110.9	L541 C542 L594 Y1042 T1163 S1164 C1165 L1169 L1170 L1171 W1206	L541-N1167 VanDerWaalsContact CD1-OD1 3.3Å; L541-N1167 WeakPolarHBondContact CD1-OD1 3.47Å; C542-N1167 PolarHBondContact N-ND2 3Å; C542-N1167 PolarHBondContact O-ND2 2.96Å; C542-N1167 PolarHBondContact O-OD1 3.41Å; L594-N1167 HydrophobicContact CD1-CB 4.33Å; L594-N1167 HydrophobicContact CD2-CB 3.69Å; Y1042-N1167 PolarHBondContact OH-ND2 3.31Å; T1163-N1167 WeakPolarHBondContact O-CB 3.37Å; T1163-N1167 PolarHBondContact O-N 3.42Å; S1164-N1167 PolarHBondContact O-N 2.87Å; C1165-N1167 VanDerWaalsContact C-N 3.34Å; C1165-N1167 PolarHBondContact O-N 2.95Å; N1167-L1169 VanDerWaalsContact C-N 3.27Å; N1167-L1169 PolarHBondContact O-N 3.04Å; N1167-L1170 WeakPolarHBondContact O-CB 3.33Å; N1167-L1170 PolarHBondContact O-N 3.07Å; N1167-L1171 PolarHBondContact O-N 3.39Å; N1167-W1206 HydrophobicContact CB-CH2 3.95Å
1168	A	94.3	Very high	90.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-34.7	175	0	0	0	0	0	113.9	A1131 T1134 S1164 C1165 L1170 W1206	A1131-A1168 HydrophobicContact CB-CB 4Å; A1131-A1168 VanDerWaalsContact O-CB 3.27Å; A1131-A1168 WeakPolarHBondContact O-CB 3.37Å; T1134-A1168 HydrophobicContact CG2-CB 4.1Å; S1164-A1168 PolarHBondContact O-N 3.45Å; C1165-A1168 PolarHBondContact O-N 3.32Å; A1168-L1170 VanDerWaalsContact C-N 3.3Å; A1168-L1170 PolarHBondContact O-N 3.04Å; A1168-W1206 HydrophobicContact CB-CZ2 4.42Å
1169	L	94.6	Very high	90.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-29.5	173.6	-70	174.7	0	0	0	113.2	T498 R720 N721 F723 T1134 M1138 I1145 L1147 C1165 V1166 N1167	T498-L1169 HydrophobicContact CG2-CB 3.76Å; T498-L1169 HydrophobicContact CG2-CD1 4.21Å; T498-L1169 PolarHBondContact OG1-O 2.89Å; R720-L1169 PolarHBondContact NH2-O 3.11Å; N721-L1169 HydrophobicContact CB-CD2 3.96Å; N721-L1169 WeakPolarHBondContact ND2-CD2 3.15Å; N721-L1169 PolarHBondContact ND2-O 3.44Å; F723-L1169 HydrophobicContact CB-CD1 4.01Å; F723-L1169 HydrophobicContact CD2-CD1 4.22Å; T1134-L1169 HydrophobicContact CG2-CD2 3.63Å; T1134-L1169 HydrophobicContact CG2-CG 3.87Å; M1138-L1169 HydrophobicContact SD-CD2 4.11Å; I1145-L1169 HydrophobicContact CD1-CD2 3.64Å; I1145-L1169 HydrophobicContact CG1-CD2 3.77Å; L1147-L1169 HydrophobicContact CD1-CD1 4.42Å; L1147-L1169 HydrophobicContact CD1-CD2 4.04Å; C1165-L1169 WeakPolarHBondContact O-CG 3.48Å; C1165-L1169 PolarHBondContact O-N 2.67Å; V1166-L1169 PolarHBondContact O-N 3.49Å; N1167-L1169 VanDerWaalsContact C-N 3.27Å; N1167-L1169 PolarHBondContact O-N 3.04Å
1170	L	89.5	Confident	90	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-80.3	-29.2	179.9	-73.8	169.8	0	0	0	113.2	L541 L594 F597 R720 V1166 N1167 A1168	L541-L1170 HydrophobicContact CD1-CB 4.1Å; L541-L1170 HydrophobicContact CD1-CD1 4.06Å; L594-L1170 HydrophobicContact CB-CD1 4.45Å; L594-L1170 HydrophobicContact CD2-CD1 3.75Å; F597-L1170 HydrophobicContact CB-CD1 3.89Å; F597-L1170 HydrophobicContact CB-CD2 3.54Å; F597-L1170 HydrophobicContact CB-CG 4.36Å; F597-L1170 WeakPolarHBondContact O-CD2 3.44Å; R720-L1170 VanDerWaalsContact NH2-CA 3.29Å; R720-L1170 PolarHBondContact NH2-O 3.32Å; V1166-L1170 HydrophobicContact CG1-CD1 4.4Å; V1166-L1170 WeakPolarHBondContact O-CG 3.42Å; V1166-L1170 PolarHBondContact O-N 2.82Å; V1166-L1170 VanDerWaalsContact O-N 3.16Å; N1167-L1170 WeakPolarHBondContact O-CB 3.33Å; N1167-L1170 PolarHBondContact O-N 3.07Å; A1168-L1170 VanDerWaalsContact C-N 3.3Å; A1168-L1170 PolarHBondContact O-N 3.04Å
1171	L	87.4	Confident	89.7	Confident	3 Å²	3	23.3 Å²	23.3	2%	0.016	13%	0.125	C	C	.	.	S	Bend	trans	-64.5	159.9	174.8	-65.6	179.1	0	0	0	112.9	I543 P544 M547 M1138 N1167 W1206	I543-L1171 HydrophobicContact CG2-CD2 4.17Å; P544-L1171 HydrophobicContact CG-CD1 3.8Å; M547-L1171 HydrophobicContact SD-CB 4.3Å; M547-L1171 HydrophobicContact SD-CD1 4.14Å; M547-L1171 HydrophobicContact SD-CD2 4.32Å; M547-L1171 HydrophobicContact SD-CG 4.49Å; M1138-L1171 WeakPolarHBondContact CE-O 3.45Å; N1167-L1171 PolarHBondContact O-N 3.39Å; L1171-W1206 HydrophobicContact CD1-CZ2 4.01Å
1172	P	84	Confident	89.4	Confident	22 Å²	22	23.8 Å²	23.8	14%	0.143	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-66.6	138.9	170.8	27	-32.8	0	0	0	110.7	M547 Y550 H1135	M547-P1172 HydrophobicContact SD-CG 4.11Å; Y550-P1172 HydrophobicContact CD1-CB 4.47Å; Y550-P1172 HydrophobicContact CD1-CG 3.97Å; Y550-P1172 HydrophobicContact CD2-CB 3.85Å; Y550-P1172 HydrophobicContact CD2-CG 3.86Å; Y550-P1172 HydrophobicContact CE1-CB 4.27Å; Y550-P1172 HydrophobicContact CE1-CG 4.19Å; Y550-P1172 HydrophobicContact CE2-CB 3.62Å; Y550-P1172 HydrophobicContact CE2-CG 4.09Å; Y550-P1172 HydrophobicContact CG-CB 4.27Å; Y550-P1172 HydrophobicContact CG-CG 3.79Å; H1135-P1172 PolarHBondContact NE2-O 3.46Å
1173	A	84.5	Confident	88.8	Confident	24 Å²	24	26 Å²	26	20%	0.198	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-64.5	151.8	166.4	0	0	0	0	0	111.1	M1138 S1143 Q1175	M1138-A1173 HydrophobicContact CB-CB 3.79Å; M1138-A1173 HydrophobicContact CE-CB 4.12Å; S1143-A1173 WeakPolarHBondContact OG-CB 3.3Å; A1173-Q1175 PolarHBondContact O-N 3.41Å
1174	S	78.9	Confident	87.8	Confident	13 Å²	13	30.3 Å²	30.3	9%	0.091	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-57.4	137.3	173.9	179.3	0	0	0	0	111.6	S1176 E1198	S1174-S1176 PolarHBondContact OG-N 2.68Å; S1174-S1176 PolarHBondContact OG-O 2.98Å; S1174-E1198 VanDerWaalsContact CA-OE1 3.31Å; S1174-E1198 WeakPolarHBondContact CA-OE1 3.36Å; S1174-E1198 VanDerWaalsContact CA-OE2 3.23Å; S1174-E1198 WeakPolarHBondContact CA-OE2 3.44Å; S1174-E1198 VanDerWaalsContact CB-CD 3.47Å; S1174-E1198 VanDerWaalsContact CB-OE1 3.28Å; S1174-E1198 WeakPolarHBondContact CB-OE1 3.46Å; S1174-E1198 WeakPolarHBondContact CB-OE2 3.29Å; S1174-E1198 PolarHBondContact OG-OE2 3.23Å
1175	Q	73.7	Confident	86.2	Confident	177 Å²	177	36.4 Å²	36.4	83%	0.827	19%	0.19	S	C	*	.	S	Bend	trans	-87.1	-15.8	174.6	-60.4	-176.1	23.8	0	0	112.3	A1173	A1173-Q1175 PolarHBondContact O-N 3.41Å
1176	S	76.3	Confident	84.2	Confident	31 Å²	31	40.8 Å²	40.8	22%	0.217	21%	0.21	C	C	.	.	S	Bend	trans	-115.4	90.1	-173.6	-70.9	0	0	0	0	110.3	S1174 W1178 G1195	S1174-S1176 PolarHBondContact OG-N 2.68Å; S1174-S1176 PolarHBondContact OG-O 2.98Å; S1176-W1178 PolarHBondContact O-N 3.27Å; S1176-G1195 WeakPolarHBondContact O-CA 3.34Å
1177	H	83	Confident	82.3	Confident	80 Å²	80	42.3 Å²	42.3	37%	0.37	22%	0.22	S	C	.	.			trans	-52.3	108.1	-179.8	-55.5	-61.6	0	0	0	112.7	S1139 N1192	S1139-H1177 PolarHBondContact O-CE1 2.86Å; S1139-H1177 PolarHBondContact O-ND1 3.5Å; H1177-N1192 PolarHBondContact N-ND2 3.39Å; H1177-N1192 PolarHBondContact O-ND2 2.96Å
1178	W	90.1	Very high	80.1	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.015	25%	0.253	C	S	.	.			trans	-82.5	124.5	179.8	178.2	49.4	0	0	0	111.1	R1089 I1093 H1097 W1132 S1176 P1180 A1199 F1251 I1255 E1258	R1089-W1178 HydrophobicContact CB-CH2 4.31Å; R1089-W1178 HydrophobicContact CG-CH2 3.79Å; R1089-W1178 HydrophobicContact CG-CZ2 4.22Å; I1093-W1178 HydrophobicContact CD1-CE3 3.91Å; I1093-W1178 HydrophobicContact CD1-CZ3 3.73Å; I1093-W1178 WeakPolarHBondContact CG2-O 3.4Å; H1097-W1178 PolarHBondContact NE2-O 3.1Å; W1132-W1178 HydrophobicContact CH2-CZ3 4.19Å; W1132-W1178 HydrophobicContact CZ2-CZ3 4.16Å; S1176-W1178 PolarHBondContact O-N 3.27Å; W1178-P1180 HydrophobicContact CD2-CG 4.09Å; W1178-P1180 HydrophobicContact CE3-CG 4.21Å; W1178-P1180 HydrophobicContact CH2-CB 4.47Å; W1178-P1180 HydrophobicContact CH2-CG 3.84Å; W1178-P1180 HydrophobicContact CZ2-CB 4Å; W1178-P1180 HydrophobicContact CZ2-CG 3.68Å; W1178-P1180 HydrophobicContact CZ3-CG 4.1Å; W1178-A1199 HydrophobicContact CD2-CB 3.9Å; W1178-A1199 HydrophobicContact CE3-CB 3.64Å; W1178-A1199 HydrophobicContact CG-CB 4.3Å; W1178-A1199 HydrophobicContact CZ3-CB 4.14Å; W1178-F1251 AromaticContact CH2-CE2 3.58Å; W1178-F1251 HydrophobicContact CH2-CE2 3.58Å; W1178-F1251 HydrophobicContact CH2-CZ 4.05Å; W1178-F1251 AromaticContact CZ3-CE2 3.98Å; W1178-F1251 HydrophobicContact CZ3-CE2 3.98Å; W1178-F1251 HydrophobicContact CZ3-CZ 4.29Å; W1178-I1255 HydrophobicContact CH2-CD1 4.36Å; W1178-I1255 HydrophobicContact CZ2-CD1 3.68Å; W1178-E1258 PolarHBondContact NE1-OE2 3.35Å
1179	I	89.8	Confident	78.3	Confident	95 Å²	95	55.2 Å²	55.2	49%	0.487	28%	0.282	S	S	.	.			trans	-120.3	107.5	174.6	-58.8	179.9	0	0	0	107.4	H1097	H1097-I1179 HydrophobicContact CB-CD1 4.25Å; H1097-I1179 HydrophobicContact CB-CG1 4.31Å
1180	P	91.8	Very high	76.7	Confident	11 Å²	11	61.7 Å²	61.7	7%	0.071	33%	0.326	C	S	.	.			trans	-63.4	145.5	-173	-25.1	34.3	0	0	0	114.7	R1089 I1093 W1178 L1182 E1258	R1089-P1180 HydrophobicContact CG-CB 3.69Å; R1089-P1180 HydrophobicContact CG-CG 3.85Å; R1089-P1180 WeakPolarHBondContact O-CG 3.42Å; I1093-P1180 HydrophobicContact CG2-CG 4.35Å; W1178-P1180 HydrophobicContact CD2-CG 4.09Å; W1178-P1180 HydrophobicContact CE3-CG 4.21Å; W1178-P1180 HydrophobicContact CH2-CB 4.47Å; W1178-P1180 HydrophobicContact CH2-CG 3.84Å; W1178-P1180 HydrophobicContact CZ2-CB 4Å; W1178-P1180 HydrophobicContact CZ2-CG 3.68Å; W1178-P1180 HydrophobicContact CZ3-CG 4.1Å; P1180-L1182 HydrophobicContact CB-CD2 4.44Å; P1180-L1182 HydrophobicContact CB-CG 4.38Å; P1180-L1182 PolarHBondContact O-N 2.78Å; P1180-E1258 WeakPolarHBondContact CA-OE1 3.37Å
1181	V	90.5	Very high	76.1	Confident	17 Å²	17	62.8 Å²	62.8	10%	0.103	33%	0.332	C	S	.	.			trans	-86.9	92.6	-179.9	-177.8	0	0	0	0	111.2	V1191 N1246 M1257 E1258 L1261	V1181-V1191 HydrophobicContact CG2-CG1 4.32Å; V1181-V1191 HydrophobicContact CG2-CG2 3.85Å; V1181-N1246 PolarHBondContact O-ND2 2.66Å; V1181-M1257 HydrophobicContact CB-CE 4.24Å; V1181-M1257 HydrophobicContact CG1-CE 4.45Å; V1181-M1257 WeakPolarHBondContact O-CE 3.14Å; V1181-E1258 HydrophobicContact CB-CG 3.89Å; V1181-E1258 HydrophobicContact CG2-CG 3.71Å; V1181-E1258 PolarHBondContact N-OE1 2.95Å; V1181-L1261 HydrophobicContact CG1-CD1 3.83Å
1182	L	91.3	Very high	75.9	Confident	10 Å²	10	65.1 Å²	65.1	5%	0.052	35%	0.345	C	S	.	.			trans	-96.6	-7.6	-174.6	-61.6	175	0	0	0	115.3	P1094 P1180 V1242 S1243	P1094-L1182 HydrophobicContact CG-CD1 3.74Å; P1180-L1182 HydrophobicContact CB-CD2 4.44Å; P1180-L1182 HydrophobicContact CB-CG 4.38Å; P1180-L1182 PolarHBondContact O-N 2.78Å; L1182-V1242 HydrophobicContact CB-CG1 4.19Å; L1182-V1242 HydrophobicContact CB-CG2 4.1Å; L1182-V1242 WeakPolarHBondContact O-CA 3.1Å; L1182-S1243 WeakPolarHBondContact O-CB 3.37Å; L1182-S1243 PolarHBondContact O-N 2.92Å
1183	N	85.6	Confident	76	Confident	45 Å²	45	65.3 Å²	65.3	24%	0.241	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-116.6	155.9	-179.3	70.9	71.8	0	0	0	112.4	E1185 Q1186 N1241	N1183-E1185 PolarHBondContact OD1-N 3.45Å; N1183-Q1186 WeakPolarHBondContact OD1-CA 3.46Å; N1183-Q1186 PolarHBondContact OD1-N 3.2Å; N1183-N1241 WeakPolarHBondContact CB-O 3.04Å
1184	N	75	Confident	76.1	Confident	95 Å²	95	68.8 Å²	68.8	51%	0.508	36%	0.36	S	S	.	.	S	Bend	trans	-94.7	-11	-179.7	-65.1	10.6	0	0	0	112.9	S1243 N1246	N1184-S1243 WeakPolarHBondContact OD1-CB 3.4Å; N1184-S1243 PolarHBondContact OD1-OG 3.09Å; N1184-N1246 PolarHBondContact OD1-ND2 2.89Å; N1184-N1246 PolarHBondContact OD1-OD1 2.96Å
1185	E	62.7	Low	76.6	Confident	137 Å²	137	68.2 Å²	68.2	64%	0.64	36%	0.356	S	S	*	.	S	Bend	trans	-100.7	-17.5	-166.9	-63.2	-176.9	150.4	0	0	114.2	N1183 N1241	N1183-E1185 PolarHBondContact OD1-N 3.45Å; E1185-N1241 PolarHBondContact OE2-ND2 2.73Å
1186	Q	57.2	Low	77.3	Confident	93 Å²	93	59.8 Å²	59.8	44%	0.435	32%	0.317	S	S	.	.			trans	-129.2	47.2	-179.9	-57.3	-170.8	6.6	0	0	114.6	N1183 N1188 K1189	N1183-Q1186 WeakPolarHBondContact OD1-CA 3.46Å; N1183-Q1186 PolarHBondContact OD1-N 3.2Å; Q1186-N1188 PolarHBondContact O-N 3.4Å; Q1186-K1189 HydrophobicContact CB-CD 4.48Å; Q1186-K1189 PolarHBondContact O-N 2.85Å
1187	P	54.8	Low	77.9	Confident	32 Å²	32	61 Å²	61	21%	0.208	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.1	173.4	28.9	-35.6	0	0	0	114.2	L1261 N1265	P1187-L1261 HydrophobicContact CB-CD1 3.85Å; P1187-L1261 HydrophobicContact CB-CD2 3.72Å; P1187-L1261 HydrophobicContact CB-CG 4.27Å; P1187-N1265 PolarHBondContact O-ND2 2.54Å
1188	N	47.2	Very low	78.1	Confident	130 Å²	130	59 Å²	59	70%	0.695	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.1	-178.7	-58.3	10.9	0	0	0	113	Q1186	Q1186-N1188 PolarHBondContact O-N 3.4Å
1189	K	57.1	Low	78.2	Confident	141 Å²	141	59 Å²	59	61%	0.613	31%	0.31	S	S	*	.	S	Bend	trans	-80.3	155.8	166.1	-83.3	176.5	171.4	167.6	0	110.1	Q1186 V1191	Q1186-K1189 HydrophobicContact CB-CD 4.48Å; Q1186-K1189 PolarHBondContact O-N 2.85Å; K1189-V1191 PolarHBondContact O-N 3.07Å
1190	C	60.9	Low	78.3	Confident	135 Å²	135	54.6 Å²	54.6	91%	0.912	29%	0.288	S	S	*	.			trans	-62.5	93.6	-172.4	-54.1	0	0	0	0	112.7	N1192	C1190-N1192 PolarHBondContact O-N 3.47Å
1191	V	76.5	Confident	78.2	Confident	23 Å²	23	57.4 Å²	57.4	14%	0.139	30%	0.3	C	S	.	.			trans	-62.7	117.7	167.4	-178.3	0	0	0	0	108.2	V1181 K1189 I1193 E1258 V1262	V1181-V1191 HydrophobicContact CG2-CG1 4.32Å; V1181-V1191 HydrophobicContact CG2-CG2 3.85Å; K1189-V1191 PolarHBondContact O-N 3.07Å; V1191-I1193 VanDerWaalsContact C-N 3.26Å; V1191-I1193 PolarHBondContact O-N 3.26Å; V1191-E1258 HydrophobicContact CG1-CB 3.98Å; V1191-E1258 HydrophobicContact CG1-CG 4.33Å; V1191-V1262 HydrophobicContact CB-CG2 3.72Å; V1191-V1262 HydrophobicContact CG1-CG2 3.91Å; V1191-V1262 HydrophobicContact CG2-CG2 4.36Å
1192	N	84.2	Confident	78.2	Confident	52 Å²	52	56.6 Å²	56.6	28%	0.278	30%	0.296	S	S	.	.			trans	-77.7	82	175.5	-172.3	-0.4	0	0	0	110	H1177 C1190 D1194 G1195 A1196	H1177-N1192 PolarHBondContact N-ND2 3.39Å; H1177-N1192 PolarHBondContact O-ND2 2.96Å; C1190-N1192 PolarHBondContact O-N 3.47Å; N1192-D1194 VanDerWaalsContact C-N 3.28Å; N1192-D1194 PolarHBondContact O-N 3.17Å; N1192-G1195 PolarHBondContact O-N 3.19Å; N1192-G1195 VanDerWaalsContact O-N 3.12Å; N1192-G1195 PolarHBondContact OD1-N 3.05Å; N1192-A1196 PolarHBondContact O-N 3.06Å
1193	I	86.1	Confident	78.3	Confident	26 Å²	26	56.1 Å²	56.1	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-32.4	-174	-164.1	56.4	0	0	0	113.1	V1191 G1195 A1196 Q1197 H1259 V1262	V1191-I1193 VanDerWaalsContact C-N 3.26Å; V1191-I1193 PolarHBondContact O-N 3.26Å; I1193-G1195 VanDerWaalsContact C-N 3.33Å; I1193-A1196 PolarHBondContact O-N 2.76Å; I1193-Q1197 WeakPolarHBondContact O-CB 3.25Å; I1193-Q1197 VanDerWaalsContact O-CG 3.29Å; I1193-Q1197 WeakPolarHBondContact O-CG 3.4Å; I1193-Q1197 PolarHBondContact O-N 3.28Å; I1193-H1259 HydrophobicContact CD1-CB 4.37Å; I1193-H1259 VanDerWaalsContact CD1-CD2 3.46Å; I1193-H1259 WeakPolarHBondContact CD1-CD2 3.37Å; I1193-V1262 HydrophobicContact CB-CG2 4.11Å; I1193-V1262 HydrophobicContact CD1-CG2 4.13Å; I1193-V1262 HydrophobicContact CG1-CG1 4.48Å; I1193-V1262 HydrophobicContact CG1-CG2 4.24Å
1194	D	85.7	Confident	78.6	Confident	98 Å²	98	55.5 Å²	55.5	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-70.5	-35.1	177.5	-58	-24.1	0	0	0	110.2	N1192 E1198	N1192-D1194 VanDerWaalsContact C-N 3.28Å; N1192-D1194 PolarHBondContact O-N 3.17Å; D1194-E1198 PolarHBondContact O-N 3.39Å
1195	G	88.3	Confident	79.3	Confident	1 Å²	1	54 Å²	54	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-68.9	-43.2	172.6	0	0	0	0	0	113.2	S1176 N1192 I1193 Q1197 E1198 A1199	S1176-G1195 WeakPolarHBondContact O-CA 3.34Å; N1192-G1195 PolarHBondContact O-N 3.19Å; N1192-G1195 VanDerWaalsContact O-N 3.12Å; N1192-G1195 PolarHBondContact OD1-N 3.05Å; I1193-G1195 VanDerWaalsContact C-N 3.33Å; G1195-Q1197 VanDerWaalsContact C-N 3.32Å; G1195-Q1197 PolarHBondContact O-N 3.03Å; G1195-E1198 PolarHBondContact O-N 3.15Å; G1195-A1199 WeakPolarHBondContact O-CB 3.44Å; G1195-A1199 PolarHBondContact O-N 3.11Å
1196	A	90	Very high	80.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-42.1	174.3	0	0	0	0	0	111.5	N1192 I1193 W1200 I1255	N1192-A1196 PolarHBondContact O-N 3.06Å; I1193-A1196 PolarHBondContact O-N 2.76Å; A1196-W1200 WeakPolarHBondContact O-CB 3.17Å; A1196-W1200 PolarHBondContact O-N 3.11Å; A1196-I1255 HydrophobicContact CB-CD1 4.06Å
1197	Q	88.5	Confident	82.4	Confident	56 Å²	56	44.5 Å²	44.5	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-44.3	174	-76.1	175.2	43.6	0	0	112.4	I1193 G1195 W1200 M1201 H1259 L1314	I1193-Q1197 WeakPolarHBondContact O-CB 3.25Å; I1193-Q1197 VanDerWaalsContact O-CG 3.29Å; I1193-Q1197 WeakPolarHBondContact O-CG 3.4Å; I1193-Q1197 PolarHBondContact O-N 3.28Å; G1195-Q1197 VanDerWaalsContact C-N 3.32Å; G1195-Q1197 PolarHBondContact O-N 3.03Å; Q1197-W1200 PolarHBondContact O-N 3.48Å; Q1197-M1201 WeakPolarHBondContact O-CB 3.49Å; Q1197-M1201 VanDerWaalsContact O-CG 3.31Å; Q1197-M1201 WeakPolarHBondContact O-CG 3.37Å; Q1197-M1201 PolarHBondContact O-N 3.02Å; Q1197-H1259 VanDerWaalsContact CG-NE2 3.33Å; Q1197-H1259 WeakPolarHBondContact CG-NE2 3.25Å; Q1197-H1259 PolarHBondContact NE2-CE1 2.91Å; Q1197-L1314 HydrophobicContact CG-CD2 4.38Å
1198	E	87.2	Confident	84.1	Confident	39 Å²	39	45.5 Å²	45.5	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-42.7	178.7	-150.9	-156.9	127.5	0	0	111.6	H1135 S1174 D1194 G1195 W1200 M1201 N1202	H1135-E1198 IonicContact CE1-OE1 3.72Å; H1135-E1198 PolarHBondContact CE1-OE1 3.3Å; S1174-E1198 VanDerWaalsContact CA-OE1 3.31Å; S1174-E1198 WeakPolarHBondContact CA-OE1 3.36Å; S1174-E1198 VanDerWaalsContact CA-OE2 3.23Å; S1174-E1198 WeakPolarHBondContact CA-OE2 3.44Å; S1174-E1198 VanDerWaalsContact CB-CD 3.47Å; S1174-E1198 VanDerWaalsContact CB-OE1 3.28Å; S1174-E1198 WeakPolarHBondContact CB-OE1 3.46Å; S1174-E1198 WeakPolarHBondContact CB-OE2 3.29Å; S1174-E1198 PolarHBondContact OG-OE2 3.23Å; D1194-E1198 PolarHBondContact O-N 3.39Å; G1195-E1198 PolarHBondContact O-N 3.15Å; E1198-W1200 VanDerWaalsContact C-N 3.27Å; E1198-W1200 PolarHBondContact O-N 3.19Å; E1198-M1201 PolarHBondContact O-N 3.1Å; E1198-N1202 VanDerWaalsContact O-CB 3.32Å; E1198-N1202 WeakPolarHBondContact O-CB 3.22Å; E1198-N1202 PolarHBondContact O-N 3.1Å; E1198-N1202 PolarHBondContact O-ND2 3.11Å; E1198-N1202 PolarHBondContact OE1-ND2 3.04Å; E1198-N1202 VanDerWaalsContact OE1-ND2 3.13Å
1199	A	91.4	Very high	86.3	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-39.2	174.7	0	0	0	0	0	112.1	W1132 W1178 G1195 A1203	W1132-A1199 PolarHBondContact NE1-O 3.09Å; W1178-A1199 HydrophobicContact CD2-CB 3.9Å; W1178-A1199 HydrophobicContact CE3-CB 3.64Å; W1178-A1199 HydrophobicContact CG-CB 4.3Å; W1178-A1199 HydrophobicContact CZ3-CB 4.14Å; G1195-A1199 WeakPolarHBondContact O-CB 3.44Å; G1195-A1199 PolarHBondContact O-N 3.11Å; A1199-A1203 VanDerWaalsContact O-CB 3.3Å; A1199-A1203 WeakPolarHBondContact O-CB 3.36Å; A1199-A1203 PolarHBondContact O-N 2.86Å
1200	W	92.8	Very high	87.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-50	172.8	175.4	-102.6	0	0	0	113.5	A1196 Q1197 E1198 N1202 A1203 V1204 L1212 F1251 S1252 I1255 M1318	A1196-W1200 WeakPolarHBondContact O-CB 3.17Å; A1196-W1200 PolarHBondContact O-N 3.11Å; Q1197-W1200 PolarHBondContact O-N 3.48Å; E1198-W1200 VanDerWaalsContact C-N 3.27Å; E1198-W1200 PolarHBondContact O-N 3.19Å; W1200-N1202 VanDerWaalsContact C-N 3.26Å; W1200-N1202 PolarHBondContact O-N 3.14Å; W1200-A1203 WeakPolarHBondContact O-CB 3.41Å; W1200-A1203 PolarHBondContact O-N 3.05Å; W1200-V1204 HydrophobicContact CD2-CG2 3.94Å; W1200-V1204 VanDerWaalsContact CE2-CG2 3.46Å; W1200-V1204 HydrophobicContact CE3-CG2 4.42Å; W1200-V1204 HydrophobicContact CG-CG2 4.45Å; W1200-V1204 HydrophobicContact CH2-CG2 4.09Å; W1200-V1204 HydrophobicContact CZ2-CG2 3.56Å; W1200-V1204 HydrophobicContact CZ3-CG2 4.48Å; W1200-V1204 WeakPolarHBondContact O-CG2 3.2Å; W1200-V1204 PolarHBondContact O-N 3.4Å; W1200-L1212 HydrophobicContact CH2-CB 4.42Å; W1200-L1212 HydrophobicContact CZ3-CB 4.23Å; W1200-L1212 HydrophobicContact CZ3-CD1 4.42Å; W1200-F1251 AromaticContact CE3-CD1 3.73Å; W1200-F1251 HydrophobicContact CE3-CD1 3.73Å; W1200-F1251 AromaticContact CE3-CE1 3.86Å; W1200-F1251 HydrophobicContact CE3-CE1 3.86Å; W1200-F1251 AromaticContact CZ3-CD1 3.96Å; W1200-F1251 HydrophobicContact CZ3-CD1 3.96Å; W1200-S1252 WeakPolarHBondContact CH2-OG 3.38Å; W1200-I1255 HydrophobicContact CB-CG1 4.32Å; W1200-I1255 HydrophobicContact CB-CG2 4.05Å; W1200-I1255 HydrophobicContact CD2-CG2 4.47Å; W1200-I1255 HydrophobicContact CE3-CB 4.4Å; W1200-I1255 HydrophobicContact CE3-CG1 4.17Å; W1200-I1255 HydrophobicContact CG-CG2 4.26Å; W1200-M1318 HydrophobicContact CD2-CE 3.85Å; W1200-M1318 HydrophobicContact CE3-CE 4.35Å; W1200-M1318 HydrophobicContact CG-CE 4.4Å; W1200-M1318 HydrophobicContact CH2-CE 4.05Å; W1200-M1318 HydrophobicContact CH2-SD 4.26Å; W1200-M1318 HydrophobicContact CZ2-CE 3.49Å; W1200-M1318 VanDerWaalsContact CZ2-CE 3.49Å; W1200-M1318 HydrophobicContact CZ2-SD 3.65Å; W1200-M1318 HydrophobicContact CZ3-CE 4.44Å
1201	M	90.1	Very high	89.5	Confident	69 Å²	69	34 Å²	34	34%	0.34	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-34.3	179.7	-69.7	-59.9	-60.3	0	0	112.1	H546 Q1197 E1198 Y1205	H546-M1201 HydrophobicContact CB-CE 4.17Å; H546-M1201 PolarHBondContact CE1-O 3.49Å; H546-M1201 VanDerWaalsContact CE1-O 3.3Å; Q1197-M1201 WeakPolarHBondContact O-CB 3.49Å; Q1197-M1201 VanDerWaalsContact O-CG 3.31Å; Q1197-M1201 WeakPolarHBondContact O-CG 3.37Å; Q1197-M1201 PolarHBondContact O-N 3.02Å; E1198-M1201 PolarHBondContact O-N 3.1Å; M1201-Y1205 PolarHBondContact O-N 2.85Å
1202	N	89	Confident	90.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-69.7	-39.8	171.8	-64.9	-21.7	0	0	0	111.2	H546 M547 H1135 E1198 W1200 Y1205 W1206	H546-N1202 PolarHBondContact CE1-OD1 3.4Å; H546-N1202 PolarHBondContact NE2-OD1 3.08Å; M547-N1202 WeakPolarHBondContact CE-OD1 3.19Å; H1135-N1202 PolarHBondContact CE1-ND2 3.44Å; H1135-N1202 PolarHBondContact ND1-ND2 3.2Å; H1135-N1202 VanDerWaalsContact ND1-ND2 3.18Å; E1198-N1202 VanDerWaalsContact O-CB 3.32Å; E1198-N1202 WeakPolarHBondContact O-CB 3.22Å; E1198-N1202 PolarHBondContact O-N 3.1Å; E1198-N1202 PolarHBondContact O-ND2 3.11Å; E1198-N1202 PolarHBondContact OE1-ND2 3.04Å; E1198-N1202 VanDerWaalsContact OE1-ND2 3.13Å; W1200-N1202 VanDerWaalsContact C-N 3.26Å; W1200-N1202 PolarHBondContact O-N 3.14Å; N1202-Y1205 PolarHBondContact O-N 3.5Å; N1202-W1206 PolarHBondContact O-N 3.48Å
1203	A	93.4	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-48.3	177.1	0	0	0	0	0	111.9	A1199 W1200 Y1205 W1206 I1207 L1212 F1251	A1199-A1203 VanDerWaalsContact O-CB 3.3Å; A1199-A1203 WeakPolarHBondContact O-CB 3.36Å; A1199-A1203 PolarHBondContact O-N 2.86Å; W1200-A1203 WeakPolarHBondContact O-CB 3.41Å; W1200-A1203 PolarHBondContact O-N 3.05Å; A1203-Y1205 PolarHBondContact O-N 2.87Å; A1203-W1206 PolarHBondContact O-N 2.86Å; A1203-I1207 HydrophobicContact CB-CD1 4.3Å; A1203-I1207 WeakPolarHBondContact O-CB 3.31Å; A1203-I1207 PolarHBondContact O-N 2.92Å; A1203-L1212 HydrophobicContact CB-CD1 4.24Å; A1203-L1212 HydrophobicContact CB-CD2 3.89Å; A1203-F1251 HydrophobicContact CB-CD1 4.15Å; A1203-F1251 HydrophobicContact CB-CE1 3.56Å; A1203-F1251 HydrophobicContact CB-CZ 4.18Å
1204	V	92.5	Very high	91.2	Very high	31 Å²	31	34.4 Å²	34.4	19%	0.188	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-23.6	179.7	172.8	0	0	0	0	113.1	W1200 L1212	W1200-V1204 HydrophobicContact CD2-CG2 3.94Å; W1200-V1204 VanDerWaalsContact CE2-CG2 3.46Å; W1200-V1204 HydrophobicContact CE3-CG2 4.42Å; W1200-V1204 HydrophobicContact CG-CG2 4.45Å; W1200-V1204 HydrophobicContact CH2-CG2 4.09Å; W1200-V1204 HydrophobicContact CZ2-CG2 3.56Å; W1200-V1204 HydrophobicContact CZ3-CG2 4.48Å; W1200-V1204 WeakPolarHBondContact O-CG2 3.2Å; W1200-V1204 PolarHBondContact O-N 3.4Å; V1204-L1212 HydrophobicContact CB-CD1 4.38Å; V1204-L1212 HydrophobicContact CG2-CD1 3.75Å
1205	Y	90.6	Very high	91.6	Very high	64 Å²	64	32.1 Å²	32.1	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-79.1	-39.2	174.4	-178.7	-97.8	0	0	0	113.1	C542 P544 M1201 N1202 A1203	C542-Y1205 PolarHBondContact O-OH 3.03Å; P544-Y1205 HydrophobicContact CB-CD1 4.16Å; P544-Y1205 HydrophobicContact CB-CD2 3.96Å; P544-Y1205 HydrophobicContact CB-CE1 4.4Å; P544-Y1205 HydrophobicContact CB-CE2 4.22Å; P544-Y1205 HydrophobicContact CB-CG 3.91Å; P544-Y1205 HydrophobicContact CG-CD1 3.73Å; P544-Y1205 HydrophobicContact CG-CD2 4.39Å; P544-Y1205 HydrophobicContact CG-CE1 3.81Å; P544-Y1205 HydrophobicContact CG-CE2 4.47Å; P544-Y1205 HydrophobicContact CG-CG 4.01Å; M1201-Y1205 PolarHBondContact O-N 2.85Å; N1202-Y1205 PolarHBondContact O-N 3.5Å; A1203-Y1205 PolarHBondContact O-N 2.87Å
1206	W	90.8	Very high	91.9	Very high	24 Å²	24	32.5 Å²	32.5	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-96.7	-34.9	-172	-72.2	117	0	0	0	114.5	Y1042 G1128 A1131 W1132 N1167 A1168 L1171 N1202 A1203	Y1042-W1206 HydrophobicContact CE2-CZ3 4.16Å; G1128-W1206 WeakPolarHBondContact CA-O 3.45Å; G1128-W1206 WeakPolarHBondContact O-CB 3.4Å; A1131-W1206 HydrophobicContact CB-CD2 3.8Å; A1131-W1206 HydrophobicContact CB-CE3 3.85Å; A1131-W1206 HydrophobicContact CB-CG 4.33Å; A1131-W1206 HydrophobicContact CB-CH2 4.3Å; A1131-W1206 HydrophobicContact CB-CZ2 4.25Å; A1131-W1206 HydrophobicContact CB-CZ3 4.11Å; W1132-W1206 HydrophobicContact CB-CB 4.47Å; N1167-W1206 HydrophobicContact CB-CH2 3.95Å; A1168-W1206 HydrophobicContact CB-CZ2 4.42Å; L1171-W1206 HydrophobicContact CD1-CZ2 4.01Å; N1202-W1206 PolarHBondContact O-N 3.48Å; A1203-W1206 PolarHBondContact O-N 2.86Å
1207	I	94.2	Very high	91.9	Very high	7 Å²	7	36 Å²	36	4%	0.036	18%	0.184	C	C	.	.	S	Bend	trans	-110.4	137.4	-164.5	-60.3	167.7	0	0	0	109.7	D1081 L1085 L1129 W1132 A1203 N1209 E1211 L1212	D1081-I1207 HydrophobicContact CB-CG2 4.05Å; L1085-I1207 HydrophobicContact CD1-CD1 4.16Å; L1085-I1207 HydrophobicContact CD1-CG2 4.38Å; L1085-I1207 HydrophobicContact CD2-CD1 3.86Å; L1085-I1207 HydrophobicContact CG-CD1 4.33Å; L1129-I1207 HydrophobicContact CB-CG1 4.43Å; L1129-I1207 HydrophobicContact CD1-CD1 3.59Å; L1129-I1207 HydrophobicContact CD1-CG1 4.36Å; W1132-I1207 HydrophobicContact CB-CD1 3.92Å; W1132-I1207 HydrophobicContact CB-CG1 4.43Å; W1132-I1207 HydrophobicContact CD2-CD1 4.24Å; W1132-I1207 HydrophobicContact CG-CD1 3.91Å; A1203-I1207 HydrophobicContact CB-CD1 4.3Å; A1203-I1207 WeakPolarHBondContact O-CB 3.31Å; A1203-I1207 PolarHBondContact O-N 2.92Å; I1207-N1209 PolarHBondContact O-N 2.4Å; I1207-E1211 HydrophobicContact CG2-CB 4.27Å; I1207-L1212 HydrophobicContact CB-CD2 3.94Å; I1207-L1212 HydrophobicContact CB-CG 4.35Å; I1207-L1212 HydrophobicContact CD1-CD2 4.26Å; I1207-L1212 HydrophobicContact CG2-CD2 3.66Å; I1207-L1212 HydrophobicContact CG2-CG 4.05Å
1208	P	91	Very high	91.9	Very high	53 Å²	53	35.3 Å²	35.3	34%	0.344	18%	0.184	S	C	.	.			trans	-55.3	127.9	175.9	-26.2	35.4	0	0	0	112.4	S1210 E1211 L1212	P1208-S1210 PolarHBondContact O-N 2.92Å; P1208-E1211 PolarHBondContact O-N 3.48Å; P1208-L1212 PolarHBondContact O-N 3.17Å
1209	N	91.4	Very high	91.9	Very high	61 Å²	61	34.9 Å²	34.9	33%	0.326	18%	0.183	S	C	.	.	H	α-helix	trans	-52	-30.4	178.8	-75.6	-37.9	0	0	0	113.1	I1207 E1211 L1212 I1213	I1207-N1209 PolarHBondContact O-N 2.4Å; N1209-E1211 PolarHBondContact O-N 3.46Å; N1209-L1212 PolarHBondContact O-N 2.83Å; N1209-I1213 WeakPolarHBondContact O-CG1 3.32Å; N1209-I1213 PolarHBondContact O-N 2.98Å
1210	S	92.1	Very high	92	Very high	75 Å²	75	34.8 Å²	34.8	52%	0.524	18%	0.182	S	C	.	.	H	α-helix	trans	-61.1	-26.7	175.7	53.9	0	0	0	0	114.4	P1208 R1214	P1208-S1210 PolarHBondContact O-N 2.92Å; S1210-R1214 WeakPolarHBondContact O-CB 3.4Å
1211	E	94.8	Very high	92	Very high	27 Å²	27	34.8 Å²	34.8	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-90	-31.9	174	-69.5	-65.9	99.5	0	0	111.8	S1080 D1081 A1082 I1207 P1208 N1209 I1213 R1214	S1080-E1211 WeakPolarHBondContact CB-OE2 3.3Å; S1080-E1211 PolarHBondContact OG-OE2 3.39Å; D1081-E1211 HydrophobicContact CB-CB 3.92Å; D1081-E1211 HydrophobicContact CB-CG 4Å; D1081-E1211 PolarHBondContact N-OE2 3.15Å; D1081-E1211 VanDerWaalsContact N-OE2 3.15Å; A1082-E1211 PolarHBondContact N-OE2 3.1Å; A1082-E1211 VanDerWaalsContact N-OE2 3.12Å; I1207-E1211 HydrophobicContact CG2-CB 4.27Å; P1208-E1211 PolarHBondContact O-N 3.48Å; N1209-E1211 PolarHBondContact O-N 3.46Å; E1211-I1213 VanDerWaalsContact C-N 3.34Å; E1211-I1213 PolarHBondContact O-N 3.18Å; E1211-R1214 PolarHBondContact O-N 2.99Å; E1211-R1214 IonicContact OE1-CZ 2.67Å; E1211-R1214 IonicContact OE1-NE 3.61Å; E1211-R1214 PolarHBondContact OE1-NE 3.09Å; E1211-R1214 IonicContact OE1-NH2 3.71Å; E1211-R1214 IonicContact OE2-CZ 2.76Å; E1211-R1214 IonicContact OE2-NE 3.46Å; E1211-R1214 PolarHBondContact OE2-NE 2.88Å; E1211-R1214 IonicContact OE2-NH2 3.12Å; E1211-R1214 PolarHBondContact OE2-NH2 3Å
1212	L	95.3	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-36.9	178.7	-60.8	-177.8	0	0	0	113	L1085 W1200 A1203 V1204 I1207 P1208 N1209 F1251 S1252	L1085-L1212 HydrophobicContact CD1-CD2 3.7Å; W1200-L1212 HydrophobicContact CH2-CB 4.42Å; W1200-L1212 HydrophobicContact CZ3-CB 4.23Å; W1200-L1212 HydrophobicContact CZ3-CD1 4.42Å; A1203-L1212 HydrophobicContact CB-CD1 4.24Å; A1203-L1212 HydrophobicContact CB-CD2 3.89Å; V1204-L1212 HydrophobicContact CB-CD1 4.38Å; V1204-L1212 HydrophobicContact CG2-CD1 3.75Å; I1207-L1212 HydrophobicContact CB-CD2 3.94Å; I1207-L1212 HydrophobicContact CB-CG 4.35Å; I1207-L1212 HydrophobicContact CD1-CD2 4.26Å; I1207-L1212 HydrophobicContact CG2-CD2 3.66Å; I1207-L1212 HydrophobicContact CG2-CG 4.05Å; P1208-L1212 PolarHBondContact O-N 3.17Å; N1209-L1212 PolarHBondContact O-N 2.83Å; L1212-F1251 HydrophobicContact CD2-CB 4.44Å; L1212-F1251 HydrophobicContact CD2-CD1 4.04Å; L1212-F1251 HydrophobicContact CD2-CG 4.44Å; L1212-F1251 PolarHBondContact O-N 3.09Å; L1212-S1252 WeakPolarHBondContact O-CB 3.48Å; L1212-S1252 PolarHBondContact O-N 3.34Å
1213	I	93.6	Very high	92.4	Very high	59 Å²	59	33.7 Å²	33.7	30%	0.303	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.9	176	68.2	-175.1	0	0	0	113.3	N1209 E1211 P1215 S1250	N1209-I1213 WeakPolarHBondContact O-CG1 3.32Å; N1209-I1213 PolarHBondContact O-N 2.98Å; E1211-I1213 VanDerWaalsContact C-N 3.34Å; E1211-I1213 PolarHBondContact O-N 3.18Å; I1213-P1215 WeakPolarHBondContact O-CD 3.41Å; I1213-S1250 VanDerWaalsContact C-CB 3.5Å; I1213-S1250 WeakPolarHBondContact O-CB 3.19Å
1214	R	93.3	Very high	92.5	Very high	52 Å²	52	33.7 Å²	33.7	20%	0.196	18%	0.179	C	C	.	.	S	Bend	trans	-86.7	127.6	-172.4	-171.2	178.9	68.1	75.5	-14.7	110.1	S1080 A1082 E1083 S1210 E1211 S1250	S1080-R1214 PolarHBondContact OG-NH2 3.38Å; A1082-R1214 HydrophobicContact CB-CB 4.33Å; A1082-R1214 VanDerWaalsContact CB-CZ 3.48Å; A1082-R1214 WeakPolarHBondContact CB-O 3.47Å; E1083-R1214 IonicContact OE1-CZ 3.76Å; E1083-R1214 IonicContact OE1-NH1 2.78Å; E1083-R1214 PolarHBondContact OE1-NH1 3.02Å; E1083-R1214 IonicContact OE1-NH2 3.81Å; E1083-R1214 PolarHBondContact OE1-NH2 3.27Å; E1083-R1214 IonicContact OE2-CZ 3.93Å; E1083-R1214 IonicContact OE2-NH1 2.83Å; E1083-R1214 IonicContact OE2-NH2 2.69Å; E1083-R1214 PolarHBondContact OE2-NH2 3.38Å; S1210-R1214 WeakPolarHBondContact O-CB 3.4Å; E1211-R1214 PolarHBondContact O-N 2.99Å; E1211-R1214 IonicContact OE1-CZ 2.67Å; E1211-R1214 IonicContact OE1-NE 3.61Å; E1211-R1214 PolarHBondContact OE1-NE 3.09Å; E1211-R1214 IonicContact OE1-NH2 3.71Å; E1211-R1214 IonicContact OE2-CZ 2.76Å; E1211-R1214 IonicContact OE2-NE 3.46Å; E1211-R1214 PolarHBondContact OE2-NE 2.88Å; E1211-R1214 IonicContact OE2-NH2 3.12Å; E1211-R1214 PolarHBondContact OE2-NH2 3Å; R1214-S1250 VanDerWaalsContact C-CB 3.42Å; R1214-S1250 VanDerWaalsContact O-CB 3.31Å; R1214-S1250 WeakPolarHBondContact O-CB 3.46Å
1215	P	94.2	Very high	92.7	Very high	50 Å²	50	32.4 Å²	32.4	33%	0.325	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-64.4	147.6	169.8	-23.9	35.3	0	0	0	111.3	I1213	I1213-P1215 WeakPolarHBondContact O-CD 3.41Å
1216	P	93.7	Very high	92.9	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.058	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-60.2	146.6	170.2	27.4	-35.6	0	0	0	110.9	E1083 A1086 V1221 M1249	E1083-P1216 HydrophobicContact CG-CB 4.21Å; E1083-P1216 WeakPolarHBondContact OE1-CA 3.4Å; A1086-P1216 HydrophobicContact CB-CB 3.8Å; A1086-P1216 HydrophobicContact CB-CG 3.82Å; P1216-V1221 HydrophobicContact CB-CG2 4.15Å; P1216-V1221 HydrophobicContact CG-CG2 3.73Å; P1216-M1249 WeakPolarHBondContact CD-O 3.42Å
1217	R	90	Very high	93.1	Very high	72 Å²	72	31.3 Å²	31.3	27%	0.272	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-55.7	141.1	176	-74.6	171.1	-149.6	-174	8	111.3	L1077 G1078 E1083 E1219 A1220 V1221	L1077-R1217 VanDerWaalsContact C-NH1 3.33Å; L1077-R1217 PolarHBondContact O-NH1 3.45Å; G1078-R1217 PolarHBondContact O-NH1 2.89Å; G1078-R1217 PolarHBondContact O-NH2 3.4Å; E1083-R1217 HydrophobicContact CG-CB 4.44Å; E1083-R1217 WeakPolarHBondContact OE1-CG 3.22Å; E1083-R1217 PolarHBondContact OE1-N 3.22Å; E1083-R1217 IonicContact OE1-NE 3.85Å; E1083-R1217 IonicContact OE2-NE 3.4Å; R1217-E1219 PolarHBondContact O-N 3.27Å; R1217-E1219 VanDerWaalsContact O-N 3.15Å; R1217-A1220 HydrophobicContact CB-CB 4.48Å; R1217-A1220 WeakPolarHBondContact O-CB 3.25Å; R1217-A1220 PolarHBondContact O-N 3.39Å; R1217-V1221 PolarHBondContact O-N 2.9Å
1218	P	89.5	Confident	93.1	Very high	42 Å²	42	31.1 Å²	31.1	27%	0.273	17%	0.173	S	C	.	.	H	α-helix	trans	-52.3	-36.8	178.2	-27.7	35.3	0	0	0	113.7	V1221 V1222	P1218-V1221 PolarHBondContact O-N 3.07Å; P1218-V1222 WeakPolarHBondContact O-CG2 3.35Å; P1218-V1222 PolarHBondContact O-N 2.86Å
1219	E	86.7	Confident	93.3	Very high	31 Å²	31	34.4 Å²	34.4	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-51.2	174.9	-62.7	68.4	-155.9	0	0	110.8	P886 Y895 I899 L1077 R1217 V1221 V1222 N1223	P886-E1219 HydrophobicContact CG-CG 3.84Å; Y895-E1219 WeakPolarHBondContact OH-CG 3.49Å; I899-E1219 WeakPolarHBondContact CD1-OE1 3.42Å; L1077-E1219 HydrophobicContact CD1-CB 3.92Å; L1077-E1219 HydrophobicContact CD1-CG 3.68Å; L1077-E1219 HydrophobicContact CD2-CB 4.28Å; R1217-E1219 PolarHBondContact O-N 3.27Å; R1217-E1219 VanDerWaalsContact O-N 3.15Å; E1219-V1221 PolarHBondContact O-N 3.34Å; E1219-V1222 PolarHBondContact O-N 3.1Å; E1219-N1223 PolarHBondContact O-N 2.61Å; E1219-N1223 PolarHBondContact O-ND2 2.67Å; E1219-N1223 PolarHBondContact O-OD1 2.95Å
1220	A	92.2	Very high	93.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-38.8	177.7	0	0	0	0	0	112.5	W883 E1083 R1217 V1222 N1223 L1224	W883-A1220 HydrophobicContact CE3-CB 4.17Å; W883-A1220 HydrophobicContact CH2-CB 4.33Å; W883-A1220 HydrophobicContact CZ3-CB 3.6Å; E1083-A1220 HydrophobicContact CB-CB 4.07Å; E1083-A1220 HydrophobicContact CG-CB 3.42Å; E1083-A1220 VanDerWaalsContact CG-CB 3.42Å; R1217-A1220 HydrophobicContact CB-CB 4.48Å; R1217-A1220 WeakPolarHBondContact O-CB 3.25Å; R1217-A1220 PolarHBondContact O-N 3.39Å; A1220-V1222 VanDerWaalsContact C-N 3.33Å; A1220-V1222 PolarHBondContact O-N 3.39Å; A1220-N1223 PolarHBondContact O-N 3.23Å; A1220-L1224 WeakPolarHBondContact O-CB 3.35Å; A1220-L1224 VanDerWaalsContact O-CG 3.28Å; A1220-L1224 WeakPolarHBondContact O-CG 3.31Å; A1220-L1224 PolarHBondContact O-N 2.83Å
1221	V	94.1	Very high	93.4	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-42.2	173.8	174.5	0	0	0	0	111.3	P1216 R1217 P1218 E1219 M1225 E1244 A1248	P1216-V1221 HydrophobicContact CB-CG2 4.15Å; P1216-V1221 HydrophobicContact CG-CG2 3.73Å; R1217-V1221 PolarHBondContact O-N 2.9Å; P1218-V1221 PolarHBondContact O-N 3.07Å; E1219-V1221 PolarHBondContact O-N 3.34Å; V1221-M1225 HydrophobicContact CG1-CG 4.35Å; V1221-M1225 WeakPolarHBondContact O-CB 3.45Å; V1221-M1225 WeakPolarHBondContact O-CG 3.23Å; V1221-M1225 PolarHBondContact O-N 3.01Å; V1221-E1244 HydrophobicContact CG1-CG 4.14Å; V1221-A1248 HydrophobicContact CG1-CB 3.92Å; V1221-A1248 HydrophobicContact CG2-CB 3.85Å
1222	V	92.5	Very high	93.2	Very high	33 Å²	33	30.8 Å²	30.8	20%	0.2	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-42	176.8	168.4	0	0	0	0	111	M898 P1218 E1219 A1220 T1226	M898-V1222 HydrophobicContact CE-CG2 3.77Å; P1218-V1222 WeakPolarHBondContact O-CG2 3.35Å; P1218-V1222 PolarHBondContact O-N 2.86Å; E1219-V1222 PolarHBondContact O-N 3.1Å; A1220-V1222 VanDerWaalsContact C-N 3.33Å; A1220-V1222 PolarHBondContact O-N 3.39Å; V1222-T1226 WeakPolarHBondContact O-CB 3.28Å; V1222-T1226 PolarHBondContact O-N 3.18Å; V1222-T1226 PolarHBondContact O-OG1 3.32Å
1223	N	94.1	Very high	93	Very high	14 Å²	14	39 Å²	39	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-50.3	178.3	-60.5	-18.4	0	0	0	110.9	W883 E884 E1219 A1220 M1225 T1226 T1227	W883-N1223 HydrophobicContact CE3-CB 4.09Å; W883-N1223 HydrophobicContact CZ3-CB 4.4Å; E884-N1223 PolarHBondContact N-ND2 2.95Å; E884-N1223 PolarHBondContact O-ND2 2.91Å; E1219-N1223 PolarHBondContact O-N 2.61Å; E1219-N1223 PolarHBondContact O-ND2 2.67Å; E1219-N1223 PolarHBondContact O-OD1 2.95Å; A1220-N1223 PolarHBondContact O-N 3.23Å; N1223-M1225 PolarHBondContact O-N 3.3Å; N1223-T1226 WeakPolarHBondContact O-CA 3.4Å; N1223-T1226 WeakPolarHBondContact O-CB 3.31Å; N1223-T1226 PolarHBondContact O-N 2.65Å; N1223-T1227 PolarHBondContact O-N 3.22Å; N1223-T1227 PolarHBondContact O-OG1 3.23Å
1224	L	96	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-48.8	175.6	-70.2	173.2	0	0	0	112.3	I881 W883 A1086 A1087 I1091 A1220 T1226 T1227 I1228 V1247	I881-L1224 HydrophobicContact CD1-CD2 4.37Å; I881-L1224 HydrophobicContact CG2-CD2 3.73Å; W883-L1224 HydrophobicContact CH2-CD1 4.25Å; W883-L1224 HydrophobicContact CH2-CD2 3.92Å; W883-L1224 HydrophobicContact CH2-CG 4.01Å; W883-L1224 HydrophobicContact CZ3-CD1 4.46Å; W883-L1224 HydrophobicContact CZ3-CD2 4.22Å; W883-L1224 HydrophobicContact CZ3-CG 3.96Å; A1086-L1224 HydrophobicContact CB-CD1 3.74Å; A1087-L1224 HydrophobicContact CB-CD2 3.72Å; I1091-L1224 HydrophobicContact CD1-CD2 3.63Å; I1091-L1224 HydrophobicContact CG1-CD2 4.22Å; A1220-L1224 WeakPolarHBondContact O-CB 3.35Å; A1220-L1224 VanDerWaalsContact O-CG 3.28Å; A1220-L1224 WeakPolarHBondContact O-CG 3.31Å; A1220-L1224 PolarHBondContact O-N 2.83Å; L1224-T1226 PolarHBondContact O-N 2.92Å; L1224-T1227 PolarHBondContact O-N 3.02Å; L1224-I1228 WeakPolarHBondContact O-CB 3.44Å; L1224-I1228 WeakPolarHBondContact O-CD1 3.47Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.41Å; L1224-I1228 PolarHBondContact O-N 2.84Å; L1224-V1247 HydrophobicContact CB-CG1 4.12Å; L1224-V1247 HydrophobicContact CD1-CG1 4.14Å
1225	M	96.2	Very high	92.3	Very high	4 Å²	4	37 Å²	37	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-25.5	177.4	-72.2	-55.7	-58.8	0	0	112.6	V1221 N1223 I1228 R1229 V1242 E1244 V1247	V1221-M1225 HydrophobicContact CG1-CG 4.35Å; V1221-M1225 WeakPolarHBondContact O-CB 3.45Å; V1221-M1225 WeakPolarHBondContact O-CG 3.23Å; V1221-M1225 PolarHBondContact O-N 3.01Å; N1223-M1225 PolarHBondContact O-N 3.3Å; M1225-I1228 HydrophobicContact SD-CD1 4.1Å; M1225-R1229 WeakPolarHBondContact O-CB 3.29Å; M1225-R1229 WeakPolarHBondContact O-CD 3.32Å; M1225-R1229 WeakPolarHBondContact O-CG 3.13Å; M1225-R1229 PolarHBondContact O-N 3.26Å; M1225-V1242 HydrophobicContact CE-CG1 4.43Å; M1225-V1242 HydrophobicContact SD-CG1 4.22Å; M1225-E1244 HydrophobicContact CE-CB 4.15Å; M1225-E1244 HydrophobicContact CG-CB 4.18Å; M1225-E1244 HydrophobicContact CG-CG 4.01Å; M1225-E1244 HydrophobicContact SD-CB 4.24Å; M1225-V1247 HydrophobicContact CG-CG1 4.47Å; M1225-V1247 HydrophobicContact SD-CB 4Å; M1225-V1247 HydrophobicContact SD-CG1 4.26Å; M1225-V1247 HydrophobicContact SD-CG2 3.71Å
1226	T	94.7	Very high	92.2	Very high	65 Å²	65	34.7 Å²	34.7	40%	0.399	18%	0.184	S	C	.	.	H	α-helix	trans	-72	-46	174.5	-60.2	0	0	0	0	111	V805 V1222 N1223 L1224 R1229 H1230	V805-T1226 HydrophobicContact CG1-CG2 4.3Å; V1222-T1226 WeakPolarHBondContact O-CB 3.28Å; V1222-T1226 PolarHBondContact O-N 3.18Å; V1222-T1226 PolarHBondContact O-OG1 3.32Å; N1223-T1226 WeakPolarHBondContact O-CA 3.4Å; N1223-T1226 WeakPolarHBondContact O-CB 3.31Å; N1223-T1226 PolarHBondContact O-N 2.65Å; L1224-T1226 PolarHBondContact O-N 2.92Å; T1226-R1229 PolarHBondContact O-N 2.81Å; T1226-H1230 WeakPolarHBondContact O-CB 3.4Å; T1226-H1230 PolarHBondContact O-N 3.29Å
1227	T	95.1	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-45.7	172.6	-57.1	0	0	0	0	111.7	I879 N880 I881 I1091 N1223 L1224 R1229 H1230 H1231	I879-T1227 HydrophobicContact CG2-CG2 3.95Å; N880-T1227 WeakPolarHBondContact O-CG2 3.17Å; N880-T1227 PolarHBondContact O-OG1 3.37Å; I881-T1227 HydrophobicContact CG1-CG2 4.45Å; I1091-T1227 HydrophobicContact CD1-CG2 3.81Å; N1223-T1227 PolarHBondContact O-N 3.22Å; N1223-T1227 PolarHBondContact O-OG1 3.23Å; L1224-T1227 PolarHBondContact O-N 3.02Å; T1227-R1229 PolarHBondContact O-N 2.82Å; T1227-H1230 WeakPolarHBondContact O-CB 3.04Å; T1227-H1230 PolarHBondContact O-N 3.49Å; T1227-H1231 PolarHBondContact O-CD2 3.41Å; T1227-H1231 VanDerWaalsContact O-CD2 3.32Å; T1227-H1231 PolarHBondContact O-N 2.82Å
1228	I	95.5	Very high	92.2	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-47.5	176.2	-68.4	162.7	0	0	0	111.1	I1091 L1224 M1225 H1230 H1231 A1232 F1239 V1242 V1247	I1091-I1228 HydrophobicContact CD1-CD1 4.3Å; I1091-I1228 HydrophobicContact CD1-CG1 3.9Å; I1091-I1228 HydrophobicContact CG1-CD1 4.01Å; I1091-I1228 HydrophobicContact CG1-CG1 3.79Å; L1224-I1228 WeakPolarHBondContact O-CB 3.44Å; L1224-I1228 WeakPolarHBondContact O-CD1 3.47Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.41Å; L1224-I1228 PolarHBondContact O-N 2.84Å; M1225-I1228 HydrophobicContact SD-CD1 4.1Å; I1228-H1230 VanDerWaalsContact C-N 3.26Å; I1228-H1230 PolarHBondContact O-N 2.83Å; I1228-H1231 PolarHBondContact O-N 2.79Å; I1228-A1232 VanDerWaalsContact O-CB 3.27Å; I1228-A1232 WeakPolarHBondContact O-CB 3.21Å; I1228-A1232 PolarHBondContact O-N 3.45Å; I1228-F1239 HydrophobicContact CB-CD1 4.33Å; I1228-F1239 HydrophobicContact CG1-CD1 3.94Å; I1228-F1239 HydrophobicContact CG1-CE1 4.12Å; I1228-F1239 HydrophobicContact CG2-CB 3.95Å; I1228-F1239 HydrophobicContact CG2-CD1 4.03Å; I1228-F1239 HydrophobicContact CG2-CG 4.18Å; I1228-V1242 HydrophobicContact CD1-CG1 4.27Å; I1228-V1242 HydrophobicContact CG2-CB 3.96Å; I1228-V1242 HydrophobicContact CG2-CG1 4.14Å; I1228-V1242 HydrophobicContact CG2-CG2 4.17Å; I1228-V1247 HydrophobicContact CD1-CG2 4.18Å
1229	R	94.3	Very high	92.5	Very high	122 Å²	122	37.6 Å²	37.6	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-68.5	-20.7	177.9	-72.3	165.3	-178.8	145.7	3.3	113.7	M1225 T1226 T1227 K1233 E1244	M1225-R1229 WeakPolarHBondContact O-CB 3.29Å; M1225-R1229 WeakPolarHBondContact O-CD 3.32Å; M1225-R1229 WeakPolarHBondContact O-CG 3.13Å; M1225-R1229 PolarHBondContact O-N 3.26Å; T1226-R1229 PolarHBondContact O-N 2.81Å; T1227-R1229 PolarHBondContact O-N 2.82Å; R1229-K1233 VanDerWaalsContact O-CE 3.23Å; R1229-K1233 WeakPolarHBondContact O-CE 3.4Å; R1229-E1244 IonicContact CZ-OE2 2.74Å; R1229-E1244 IonicContact NH1-OE2 3.77Å; R1229-E1244 PolarHBondContact NH1-OE2 3.44Å; R1229-E1244 IonicContact NH2-OE2 2.84Å; R1229-E1244 PolarHBondContact NH2-OE2 2.83Å
1230	H	92.4	Very high	92.6	Very high	47 Å²	47	39.9 Å²	39.9	22%	0.218	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-59.9	169.4	-172.9	100.9	0	0	0	110.1	V805 T1226 T1227 I1228 A1232 K1233	V805-H1230 HydrophobicContact CG1-CB 3.91Å; T1226-H1230 WeakPolarHBondContact O-CB 3.4Å; T1226-H1230 PolarHBondContact O-N 3.29Å; T1227-H1230 WeakPolarHBondContact O-CB 3.04Å; T1227-H1230 PolarHBondContact O-N 3.49Å; I1228-H1230 VanDerWaalsContact C-N 3.26Å; I1228-H1230 PolarHBondContact O-N 2.83Å; H1230-A1232 PolarHBondContact O-N 2.8Å; H1230-K1233 VanDerWaalsContact O-CB 3.29Å; H1230-K1233 WeakPolarHBondContact O-CB 3.3Å; H1230-K1233 PolarHBondContact O-N 2.8Å
1231	H	93	Very high	92.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.9	-17.9	-171.1	-70.2	-65.1	0	0	0	115.1	L878 T1227 I1228 K1233 T1234 F1239	L878-H1231 PolarHBondContact O-CE1 3.11Å; T1227-H1231 PolarHBondContact O-CD2 3.41Å; T1227-H1231 VanDerWaalsContact O-CD2 3.32Å; T1227-H1231 PolarHBondContact O-N 2.82Å; I1228-H1231 PolarHBondContact O-N 2.79Å; H1231-K1233 PolarHBondContact O-N 2.85Å; H1231-K1233 VanDerWaalsContact O-N 3.11Å; H1231-T1234 PolarHBondContact ND1-OG1 2.9Å; H1231-T1234 PolarHBondContact O-N 3.23Å; H1231-T1234 PolarHBondContact O-OG1 2.86Å; H1231-T1234 VanDerWaalsContact O-OG1 3.07Å; H1231-F1239 HydrophobicContact CB-CD2 3.48Å; H1231-F1239 VanDerWaalsContact CB-CD2 3.48Å; H1231-F1239 HydrophobicContact CB-CE2 3.49Å; H1231-F1239 VanDerWaalsContact CB-CE2 3.49Å
1232	A	91.9	Very high	92.4	Very high	40 Å²	40	45.7 Å²	45.7	33%	0.331	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.4	164.3	0	0	0	0	0	112.8	I1228 H1230 F1239	I1228-A1232 VanDerWaalsContact O-CB 3.27Å; I1228-A1232 WeakPolarHBondContact O-CB 3.21Å; I1228-A1232 PolarHBondContact O-N 3.45Å; H1230-A1232 PolarHBondContact O-N 2.8Å; A1232-F1239 HydrophobicContact CB-CB 3.81Å
1233	K	89.8	Confident	92.5	Very high	173 Å²	173	44.9 Å²	44.9	75%	0.752	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-16.8	176.7	-54.7	167.5	-175	165.2	0	113.2	R1229 H1230 H1231	R1229-K1233 VanDerWaalsContact O-CE 3.23Å; R1229-K1233 WeakPolarHBondContact O-CE 3.4Å; H1230-K1233 VanDerWaalsContact O-CB 3.29Å; H1230-K1233 WeakPolarHBondContact O-CB 3.3Å; H1230-K1233 PolarHBondContact O-N 2.8Å; H1231-K1233 PolarHBondContact O-N 2.85Å; H1231-K1233 VanDerWaalsContact O-N 3.11Å
1234	T	87.2	Confident	92.5	Very high	20 Å²	20	47 Å²	47	12%	0.123	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.7	-177.2	71.5	0	0	0	0	113	A876 H1231	A876-T1234 WeakPolarHBondContact CB-O 3.15Å; H1231-T1234 PolarHBondContact ND1-OG1 2.9Å; H1231-T1234 PolarHBondContact O-N 3.23Å; H1231-T1234 PolarHBondContact O-OG1 2.86Å; H1231-T1234 VanDerWaalsContact O-OG1 3.07Å
1235	G	84.9	Confident	92.4	Very high	49 Å²	49	52.5 Å²	52.5	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.8	-6.1	169.4	0	0	0	0	0	116.2	K1237	G1235-K1237 PolarHBondContact O-N 3.17Å
1236	W	92.5	Very high	92.3	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.277	C	S	.	.			trans	-68.9	114.5	178.5	-68.1	100.4	0	0	0	111.7	V786 M872 A876 I879 V1095 E1098 F1099 F1239	V786-W1236 HydrophobicContact CG1-CZ2 4.38Å; V786-W1236 HydrophobicContact CG2-CH2 4.39Å; V786-W1236 HydrophobicContact CG2-CZ2 4.39Å; M872-W1236 HydrophobicContact CE-CD2 3.76Å; M872-W1236 HydrophobicContact CE-CE3 3.97Å; M872-W1236 HydrophobicContact CE-CG 4.46Å; M872-W1236 HydrophobicContact CE-CH2 3.72Å; M872-W1236 HydrophobicContact CE-CZ2 3.51Å; M872-W1236 HydrophobicContact CE-CZ3 3.95Å; M872-W1236 HydrophobicContact SD-CH2 4.38Å; M872-W1236 HydrophobicContact SD-CZ2 4.09Å; A876-W1236 WeakPolarHBondContact O-CZ2 3.18Å; A876-W1236 PolarHBondContact O-NE1 3.41Å; I879-W1236 HydrophobicContact CD1-CZ2 3.82Å; V1095-W1236 HydrophobicContact CB-CZ3 4.36Å; V1095-W1236 HydrophobicContact CG1-CH2 3.76Å; V1095-W1236 HydrophobicContact CG1-CZ2 4.32Å; V1095-W1236 HydrophobicContact CG1-CZ3 3.93Å; V1095-W1236 HydrophobicContact CG2-CE3 4.32Å; V1095-W1236 HydrophobicContact CG2-CZ3 4.39Å; E1098-W1236 HydrophobicContact CB-CE3 4.17Å; E1098-W1236 HydrophobicContact CB-CZ3 4.13Å; E1098-W1236 HydrophobicContact CG-CE3 4.06Å; E1098-W1236 HydrophobicContact CG-CZ3 4.21Å; F1099-W1236 HydrophobicContact CB-CH2 3.94Å; F1099-W1236 HydrophobicContact CB-CZ3 4.05Å; F1099-W1236 HydrophobicContact CD2-CH2 4.43Å; F1099-W1236 HydrophobicContact CG-CH2 4.44Å; W1236-F1239 HydrophobicContact CB-CD2 3.48Å; W1236-F1239 VanDerWaalsContact CB-CD2 3.48Å; W1236-F1239 HydrophobicContact CB-CE2 3.84Å; W1236-F1239 HydrophobicContact CB-CG 4.29Å; W1236-F1239 HydrophobicContact CG-CD2 4.03Å; W1236-F1239 AromaticContact CG-CE2 3.92Å; W1236-F1239 HydrophobicContact CG-CE2 3.92Å; W1236-F1239 PolarHBondContact O-N 3.23Å
1237	K	92.1	Very high	92.3	Very high	147 Å²	147	49.5 Å²	49.5	64%	0.639	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-72.3	-30.8	-178.6	-62.7	163.2	-172.7	160.8	0	111.9	E1098 G1235 F1239 T1240	E1098-K1237 VanDerWaalsContact CD-N 3.3Å; E1098-K1237 VanDerWaalsContact OE1-CB 3.26Å; E1098-K1237 WeakPolarHBondContact OE1-CB 3.18Å; E1098-K1237 WeakPolarHBondContact OE1-CG 3.31Å; E1098-K1237 PolarHBondContact OE1-N 2.87Å; E1098-K1237 PolarHBondContact OE2-N 2.83Å; G1235-K1237 PolarHBondContact O-N 3.17Å; K1237-F1239 PolarHBondContact O-N 2.96Å; K1237-T1240 WeakPolarHBondContact O-CB 3.45Å; K1237-T1240 PolarHBondContact O-N 2.95Å; K1237-T1240 PolarHBondContact O-OG1 3.32Å
1238	C	92.4	Very high	92.4	Very high	30 Å²	30	50 Å²	50	20%	0.203	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.3	175.9	57.7	0	0	0	0	114	P1094 E1098 V1242	P1094-C1238 HydrophobicContact CB-CB 3.69Å; E1098-C1238 WeakPolarHBondContact OE2-CB 3.45Å; E1098-C1238 PolarHBondContact OE2-N 3.04Å; E1098-C1238 PolarHBondContact OE2-SG 3.33Å; C1238-V1242 WeakPolarHBondContact O-CG2 3.37Å
1239	F	94.4	Very high	92.4	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.026	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-91.1	1.9	175	-57.5	-36.2	0	0	0	114.3	I1091 V1095 I1228 H1231 A1232 W1236 K1237	I1091-F1239 HydrophobicContact CB-CE1 4.43Å; I1091-F1239 HydrophobicContact CG1-CE1 4.33Å; I1091-F1239 HydrophobicContact CG2-CE1 4.23Å; I1091-F1239 HydrophobicContact CG2-CZ 3.83Å; V1095-F1239 HydrophobicContact CG2-CE1 4.33Å; V1095-F1239 HydrophobicContact CG2-CE2 4.07Å; V1095-F1239 HydrophobicContact CG2-CZ 3.46Å; V1095-F1239 VanDerWaalsContact CG2-CZ 3.46Å; I1228-F1239 HydrophobicContact CB-CD1 4.33Å; I1228-F1239 HydrophobicContact CG1-CD1 3.94Å; I1228-F1239 HydrophobicContact CG1-CE1 4.12Å; I1228-F1239 HydrophobicContact CG2-CB 3.95Å; I1228-F1239 HydrophobicContact CG2-CD1 4.03Å; I1228-F1239 HydrophobicContact CG2-CG 4.18Å; H1231-F1239 HydrophobicContact CB-CD2 3.48Å; H1231-F1239 VanDerWaalsContact CB-CD2 3.48Å; H1231-F1239 HydrophobicContact CB-CE2 3.49Å; H1231-F1239 VanDerWaalsContact CB-CE2 3.49Å; A1232-F1239 HydrophobicContact CB-CB 3.81Å; W1236-F1239 HydrophobicContact CB-CD2 3.48Å; W1236-F1239 VanDerWaalsContact CB-CD2 3.48Å; W1236-F1239 HydrophobicContact CB-CE2 3.84Å; W1236-F1239 HydrophobicContact CB-CG 4.29Å; W1236-F1239 HydrophobicContact CG-CD2 4.03Å; W1236-F1239 AromaticContact CG-CE2 3.92Å; W1236-F1239 HydrophobicContact CG-CE2 3.92Å; W1236-F1239 PolarHBondContact O-N 3.23Å; K1237-F1239 PolarHBondContact O-N 2.96Å
1240	T	89.9	Confident	92.5	Very high	80 Å²	80	45.7 Å²	45.7	49%	0.491	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	134.1	174.2	63	0	0	0	0	111.6	K1237 V1242	K1237-T1240 WeakPolarHBondContact O-CB 3.45Å; K1237-T1240 PolarHBondContact O-N 2.95Å; K1237-T1240 PolarHBondContact O-OG1 3.32Å; T1240-V1242 PolarHBondContact O-N 3.45Å; T1240-V1242 VanDerWaalsContact O-N 3.11Å
1241	N	89.6	Confident	92.7	Very high	104 Å²	104	43.8 Å²	43.8	56%	0.556	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	29.8	176.6	-57.2	13.5	0	0	0	115	N1183 E1185	N1183-N1241 WeakPolarHBondContact CB-O 3.04Å; E1185-N1241 PolarHBondContact OE2-ND2 2.73Å
1242	V	93.2	Very high	92.7	Very high	22 Å²	22	44 Å²	44	13%	0.133	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-67.4	130.1	175.3	172.7	0	0	0	0	111.4	L1182 M1225 I1228 C1238 T1240 V1247	L1182-V1242 HydrophobicContact CB-CG1 4.19Å; L1182-V1242 HydrophobicContact CB-CG2 4.1Å; L1182-V1242 WeakPolarHBondContact O-CA 3.1Å; M1225-V1242 HydrophobicContact CE-CG1 4.43Å; M1225-V1242 HydrophobicContact SD-CG1 4.22Å; I1228-V1242 HydrophobicContact CD1-CG1 4.27Å; I1228-V1242 HydrophobicContact CG2-CB 3.96Å; I1228-V1242 HydrophobicContact CG2-CG1 4.14Å; I1228-V1242 HydrophobicContact CG2-CG2 4.17Å; C1238-V1242 WeakPolarHBondContact O-CG2 3.37Å; T1240-V1242 PolarHBondContact O-N 3.45Å; T1240-V1242 VanDerWaalsContact O-N 3.11Å; V1242-V1247 HydrophobicContact CG1-CG2 3.67Å
1243	S	93.8	Very high	92.9	Very high	16 Å²	16	46.1 Å²	46.1	11%	0.112	24%	0.243	C	C	.	.			trans	-84.8	120.8	179.5	173.2	0	0	0	0	111.4	L1182 N1184 E1245 N1246 V1247	L1182-S1243 WeakPolarHBondContact O-CB 3.37Å; L1182-S1243 PolarHBondContact O-N 2.92Å; N1184-S1243 WeakPolarHBondContact OD1-CB 3.4Å; N1184-S1243 PolarHBondContact OD1-OG 3.09Å; S1243-E1245 PolarHBondContact O-N 3.19Å; S1243-E1245 PolarHBondContact OG-N 2.8Å; S1243-N1246 VanDerWaalsContact CB-OD1 3.3Å; S1243-N1246 WeakPolarHBondContact CB-OD1 3.3Å; S1243-N1246 PolarHBondContact O-N 3.46Å; S1243-N1246 VanDerWaalsContact O-N 3.17Å; S1243-N1246 PolarHBondContact OG-N 3.23Å; S1243-N1246 PolarHBondContact OG-OD1 3.08Å; S1243-V1247 WeakPolarHBondContact O-CG2 3.27Å; S1243-V1247 PolarHBondContact O-N 3.22Å
1244	E	94.8	Very high	93.1	Very high	59 Å²	59	37.9 Å²	37.9	28%	0.276	21%	0.208	S	C	.	.	H	α-helix	trans	-58.2	-30.9	171.6	-179.7	170.8	128.5	0	0	111.6	Q902 V1221 M1225 R1229 A1248	Q902-E1244 PolarHBondContact NE2-OE1 2.98Å; V1221-E1244 HydrophobicContact CG1-CG 4.14Å; M1225-E1244 HydrophobicContact CE-CB 4.15Å; M1225-E1244 HydrophobicContact CG-CB 4.18Å; M1225-E1244 HydrophobicContact CG-CG 4.01Å; M1225-E1244 HydrophobicContact SD-CB 4.24Å; R1229-E1244 IonicContact CZ-OE2 2.74Å; R1229-E1244 IonicContact NH1-OE2 3.77Å; R1229-E1244 PolarHBondContact NH1-OE2 3.44Å; R1229-E1244 IonicContact NH2-OE2 2.84Å; R1229-E1244 PolarHBondContact NH2-OE2 2.83Å; E1244-A1248 WeakPolarHBondContact O-CB 3.34Å; E1244-A1248 PolarHBondContact O-N 3.02Å
1245	E	93.7	Very high	93.4	Very high	115 Å²	115	37 Å²	37	54%	0.537	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-44.2	176.1	-178.7	165.9	-145.2	0	0	111.8	S1243 A1248 M1249	S1243-E1245 PolarHBondContact O-N 3.19Å; S1243-E1245 PolarHBondContact OG-N 2.8Å; E1245-A1248 CarbonylContact O-C 3.54Å; E1245-A1248 PolarHBondContact O-N 3.05Å; E1245-M1249 PolarHBondContact O-N 3.45Å
1246	N	93.5	Very high	93.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-70.6	-34.3	179.4	-58.2	28.7	0	0	0	111	R1089 V1181 N1184 S1243 A1248	R1089-N1246 VanDerWaalsContact CZ-O 3.28Å; R1089-N1246 PolarHBondContact NH1-O 2.97Å; R1089-N1246 PolarHBondContact NH2-O 2.83Å; V1181-N1246 PolarHBondContact O-ND2 2.66Å; N1184-N1246 PolarHBondContact OD1-ND2 2.89Å; N1184-N1246 PolarHBondContact OD1-OD1 2.96Å; S1243-N1246 VanDerWaalsContact CB-OD1 3.3Å; S1243-N1246 WeakPolarHBondContact CB-OD1 3.3Å; S1243-N1246 PolarHBondContact O-N 3.46Å; S1243-N1246 VanDerWaalsContact O-N 3.17Å; S1243-N1246 PolarHBondContact OG-N 3.23Å; S1243-N1246 PolarHBondContact OG-OD1 3.08Å; N1246-A1248 VanDerWaalsContact C-N 3.34Å
1247	V	95.4	Very high	93.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-37.8	171.5	175.8	0	0	0	0	110.8	R1089 L1224 M1225 I1228 V1242 S1243 M1249	R1089-V1247 PolarHBondContact NH2-O 3.24Å; L1224-V1247 HydrophobicContact CB-CG1 4.12Å; L1224-V1247 HydrophobicContact CD1-CG1 4.14Å; M1225-V1247 HydrophobicContact CG-CG1 4.47Å; M1225-V1247 HydrophobicContact SD-CB 4Å; M1225-V1247 HydrophobicContact SD-CG1 4.26Å; M1225-V1247 HydrophobicContact SD-CG2 3.71Å; I1228-V1247 HydrophobicContact CD1-CG2 4.18Å; V1242-V1247 HydrophobicContact CG1-CG2 3.67Å; S1243-V1247 WeakPolarHBondContact O-CG2 3.27Å; S1243-V1247 PolarHBondContact O-N 3.22Å; V1247-M1249 VanDerWaalsContact C-N 3.28Å; V1247-M1249 PolarHBondContact O-N 3.01Å
1248	A	95.9	Very high	93.5	Very high	12 Å²	12	32.2 Å²	32.2	10%	0.099	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	7.8	178.7	0	0	0	0	0	115.7	R906 V1221 E1244 E1245 N1246	R906-A1248 PolarHBondContact NH1-O 3.49Å; R906-A1248 VanDerWaalsContact NH2-C 3.31Å; R906-A1248 PolarHBondContact NH2-O 2.9Å; V1221-A1248 HydrophobicContact CG1-CB 3.92Å; V1221-A1248 HydrophobicContact CG2-CB 3.85Å; E1244-A1248 WeakPolarHBondContact O-CB 3.34Å; E1244-A1248 PolarHBondContact O-N 3.02Å; E1245-A1248 CarbonylContact O-C 3.54Å; E1245-A1248 PolarHBondContact O-N 3.05Å; N1246-A1248 VanDerWaalsContact C-N 3.34Å
1249	M	95.4	Very high	93.2	Very high	31 Å²	31	31.7 Å²	31.7	15%	0.153	16%	0.163	C	C	.	.	S	Bend	trans	-78.9	145.5	170.2	-73.4	175.6	-178.4	0	0	111.1	R1089 P1216 E1245 V1247 E1253 A1254 M1257	R1089-M1249 PolarHBondContact NH2-O 3.16Å; P1216-M1249 WeakPolarHBondContact CD-O 3.42Å; E1245-M1249 PolarHBondContact O-N 3.45Å; V1247-M1249 VanDerWaalsContact C-N 3.28Å; V1247-M1249 PolarHBondContact O-N 3.01Å; M1249-E1253 HydrophobicContact CB-CB 3.98Å; M1249-E1253 HydrophobicContact CG-CB 4.16Å; M1249-A1254 HydrophobicContact CB-CB 4.28Å; M1249-M1257 HydrophobicContact CE-SD 3.73Å; M1249-M1257 HydrophobicContact SD-CB 4.47Å; M1249-M1257 HydrophobicContact SD-CE 4.2Å; M1249-M1257 HydrophobicContact SD-SD 3.9Å
1250	S	96.6	Very high	92.8	Very high	2 Å²	2	36 Å²	36	1%	0.014	18%	0.184	C	C	.	.			trans	-58.2	165.8	160.2	65.3	0	0	0	0	111.2	I1213 R1214 S1252 E1253 A1254	I1213-S1250 VanDerWaalsContact C-CB 3.5Å; I1213-S1250 WeakPolarHBondContact O-CB 3.19Å; R1214-S1250 VanDerWaalsContact C-CB 3.42Å; R1214-S1250 VanDerWaalsContact O-CB 3.31Å; R1214-S1250 WeakPolarHBondContact O-CB 3.46Å; S1250-S1252 VanDerWaalsContact C-N 3.32Å; S1250-S1252 PolarHBondContact O-N 3.16Å; S1250-E1253 WeakPolarHBondContact CB-OE2 3.28Å; S1250-E1253 PolarHBondContact N-OE2 3.45Å; S1250-E1253 PolarHBondContact O-N 3.2Å; S1250-E1253 WeakPolarHBondContact OG-CB 3.31Å; S1250-E1253 VanDerWaalsContact OG-CD 3.28Å; S1250-E1253 WeakPolarHBondContact OG-CG 3.34Å; S1250-E1253 PolarHBondContact OG-N 3.22Å; S1250-E1253 VanDerWaalsContact OG-N 3.1Å; S1250-E1253 PolarHBondContact OG-OE2 2.98Å; S1250-A1254 WeakPolarHBondContact O-CB 3.38Å; S1250-A1254 PolarHBondContact O-N 2.97Å; S1250-A1254 VanDerWaalsContact O-N 3.08Å
1251	F	96.3	Very high	92.5	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-40.4	177.1	-167.4	-98.7	0	0	0	111.3	L1085 W1132 W1178 W1200 A1203 L1212 A1254 I1255	L1085-F1251 HydrophobicContact CB-CD2 4.35Å; L1085-F1251 HydrophobicContact CD1-CB 4.17Å; L1085-F1251 HydrophobicContact CD1-CG 4.37Å; L1085-F1251 HydrophobicContact CD2-CD2 3.91Å; L1085-F1251 HydrophobicContact CD2-CE2 4.08Å; L1085-F1251 HydrophobicContact CD2-CG 4.4Å; W1132-F1251 AromaticContact CH2-CE2 3.94Å; W1132-F1251 HydrophobicContact CH2-CE2 3.94Å; W1132-F1251 HydrophobicContact CH2-CZ 4.34Å; W1132-F1251 AromaticContact CZ2-CE2 3.7Å; W1132-F1251 HydrophobicContact CZ2-CE2 3.7Å; W1132-F1251 AromaticContact CZ2-CZ 3.63Å; W1132-F1251 HydrophobicContact CZ2-CZ 3.63Å; W1178-F1251 AromaticContact CH2-CE2 3.58Å; W1178-F1251 HydrophobicContact CH2-CE2 3.58Å; W1178-F1251 HydrophobicContact CH2-CZ 4.05Å; W1178-F1251 AromaticContact CZ3-CE2 3.98Å; W1178-F1251 HydrophobicContact CZ3-CE2 3.98Å; W1178-F1251 HydrophobicContact CZ3-CZ 4.29Å; W1200-F1251 AromaticContact CE3-CD1 3.73Å; W1200-F1251 HydrophobicContact CE3-CD1 3.73Å; W1200-F1251 AromaticContact CE3-CE1 3.86Å; W1200-F1251 HydrophobicContact CE3-CE1 3.86Å; W1200-F1251 AromaticContact CZ3-CD1 3.96Å; W1200-F1251 HydrophobicContact CZ3-CD1 3.96Å; A1203-F1251 HydrophobicContact CB-CD1 4.15Å; A1203-F1251 HydrophobicContact CB-CE1 3.56Å; A1203-F1251 HydrophobicContact CB-CZ 4.18Å; L1212-F1251 HydrophobicContact CD2-CB 4.44Å; L1212-F1251 HydrophobicContact CD2-CD1 4.04Å; L1212-F1251 HydrophobicContact CD2-CG 4.44Å; L1212-F1251 PolarHBondContact O-N 3.09Å; F1251-A1254 PolarHBondContact O-N 3.33Å; F1251-I1255 HydrophobicContact CD1-CG1 4.28Å; F1251-I1255 HydrophobicContact CE1-CD1 4.48Å; F1251-I1255 HydrophobicContact CE1-CG1 4Å; F1251-I1255 HydrophobicContact CZ-CD1 4.35Å; F1251-I1255 HydrophobicContact CZ-CG1 4.32Å; F1251-I1255 WeakPolarHBondContact O-CG1 3.31Å; F1251-I1255 PolarHBondContact O-N 2.76Å; F1251-I1255 VanDerWaalsContact O-N 3.09Å
1252	S	94.6	Very high	92.1	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-46.4	176	-163.6	0	0	0	0	112.8	W1200 L1212 S1250 A1254 H1256	W1200-S1252 WeakPolarHBondContact CH2-OG 3.38Å; L1212-S1252 WeakPolarHBondContact O-CB 3.48Å; L1212-S1252 PolarHBondContact O-N 3.34Å; S1250-S1252 VanDerWaalsContact C-N 3.32Å; S1250-S1252 PolarHBondContact O-N 3.16Å; S1252-A1254 PolarHBondContact O-N 3.03Å; S1252-H1256 VanDerWaalsContact O-CB 3.29Å; S1252-H1256 WeakPolarHBondContact O-CB 3.37Å; S1252-H1256 PolarHBondContact O-N 3.14Å
1253	E	95.1	Very high	91.3	Very high	85 Å²	85	33 Å²	33	40%	0.397	16%	0.161	S	C	.	.	H	α-helix	trans	-62.7	-41	177	-73.6	163.7	125.1	0	0	111.9	M1249 S1250 H1256 M1257	M1249-E1253 HydrophobicContact CB-CB 3.98Å; M1249-E1253 HydrophobicContact CG-CB 4.16Å; S1250-E1253 WeakPolarHBondContact CB-OE2 3.28Å; S1250-E1253 PolarHBondContact N-OE2 3.45Å; S1250-E1253 PolarHBondContact O-N 3.2Å; S1250-E1253 WeakPolarHBondContact OG-CB 3.31Å; S1250-E1253 VanDerWaalsContact OG-CD 3.28Å; S1250-E1253 WeakPolarHBondContact OG-CG 3.34Å; S1250-E1253 PolarHBondContact OG-N 3.22Å; S1250-E1253 VanDerWaalsContact OG-N 3.1Å; S1250-E1253 PolarHBondContact OG-OE2 2.98Å; E1253-H1256 PolarHBondContact O-N 3.31Å; E1253-M1257 WeakPolarHBondContact O-CB 3.42Å; E1253-M1257 PolarHBondContact O-N 3.17Å
1254	A	93.7	Very high	90.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-45.6	-179.8	0	0	0	0	0	112.4	M1249 S1250 F1251 S1252 H1256 M1257 E1258	M1249-A1254 HydrophobicContact CB-CB 4.28Å; S1250-A1254 WeakPolarHBondContact O-CB 3.38Å; S1250-A1254 PolarHBondContact O-N 2.97Å; S1250-A1254 VanDerWaalsContact O-N 3.08Å; F1251-A1254 PolarHBondContact O-N 3.33Å; S1252-A1254 PolarHBondContact O-N 3.03Å; A1254-H1256 VanDerWaalsContact C-N 3.34Å; A1254-M1257 PolarHBondContact O-N 2.94Å; A1254-E1258 WeakPolarHBondContact O-CG 3.49Å; A1254-E1258 PolarHBondContact O-N 3.03Å
1255	I	93.3	Very high	89.4	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-41.1	174.5	-64	-62	0	0	0	110.8	W1178 A1196 W1200 F1251 M1257 E1258 H1259 M1318	W1178-I1255 HydrophobicContact CH2-CD1 4.36Å; W1178-I1255 HydrophobicContact CZ2-CD1 3.68Å; A1196-I1255 HydrophobicContact CB-CD1 4.06Å; W1200-I1255 HydrophobicContact CB-CG1 4.32Å; W1200-I1255 HydrophobicContact CB-CG2 4.05Å; W1200-I1255 HydrophobicContact CD2-CG2 4.47Å; W1200-I1255 HydrophobicContact CE3-CB 4.4Å; W1200-I1255 HydrophobicContact CE3-CG1 4.17Å; W1200-I1255 HydrophobicContact CG-CG2 4.26Å; F1251-I1255 HydrophobicContact CD1-CG1 4.28Å; F1251-I1255 HydrophobicContact CE1-CD1 4.48Å; F1251-I1255 HydrophobicContact CE1-CG1 4Å; F1251-I1255 HydrophobicContact CZ-CD1 4.35Å; F1251-I1255 HydrophobicContact CZ-CG1 4.32Å; F1251-I1255 WeakPolarHBondContact O-CG1 3.31Å; F1251-I1255 PolarHBondContact O-N 2.76Å; F1251-I1255 VanDerWaalsContact O-N 3.09Å; I1255-M1257 PolarHBondContact O-N 3.27Å; I1255-E1258 PolarHBondContact O-N 2.81Å; I1255-H1259 PolarHBondContact O-CD2 2.66Å; I1255-H1259 PolarHBondContact O-N 2.76Å; I1255-M1318 HydrophobicContact CG2-CE 4.42Å
1256	H	91.1	Very high	88.4	Confident	66 Å²	66	36.5 Å²	36.5	31%	0.306	18%	0.177	S	C	.	.	H	α-helix	trans	-64.7	-39.2	177.8	-170.7	75.7	0	0	0	112.5	S1252 E1253 A1254 H1259 Q1260	S1252-H1256 VanDerWaalsContact O-CB 3.29Å; S1252-H1256 WeakPolarHBondContact O-CB 3.37Å; S1252-H1256 PolarHBondContact O-N 3.14Å; E1253-H1256 PolarHBondContact O-N 3.31Å; A1254-H1256 VanDerWaalsContact C-N 3.34Å; H1256-H1259 WeakPolarHBondContact O-CB 3.5Å; H1256-H1259 PolarHBondContact O-N 3.16Å; H1256-Q1260 PolarHBondContact CD2-NE2 2.77Å; H1256-Q1260 PolarHBondContact NE2-NE2 2.67Å; H1256-Q1260 WeakPolarHBondContact O-CG 3.33Å; H1256-Q1260 PolarHBondContact O-N 2.77Å
1257	M	90.2	Very high	87.2	Confident	30 Å²	30	39 Å²	39	15%	0.148	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-48.8	171.3	177.4	-169.9	66.6	0	0	111.3	V1181 M1249 E1253 A1254 I1255 H1259 Q1260 L1261	V1181-M1257 HydrophobicContact CB-CE 4.24Å; V1181-M1257 HydrophobicContact CG1-CE 4.45Å; V1181-M1257 WeakPolarHBondContact O-CE 3.14Å; M1249-M1257 HydrophobicContact CE-SD 3.73Å; M1249-M1257 HydrophobicContact SD-CB 4.47Å; M1249-M1257 HydrophobicContact SD-CE 4.2Å; M1249-M1257 HydrophobicContact SD-SD 3.9Å; E1253-M1257 WeakPolarHBondContact O-CB 3.42Å; E1253-M1257 PolarHBondContact O-N 3.17Å; A1254-M1257 PolarHBondContact O-N 2.94Å; I1255-M1257 PolarHBondContact O-N 3.27Å; M1257-H1259 VanDerWaalsContact C-N 3.26Å; M1257-H1259 PolarHBondContact O-N 2.95Å; M1257-Q1260 PolarHBondContact O-N 2.93Å; M1257-Q1260 VanDerWaalsContact O-N 3.07Å; M1257-L1261 HydrophobicContact CG-CD1 4.37Å; M1257-L1261 HydrophobicContact CG-CG 4.45Å; M1257-L1261 WeakPolarHBondContact O-CG 3.42Å; M1257-L1261 PolarHBondContact O-N 3.49Å
1258	E	89.8	Confident	85.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-37.1	178.5	-73.5	-179.3	-159.5	0	0	112.2	W1178 P1180 V1181 V1191 A1254 I1255 V1262	W1178-E1258 PolarHBondContact NE1-OE2 3.35Å; P1180-E1258 WeakPolarHBondContact CA-OE1 3.37Å; V1181-E1258 HydrophobicContact CB-CG 3.89Å; V1181-E1258 HydrophobicContact CG2-CG 3.71Å; V1181-E1258 PolarHBondContact N-OE1 2.95Å; V1191-E1258 HydrophobicContact CG1-CB 3.98Å; V1191-E1258 HydrophobicContact CG1-CG 4.33Å; A1254-E1258 WeakPolarHBondContact O-CG 3.49Å; A1254-E1258 PolarHBondContact O-N 3.03Å; I1255-E1258 PolarHBondContact O-N 2.81Å; E1258-V1262 WeakPolarHBondContact O-CG2 3.16Å; E1258-V1262 PolarHBondContact O-N 3.18Å
1259	H	86.6	Confident	84.2	Confident	19 Å²	19	48.6 Å²	48.6	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-50.2	169.1	-91.3	-102.3	0	0	0	113.1	I1193 Q1197 I1255 H1256 M1257 L1261 V1262 E1263 L1314	I1193-H1259 HydrophobicContact CD1-CB 4.37Å; I1193-H1259 VanDerWaalsContact CD1-CD2 3.46Å; I1193-H1259 WeakPolarHBondContact CD1-CD2 3.37Å; Q1197-H1259 VanDerWaalsContact CG-NE2 3.33Å; Q1197-H1259 WeakPolarHBondContact CG-NE2 3.25Å; Q1197-H1259 PolarHBondContact NE2-CE1 2.91Å; I1255-H1259 PolarHBondContact O-CD2 2.66Å; I1255-H1259 PolarHBondContact O-N 2.76Å; H1256-H1259 WeakPolarHBondContact O-CB 3.5Å; H1256-H1259 PolarHBondContact O-N 3.16Å; M1257-H1259 VanDerWaalsContact C-N 3.26Å; M1257-H1259 PolarHBondContact O-N 2.95Å; H1259-L1261 VanDerWaalsContact C-N 3.35Å; H1259-L1261 PolarHBondContact O-N 3.25Å; H1259-V1262 PolarHBondContact O-N 3.41Å; H1259-E1263 PolarHBondContact O-N 3.38Å; H1259-L1314 WeakPolarHBondContact CE1-CD2 3.19Å; H1259-L1314 WeakPolarHBondContact NE2-CD2 3.33Å
1260	Q	86.3	Confident	82.6	Confident	97 Å²	97	53 Å²	53	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-59.7	-42.8	179.9	-71.6	-176.7	8.4	0	0	112.2	H1256 M1257 V1262 E1263 M1264	H1256-Q1260 PolarHBondContact CD2-NE2 2.77Å; H1256-Q1260 PolarHBondContact NE2-NE2 2.67Å; H1256-Q1260 WeakPolarHBondContact O-CG 3.33Å; H1256-Q1260 PolarHBondContact O-N 2.77Å; M1257-Q1260 PolarHBondContact O-N 2.93Å; M1257-Q1260 VanDerWaalsContact O-N 3.07Å; Q1260-V1262 VanDerWaalsContact C-N 3.28Å; Q1260-V1262 PolarHBondContact O-N 2.71Å; Q1260-E1263 PolarHBondContact O-N 3.28Å; Q1260-E1263 VanDerWaalsContact O-N 3.12Å; Q1260-M1264 WeakPolarHBondContact O-CG 3.17Å; Q1260-M1264 PolarHBondContact O-N 3.16Å
1261	L	84	Confident	81.1	Confident	31 Å²	31	57.4 Å²	57.4	16%	0.162	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-38.8	179.7	-66.6	-179.8	0	0	0	112.2	V1181 P1187 M1257 H1259 M1264 N1265	V1181-L1261 HydrophobicContact CG1-CD1 3.83Å; P1187-L1261 HydrophobicContact CB-CD1 3.85Å; P1187-L1261 HydrophobicContact CB-CD2 3.72Å; P1187-L1261 HydrophobicContact CB-CG 4.27Å; M1257-L1261 HydrophobicContact CG-CD1 4.37Å; M1257-L1261 HydrophobicContact CG-CG 4.45Å; M1257-L1261 WeakPolarHBondContact O-CG 3.42Å; M1257-L1261 PolarHBondContact O-N 3.49Å; H1259-L1261 VanDerWaalsContact C-N 3.35Å; H1259-L1261 PolarHBondContact O-N 3.25Å; L1261-M1264 PolarHBondContact O-N 3.3Å; L1261-N1265 WeakPolarHBondContact O-CB 3.47Å; L1261-N1265 VanDerWaalsContact O-CG 3.31Å; L1261-N1265 PolarHBondContact O-N 3.29Å; L1261-N1265 PolarHBondContact O-ND2 3.31Å; L1261-N1265 VanDerWaalsContact O-ND2 3.14Å
1262	V	80.2	Confident	79.3	Confident	18 Å²	18	59 Å²	59	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-37.2	176.9	170.8	0	0	0	0	111.9	V1191 I1193 E1258 H1259 Q1260 K1266	V1191-V1262 HydrophobicContact CB-CG2 3.72Å; V1191-V1262 HydrophobicContact CG1-CG2 3.91Å; V1191-V1262 HydrophobicContact CG2-CG2 4.36Å; I1193-V1262 HydrophobicContact CB-CG2 4.11Å; I1193-V1262 HydrophobicContact CD1-CG2 4.13Å; I1193-V1262 HydrophobicContact CG1-CG1 4.48Å; I1193-V1262 HydrophobicContact CG1-CG2 4.24Å; E1258-V1262 WeakPolarHBondContact O-CG2 3.16Å; E1258-V1262 PolarHBondContact O-N 3.18Å; H1259-V1262 PolarHBondContact O-N 3.41Å; Q1260-V1262 VanDerWaalsContact C-N 3.28Å; Q1260-V1262 PolarHBondContact O-N 2.71Å; V1262-K1266 HydrophobicContact CG1-CD 4.28Å; V1262-K1266 VanDerWaalsContact O-CG 3.29Å; V1262-K1266 WeakPolarHBondContact O-CG 3.48Å; V1262-K1266 PolarHBondContact O-N 3.44Å
1263	E	77.7	Confident	77.5	Confident	94 Å²	94	64.4 Å²	64.4	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-74.5	-37.6	177.7	-63	-169	165.9	0	0	112.1	H1259 Q1260 K1266 S1267 N1311	H1259-E1263 PolarHBondContact O-N 3.38Å; Q1260-E1263 PolarHBondContact O-N 3.28Å; Q1260-E1263 VanDerWaalsContact O-N 3.12Å; E1263-K1266 PolarHBondContact O-N 3.35Å; E1263-S1267 PolarHBondContact O-N 2.88Å; E1263-N1311 PolarHBondContact OE1-ND2 3.08Å
1264	M	76.3	Confident	75.7	Confident	116 Å²	116	65.6 Å²	65.6	57%	0.571	33%	0.328	S	S	*	.	H	α-helix	trans	-61.1	-44.4	170.5	-69.2	-178.6	74.1	0	0	111.8	Q1260 L1261 S1267 T1268	Q1260-M1264 WeakPolarHBondContact O-CG 3.17Å; Q1260-M1264 PolarHBondContact O-N 3.16Å; L1261-M1264 PolarHBondContact O-N 3.3Å; M1264-S1267 PolarHBondContact O-N 3.35Å; M1264-S1267 PolarHBondContact O-OG 3.05Å; M1264-T1268 WeakPolarHBondContact O-CB 3.41Å; M1264-T1268 PolarHBondContact O-N 3.23Å; M1264-T1268 PolarHBondContact O-OG1 3.43Å
1265	N	72.1	Confident	73.9	Confident	42 Å²	42	68.9 Å²	68.9	23%	0.225	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-49.6	175.7	-79	-36.3	0	0	0	111.6	P1187 L1261 S1267 T1268 E1269	P1187-N1265 PolarHBondContact O-ND2 2.54Å; L1261-N1265 WeakPolarHBondContact O-CB 3.47Å; L1261-N1265 VanDerWaalsContact O-CG 3.31Å; L1261-N1265 PolarHBondContact O-N 3.29Å; L1261-N1265 PolarHBondContact O-ND2 3.31Å; L1261-N1265 VanDerWaalsContact O-ND2 3.14Å; N1265-S1267 VanDerWaalsContact C-N 3.3Å; N1265-S1267 PolarHBondContact O-N 2.94Å; N1265-T1268 PolarHBondContact O-N 2.9Å; N1265-E1269 PolarHBondContact O-N 3.24Å
1266	K	72.1	Confident	72	Confident	105 Å²	105	76.5 Å²	76.5	46%	0.457	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-42.3	174.4	-72.9	167	-177	171.9	0	112.4	V1262 E1263 T1268 F1270	V1262-K1266 HydrophobicContact CG1-CD 4.28Å; V1262-K1266 VanDerWaalsContact O-CG 3.29Å; V1262-K1266 WeakPolarHBondContact O-CG 3.48Å; V1262-K1266 PolarHBondContact O-N 3.44Å; E1263-K1266 PolarHBondContact O-N 3.35Å; K1266-T1268 VanDerWaalsContact C-N 3.34Å; K1266-F1270 WeakPolarHBondContact O-CB 3.22Å; K1266-F1270 PolarHBondContact O-N 2.88Å
1267	S	69.3	Low	70.2	Confident	57 Å²	57	81.5 Å²	81.5	40%	0.399	40%	0.401	S	S	.	.	H	α-helix	trans	-66.3	-36.3	177.5	82.8	0	0	0	0	112.6	E1263 M1264 N1265 F1270 N1271	E1263-S1267 PolarHBondContact O-N 2.88Å; M1264-S1267 PolarHBondContact O-N 3.35Å; M1264-S1267 PolarHBondContact O-OG 3.05Å; N1265-S1267 VanDerWaalsContact C-N 3.3Å; N1265-S1267 PolarHBondContact O-N 2.94Å; S1267-F1270 PolarHBondContact O-N 2.93Å; S1267-N1271 WeakPolarHBondContact O-CB 3.09Å; S1267-N1271 VanDerWaalsContact O-CG 3.28Å; S1267-N1271 PolarHBondContact O-N 3.03Å; S1267-N1271 PolarHBondContact O-ND2 3.48Å; S1267-N1271 VanDerWaalsContact O-ND2 3.14Å
1268	T	65.4	Low	68.3	Low	87 Å²	87	86.4 Å²	86.4	53%	0.534	43%	0.427	S	S	.	.	H	α-helix	trans	-72.2	-42.1	-179.4	-57	0	0	0	0	111.1	M1264 N1265 K1266 N1271 S1272	M1264-T1268 WeakPolarHBondContact O-CB 3.41Å; M1264-T1268 PolarHBondContact O-N 3.23Å; M1264-T1268 PolarHBondContact O-OG1 3.43Å; N1265-T1268 PolarHBondContact O-N 2.9Å; K1266-T1268 VanDerWaalsContact C-N 3.34Å; T1268-N1271 PolarHBondContact O-N 3.5Å; T1268-S1272 WeakPolarHBondContact O-CB 3.24Å; T1268-S1272 PolarHBondContact O-N 3.16Å
1269	E	62.1	Low	66.3	Low	127 Å²	127	89.5 Å²	89.5	59%	0.593	45%	0.448	S	S	*	.	H	α-helix	trans	-60.9	-45	171.2	-70.2	-166.2	138	0	0	111.9	N1265 N1271 S1272 M1273	N1265-E1269 PolarHBondContact O-N 3.24Å; E1269-N1271 VanDerWaalsContact C-N 3.33Å; E1269-N1271 PolarHBondContact O-N 2.67Å; E1269-S1272 WeakPolarHBondContact O-CB 3.43Å; E1269-S1272 PolarHBondContact O-N 2.86Å; E1269-M1273 WeakPolarHBondContact O-CG 3.23Å; E1269-M1273 PolarHBondContact O-N 3.08Å
1270	F	61.1	Low	64.5	Low	124 Å²	124	94.4 Å²	94.4	54%	0.544	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-39.1	178.3	-173.6	-115.3	0	0	0	112.5	K1266 S1267 M1273 K1274	K1266-F1270 WeakPolarHBondContact O-CB 3.22Å; K1266-F1270 PolarHBondContact O-N 2.88Å; S1267-F1270 PolarHBondContact O-N 2.93Å; F1270-M1273 PolarHBondContact O-N 3.14Å; F1270-K1274 HydrophobicContact CD1-CD 4.43Å; F1270-K1274 HydrophobicContact CE1-CD 4.19Å; F1270-K1274 WeakPolarHBondContact O-CG 3.39Å; F1270-K1274 PolarHBondContact O-N 3.06Å
1271	N	65.5	Low	62.5	Low	94 Å²	94	94.4 Å²	94.4	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-36.9	174.4	-72.2	-30.9	0	0	0	112.4	S1267 T1268 E1269 K1274 S1275	S1267-N1271 WeakPolarHBondContact O-CB 3.09Å; S1267-N1271 VanDerWaalsContact O-CG 3.28Å; S1267-N1271 PolarHBondContact O-N 3.03Å; S1267-N1271 PolarHBondContact O-ND2 3.48Å; S1267-N1271 VanDerWaalsContact O-ND2 3.14Å; T1268-N1271 PolarHBondContact O-N 3.5Å; E1269-N1271 VanDerWaalsContact C-N 3.33Å; E1269-N1271 PolarHBondContact O-N 2.67Å; N1271-K1274 PolarHBondContact O-N 2.77Å; N1271-S1275 PolarHBondContact O-N 2.83Å; N1271-S1275 PolarHBondContact O-OG 3.32Å
1272	S	58.6	Low	60.4	Low	42 Å²	42	98 Å²	98	29%	0.294	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-41.3	171.7	176.8	0	0	0	0	112.3	T1268 E1269 S1275 R1276	T1268-S1272 WeakPolarHBondContact O-CB 3.24Å; T1268-S1272 PolarHBondContact O-N 3.16Å; E1269-S1272 WeakPolarHBondContact O-CB 3.43Å; E1269-S1272 PolarHBondContact O-N 2.86Å; S1272-S1275 PolarHBondContact O-N 3.35Å; S1272-S1275 PolarHBondContact O-OG 2.85Å; S1272-R1276 WeakPolarHBondContact O-CG 3.36Å; S1272-R1276 PolarHBondContact O-N 3Å; S1272-R1276 VanDerWaalsContact O-N 3.11Å
1273	M	56.6	Low	58.1	Low	118 Å²	118	102.6 Å²	102.6	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-67.8	-35.7	174.2	-70.5	-169.9	-172.3	0	0	112.2	E1269 F1270 K1277	E1269-M1273 WeakPolarHBondContact O-CG 3.23Å; E1269-M1273 PolarHBondContact O-N 3.08Å; F1270-M1273 PolarHBondContact O-N 3.14Å; M1273-K1277 WeakPolarHBondContact O-CB 3.11Å; M1273-K1277 WeakPolarHBondContact O-CG 3.28Å; M1273-K1277 PolarHBondContact O-N 2.93Å; M1273-K1277 VanDerWaalsContact O-N 3.09Å
1274	K	58.5	Low	56.2	Low	110 Å²	110	103.3 Å²	103.3	48%	0.478	56%	0.561	S	S	.	*	H	α-helix	trans	-64.9	-45	172.4	-83.5	-179.2	172.8	178.2	0	112.4	F1270 N1271 K1277 L1278	F1270-K1274 HydrophobicContact CD1-CD 4.43Å; F1270-K1274 HydrophobicContact CE1-CD 4.19Å; F1270-K1274 WeakPolarHBondContact O-CG 3.39Å; F1270-K1274 PolarHBondContact O-N 3.06Å; N1271-K1274 PolarHBondContact O-N 2.77Å; K1274-K1277 PolarHBondContact O-N 3.22Å; K1274-L1278 WeakPolarHBondContact O-CG 3.23Å; K1274-L1278 PolarHBondContact O-N 3.19Å; K1274-L1278 VanDerWaalsContact O-N 3.13Å
1275	S	55.3	Low	54	Low	69 Å²	69	105.6 Å²	105.6	48%	0.483	57%	0.574	S	S	.	*	H	α-helix	trans	-66.3	-41.2	-179	63.1	0	0	0	0	112.1	N1271 S1272 L1278 S1279	N1271-S1275 PolarHBondContact O-N 2.83Å; N1271-S1275 PolarHBondContact O-OG 3.32Å; S1272-S1275 PolarHBondContact O-N 3.35Å; S1272-S1275 PolarHBondContact O-OG 2.85Å; S1275-L1278 PolarHBondContact O-N 3.27Å; S1275-L1278 VanDerWaalsContact O-N 3.11Å; S1275-S1279 PolarHBondContact O-N 3.03Å
1276	R	54.1	Low	52.2	Low	159 Å²	159	109.1 Å²	109.1	60%	0.6	60%	0.599	S	S	*	*	H	α-helix	trans	-62.1	-44.7	173.1	-65.6	178	-160.2	-159.9	2.4	112.4	S1272 L1278 S1279 D1280	S1272-R1276 WeakPolarHBondContact O-CG 3.36Å; S1272-R1276 PolarHBondContact O-N 3Å; S1272-R1276 VanDerWaalsContact O-N 3.11Å; R1276-L1278 PolarHBondContact O-N 3Å; R1276-L1278 VanDerWaalsContact O-N 3.09Å; R1276-S1279 WeakPolarHBondContact CA-OG 3.42Å; R1276-S1279 PolarHBondContact O-N 3.23Å; R1276-S1279 VanDerWaalsContact O-N 3.11Å; R1276-S1279 PolarHBondContact O-OG 3.19Å; R1276-D1280 WeakPolarHBondContact O-CB 3.37Å; R1276-D1280 PolarHBondContact O-N 3.23Å
1277	K	52.8	Low	50.3	Low	172 Å²	172	109.6 Å²	109.6	75%	0.748	62%	0.615	S	S	*	*	H	α-helix	trans	-64.7	-13.3	174.7	-76.4	-175.9	174.8	-178.3	0	114.4	M1273 K1274	M1273-K1277 WeakPolarHBondContact O-CB 3.11Å; M1273-K1277 WeakPolarHBondContact O-CG 3.28Å; M1273-K1277 PolarHBondContact O-N 2.93Å; M1273-K1277 VanDerWaalsContact O-N 3.09Å; K1274-K1277 PolarHBondContact O-N 3.22Å
1278	L	49.8	Very low	48.7	Very low	133 Å²	133	112.5 Å²	112.5	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-97.8	-24.4	172.9	-71.4	166.1	0	0	0	113.1	K1274 S1275 R1276 S1281	K1274-L1278 WeakPolarHBondContact O-CG 3.23Å; K1274-L1278 PolarHBondContact O-N 3.19Å; K1274-L1278 VanDerWaalsContact O-N 3.13Å; S1275-L1278 PolarHBondContact O-N 3.27Å; S1275-L1278 VanDerWaalsContact O-N 3.11Å; R1276-L1278 PolarHBondContact O-N 3Å; R1276-L1278 VanDerWaalsContact O-N 3.09Å; L1278-S1281 PolarHBondContact O-OG 2.89Å
1279	S	49	Very low	47	Very low	66 Å²	66	113.4 Å²	113.4	46%	0.462	65%	0.645	S	S	.	*	H	α-helix	trans	-75.6	-35.9	170.8	55.3	0	0	0	0	112.4	S1275 R1276 S1281	S1275-S1279 PolarHBondContact O-N 3.03Å; R1276-S1279 WeakPolarHBondContact CA-OG 3.42Å; R1276-S1279 PolarHBondContact O-N 3.23Å; R1276-S1279 VanDerWaalsContact O-N 3.11Å; R1276-S1279 PolarHBondContact O-OG 3.19Å; S1279-S1281 PolarHBondContact O-N 3.11Å
1280	D	47.9	Very low	45.6	Very low	122 Å²	122	113.3 Å²	113.3	65%	0.652	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	0	-166.9	-58.1	-4.3	0	0	0	112.8	R1276 S1282	R1276-D1280 WeakPolarHBondContact O-CB 3.37Å; R1276-D1280 PolarHBondContact O-N 3.23Å; D1280-S1282 VanDerWaalsContact C-N 3.25Å; D1280-S1282 PolarHBondContact O-N 3.06Å
1281	S	44.3	Very low	44.3	Very low	97 Å²	97	116.2 Å²	116.2	68%	0.678	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	6.6	179.5	55	0	0	0	0	115.3	L1278 S1279	L1278-S1281 PolarHBondContact O-OG 2.89Å; S1279-S1281 PolarHBondContact O-N 3.11Å
1282	S	39.5	Very low	42.5	Very low	105 Å²	105	116 Å²	116	73%	0.734	68%	0.68	S	S	*	*	S	Bend	trans	-132.4	53.6	-175.8	67.2	0	0	0	0	114.5	D1280	D1280-S1282 VanDerWaalsContact C-N 3.25Å; D1280-S1282 PolarHBondContact O-N 3.06Å
1283	C	32.6	Very low	41.2	Very low	115 Å²	115	120 Å²	120	78%	0.777	70%	0.704	S	S	*	*			trans	-143.4	129.7	162.3	-161	0	0	0	0	112
1284	S	36.5	Very low	39.8	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-84.7	125.7	179.7	52.7	0	0	0	0	111.5	P1286	S1284-P1286 WeakPolarHBondContact O-CD 3.31Å
1285	I	31.2	Very low	38.5	Very low	164 Å²	164	123.6 Å²	123.6	84%	0.841	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-88.2	121.4	-176.3	-57.4	170.2	0	0	0	111.4
1286	P	35	Very low	37.3	Very low	116 Å²	116	125.2 Å²	125.2	75%	0.753	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-91.7	151.8	157.4	35.4	-30	0	0	0	111.2	S1284	S1284-P1286 WeakPolarHBondContact O-CD 3.31Å
1287	S	30.6	Very low	36.1	Very low	115 Å²	115	123.3 Å²	123.3	80%	0.804	76%	0.757	S	S	*	*			trans	-104	120.5	-169.8	56.9	0	0	0	0	114.5
1288	S	36	Very low	35.1	Very low	117 Å²	117	121.7 Å²	121.7	82%	0.818	76%	0.761	S	S	*	*			trans	-164.9	144.7	148.6	54.8	0	0	0	0	113.1
1289	S	29.7	Very low	34	Very low	106 Å²	106	121.2 Å²	121.2	74%	0.741	77%	0.769	S	S	*	*			trans	-37.8	146.6	171.1	51.4	0	0	0	0	118.1
1290	V	33.9	Very low	33.2	Very low	125 Å²	125	123.4 Å²	123.4	76%	0.758	79%	0.785	S	S	*	*				-172.8	138.5	112.9	143.9	0	0	0	0	111.3
1291	E	32.6	Very low	32.2	Very low	185 Å²	185	123.6 Å²	123.6	86%	0.864	80%	0.796	S	S	*	*			trans	25.8	138.4	157.8	-61.3	168.9	172.9	0	0	122.8
1292	A	27.3	Very low	31.6	Very low	90 Å²	90	123.6 Å²	123.6	74%	0.744	80%	0.796	S	S	*	*			trans	-123.8	135.5	171.1	0	0	0	0	0	111.1
1293	P	31.7	Very low	31.1	Very low	125 Å²	125	125.4 Å²	125.4	81%	0.812	80%	0.802	S	S	*	*			trans	-76.4	137	175.6	-11.8	27.8	0	0	0	112.2
1294	I	26.8	Very low	30.9	Very low	171 Å²	171	126.2 Å²	126.2	88%	0.877	80%	0.804	S	S	*	*			trans	-85.3	126.2	169.2	-60.7	170.9	0	0	0	108.6
1295	V	32.3	Very low	30.6	Very low	134 Å²	134	125 Å²	125	81%	0.812	80%	0.801	S	S	*	*			trans	-129.8	134.7	166.4	-177.8	0	0	0	0	108.4
1296	S	28.8	Very low	30.5	Very low	103 Å²	103	121.4 Å²	121.4	72%	0.72	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-81.6	130.4	-166.6	51.2	0	0	0	0	114
1297	S	29.3	Very low	30.2	Very low	119 Å²	119	123.1 Å²	123.1	83%	0.832	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-85.3	120.5	161.4	47.4	0	0	0	0	111
1298	T	31.7	Very low	30.1	Very low	137 Å²	137	129.2 Å²	129.2	84%	0.84	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-85.4	144.4	164.7	40.2	0	0	0	0	110.2
1299	S	28.4	Very low	30.1	Very low	124 Å²	124	131.5 Å²	131.5	87%	0.867	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-97.5	137.7	-171.1	44.5	0	0	0	0	113.3
1300	S	30.8	Very low	30.4	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	78%	0.775	S	S	*	*			trans	-136.7	86.7	168.2	48.2	0	0	0	0	110.1	S1302	S1300-S1302 PolarHBondContact O-N 3.02Å
1301	S	28.3	Very low	30.8	Very low	126 Å²	126	126.2 Å²	126.2	88%	0.881	75%	0.753	S	S	*	*			trans	-70.3	115.2	176.5	52.3	0	0	0	0	110.8
1302	S	31.7	Very low	31.2	Very low	97 Å²	97	120.2 Å²	120.2	68%	0.678	73%	0.732	S	S	*	*			trans	-116	139	171	48.8	0	0	0	0	110.4	S1300 T1304	S1300-S1302 PolarHBondContact O-N 3.02Å; S1302-T1304 PolarHBondContact O-N 3.04Å
1303	T	27.6	Very low	32.1	Very low	142 Å²	142	121.3 Å²	121.3	87%	0.871	72%	0.721	S	S	*	*			trans	-88.6	64.2	-162.5	-35.4	0	0	0	0	112.6	A1305	T1303-A1305 VanDerWaalsContact C-N 3.28Å; T1303-A1305 PolarHBondContact O-N 2.7Å
1304	T	28.9	Very low	32.8	Very low	132 Å²	132	116.9 Å²	116.9	81%	0.81	69%	0.69	S	S	*	*			trans	-76	72.7	-176.2	-46.8	0	0	0	0	112.6	S1302 A1306	S1302-T1304 PolarHBondContact O-N 3.04Å; T1304-A1306 PolarHBondContact O-N 2.82Å
1305	A	30.6	Very low	33.6	Very low	85 Å²	85	111.9 Å²	111.9	70%	0.702	67%	0.671	S	S	*	*			trans	-85	91.5	-178.5	0	0	0	0	0	112.8	T1303	T1303-A1305 VanDerWaalsContact C-N 3.28Å; T1303-A1305 PolarHBondContact O-N 2.7Å
1306	A	27.5	Very low	34.4	Very low	88 Å²	88	109.8 Å²	109.8	73%	0.727	66%	0.655	S	S	*	*			trans	61.1	64.4	150.7	0	0	0	0	0	119.8	T1304	T1304-A1306 PolarHBondContact O-N 2.82Å
1307	Y	30.6	Very low	35.4	Very low	152 Å²	152	109.8 Å²	109.8	60%	0.596	64%	0.64	S	S	*	*			trans	-103.2	95.9	140.5	-85.8	-90	0	0	0	109.8	H546 S549	H546-Y1307 PolarHBondContact O-OH 3.23Å; S549-Y1307 PolarHBondContact OG-OH 3.4Å
1308	R	27.9	Very low	36.2	Very low	243 Å²	243	104.4 Å²	104.4	92%	0.917	60%	0.602	S	S	*	*			trans	-136.9	72.6	169.6	-79.7	-169	177.8	171	2.1	110.3
1309	F	36.3	Very low	37	Very low	165 Å²	165	100.3 Å²	100.3	72%	0.724	58%	0.582	S	S	*	*			trans	-73.8	146.9	155.2	-88.7	-91.5	0	0	0	109.1
1310	S	36.4	Very low	38	Very low	67 Å²	67	100 Å²	100	47%	0.469	56%	0.564	S	S	.	*			trans	-77.1	137.7	178.8	53.1	0	0	0	0	111.2	S1312 H1313	S1310-S1312 PolarHBondContact O-N 3.5Å; S1310-S1312 PolarHBondContact OG-OG 2.8Å; S1310-H1313 PolarHBondContact O-N 2.95Å
1311	N	41.5	Very low	38.7	Very low	53 Å²	53	96.3 Å²	96.3	28%	0.283	54%	0.536	S	S	.	.	H	α-helix	trans	-43.5	-35.2	177.6	-85.6	46.8	0	0	0	114.1	E1263 H1313 L1314 S1315	E1263-N1311 PolarHBondContact OE1-ND2 3.08Å; N1311-H1313 VanDerWaalsContact C-N 3.33Å; N1311-H1313 PolarHBondContact O-N 2.88Å; N1311-L1314 PolarHBondContact O-N 3.07Å; N1311-S1315 PolarHBondContact O-N 3.18Å
1312	S	39.9	Very low	39.3	Very low	60 Å²	60	95 Å²	95	42%	0.42	52%	0.516	S	S	.	.	H	α-helix	trans	-49.9	-48.6	177.2	56.3	0	0	0	0	113	S1310 L1314 S1315 D1316	S1310-S1312 PolarHBondContact O-N 3.5Å; S1310-S1312 PolarHBondContact OG-OG 2.8Å; S1312-L1314 VanDerWaalsContact C-N 3.3Å; S1312-L1314 PolarHBondContact O-N 3.13Å; S1312-S1315 WeakPolarHBondContact O-CA 3.4Å; S1312-S1315 WeakPolarHBondContact O-CB 3.25Å; S1312-S1315 PolarHBondContact O-N 2.73Å; S1312-D1316 VanDerWaalsContact O-CG 3.23Å; S1312-D1316 PolarHBondContact O-N 3.5Å; S1312-D1316 VanDerWaalsContact O-OD2 3.14Å
1313	H	46.7	Very low	39.9	Very low	112 Å²	112	97.1 Å²	97.1	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-30.1	-171.9	-84.5	-47.2	0	0	0	113.6	S1310 N1311 Y1317	S1310-H1313 PolarHBondContact O-N 2.95Å; N1311-H1313 VanDerWaalsContact C-N 3.33Å; N1311-H1313 PolarHBondContact O-N 2.88Å; H1313-Y1317 WeakPolarHBondContact O-CB 3.16Å; H1313-Y1317 PolarHBondContact O-N 2.81Å
1314	L	46	Very low	40.6	Very low	32 Å²	32	96.4 Å²	96.4	17%	0.168	51%	0.507	C	S	.	.	H	α-helix	trans	-75.9	-36.1	174	-158.6	79	0	0	0	111.2	Q1197 H1259 N1311 S1312 Y1317 M1318	Q1197-L1314 HydrophobicContact CG-CD2 4.38Å; H1259-L1314 WeakPolarHBondContact CE1-CD2 3.19Å; H1259-L1314 WeakPolarHBondContact NE2-CD2 3.33Å; N1311-L1314 PolarHBondContact O-N 3.07Å; S1312-L1314 VanDerWaalsContact C-N 3.3Å; S1312-L1314 PolarHBondContact O-N 3.13Å; L1314-Y1317 PolarHBondContact O-N 2.7Å; L1314-M1318 HydrophobicContact CG-CG 4.43Å; L1314-M1318 WeakPolarHBondContact O-CB 3.11Å; L1314-M1318 WeakPolarHBondContact O-CG 3.18Å; L1314-M1318 PolarHBondContact O-N 2.97Å
1315	S	45	Very low	40.9	Very low	66 Å²	66	94.6 Å²	94.6	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-48	172.5	-165.6	0	0	0	0	111.2	N1311 S1312 Y1317 M1318 A1319	N1311-S1315 PolarHBondContact O-N 3.18Å; S1312-S1315 WeakPolarHBondContact O-CA 3.4Å; S1312-S1315 WeakPolarHBondContact O-CB 3.25Å; S1312-S1315 PolarHBondContact O-N 2.73Å; S1315-Y1317 VanDerWaalsContact C-N 3.32Å; S1315-Y1317 PolarHBondContact O-N 3.16Å; S1315-M1318 PolarHBondContact O-N 2.93Å; S1315-A1319 VanDerWaalsContact O-CB 3.25Å; S1315-A1319 WeakPolarHBondContact O-CB 3.29Å; S1315-A1319 PolarHBondContact O-N 3.33Å
1316	D	49.3	Very low	41.1	Very low	90 Å²	90	97.2 Å²	97.2	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-37.3	177.3	-59.8	-36.4	0	0	0	112.2	S1312 K1320	S1312-D1316 VanDerWaalsContact O-CG 3.23Å; S1312-D1316 PolarHBondContact O-N 3.5Å; S1312-D1316 VanDerWaalsContact O-OD2 3.14Å; D1316-K1320 WeakPolarHBondContact O-CB 3.47Å; D1316-K1320 PolarHBondContact O-N 2.94Å
1317	Y	48.7	Very low	41.8	Very low	104 Å²	104	97.7 Å²	97.7	41%	0.408	49%	0.492	S	S	.	.	H	α-helix	trans	-71.8	-44.3	177.7	-176.1	-109.3	0	0	0	112.4	H1313 L1314 S1315 A1319 K1320 L1321	H1313-Y1317 WeakPolarHBondContact O-CB 3.16Å; H1313-Y1317 PolarHBondContact O-N 2.81Å; L1314-Y1317 PolarHBondContact O-N 2.7Å; S1315-Y1317 VanDerWaalsContact C-N 3.32Å; S1315-Y1317 PolarHBondContact O-N 3.16Å; Y1317-A1319 VanDerWaalsContact C-N 3.35Å; Y1317-K1320 PolarHBondContact O-N 2.97Å; Y1317-L1321 HydrophobicContact CD1-CD1 3.9Å; Y1317-L1321 HydrophobicContact CE1-CD1 3.45Å; Y1317-L1321 VanDerWaalsContact CE1-CD1 3.45Å; Y1317-L1321 HydrophobicContact CE1-CG 4.23Å; Y1317-L1321 WeakPolarHBondContact O-CG 3.26Å; Y1317-L1321 PolarHBondContact O-N 3.1Å
1318	M	45.5	Very low	42.4	Very low	6 Å²	6	94.8 Å²	94.8	3%	0.03	49%	0.487	C	S	.	.	H	α-helix	trans	-61.8	-42.5	172.8	-70.7	-70.9	-156.6	0	0	111.2	W1200 I1255 L1314 S1315 L1321 H1322	W1200-M1318 HydrophobicContact CD2-CE 3.85Å; W1200-M1318 HydrophobicContact CE3-CE 4.35Å; W1200-M1318 HydrophobicContact CG-CE 4.4Å; W1200-M1318 HydrophobicContact CH2-CE 4.05Å; W1200-M1318 HydrophobicContact CH2-SD 4.26Å; W1200-M1318 HydrophobicContact CZ2-CE 3.49Å; W1200-M1318 VanDerWaalsContact CZ2-CE 3.49Å; W1200-M1318 HydrophobicContact CZ2-SD 3.65Å; W1200-M1318 HydrophobicContact CZ3-CE 4.44Å; I1255-M1318 HydrophobicContact CG2-CE 4.42Å; L1314-M1318 HydrophobicContact CG-CG 4.43Å; L1314-M1318 WeakPolarHBondContact O-CB 3.11Å; L1314-M1318 WeakPolarHBondContact O-CG 3.18Å; L1314-M1318 PolarHBondContact O-N 2.97Å; S1315-M1318 PolarHBondContact O-N 2.93Å; M1318-L1321 PolarHBondContact O-N 3.45Å; M1318-H1322 PolarHBondContact O-CD2 2.81Å; M1318-H1322 VanDerWaalsContact O-CD2 3.24Å; M1318-H1322 PolarHBondContact O-N 2.91Å
1319	A	49.2	Very low	43.2	Very low	51 Å²	51	86.6 Å²	86.6	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-41	176.2	0	0	0	0	0	112.1	S1315 Y1317 H1322 M1323	S1315-A1319 VanDerWaalsContact O-CB 3.25Å; S1315-A1319 WeakPolarHBondContact O-CB 3.29Å; S1315-A1319 PolarHBondContact O-N 3.33Å; Y1317-A1319 VanDerWaalsContact C-N 3.35Å; A1319-H1322 PolarHBondContact O-N 2.8Å; A1319-M1323 WeakPolarHBondContact O-CB 3.05Å; A1319-M1323 WeakPolarHBondContact O-CG 3.33Å; A1319-M1323 PolarHBondContact O-N 3.12Å
1320	K	49.5	Very low	43.6	Very low	116 Å²	116	82 Å²	82	50%	0.504	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-45.6	172.3	-84.5	-173.6	172.7	-179.6	0	112.6	D1316 Y1317 H1322 M1323 D1324	D1316-K1320 WeakPolarHBondContact O-CB 3.47Å; D1316-K1320 PolarHBondContact O-N 2.94Å; Y1317-K1320 PolarHBondContact O-N 2.97Å; K1320-H1322 VanDerWaalsContact C-N 3.3Å; K1320-H1322 PolarHBondContact O-N 3.34Å; K1320-M1323 PolarHBondContact O-N 3.36Å; K1320-M1323 VanDerWaalsContact O-N 3.09Å; K1320-D1324 WeakPolarHBondContact O-CB 3.23Å; K1320-D1324 PolarHBondContact O-N 3.03Å
1321	L	45	Very low	44	Very low	35 Å²	35	82.9 Å²	82.9	18%	0.183	45%	0.446	C	S	.	.	H	α-helix	trans	-59.5	-39.9	176.1	-76.4	175.2	0	0	0	112.4	Y1317 M1318 Q1325	Y1317-L1321 HydrophobicContact CD1-CD1 3.9Å; Y1317-L1321 HydrophobicContact CE1-CD1 3.45Å; Y1317-L1321 VanDerWaalsContact CE1-CD1 3.45Å; Y1317-L1321 HydrophobicContact CE1-CG 4.23Å; Y1317-L1321 WeakPolarHBondContact O-CG 3.26Å; Y1317-L1321 PolarHBondContact O-N 3.1Å; M1318-L1321 PolarHBondContact O-N 3.45Å; L1321-Q1325 WeakPolarHBondContact O-CB 3.21Å; L1321-Q1325 WeakPolarHBondContact O-CG 3.26Å; L1321-Q1325 PolarHBondContact O-N 3.19Å
1322	H	41.8	Very low	44.2	Very low	98 Å²	98	84.9 Å²	84.9	45%	0.454	46%	0.457	S	S	.	.	H	α-helix	trans	-69.3	-31.7	174.3	-80.6	-61.6	0	0	0	113.3	M1318 A1319 K1320 S1326	M1318-H1322 PolarHBondContact O-CD2 2.81Å; M1318-H1322 VanDerWaalsContact O-CD2 3.24Å; M1318-H1322 PolarHBondContact O-N 2.91Å; A1319-H1322 PolarHBondContact O-N 2.8Å; K1320-H1322 VanDerWaalsContact C-N 3.3Å; K1320-H1322 PolarHBondContact O-N 3.34Å; H1322-S1326 WeakPolarHBondContact O-CB 3.35Å; H1322-S1326 PolarHBondContact O-N 2.79Å
1323	M	44.7	Very low	44.5	Very low	142 Å²	142	86.7 Å²	86.7	70%	0.7	46%	0.459	S	S	*	.	H	α-helix	trans	-78.4	-36.7	175.9	-79.8	-170	155	0	0	113.7	A1319 K1320 Q1325 S1326	A1319-M1323 WeakPolarHBondContact O-CB 3.05Å; A1319-M1323 WeakPolarHBondContact O-CG 3.33Å; A1319-M1323 PolarHBondContact O-N 3.12Å; K1320-M1323 PolarHBondContact O-N 3.36Å; K1320-M1323 VanDerWaalsContact O-N 3.09Å; M1323-Q1325 PolarHBondContact O-N 3.19Å; M1323-Q1325 VanDerWaalsContact O-N 3.15Å; M1323-S1326 PolarHBondContact O-N 2.91Å; M1323-S1326 PolarHBondContact O-OG 2.82Å
1324	D	40.7	Very low	44.3	Very low	127 Å²	127	84.8 Å²	84.8	68%	0.679	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.8	175.3	-71.2	-23.8	0	0	0	112.3	K1320	K1320-D1324 WeakPolarHBondContact O-CB 3.23Å; K1320-D1324 PolarHBondContact O-N 3.03Å
1325	Q	37.2	Very low	44.2	Very low	94 Å²	94	89.2 Å²	89.2	44%	0.439	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-2.4	179.2	-68.8	177.1	-0.4	0	0	114.5	L1321 M1323	L1321-Q1325 WeakPolarHBondContact O-CB 3.21Å; L1321-Q1325 WeakPolarHBondContact O-CG 3.26Å; L1321-Q1325 PolarHBondContact O-N 3.19Å; M1323-Q1325 PolarHBondContact O-N 3.19Å; M1323-Q1325 VanDerWaalsContact O-N 3.15Å
1326	S	34.1	Very low	44.1	Very low	141 Å²	141	91.3 Å²	91.3	99%	0.986	48%	0.48	S	S	*	.			trans	-102.6	0	-173.1	70	0	0	0	0	114.6	H1322 M1323	H1322-S1326 WeakPolarHBondContact O-CB 3.35Å; H1322-S1326 PolarHBondContact O-N 2.79Å; M1323-S1326 PolarHBondContact O-N 2.91Å; M1323-S1326 PolarHBondContact O-OG 2.82Å

Retrieved 1,326 of 1,326 residues in 1760.8 ms (Link to these results)

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